#DEFINITION	Reference Metabolome for Stachyurus yunnanensis
#IDENTTFIER	RefMeta-Stachyurus yunnanensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Stachyurus yunnanensis
#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 Stachyurus yunnanensis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97740	0.8
69.98064	1.8
73.02910	1.5
78.62480	0.7
79.05468	1.0
81.55632	0.7
91.05456	2.5
94.04207	1.0
95.04924	0.7
98.22755	1.1
99.06343	0.8
101.17864	0.7
103.05458	6.5
107.61473	0.7
117.07010	1.7
119.04948	2.0
121.06442	1.4
122.03662	1.5
123.08134	0.8
131.04918	15.5
137.05965	22.0
149.05913	1.2
151.07506	13.0
155.60922	0.9
157.06538	1.3
161.05923	1.6
162.06721	2.5
163.07523	41.3
167.08575	0.8
172.51257	0.7
175.07507	3.8
177.09081	100.0
178.09393	0.8
189.09079	3.9
195.10080	1.5
203.10545	0.8
221.06035	1.3
221.09856	1.1
221.11697	29.2
223.07463	0.8
227.10640	2.7
234.42784	0.8
253.08679	1.3
253.12100	1.2
255.10097	2.3
265.08392	0.9
267.10071	0.8
285.11142	1.9
287.12723	4.8
299.12781	1.6
311.12857	0.9
313.14285	3.2
331.15338	22.7
333.96671	0.8
341.27527	0.9
343.15250	1.9
345.16953	2.2
396.34775	0.9
530.49213	0.9
591.33093	1.0
611.12927	1.0
681.47986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	7.4
71.42599	2.1
72.24342	2.1
79.05118	1.5
79.05484	93.6
81.03407	16.8
81.07048	100.0
83.04969	17.5
83.08614	22.2
85.02892	12.4
85.06535	6.5
91.03953	5.4
91.05471	98.6
91.06059	3.1
93.06442	5.0
93.07033	98.0
95.04958	25.7
95.08592	61.8
97.02872	8.0
97.06524	16.3
97.10168	12.9
99.04424	3.3
99.08086	4.4
103.05467	3.3
105.04494	6.9
105.07018	93.0
107.04942	10.6
107.08580	61.8
109.02837	2.8
109.06494	10.3
109.10156	23.8
111.08066	9.3
115.05452	8.2
117.07002	43.1
117.74634	2.1
119.08571	70.5
119.09428	4.2
121.06503	6.6
121.10133	31.3
123.08060	6.3
123.11650	5.2
125.09609	8.8
127.03899	5.7
128.06198	5.7
129.06987	28.1
129.69463	2.2
130.07745	1.9
131.08554	52.1
133.06493	2.4
133.10114	61.6
135.08040	6.5
135.11670	23.6
137.09572	4.4
141.06984	7.7
142.07759	5.9
143.08531	29.0
145.04985	2.7
145.06464	3.0
145.10112	41.1
147.08041	3.6
147.11673	42.7
149.09621	10.2
149.13242	13.1
151.11154	3.7
154.07744	3.1
155.08562	11.9
156.09297	2.3
157.10136	27.9
159.08009	3.2
159.11690	37.3
161.09593	2.8
161.13246	20.2
163.11177	10.3
163.14841	2.1
165.12741	3.6
167.08482	5.9
169.10115	15.8
171.08012	3.0
171.11644	23.1
173.04411	5.2
173.11777	3.9
173.13200	17.0
175.11240	2.9
175.14839	6.2
177.12737	3.4
180.09216	3.3
181.10092	7.3
183.11661	16.6
185.13205	20.2
187.11235	2.3
187.14850	8.4
189.11211	3.4
189.12833	2.5
193.10081	2.4
194.10655	2.2
195.11681	7.5
195.13728	2.9
197.13242	9.5
199.11087	2.7
199.14815	9.4
201.16292	3.2
202.94341	2.2
207.11681	3.7
209.13200	7.7
211.14819	7.1
213.16360	5.3
215.17873	3.8
223.14795	5.7
225.16411	5.1
227.12625	2.8
229.14275	3.4
231.21014	5.2
235.14813	3.2
237.16203	3.7
239.17941	3.8
241.19522	18.0
247.14888	2.2
247.20613	2.6
251.17990	4.0
255.15654	10.7
257.18896	6.6
259.20560	50.1
261.22159	2.8
267.15897	6.6
269.17422	18.3
271.20581	3.0
273.18738	3.4
275.19980	23.7
279.20981	2.6
283.20361	2.8
291.19742	2.7
293.21469	3.1
315.23138	3.8
331.22821	3.6
333.24207	50.2
335.25995	3.8
345.24127	2.6
349.23557	12.6
351.25638	2.4
396.67932	2.2
403.29941	2.6
421.30902	2.9
435.32672	4.9
451.31601	2.7
453.33508	2.3
489.36349	2.6
501.35303	3.3
509.36215	3.7
513.35559	30.7
515.37622	7.5
527.29333	3.0
527.37311	63.6
531.36737	6.1
533.40143	4.4
545.38354	12.0
607.43494	41.8
625.44403	40.4
635.39075	4.1
643.44720	3.8
671.41199	3.9
689.41937	5.3
733.46741	3.1
769.48132	6.6
787.49469	2.8
994.52429	2.3
1002.48590	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	1002.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05000	6.0
73.02911	6.7
76.35293	1.7
77.03943	2.6
79.05484	87.8
81.03426	15.1
81.07049	96.2
83.04976	9.8
83.08611	20.6
85.02898	23.2
85.06542	4.1
91.03974	8.9
91.05472	93.8
93.07035	87.1
95.04970	22.8
95.08597	64.2
97.02880	14.0
97.06516	15.0
97.10145	6.0
98.22685	4.2
99.08100	4.4
100.74680	1.8
103.05445	6.7
104.06249	2.1
105.04510	6.5
105.07020	100.0
107.04969	5.4
107.08586	55.8
109.02884	2.9
109.06498	9.3
109.10135	27.8
111.08055	5.8
115.05459	7.6
116.06226	2.2
117.07017	46.4
119.08564	73.6
121.06533	3.6
121.10127	35.4
123.08052	8.7
123.11714	5.9
125.09631	7.7
127.03912	10.3
128.06207	8.9
129.05515	3.3
129.06989	34.5
130.07793	4.2
131.08553	52.6
131.09448	3.4
133.06480	2.9
133.10123	45.4
135.08066	6.6
135.11684	20.6
137.09593	4.7
137.13272	2.6
141.06985	10.1
142.07785	7.0
143.08553	30.6
145.04941	6.8
145.10118	49.6
146.97899	2.0
147.08009	4.5
147.11670	38.9
149.09630	6.4
149.13232	15.2
151.11205	3.6
153.07034	2.3
154.07765	1.6
155.08554	16.2
156.09268	2.6
157.10098	29.9
159.08037	2.8
159.11673	31.8
161.09627	4.0
161.13223	15.7
163.06065	3.8
163.11156	4.2
163.14810	2.9
165.06947	2.9
167.08592	6.7
168.09326	4.8
169.10095	17.9
171.11646	22.9
173.04474	2.5
173.09744	2.2
173.11787	3.3
173.13226	23.2
175.14825	7.7
177.12735	3.2
179.08624	3.5
179.10782	1.8
179.14407	2.4
180.09320	2.2
181.10095	11.8
183.11693	19.9
185.13264	17.8
187.14812	10.2
189.12776	2.5
189.16451	3.1
192.09380	2.6
193.10217	3.2
195.11699	11.8
195.13647	3.5
197.13251	13.8
199.11203	3.4
199.14772	9.7
201.16373	6.1
203.14259	3.0
207.11626	4.1
209.13155	10.4
211.14842	10.4
213.12762	1.9
213.16396	5.8
217.15991	1.9
221.13268	3.9
223.14821	7.2
224.94029	1.7
225.16338	5.5
227.12627	2.7
227.18005	2.5
229.14313	3.5
229.19510	2.8
231.20955	3.2
235.14920	4.4
237.16461	3.8
239.14246	2.0
239.17975	5.5
241.19624	9.6
249.16440	2.4
251.18005	3.0
253.19698	3.1
255.17470	2.7
257.19034	8.0
259.20569	27.4
260.20911	1.9
263.17941	2.4
265.19644	2.2
269.17374	9.3
275.20016	7.1
277.21790	2.8
281.18863	2.1
283.20560	2.7
291.19565	2.2
297.22067	3.3
299.23926	1.9
313.21411	4.1
315.23199	5.5
329.24734	2.2
331.22897	1.9
333.24194	23.6
335.25711	6.0
337.25281	2.9
339.23105	2.1
349.23767	7.0
351.25940	2.2
406.36328	2.3
421.30884	3.7
435.32587	5.5
453.33759	3.9
471.34702	2.3
499.38727	2.2
501.36020	2.1
513.35681	7.1
515.37482	3.8
517.40137	7.6
525.35492	4.4
527.37299	21.3
535.41644	3.0
545.38184	4.7
567.39508	2.2
591.43958	6.8
607.43433	10.6
609.45123	64.3
610.44843	3.1
625.44452	9.6
671.41400	1.9
897.34802	2.2
932.18304	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90124	0.5
70.50471	0.5
71.02629	0.5
71.02983	0.5
72.74103	0.5
78.89114	0.4
95.38498	0.5
137.06033	0.7
212.93495	0.5
501.50427	0.6
515.18848	100.0
516.19342	2.8
642.28973	0.5
968.61237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02753	1.7
73.03185	0.9
79.05309	2.4
79.05813	1.1
81.03246	1.6
81.06869	2.3
81.07374	1.0
82.50054	0.6
83.08978	0.5
85.02719	4.0
85.03275	1.0
91.03754	2.5
91.05277	3.3
91.05903	1.2
93.06837	3.7
95.04814	1.0
95.08401	1.9
97.02673	4.1
101.02174	1.6
105.06815	1.9
107.08367	1.6
109.02727	1.1
109.10006	0.8
117.06847	0.6
119.08356	1.4
121.09924	0.7
127.03696	1.4
128.39325	0.6
128.98737	0.5
129.06789	0.9
131.08368	0.8
133.09856	2.0
134.22951	0.5
147.11423	1.3
171.11487	1.2
185.03929	1.5
201.03494	1.0
203.05052	1.2
243.08363	2.6
247.12827	1.5
273.14325	0.6
301.08810	1.2
303.15546	1.0
347.09436	5.9
363.08786	1.9
365.10330	2.1
405.08331	0.7
405.13562	9.3
463.14072	1.6
465.20963	9.7
477.15417	1.1
503.16934	0.7
535.28790	6.1
559.23663	0.9
579.36658	0.7
597.37482	1.2
599.26556	1.0
615.54175	0.6
625.37262	0.8
627.26147	11.9
657.27020	1.3
695.32043	1.1
697.34106	12.3
699.28546	1.2
713.32587	0.8
759.43103	2.7
769.36249	0.8
783.36511	0.7
839.42157	0.6
851.40332	2.0
869.41028	1.3
891.46753	2.0
892.46033	0.7
909.48291	4.2
920.47382	0.9
921.48029	100.0
922.48297	4.4
989.54480	14.3
990.55048	1.1
1007.55255	37.1
1008.55151	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01352	0.4
71.04985	0.5
73.02913	2.1
79.05490	1.9
79.39316	0.2
81.03406	1.1
81.07037	2.2
83.05006	0.4
85.02895	3.2
87.65009	0.2
91.03947	1.7
91.05478	2.0
93.07052	2.2
95.04977	0.7
95.08590	1.3
97.02892	3.2
98.22614	0.6
99.04449	0.5
101.02367	1.1
105.04506	0.3
105.07009	1.7
107.08584	1.5
109.02930	0.5
109.10193	0.5
111.27876	0.3
115.03914	0.4
115.05470	0.3
117.07026	0.5
119.08600	1.1
121.10175	0.8
127.03967	0.9
131.08609	0.5
133.10155	1.0
135.11729	0.4
145.10109	0.6
147.11717	0.5
157.10237	0.3
159.11755	0.5
161.13382	0.3
185.04237	0.9
201.03745	0.3
203.05348	0.6
243.08360	1.5
301.08902	0.4
315.10587	0.4
333.20404	1.3
347.09451	3.0
363.09116	1.1
365.10678	0.5
373.23642	0.6
392.54410	0.3
405.13638	5.7
405.18774	0.4
431.23792	0.4
439.19614	0.3
453.21259	0.7
463.14368	0.9
465.21011	0.4
469.20776	0.3
475.14511	0.3
477.16144	0.3
533.22186	0.4
535.28693	3.8
551.27850	2.3
559.23358	0.4
601.25067	0.4
615.26068	0.3
623.30322	0.4
627.26111	0.4
637.91156	0.3
651.33429	0.3
697.34082	4.3
713.33380	3.1
785.35889	0.6
845.50037	0.4
909.47400	0.4
1007.55328	100.0
1008.55585	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	1007.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	2.2
79.05470	2.4
81.03412	1.1
81.07050	2.3
85.02905	3.6
91.03973	1.4
91.05502	2.0
92.44157	0.4
93.07040	2.3
94.94753	0.4
95.04992	0.8
95.08633	1.2
97.02882	3.6
97.06562	0.8
99.04465	0.8
101.02409	1.5
105.04494	0.5
105.07042	1.3
107.08607	1.2
109.02917	0.5
109.10191	0.7
116.31825	0.4
119.08628	1.1
121.10155	1.0
127.03925	1.3
131.08545	0.5
133.10179	1.0
135.11691	0.6
145.10156	0.8
147.11723	1.1
159.11755	0.6
185.04276	0.7
201.03810	0.5
203.05307	0.9
243.08353	2.4
286.37344	0.4
301.09024	0.5
333.20490	1.6
347.09494	3.0
363.09003	1.0
365.10681	0.8
405.13583	6.1
405.17874	0.5
453.20895	0.9
463.14221	1.0
465.21344	0.6
477.16302	0.6
535.28668	4.7
551.28143	3.0
697.34210	4.8
713.33081	3.3
785.36365	0.6
845.50500	0.7
1004.89563	0.6
1007.55328	100.0
1008.55280	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.0
51.02367	2.8
56.79563	0.8
56.96547	2.0
58.96161	3.7
58.99863	0.8
67.64109	1.1
69.74590	0.9
70.25571	2.1
70.35046	0.9
79.01851	5.2
82.01437	2.1
82.99857	2.6
83.01514	2.7
97.41725	1.1
100.02494	4.6
100.97162	2.2
100.97990	0.8
101.00874	32.4
101.02556	6.4
102.02209	1.9
113.85137	0.8
118.03491	2.0
119.01909	100.0
119.03658	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	101.0601
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
53.03939	2.6
55.01875	0.6
55.05507	100.0
56.05035	1.1
56.05838	1.3
56.96568	0.6
57.03434	11.4
57.07069	0.7
58.96154	1.2
59.04997	52.8
60.04531	2.5
60.05335	0.4
69.33053	2.3
73.06549	15.4
74.06066	1.6
83.04972	12.0
84.04491	0.9
85.02899	3.4
91.75348	0.4
92.90589	0.4
97.83596	0.5
100.98895	0.6
101.06010	23.7
101.07940	1.8
101.11570	0.9
102.05556	1.1
102.06292	0.4
102.09173	1.9
102.12791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0601
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
53.03942	3.5
55.01886	0.3
55.05505	100.0
55.66880	0.3
56.05031	1.1
56.05839	1.6
56.96553	0.6
57.03436	1.0
58.06617	0.3
58.96155	0.5
59.04995	65.5
59.37432	0.3
60.04522	0.9
60.05328	0.8
69.25474	1.5
73.06548	0.5
73.29138	0.3
74.06068	0.6
83.04972	12.3
84.04498	1.4
85.02899	1.8
85.62109	0.3
95.65141	0.3
98.22949	1.1
98.23502	0.3
100.98843	0.3
101.06011	9.1
101.07911	1.6
102.05533	1.0
102.09169	0.8
102.12819	0.4
108.05559	0.3
118.98281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01344	2.7
71.04984	7.4
77.03957	2.0
78.73473	1.7
79.05488	79.2
79.05949	4.0
81.03416	25.8
81.07053	100.0
83.04967	14.7
83.08614	16.7
85.02911	10.2
85.06525	6.2
91.03951	3.6
91.05471	75.2
93.07039	81.0
95.04967	30.7
95.08024	2.9
95.08601	43.7
95.16531	1.5
97.02901	11.1
97.06527	23.9
97.10172	15.0
99.04472	2.1
99.08076	6.2
103.05455	2.5
105.04518	2.3
105.07019	60.9
107.04948	16.5
107.08586	53.1
109.02876	4.4
109.06505	11.7
109.10152	21.8
110.72276	1.9
111.04455	2.9
111.08065	8.1
113.06007	2.0
115.05441	4.9
116.06316	2.2
117.07012	28.2
119.08571	40.3
121.06492	7.9
121.10136	27.4
123.08041	6.6
123.11677	7.3
125.09605	9.5
127.03896	7.1
128.06216	5.8
129.06979	13.5
130.07735	2.1
131.08565	31.9
133.06482	5.0
133.10123	36.1
135.08008	9.0
135.11693	25.3
137.09593	7.5
139.07466	1.9
141.06978	3.6
141.14900	1.7
142.07820	2.5
143.08577	11.2
145.06479	5.3
145.10121	29.7
147.08029	3.9
147.11656	22.3
149.09612	22.8
149.13261	15.7
151.11137	4.1
152.75714	1.8
155.08528	8.0
157.10095	13.1
157.92302	2.3
159.08063	2.3
159.11707	20.3
161.09645	2.9
161.13219	7.7
163.11176	14.9
167.08394	2.0
169.10072	7.5
171.11664	7.1
173.04428	6.0
173.09604	3.8
173.13205	8.3
175.11203	4.6
177.12657	8.6
179.14284	7.3
181.10107	2.3
181.12248	1.7
183.11684	7.9
185.13242	5.7
187.11147	3.2
187.14868	2.5
189.11201	5.4
189.12714	3.1
191.14296	2.8
193.12233	2.4
195.11794	2.5
195.13782	9.8
197.13284	6.2
199.14833	3.3
201.12619	2.4
227.12778	13.5
229.19563	3.6
235.14790	1.7
239.17877	6.1
247.20547	3.3
253.14209	2.3
255.15935	14.4
257.19052	17.6
259.20636	2.2
267.15829	5.9
269.17447	48.1
271.37881	2.1
275.20041	55.5
283.34109	1.9
293.21048	4.7
301.21512	2.1
303.15738	1.8
321.24002	2.9
331.22458	3.9
349.23737	52.6
351.25073	2.0
367.24667	6.9
431.28082	3.3
433.31351	2.8
435.27216	4.0
445.29541	3.8
449.28909	26.0
463.30524	29.2
503.33771	4.6
519.32629	2.7
525.35486	7.3
527.37433	2.2
529.35388	15.6
543.36780	62.5
547.35840	5.5
561.37933	13.1
593.33057	2.9
605.41779	2.0
607.34387	5.8
623.42920	15.3
641.43976	9.6
669.38971	2.4
687.40796	4.7
705.41486	3.0
890.04364	2.2
934.81903	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	8.0
73.02898	3.6
77.03903	3.7
79.05486	78.5
81.03410	20.2
81.06564	5.1
81.07050	100.0
81.68453	2.1
83.04975	16.5
83.08620	18.6
85.02899	9.2
85.06535	5.6
91.05473	78.6
93.07037	74.1
95.04962	26.8
95.08604	42.3
97.02889	8.3
97.06519	23.9
97.10172	11.7
98.23420	2.2
99.04482	3.9
99.08090	4.6
103.05438	2.6
105.04530	5.1
105.07022	56.9
107.04950	15.4
107.08585	55.1
109.02887	3.3
109.06548	11.0
109.10164	19.1
111.04441	2.5
111.08091	7.7
115.05458	4.9
117.07027	26.7
119.08574	38.6
121.06511	7.5
121.10132	28.7
123.08070	5.6
123.11697	4.5
125.09610	10.5
127.03928	8.3
128.06203	5.0
129.05473	2.3
129.06964	13.7
131.08568	31.6
133.06496	4.1
133.10126	35.3
135.08070	6.9
135.11690	26.1
137.09644	6.2
139.11151	2.9
141.06984	3.3
143.08556	12.5
145.06491	2.6
145.10100	30.7
147.08073	4.2
147.11646	19.3
149.09613	20.4
149.13235	17.0
151.11171	2.2
155.08551	6.1
156.09288	2.6
157.10132	9.4
159.11679	23.3
161.09662	4.1
161.13229	6.4
163.11183	14.7
169.10153	6.9
171.08043	2.7
171.11708	9.6
173.04439	4.7
173.09576	3.1
173.13249	10.0
174.35760	2.2
175.11212	3.0
175.14865	2.0
177.12749	8.0
179.14317	4.5
181.10066	2.3
183.07938	2.3
183.11737	4.5
185.13226	3.6
187.11113	2.8
187.14848	3.2
189.11229	5.1
193.10245	3.2
195.11894	3.1
195.13785	10.3
197.13240	4.8
201.12881	3.0
207.11649	2.0
227.12726	12.7
229.14297	4.2
229.19571	3.5
239.17958	3.5
245.13829	2.2
247.20639	3.8
255.15909	15.1
257.19040	16.3
267.15955	7.9
269.17465	59.5
275.17090	3.2
275.20026	47.9
293.21109	3.7
331.22443	3.3
333.24030	2.2
333.50525	2.5
349.23700	58.8
367.24725	11.7
423.26996	3.0
435.27139	4.6
439.26447	2.4
445.29425	3.6
449.28946	32.9
451.31851	2.3
463.30508	45.2
503.33804	4.2
525.35626	6.5
529.35107	15.0
543.28534	3.9
543.36749	72.1
547.36090	5.9
552.95898	2.6
561.37964	10.8
593.32721	3.7
607.34735	6.4
623.43024	11.2
641.44147	9.8
687.40710	4.5
1019.51428	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	1018.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	6.4
71.08646	2.6
72.61866	2.1
78.50778	2.4
79.05485	91.7
80.05827	3.8
81.03416	19.2
81.07051	100.0
81.75373	2.9
82.07405	3.0
83.04963	19.5
83.08617	20.2
85.02900	14.2
85.06551	8.8
91.03950	5.3
91.05473	99.5
93.07040	91.2
95.04964	31.7
95.08600	58.9
97.02887	15.3
97.06512	20.1
97.10164	11.1
98.22707	5.8
99.08070	5.7
102.77773	2.8
103.05466	5.3
105.04528	6.9
105.07021	89.9
107.04904	14.8
107.08588	52.8
109.02904	4.1
109.06519	11.8
109.10137	33.0
111.04427	3.5
111.08089	9.2
115.05454	6.1
116.06219	3.9
117.06999	35.8
119.08571	60.9
119.93553	2.4
121.06525	9.3
121.10130	28.1
123.08067	4.4
123.11714	7.2
125.06021	2.9
125.09645	8.4
127.03960	6.4
128.06238	6.7
129.05518	4.0
129.07008	25.2
130.07779	3.2
131.08551	41.1
133.06435	3.0
133.10114	46.1
134.10539	3.3
135.08060	7.3
135.11679	20.1
137.09612	7.9
139.11171	3.2
141.07008	7.6
142.07790	4.9
143.08539	20.0
145.05029	3.5
145.06454	3.5
145.10114	36.3
147.08028	5.8
147.11670	32.2
149.09631	18.4
149.13271	17.3
151.11147	5.9
155.08572	11.7
157.10109	18.2
159.08041	5.1
159.11658	26.3
161.13243	16.3
163.11157	8.5
163.14737	3.0
165.12723	3.5
165.22356	2.5
167.08536	4.1
169.10132	11.5
171.11710	16.4
173.11855	6.0
173.13145	15.2
175.11162	6.4
175.14783	4.5
177.12764	5.0
179.08499	3.2
179.14301	3.5
181.10141	6.3
183.10202	3.1
183.11685	13.2
185.13246	10.9
187.11211	2.8
187.14786	4.6
189.11177	5.7
189.12723	4.3
193.10146	2.9
195.11824	6.8
195.13860	6.9
197.13283	10.6
199.14793	6.9
201.16331	3.3
209.13196	6.7
211.14845	4.4
217.16046	2.6
223.14886	3.5
227.12762	10.6
229.14212	5.2
239.17943	4.4
241.19455	8.6
253.14224	7.4
254.14456	3.6
255.15742	6.3
257.19022	10.9
259.20535	24.9
267.15945	2.8
269.17471	28.0
273.18573	5.0
275.20013	35.2
276.20337	3.9
291.19476	6.0
293.21048	4.0
309.21667	2.6
315.23236	4.0
331.22952	3.6
333.24207	22.6
335.25876	4.8
347.22864	3.0
349.23734	24.1
367.25085	4.0
421.31180	3.2
449.28610	3.7
453.33685	3.5
463.30725	6.1
513.35828	20.5
515.37231	3.3
525.35431	5.6
527.37317	19.8
529.35767	3.2
543.36719	18.8
607.43695	20.3
623.42841	6.2
625.44684	17.6
641.44208	3.8
995.46735	3.5
1019.50751	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	1018.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01337	2.4
71.04981	6.4
72.73872	1.5
73.02899	5.9
77.03920	3.6
79.05484	83.6
81.03413	18.0
81.07050	93.2
83.04971	13.8
83.08617	14.8
85.02896	29.4
85.06538	4.5
91.03955	8.6
91.05470	100.0
93.07035	88.9
94.86217	1.3
95.04369	1.3
95.04958	28.5
95.08599	58.3
97.02884	19.3
97.06531	16.5
97.10172	7.6
98.09672	1.5
99.04472	2.2
99.08092	6.4
99.15916	1.4
103.05481	4.2
105.04504	6.4
105.07019	83.2
107.04949	9.2
107.08588	50.2
109.02859	4.0
109.06515	9.4
109.10143	21.0
111.04445	1.9
111.08057	8.2
113.06010	2.1
113.09686	2.0
115.05456	6.5
116.06226	2.8
117.07011	43.2
119.06000	1.5
119.08571	64.1
121.06512	7.6
121.10136	33.4
123.08067	8.1
123.11707	6.5
125.09610	5.9
127.03902	10.3
128.06212	7.0
129.05464	5.7
129.06982	25.2
130.07776	4.1
131.08557	45.6
133.06450	3.2
133.10115	50.2
135.08017	7.5
135.11678	20.0
137.06082	1.6
137.09601	4.4
139.11169	3.7
141.06995	9.9
142.07782	4.8
143.08545	23.2
145.04932	10.6
145.06493	1.7
145.10112	36.0
145.11229	2.9
147.08020	4.8
147.11674	34.3
149.09601	15.1
149.13255	17.2
151.11165	4.0
153.07014	3.1
154.07758	2.1
155.08517	11.6
156.09315	2.5
157.10126	25.1
158.10890	1.5
159.07993	1.8
159.10373	1.8
159.11682	34.3
161.09590	5.6
161.13263	13.7
163.06029	2.8
163.11165	8.3
163.14859	3.2
165.08977	1.7
165.12798	2.1
167.08560	5.6
169.10132	15.0
170.10925	1.9
171.11655	21.6
173.04475	2.3
173.11824	2.7
173.13203	16.7
175.11191	3.7
175.14859	5.1
177.12743	6.0
179.08502	3.0
179.14304	4.4
181.10143	6.0
183.11685	15.7
185.13216	14.8
187.11232	2.5
187.14838	6.6
189.12749	3.2
189.16370	2.6
191.14256	2.5
193.10085	3.1
195.11708	8.4
195.13806	7.0
197.13287	9.9
199.14813	9.9
201.12708	1.8
201.16435	4.2
207.11870	2.9
207.13687	3.2
209.13206	4.8
211.14833	7.7
213.16405	3.5
215.17879	1.8
221.13255	3.3
222.73294	1.6
223.14830	4.2
225.11058	2.8
225.16377	4.9
227.12675	2.2
229.14261	1.9
233.13298	1.8
235.14853	3.5
237.16379	3.1
239.17957	5.6
241.19630	9.7
245.19087	1.8
247.20598	2.8
257.19022	9.9
259.20535	25.7
261.22037	2.8
267.15747	2.8
269.17410	17.2
271.20551	1.7
273.18469	3.1
275.20053	20.5
277.21661	2.4
281.17209	3.3
283.20535	2.9
285.22198	2.4
297.21988	2.9
311.23517	2.4
313.21707	2.6
315.23145	4.7
325.21518	2.0
329.24969	2.0
331.22641	2.4
333.24237	20.3
335.25937	6.9
349.23727	10.4
351.26724	1.8
353.24557	2.2
421.30563	1.9
435.32614	6.4
441.56912	1.9
447.31915	2.4
453.33810	3.0
463.30997	2.2
471.34506	2.3
475.30341	3.2
485.32278	1.7
489.35495	2.0
501.35989	2.7
513.35529	4.4
515.37592	4.1
517.39960	4.3
527.37231	19.9
539.36969	3.3
543.36340	2.6
568.29749	1.8
591.43878	3.4
607.43658	7.4
609.45038	42.7
625.44025	6.0
695.57129	1.6
951.11078	1.9
1007.56818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
88.60648	0.7
92.04656	0.7
108.14712	0.7
115.35302	0.8
137.05931	1.2
175.03641	13.1
175.05104	0.8
187.82143	0.9
188.04471	1.2
202.06136	0.7
205.04700	6.0
206.05139	1.0
218.05586	0.8
219.06281	1.4
232.07181	1.1
385.12466	3.5
386.77658	0.8
399.14255	4.8
415.13821	2.0
429.15555	1.2
440.14728	2.5
452.14304	1.0
453.15247	1.4
454.03754	0.8
619.21277	1.9
649.22449	5.3
663.24115	1.4
682.79358	0.9
740.23810	0.9
789.87128	0.9
859.80011	1.0
943.56873	0.9
1029.37012	100.0
1030.36743	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	1029.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
75.29294	0.6
85.04871	0.8
90.00116	0.6
122.61546	0.6
137.05971	0.9
150.05426	0.6
175.03641	17.3
175.05101	0.9
179.46964	0.6
183.64954	0.6
187.93381	0.7
188.04504	1.7
202.06044	1.0
205.04659	6.4
218.05472	0.9
219.06244	1.0
232.07164	0.9
233.33995	0.8
267.07767	0.7
307.30151	0.7
324.41293	0.7
366.36557	0.8
385.12515	4.9
397.12695	0.8
399.14108	5.7
409.12253	0.8
410.13602	1.4
415.13699	1.9
423.14844	0.8
425.12448	0.7
429.15121	1.5
440.14655	2.8
445.30710	0.6
452.14767	0.8
453.15771	1.7
619.20795	1.7
637.23224	1.0
647.19598	0.9
649.22406	6.1
663.24402	1.0
738.37842	0.8
832.29352	0.9
1029.37036	100.0
1030.37061	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.7
51.02367	1.6
53.03942	7.2
56.26605	0.5
58.06590	1.1
58.88414	0.6
60.08152	2.6
60.95850	1.0
62.92982	0.6
66.20374	0.7
69.26264	2.7
77.03918	7.9
81.03393	0.7
95.04958	39.5
95.95645	0.6
96.05316	0.6
98.22926	2.3
102.04684	3.3
103.05458	100.0
104.05799	1.6
104.10729	5.3
104.55482	0.7
105.04507	15.8
111.72424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80602	0.7
51.02375	1.7
53.03945	6.8
55.63901	0.7
56.05008	0.8
58.96378	0.7
59.14999	0.7
60.08154	3.0
60.95855	1.6
61.61084	0.7
62.06317	0.8
62.09064	0.7
69.94342	0.6
70.22660	1.8
77.03922	8.6
77.89404	0.8
95.04959	40.7
96.05328	0.9
97.61668	0.7
98.22854	1.5
102.04647	3.6
103.05460	100.0
104.05808	1.7
104.10738	6.0
105.04513	15.4
111.06662	0.8
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
52.74895	0.1
54.57835	0.1
58.06295	0.2
58.06591	5.1
59.07371	1.5
60.08155	49.4
60.93330	0.1
61.08478	0.4
74.39094	0.1
76.33948	0.1
76.39848	0.1
81.55377	0.1
85.18533	0.1
86.09686	0.2
87.10563	0.1
88.07614	0.2
98.48708	0.1
104.10728	100.0
105.10418	0.1
105.11062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	4.8
59.07378	1.5
60.08158	46.9
61.08493	0.4
71.22516	0.2
85.87231	0.2
98.22797	0.2
104.10732	100.0
105.10435	0.3
105.11056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.4
51.02375	4.4
53.03940	14.8
54.04270	0.3
55.01861	0.9
61.08485	0.3
70.54700	0.4
77.03919	17.5
78.04242	0.2
79.05482	2.0
81.03411	2.4
83.43840	0.2
87.47781	0.2
95.04956	100.0
96.05282	2.5
96.84821	0.2
103.05461	1.5
105.03382	38.4
105.04502	39.9
105.07001	3.6
105.11089	0.6
106.03673	1.1
106.04803	1.0
106.06540	0.5
118.06512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	1.6
53.03946	5.1
62.44296	0.4
64.49754	0.4
65.03930	2.7
70.35332	0.7
77.03925	6.7
79.05485	47.6
80.05853	0.7
87.00820	4.2
87.82029	0.3
95.04958	26.2
102.04686	0.5
103.05460	31.9
104.05756	0.8
105.04522	9.1
105.07018	100.0
106.06641	0.4
106.07355	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.1
51.90988	0.7
53.03933	4.5
69.66083	2.5
77.03912	6.1
78.06641	0.8
79.05482	47.5
87.00802	2.6
95.04955	26.3
96.05251	0.8
98.23347	1.4
103.05453	33.1
104.05808	1.1
105.03399	1.6
105.04498	9.8
105.07015	100.0
106.07368	2.2
111.15166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
75.28817	0.3
98.22829	0.4
104.44706	0.3
119.84128	0.3
148.48494	0.3
167.07159	0.4
175.03656	6.6
175.54291	0.3
203.03258	1.0
204.03986	0.6
205.04712	12.4
218.05463	6.0
219.06374	0.9
226.40981	0.3
231.06387	0.8
232.07051	5.2
248.06743	0.4
249.07399	1.1
261.07388	0.5
287.08746	0.3
299.09180	0.3
409.12534	0.3
415.13602	5.1
415.18234	0.4
427.13870	0.8
429.15189	7.8
429.20651	0.5
437.12244	0.4
439.13879	0.8
440.14578	1.3
441.15363	0.4
452.14383	3.7
453.15305	1.2
465.15317	0.5
466.15906	0.6
511.20059	0.3
635.21252	0.7
649.22418	10.3
651.25671	0.3
661.22791	1.2
663.23755	1.9
679.23541	5.9
693.25458	0.8
862.30017	1.2
1059.38184	100.0
1060.38440	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	1059.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
84.02193	0.2
89.67767	0.2
98.22770	0.2
103.88842	0.2
109.92426	0.2
118.40008	0.2
174.50223	0.2
175.03650	5.3
176.04562	0.5
177.05209	0.3
203.03262	0.5
204.04015	0.3
205.04704	12.3
217.04732	0.4
218.05479	5.9
219.06285	1.1
230.05554	0.3
231.06406	0.6
232.07033	5.1
232.09262	0.3
237.43790	0.2
239.61070	0.2
239.77840	0.2
245.07837	0.4
249.07484	0.8
261.07181	0.3
316.53146	0.2
366.77750	0.2
401.11691	0.3
409.12402	0.3
410.13318	0.3
415.13605	5.1
427.13589	0.4
429.15161	6.6
429.20514	0.4
437.12357	0.3
438.12888	0.5
439.13995	0.5
440.14349	1.3
445.15088	0.3
451.13644	0.4
452.14484	3.4
453.15179	1.6
466.16254	0.6
483.16080	0.3
505.17072	0.2
619.21240	0.3
635.21692	0.6
637.23016	0.2
649.22461	10.7
661.22693	0.7
663.24017	1.5
679.23572	5.6
693.25250	0.7
862.30408	1.9
863.30640	0.6
1037.78687	0.3
1059.38159	100.0
1060.38843	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	1062.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05478	0.4
85.02882	0.9
90.51421	0.4
91.00968	0.4
91.05448	2.4
94.04160	0.4
95.04958	0.6
98.23475	0.6
103.05459	5.3
105.07030	0.9
113.45824	0.4
115.05412	1.3
117.06989	1.6
119.04916	1.3
121.06519	0.7
122.03622	1.2
128.06221	0.6
129.06967	1.2
131.04895	12.9
133.42574	0.4
135.07980	0.9
137.05956	20.1
145.06450	0.7
149.05969	1.1
151.07515	13.6
157.06458	0.8
161.05960	2.8
162.06744	1.5
163.07513	48.4
165.09090	0.5
167.08467	0.6
171.07893	0.6
174.06723	0.5
175.07549	3.0
176.08015	0.4
177.09079	100.0
178.09457	1.0
189.09059	3.8
193.06479	0.5
193.10092	0.5
195.08063	1.7
195.10126	2.2
203.10616	1.0
209.09471	0.6
221.11684	40.4
223.07530	0.8
225.09097	0.9
227.10675	3.0
237.09079	0.5
249.09167	0.4
253.08609	0.9
253.12221	1.5
255.10165	3.6
265.08569	1.4
267.10110	0.8
281.11664	0.9
285.11069	1.9
287.12735	6.3
293.11731	0.8
299.12796	1.5
311.12839	3.0
313.14236	3.7
327.15784	0.7
331.15332	31.1
343.15344	5.2
345.16919	2.5
1080.40430	0.4
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	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01594	0.3
51.02385	1.2
53.03943	5.0
55.01866	1.9
57.79946	0.2
65.03929	0.6
69.34515	0.8
69.34920	0.4
77.03926	4.8
79.05486	16.0
80.05013	2.3
81.03409	0.8
91.05470	3.6
95.04958	21.9
96.04491	0.4
96.05267	0.5
97.92384	0.3
98.22668	0.5
105.04510	9.2
105.07016	1.2
106.06552	0.4
107.04943	100.0
107.08579	0.9
108.04466	1.9
108.05286	2.3
108.08099	0.5
109.06506	0.5
119.06062	0.4
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
52.80826	0.5
53.03945	3.7
54.53779	0.5
55.01865	1.5
64.52866	0.5
65.03939	14.1
67.05501	3.9
69.31687	2.7
77.03920	2.0
79.05485	45.9
80.05013	4.3
80.05815	1.2
81.03385	0.6
91.05472	100.0
92.05793	1.9
92.06263	2.3
95.04964	11.1
98.23448	1.2
103.05455	1.0
105.04522	4.4
105.07018	26.3
106.06585	1.0
106.07342	1.2
107.04943	16.2
107.06054	1.2
107.08583	30.3
108.04491	3.3
108.05177	0.8
108.08139	1.1
108.08874	0.9
109.06509	15.7
110.06840	0.6
119.06051	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03946	0.5
55.01867	0.6
58.78022	0.2
65.03936	12.2
66.04282	0.2
67.05506	2.0
67.30847	0.2
69.40305	0.5
69.40694	0.4
77.03921	0.9
79.05487	16.1
80.05027	0.6
80.05827	0.4
89.03918	0.2
91.05474	100.0
92.05795	2.3
92.06274	3.0
95.04967	2.0
103.05450	0.5
105.04512	0.8
105.07023	27.4
106.07371	0.7
107.04955	2.8
107.08585	31.8
108.04461	0.5
108.08920	0.8
109.06509	16.4
110.06818	0.4
119.06059	10.6
124.05189	0.3
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
50.01582	0.3
51.02370	0.6
53.03942	0.8
55.01865	0.6
55.05486	0.3
56.53913	0.2
56.59243	0.3
63.02347	0.3
65.03937	12.9
66.04285	0.5
67.05503	2.0
67.22009	0.2
69.00223	0.2
69.27003	1.4
77.03910	1.6
79.05486	20.3
79.47305	0.2
80.05022	0.5
80.05794	0.4
91.05473	100.0
92.05787	2.4
92.06261	3.1
95.04960	6.6
103.05504	0.4
103.67139	0.3
105.04528	2.0
105.07021	28.0
106.04170	0.5
106.07343	0.7
107.04945	8.4
107.08583	27.2
108.04479	0.3
108.05253	0.3
108.08916	1.1
109.06511	15.2
110.06818	0.3
119.06059	9.4
120.06377	0.4
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
51.02365	0.2
53.03943	0.6
54.55590	0.2
55.01865	0.3
60.56515	0.2
63.02366	0.4
65.03940	11.2
66.04279	0.3
67.05487	1.0
69.16185	1.0
77.03921	0.4
79.05489	11.9
80.05022	1.1
80.05860	0.3
91.05477	100.0
92.05794	2.4
92.06265	2.5
95.04972	1.6
101.85155	0.2
103.05468	0.6
105.04483	0.6
105.07027	29.8
106.07357	0.9
107.04955	2.4
107.08588	33.1
108.04510	1.2
108.08154	0.4
108.08915	1.3
109.06512	17.7
110.06851	0.6
119.06061	11.8
120.06411	0.3
124.05146	0.2
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	Ethylbenzene
Peak:m/z	Relative Intensity
51.02365	0.6
53.03941	0.9
55.01866	0.5
63.02371	0.3
65.03938	11.9
65.75151	0.3
66.04269	0.3
67.05511	1.7
67.19599	0.2
77.03917	0.6
77.60442	0.3
77.91048	0.2
79.05486	17.6
80.05010	1.3
80.05813	0.5
85.72497	0.3
91.05473	100.0
92.05787	2.3
92.06261	2.6
93.05794	0.4
93.84399	0.3
95.04952	2.3
99.46098	0.3
103.05447	0.6
105.04507	1.1
105.07021	29.3
106.07355	1.0
107.04954	2.6
107.08583	31.4
108.04462	1.0
108.08097	0.9
108.08911	1.1
109.06511	17.3
110.06855	0.7
119.06055	11.0
119.54466	0.2
120.06419	0.5
124.05229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1086.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
76.42239	0.8
79.01855	9.9
81.03405	5.8
85.02926	2.2
85.87309	0.9
91.05473	2.3
95.01327	3.3
95.04983	1.5
97.02889	6.1
101.02385	1.6
103.05457	1.4
107.01318	2.1
107.04960	1.2
121.02893	1.3
125.02337	5.3
131.04897	1.2
133.52217	0.8
143.03386	10.2
147.04388	1.3
153.01816	100.0
153.02893	6.6
154.02164	0.9
157.02882	1.6
159.04431	0.9
163.03995	1.4
169.06540	0.9
171.04407	0.9
173.02284	1.0
175.03938	3.8
177.03268	0.9
185.02345	3.0
185.05968	1.0
187.03932	7.9
191.03391	1.2
197.06027	1.4
199.03955	1.8
201.01927	1.3
203.03355	7.0
205.04857	1.2
213.01814	4.8
213.05449	1.2
215.03416	7.4
217.01344	1.2
219.02678	1.0
221.06044	2.4
225.03716	4.7
227.03397	1.6
229.01181	1.1
231.02855	27.2
231.05009	1.6
235.03960	1.4
237.05440	2.8
239.03496	0.9
241.01349	5.8
241.04903	1.9
243.02823	2.0
243.05035	3.7
245.01021	1.3
247.02313	1.7
249.05542	2.5
251.03432	1.2
253.04941	3.3
255.02795	2.1
255.05055	1.8
257.00803	3.5
257.04340	1.6
259.02350	45.8
261.05667	1.5
265.04968	3.2
267.06573	1.2
269.04388	2.8
271.02350	2.2
273.00333	4.4
273.03882	2.6
275.01703	4.8
276.02567	2.4
277.03378	97.7
278.03687	1.2
279.02859	1.8
279.06366	1.3
281.04364	4.1
283.02353	3.0
285.00354	3.0
285.03876	2.7
287.01849	4.0
289.03024	5.6
293.04395	4.0
295.02332	1.3
295.05615	1.2
297.03992	4.4
299.01825	11.5
300.99750	6.4
301.03394	3.8
302.00525	2.9
303.01309	27.3
303.06418	1.3
305.04425	3.0
307.02341	1.5
307.05853	1.1
309.03922	2.9
311.01828	2.3
311.05475	2.2
313.03348	9.3
315.01306	21.2
315.04907	1.2
317.04272	1.1
321.04059	4.3
323.01831	3.6
323.05429	2.1
324.02420	1.1
325.03412	6.1
326.00748	1.1
327.01337	9.0
327.04935	3.4
328.99243	8.4
329.03021	3.3
331.01190	0.9
333.03906	2.9
335.05396	2.1
337.03384	8.7
339.01315	13.6
339.05038	6.0
340.99091	1.8
341.02844	10.6
343.04678	2.1
345.02371	7.9
347.05679	1.1
349.03491	5.6
351.01157	1.4
351.04889	3.2
352.99030	1.1
353.02884	14.7
355.00662	2.8
355.04587	3.8
357.02338	1.9
359.05682	1.1
361.03168	4.2
362.04147	2.8
363.04074	3.5
365.02811	13.0
365.06680	0.9
367.00665	1.3
367.04517	17.0
369.02228	6.5
369.06332	1.1
373.03391	2.4
374.04242	1.4
375.04358	1.3
376.02231	1.3
377.02814	11.1
379.00629	3.2
379.04767	7.6
381.02274	9.6
381.05978	1.6
383.03845	6.5
385.05783	1.7
387.04031	2.8
389.02853	3.5
391.04395	4.9
393.02002	9.6
395.03989	28.1
396.04413	1.0
397.01556	2.5
397.05969	1.3
399.03357	1.1
401.02850	1.7
403.04608	2.4
405.02216	7.1
407.03943	11.5
409.05539	2.8
411.03427	21.8
415.03790	1.0
419.03995	8.2
421.01331	4.7
423.03287	33.9
424.03772	1.3
429.03647	3.3
431.04385	1.2
433.05206	1.1
435.04065	16.4
437.04941	4.0
439.07138	1.4
441.04547	1.3
443.03928	2.6
447.03378	9.0
449.04855	2.9
451.07141	1.4
453.04581	7.7
459.04187	1.7
461.05014	4.1
465.04501	30.3
471.03677	2.7
477.04437	11.6
479.06329	1.5
481.07657	1.3
483.05658	1.5
489.04471	16.2
495.05215	3.2
499.08688	1.3
507.05591	13.1
513.06549	1.3
517.04156	1.3
525.06592	12.0
526.07440	1.0
543.08002	2.0
555.06067	1.1
561.08685	1.7
579.09558	1.1
587.04486	2.3
599.04706	1.9
617.05377	2.0
659.06494	1.4
677.07178	1.4
695.08301	1.3
713.10596	1.3
721.04327	1.5
749.03314	1.3
1051.12512	1.7
1069.13440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
51.02363	0.3
51.91947	0.2
53.03942	11.1
54.04284	0.3
55.01879	0.3
62.94832	0.2
64.01447	0.2
67.04244	0.3
67.05495	1.7
70.60042	0.3
79.05487	0.4
81.03409	100.0
81.07048	1.0
82.03738	1.9
82.06566	1.0
82.20279	0.2
98.22768	0.2
98.23376	0.3
99.04468	0.3
100.50089	0.2
109.02867	27.7
109.06523	0.4
109.07634	1.9
109.10117	0.4
110.03201	0.7
110.06045	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
53.87070	0.8
54.04277	0.9
55.01862	1.2
55.05516	1.7
65.03930	1.7
67.04236	1.9
67.05496	16.5
68.05007	1.1
69.07064	1.0
79.05482	5.0
80.04540	1.5
80.05008	23.1
81.03410	17.1
81.05347	1.6
81.05788	6.7
81.07041	8.6
82.06579	6.3
86.64426	0.8
91.05478	1.0
94.04182	1.3
108.04470	5.1
109.02878	4.5
109.05253	100.0
109.06497	6.5
109.07625	13.4
109.10133	5.8
110.05358	1.3
110.06046	20.8
114.72485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03940	6.8
53.70462	0.3
55.01866	1.2
55.05503	11.8
65.03931	4.6
67.05495	100.0
68.05830	2.0
69.07060	5.7
69.47217	1.0
79.05042	0.6
79.05485	10.8
80.06259	1.9
81.03409	9.8
81.03897	0.4
81.07046	34.5
82.03771	0.3
82.06571	0.7
82.07375	0.7
91.05476	1.8
94.04182	1.3
94.07799	1.3
105.06984	0.5
107.08581	4.8
109.02874	3.8
109.06497	3.7
109.07641	1.4
109.10139	43.8
110.06032	2.8
110.10465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03943	1.6
55.05509	10.2
55.05783	0.5
56.05838	0.3
65.03939	4.6
67.05500	100.0
68.05832	2.2
69.07061	6.5
70.34422	0.4
79.05486	8.9
80.06271	1.0
81.03411	1.1
81.07050	32.4
82.07384	0.8
91.05476	1.7
94.04170	0.3
94.07820	1.3
95.04969	0.3
97.64332	0.3
105.06990	0.5
107.04930	0.3
107.08591	3.5
109.06517	2.8
109.10149	42.9
110.10475	1.2
119.06114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.68352	0.3
53.03943	1.3
54.35305	0.3
55.05505	10.8
65.03937	4.3
67.05499	100.0
68.05834	1.5
69.07066	6.5
69.41681	1.5
79.05487	9.8
79.05949	0.6
80.06276	1.3
81.03403	0.6
81.07050	32.5
82.07388	0.9
84.19277	0.3
91.05477	1.2
92.63058	0.3
94.07807	1.2
105.07000	0.8
107.08573	3.5
109.06519	2.2
109.10146	42.9
110.10491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
54.59446	0.4
55.05252	0.9
55.05505	10.6
65.03934	4.9
67.05499	100.0
68.05842	2.3
69.07067	6.4
70.77365	0.9
70.77713	0.4
79.05487	14.4
80.06261	0.9
81.03407	11.6
81.07049	33.2
82.06576	1.3
82.07372	0.6
91.05469	3.0
93.60825	0.5
94.04183	2.4
94.07812	0.9
95.04977	0.6
105.07008	0.7
107.04955	0.8
107.08594	4.0
109.02868	2.2
109.06512	10.0
109.07645	2.5
109.10144	43.1
110.06029	4.4
110.10490	1.1
119.06046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03941	3.3
55.01868	0.8
55.05507	10.2
65.03942	4.0
66.04723	0.4
67.05498	100.0
68.05827	1.9
69.07062	5.6
70.02911	0.6
70.03278	0.3
77.03855	0.2
79.05486	10.1
80.06275	1.5
81.03409	5.2
81.07048	32.3
82.06573	0.6
82.07364	0.6
89.38431	0.2
91.05473	1.3
94.04169	0.8
94.07834	1.6
95.04961	0.4
105.07021	0.5
107.05806	0.2
107.08595	3.7
109.02883	2.2
109.06514	3.1
109.07659	1.8
109.10145	41.0
110.06042	3.1
110.10473	1.2
114.84403	0.3
119.05977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01839	5.3
81.03407	2.5
85.02882	1.0
91.05451	0.4
97.02878	2.0
98.22796	0.4
103.05436	0.6
105.81387	0.3
107.01315	1.4
108.87686	0.2
109.02862	3.0
123.00847	0.4
125.02325	2.6
127.03899	2.8
131.04933	0.7
143.03381	6.8
145.02814	0.3
145.04922	0.6
147.04411	0.4
153.01805	94.8
153.02864	4.9
154.02165	0.8
155.79240	0.3
157.02826	0.9
159.04396	0.3
171.02870	3.3
175.03859	0.8
179.03468	0.2
185.02264	0.6
187.03848	2.3
192.14307	0.3
195.04370	0.3
201.01826	0.4
203.03320	1.4
207.02884	0.6
211.03821	0.3
213.01962	1.7
213.03783	0.4
213.05598	0.3
215.03358	1.8
223.03885	1.1
229.01196	0.5
231.02847	8.1
231.05028	0.5
233.04387	0.9
239.03392	0.9
241.01308	1.6
247.02444	0.8
251.03426	1.4
253.04918	0.3
257.00781	0.6
257.04407	0.5
259.02350	13.6
261.04013	1.3
267.02820	2.3
269.04489	0.7
275.01831	1.2
276.02536	0.3
277.03394	37.4
278.03775	0.6
279.02750	1.1
279.05466	1.4
285.00354	0.8
285.03925	0.6
289.03409	1.0
295.02304	3.1
297.03268	0.4
297.06372	3.1
299.01868	0.8
300.99966	0.3
303.01303	10.1
307.02298	2.8
309.04016	0.3
311.01727	0.3
313.03369	2.3
315.01575	1.6
315.07062	9.1
321.02661	0.8
323.01819	15.5
324.02020	0.4
325.03366	1.0
327.01401	0.6
328.99252	0.8
335.01834	1.6
337.03433	0.7
339.01398	0.4
341.02835	3.2
343.04532	0.5
351.01303	15.1
353.02850	0.9
363.01282	6.9
363.63843	0.3
367.04510	0.4
369.02396	0.8
379.00781	46.6
380.01212	0.9
381.02289	1.5
385.05450	0.7
387.03336	3.4
391.00745	4.9
397.01871	0.7
405.04163	0.4
407.00269	72.4
408.00711	1.3
409.01837	1.8
411.03235	0.8
425.01291	2.8
429.04422	1.5
434.99728	2.9
439.03339	0.3
445.01675	0.4
447.05453	0.9
453.00824	100.0
454.01086	2.3
455.02478	0.3
465.00595	0.3
465.06622	0.8
471.01804	1.4
495.01926	0.4
509.03491	0.9
533.03021	1.0
537.02924	8.1
561.02826	2.6
579.03809	1.8
581.06213	0.3
597.04932	0.3
610.80609	0.3
617.07605	1.2
635.08453	0.8
638.41998	0.3
749.06409	1.6
767.07104	3.7
922.43707	0.3
1069.07983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01373	0.4
79.01841	6.9
80.02221	0.2
81.03403	2.6
85.02876	0.5
85.42451	0.2
91.05464	0.6
97.02879	2.4
98.23400	0.5
99.04427	0.4
103.05434	0.6
107.01299	1.6
109.02878	3.9
119.04917	0.4
123.00739	0.4
125.02335	4.0
127.03915	2.0
131.04922	0.5
133.67145	0.2
136.20825	0.3
143.03386	7.6
145.04921	0.3
147.04376	0.5
153.01814	100.0
153.02887	5.8
154.02159	0.8
157.02815	0.9
159.04420	0.5
163.03915	0.3
167.04872	0.4
171.02852	2.6
173.02296	0.5
175.03882	1.2
181.01266	0.4
181.35339	0.2
185.02315	0.9
187.03812	2.5
195.04391	0.6
201.01813	0.7
203.03363	1.7
205.04890	0.6
207.02800	0.4
211.03871	0.5
213.01849	2.2
215.03362	2.5
217.04886	0.4
223.03902	1.0
226.19052	0.2
229.01286	0.5
229.05165	0.3
231.02873	10.1
233.04407	1.6
239.03317	1.2
241.01308	1.7
241.05023	0.6
243.02843	0.5
247.02313	1.3
251.03320	1.4
253.04991	0.3
257.00684	1.2
257.04477	0.5
259.02356	16.6
260.03009	0.4
261.03906	1.3
267.02826	2.5
269.04428	0.8
275.01859	1.5
276.02551	0.3
277.03406	37.4
278.03754	0.4
279.02512	1.3
279.05316	0.6
281.04532	0.3
285.00287	0.9
285.03860	0.7
289.03461	0.5
295.02332	3.0
297.03357	0.5
297.06448	1.8
299.01825	0.7
303.01334	7.8
307.02325	2.9
311.01871	0.5
313.03409	1.6
315.01321	1.1
315.07129	4.2
321.02780	0.4
323.01846	16.7
324.02158	0.4
325.03345	1.5
327.01294	0.4
328.99063	1.1
335.01901	1.8
337.03284	0.4
339.01157	0.5
341.02869	3.0
351.01324	16.3
352.01712	0.5
353.02838	0.8
355.00406	0.3
363.01315	7.2
365.02979	0.3
369.02316	0.6
379.00806	46.4
380.00995	1.0
381.02481	1.0
385.05533	1.0
387.03378	1.6
391.00818	6.1
392.01639	0.3
393.02463	0.5
397.01913	0.5
407.00290	70.0
408.00546	1.7
409.01801	1.7
411.03485	1.1
420.03531	0.3
425.01337	2.6
429.04391	0.8
434.99747	3.5
439.03113	0.3
445.01309	0.3
447.05432	0.5
453.00842	90.7
454.00906	1.4
471.01990	1.5
495.01718	0.4
509.03149	0.8
533.03418	1.1
537.03003	5.5
543.01825	0.3
549.02747	0.4
561.02869	2.1
579.03918	1.5
594.13147	0.3
597.05322	0.5
605.02063	0.5
617.07306	0.8
749.06067	1.2
767.07318	2.6
1069.07947	1.6
1138.36023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0443
Annotation	Resorcinol
Peak:m/z	Relative Intensity
53.03942	1.3
54.47197	1.2
55.01860	4.6
55.05508	12.9
56.05011	1.1
65.03936	31.3
67.05482	1.7
68.02662	6.2
68.05015	1.8
68.59535	1.1
68.99770	4.5
69.03416	9.4
69.04536	1.4
69.07049	3.0
70.06553	2.1
70.95850	2.1
79.01862	1.8
82.06583	1.3
83.04961	7.9
83.06078	2.0
84.08125	2.3
93.03391	6.4
93.04481	2.1
96.02093	11.3
111.04430	100.0
111.05596	5.5
111.06286	2.7
111.09180	2.4
112.03944	3.0
112.07595	13.0
121.04000	3.7
126.08718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01842	6.3
81.03423	1.2
83.01329	2.1
85.02895	1.0
91.05444	0.3
95.01309	0.7
97.02892	1.2
98.22697	0.3
99.38230	0.2
103.05459	0.6
107.01323	1.8
109.02866	1.5
111.00764	0.6
115.05447	2.0
118.47917	0.2
123.00797	1.6
125.02342	2.9
127.03896	1.6
131.04884	1.2
139.00223	2.4
143.03378	5.8
143.04892	0.8
145.02824	0.4
145.06516	0.4
147.04370	0.7
153.01808	54.0
153.02911	4.0
154.02155	0.6
155.04881	0.6
157.01294	0.5
157.02797	0.3
159.04395	1.4
161.02286	0.3
161.05952	0.4
166.99687	0.3
169.01300	1.1
169.06415	0.3
171.02879	0.9
171.04395	4.2
173.02371	0.5
175.03876	0.9
177.01831	0.7
177.05383	0.6
181.02843	0.6
181.06487	0.4
183.04355	0.9
185.00786	1.9
185.02295	0.5
185.05969	0.5
186.01553	0.5
187.03879	3.4
189.01833	0.7
189.05473	0.7
191.03419	0.6
195.04385	0.4
197.02209	0.5
197.06065	0.5
199.03865	6.8
199.05731	0.3
201.01820	0.9
201.05457	0.3
203.03426	1.7
204.04091	0.4
205.01102	0.5
205.04944	0.8
209.02335	0.5
211.03885	1.5
213.01781	0.7
213.05458	1.0
214.02646	0.2
215.03362	5.8
215.05341	0.4
216.84404	0.3
217.01306	0.5
217.04913	1.8
219.02829	0.5
223.03899	0.8
225.01830	0.6
225.05458	0.4
227.03343	6.0
229.01237	1.0
229.04973	1.0
231.02879	4.4
232.03572	0.5
233.04277	1.2
237.01785	0.7
237.05545	0.6
239.03351	1.7
241.01244	0.6
241.04947	1.4
243.02872	8.5
245.00797	0.4
245.04419	2.3
247.02278	1.4
251.03387	1.0
253.01331	0.4
253.04900	1.0
255.02771	5.9
255.05000	12.9
257.00836	1.2
257.04276	1.1
259.02332	5.7
260.03094	3.0
261.03903	10.5
263.03357	0.2
265.01285	0.4
265.04889	0.7
267.02786	1.3
267.06479	0.2
269.04361	2.3
271.02344	10.4
273.00336	1.3
273.03860	7.9
273.06802	0.5
273.84418	0.2
275.01797	2.4
276.02612	0.7
277.03433	2.9
279.02817	1.0
281.00900	0.4
281.04404	1.0
283.02307	6.5
283.05554	0.4
285.00293	0.8
285.03894	1.7
286.01028	0.4
287.01874	3.1
287.05261	0.5
288.02502	0.3
289.03403	7.6
291.01160	0.3
293.04657	0.4
295.02350	1.5
297.03799	3.4
299.01819	23.8
300.02512	0.5
300.99915	1.2
301.03360	20.6
302.00757	1.2
302.03647	0.5
303.01324	5.9
305.02838	1.0
307.02399	1.1
309.03781	0.4
311.01859	0.8
311.05255	0.4
312.99677	0.9
313.03250	5.0
315.01410	6.9
315.04950	1.4
315.83951	0.3
316.02036	0.5
317.02869	4.7
318.82932	0.3
321.02936	0.4
323.01855	3.3
324.02612	0.4
325.03348	2.3
327.01312	10.6
327.04343	0.4
328.99243	5.0
329.02896	0.9
331.00699	0.9
331.04401	0.4
335.01801	0.8
337.03497	1.2
339.01263	1.4
339.05099	0.6
340.98911	0.4
341.02853	3.9
342.03406	0.4
343.00766	0.4
343.04257	1.6
345.02359	100.0
346.02740	1.1
349.03464	0.4
351.01376	1.6
353.02896	4.0
355.00912	0.4
355.04495	0.7
357.02231	0.5
357.06308	0.4
363.03259	1.1
365.02731	1.6
367.00513	0.4
367.04437	1.4
368.01608	0.3
369.02335	5.2
371.03879	1.2
379.00836	3.6
381.02350	4.5
383.03809	0.6
385.05634	2.0
387.03629	0.7
393.02383	1.3
395.04474	0.3
397.01843	5.4
398.02411	0.4
399.03488	1.1
407.00253	3.2
409.01962	1.5
410.02612	0.3
411.03415	4.9
411.08365	0.4
422.99509	0.3
425.01367	1.9
426.02097	1.0
427.02911	42.5
428.03253	0.8
429.04651	1.5
434.99533	0.9
445.03891	3.6
447.05475	1.6
453.00827	73.0
454.00974	1.5
465.06549	0.9
471.01904	22.6
472.02478	0.2
473.51532	0.2
477.00204	0.3
489.02835	0.6
497.03271	0.4
537.03253	0.7
555.03796	0.5
573.05194	4.0
581.05585	2.3
599.06525	1.8
615.05908	0.5
617.07635	1.8
707.04419	0.8
725.06116	5.5
743.06689	0.7
881.03949	0.5
899.05542	0.7
917.06714	1.1
935.07849	1.6
1004.80658	0.3
1051.04944	0.7
1069.07605	2.4
1087.08643	0.8
1104.89807	0.3
1105.10010	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	1122.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01845	7.5
80.52962	0.4
80.62210	0.5
81.03403	2.2
83.01327	2.2
85.02888	1.9
95.01299	0.8
97.02870	1.9
98.23212	1.9
102.93650	0.5
103.05468	0.8
107.01293	2.6
109.02879	1.7
111.00775	0.8
115.05404	2.7
123.00748	2.0
125.02343	4.9
127.03887	1.8
129.42398	0.4
131.04901	1.8
133.06496	0.5
139.00224	3.0
143.03366	7.5
143.04904	1.1
153.01813	86.2
153.02905	5.6
154.02151	0.8
155.04918	1.0
157.02754	0.7
159.04390	2.0
163.03900	0.6
169.01282	1.0
171.02853	1.6
171.04407	5.5
173.02275	0.5
175.03830	0.8
177.01898	1.1
177.05405	0.6
181.02722	0.9
183.04361	0.8
185.00797	3.0
185.02200	0.8
186.01622	0.5
187.03845	4.3
189.01854	0.5
189.05421	1.4
191.03386	1.0
195.04414	0.9
197.02478	0.5
199.03900	7.5
201.01788	1.2
203.03378	2.0
204.04085	0.7
205.01347	0.5
205.04953	1.7
209.02339	1.1
211.03886	2.3
213.01747	0.6
215.03383	7.2
217.01331	0.9
217.04921	1.7
219.02808	0.9
225.01678	0.7
227.03363	8.6
229.01250	1.2
229.04997	1.1
231.02838	3.6
233.04428	1.3
237.01799	0.9
239.03363	2.4
241.01231	0.5
241.04910	1.3
243.02866	11.7
245.00903	1.1
245.04482	3.0
247.02353	1.5
251.03381	0.6
253.01292	0.6
253.05017	1.0
255.02776	6.4
255.04999	23.2
257.00772	1.2
257.04489	1.4
259.02307	5.1
260.03140	3.6
261.03937	12.7
267.02814	1.9
269.00851	0.6
269.04410	2.1
271.02368	11.8
272.03323	0.5
273.00357	1.8
273.03903	8.5
275.01855	2.3
276.02527	0.6
277.03305	2.6
279.02933	0.7
281.00870	0.6
281.04404	0.8
283.02350	7.4
285.00305	1.3
285.03909	1.5
286.00986	0.8
287.01849	3.9
289.03397	9.6
290.03735	0.5
295.02255	1.3
297.00769	0.8
297.03741	3.2
299.01828	23.7
300.02277	0.6
300.99792	1.6
301.03357	21.3
302.00446	1.3
303.01273	5.6
305.03217	2.0
307.02344	1.2
309.03714	0.7
311.01935	0.8
311.05429	0.6
312.99716	0.9
313.03265	5.3
315.01373	7.3
315.04855	1.3
316.01987	0.9
317.02872	5.6
323.01819	3.8
325.03391	2.2
327.01340	10.4
327.04913	0.8
328.99191	5.5
329.02936	1.3
331.00766	4.1
335.01901	0.9
337.03455	1.5
339.01300	2.3
339.04892	0.8
341.02853	4.2
343.04141	2.1
345.02368	100.0
346.02811	1.1
351.01416	2.3
353.02887	4.5
355.00626	0.6
355.04361	1.2
365.02798	1.1
367.00455	0.7
367.04404	1.7
369.02347	6.5
371.03879	1.4
379.00720	4.6
381.02405	5.2
383.03961	0.8
385.05508	2.3
393.02298	1.5
397.01883	5.6
399.03333	2.1
407.00333	4.4
409.01706	1.6
411.03387	5.6
425.01318	2.3
426.02100	1.3
427.02914	54.2
428.03271	0.6
429.04248	2.0
434.99692	1.6
445.04007	8.7
447.05679	2.4
453.00842	86.7
454.01263	2.0
465.06586	3.5
471.01913	28.4
483.07397	0.8
537.02887	0.8
555.04028	0.9
573.05042	14.1
599.06396	1.7
617.07233	1.7
707.04974	1.2
725.06085	10.7
743.07312	4.4
899.04816	0.6
917.06604	2.9
935.06812	1.6
1051.04895	0.5
1069.07935	2.4
1087.07874	1.2
1105.10388	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01842	2.6
81.03398	2.8
83.01335	3.9
85.02871	0.8
89.03896	0.4
90.75919	0.4
91.05438	0.7
95.01274	1.0
97.02899	1.9
98.23488	0.4
99.04401	0.5
101.02411	0.4
103.05405	1.2
107.01270	0.8
109.02312	0.3
109.02857	3.6
111.00739	1.6
115.05440	0.4
119.04892	1.0
120.78837	0.3
123.00752	1.8
125.02287	1.2
127.03889	1.9
129.03296	1.0
131.04877	1.0
139.00252	5.5
143.03372	2.3
145.02869	0.9
145.04921	1.2
147.04404	1.9
153.01814	17.8
153.02942	1.7
157.01273	0.8
157.02785	1.9
159.04330	0.7
161.02295	0.5
163.03819	1.1
166.99736	0.3
169.01332	2.5
171.04355	1.7
173.02339	1.0
175.03835	2.4
177.01796	1.0
181.06377	0.5
185.00743	5.5
185.02278	2.3
185.06035	0.4
186.01489	1.1
187.02316	0.7
187.03860	5.8
189.01810	1.2
191.03348	1.4
199.03889	1.9
201.01730	2.5
203.03362	5.0
204.04132	0.4
205.01169	0.9
213.01808	5.0
213.05321	0.8
214.02525	0.6
215.03343	7.0
215.05316	0.6
217.01332	1.1
219.02846	0.8
223.03816	0.9
227.03166	0.5
229.01241	2.2
229.04802	0.5
231.02844	23.2
232.03366	0.5
235.03859	0.4
237.05464	0.5
239.03349	0.7
241.01274	4.6
241.05008	1.2
243.02864	2.5
244.03348	0.5
245.00688	0.8
246.01468	0.5
247.02303	4.1
251.03447	0.7
253.04863	1.0
257.00751	4.2
257.04449	0.8
259.02347	35.2
260.03143	6.4
261.03918	18.5
267.02737	1.6
269.01566	0.4
269.04410	2.6
271.02271	0.6
273.00211	2.1
275.01834	5.7
276.02695	2.1
276.05319	0.4
277.03391	69.9
278.03702	0.9
279.02765	1.1
281.04437	1.1
283.02435	0.4
285.00266	2.6
285.03793	1.4
286.01102	1.8
287.01849	6.8
287.05139	0.5
289.03348	1.4
291.01559	1.3
293.04245	0.5
295.02341	1.9
296.02905	0.5
297.03857	4.9
299.01834	0.9
300.99713	1.9
301.03226	0.5
302.00522	1.9
303.01312	28.0
305.00568	0.7
307.02261	1.3
309.03812	1.1
311.01932	0.5
311.05353	0.8
312.99667	1.9
313.03369	3.8
314.04114	0.4
315.01285	1.9
315.04910	1.0
317.03094	0.4
320.68582	0.4
321.02310	2.4
323.01816	4.2
325.03391	3.1
327.01251	0.8
327.05093	0.7
328.99246	10.0
329.02728	0.6
331.01001	0.5
335.01987	0.7
337.03293	1.9
339.01260	0.6
339.04971	1.1
341.02917	3.3
341.06659	0.4
342.03586	0.8
343.04446	1.9
345.02298	1.1
347.00314	0.8
351.01373	2.7
353.02908	5.5
355.00739	0.5
355.04468	2.7
357.05972	1.0
361.00052	0.5
363.01193	1.1
365.02811	0.7
367.04446	2.3
369.02341	4.2
370.02823	0.5
371.03903	2.7
379.00735	5.3
380.01657	0.7
381.02328	7.6
381.06870	0.6
382.03076	0.6
383.03943	1.5
385.05545	3.0
387.03412	1.1
393.02362	1.3
397.01791	7.0
397.06665	0.5
398.02432	0.6
399.03406	2.8
401.04980	0.9
407.00262	6.9
409.01685	2.1
410.02451	0.5
411.03421	5.4
425.01254	3.0
426.02179	3.0
427.02905	100.0
428.03238	1.6
429.04483	6.3
434.99747	3.6
437.40030	0.4
444.03302	2.8
444.97797	0.8
445.03940	12.0
447.05609	1.3
453.00830	96.3
454.01096	1.3
465.06476	1.6
471.01895	55.2
472.02637	0.8
489.02966	0.8
513.02887	0.6
535.04095	0.6
579.03491	1.3
597.05005	21.7
615.06036	23.6
633.07086	2.8
697.17944	0.4
767.06769	0.7
881.04272	0.4
899.04913	0.8
917.06396	2.1
928.71344	0.4
935.07727	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	1122.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01845	3.5
80.62491	0.3
81.03402	2.8
83.01341	4.4
85.02860	0.7
91.05447	0.5
95.01278	0.6
95.04957	0.4
97.02880	1.9
99.04419	0.8
101.02321	0.4
103.05434	1.5
107.01311	0.8
108.73520	0.4
109.02872	4.3
111.00748	1.4
113.02278	0.6
115.05460	0.5
119.04905	0.7
123.00737	1.3
125.02306	1.5
127.03925	2.7
129.03310	1.1
131.04887	1.5
137.02310	0.4
138.99283	0.5
139.00253	5.8
143.03375	2.1
145.02838	0.6
145.04895	0.7
147.04344	1.8
153.01816	21.0
153.02936	2.0
157.01302	1.3
157.02817	1.9
157.06372	0.4
159.04370	0.9
161.02283	0.7
163.03876	0.6
169.01332	2.2
171.04346	1.8
173.02315	0.7
174.03038	0.5
175.03889	2.9
177.01796	0.9
185.00760	6.2
185.02307	2.2
186.01492	0.8
187.02342	0.6
187.03859	6.1
189.01785	1.3
191.03349	1.5
195.04425	0.6
199.03903	1.8
201.01790	2.5
202.02567	0.3
203.03352	5.4
204.04056	1.0
205.01247	1.2
207.02876	0.4
209.05902	0.5
211.03909	0.4
213.01846	4.5
213.05373	0.7
215.03368	7.5
216.47272	0.3
217.01231	1.1
219.02815	1.1
223.03938	0.8
225.05402	0.6
229.01329	2.8
229.04935	0.5
230.01945	0.5
231.02850	25.9
232.03542	0.6
237.05376	0.8
239.03386	0.6
241.01292	4.8
241.04935	1.4
243.02803	4.2
245.00650	0.8
246.01529	0.6
247.02336	3.8
251.03362	1.3
253.04904	0.9
257.00742	4.1
257.04376	0.8
258.01651	0.7
259.02350	36.0
260.00342	0.5
260.03104	7.6
261.03915	16.9
265.04871	0.6
267.02850	1.1
269.00827	0.4
269.04373	2.3
271.02216	0.5
273.00293	2.5
275.01804	6.2
276.02524	2.1
277.03394	68.3
278.03760	0.5
279.02835	1.1
281.04343	1.2
283.02380	0.6
283.05844	0.4
285.00247	2.2
285.03802	1.9
286.01028	2.0
287.01807	8.1
287.04962	0.7
289.03378	1.3
291.01364	1.0
295.02386	2.3
296.03009	0.4
297.03799	5.0
299.01846	0.9
299.05420	0.5
300.99814	2.4
301.02878	0.5
302.00565	2.3
303.01306	26.2
304.01740	0.6
305.00690	0.9
307.02246	1.8
309.03961	1.2
311.05362	0.6
312.99692	1.6
313.03360	4.0
315.01508	2.4
315.04663	0.7
321.02133	2.3
323.01794	4.8
325.03409	3.1
326.04480	0.4
327.01431	0.6
327.04971	1.0
328.99228	9.1
329.02774	1.1
335.01498	0.7
336.99890	0.4
337.03516	2.3
339.01221	1.4
339.05075	0.9
341.02893	4.0
342.03638	0.8
343.04391	2.4
345.02328	1.3
351.01370	3.0
352.02130	0.4
353.02881	5.8
355.00674	1.1
355.04514	2.1
357.05872	1.3
363.01416	1.2
365.02911	1.5
367.04611	2.0
368.01431	0.4
369.02292	4.4
370.03241	0.7
371.04153	2.5
376.65671	0.4
379.00781	5.7
380.01260	0.8
381.02359	8.1
383.04053	2.3
385.05740	3.2
387.03491	1.1
393.02438	1.1
397.01764	6.8
398.02621	0.7
399.03500	2.6
401.05045	1.7
407.00241	7.1
409.01791	3.8
410.02261	0.8
411.03336	5.5
425.01285	2.2
426.02066	2.3
427.02921	100.0
428.03363	1.4
429.04407	5.5
434.99838	3.3
437.01364	0.5
443.02628	0.4
444.03186	3.0
445.03983	11.2
447.05551	1.5
453.00833	98.5
454.01254	1.5
465.06494	1.7
471.01907	51.3
472.02182	0.5
472.55383	0.4
489.03226	1.0
517.03998	0.4
535.05078	0.6
579.04211	0.8
597.05017	21.4
615.06061	21.3
615.14417	0.5
623.14203	0.4
633.07196	2.1
760.81561	0.4
767.07288	0.8
899.05176	1.0
917.06061	2.0
935.07739	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64612	0.3
60.57885	0.3
65.03924	1.2
70.06593	4.9
70.37969	0.4
71.42578	0.3
80.05791	0.4
80.98855	0.4
89.03909	4.6
89.52476	0.3
97.02856	0.6
115.05443	100.0
115.09464	1.9
116.05745	3.6
116.07043	0.4
134.64987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77623	0.4
55.01844	0.5
55.05490	0.5
55.53324	0.3
63.02379	0.8
65.03931	1.1
69.03410	1.0
70.06582	6.0
70.07372	0.5
70.67455	0.7
74.93781	0.4
89.03905	3.8
92.91900	0.4
94.43307	0.4
97.02896	0.6
115.05442	100.0
115.09477	3.0
116.05798	3.5
116.07034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0756
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.03951	1.8
54.27905	0.3
55.01870	1.1
55.05507	62.3
56.05849	0.8
57.03431	0.4
59.04997	3.6
67.02999	0.3
69.03428	1.8
69.07062	5.3
70.06586	3.8
70.14706	0.4
70.15028	0.6
73.06548	100.0
73.93838	0.3
74.06886	1.6
74.93812	1.0
78.96239	0.3
80.05827	0.3
83.04975	4.5
97.02905	0.4
97.06508	0.9
97.08465	0.3
98.22755	0.4
106.51362	0.3
115.03896	0.3
115.05449	3.6
115.07560	6.2
115.08779	0.4
115.09472	2.0
116.06233	0.3
116.07066	0.6
117.55394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0756
Annotation	gamma-Caprolactone
Peak:m/z	Relative Intensity
53.03934	0.3
55.05508	10.0
55.05779	0.5
57.03443	0.5
59.04996	100.0
60.05333	1.1
61.46201	0.3
64.66583	0.2
65.99011	0.3
69.03423	1.5
69.07065	2.5
69.84065	0.5
69.84446	0.8
70.06587	2.2
70.07394	0.3
72.93783	0.3
73.06549	10.0
73.93846	0.3
74.93849	0.7
83.04975	0.9
85.02911	0.7
87.08107	1.2
97.02883	0.9
97.06528	0.5
112.03502	0.2
115.05444	1.5
115.07559	15.0
115.09495	1.1
116.07078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	1-AMINOCYCLOBUTANE CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03938	0.5
55.01877	0.4
55.05510	3.0
55.05772	0.3
56.05032	3.4
56.96566	1.0
57.93566	0.5
63.56815	0.2
68.05019	2.3
69.03419	2.5
70.03764	0.6
70.06589	100.0
71.04989	1.1
71.06918	1.4
71.40196	0.3
72.04504	0.7
72.05618	0.2
74.02440	0.3
74.06055	0.5
74.93822	4.4
74.94214	0.4
79.91290	0.2
80.05032	0.7
81.03416	1.4
84.04505	3.0
87.04538	0.2
88.07633	0.4
92.94860	1.9
95.97600	0.2
98.03214	0.6
98.06056	1.9
98.07169	1.1
98.09689	0.8
98.23268	0.2
98.97605	0.6
99.04469	0.7
101.05232	0.2
110.95860	0.2
115.96465	0.4
116.07088	8.3
116.08185	0.6
116.10733	0.8
116.97252	0.4
116.98621	0.8
117.05532	0.3
117.07455	0.2
120.01987	1.0
121.01659	0.6
134.03029	0.4
134.04706	0.2
134.99669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39575	4.8
52.08947	4.4
56.96315	6.9
56.96560	62.8
58.95412	40.0
62.03666	5.0
70.16931	10.7
74.93150	6.8
76.92871	28.6
76.93259	4.3
89.79134	5.4
97.36623	5.2
98.23478	5.6
98.97578	100.0
107.69726	5.3
116.98617	59.1
117.99035	14.9
118.03497	6.6
134.99635	27.2
136.00104	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01602	1.1
51.02365	4.8
53.03942	18.9
55.01874	0.9
58.06604	1.3
65.03934	2.3
69.12341	4.7
72.08142	1.7
77.03925	12.8
78.04714	1.1
79.05489	5.3
81.03426	1.1
83.99649	0.8
84.93436	1.1
91.05472	78.0
92.05804	4.4
93.07034	2.6
95.04960	100.0
96.05305	2.4
98.23474	1.3
101.67455	0.9
103.05446	5.0
104.06245	6.8
105.04504	41.1
106.04829	1.0
107.35488	0.8
115.05460	3.3
116.05761	8.7
117.07014	20.3
118.06540	61.6
118.07355	13.6
118.08640	2.4
119.06069	2.6
119.06843	1.6
119.08567	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01593	0.8
51.02373	4.8
53.03942	18.5
55.01865	1.1
55.05487	0.7
56.66440	0.8
58.06586	2.3
59.48288	0.6
64.88100	0.6
72.08133	3.5
72.55794	0.8
76.93365	1.6
77.03918	12.7
81.03426	2.0
87.10036	0.6
89.39387	0.7
91.05463	9.6
91.74869	0.6
94.94424	0.8
95.04955	100.0
96.05290	2.2
105.04501	36.8
106.04808	1.0
117.07021	1.5
118.06527	61.2
118.08646	2.7
119.04881	0.9
119.06068	2.3
119.06873	2.1
119.08553	4.3
130.09483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02375	4.1
53.03945	20.3
54.60593	1.2
64.97408	1.2
65.03925	1.7
71.88732	1.3
77.03928	24.0
78.04742	1.5
78.66125	1.2
79.05512	2.6
90.04713	1.6
91.05473	39.2
92.05795	6.4
93.07051	1.5
95.04960	100.0
96.05287	1.7
103.05481	7.1
104.06262	2.7
105.04505	43.7
115.05447	4.9
116.05770	11.2
117.07021	41.3
118.06547	65.6
118.07356	8.7
119.08569	29.8
133.27075	1.4
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
51.02378	4.6
51.66880	0.7
53.03699	1.2
53.03941	18.9
53.25360	0.9
55.01870	0.8
55.05492	0.9
65.03915	0.9
66.94850	0.7
69.29237	4.7
72.08123	2.0
77.03917	14.9
78.04674	1.0
81.03398	1.7
91.05472	18.8
93.07048	1.4
95.04958	100.0
96.05332	1.5
103.05465	2.1
104.06224	1.5
105.04507	39.9
106.04872	1.2
115.05474	1.0
116.05788	0.9
117.07014	4.9
118.06532	63.7
119.06103	1.2
119.06875	1.9
119.08565	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	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02373	4.8
53.03942	18.5
55.01865	1.1
55.05487	0.7
56.66440	0.8
58.06586	2.3
59.48288	0.6
64.88100	0.6
72.08133	3.5
72.55794	0.8
76.93365	1.6
77.03918	12.7
81.03426	2.0
87.10036	0.6
89.39387	0.7
91.05463	9.6
91.74869	0.6
94.94424	0.8
95.04955	100.0
96.05290	2.2
105.04501	36.8
106.04808	1.0
117.07021	1.5
118.06527	61.2
118.08646	2.7
119.04881	0.9
119.06068	2.3
119.06873	2.1
119.08553	4.3
130.09483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
95.91823	0.1
175.03712	0.1
189.05283	0.4
269.54602	0.1
326.96072	0.1
361.10559	0.2
363.08282	0.3
375.08200	0.8
377.09818	0.4
378.10678	1.1
390.10812	0.9
391.11719	0.2
393.09317	2.6
407.11237	0.2
408.11765	3.9
409.13095	0.1
575.18945	0.3
605.19830	100.0
606.20197	1.3
898.68652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74333	3.8
63.10223	3.9
69.69919	11.8
91.05483	25.0
93.91109	3.3
101.00867	19.0
101.80494	3.5
106.92542	4.2
117.61559	3.5
119.01912	100.0
119.06093	11.9
119.08557	7.6
120.02016	5.2
120.04456	3.9
120.05594	4.8
137.02951	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74333	3.8
63.10223	3.9
69.69919	11.8
91.05483	25.0
93.91109	3.3
101.00867	19.0
101.80494	3.5
106.92542	4.2
117.61559	3.5
119.01912	100.0
119.06093	11.9
119.08557	7.6
120.02016	5.2
120.04456	3.9
120.05594	4.8
137.02951	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54623	3.1
56.96563	7.4
58.06588	4.7
61.02914	3.6
65.03951	7.5
69.35258	16.5
73.08468	4.8
74.06070	8.3
79.05481	3.0
87.00845	4.4
91.05478	82.3
92.04996	6.5
92.31689	3.5
101.00881	12.8
102.09212	5.4
116.05765	3.6
117.06998	5.2
119.01908	100.0
119.04913	7.0
119.06035	15.4
119.08567	9.4
120.02014	9.3
120.04433	4.8
120.05602	13.8
120.08125	7.5
137.02951	51.4
138.03084	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54623	3.1
56.96563	7.4
58.06588	4.7
61.02914	3.6
65.03951	7.5
69.35258	16.5
73.08468	4.8
74.06070	8.3
79.05481	3.0
87.00845	4.4
91.05478	82.3
92.04996	6.5
92.31689	3.5
101.00881	12.8
102.09212	5.4
116.05765	3.6
117.06998	5.2
119.01908	100.0
119.04913	7.0
119.06035	15.4
119.08567	9.4
120.02014	9.3
120.04433	4.8
120.05602	13.8
120.08125	7.5
137.02951	51.4
138.03084	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03939	1.4
54.47150	0.5
55.05505	0.6
59.04994	0.8
65.03940	5.5
77.03917	1.1
78.04702	1.0
79.05489	7.1
88.01075	0.4
91.05470	100.0
92.05034	0.6
92.05802	2.9
93.07034	5.5
95.04959	6.4
96.05302	1.6
102.04707	0.5
103.05455	11.8
104.06242	11.7
105.04501	1.9
106.04814	0.6
109.06517	1.5
115.05450	5.4
115.33788	0.4
117.07011	23.5
118.07355	1.0
119.04940	3.6
119.06213	2.4
119.08567	94.5
120.04457	0.5
120.05570	1.4
120.06532	0.4
120.08089	2.1
120.08907	3.1
121.06478	0.4
121.10591	0.5
123.10341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02370	0.4
53.03940	0.5
65.03931	2.3
67.05506	0.6
69.27634	1.2
77.03931	0.8
78.04704	0.7
79.05126	0.2
79.05488	7.9
91.05473	100.0
91.17973	0.2
92.05796	2.9
93.06512	0.4
93.07035	3.8
95.04401	0.4
95.04958	4.1
96.05315	0.3
102.04715	0.2
102.09168	0.2
103.05458	7.8
104.05577	0.3
104.06245	7.1
105.04513	1.5
106.04784	0.3
109.06458	1.0
113.20498	0.3
115.05447	4.6
117.07011	23.8
118.06599	0.2
118.07298	1.1
118.46575	0.2
119.06189	1.3
119.08569	56.7
120.05582	0.5
120.08881	2.9
121.06472	0.4
131.06033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
56.15646	0.2
63.87683	0.2
65.03933	2.7
67.05497	0.5
74.18400	0.2
77.03902	0.4
78.04686	0.8
79.05486	8.0
91.05471	100.0
92.05794	2.4
92.06274	0.2
93.07032	4.1
95.04958	3.5
96.05310	0.4
103.05456	7.7
104.05573	0.4
104.06239	7.2
105.04511	1.1
105.06578	0.2
106.04810	0.3
109.06513	0.9
115.05446	4.8
117.07007	25.3
118.07333	0.8
119.04927	0.6
119.06063	1.5
119.08565	53.3
120.04546	0.2
120.05550	0.5
120.08086	0.6
120.08871	2.4
121.06464	0.6
131.06067	0.4
131.48668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02370	0.5
51.51180	0.2
53.03935	0.9
58.86279	0.2
65.03930	3.3
67.05492	0.4
77.03914	1.7
78.04705	1.2
79.05487	6.7
87.36597	0.2
91.05471	100.0
92.05804	3.4
93.07036	6.8
95.04957	5.6
96.05293	0.5
102.04639	0.4
103.05457	15.9
104.06244	13.2
104.06815	0.2
105.04510	2.4
105.07088	0.3
109.06505	1.3
109.07130	0.2
115.05447	8.5
117.07007	45.4
118.07334	1.6
119.06078	1.5
119.08566	89.8
120.08880	3.2
121.06497	1.1
131.06068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03946	1.1
65.03933	3.4
68.95297	0.4
78.04715	1.3
79.05489	6.6
80.05795	0.5
91.05474	100.0
91.49916	0.4
92.04936	0.4
92.05822	2.8
93.07046	4.6
95.04969	4.8
96.05312	2.2
103.05462	10.2
104.06249	8.8
105.04511	2.5
106.04859	0.9
109.06534	0.7
115.05443	5.0
117.07008	24.0
118.07330	0.5
119.06054	3.4
119.06863	2.1
119.08569	51.8
120.04568	0.7
120.05565	2.1
120.08081	2.6
120.08924	2.2
120.10117	0.5
120.35694	0.4
121.06506	0.7
131.06099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03939	1.6
55.31459	0.5
56.97123	0.6
65.03935	3.7
67.05504	0.6
67.11469	0.7
69.47507	2.5
75.87910	0.6
77.03921	1.7
78.04700	1.2
79.05492	8.5
91.05472	100.0
92.05794	3.0
93.07040	6.9
95.04977	5.9
98.23384	0.7
103.05463	11.5
104.06249	12.7
105.04510	2.1
109.06502	0.7
115.05442	6.2
117.07010	22.6
118.07334	0.6
119.04928	1.2
119.06081	1.5
119.08569	95.9
120.08110	1.2
120.08916	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84356	0.6
51.02394	0.7
53.03948	1.7
55.41760	0.6
60.52575	0.6
61.95825	0.7
65.03927	4.1
67.05501	0.8
69.91943	0.5
69.92282	1.4
73.65118	0.6
73.84893	0.6
77.03906	1.8
78.04282	0.6
78.04699	1.3
79.05487	8.8
83.40376	0.6
86.73549	0.5
91.05471	100.0
92.05807	2.6
93.07037	5.5
95.04966	5.6
96.05293	1.2
102.04686	0.6
103.05460	13.9
104.06249	13.5
105.04495	2.1
109.06450	0.8
115.05444	6.8
117.06168	1.2
117.07008	24.9
118.07345	0.8
119.08565	97.2
119.61990	0.6
120.05692	0.7
120.08136	0.7
120.08894	4.0
121.06483	0.8
131.06000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
133.10172	0.1
137.05988	0.2
173.88899	0.1
176.04480	0.1
177.05223	0.2
179.29247	0.2
219.06351	0.2
260.87817	0.1
287.35611	0.1
290.72824	0.1
325.10474	0.2
343.11752	0.2
367.11554	0.2
395.10956	3.8
401.01382	0.1
409.12552	0.4
410.13290	13.2
411.13895	0.3
423.13913	0.2
451.16074	0.4
559.19208	0.2
592.18994	0.2
605.19543	0.2
606.19849	0.2
607.21368	100.0
608.21735	1.9
609.21802	0.3
741.96033	0.1
1191.41028	0.3
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
53.03936	0.9
65.03945	0.7
66.72073	0.4
70.91901	0.7
77.03907	2.3
79.05481	0.9
80.05012	0.4
84.32119	0.4
91.05470	9.3
92.04963	0.4
92.05808	1.2
93.05798	0.5
93.07035	14.6
95.04952	6.7
102.04679	0.7
103.05459	84.2
104.05786	2.8
105.04501	2.4
118.06536	1.6
119.07314	1.5
120.08092	100.0
121.02863	0.5
121.06551	0.6
121.08425	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01585	0.4
51.02374	1.3
53.03938	3.5
55.01867	1.2
55.05509	2.0
65.03935	40.0
66.04257	0.7
67.05488	2.1
70.05374	0.8
77.03925	5.8
78.04253	0.7
78.04708	16.1
79.05486	18.4
80.05798	0.6
81.03395	0.8
81.07053	0.7
91.05473	100.0
92.05797	3.5
93.03405	3.9
93.07035	24.5
94.06531	0.4
94.07379	0.7
95.04961	23.0
101.31549	0.4
103.05459	6.4
105.03417	0.6
105.04509	8.9
105.07021	27.0
106.04171	6.7
106.04836	0.5
106.07864	2.0
107.07327	4.6
109.06496	1.3
111.04438	4.3
119.06054	0.7
119.08555	3.9
121.01940	0.7
121.02852	26.8
121.03967	6.8
121.06497	48.5
121.10130	16.6
122.03181	1.1
122.06833	1.7
122.09663	4.9
122.10440	0.9
123.08065	2.8
123.15799	0.5
133.07587	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01598	0.8
51.02372	0.9
52.60678	0.4
53.03939	3.0
55.01867	0.7
55.05505	1.3
57.50599	0.4
59.87687	0.3
63.02367	0.4
65.03936	46.6
66.04272	1.1
67.05507	1.1
69.60463	1.2
77.03940	3.4
78.04250	0.8
78.04707	15.3
79.05486	10.2
81.03419	0.7
81.07056	0.6
89.03902	0.4
91.05473	100.0
92.05824	3.8
93.03398	6.3
93.07037	14.0
95.04959	21.6
96.05312	0.4
98.03695	0.5
98.23430	0.8
103.05465	3.5
105.03392	0.5
105.04512	7.2
105.07020	14.4
105.07733	0.7
106.04166	8.1
106.07831	0.8
107.07320	2.0
109.06522	1.4
111.03683	0.4
111.04433	7.0
119.06044	1.0
119.08553	2.5
121.02862	43.1
121.03975	11.3
121.06493	54.6
121.10136	9.2
122.03192	1.8
122.04283	0.4
122.06083	0.4
122.06842	1.6
122.09656	2.6
122.10436	0.5
123.08051	1.4
133.07597	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02371	1.8
52.00938	0.6
53.03936	4.3
54.08272	0.5
55.01919	0.5
55.05505	4.9
65.03934	3.8
65.71156	0.6
66.81614	0.7
67.05499	2.6
67.26270	0.6
70.94374	0.6
71.42553	0.8
71.42948	0.6
77.03908	3.7
78.04680	0.7
79.05486	47.8
80.05828	1.2
80.06264	0.8
81.07050	2.4
84.71893	0.6
91.05473	29.4
92.05811	0.8
92.16650	0.7
93.07037	48.0
94.04178	0.7
94.07373	1.0
95.04351	0.8
95.04964	23.4
103.05463	19.2
105.04522	10.2
105.07021	100.0
106.07230	1.4
106.07893	6.1
107.07341	3.3
107.08002	0.5
111.04456	0.6
119.08569	14.9
119.48598	0.5
121.02859	2.9
121.03983	1.1
121.06509	9.1
121.07376	1.1
121.10134	51.4
122.06048	1.2
122.09657	5.1
122.10474	2.0
123.08064	11.2
123.08895	1.0
125.68580	0.6
129.96223	0.6
133.07599	7.9
134.95352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02365	2.2
53.03939	6.2
55.01873	1.0
55.05512	7.6
55.05914	0.8
65.03943	7.7
65.72472	0.8
67.05487	3.0
77.03925	8.6
78.04684	1.3
79.05486	67.6
80.05820	1.3
80.06267	1.3
81.07047	4.2
91.05473	51.5
92.05788	1.0
93.07037	87.6
94.07378	2.3
95.04959	31.1
95.16792	0.9
103.05461	21.2
103.06106	1.8
105.04510	14.0
105.07019	100.0
106.07861	7.2
107.07317	11.0
109.92347	0.9
111.04418	0.9
119.08574	14.3
121.02853	4.9
121.03980	3.2
121.06525	9.1
121.07402	1.3
121.10133	59.2
122.09649	10.7
122.10490	2.8
123.08054	9.4
133.07625	7.5
137.18935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02364	0.9
53.03946	6.9
55.01869	1.3
55.05503	10.4
56.72142	0.7
57.07074	3.8
65.03929	4.7
67.05505	9.1
71.43626	0.7
71.80769	0.7
77.03922	7.2
79.05487	70.6
80.05829	1.7
80.06264	1.1
81.07058	3.7
85.06532	3.1
91.05476	42.9
92.05818	1.6
93.07038	86.2
94.07373	2.5
95.04962	28.7
97.93929	0.8
103.05458	22.2
103.07597	0.9
105.04517	13.5
105.07021	100.0
106.07883	6.8
107.07324	2.0
107.67077	0.8
119.08567	13.5
121.02853	3.5
121.04015	1.6
121.06516	7.7
121.10136	57.7
122.09655	2.1
122.10489	2.3
123.08060	9.8
133.07596	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01600	0.4
51.02375	1.3
53.03938	3.3
55.01864	1.0
55.05504	2.0
63.02396	0.3
65.03936	51.6
66.04272	1.3
67.05501	1.3
70.74431	0.5
77.03922	5.3
78.04704	15.1
79.05483	15.2
81.03400	0.4
81.07046	0.7
89.03913	0.3
91.05473	100.0
92.05789	2.9
93.03400	6.4
93.07034	23.7
94.06540	0.3
94.07373	0.5
95.04961	22.2
96.05300	0.7
98.03656	0.6
103.05461	6.7
105.03413	0.6
105.04508	9.5
105.05183	0.6
105.07020	25.6
106.04161	7.6
106.04728	0.3
106.07858	2.1
107.04949	0.4
107.07329	3.0
109.06502	1.1
110.36072	0.3
111.04424	6.6
112.04762	0.4
119.06120	0.7
119.08571	3.3
121.02854	43.2
121.03967	11.3
121.06493	50.4
121.10132	16.7
122.03188	2.2
122.04327	0.5
122.06041	0.6
122.06824	1.6
122.09668	3.8
122.10480	0.5
123.08047	2.7
133.07593	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.89928	0.5
51.02382	0.8
52.16789	0.5
53.03944	2.9
55.01850	0.5
55.05499	1.2
57.04720	0.5
65.03932	1.0
69.47852	2.2
69.48218	1.0
77.03915	4.3
78.04696	1.0
79.05486	36.5
80.05824	0.8
81.06999	0.6
82.66689	0.5
91.05473	15.4
92.35818	0.5
92.65027	0.5
93.07037	16.3
95.04958	13.9
95.05532	1.0
103.05459	19.6
105.04526	5.2
105.07018	100.0
106.07223	1.3
106.07890	6.1
107.04942	16.0
119.08564	13.2
121.05635	0.7
121.06503	9.9
121.10130	52.9
122.07288	3.0
122.09660	0.9
122.10477	1.7
123.08057	11.6
133.07599	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01587	1.4
51.02373	4.3
53.03944	2.9
55.01863	1.6
55.05498	1.2
57.07046	0.5
65.03920	1.2
67.05497	11.6
68.05018	1.5
69.03437	0.4
69.20329	0.4
70.15022	1.0
77.03923	12.8
77.04366	0.7
78.03446	1.2
79.05474	4.1
80.04538	0.9
80.05010	18.2
81.03408	0.9
81.04549	0.5
81.07049	8.3
93.06998	1.1
94.05293	0.4
95.04957	18.5
95.06062	1.8
95.08582	1.9
96.04481	10.7
96.08136	0.4
100.02470	1.9
101.00866	6.6
105.02662	0.9
105.03381	13.4
105.04488	6.7
105.07002	0.5
106.02901	1.2
106.03658	0.6
106.06540	2.6
106.07283	1.0
107.94487	0.4
108.05701	0.7
108.06952	0.5
108.07671	1.8
111.05544	2.0
112.03958	7.2
118.03497	1.8
119.01906	47.9
123.04413	100.0
123.05518	41.0
123.08031	3.0
123.09157	1.8
123.09998	1.1
123.11698	1.8
124.03942	17.4
124.04758	2.6
124.05840	0.5
124.07568	2.7
127.14547	0.4
131.72902	0.4
137.02942	25.9
139.05031	1.2
139.54193	0.5
140.03426	3.4
142.03459	2.3
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
53.03933	4.1
55.01864	1.1
55.05262	1.1
55.05508	21.1
55.97924	1.0
56.81660	0.8
57.07077	1.6
59.02185	0.8
65.03920	4.0
67.05497	81.0
68.05033	0.9
68.05827	1.7
69.03411	1.2
69.07063	1.0
69.42789	3.9
77.03912	2.0
78.03413	1.0
79.05482	13.7
80.05015	6.7
80.06261	1.8
81.03398	8.9
81.07047	37.1
82.31892	1.1
91.05450	4.7
92.39044	0.9
93.07038	16.1
94.68639	0.8
95.04958	48.9
95.08592	52.3
96.04480	5.5
96.05315	0.9
96.08875	1.0
97.07847	0.8
100.02457	0.9
101.00884	2.3
105.04487	2.0
105.07007	3.6
105.87875	0.8
106.07343	0.9
107.04925	1.5
107.36630	1.0
108.05732	6.9
111.05504	0.9
112.03943	4.0
119.01905	11.8
123.04424	8.6
123.05534	13.4
123.08053	100.0
123.11678	6.7
124.03934	11.2
124.07542	1.3
124.08372	2.5
128.33670	0.9
137.02953	4.2
140.03383	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.48689	0.5
53.03945	2.8
53.68594	0.5
55.01859	0.9
55.05505	20.9
57.03434	1.2
58.59053	0.5
65.03935	3.4
67.05495	88.1
68.05834	2.0
70.42616	1.2
79.05481	6.4
80.05003	3.8
80.06261	2.0
81.03410	8.2
81.07042	6.9
83.04968	0.9
85.84468	0.5
91.05472	5.4
93.07032	17.2
95.04957	46.9
95.08593	58.4
96.04475	2.4
96.05295	1.8
96.08927	1.2
101.00877	2.0
103.05505	0.9
105.04525	1.4
105.07022	4.0
107.04929	1.5
108.05726	5.0
112.03943	2.0
119.01907	10.0
123.05575	10.3
123.08052	100.0
124.03931	6.0
124.07577	0.8
124.08405	3.4
128.16864	0.5
137.03000	3.1
138.79254	0.6
140.03426	1.7
142.64316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03948	2.5
55.05510	14.3
57.07074	5.6
59.47599	0.6
65.03934	2.4
67.05500	49.2
68.05819	0.9
69.03421	1.1
69.07064	5.2
71.18875	0.8
77.03926	1.2
77.14984	0.7
79.05487	25.3
80.05017	1.8
80.06273	1.8
81.03416	1.1
81.07052	100.0
82.07391	2.5
85.76405	0.7
87.35390	0.6
90.04702	0.8
91.05493	3.7
93.07046	12.2
94.07847	0.9
95.04963	10.0
95.08601	53.8
96.04505	1.2
96.08959	1.2
103.05458	2.2
105.04511	1.6
105.07026	12.0
107.04944	4.9
108.05738	29.7
108.09370	1.0
109.06066	0.8
112.03989	0.8
119.01908	2.0
120.40948	0.7
121.06528	5.2
121.10124	2.0
123.05581	5.2
123.08063	90.4
123.11694	24.5
124.03948	2.5
124.08411	2.5
135.05516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03936	4.0
53.39520	0.7
55.01862	2.0
55.05507	27.7
57.07079	3.0
61.48809	0.6
65.03928	5.1
67.05499	100.0
68.05833	2.3
69.03429	2.3
69.07066	2.2
69.20374	4.3
77.03913	1.3
79.05486	19.6
80.05003	5.2
80.06264	2.3
81.03434	1.1
81.07052	48.8
91.05479	4.2
91.92269	0.8
93.07039	19.2
95.04962	10.4
95.08600	88.0
96.04478	3.4
96.08942	2.9
101.00888	1.1
103.05470	1.9
105.03400	0.9
105.04507	2.2
105.07020	8.8
106.07320	1.1
107.04958	3.2
108.05733	20.5
108.07653	1.1
112.03977	2.7
119.01920	8.7
121.06507	2.4
121.10166	1.2
123.04451	2.4
123.05552	11.8
123.08061	53.3
123.09988	1.9
123.11693	11.7
124.03948	9.4
124.07610	1.0
124.08401	1.0
135.74557	0.6
137.02965	2.5
140.03429	2.0
144.94856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03941	1.7
55.05508	6.1
57.07071	5.7
58.93763	0.3
65.03940	1.6
67.05501	22.1
68.05827	0.5
69.03442	0.6
69.07066	2.4
69.83292	1.0
77.03948	0.5
79.05485	15.3
80.05005	2.9
80.05816	0.6
80.06276	0.5
81.03442	0.5
81.07051	100.0
82.07378	3.0
91.05504	0.5
91.99906	0.3
93.07033	3.7
94.07829	0.9
95.04962	3.4
95.08599	22.9
96.04489	1.7
96.08141	0.3
96.08937	0.9
101.00874	0.7
103.05450	0.5
103.83252	0.3
105.04468	0.4
105.07032	3.0
106.04953	0.3
106.07339	0.4
107.04975	0.8
108.05731	4.2
108.09349	0.6
112.03942	1.8
119.01907	2.9
121.10144	1.3
123.04441	1.2
123.05549	4.9
123.08060	10.8
123.09072	0.5
123.10000	1.2
123.11694	23.1
124.03947	4.1
124.07581	0.8
124.08426	0.6
124.12038	1.0
137.02959	1.1
138.97523	0.3
140.03403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
51.88211	0.3
53.03934	1.6
55.05507	5.1
57.07071	5.6
65.03932	1.4
67.05499	17.7
68.05834	0.4
69.07052	2.8
69.48749	1.1
69.80450	0.3
77.03931	0.5
79.05488	21.3
80.05016	1.8
80.05817	0.5
81.03425	0.6
81.07050	100.0
82.07382	3.1
91.05476	0.5
93.07033	3.1
94.07825	0.9
95.04964	3.9
95.08598	17.4
96.04493	1.6
96.08894	0.4
101.00865	1.1
105.03367	1.0
105.04512	0.8
105.07024	1.1
107.04954	0.4
108.05728	1.3
108.09367	0.9
111.05527	0.5
112.03945	1.6
119.01921	4.0
121.10144	1.3
123.04441	1.1
123.05534	4.5
123.08063	8.0
123.11696	22.5
124.03939	3.4
124.07587	0.4
124.08403	0.5
124.12017	1.2
137.02962	1.1
140.03383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99871	0.3
61.82106	0.1
69.99864	0.3
70.00225	0.3
75.65210	0.1
82.01440	0.3
82.99828	2.4
83.01490	0.2
86.37641	0.1
100.02487	0.6
101.00869	30.4
101.02547	0.7
102.00937	0.7
102.02248	0.3
111.00423	0.2
118.03535	0.3
119.01905	100.0
120.01987	2.6
121.02352	0.6
124.02451	0.4
137.02939	25.8
138.03061	0.6
142.03485	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41890	0.1
56.96553	0.2
58.99593	0.2
58.99861	0.7
62.92857	0.1
64.67314	0.1
70.99852	1.0
77.00894	0.6
78.03464	0.3
80.05009	2.0
82.01421	0.4
82.99821	1.8
83.01505	0.2
89.00894	0.5
95.01914	0.2
96.04486	1.7
100.02474	0.7
101.00869	25.7
101.02544	1.1
102.00920	0.8
102.02219	0.5
102.66293	0.2
110.04779	0.3
112.03960	0.6
118.03510	0.3
119.01908	100.0
120.01986	4.1
120.03231	0.2
121.01599	0.2
121.02355	0.3
124.02471	0.5
124.03942	11.5
124.07513	0.3
125.04242	0.3
133.03496	0.2
137.02943	28.4
138.03027	1.1
140.03447	0.3
142.03484	4.3
143.03534	0.2
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
56.96553	0.2
63.85357	0.1
69.92323	0.3
69.92651	0.2
82.01445	0.2
82.99833	2.0
96.04480	0.5
98.23417	0.2
100.02476	0.6
101.00864	26.7
102.00950	0.8
112.03947	0.9
117.86665	0.1
118.03519	0.2
119.01902	100.0
120.01978	3.6
121.02318	0.4
124.02432	0.3
124.03916	1.6
124.05909	0.2
124.07591	0.4
137.02936	28.0
138.03024	1.2
139.03362	0.3
140.03441	0.4
142.03479	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99839	0.1
60.00637	0.2
65.90187	0.1
73.71545	0.1
82.01434	0.2
82.99826	2.1
92.85011	0.1
100.02455	0.6
101.00866	28.0
102.00893	0.8
118.03508	0.2
119.01904	100.0
120.01981	3.1
120.02969	0.2
121.02347	0.4
124.02408	0.4
124.03918	0.2
126.63452	0.1
128.65422	0.1
137.02937	27.2
138.03015	1.0
142.03482	4.3
143.03659	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	124.0758
Annotation	2-Amino-5-methylphenol
Peak:m/z	Relative Intensity
51.22967	0.3
53.03937	0.5
55.01844	0.4
55.05518	0.6
55.74645	0.3
65.03934	3.7
68.05024	0.8
68.05829	0.4
69.03416	0.9
69.07062	0.3
69.71664	1.2
70.83801	0.3
78.03452	0.6
79.01855	0.9
79.05491	4.5
80.05010	4.3
81.05773	1.0
81.07059	0.8
82.02905	1.7
82.07389	1.2
83.04973	0.4
92.04998	9.4
93.05804	1.0
95.04971	0.6
96.04496	5.3
96.05197	0.5
96.08134	1.5
96.08916	0.4
97.02894	1.3
97.04772	0.5
101.00863	4.5
102.00992	0.3
106.06538	6.2
107.01311	0.7
107.04949	0.4
107.06075	0.5
108.04469	1.2
109.05247	100.0
110.05565	1.9
112.03955	10.1
119.01907	25.3
120.01981	1.8
124.03943	21.6
124.07577	42.5
125.02370	0.4
125.04302	0.9
125.06005	0.5
125.07081	1.1
125.07913	1.0
125.09603	0.5
125.92016	0.3
137.02940	12.0
138.03113	0.4
140.03415	5.2
142.03497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03929	9.7
55.01852	14.2
55.05496	51.2
65.03941	7.2
69.03419	21.0
69.07058	13.3
69.29848	15.3
69.30257	19.3
79.01853	7.8
79.05489	76.8
80.05003	21.4
81.07065	30.1
83.04969	95.9
83.06082	7.0
83.08610	9.6
83.26470	6.0
91.05453	56.5
95.04956	9.2
97.02884	13.0
97.06487	16.4
103.64005	7.1
105.04463	6.2
105.07014	23.6
107.01311	7.6
107.06071	16.1
107.08585	100.0
108.04469	68.2
109.06517	12.0
120.01975	40.5
121.01661	26.7
125.02300	7.7
125.04284	8.9
125.05985	6.6
125.07103	20.1
125.09621	64.1
126.05509	45.8
138.03021	14.3
139.66515	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	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03700	2.6
53.03941	37.8
53.42387	2.1
55.01872	17.9
55.05499	5.8
57.03426	9.8
67.05497	20.9
69.03420	39.6
69.07064	3.8
71.01308	3.0
71.04690	2.2
71.04991	21.2
72.04501	3.6
79.05499	13.3
81.03412	78.7
81.07050	27.1
82.06580	10.2
83.01332	3.3
84.08141	4.5
85.02887	6.5
85.06539	2.6
97.02885	75.4
98.98455	2.6
99.04434	10.0
100.07614	2.5
109.02181	3.6
109.02876	45.6
109.04788	3.8
109.06508	7.7
109.10147	8.6
121.36990	2.3
127.03904	100.0
127.07407	4.1
127.11212	3.1
128.04288	3.2
128.07094	5.3
128.10660	2.5
134.70306	2.1
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
56.05031	7.0
57.03410	0.3
59.59227	0.2
60.05636	0.7
69.03426	0.7
69.43296	0.3
69.43701	0.6
70.06589	4.3
71.04991	1.3
84.04498	100.0
84.08134	26.7
85.02896	6.5
85.04807	1.4
85.08473	0.2
95.01340	1.0
98.23158	0.7
102.05527	1.8
112.03951	0.2
112.07590	0.6
112.08714	0.2
130.04991	9.8
130.08643	3.2
130.09619	0.3
148.60579	0.2
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	Unknow
Peak:m/z	Relative Intensity
50.90975	0.2
51.49631	0.1
56.05031	6.8
57.03425	0.2
59.28073	0.1
60.05641	0.7
66.11849	0.1
67.05496	0.2
69.03065	0.4
69.03426	6.3
69.07056	0.8
69.36392	0.6
69.36757	0.3
70.06587	4.6
71.04981	1.2
82.06579	0.4
82.23027	0.2
84.04499	100.0
84.08135	26.6
85.02901	5.9
85.04827	1.3
85.08459	0.4
87.04469	0.2
88.07642	0.2
94.06544	0.2
95.01318	0.9
98.23427	0.3
102.05535	2.0
112.03928	0.3
112.07597	14.8
113.07944	0.3
130.04996	9.2
130.08640	5.3
130.09666	0.4
131.05318	0.2
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	Unknow
Peak:m/z	Relative Intensity
56.05034	6.0
57.03427	0.4
60.05643	0.6
69.03427	4.1
69.07074	0.5
70.06589	5.1
70.68085	0.3
71.04996	1.6
82.06592	0.3
84.04499	100.0
84.08135	24.3
85.02898	6.1
85.04812	1.4
85.08438	0.3
87.04485	0.2
95.01319	0.7
98.23319	0.2
101.15151	0.2
102.05526	1.5
112.03966	0.2
112.07597	9.4
130.04991	9.7
130.08640	4.1
130.09671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
50.19007	0.6
57.07069	80.9
58.07404	1.3
59.70633	0.6
69.03421	8.0
69.07059	0.8
74.09709	51.8
75.10036	1.6
84.04492	10.5
84.08137	7.3
85.02881	1.3
101.80601	0.6
103.05463	5.8
112.07587	20.8
113.07905	0.6
115.05443	0.6
122.73515	0.6
128.61156	0.6
130.05045	1.5
130.06520	5.2
130.08607	3.9
130.15900	100.0
131.04979	1.0
131.16292	3.2
137.71628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03950	1.1
55.01860	0.2
56.05033	0.3
57.03434	0.3
57.07061	2.2
57.46670	0.2
58.07395	0.7
62.00352	0.2
69.03429	0.5
70.03758	0.8
71.01026	0.4
74.09717	1.1
77.03909	1.9
84.04514	0.5
85.04829	1.8
85.08465	1.1
86.09728	0.2
91.05467	2.3
95.04957	7.4
102.04657	1.0
103.05456	100.0
104.05782	2.8
105.04498	2.9
113.07258	0.2
113.07947	2.2
116.06199	0.4
129.06999	0.4
130.15916	1.4
131.04912	10.4
131.06888	0.6
131.08484	1.6
131.16252	1.4
132.05258	0.6
132.06531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
51.26167	0.2
53.03942	1.7
54.34510	0.2
58.42115	0.2
65.99108	0.2
69.47769	0.4
69.48153	0.4
77.03919	2.2
85.04836	0.6
85.08495	0.4
89.13802	0.2
91.05474	1.5
92.26340	0.2
94.88569	0.2
95.04962	7.4
96.05238	0.3
97.02251	0.2
97.80793	0.2
97.96150	0.2
102.04686	1.3
103.05463	100.0
104.05796	3.0
105.04498	2.7
113.07955	1.3
116.06239	0.5
129.06976	0.3
131.04919	12.2
131.08516	1.7
132.05615	0.2
132.08005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03939	1.3
57.03428	0.3
57.07068	0.3
66.51212	0.2
67.05467	0.2
68.02267	0.2
69.03416	0.2
69.09814	0.4
69.10219	0.8
70.03763	0.3
71.04989	0.3
71.06909	0.1
77.03923	1.9
84.04510	0.3
85.04826	0.6
85.08470	0.5
86.09699	0.1
87.83414	0.1
88.15888	0.2
90.90394	0.3
91.05479	2.0
95.04956	8.7
96.05298	0.3
98.22903	0.7
102.04677	1.6
103.05458	100.0
104.05793	3.0
105.04504	3.3
106.29229	0.1
113.07928	1.2
115.05453	0.3
116.06229	0.5
129.06964	0.3
131.04915	8.7
131.06906	0.4
131.08517	1.8
132.05260	0.2
132.06512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03946	1.6
68.80478	0.3
70.03756	0.4
70.75283	0.5
73.98875	0.3
74.17834	0.3
77.03912	2.6
91.05474	5.8
95.04959	8.2
102.04671	1.2
103.05454	100.0
104.05792	2.6
105.04488	3.3
113.07932	0.8
115.05418	0.5
116.06199	1.9
129.06981	0.8
131.04913	11.9
131.08527	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03944	1.2
53.34066	0.2
56.05019	0.2
57.03432	0.2
57.07072	0.3
58.11819	0.2
69.03426	0.7
70.03747	0.6
71.41456	0.2
71.93015	0.2
72.04512	0.3
72.68280	0.2
74.09717	0.2
77.03918	1.9
84.04501	0.5
84.08139	0.2
84.55468	0.2
85.04829	2.6
85.08451	1.1
85.70981	0.2
86.06060	0.2
90.90353	0.3
91.05486	1.1
94.45354	0.2
95.04961	8.0
102.04665	1.2
103.05460	100.0
104.05787	3.0
105.04502	3.1
113.07228	0.3
113.07923	2.2
116.06236	0.2
129.07028	0.2
130.15924	0.2
131.04921	10.0
131.06879	0.8
131.08629	0.7
131.16267	0.2
132.05295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03950	1.1
55.01860	0.2
56.05033	0.3
57.03434	0.3
57.07061	2.2
57.46670	0.2
58.07395	0.7
62.00352	0.2
69.03429	0.5
70.03758	0.8
71.01026	0.4
74.09717	1.1
77.03909	1.9
84.04514	0.5
85.04829	1.8
85.08465	1.1
86.09728	0.2
91.05467	2.3
95.04957	7.4
102.04657	1.0
103.05456	100.0
104.05782	2.8
105.04498	2.9
113.07258	0.2
113.07947	2.2
116.06199	0.4
129.06999	0.4
130.15916	1.4
131.04912	10.4
131.06888	0.6
131.08484	1.6
131.16252	1.4
132.05258	0.6
132.06531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47082	0.3
51.02374	0.9
52.86996	0.3
53.03943	1.8
56.05033	0.8
57.03432	2.9
58.02947	0.7
68.05024	0.6
69.07077	0.6
69.39716	0.4
69.40021	1.5
72.93790	0.5
76.55869	0.3
77.03916	2.3
79.05487	0.5
84.04486	0.6
86.06046	0.7
86.09683	0.6
86.31408	0.2
90.90372	1.9
90.94829	0.3
91.05470	1.4
95.04961	10.5
96.04494	1.9
96.05064	0.3
104.04981	68.9
105.03403	3.3
105.04503	4.8
105.05302	1.4
105.07014	4.6
106.16081	0.4
114.05530	0.5
117.05753	0.4
131.82001	0.3
132.04439	100.0
133.02843	1.8
133.04790	2.7
133.06465	1.0
133.07591	0.8
133.10109	1.4
141.23878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.47082	0.3
51.02374	0.9
52.86996	0.3
53.03943	1.8
56.05033	0.8
57.03432	2.9
58.02947	0.7
68.05024	0.6
69.07077	0.6
69.39716	0.4
69.40021	1.5
72.93790	0.5
76.55869	0.3
77.03916	2.3
79.05487	0.5
84.04486	0.6
86.06046	0.7
86.09683	0.6
86.31408	0.2
90.90372	1.9
90.94829	0.3
91.05470	1.4
95.04961	10.5
96.04494	1.9
96.05064	0.3
104.04981	68.9
105.03403	3.3
105.04503	4.8
105.05302	1.4
105.07014	4.6
106.16081	0.4
114.05530	0.5
117.05753	0.4
131.82001	0.3
132.04439	100.0
133.02843	1.8
133.04790	2.7
133.06465	1.0
133.07591	0.8
133.10109	1.4
141.23878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96550	2.6
57.03430	1.5
58.31911	0.5
62.67051	0.5
69.03386	0.6
69.07061	4.7
70.01369	1.0
70.01694	0.8
73.02906	0.8
73.88793	0.5
78.72061	0.5
83.10690	0.5
84.04532	0.5
84.08151	0.7
86.09699	100.0
87.10026	1.6
98.97569	0.6
105.07007	0.9
105.60642	0.5
132.06526	0.6
132.08096	0.7
132.10214	1.1
133.07570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72459	3.1
55.01851	3.3
55.05497	4.0
57.03427	19.3
59.04976	3.2
67.06750	3.0
69.03420	42.4
71.19244	3.0
75.04485	4.6
77.03949	3.2
79.05486	15.0
80.96997	3.1
82.57860	3.2
85.02881	25.3
87.04454	5.7
91.05476	28.3
93.07045	6.1
95.04957	8.7
97.02853	3.6
103.05451	9.0
105.03384	6.8
105.07020	100.0
106.06520	6.5
117.07018	4.0
118.04184	3.3
131.08554	5.9
133.02849	10.5
133.06490	30.8
133.07599	35.6
133.10089	38.2
134.06001	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01869	8.4
55.05499	1.2
65.03922	1.0
67.51183	0.6
69.23769	1.4
69.24178	1.6
77.03908	2.3
79.05483	29.0
80.05807	0.8
91.05467	3.9
95.04958	10.3
98.22621	1.0
98.23331	1.9
103.05460	21.1
104.05780	0.9
105.04559	3.9
105.07018	100.0
106.07336	3.9
107.04936	0.8
115.05428	4.6
131.04930	0.8
131.08572	1.4
133.06487	45.6
133.07561	3.2
133.10086	3.6
134.06848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03928	1.1
55.01864	2.2
55.05507	3.5
57.94176	0.4
59.04992	0.5
65.03934	1.0
67.05495	1.1
67.81211	0.4
70.03126	1.4
73.06544	1.3
77.03912	1.9
79.05479	13.5
80.05816	0.4
80.50328	0.5
84.37174	0.4
90.04694	3.4
91.05468	24.1
92.05778	0.5
93.07030	2.1
95.04958	3.7
101.06020	0.8
103.05459	8.3
104.04950	0.7
105.03387	1.1
105.04518	1.3
105.07016	100.0
106.06574	0.8
106.07350	2.9
107.04920	0.6
115.05434	3.6
116.06229	0.8
117.07006	2.4
118.04153	7.4
118.07777	2.0
131.04918	0.9
131.08536	4.9
133.06476	43.7
133.10106	21.3
133.11121	0.7
134.05936	0.8
134.06825	1.3
134.10457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03934	1.5
55.01868	5.4
55.05500	1.7
69.14880	0.9
69.70616	1.0
69.70943	3.5
77.03915	2.8
79.05043	2.0
79.05481	27.1
80.05829	1.0
91.05461	8.2
93.07081	1.3
95.04939	6.4
98.23170	2.9
103.05457	17.8
105.04519	2.6
105.07018	100.0
106.06622	1.0
106.07301	4.3
115.05470	3.3
118.04121	2.1
118.07829	1.0
122.39583	1.0
131.04887	1.5
131.08543	1.9
133.06477	46.3
133.07501	2.9
133.10085	7.7
134.05957	1.1
134.06902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1009
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.45787	0.2
53.03942	0.2
55.05510	1.0
57.14669	0.2
65.03934	2.5
69.18317	1.3
77.24677	0.2
78.04295	0.2
78.04691	1.1
79.05476	2.3
91.05474	100.0
92.05801	2.6
93.07045	0.5
95.04957	0.5
103.05468	2.2
104.06242	16.0
105.07030	18.5
106.07355	0.4
115.05428	0.4
117.07021	0.5
118.07793	0.6
122.87880	0.2
131.08560	1.0
133.06425	0.2
133.07605	0.9
133.10118	11.1
134.10545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03939	0.9
55.01861	0.6
55.05508	3.5
57.03429	0.4
65.03925	0.7
67.05495	0.9
69.34254	1.3
77.03919	1.2
78.78136	0.3
79.05482	9.2
91.05473	26.9
91.85089	0.3
92.05771	0.6
92.06273	0.4
93.07038	6.6
95.04964	3.5
97.17473	0.3
103.05459	5.5
104.06280	0.4
105.03394	0.7
105.04514	0.9
105.07020	79.6
106.07362	2.3
107.08600	1.4
109.06489	0.3
115.05439	8.2
116.06248	1.6
117.06172	0.5
117.07009	8.5
118.04166	0.4
118.07799	10.4
129.07008	0.7
131.08553	10.2
132.08904	0.3
133.02831	0.7
133.06487	4.8
133.10115	100.0
134.10455	4.1
146.69923	0.3
148.49675	0.3
153.37132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03937	0.7
55.05502	2.6
55.60077	0.2
57.51849	0.3
65.03917	0.6
67.05501	0.5
75.22290	0.3
77.03911	1.0
79.05483	8.2
89.02480	0.2
91.05469	21.5
92.05779	0.6
92.06283	0.5
93.07030	5.7
95.04955	2.6
103.05449	3.9
105.04543	1.3
105.07016	60.6
106.07317	1.7
107.08578	1.7
115.05444	7.4
116.06245	1.4
116.08257	0.3
117.07005	7.7
118.07784	9.1
119.08104	0.3
127.85928	0.3
129.06964	0.4
130.72691	0.2
131.07556	0.3
131.08548	7.4
133.06586	2.0
133.10110	100.0
134.10426	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03930	1.4
55.05510	4.4
65.03922	0.8
67.05506	1.2
69.89710	0.9
69.90034	0.6
77.03919	2.0
79.05486	11.9
91.05474	33.8
92.05794	1.2
93.07036	6.5
95.04968	3.7
103.05460	6.4
105.04508	1.5
105.07020	98.2
106.06727	0.6
106.07343	3.0
107.08624	1.3
115.05441	8.5
116.06226	2.1
117.07007	9.2
118.04192	0.8
118.07789	9.7
119.08109	0.7
121.16593	0.6
129.06972	0.8
131.08562	11.6
133.02855	0.8
133.06522	8.0
133.10117	100.0
134.10448	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03934	1.3
55.05511	5.1
58.57170	0.6
67.05495	1.2
69.54049	1.1
69.54432	1.2
77.03947	1.4
79.05482	9.3
80.15862	0.6
80.72060	0.6
86.18121	0.6
91.05471	35.9
93.07029	7.5
95.04949	2.8
103.05460	4.2
103.54235	0.7
105.07019	95.2
106.07334	3.0
107.08572	1.4
115.05417	7.4
116.06229	2.0
117.07001	9.5
118.07800	8.7
129.07013	1.3
131.08542	11.8
133.06563	1.5
133.10115	100.0
134.10435	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02378	0.4
53.03946	0.6
53.99055	0.2
54.45574	0.2
55.05505	2.4
56.77650	0.2
65.03935	0.8
67.05501	0.5
69.32411	1.1
77.03918	1.2
78.04702	0.3
79.05486	8.4
84.76196	0.2
91.05476	21.2
92.05781	0.4
92.06293	0.3
93.07042	5.6
95.04970	2.4
103.05467	4.3
104.06239	0.4
105.04578	1.3
105.07024	56.4
106.07355	1.6
107.08593	1.8
115.04635	0.4
115.05450	7.4
116.06284	1.0
117.06168	0.4
117.07013	8.9
118.07805	9.6
119.08102	0.2
128.47995	0.2
129.06998	0.7
131.08562	7.5
132.08882	0.3
133.06496	1.3
133.10120	100.0
134.06081	0.3
134.10461	3.9
141.36646	0.2
142.03621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02356	0.5
53.03934	1.2
55.05252	0.5
55.05505	5.5
65.03938	0.6
67.05492	1.6
70.31976	0.6
74.71393	0.3
77.03918	1.2
79.05486	10.1
89.66806	0.3
91.05470	34.8
92.05781	1.0
93.07034	7.9
95.04960	3.7
103.05459	5.3
105.04582	1.5
105.07018	100.0
106.07327	2.1
107.08573	1.4
115.05441	7.4
116.06230	1.5
117.07006	7.8
118.07798	9.6
129.06989	1.0
131.08557	11.7
133.06474	1.0
133.10114	61.3
134.10429	1.7
135.59288	0.3
146.51503	0.3
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	Unknow
Peak:m/z	Relative Intensity
52.18042	0.4
53.03936	1.1
55.01865	0.5
55.05304	0.3
55.05510	4.0
65.03925	0.8
67.05489	1.4
71.23215	0.5
73.02943	0.5
77.03899	1.9
79.05482	11.1
79.42407	0.4
91.05473	32.1
92.05775	0.8
92.06282	0.5
93.07034	7.5
95.04971	3.2
103.05463	6.1
105.04508	1.7
105.07018	100.0
106.07335	2.9
107.08582	1.7
115.05433	8.8
116.06194	2.0
117.07004	9.0
118.04174	0.7
118.07801	8.6
119.08068	0.4
129.06979	1.2
131.08554	13.1
132.08908	0.5
133.02809	1.4
133.06493	8.5
133.10115	89.3
133.79762	0.4
134.05931	0.5
134.06873	0.5
134.10443	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	135.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03931	1.5
55.01864	1.0
55.05498	0.8
65.03927	0.9
67.05487	1.2
69.07056	0.2
70.55798	0.3
70.56123	0.2
70.67519	0.2
77.03918	2.9
79.05485	20.6
80.05807	0.5
81.03423	0.3
81.07047	0.4
89.03916	0.7
89.74920	0.2
91.05471	8.3
92.02624	0.5
93.07038	4.0
95.04957	12.5
96.05277	0.2
101.34084	0.2
103.05455	0.8
105.04505	4.1
105.07022	4.9
107.04942	100.0
107.08578	9.6
108.05263	2.7
108.08896	0.3
109.01062	0.3
109.06508	1.0
115.05442	2.4
117.06995	1.8
118.06496	0.2
119.06059	1.0
119.08579	3.3
120.05799	0.2
120.09346	0.6
135.04477	1.4
135.08037	38.5
135.11650	3.4
136.02145	5.0
136.06197	0.6
136.07521	0.5
136.08421	1.0
136.12088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03949	1.7
55.01861	1.4
55.05510	5.4
55.05733	0.9
63.54383	0.8
65.03937	6.6
67.05492	3.7
69.03420	1.3
69.07063	1.4
69.23473	3.4
69.23879	1.6
77.03902	1.7
79.05488	29.1
81.07040	1.8
91.05475	100.0
92.05807	2.3
92.06307	1.4
93.07042	25.5
95.04954	8.1
102.04713	0.8
103.05470	2.1
105.04534	3.5
105.07027	30.3
106.07356	0.7
107.04961	5.8
107.08587	76.3
108.08146	1.5
108.08916	2.3
109.01091	2.2
109.06514	17.3
109.07223	1.6
114.17477	0.7
115.05450	58.4
115.39195	0.8
116.06294	1.6
117.07012	33.1
117.57178	1.0
118.07367	1.2
119.06054	10.3
119.08591	3.3
120.05737	2.8
120.09322	0.8
133.06490	1.8
135.04469	1.3
135.08049	58.1
135.11687	9.0
136.02159	24.8
136.06186	2.6
136.07552	2.3
136.08440	1.6
139.39127	0.8
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	Isochavicol
Peak:m/z	Relative Intensity
51.02380	0.6
53.03941	1.9
53.34517	0.3
55.01859	2.0
55.05501	2.4
61.99176	0.3
63.37255	0.3
65.03936	1.0
67.05494	1.6
69.07072	0.9
77.03923	2.8
79.05483	25.8
80.05016	0.5
80.05828	0.5
81.07048	1.4
89.03901	4.5
91.05467	15.5
92.05793	0.5
93.07034	12.8
94.06574	0.4
95.04957	15.6
96.05350	0.3
103.05469	1.7
105.04501	4.9
105.07017	8.2
106.07327	0.4
107.04942	100.0
107.08580	18.3
108.05261	2.5
108.08131	0.6
108.08928	0.4
109.01091	1.3
109.06499	2.3
115.05437	2.7
117.03363	1.6
117.06998	3.0
119.06072	1.8
119.08564	3.6
120.05710	0.6
120.09372	0.8
133.06502	0.6
135.04413	5.0
135.05490	1.0
135.08037	44.3
135.11661	4.5
136.02145	21.2
136.05154	0.6
136.06184	2.5
136.07529	1.1
136.08411	1.3
136.11195	0.3
145.40103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02371	0.5
53.03931	1.5
55.01864	1.0
55.05498	0.8
65.03927	0.9
67.05487	1.2
69.07056	0.2
70.55798	0.3
70.56123	0.2
70.67519	0.2
77.03918	2.9
79.05485	20.6
80.05807	0.5
81.03423	0.3
81.07047	0.4
89.03916	0.7
89.74920	0.2
91.05471	8.3
92.02624	0.5
93.07038	4.0
95.04957	12.5
96.05277	0.2
101.34084	0.2
103.05455	0.8
105.04505	4.1
105.07022	4.9
107.04942	100.0
107.08578	9.6
108.05263	2.7
108.08896	0.3
109.01062	0.3
109.06508	1.0
115.05442	2.4
117.06995	1.8
118.06496	0.2
119.06059	1.0
119.08579	3.3
120.05799	0.2
120.09346	0.6
135.04477	1.4
135.08037	38.5
135.11650	3.4
136.02145	5.0
136.06197	0.6
136.07521	0.5
136.08421	1.0
136.12088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15689	0.6
50.80865	0.6
51.02366	0.9
53.03946	2.9
53.99956	0.6
55.01857	1.1
55.05506	9.1
57.07062	0.9
65.03928	2.6
67.05498	2.1
69.07056	2.2
71.01380	0.6
77.03918	3.5
79.05039	1.3
79.05486	23.7
80.53771	0.6
81.07051	3.3
87.29176	0.6
91.05472	63.0
92.05798	2.2
92.06290	1.4
93.07034	48.4
94.07330	0.8
94.07857	1.0
95.04962	13.0
95.08595	1.2
103.05492	0.9
104.06242	0.7
105.04498	5.5
105.07019	32.9
106.07868	1.3
107.04957	4.1
107.08582	100.0
108.08920	3.9
109.01106	0.8
109.05774	0.7
109.06507	11.6
115.05437	2.0
117.07018	4.3
119.06075	7.6
119.08565	19.7
120.06419	0.7
120.09362	6.6
133.10080	1.6
135.04431	1.3
135.08032	7.2
135.11681	28.8
136.02145	6.8
136.06117	0.7
136.11957	0.8
137.09581	1.3
147.09122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	3.0
54.00897	1.1
55.05508	5.6
57.07069	1.6
65.03917	2.6
69.07056	2.8
69.83042	3.8
77.03916	3.7
79.05482	16.7
81.07039	3.0
91.05470	55.5
93.07034	49.1
95.04947	10.4
95.08593	1.5
98.23466	2.4
104.06186	1.3
105.04507	2.7
105.07022	25.8
107.08582	100.0
108.08905	4.1
109.06511	12.2
115.05412	1.4
117.07020	2.3
119.06068	7.0
119.08564	22.5
120.09380	5.7
135.11674	35.5
136.12111	1.6
138.59262	1.2
152.52977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03939	1.7
55.05508	10.3
57.07076	0.5
61.49076	0.3
65.03933	1.7
67.05499	4.3
69.07069	4.4
70.58813	0.6
77.03918	3.3
78.04678	0.5
79.05488	23.9
80.04978	0.5
80.05811	0.6
81.07057	5.4
81.07530	0.7
89.03891	0.6
91.05474	37.1
92.05800	1.1
93.07037	58.9
94.07368	1.7
94.07880	0.7
95.04964	11.0
95.08607	0.7
97.07587	0.4
102.35426	0.4
103.05462	0.7
105.04511	3.7
105.07024	13.1
107.04968	2.0
107.08585	100.0
107.37694	0.4
108.08902	3.5
109.01112	0.5
109.06507	7.1
115.05477	0.9
117.07025	1.8
119.06062	5.0
119.08577	5.6
120.09325	1.4
123.16398	0.3
127.45426	0.4
128.87454	0.3
133.10146	0.4
135.04413	1.4
135.05501	0.3
135.08052	3.1
135.11682	16.7
136.02158	11.3
136.06180	1.2
136.07549	0.7
136.12006	1.1
147.09135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02374	0.5
53.03935	1.8
55.01874	0.6
55.05506	11.5
59.10399	0.5
62.43682	0.5
65.03924	1.9
65.09301	0.4
67.05496	4.0
68.10277	0.5
69.07052	3.1
70.42776	1.0
77.03512	0.5
77.03913	3.0
79.05489	21.7
81.07049	4.4
91.05475	36.6
92.05781	1.0
93.07038	56.7
94.07360	1.7
94.07869	1.2
95.04966	8.4
103.05459	0.6
105.04496	3.2
105.07023	12.6
105.07728	0.7
107.04970	2.6
107.08585	100.0
108.08265	0.6
108.08897	3.4
109.06516	6.4
115.05462	1.5
117.07017	1.3
119.06057	3.8
119.08569	4.2
120.09341	1.9
133.10147	0.7
135.04398	1.5
135.05482	0.6
135.08066	5.2
135.11678	14.3
136.02150	5.3
136.12036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05502	9.3
65.03931	2.3
65.14193	0.7
67.05495	2.5
69.07056	5.6
69.63535	3.1
77.03917	1.8
79.05483	21.8
80.05805	0.8
81.07050	4.6
87.77891	0.7
91.05472	41.1
92.05778	1.1
92.06277	1.3
93.07035	62.1
94.07336	1.7
94.07874	1.5
95.04951	9.8
103.05464	1.0
103.48724	0.7
105.04510	3.8
105.07025	14.9
107.04950	1.5
107.08582	100.0
108.08923	2.7
109.06503	7.0
115.05476	0.9
117.07007	2.4
119.06044	5.1
119.08553	9.5
120.09363	2.3
133.10155	0.8
133.71138	0.8
135.04384	2.5
135.08046	3.0
135.11676	20.6
136.02148	11.2
136.06204	1.1
136.12010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	3.5
55.05509	8.7
57.07066	1.1
65.03935	3.1
67.05518	3.3
69.07053	2.8
77.03918	4.3
79.05485	29.5
80.05817	0.7
81.07055	3.3
91.05472	71.8
92.05803	2.1
92.06308	1.1
93.07034	49.7
94.07310	1.0
94.07867	0.9
95.04959	13.7
95.05533	1.1
95.08603	1.3
103.05453	2.8
104.06242	1.1
105.04510	6.4
105.07020	32.4
106.07845	1.1
107.04945	6.7
107.08582	100.0
108.08244	0.9
108.08923	3.7
109.01105	0.9
109.06509	12.6
115.05443	3.5
117.07005	4.8
119.06057	9.0
119.07747	1.2
119.08568	19.7
119.09415	1.0
120.09377	6.4
133.10115	2.1
135.04407	2.4
135.05450	1.3
135.08051	12.5
135.11676	27.3
136.02148	16.6
136.06161	2.2
136.07500	0.8
136.08385	0.6
136.12111	0.7
137.09599	0.9
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
50.42021	0.6
51.02392	0.7
53.03941	3.7
55.01845	0.6
55.05508	11.7
57.07094	0.8
59.80697	0.7
65.03940	3.6
67.05495	3.9
69.07066	4.9
69.71881	0.6
77.03899	3.2
78.04686	0.7
79.05487	30.9
79.05949	1.5
80.05814	1.1
81.03426	1.1
81.07050	4.5
89.03905	0.6
89.31876	0.7
91.05473	55.4
92.02602	0.8
92.05793	1.6
92.19947	0.7
93.07036	66.5
94.07343	1.8
94.07845	1.3
95.04958	13.9
95.08603	0.8
103.05454	1.9
105.04499	6.2
105.07023	25.7
107.04952	2.6
107.08585	100.0
108.08240	0.7
108.08900	3.9
109.01072	1.5
109.06511	10.5
115.05444	3.0
117.07013	2.9
119.06061	6.0
119.08565	9.8
119.09919	0.7
120.09392	3.8
133.10147	1.4
135.04411	5.2
135.05432	1.0
135.08044	16.9
135.09076	1.3
135.11678	19.5
136.02147	24.9
136.03809	1.1
136.05060	0.7
136.06157	2.7
136.07559	2.9
136.12056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
56.21038	0.1
58.67782	0.2
67.02977	0.5
69.69901	0.4
82.04057	0.2
91.05474	1.9
92.02483	0.6
94.04055	3.7
98.23464	0.3
109.05119	0.7
112.05125	0.2
119.03548	11.5
119.04903	0.3
120.03900	0.2
121.12661	0.1
122.03653	0.2
131.01883	0.5
136.02184	2.3
136.06177	100.0
137.04584	6.2
137.06622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02368	2.9
53.03939	9.1
65.03930	7.8
67.05497	6.8
69.83641	5.4
70.02950	1.7
77.03934	13.1
78.35324	1.7
79.05504	4.2
81.07059	8.2
91.05474	53.1
92.05794	2.6
93.05781	6.6
93.07035	26.2
94.04202	12.1
94.06559	2.1
95.04960	38.3
95.08600	4.8
97.53966	1.9
105.04506	12.0
108.04486	2.4
108.08114	14.2
108.08846	3.2
109.01099	3.5
109.06523	1.9
122.03638	16.1
126.05486	10.9
136.02156	34.5
136.07565	100.0
137.05974	30.9
137.07896	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	137.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.0
53.03937	6.3
55.01865	9.3
55.05506	3.4
65.03924	2.8
66.04717	5.9
67.05495	17.4
69.03394	0.9
69.07037	1.5
69.32763	2.3
77.03897	1.6
79.05484	8.1
81.03407	38.3
81.07047	11.3
81.23471	0.4
83.04917	0.5
91.04935	0.8
91.05469	9.8
93.07024	1.8
94.04175	47.0
95.04970	6.1
95.08597	8.8
105.03381	0.7
105.04495	1.4
107.01300	12.6
107.04941	4.8
107.08582	1.8
109.02863	13.6
109.06509	3.9
109.10139	9.1
109.24998	0.5
117.06978	0.8
119.04924	0.6
119.08540	2.2
121.06499	2.5
122.03630	70.0
122.07270	12.9
123.03986	1.5
125.02358	0.5
127.03891	5.3
135.04344	0.6
137.02338	53.6
137.03465	2.2
137.05956	100.0
137.09589	21.2
138.02658	1.1
138.05432	0.5
138.06329	2.8
138.09099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03931	0.9
65.03922	1.7
65.87941	0.8
66.04707	6.8
67.05484	1.2
79.05477	4.0
81.04530	0.9
81.07039	2.8
91.05468	5.9
94.04173	46.7
95.05001	1.8
95.06094	0.9
98.22629	1.9
98.23307	4.7
107.04932	2.1
109.06497	1.3
109.07654	1.5
121.06491	1.4
122.03633	65.3
123.03992	2.1
123.06766	1.3
137.02538	6.7
137.05963	100.0
137.07010	5.6
137.10680	1.9
138.01732	2.5
138.05460	3.7
138.06332	3.2
138.09062	1.5
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
53.48364	0.4
55.01886	0.4
59.08374	0.4
65.03946	1.3
65.52299	0.4
66.04716	5.6
66.10664	0.3
67.59528	0.4
69.58155	1.4
73.80175	0.4
75.31629	0.4
77.03949	1.2
79.05485	3.5
81.07050	1.9
82.85728	0.4
83.68687	0.4
91.05487	3.8
94.04181	43.7
95.04473	0.9
95.05004	1.3
98.23031	1.3
105.03415	0.8
105.04504	0.9
107.04948	1.6
109.06505	1.0
122.03639	64.1
123.03957	1.6
135.04436	0.7
137.05962	100.0
138.05441	0.9
138.06319	3.1
143.24161	0.4
154.46289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02374	0.7
52.96887	0.4
53.03944	0.8
55.01859	0.5
65.03925	1.8
66.04718	5.7
67.05500	1.0
69.03391	0.5
69.48698	2.2
77.03941	1.1
79.05489	4.4
81.07042	2.5
91.05470	5.7
94.04177	47.5
95.04958	2.0
95.08613	0.5
98.23436	1.1
105.03383	0.8
105.04475	0.6
107.04962	2.4
109.06509	1.4
122.03633	68.2
123.03942	1.5
135.04398	1.0
137.02425	1.7
137.05962	100.0
138.06308	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.7
53.03940	0.7
55.01857	0.5
62.31990	0.3
65.03940	1.8
66.04711	5.4
67.05488	3.2
77.03925	1.2
79.05484	4.5
81.03394	0.4
81.07055	2.9
91.05470	4.9
93.03402	0.4
93.07065	0.4
94.04175	41.2
95.04479	0.7
95.05004	2.2
95.08604	0.9
98.22672	0.8
105.03391	0.6
105.04507	0.6
107.04942	2.9
109.06503	1.3
109.10152	2.2
119.08547	0.9
121.06482	0.4
122.03630	64.1
122.07249	4.7
123.03984	1.9
135.04398	0.5
137.05956	100.0
137.09555	5.5
138.06300	3.1
138.10001	0.3
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
51.02372	0.6
53.03938	1.0
55.01868	0.5
65.03934	1.6
66.04717	5.7
67.05495	2.0
69.62473	1.2
77.03925	1.0
79.05486	4.5
81.07064	2.5
91.05473	4.3
93.03360	0.3
93.07024	0.3
94.04180	44.2
95.04457	0.7
95.04971	1.3
95.08597	1.0
97.24929	0.3
98.22814	0.5
105.03397	0.8
105.04509	1.0
107.04962	2.5
109.06511	0.6
109.10153	2.0
119.08561	1.0
121.06502	0.7
122.03638	67.7
122.07260	5.2
122.33006	0.3
123.03960	1.9
135.04431	0.8
137.05968	100.0
137.09573	5.0
138.05453	0.7
138.06326	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02368	0.4
53.03938	0.9
55.01868	0.7
55.05505	0.4
65.03933	1.3
66.04713	6.3
67.05503	4.0
69.03438	0.4
69.32699	1.0
69.33101	0.6
76.60600	0.3
77.03931	1.5
79.05487	5.1
80.37077	0.3
81.03384	0.3
81.07043	3.7
91.05468	5.5
93.07047	0.7
94.04176	44.8
95.04571	0.4
95.04964	2.4
95.08589	1.8
105.03351	0.6
105.04501	0.8
107.04941	3.8
109.06503	1.5
109.10135	3.3
111.58748	0.3
119.08562	1.6
121.06437	0.8
122.03632	65.9
122.07267	9.5
123.03991	1.9
123.07567	0.4
135.04395	1.1
135.08073	0.4
137.05959	100.0
137.09575	11.0
138.06296	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03941	0.5
54.33257	0.3
55.01849	0.9
55.05490	0.5
65.03936	2.1
66.04720	5.5
67.05498	1.3
73.99272	0.4
76.48788	0.4
77.03927	1.1
79.05486	5.5
81.03416	0.7
81.07038	3.9
86.62601	0.4
91.05487	3.3
94.04181	48.0
95.04449	1.1
95.04970	1.6
95.08597	1.3
98.22620	0.4
105.03394	0.4
105.04501	1.0
107.04958	2.5
109.06498	1.3
109.10118	1.0
111.68036	0.4
117.25593	0.4
122.03638	66.2
122.07262	1.0
123.03971	1.7
137.05965	100.0
137.09514	2.0
138.06302	2.3
147.34608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02369	0.5
53.03941	0.6
55.01870	0.4
56.77091	0.3
65.03933	1.5
65.79686	0.3
66.04718	6.3
67.05497	1.5
69.03403	0.4
69.17554	1.5
69.17984	0.6
77.03925	1.0
79.05495	4.1
81.03429	0.4
81.07046	2.1
83.81698	0.3
86.14850	0.3
91.05471	3.9
93.67415	0.3
94.04180	44.3
95.04480	0.9
95.04981	2.1
95.06108	0.5
95.08624	0.8
105.03393	1.1
105.04510	0.8
107.04953	1.4
109.06519	0.8
118.98640	0.3
122.03638	63.8
123.03961	1.8
137.02553	2.2
137.05966	100.0
138.01779	0.4
138.05588	0.3
138.06343	2.9
151.75986	0.3
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
53.03926	0.8
55.01865	0.4
55.04633	0.4
65.03929	1.8
66.04713	6.4
67.05489	1.6
74.96672	0.4
77.03933	1.1
79.05490	4.0
81.07054	3.0
91.05479	4.5
94.04176	45.1
95.04450	0.8
95.04964	2.6
95.08624	1.1
105.03399	0.6
105.04498	0.7
107.04940	2.2
108.06859	0.5
108.77696	0.4
109.06492	1.2
109.07597	0.5
110.05997	0.7
115.89545	0.4
122.03632	65.8
122.07232	0.8
123.03975	1.6
135.04442	0.5
137.02548	2.2
137.05959	100.0
137.09576	1.4
138.01675	0.8
138.05472	0.8
138.06328	3.8
146.26563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02369	0.5
53.03949	0.3
55.01858	0.6
59.78644	0.2
65.03926	1.7
66.04720	7.2
67.05496	0.6
69.03420	0.4
70.93255	0.4
73.26679	0.2
77.03925	1.5
79.05480	4.1
81.07046	1.8
84.92661	0.2
91.05471	3.3
93.03458	0.2
94.04176	52.4
95.04491	0.7
95.05019	1.6
105.03369	0.5
105.04514	0.6
107.04939	1.7
109.06512	0.7
122.03632	70.7
123.03963	2.0
135.04413	0.8
137.05959	100.0
138.06287	2.9
149.63496	0.2
149.64691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.30798	0.4
51.02379	0.5
53.03944	1.0
55.01870	1.5
55.05503	3.5
57.70010	0.4
65.03939	2.2
65.36030	0.3
66.04721	7.3
67.05501	11.4
69.03425	3.8
69.07063	0.4
69.33834	0.8
69.34237	1.8
75.12930	0.4
76.76004	0.4
77.03918	1.1
79.05488	5.9
81.03418	1.1
81.07049	5.9
84.70155	0.4
90.89217	0.4
91.05476	5.8
93.07037	1.5
94.04181	48.3
95.04996	4.2
95.08601	4.3
96.04441	0.4
105.03395	0.6
105.04529	1.0
107.04979	2.0
107.08609	0.5
109.06510	2.7
109.07637	0.7
109.10138	2.7
110.05989	0.7
111.08073	0.9
119.04931	0.6
119.08575	0.4
122.03640	65.5
122.07231	0.9
123.03977	1.5
123.90506	0.4
135.04407	0.5
137.02548	2.6
137.05968	100.0
137.09554	6.4
138.01756	0.6
138.05431	1.2
138.06319	3.9
138.09071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02359	0.8
53.03941	2.3
55.01863	2.7
55.05261	0.7
55.05512	14.5
56.02184	0.7
57.03424	0.8
59.71169	0.7
62.33368	0.7
65.03934	3.8
66.04725	6.3
67.05503	51.5
69.03431	17.4
69.07059	2.3
70.19803	0.6
71.04984	0.9
71.41865	0.6
72.17015	0.6
73.56137	0.6
74.23863	0.7
77.03928	1.5
79.05487	11.1
81.03413	1.5
81.07056	18.8
82.07387	0.7
91.05484	13.4
92.05783	0.7
93.07037	8.4
94.04184	44.2
94.06547	1.2
94.07864	1.3
95.04473	0.9
95.04978	9.4
95.08603	16.3
96.05744	1.0
104.48478	0.7
105.04511	1.8
105.06997	1.2
107.04955	3.3
107.08585	3.2
109.06528	6.2
109.07635	0.9
109.10154	12.8
110.06052	1.3
111.08076	6.2
117.06991	0.9
119.06075	1.0
119.08591	2.7
122.03645	59.8
122.07285	2.7
123.04001	1.5
124.28448	0.7
135.04475	0.6
137.02499	5.8
137.05974	100.0
137.09602	29.1
138.01746	1.2
138.05434	3.6
138.06345	2.5
138.09126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02367	0.6
53.03938	2.2
54.39836	0.4
55.01860	2.0
55.05506	11.0
57.03424	1.1
60.89310	0.5
65.03689	0.4
65.03942	4.2
65.14490	0.5
66.04713	6.3
67.05499	50.0
68.05828	0.9
69.03420	2.6
69.07056	2.4
77.03912	1.5
79.05487	11.1
81.03423	2.5
81.06557	0.9
81.07049	19.5
82.06599	0.6
83.04967	0.8
84.87861	0.5
91.05470	15.8
93.07038	4.4
94.04179	49.3
94.06529	0.7
95.04975	11.5
95.08598	9.7
98.17065	0.6
103.05453	0.7
105.03394	0.7
105.04509	1.7
105.07011	0.7
107.04951	5.0
107.08599	4.1
108.05738	0.5
108.06808	0.8
109.04237	0.5
109.06509	10.1
109.07642	1.3
109.10149	33.1
110.06042	1.3
110.10479	0.7
117.07046	1.0
119.06087	1.5
119.08569	4.9
120.04456	0.7
121.06486	1.6
122.03637	71.6
122.07267	12.8
123.03957	2.4
135.04396	0.8
135.07953	0.6
137.02516	5.4
137.05968	100.0
137.09592	25.4
137.10620	0.9
138.01726	1.6
138.05399	4.0
138.06398	2.7
138.09088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03942	1.0
54.54958	0.4
55.01870	0.5
55.05505	2.3
58.89834	0.4
60.19896	0.4
61.45206	0.4
65.03938	1.2
66.04713	1.9
67.05501	26.1
69.03436	1.3
69.07069	1.1
69.37735	2.1
77.03940	1.5
79.05490	4.2
81.07052	8.7
91.05475	12.4
92.05841	0.5
93.07037	4.4
94.04182	9.8
94.07825	1.2
95.04974	4.5
95.08604	6.5
98.23475	0.8
103.05476	1.2
104.06245	1.4
105.04519	1.2
107.04945	23.6
107.08594	1.8
109.06518	1.6
109.10148	33.6
110.10490	0.9
115.05474	0.7
117.07016	2.1
119.08578	15.2
121.05625	0.5
121.06501	9.0
122.03654	13.2
122.07278	100.0
123.07615	1.9
135.08072	4.5
137.02458	0.7
137.05974	20.6
137.09604	87.8
138.06351	0.4
138.09949	2.8
149.07086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02374	0.8
53.03947	2.0
55.01869	2.8
55.05511	4.2
56.32047	0.4
61.81723	0.3
65.03938	3.6
66.04720	6.4
67.05501	33.7
68.05009	0.4
69.03423	2.6
69.07069	2.2
69.33025	1.8
74.46461	0.4
77.03914	1.6
79.05486	10.0
80.04997	0.5
81.03415	2.5
81.07050	15.2
82.06558	0.5
83.04979	1.6
91.05476	21.7
92.04975	0.6
92.05830	0.7
93.07035	5.2
94.04182	48.1
94.06525	0.9
94.07838	1.1
94.39846	0.4
95.04516	0.8
95.04972	11.4
95.06068	0.8
95.08599	8.1
96.04434	0.6
98.23123	1.5
103.05457	0.7
104.06254	0.9
105.03387	0.9
105.04494	2.3
105.07029	0.7
107.04949	13.0
107.08578	2.2
108.05759	0.9
108.06864	0.7
109.06512	22.9
109.07664	1.3
109.10150	22.9
110.06042	1.6
110.06759	0.7
110.10473	0.6
117.07008	1.8
119.04935	0.4
119.05266	0.3
119.06063	2.6
119.08569	7.7
121.06498	3.9
122.03641	68.0
122.07277	36.0
123.03979	1.6
123.07610	0.9
135.04399	0.5
135.08060	1.6
137.02539	6.7
137.05971	100.0
137.09599	39.7
137.10486	0.9
138.01765	1.7
138.05421	4.3
138.06384	2.9
138.09033	1.0
138.09972	1.2
139.79129	0.5
148.66058	0.4
150.58662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02369	0.8
53.03930	1.4
55.01869	1.5
55.05505	2.8
65.03920	2.1
66.04713	6.2
67.05497	26.9
69.03416	2.0
69.07048	1.7
77.03909	2.9
77.76145	0.5
79.05482	8.3
81.07046	11.1
91.05470	15.9
93.07001	3.3
94.04177	46.5
94.07820	1.3
95.04489	0.8
95.04980	6.0
95.08595	7.2
103.05473	1.5
104.06229	1.4
105.03359	0.6
105.04497	1.6
107.04940	24.4
107.08572	2.0
108.05300	0.5
109.06517	3.0
109.10143	28.9
110.10470	1.0
115.05443	0.6
117.06994	2.8
119.08566	16.7
121.06490	9.1
122.03635	66.3
122.07271	99.1
123.03955	1.9
123.07597	1.9
132.20209	0.5
135.08011	3.1
137.05965	100.0
137.09593	89.0
137.92674	0.4
138.06305	2.5
138.09938	1.9
139.07491	0.6
144.51566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03940	1.7
55.05512	7.1
57.07073	10.9
57.55402	0.7
64.87646	0.6
65.03923	2.7
66.04713	2.9
67.05500	33.4
68.05846	1.2
69.03411	1.2
69.07060	8.1
79.05485	13.7
80.05007	1.1
81.07050	84.7
82.07359	1.3
91.05467	6.0
93.07029	8.6
94.04185	19.5
95.04967	3.4
95.08598	100.0
96.08939	2.1
102.04565	0.8
107.04941	2.0
107.08620	0.9
109.06510	2.3
109.07604	0.8
109.10149	10.7
117.06349	0.8
119.08574	2.3
122.03635	31.3
122.07241	4.8
123.04007	1.7
137.02531	4.7
137.05971	45.3
137.06973	2.1
137.09598	6.2
137.13232	9.4
138.01770	2.2
138.05479	1.9
138.06381	1.4
138.09070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
51.43119	0.3
53.03947	1.4
55.05511	6.2
57.07075	14.6
57.70942	0.4
58.58826	0.4
65.03943	1.5
66.04732	0.5
67.05501	29.1
69.07063	7.3
69.42007	1.9
71.08655	0.6
77.03923	0.4
77.33586	0.4
79.05488	11.0
81.07052	84.5
81.56886	0.4
82.07384	1.6
82.13359	0.4
84.43819	0.3
90.43941	0.4
91.05468	0.9
93.07036	7.0
94.04179	2.4
95.04977	1.1
95.08600	100.0
96.08944	2.3
107.08603	1.5
108.09361	1.5
109.06495	0.4
109.10160	9.8
122.03644	2.8
122.07291	0.9
135.11691	0.7
137.02452	1.1
137.05989	4.8
137.07007	0.9
137.09599	1.3
137.13242	11.3
138.01729	0.5
138.05446	0.7
138.06374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03941	0.3
65.03951	0.9
67.05502	1.0
69.43797	0.9
78.03446	0.7
79.04207	0.2
81.94257	0.2
92.04995	6.9
93.05782	0.6
94.06556	18.2
95.06883	0.4
96.04477	2.7
97.32652	0.2
98.22712	0.4
110.06031	11.7
112.51502	0.2
118.40968	0.2
122.05184	0.2
124.24622	0.2
138.05484	100.0
139.05843	2.6
141.30211	0.2
154.04991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98622	0.5
56.96560	30.7
71.95249	1.6
98.97573	100.0
99.97927	0.5
116.98610	59.9
134.99649	19.6
135.03180	0.5
140.00160	0.6
153.00685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98628	0.8
55.23254	0.5
56.67989	0.5
56.96558	30.1
70.70865	0.8
71.95248	2.1
98.97569	100.0
99.97852	0.8
100.55096	0.7
109.18710	0.5
116.98605	52.9
117.98978	0.6
130.18610	0.6
134.99641	18.4
152.19133	0.5
153.00745	1.0
158.01288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68597	5.4
69.68974	8.2
100.02496	5.2
101.00879	29.2
115.53694	2.5
118.03525	10.0
119.01913	100.0
127.68726	2.8
136.04541	6.1
137.02948	23.9
142.03452	22.7
156.21826	2.7
160.04536	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97284	2.5
70.91749	2.8
82.99831	3.0
97.75472	2.4
99.64643	2.8
100.02445	3.7
100.98035	3.7
101.00874	27.8
110.87567	2.1
116.47067	2.4
118.03492	11.3
119.01907	100.0
120.02041	3.0
136.04526	5.7
137.02953	25.0
142.03467	18.3
145.48877	3.1
160.04523	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12033	3.4
58.94248	3.4
70.73341	3.5
82.99822	4.3
98.23048	4.3
100.02500	4.7
100.97192	3.2
101.00868	35.2
101.68130	2.9
118.03529	9.9
119.01918	100.0
120.02116	3.8
136.04550	8.2
137.02937	26.3
142.03484	16.5
160.04596	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12510	1.3
53.52958	1.4
56.96574	2.2
59.26029	1.3
62.76011	1.5
63.73365	1.4
70.46578	2.1
70.99840	2.8
81.04539	4.9
82.06582	2.1
82.99841	3.6
95.06081	2.3
95.71895	1.2
96.08102	1.8
100.02477	2.7
101.00869	36.9
114.05578	1.4
118.03508	7.9
119.01907	100.0
124.02439	1.5
136.04556	7.1
137.02937	19.2
142.03477	11.4
142.04483	1.5
142.04893	1.3
142.08597	1.6
143.03410	1.8
143.08231	1.3
160.04599	4.5
161.02916	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
55.97296	0.7
56.96562	3.7
58.06598	7.8
58.99858	3.5
68.05022	1.4
68.43226	0.7
69.04543	1.1
69.31046	0.8
70.06579	5.4
70.99870	6.3
77.00908	2.6
78.18294	0.7
81.04535	59.3
82.05309	1.3
82.99837	3.5
83.06111	2.2
84.04485	1.1
84.08134	67.0
89.00896	2.7
91.80103	0.8
95.06084	30.6
97.07644	5.2
98.06049	1.4
98.09679	22.0
101.00871	40.3
101.53089	0.7
102.00951	3.1
102.05581	1.0
112.39223	0.7
119.01907	100.0
120.02009	4.0
125.07106	22.3
137.02942	16.0
138.02957	0.7
142.03488	1.3
143.01886	3.2
143.03391	2.4
143.08144	12.7
144.10181	58.1
161.02927	3.8
164.47461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63131	0.3
54.03468	0.4
55.01863	0.5
55.05510	0.3
56.96562	11.1
57.03428	0.7
58.06595	0.6
58.99856	1.3
59.04989	0.4
60.95855	1.6
61.02913	0.8
68.05036	0.5
69.03419	1.0
69.04543	0.4
70.06599	1.4
70.98125	0.4
70.99853	1.9
73.02890	0.3
74.97614	0.3
77.00887	1.4
80.05000	0.3
81.04533	28.0
82.05323	0.4
82.99819	1.5
83.01328	0.7
83.06089	1.3
84.04497	0.5
84.08134	16.9
87.04461	1.0
89.00862	1.3
91.41204	0.3
95.01922	0.3
95.06083	15.0
97.02888	0.9
97.07647	1.4
98.00674	0.3
98.06064	1.1
98.09681	6.0
98.97562	1.1
99.05540	0.7
100.02473	0.4
101.00869	24.9
101.95042	0.5
101.97186	0.7
102.00948	1.8
102.96872	3.9
103.02399	0.3
107.06049	0.5
107.27051	0.3
107.53419	0.3
111.00837	0.3
112.29411	0.3
115.03819	0.3
116.98615	0.5
118.03519	0.5
119.01907	100.0
119.96041	0.3
119.98213	0.4
120.01995	7.7
120.02968	0.5
120.97890	3.7
121.01650	1.2
121.02417	0.6
124.02484	0.5
125.02357	0.8
125.07103	11.4
131.01863	0.4
133.03493	0.4
134.99635	0.6
137.02945	31.6
138.03014	2.7
138.04091	0.4
138.98911	2.4
140.44943	0.3
142.03499	1.7
143.01917	1.1
143.03412	5.5
143.08136	6.5
143.11800	0.7
144.05103	0.3
144.10188	8.5
160.04625	0.5
160.97638	0.4
161.02956	2.7
161.04688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
55.97296	0.7
56.96562	3.7
58.06598	7.8
58.99858	3.5
68.05022	1.4
68.43226	0.7
69.04543	1.1
69.31046	0.8
70.06579	5.4
70.99870	6.3
77.00908	2.6
78.18294	0.7
81.04535	59.3
82.05309	1.3
82.99837	3.5
83.06111	2.2
84.04485	1.1
84.08134	67.0
89.00896	2.7
91.80103	0.8
95.06084	30.6
97.07644	5.2
98.06049	1.4
98.09679	22.0
101.00871	40.3
101.53089	0.7
102.00951	3.1
102.05581	1.0
112.39223	0.7
119.01907	100.0
120.02009	4.0
125.07106	22.3
137.02942	16.0
138.02957	0.7
142.03488	1.3
143.01886	3.2
143.03391	2.4
143.08144	12.7
144.10181	58.1
161.02927	3.8
164.47461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05503	15.8
57.07067	18.1
59.04984	2.1
60.95849	1.7
65.03912	1.9
65.27567	1.4
67.05506	7.6
68.81805	1.5
69.03401	5.9
69.07043	3.4
69.11716	1.6
71.04985	100.0
71.43309	2.0
72.48213	1.4
73.06549	11.2
79.05470	6.0
81.07028	3.9
83.04964	10.8
83.08617	10.4
85.06053	1.9
85.06538	38.0
91.05461	2.2
91.73259	1.3
97.06536	1.5
97.10150	12.1
98.06044	1.6
102.96869	4.0
104.06232	1.6
105.06973	2.4
105.14832	1.3
107.08580	28.4
115.05437	1.4
125.09622	18.8
128.06197	16.8
138.99011	2.2
139.01779	2.1
143.03383	2.4
143.08533	5.3
143.10684	4.8
154.61966	1.4
155.06056	1.6
158.85934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
50.43922	1.6
53.88734	1.4
55.05510	18.7
57.07067	17.3
59.04987	2.6
59.96176	1.5
60.95841	3.3
60.98753	1.6
67.05499	7.3
69.03414	8.5
69.07050	3.0
69.41287	2.8
69.41694	4.6
70.06580	2.8
71.04986	100.0
72.35113	1.5
73.06546	11.1
79.05483	4.7
81.04526	2.0
81.07047	5.1
83.04967	12.3
83.08610	9.3
84.04499	2.0
85.06538	38.7
91.05476	4.1
93.39030	1.4
97.02908	3.3
97.10149	8.8
98.06077	3.2
102.96875	4.8
107.08576	28.5
115.05454	4.1
115.67433	1.5
120.97925	5.0
121.00751	2.2
123.15151	1.4
125.02345	2.2
125.09615	18.0
126.05617	1.7
128.06209	28.7
138.80141	1.3
138.98944	4.3
139.01813	4.2
143.03413	5.2
143.08521	6.3
143.10655	5.1
144.06644	1.7
144.08031	3.7
144.10143	1.5
145.06488	2.0
155.06033	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
51.03173	1.5
53.59818	1.6
55.05506	18.8
57.07077	19.0
59.04984	3.7
65.03937	2.9
67.05515	9.5
69.03419	6.3
69.07056	6.5
70.06604	2.6
70.67297	2.1
70.67638	1.7
71.04990	100.0
72.05329	1.5
73.06550	13.2
79.05483	6.1
81.07042	4.3
83.04979	12.4
83.08604	11.0
84.08126	2.1
85.06541	41.6
91.05473	2.0
97.10167	16.7
98.06036	2.4
102.96851	4.0
105.07075	1.9
107.08587	37.6
107.09328	2.0
115.05439	10.4
120.97822	3.0
125.09628	25.8
128.06218	30.5
139.01878	2.1
143.03432	2.6
143.08557	7.2
143.10690	6.3
144.08078	2.3
149.43381	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02687	2.4
60.95845	25.6
70.67884	4.9
79.00975	2.3
92.51248	2.2
98.06018	2.6
98.97564	4.2
101.00849	6.4
102.00917	25.3
102.96858	70.2
103.00628	26.2
119.01889	21.2
120.01987	100.0
120.03240	5.0
120.97890	53.1
121.01653	80.3
121.02503	4.6
128.69000	2.6
137.02959	5.1
138.03040	35.8
138.04195	5.8
138.98915	17.4
138.99927	4.2
139.02660	15.9
144.03232	16.8
162.04341	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	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56764	0.5
53.03931	1.0
55.01858	2.3
55.05252	0.8
55.05505	9.9
56.05033	1.4
56.96564	2.9
57.03426	2.3
57.92719	0.5
58.06578	4.2
60.20290	0.5
60.95842	1.4
69.03423	8.6
70.06586	8.3
71.04989	0.8
71.42942	0.6
73.02914	0.8
73.55365	0.4
74.67490	0.6
81.03407	0.8
81.04522	0.8
82.04866	2.1
82.06568	20.0
84.04488	3.0
84.08132	100.0
84.96023	0.6
85.02895	12.9
85.08463	1.6
89.03904	2.2
96.04462	0.6
96.06408	1.1
97.02875	2.3
98.06042	7.4
98.09679	61.1
98.97558	1.0
99.04463	4.5
99.05544	3.1
99.10014	1.3
102.00975	1.6
102.05544	1.2
102.96873	2.7
103.00636	1.7
116.98543	0.6
117.03346	0.6
119.01908	1.8
120.01988	8.1
120.03233	0.6
120.97906	2.7
120.98675	0.5
121.01653	6.6
126.05499	6.0
126.07448	0.8
127.03905	2.0
137.02911	0.7
138.03065	2.1
138.04254	1.0
138.98915	1.4
139.02744	2.5
144.03308	0.8
144.04781	0.6
144.06534	13.0
144.10179	54.0
145.04935	0.8
145.10490	1.0
146.10164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	(E)-4-(Trimethylammonio)but-2-enoate
Peak:m/z	Relative Intensity
55.05510	2.0
56.05038	0.7
57.03423	0.5
58.06592	3.9
61.68502	0.5
62.37400	0.4
69.03423	0.8
70.06586	12.1
71.04985	0.9
75.06222	0.4
79.77439	0.4
82.02971	0.4
82.04868	0.5
84.04505	1.8
84.08134	100.0
85.02892	1.2
85.06536	1.7
85.08468	1.7
90.97119	0.4
98.06047	1.6
98.09682	60.4
99.04442	0.7
99.05570	2.1
99.10040	1.0
102.00963	0.8
102.05536	0.5
103.00621	0.5
112.08703	0.6
114.05563	0.5
119.01901	1.3
120.01984	3.5
121.01665	1.7
138.03062	0.8
144.10184	52.8
145.10527	1.0
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-carboxaldehyde
Peak:m/z	Relative Intensity
53.67694	0.4
55.05495	1.2
55.68012	0.4
56.05029	2.1
57.03429	2.1
60.08150	1.1
64.92797	0.5
65.03931	1.3
69.03409	0.5
69.85236	0.8
69.85606	0.6
70.06588	0.5
71.05003	0.7
72.04501	1.4
72.08146	2.6
74.02426	0.5
77.03910	0.5
80.05029	1.0
81.03412	1.4
82.06577	3.2
83.04966	1.0
84.04500	39.5
85.02910	0.5
86.06075	2.1
87.04453	4.1
89.43825	0.5
91.05477	24.0
92.05804	0.4
95.04974	1.8
98.23134	1.2
100.07615	2.7
101.03869	0.5
101.07142	0.8
102.05534	0.8
103.05441	1.8
104.90812	1.3
105.04504	0.8
110.06055	0.8
111.04435	0.5
112.11222	0.9
117.05748	2.6
118.06532	12.2
119.04936	10.4
119.05920	0.8
119.06061	0.7
123.96453	2.0
128.04958	52.7
128.07008	1.5
129.04462	2.7
129.05342	1.4
130.04990	9.6
133.62546	0.4
146.06000	100.0
146.08067	3.9
146.91826	0.9
147.04434	4.7
147.05411	0.9
147.06438	2.5
147.07404	0.5
147.08034	0.5
147.09148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
52.55161	0.7
56.05026	2.2
57.03435	3.1
57.07070	1.1
61.04932	0.6
62.06402	0.6
63.25413	0.6
65.03939	3.5
69.03435	0.8
69.58994	2.7
69.77726	0.6
70.06612	0.6
70.91239	0.7
72.04486	1.0
72.08157	4.0
82.06569	2.8
83.04984	0.8
84.04499	19.5
85.02922	0.9
86.06050	2.6
89.03882	1.1
90.04246	1.9
91.05472	56.3
98.22749	1.3
100.04743	0.7
100.07604	3.1
101.22476	0.7
104.90807	2.5
106.69036	0.7
107.07928	0.7
110.06033	1.3
112.11210	0.9
117.05760	5.6
118.06532	100.0
119.04935	27.3
119.05899	1.3
119.06083	1.0
119.06788	3.4
119.08567	1.6
128.04965	5.2
130.04993	5.1
146.06001	41.0
146.07907	5.6
146.91846	1.2
147.04424	12.7
147.05505	2.2
160.65608	0.7
164.92892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51014	0.1
55.05507	0.4
55.35302	0.2
56.05027	4.0
56.82047	0.1
57.03434	0.3
58.06596	0.2
59.07376	0.2
60.05643	0.2
60.08158	21.1
61.08494	0.2
69.03432	0.5
71.04999	0.2
74.02431	0.3
82.06577	1.3
84.04496	100.0
84.08121	0.4
85.02894	1.5
86.06050	0.8
87.04459	46.8
88.04803	0.6
95.01319	0.2
100.07607	2.4
101.07130	1.9
102.05534	2.6
104.07086	0.2
119.01914	0.1
128.07101	0.3
130.04990	23.3
133.43707	0.1
136.36729	0.1
146.08110	0.5
146.11745	12.0
147.07611	0.5
147.12073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.16514	0.7
65.03936	11.6
70.50135	1.4
78.47079	0.7
84.04493	20.4
84.05015	1.2
91.05470	100.0
92.05820	1.9
98.22807	0.7
99.84751	0.6
102.05501	0.8
104.90823	1.5
119.04929	76.5
119.08617	1.0
119.72665	0.7
120.05272	2.9
130.05025	5.6
146.91908	1.6
147.04395	71.9
147.08081	1.4
147.09094	1.2
148.04855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10508	0.2
53.37545	0.2
56.05033	2.7
68.08467	0.2
69.97971	0.4
69.98303	0.4
76.82435	0.2
84.04498	100.0
85.02894	1.5
85.04838	1.1
94.78889	0.2
98.22763	0.5
98.23413	0.4
101.07132	2.0
102.05535	2.6
130.04993	27.1
131.05313	0.2
147.07620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
52.95277	0.3
56.05033	3.1
63.73803	0.3
69.67959	0.7
84.04494	100.0
85.02901	1.6
85.04828	1.3
87.04427	0.3
89.50622	0.3
98.23579	0.3
101.07134	2.3
102.05528	2.7
124.16705	0.3
130.04987	26.1
131.05354	0.5
147.07617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.97205	0.7
53.03956	0.9
55.05510	17.1
62.32736	0.6
65.03936	0.8
67.05487	3.7
69.07079	3.8
71.41730	0.6
75.02900	0.7
77.03920	0.9
79.05478	10.9
81.07055	2.0
91.05475	51.6
92.05798	1.3
93.07046	5.2
95.04961	3.0
103.05463	4.9
104.06242	2.1
104.86664	0.7
105.07021	91.8
106.07350	2.4
107.04946	15.0
107.08581	3.7
115.05420	1.5
117.07010	16.7
118.07763	2.0
119.08572	100.0
120.08899	2.9
128.06216	1.1
129.07008	2.5
130.07764	0.7
131.04831	0.7
131.08548	1.2
132.05734	7.0
132.09358	3.0
145.06502	1.3
145.10133	5.7
147.05531	2.0
147.08035	35.4
147.11671	41.9
148.08417	1.4
148.11987	2.1
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	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
65.03927	3.3
66.96297	0.8
67.05492	1.5
69.07053	1.9
70.95898	1.0
75.13223	0.8
79.05490	5.5
80.60312	0.8
82.90789	0.9
84.04494	9.2
91.05473	58.4
92.05804	3.1
93.07049	3.7
95.04964	1.6
103.05451	2.4
104.06233	2.1
104.48247	0.7
105.07022	64.0
106.07363	2.2
107.08576	6.0
115.05423	2.1
116.06224	2.9
117.07020	13.7
119.04931	21.8
119.08570	100.0
120.08907	3.1
121.10113	1.4
129.06993	2.4
130.04979	1.9
130.07785	1.9
131.08565	4.3
132.05646	0.7
132.09357	8.8
145.10124	14.5
147.04416	10.1
147.05478	0.9
147.08029	3.3
147.09128	1.9
147.11673	57.3
148.11993	2.1
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
55.05506	5.5
65.03927	3.3
66.96297	0.8
67.05492	1.5
69.07053	1.9
70.95898	1.0
75.13223	0.8
79.05490	5.5
80.60312	0.8
82.90789	0.9
84.04494	9.2
91.05473	58.4
92.05804	3.1
93.07049	3.7
95.04964	1.6
103.05451	2.4
104.06233	2.1
104.48247	0.7
105.07022	64.0
106.07363	2.2
107.08576	6.0
115.05423	2.1
116.06224	2.9
117.07020	13.7
119.04931	21.8
119.08570	100.0
120.08907	3.1
121.10113	1.4
129.06993	2.4
130.04979	1.9
130.07785	1.9
131.08565	4.3
132.05646	0.7
132.09357	8.8
145.10124	14.5
147.04416	10.1
147.05478	0.9
147.08029	3.3
147.09128	1.9
147.11673	57.3
148.11993	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.02386	0.9
53.03943	0.8
53.87214	0.8
55.05506	11.2
61.89481	0.7
65.03918	2.2
67.05493	3.1
69.07063	4.8
69.18966	1.8
69.19370	2.6
77.03915	1.3
79.05479	7.2
81.07034	2.4
84.04512	3.6
91.05473	50.3
93.07037	2.7
95.04974	1.4
103.05438	3.3
105.07021	100.0
106.07353	2.2
107.08568	3.3
107.19362	0.8
116.06296	1.2
117.07005	7.5
118.07764	0.8
119.04942	15.1
119.08569	88.8
120.08905	2.8
123.96409	1.0
129.07013	0.9
130.07774	1.4
131.08563	1.6
132.09338	4.1
145.10112	8.4
147.04425	6.4
147.05484	1.4
147.08014	3.6
147.11673	47.5
148.07581	0.7
148.11983	1.9
158.33507	0.8
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
53.03936	0.4
55.01884	0.5
55.05510	0.4
57.32323	0.3
63.02290	0.3
63.81427	0.3
65.03935	18.8
66.04243	0.5
66.07065	0.3
67.05473	0.4
69.07066	0.4
77.03930	1.6
78.04704	1.0
79.05489	2.8
81.07046	0.8
84.56482	0.3
91.05471	22.2
92.05788	0.4
93.03396	5.4
93.07037	8.0
94.04147	0.3
95.04966	3.2
98.03698	0.3
103.05444	0.7
105.04506	1.1
105.07021	4.1
106.04176	0.9
107.04936	0.7
107.08595	3.3
108.04463	0.3
108.05726	1.2
109.06513	4.1
111.04433	4.6
115.05440	1.7
117.06982	1.8
119.04991	0.3
119.06039	1.6
119.08590	1.0
121.02858	21.8
121.03974	8.2
121.06493	100.0
121.10123	5.4
122.03126	0.4
122.06802	2.4
129.61017	0.3
131.08554	1.5
133.06496	0.4
133.10117	1.1
134.07254	2.2
134.10912	0.7
147.08026	1.0
149.02327	41.3
149.05989	3.8
149.07076	0.7
149.09604	21.0
149.13229	1.5
150.02678	0.9
150.09943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03931	1.6
55.01869	2.2
55.05496	2.2
65.03932	47.4
66.04219	0.9
66.84589	0.7
69.03403	2.7
69.07051	1.4
69.59207	1.9
72.81270	0.7
77.03930	2.5
79.05487	15.3
81.07040	2.7
88.59630	0.6
89.03889	0.7
91.05467	28.0
92.05782	1.0
93.03394	13.3
93.07032	30.1
94.07375	1.0
95.04958	7.8
103.05439	4.7
105.04494	2.3
105.07013	16.8
106.04179	1.5
106.07800	1.2
107.04945	7.6
107.08588	8.0
109.06513	3.9
111.04436	10.0
115.05423	1.7
116.06250	3.5
117.07026	0.8
119.04854	0.8
119.08564	2.7
121.02848	57.5
121.03966	18.5
121.06487	43.5
121.10123	14.8
122.03172	2.1
122.04305	0.8
122.06850	1.0
123.08027	1.8
129.06992	1.4
131.08554	6.6
133.07582	1.6
149.02322	100.0
149.05981	5.3
149.09598	42.9
149.13261	2.3
150.02670	3.2
150.09999	1.1
160.94009	0.7
167.03409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.29888	1.2
53.03936	2.7
55.01859	2.3
55.05496	4.5
65.03934	47.9
67.05487	3.6
69.03416	10.1
69.07058	3.8
71.23254	1.2
77.03917	2.6
79.05056	1.4
79.05489	21.6
81.07057	5.8
91.05470	40.7
92.05835	1.4
93.03391	10.5
93.07032	56.0
94.06577	1.5
94.07341	1.1
95.04958	9.8
95.08576	1.5
97.45321	1.0
98.22779	1.2
103.05453	6.3
105.04478	4.5
105.07022	27.5
106.06524	2.3
107.04943	2.9
107.07326	9.4
107.08581	18.7
108.04456	1.2
109.06491	4.3
111.04440	8.9
115.05448	2.1
116.06221	8.5
119.08577	6.4
121.02846	58.6
121.03959	22.2
121.06493	19.3
121.10129	29.0
122.09666	5.5
123.08121	2.5
129.06985	2.9
131.08557	13.4
133.07590	2.0
135.06805	2.2
149.02321	100.0
149.09602	26.4
149.13237	5.0
150.02628	3.9
150.09120	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	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03930	0.9
54.27104	0.7
55.01869	1.0
55.05511	6.2
57.07066	1.8
64.51633	0.7
65.03937	46.9
66.04282	1.4
67.05482	1.5
69.06770	0.8
69.07067	8.1
69.52352	2.9
77.03918	1.2
79.05489	17.6
81.07040	5.7
88.54562	0.7
91.05473	25.9
92.05810	1.3
93.03395	13.2
93.07038	41.0
94.07352	1.1
95.04964	5.6
95.08600	1.9
98.22655	1.3
103.05463	4.0
105.04477	1.7
105.07027	21.5
107.04926	1.5
107.08582	44.7
108.04451	1.0
108.08868	1.0
109.06499	3.4
111.04439	11.1
116.06213	2.0
119.06066	2.2
119.08599	4.4
121.02853	54.8
121.03966	21.5
121.06496	5.0
121.10136	27.7
122.03179	2.4
122.10524	1.2
123.08068	1.8
129.07040	0.8
131.08577	3.5
133.10115	2.1
134.10913	1.2
138.40402	0.8
149.02330	100.0
149.09598	13.2
149.10677	1.4
149.13231	11.6
150.02641	4.9
150.03696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03953	1.3
55.05505	5.3
57.07075	3.0
65.03935	9.7
69.07065	5.9
69.59088	3.6
69.59445	1.7
77.03931	1.6
79.05484	12.7
81.07069	1.7
84.07729	1.1
84.28619	1.3
91.05476	18.4
91.31015	1.1
92.04852	1.0
93.03403	2.7
93.07034	16.9
95.04958	2.2
103.05489	3.6
103.29128	1.3
105.07023	40.5
106.07813	1.4
107.08582	36.1
109.06527	3.7
111.04424	1.7
119.06041	2.1
119.08566	11.3
120.09337	1.4
121.02870	10.1
121.03980	3.9
121.06507	2.1
121.10136	100.0
122.10478	2.4
123.08046	7.1
131.08681	1.2
133.07634	4.7
133.10129	2.3
134.10892	3.9
149.02321	20.1
149.09599	6.8
149.13243	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	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03932	1.6
55.05508	11.7
64.29716	0.9
65.03938	39.9
67.05504	4.6
69.07066	13.8
69.82945	1.7
71.66068	0.9
77.03923	2.6
79.05488	21.5
81.07050	19.0
82.07355	1.2
83.08599	1.3
91.05474	27.3
93.03395	8.6
93.07041	72.8
94.07360	1.3
95.04955	7.9
95.08582	3.7
103.05434	2.3
105.04509	2.7
105.07025	24.8
107.04935	1.7
107.08586	100.0
108.08907	2.3
109.06539	4.9
111.04436	6.8
114.63382	1.0
119.06061	2.8
119.08590	3.7
120.19756	1.1
121.02859	51.9
121.03969	17.1
121.06471	4.8
121.10138	63.9
122.03194	2.5
122.10485	2.4
123.08054	3.4
131.08578	2.0
133.07617	2.1
149.02332	84.6
149.09621	8.0
149.13245	21.8
150.02710	4.1
150.13574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03939	3.4
55.05513	11.4
65.03938	47.0
67.05503	8.4
69.03450	1.4
69.07059	20.1
69.70425	4.3
77.03927	3.6
79.05044	1.7
79.05492	30.3
81.07057	32.6
83.08600	2.0
91.05477	32.6
93.03407	10.9
93.07041	98.9
94.07371	1.8
95.04971	9.9
95.08588	7.0
98.55718	1.1
105.04516	4.1
105.07026	19.3
107.08591	100.0
108.08848	1.6
109.06503	3.8
111.04443	8.6
119.06050	4.5
119.08570	3.2
121.02860	47.9
121.03968	17.2
121.06516	3.4
121.10137	63.0
122.03226	2.1
122.10471	1.2
123.08023	1.3
131.08502	2.8
133.07593	1.9
147.11594	1.7
149.02335	96.4
149.09613	4.6
149.13252	32.9
150.02657	4.9
150.03760	1.4
150.13548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03935	3.4
55.05501	7.2
65.03936	45.3
67.05497	17.0
69.07064	9.7
70.63107	2.5
76.15269	1.9
77.03944	2.7
79.05037	2.6
79.05486	35.4
81.03411	1.3
81.07050	45.2
83.08602	2.5
91.05471	18.6
93.03409	11.1
93.06445	2.6
93.07036	54.0
95.04937	4.6
95.08593	9.3
100.58273	1.2
104.22723	1.4
105.04486	2.7
105.06362	1.3
105.07016	5.0
107.04945	19.7
107.08587	44.2
108.04473	3.4
111.04440	9.9
112.52357	1.5
119.05006	1.2
119.08487	1.4
120.05707	2.7
121.02856	49.8
121.03968	19.2
121.06561	1.9
121.10130	12.5
122.03156	1.4
149.02327	100.0
149.09669	7.6
149.13245	23.7
150.02673	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03935	1.4
53.39394	0.6
55.01862	1.4
55.05505	5.3
57.07074	1.4
65.03937	49.2
66.04268	1.4
67.05497	2.3
69.03425	1.2
69.07067	8.3
69.58236	0.7
71.01663	1.0
73.66840	0.6
77.03931	1.9
78.04706	1.5
79.05043	0.9
79.05489	14.7
81.07047	12.7
84.21958	0.8
89.03924	1.3
91.05470	20.6
91.27446	0.6
92.05784	0.7
93.03398	11.0
93.07037	40.5
95.04974	4.6
95.08585	2.1
98.03632	0.8
103.05455	2.4
105.03373	0.9
105.04481	1.9
105.07018	13.1
106.04179	1.1
107.08586	35.3
108.04472	2.2
108.08868	0.9
109.06492	2.5
111.04433	11.1
116.06229	1.7
119.06029	2.0
119.08571	2.5
121.02853	53.2
121.03963	22.7
121.06495	5.4
121.10130	20.8
122.03190	2.0
122.06039	1.0
123.08036	1.7
126.97818	0.7
129.06987	1.0
131.08545	3.2
133.06564	0.9
133.07629	1.5
149.02328	100.0
149.05981	2.1
149.09610	7.3
149.12111	0.9
149.13240	11.1
150.02661	4.1
150.03641	0.7
157.10257	0.7
167.03354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.01590	0.9
51.02368	1.5
52.03163	1.6
53.03942	5.3
55.01870	2.5
55.05498	0.7
65.03933	11.5
65.70242	0.4
67.05162	0.8
67.05497	11.7
69.03408	0.6
69.07045	0.6
69.07948	0.5
69.39825	1.5
69.40234	1.3
77.03924	7.4
79.05479	1.8
80.02615	2.1
81.03402	1.2
81.07052	4.0
90.61573	0.5
91.05477	4.1
91.57077	0.5
93.03383	0.8
93.07037	1.5
95.04956	49.7
95.08590	2.6
95.09150	0.4
96.05310	0.9
98.03661	1.5
98.22686	1.0
105.03410	3.9
105.04493	10.3
105.07018	2.9
107.04936	0.9
107.08572	1.3
108.02088	21.8
109.06505	1.8
109.10135	2.1
111.04419	2.0
119.04929	1.4
120.13409	0.5
121.03965	2.1
123.04408	1.8
123.08058	2.5
123.11684	1.6
133.10133	1.1
136.01540	46.1
137.01877	0.9
151.03886	100.0
151.07446	3.8
151.11154	3.5
152.04254	1.5
154.02588	82.0
155.02936	1.8
155.33118	0.5
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	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03930	0.8
55.01866	1.2
55.05506	1.0
57.07056	0.8
63.08054	0.4
65.03933	5.9
67.05497	7.2
69.03419	1.6
69.07059	0.8
71.04982	0.7
71.43345	0.4
72.69632	0.4
73.76934	0.4
77.03920	1.5
78.04701	0.8
79.05484	6.5
80.06268	3.5
81.03399	1.2
81.06618	0.8
81.07050	6.6
82.06569	0.4
90.04686	1.6
91.05472	76.3
92.05798	2.1
93.03399	0.5
93.07030	6.0
95.04962	14.8
95.08601	5.3
97.06498	0.5
103.05482	0.7
105.03377	1.0
105.04491	2.4
105.07018	6.5
106.04160	1.0
107.04944	16.5
107.08579	5.6
108.02080	2.5
108.05732	14.7
109.06524	5.5
109.10143	4.0
110.06006	0.4
118.04159	1.2
119.04931	30.8
120.05213	0.7
121.06499	0.9
123.04416	1.6
123.08053	7.4
123.11678	1.5
133.06445	1.2
133.10106	2.0
135.04404	4.6
136.01584	2.6
136.05179	18.7
137.06010	2.6
139.56020	0.5
151.02817	1.1
151.03928	13.7
151.07524	100.0
151.11093	6.4
152.04259	0.6
152.07930	2.0
152.27097	0.4
154.02589	10.0
168.17976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03920	2.1
55.01864	5.9
55.05293	1.1
55.05507	12.0
57.03419	5.9
57.07079	1.4
65.03931	2.4
67.05497	64.8
68.87296	1.0
68.95602	1.1
69.03419	13.9
69.07068	5.2
69.59332	1.8
69.59676	3.4
71.04969	2.9
74.01096	0.9
77.03870	1.0
79.05486	40.5
80.05775	1.2
81.03405	2.4
81.07047	64.5
82.07380	2.1
83.04974	21.1
83.08611	1.0
85.06526	2.3
91.05472	60.2
93.07032	42.8
95.04963	21.4
95.08588	12.5
97.06523	1.5
105.04518	1.4
105.07017	78.4
106.06588	1.1
106.07335	3.0
107.08580	92.2
108.08920	2.0
109.06512	22.5
109.10143	42.7
119.06039	2.0
123.08064	6.4
123.11698	11.0
124.07576	1.3
131.08542	3.8
133.10112	78.7
134.10454	2.0
151.04900	1.0
151.08728	2.3
151.11162	100.0
152.03421	1.5
152.07037	3.1
152.11540	2.3
162.28818	1.1
164.22270	1.1
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	(+)-Sabinone
Peak:m/z	Relative Intensity
52.65082	0.2
53.03941	0.8
55.01861	0.2
55.05502	2.9
57.03445	0.3
57.07071	6.2
64.22528	0.2
65.03913	1.0
67.05498	15.0
69.03429	1.0
69.07056	2.2
70.71837	0.3
71.05006	0.3
77.03915	0.2
79.05486	11.1
80.05807	0.2
81.03400	0.3
81.07048	100.0
82.07375	1.9
91.05464	3.2
93.07036	4.3
94.07807	0.4
95.04975	1.5
95.08595	17.0
96.08098	0.3
96.08905	0.2
104.74728	0.2
105.07023	3.7
107.04945	0.4
107.08585	2.4
108.02104	0.3
108.09357	0.8
109.06512	3.9
109.10146	2.2
119.04906	0.6
121.10133	1.6
123.07240	0.3
123.08072	1.1
123.11692	31.0
124.12016	0.7
133.07607	0.3
133.10129	2.6
136.01604	0.2
151.02863	0.3
151.03893	1.4
151.05005	0.4
151.07539	1.6
151.08598	0.4
151.11166	10.8
152.07043	0.3
152.11514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03939	0.7
55.05511	3.1
55.55831	0.2
57.03418	0.3
57.06814	0.4
57.07075	6.2
59.05001	0.4
65.03938	0.9
66.04707	0.3
67.05501	15.5
68.05827	0.2
69.03413	1.3
69.07058	2.4
69.55720	0.7
71.04987	0.4
79.05489	10.9
81.07052	100.0
82.07378	1.8
83.08634	0.2
91.05474	3.2
93.07040	5.8
94.07822	0.4
95.04975	1.6
95.08598	16.2
96.08936	0.3
105.04534	0.3
105.07021	3.5
107.04897	0.3
107.08597	2.5
108.09396	0.4
109.06506	4.8
109.10141	1.8
111.17519	0.2
119.04916	0.8
121.10104	1.8
123.04393	0.5
123.08075	1.0
123.11698	33.6
124.12010	0.9
130.78616	0.2
133.10127	2.9
151.02838	0.3
151.03883	0.9
151.04964	0.3
151.07584	2.0
151.11169	11.8
152.07076	0.4
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
53.03941	0.6
55.01869	1.1
55.05497	2.1
57.03446	0.5
57.07066	1.1
59.05001	1.1
60.08461	0.5
62.07994	0.4
65.03936	1.1
67.05502	8.4
69.03436	2.5
69.07069	2.3
69.12694	3.2
69.18328	0.5
75.54301	0.5
77.03922	0.5
77.63139	0.4
77.93700	0.5
79.05486	5.1
81.03396	0.8
81.07052	16.4
91.05476	10.5
91.92461	0.4
93.07043	5.2
95.04976	4.9
95.08599	6.5
96.08160	0.6
97.06536	1.3
101.30124	0.4
101.73298	0.5
105.07018	12.3
107.04941	0.8
107.08586	7.2
109.06513	14.9
109.10145	9.5
119.04923	2.0
119.06071	0.7
121.06489	0.6
121.10080	2.2
123.04434	0.9
123.08064	5.7
123.11691	3.7
124.07593	3.5
131.08553	0.9
133.10124	6.0
134.72246	0.4
136.05212	1.0
136.08847	1.7
141.50175	0.5
151.02834	0.6
151.03885	1.3
151.05005	1.1
151.07648	3.8
151.11171	100.0
152.07062	1.3
152.11542	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.88196	0.4
53.03936	0.5
55.01864	0.7
55.05506	2.7
57.03421	0.8
57.07063	0.9
59.04991	1.5
65.03927	0.9
67.05499	7.3
69.03409	1.2
69.07050	2.0
70.53934	0.8
77.03870	0.4
77.98408	0.4
79.05490	4.7
81.03380	0.5
81.07052	14.4
83.04964	0.8
91.05475	8.6
93.07037	5.4
95.04972	3.7
95.08591	3.7
97.06510	2.0
105.07020	11.4
107.04916	0.6
107.08576	5.0
108.05722	0.9
109.06512	13.9
109.10147	9.7
119.04939	1.5
119.06009	0.7
121.06483	1.5
121.10113	2.9
123.08051	4.8
123.11684	4.5
131.08524	0.8
133.06424	0.5
133.10109	5.5
136.05156	0.6
136.08861	2.6
151.07536	1.8
151.11162	100.0
152.11522	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	151.148
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03944	0.8
55.05503	6.4
57.07071	18.1
58.79087	0.4
65.03927	1.5
66.65279	0.5
67.05499	41.6
69.03425	0.7
69.07062	10.6
70.94373	0.9
71.08630	5.4
71.42231	0.6
79.05482	5.2
81.07050	38.0
82.48600	0.5
83.08611	3.4
91.05477	4.5
93.07036	6.0
95.04977	2.8
95.08598	100.0
96.08918	0.7
97.64892	0.5
105.07044	3.9
107.04972	0.9
107.08587	4.4
108.09353	0.7
109.06519	7.6
109.10146	80.2
110.10503	1.6
119.04936	1.5
119.06074	0.6
121.06503	1.1
121.10148	0.7
122.07308	0.8
122.10911	0.9
123.08054	9.0
123.11690	7.9
127.84570	0.6
133.10138	2.1
135.08049	2.0
136.08827	10.8
151.07536	1.6
151.11165	80.9
151.14787	17.3
152.11530	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Paracetamol
Peak:m/z	Relative Intensity
50.01593	0.2
50.57385	0.3
51.02365	0.5
53.03929	0.4
55.01876	0.6
55.05505	0.4
56.96290	0.3
56.96558	5.7
57.03431	1.5
63.43903	0.2
65.03913	1.1
66.04694	0.3
67.05487	0.4
68.05009	0.3
68.05357	0.3
68.69937	0.2
69.03426	1.9
70.61784	0.4
70.98080	0.3
71.04974	0.3
73.02905	0.5
79.01848	5.7
79.05463	0.9
80.04993	0.4
81.03391	0.8
81.07050	0.3
82.06552	0.4
83.04951	0.2
84.96030	0.3
85.02882	0.9
91.02419	0.4
92.04442	0.4
92.04993	4.6
93.05764	2.3
94.06539	0.9
96.04487	0.3
96.08118	0.5
97.02879	2.5
98.03225	0.4
98.97576	0.9
100.02474	0.5
101.00894	0.4
103.02459	0.3
106.06515	0.8
107.01297	3.5
107.04930	0.7
107.07338	0.3
108.08099	2.8
109.02859	0.4
109.05128	0.3
110.02166	0.3
110.03528	1.4
110.06028	9.8
110.97556	3.9
115.02407	0.8
116.98589	0.7
117.04000	0.2
119.01887	1.3
121.01671	0.2
122.05997	2.3
123.06831	0.6
124.07573	0.9
125.02354	2.0
125.04719	0.5
128.04512	0.6
128.98602	6.4
129.03970	0.4
133.03441	0.6
133.08876	0.2
134.05984	2.9
135.03015	2.1
135.03946	0.3
138.05455	0.8
143.01837	0.3
143.02110	0.3
143.03381	4.1
145.03438	0.6
146.03589	0.5
146.98557	0.4
146.99643	4.2
147.03163	0.8
147.05005	0.7
148.38136	0.3
151.90797	0.2
152.05693	11.4
152.07031	100.0
152.10583	3.9
153.01793	9.7
153.02934	2.3
153.04045	3.7
153.07396	2.5
161.06529	0.5
162.09265	0.2
163.04416	0.3
164.04631	0.4
165.00659	0.5
165.04202	0.5
174.03035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	2.4
50.55348	0.4
51.02369	5.3
53.00303	0.6
53.03951	0.5
55.01863	2.1
55.05497	1.1
56.54720	0.5
56.96557	12.5
57.03420	1.1
59.05000	0.8
59.99876	0.5
60.05780	0.4
60.08145	2.1
65.03922	1.1
67.05499	1.5
68.05006	0.9
68.96322	1.0
68.99782	0.7
69.03419	3.9
70.94242	1.0
71.04977	0.7
71.95270	2.5
74.97566	0.5
79.01845	55.6
79.05496	4.4
80.05003	1.3
80.85461	0.5
81.03412	0.5
81.07051	1.4
82.06540	0.7
83.05001	1.1
84.04472	0.6
85.02894	1.0
91.05455	1.4
93.07040	1.7
95.04954	2.4
95.06080	11.5
95.08549	0.5
96.04485	0.6
96.08154	0.6
97.02319	0.4
97.02880	10.1
97.99165	0.7
98.97569	5.0
107.01305	15.7
107.04917	2.7
107.06053	1.2
107.08570	2.0
108.04459	1.0
108.05267	1.2
108.08096	1.0
109.06519	1.1
109.08448	0.5
110.03526	2.0
110.06039	1.0
110.09692	2.8
111.04447	3.4
111.05592	0.7
111.06339	0.7
111.08080	1.3
113.00837	0.7
116.98610	5.2
119.01831	0.6
122.06839	0.6
123.00770	2.1
125.02342	19.2
125.05978	1.6
125.07015	0.6
126.05451	0.7
128.98647	0.6
130.96312	2.0
131.00154	1.4
131.01852	2.7
134.99631	4.3
135.04439	1.3
135.05444	0.9
135.06358	0.8
135.08034	1.5
135.09073	0.7
136.01436	0.9
136.03946	0.7
136.04921	0.7
136.07573	1.9
136.11234	0.7
137.02261	0.9
137.05919	0.9
138.03119	0.9
143.03378	41.7
144.03734	0.7
145.01712	0.8
148.97354	3.1
149.01204	3.1
149.02946	0.9
153.01802	100.0
153.02950	26.4
153.03993	2.6
153.04289	2.2
153.05452	3.3
153.07436	11.6
153.09050	1.1
153.10188	1.9
153.13881	1.7
154.02260	3.3
154.03406	0.9
154.04944	2.9
154.06073	1.1
154.08717	1.1
154.12251	1.1
154.13379	5.1
161.01189	2.0
161.06628	0.6
163.02853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.6
51.02372	5.6
53.00283	0.4
55.01863	0.6
62.95320	0.3
65.03927	1.7
69.03424	2.6
69.07044	0.4
70.95853	1.3
71.95251	1.6
75.04476	0.5
76.09415	0.3
79.01845	53.7
79.05485	1.4
80.02180	1.0
81.03447	0.4
82.04178	0.8
83.04965	0.5
88.96892	0.6
91.05473	1.0
93.03416	0.5
93.07037	1.2
95.01304	0.4
95.04929	0.7
97.02878	10.3
97.03488	0.7
102.54151	0.3
107.00574	0.7
107.01302	13.5
107.04923	0.4
107.08586	0.6
108.04478	0.6
110.03652	1.3
111.04409	1.5
111.05572	0.7
121.06499	0.8
123.00768	2.1
125.02336	19.8
125.05982	1.0
126.02666	0.6
126.05563	0.4
135.08087	0.5
135.09183	0.5
135.11732	0.4
136.03889	0.6
137.62741	0.3
138.03125	0.8
143.03377	42.9
144.03697	0.7
148.97343	0.5
153.01811	100.0
153.02954	24.8
153.05412	1.4
153.06589	1.1
153.09076	1.2
153.10168	0.4
154.02162	2.4
154.03279	0.7
154.04979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.6
50.85684	0.4
51.02378	4.6
53.00303	0.5
55.01855	0.7
55.05526	0.4
56.95054	0.3
63.01292	0.3
67.05492	0.4
69.03429	2.7
70.95837	0.3
71.95267	1.0
79.01849	49.3
79.05471	0.7
80.02186	1.0
81.07044	0.4
93.07027	1.0
95.04975	0.5
97.02883	7.9
97.06480	0.5
98.23497	0.9
107.00580	0.7
107.01307	13.2
107.08604	0.9
111.08072	0.3
121.02872	0.4
123.00782	2.1
125.02345	17.6
135.08118	0.4
135.11697	0.5
143.03384	41.0
144.03716	0.9
153.01826	100.0
153.02965	24.8
153.09090	0.7
154.02136	2.7
154.03255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.5
51.02374	6.3
53.00314	0.6
55.01875	1.5
55.05508	5.1
57.03421	1.1
57.07069	0.8
58.27306	0.6
59.04994	0.9
65.03938	2.7
67.05495	4.8
69.03430	3.9
69.07059	4.6
69.08664	1.0
69.09076	3.4
71.04984	3.1
73.06546	1.3
79.01849	54.3
79.05480	7.8
80.02190	0.7
81.07049	8.1
82.04184	0.6
83.04973	12.4
83.08622	1.2
91.05471	3.3
93.03378	0.8
93.07035	11.1
95.04965	5.2
95.08595	5.4
97.02885	11.4
97.06519	8.1
105.04514	0.7
105.07026	1.0
105.39651	0.5
107.01314	14.8
107.04932	0.6
107.08582	11.3
108.01656	0.6
109.06519	2.3
109.10162	5.9
110.03644	0.7
111.04440	1.3
111.08062	2.6
121.02851	22.6
121.06538	0.7
123.00803	2.3
125.02346	21.4
125.05983	1.5
125.09617	1.7
135.04411	1.2
135.08080	1.0
135.11665	5.1
138.06775	0.6
141.26247	0.4
143.03386	40.7
144.03734	1.0
147.09102	0.6
153.01823	100.0
153.02969	28.2
153.05328	3.3
153.09081	2.7
153.10185	0.9
153.12721	6.7
153.13841	0.7
154.02168	1.6
154.03313	0.9
154.39584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.6
50.61668	0.6
51.02374	6.4
52.46509	0.6
60.19187	0.6
69.03419	1.6
69.49569	1.4
69.49982	2.1
76.48786	0.7
76.99094	0.7
79.01847	42.3
79.05460	1.0
81.07016	0.7
97.02888	7.7
107.01308	12.7
107.08557	0.9
123.00792	1.9
125.02335	18.3
135.08026	0.7
143.02229	1.4
143.03380	40.6
153.01804	100.0
153.02953	24.9
153.08939	0.8
154.02147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.8
51.02377	6.9
55.01866	0.9
55.05500	0.7
58.01715	0.4
65.03923	0.5
68.28287	0.4
68.96326	0.9
69.03423	3.6
69.07093	0.5
70.94256	1.1
70.95853	0.6
71.01338	1.0
79.01849	53.6
79.05491	1.6
79.82207	0.4
80.02194	0.7
80.05040	0.5
83.04964	0.7
93.03425	0.5
93.07033	0.7
95.04959	1.5
95.06086	0.8
96.93800	0.4
97.02882	9.6
107.00581	0.8
107.01313	14.7
107.04938	0.9
107.08558	0.8
108.04503	0.5
109.99010	0.5
111.04429	1.0
111.05585	0.6
123.00789	2.6
125.02345	19.2
125.06017	0.9
130.96352	0.8
143.03386	41.2
144.03700	0.9
148.97383	1.8
153.01825	100.0
153.02971	29.3
153.06532	1.2
153.09090	0.6
153.10287	0.6
154.02141	1.9
154.03307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01394	0.3
50.01596	2.0
51.02375	5.4
53.00298	0.4
55.01861	1.5
55.05508	2.5
65.03928	2.7
65.82927	0.3
67.05501	1.1
68.99769	0.4
69.03423	2.5
69.07051	0.5
69.13346	0.6
69.13747	1.8
71.04987	0.8
78.83340	0.3
79.01845	53.1
79.05480	2.4
80.02173	0.9
81.07031	1.0
83.04964	6.8
91.05454	1.6
93.03399	1.2
93.07051	1.6
95.04957	1.2
95.08587	1.2
97.02879	8.5
97.06539	0.5
105.06989	0.5
107.01305	13.8
107.04948	1.4
107.08585	3.0
109.06489	0.7
109.10140	1.0
111.04423	1.4
111.08091	1.9
121.02853	52.7
122.03193	1.4
123.00761	1.8
125.02336	20.1
125.05978	0.7
125.09601	0.5
135.08075	1.7
135.11676	0.5
143.03381	42.5
144.03706	0.9
153.01799	100.0
153.02943	25.7
153.05290	2.4
153.09018	0.8
153.12712	0.7
154.02101	2.3
161.81857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.3
51.02377	6.8
55.01861	0.8
55.05501	0.8
65.03918	1.1
69.03409	3.2
69.07063	0.7
69.09192	3.0
76.77532	0.4
78.85095	0.5
79.01848	53.7
79.05492	1.7
81.07054	1.0
81.76290	0.4
83.04975	1.1
91.05473	1.4
93.07036	1.7
95.01347	0.4
95.08627	1.3
97.02265	0.6
97.02886	9.8
97.06522	0.8
97.48058	0.4
105.07066	0.5
107.01310	14.5
107.08588	3.1
109.06503	0.8
109.10143	1.2
111.04427	1.4
111.08082	1.6
123.00781	1.5
125.02338	18.9
125.09621	1.2
128.53413	0.4
135.08073	1.0
135.11711	1.7
143.03386	41.1
144.03809	0.7
153.01831	100.0
153.02971	26.0
153.09123	1.5
153.12735	1.6
154.02180	1.9
154.03300	0.6
170.64307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.2
51.02367	3.9
53.03931	3.6
54.04723	1.7
55.01865	2.5
55.05502	1.5
65.03932	100.0
67.02959	1.3
67.05495	15.1
68.96350	0.9
68.99803	1.0
69.03422	3.1
69.07076	1.5
70.94248	1.3
70.95854	3.1
71.05025	0.8
71.42920	1.1
71.95267	6.3
77.03921	2.8
79.01844	21.0
79.05479	3.6
80.05019	1.2
81.03402	3.8
81.07035	5.5
82.03702	1.7
82.04187	27.2
82.04659	1.8
83.04965	2.1
88.96882	1.4
91.05470	2.5
92.02618	1.9
93.03394	10.3
93.07040	2.4
94.04166	1.6
95.01315	28.8
95.04948	15.7
95.06004	0.9
95.08594	2.2
97.02865	5.0
97.06528	4.5
98.03732	0.9
105.04517	4.2
107.01308	5.2
107.04896	1.5
107.06060	1.2
107.08569	2.6
108.02088	18.6
108.02775	1.7
108.04476	1.8
110.03642	76.4
111.04434	50.9
111.05574	1.9
111.98441	1.1
121.02771	0.9
121.03973	3.1
125.02340	7.4
125.05975	54.6
126.05477	1.3
130.96317	1.1
135.05537	1.2
136.03954	2.8
137.02338	2.2
138.03108	10.8
143.03394	16.8
145.29805	0.9
148.97362	2.1
153.01825	38.2
153.02972	8.1
153.05455	14.7
153.06622	3.8
153.09067	2.6
153.10167	1.6
153.12715	1.3
154.02164	1.3
154.04958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Vanillin
Peak:m/z	Relative Intensity
50.01589	0.5
51.02369	0.9
53.00308	0.2
53.03955	0.2
55.01864	1.9
55.05507	0.7
57.03445	0.3
65.03933	5.0
67.05496	1.3
68.99798	0.2
69.03421	0.9
69.07050	0.5
71.04984	3.7
71.69158	0.1
74.58907	0.1
77.03922	0.1
79.01846	9.7
79.05485	4.4
79.05944	0.2
81.03432	0.4
81.07050	1.0
83.04973	2.0
91.05471	2.1
93.03391	2.4
93.07030	1.1
94.04195	0.2
95.04965	1.6
95.08609	0.5
97.02888	1.6
97.06496	0.5
105.04481	0.3
105.07020	0.7
107.01309	2.6
107.02008	0.2
107.04942	5.1
107.08591	2.0
109.06512	1.3
109.10166	0.7
111.04431	3.0
111.08064	0.6
115.05470	0.5
117.07011	0.4
119.06079	0.2
121.02854	100.0
121.51931	0.1
122.03182	1.9
123.00790	0.4
125.01412	0.2
125.02339	3.0
125.05962	0.2
125.09642	0.3
135.04405	0.2
135.08035	3.8
135.11688	0.4
139.03882	0.2
143.03383	6.9
144.03702	0.2
153.01799	16.5
153.02948	4.4
153.05428	4.6
153.09076	1.4
153.12726	0.6
154.02170	0.3
154.03264	0.1
154.05898	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03920	1.0
55.01868	1.4
55.05503	10.6
55.59949	1.0
57.03422	4.1
57.07053	2.6
60.04451	0.8
65.03930	1.3
67.05497	30.1
69.03433	1.4
69.07061	49.3
70.32398	1.0
70.95834	1.9
71.04975	1.3
71.95262	12.9
79.05485	22.8
81.07048	33.7
83.04970	5.0
83.06071	1.1
83.08612	5.6
85.06528	1.5
91.05479	4.8
93.07032	42.5
95.04971	2.6
95.08601	18.5
97.06526	18.3
105.04515	1.2
105.07038	1.6
107.06075	1.3
107.08587	43.9
108.04446	1.1
109.10142	33.3
109.10886	1.7
110.03639	1.6
111.05565	1.8
111.08080	5.6
111.11671	1.4
112.04791	1.4
125.05939	1.2
125.07114	1.3
126.05471	1.6
126.06313	2.2
135.11678	100.0
136.03905	1.4
136.12025	3.0
138.05077	1.3
148.97366	0.9
150.98528	0.8
153.05414	2.5
153.07576	5.8
153.12726	83.5
154.04897	1.4
154.13072	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01601	1.7
51.02377	7.8
53.03943	1.3
55.01875	1.4
55.05510	10.3
57.03434	2.3
57.07071	1.5
59.04999	4.6
65.03929	1.9
67.05506	8.2
69.03422	2.6
69.07065	5.5
70.80129	2.1
71.04987	18.2
73.06550	12.6
73.31207	1.0
79.01852	49.1
79.05486	19.3
81.07053	54.8
82.07396	1.2
83.04969	2.9
83.08614	1.5
89.11493	1.0
91.05460	9.3
91.05938	1.0
93.03419	1.3
93.07040	24.3
95.04958	17.6
95.08622	5.3
97.02883	8.6
97.06535	4.8
105.07023	1.3
107.01309	12.8
107.01989	1.3
107.04987	2.1
107.08585	33.0
109.06503	13.7
109.10159	5.9
110.03658	2.0
110.09672	1.8
111.04446	1.6
111.08066	5.5
119.08557	1.1
123.00766	1.3
125.02351	16.6
125.09634	3.6
127.08172	0.9
135.08054	2.4
135.11682	15.2
138.03122	2.9
143.03386	42.1
144.03726	1.3
151.09567	1.1
153.01836	100.0
153.02975	27.3
153.05383	6.7
153.09111	2.5
153.12723	8.2
154.02190	2.5
154.08661	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01579	1.6
51.02367	4.3
53.03933	1.3
55.01863	1.4
55.05506	6.3
55.18354	0.9
57.03427	2.9
57.07059	1.8
59.04990	2.6
65.03931	2.4
65.49051	0.8
67.05498	14.0
69.03426	4.4
69.07057	12.3
69.46275	4.0
70.94257	1.0
70.95851	1.6
71.04980	3.5
71.95268	1.2
75.04093	0.9
75.04459	5.3
79.01846	35.9
79.05478	13.1
80.02180	0.9
81.07041	14.0
81.95100	0.8
83.04972	9.6
83.08614	4.1
85.02865	1.1
91.05470	15.2
93.07031	75.0
94.07401	1.6
95.04950	4.8
95.08594	60.1
96.08922	1.0
97.02885	5.9
97.06520	14.9
105.04477	1.0
105.07030	2.6
107.01310	9.5
107.08580	100.0
108.08897	2.0
109.06510	2.2
109.10145	18.6
111.08062	3.4
113.50676	0.8
119.06101	1.1
119.40562	0.9
121.02860	4.2
121.06487	6.5
122.07310	1.0
123.00759	1.9
125.02335	11.2
125.05981	2.1
135.08009	1.8
135.11678	41.6
136.03983	0.9
138.06735	2.8
143.03381	28.9
148.97339	1.9
153.01813	68.2
153.02960	17.5
153.05420	4.0
153.06618	2.0
153.07901	1.4
153.09071	7.2
153.10150	1.1
153.12726	20.0
153.13840	1.8
154.02107	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01585	1.6
51.02367	6.5
53.03930	1.0
55.01859	2.9
55.05505	12.1
57.03427	2.8
57.07057	2.0
59.04995	2.0
65.03935	6.0
67.05157	1.4
67.05495	18.3
69.03413	5.4
69.06702	1.5
69.07058	13.0
69.61094	2.6
71.04987	3.7
73.06545	1.6
77.03899	1.1
79.01846	50.5
79.05034	1.8
79.05478	17.6
80.02187	1.7
80.87736	1.0
81.07044	15.0
83.04971	38.6
83.08598	2.8
85.06542	1.3
91.05470	9.7
93.03397	2.3
93.07036	55.1
95.04956	6.0
95.08595	33.6
97.02875	9.2
97.06516	21.0
98.23414	1.2
105.04493	1.3
105.07038	2.7
107.01311	13.3
107.04948	1.5
107.08582	73.8
108.08901	2.3
109.06506	3.2
109.10139	18.9
110.03625	1.2
111.04403	1.4
111.08062	3.4
118.95657	0.8
121.02854	70.9
121.06445	1.6
123.00795	1.4
125.02330	18.4
125.05956	1.9
125.09618	3.5
135.04378	1.1
135.08003	3.8
135.11676	23.0
138.03078	0.9
143.02254	2.0
143.03381	40.5
153.01807	100.0
153.02962	23.9
153.05431	7.0
153.06558	1.9
153.09056	4.6
153.12732	24.2
153.13857	2.2
154.02164	2.7
155.27412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0498
Annotation	2-Nitroanisole
Peak:m/z	Relative Intensity
52.02707	0.5
53.03926	0.8
54.93826	0.4
55.05499	0.7
56.96562	4.5
60.08149	0.5
64.75336	0.2
67.01863	0.4
67.05481	0.3
68.05017	0.5
68.64210	0.3
68.96320	2.4
69.03413	0.4
69.96167	3.0
70.06593	0.5
70.94258	1.7
71.94093	2.1
71.95248	1.8
72.93767	0.8
74.43410	0.3
79.01848	0.7
79.05470	0.3
80.02189	1.3
80.05002	1.6
81.07041	0.6
83.04960	1.0
84.04490	0.8
86.97343	0.8
88.95302	0.5
90.94819	0.4
91.05442	0.3
92.04993	13.6
94.06524	0.3
95.01318	1.0
95.04961	0.7
95.06075	2.1
96.04499	0.3
97.02934	0.3
98.06049	0.4
98.84828	0.2
98.97571	0.3
98.98460	0.8
107.28264	0.3
108.01645	0.5
108.04469	4.2
108.05167	0.2
108.08079	0.9
109.02868	0.4
109.06499	0.4
109.98957	0.9
110.05997	0.4
111.04401	1.0
112.99134	0.3
113.05996	0.8
113.95119	0.4
113.96387	0.4
124.07570	0.3
125.02341	0.3
126.02654	0.5
126.05505	1.0
126.09128	0.4
127.07487	0.3
128.00005	0.4
130.96274	2.3
131.00143	1.2
131.01848	0.3
131.95189	0.4
131.96144	6.3
131.97189	0.5
131.99698	0.8
136.03911	2.6
136.04865	0.3
136.07562	1.2
136.93094	0.4
137.05995	0.4
137.07057	0.5
138.54294	0.3
139.26662	0.2
140.04703	0.5
144.03688	1.4
148.97331	4.7
149.01157	1.8
149.97183	11.9
150.00708	0.5
154.02377	3.1
154.04971	100.0
154.12196	0.6
154.13362	1.0
154.90738	0.3
154.94203	0.5
154.97743	0.2
155.05396	1.6
155.06964	1.7
155.08084	0.3
167.02264	0.4
167.98244	1.0
172.95270	1.4
173.75717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71182	0.2
53.03937	0.3
55.01872	0.2
55.05505	5.6
56.05030	0.4
57.03425	0.5
57.07058	0.2
60.42049	0.2
66.71835	0.2
67.05498	2.7
69.03413	0.4
69.07057	0.4
69.47069	0.4
69.47466	0.6
70.06585	1.1
71.01320	0.2
71.04988	1.3
73.97039	0.2
79.01838	0.3
79.05499	2.2
80.02153	0.3
81.06563	0.4
81.07049	8.2
82.06570	1.3
83.04969	0.3
83.07349	0.5
83.08607	1.2
84.04467	0.3
84.08131	0.3
85.06539	0.3
91.05476	0.7
93.05773	0.4
93.07038	0.6
94.06564	0.5
95.04955	1.1
95.08588	1.3
96.04475	0.4
96.08111	0.5
96.86149	0.2
97.05259	3.0
97.97996	0.2
98.06055	3.0
98.09677	1.9
98.23438	0.4
99.04446	0.9
107.81177	0.2
108.08099	2.5
109.06513	5.7
109.10148	2.7
110.06041	4.4
111.06823	3.7
111.08016	1.2
113.06030	0.2
113.96281	0.3
124.07585	0.3
125.04744	0.4
125.08360	0.9
126.09138	3.3
137.09589	0.7
138.05453	0.4
139.06271	4.4
144.03680	0.4
152.07033	0.5
154.02177	1.5
154.08611	100.0
155.07088	0.3
155.08974	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	154.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
55.93732	0.4
60.08163	21.5
68.05025	6.1
70.62466	0.5
83.04975	0.7
95.06087	100.0
96.05859	0.5
96.06427	1.7
98.22795	0.6
98.23355	0.4
98.98426	0.7
105.58470	0.4
108.04517	0.4
110.67963	0.4
111.04412	0.4
131.01909	0.9
135.62363	0.4
137.42233	0.4
145.02539	0.4
154.04990	1.0
154.13382	57.4
155.08203	0.6
155.13744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11977	0.4
60.08158	21.8
68.05022	5.1
69.48484	1.3
69.48827	0.6
72.45493	0.4
82.01440	0.4
95.06081	100.0
96.06406	1.1
98.23461	0.7
100.02473	0.4
101.00884	0.8
108.49232	0.3
113.00835	2.0
115.00977	0.3
119.01910	1.2
131.01892	7.1
131.96161	0.5
148.97382	0.4
149.02962	1.1
154.03505	0.8
154.04971	1.5
154.13368	50.7
155.01889	0.5
155.13690	1.1
163.96751	0.4
172.04530	0.6
173.54039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03935	3.1
55.05507	34.1
56.05825	1.6
57.03436	7.5
57.07067	4.5
59.05005	6.1
62.64363	0.9
65.03933	3.1
67.05498	100.0
68.05842	2.6
69.03419	2.4
69.07055	10.8
70.07383	1.1
70.95846	2.7
71.00948	1.6
71.01352	20.7
71.01710	1.3
71.04987	83.1
72.93786	2.9
76.54796	1.1
79.05495	8.1
81.03423	1.6
81.07050	58.2
83.04984	8.8
83.08612	2.2
85.06539	3.6
88.59409	1.0
88.96931	0.9
91.05470	5.4
93.07035	11.4
94.44383	1.2
95.04356	0.9
95.04958	19.7
95.08598	73.0
96.08910	1.2
97.06519	3.8
98.98454	3.0
99.04447	56.6
99.08101	5.1
101.06013	2.5
107.08597	6.6
109.06506	6.7
109.10148	97.9
110.10461	5.5
111.08069	6.8
112.08382	1.9
113.06006	7.6
113.09579	1.4
113.96363	1.1
114.39263	1.0
119.08609	2.9
123.04404	1.1
127.07545	2.2
132.95827	3.6
137.09604	13.4
138.09947	1.2
150.96872	3.7
155.07028	4.8
155.08945	3.8
155.10655	12.5
155.12570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
51.77081	1.2
56.96551	4.0
66.06297	1.4
69.71872	5.6
74.09704	23.6
96.96885	3.7
98.22735	1.7
98.97623	2.6
98.98568	1.4
110.07145	4.5
111.02049	2.3
112.05269	5.0
120.01998	3.2
130.06288	28.5
131.01901	1.8
132.01955	8.0
133.01688	2.9
149.01147	2.3
156.04198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1019
Annotation	Arecoline
Peak:m/z	Relative Intensity
53.03926	1.5
55.01855	1.3
55.05502	20.4
55.93500	1.7
56.05011	1.7
57.03424	1.1
57.07055	0.6
57.79058	0.5
59.04980	0.8
60.04507	2.5
61.94981	0.5
67.05497	3.0
68.05011	1.3
68.05814	0.7
69.03406	1.8
69.07069	2.6
70.02303	1.7
70.02912	0.7
70.06580	3.1
70.95854	26.1
71.04982	13.9
72.04494	1.1
72.93777	18.6
79.05040	0.9
79.05482	14.7
80.04993	1.4
81.07051	0.8
82.02918	2.5
82.06558	1.2
83.04963	1.9
84.04494	0.7
85.06529	66.7
86.06056	18.2
86.06622	0.6
86.06853	1.3
87.04448	1.3
88.96884	7.1
90.94811	4.9
93.07009	1.2
94.06544	1.5
95.04939	1.4
95.08598	0.6
96.04469	1.1
96.05297	1.2
96.08113	8.8
97.05301	0.6
97.06495	4.0
98.06049	0.8
98.23337	0.7
103.46584	0.6
106.06538	34.4
106.97852	0.6
107.06855	0.5
108.95869	0.8
110.06026	1.9
110.07080	0.5
110.09650	1.1
111.04396	0.8
111.08035	1.0
111.98460	9.1
113.96382	1.0
115.07564	0.8
124.07572	100.0
125.07932	1.6
126.09142	2.2
128.10678	2.0
129.99503	5.1
130.06520	1.0
132.94795	1.4
132.95815	26.3
138.05467	1.3
138.06451	0.6
138.09097	4.8
139.07478	0.8
141.06941	1.0
142.07787	1.2
150.96864	51.5
151.96928	0.6
155.97371	3.0
156.10184	30.8
156.13795	1.2
157.07570	3.7
157.10155	1.0
168.97977	1.4
173.98456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98622	0.4
56.96559	15.7
64.43139	0.2
70.87531	0.3
71.95257	0.6
74.50652	0.2
82.17076	0.2
97.99223	0.2
98.97573	100.0
99.97881	0.5
112.55716	0.2
114.95368	0.3
116.00217	0.4
116.01949	0.2
116.98609	54.8
117.98952	0.3
123.95912	0.6
132.96423	0.6
134.02982	0.6
134.99643	18.9
136.19775	0.2
139.51027	0.2
140.00162	0.9
141.96971	1.0
150.97470	0.2
153.00691	1.8
158.01225	0.9
175.43858	0.2
176.05898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98622	0.4
56.96559	15.7
64.43139	0.2
70.87531	0.3
71.95257	0.6
74.50652	0.2
82.17076	0.2
97.99223	0.2
98.97573	100.0
99.97881	0.5
112.55716	0.2
114.95368	0.3
116.00217	0.4
116.01949	0.2
116.98609	54.8
117.98952	0.3
123.95912	0.6
132.96423	0.6
134.02982	0.6
134.99643	18.9
136.19775	0.2
139.51027	0.2
140.00162	0.9
141.96971	1.0
150.97470	0.2
153.00691	1.8
158.01225	0.9
175.43858	0.2
176.05898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98631	0.3
56.96561	13.5
57.07035	0.4
57.93536	0.5
58.06593	0.5
69.03431	0.6
70.26730	0.3
70.28088	0.8
71.95242	0.6
81.03345	0.3
85.02899	0.5
97.02900	0.4
98.97573	100.0
99.97948	0.4
102.09206	0.5
116.97235	1.4
116.98610	54.6
117.98976	0.5
131.01920	0.4
134.03033	0.4
134.95836	0.3
134.99640	17.5
140.00206	1.0
153.00708	1.6
155.00146	0.3
158.01259	0.7
158.15433	1.0
173.01231	1.0
178.38263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02186	0.5
56.96556	4.2
58.06589	3.3
60.05637	0.8
68.05019	1.7
70.04079	1.4
70.06586	90.9
70.63925	0.9
71.04980	3.2
71.06931	2.7
85.07668	3.1
95.06069	3.4
97.07645	1.1
98.06033	2.2
98.09668	1.2
98.97575	21.6
99.01924	1.9
99.04458	1.8
103.00636	2.6
112.08719	74.3
113.07122	3.8
113.09048	1.2
114.05487	0.6
115.08701	3.2
116.07082	18.9
116.07901	1.2
116.98616	13.0
119.01946	0.9
121.01658	8.3
121.02507	0.7
128.03499	0.5
130.03534	0.7
134.99635	4.6
139.02713	2.0
141.06575	4.9
144.03203	2.9
158.09235	100.0
158.15361	3.5
159.07626	2.0
159.09587	1.9
162.04239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
56.02211	1.5
56.96576	2.0
57.07080	1.8
57.93582	1.0
58.06568	0.7
60.05652	1.2
60.09280	0.7
64.00581	0.6
68.05023	1.7
69.03427	1.0
70.04085	1.9
70.06590	99.2
71.01371	0.9
71.05009	3.4
71.06928	3.2
75.94632	0.7
77.79240	0.7
84.04518	2.0
84.08138	1.6
85.07674	2.3
86.06051	1.2
88.07603	0.8
95.06097	3.1
97.07641	1.0
98.06046	3.2
98.97590	8.8
99.04424	1.8
101.00800	0.7
102.09175	3.2
103.00631	0.9
112.07622	6.8
112.08727	75.1
113.07138	5.2
114.05546	2.3
115.08678	2.6
116.07098	21.5
116.97250	5.8
116.98603	7.9
119.01934	1.1
121.01653	3.4
124.53922	0.7
134.03001	1.1
134.99689	5.7
140.07031	1.1
141.06596	4.8
144.03278	1.3
144.61691	0.8
152.96925	1.8
158.09250	100.0
158.15358	4.9
159.07671	2.1
159.09518	1.1
161.84476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98638	1.0
56.96559	40.0
57.07069	1.5
57.93559	1.3
58.95408	1.3
59.93101	3.0
70.06567	0.5
70.71706	0.9
70.72025	0.6
71.95239	1.5
72.04522	0.6
73.24307	0.6
75.94624	0.6
76.92843	0.6
76.93348	1.1
77.94135	1.1
83.81391	0.5
95.95197	0.7
98.97573	92.9
99.97910	5.1
100.02474	1.0
100.97208	0.8
101.00864	4.9
102.09158	2.6
116.06966	0.5
116.98608	100.0
117.97535	1.9
117.98974	6.7
118.03488	3.3
118.96754	10.5
118.98136	0.7
118.99020	0.8
119.01910	31.1
124.02417	0.7
131.04878	1.1
131.11737	0.9
134.99641	86.4
136.00023	6.1
136.02722	0.8
136.04520	2.8
137.02930	12.0
140.00179	1.2
140.54881	0.6
141.01799	0.9
142.03485	22.2
153.00691	15.6
153.96938	1.0
154.01103	2.3
154.96416	3.5
158.01248	2.5
158.15410	3.9
159.06766	0.9
159.09120	1.5
159.11664	0.7
159.15709	0.9
160.03239	1.0
160.04541	17.7
172.97560	0.9
177.00711	0.6
178.05557	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	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54198	0.5
56.96567	7.6
57.03141	1.4
57.03434	45.9
57.07071	100.0
58.07412	1.3
59.93129	1.4
61.02924	5.1
67.05516	1.1
69.07079	0.7
70.06586	1.6
71.06913	0.9
71.35730	0.6
72.04525	1.1
76.93358	0.9
83.66074	0.6
84.04491	0.8
85.02926	0.7
85.06537	42.7
87.04464	1.3
91.05479	3.2
95.04987	0.8
95.08626	1.2
98.23082	0.9
98.97577	16.9
99.04505	0.8
99.97935	2.7
103.05459	7.5
103.07572	24.4
103.09484	0.6
105.04465	0.7
105.07053	0.7
111.66824	0.6
114.05492	0.9
114.09127	0.7
115.05476	1.2
116.06256	0.8
116.97357	0.9
116.98612	18.8
116.99400	1.1
117.01879	0.9
117.05757	1.1
117.07003	1.5
117.98920	3.0
118.06570	1.3
118.96764	5.6
119.01899	0.8
129.07057	1.7
131.04904	7.5
131.08566	4.4
131.11809	1.4
132.04465	2.0
132.08034	3.0
134.99648	16.6
135.99997	1.9
142.03490	0.7
142.06528	1.5
144.09354	1.9
153.00754	2.4
154.96475	2.0
158.01239	0.7
159.04466	2.8
159.06898	0.7
159.08034	2.1
159.09209	1.2
159.10190	20.7
159.11697	4.3
159.15733	0.7
160.05096	0.9
160.07568	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	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54198	0.5
56.96567	7.6
57.03141	1.4
57.03434	45.9
57.07071	100.0
58.07412	1.3
59.93129	1.4
61.02924	5.1
67.05516	1.1
69.07079	0.7
70.06586	1.6
71.06913	0.9
71.35730	0.6
72.04525	1.1
76.93358	0.9
83.66074	0.6
84.04491	0.8
85.02926	0.7
85.06537	42.7
87.04464	1.3
91.05479	3.2
95.04987	0.8
95.08626	1.2
98.23082	0.9
98.97577	16.9
99.04505	0.8
99.97935	2.7
103.05459	7.5
103.07572	24.4
103.09484	0.6
105.04465	0.7
105.07053	0.7
111.66824	0.6
114.05492	0.9
114.09127	0.7
115.05476	1.2
116.06256	0.8
116.97357	0.9
116.98612	18.8
116.99400	1.1
117.01879	0.9
117.05757	1.1
117.07003	1.5
117.98920	3.0
118.06570	1.3
118.96764	5.6
119.01899	0.8
129.07057	1.7
131.04904	7.5
131.08566	4.4
131.11809	1.4
132.04465	2.0
132.08034	3.0
134.99648	16.6
135.99997	1.9
142.03490	0.7
142.06528	1.5
144.09354	1.9
153.00754	2.4
154.96475	2.0
158.01239	0.7
159.04466	2.8
159.06898	0.7
159.08034	2.1
159.09209	1.2
159.10190	20.7
159.11697	4.3
159.15733	0.7
160.05096	0.9
160.07568	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.09155	0.3
53.03944	0.4
55.05502	0.5
64.75327	0.3
65.03918	0.6
67.05499	3.3
69.43637	0.9
69.44025	0.7
71.44175	0.4
79.05487	1.3
81.07044	1.2
87.69076	0.3
91.05471	16.4
92.05820	0.4
93.07029	0.8
95.04958	0.6
98.97578	0.7
103.05444	1.1
105.07022	20.3
115.05441	5.5
116.06239	2.5
117.07005	36.4
117.29288	0.4
118.07339	0.8
118.96797	0.4
119.07741	0.6
119.08562	10.4
128.06218	1.9
129.06990	19.1
130.07782	19.9
131.08553	85.0
132.08891	2.5
142.07732	1.6
143.08568	1.7
144.09325	21.3
145.09662	0.6
157.10103	3.7
159.11673	100.0
160.12013	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05513	0.8
56.96565	2.3
58.75790	0.8
59.93098	1.7
62.20904	0.8
65.03941	0.8
67.05497	7.0
68.76658	0.8
69.76877	2.8
70.06585	0.9
71.46060	0.9
76.92855	2.0
76.93343	1.5
79.05493	11.3
81.07059	7.7
84.91738	0.9
91.04941	1.5
91.05476	23.5
93.07026	4.1
95.04985	1.3
98.97577	7.0
99.97920	2.2
103.05433	1.0
105.07022	23.2
114.05519	1.1
115.05434	4.4
116.06223	2.9
116.98621	7.9
117.07011	63.6
117.98952	2.5
118.07799	1.6
118.96736	6.6
119.08569	2.8
121.96920	0.8
129.06966	6.4
130.07784	5.9
131.04912	1.5
131.08557	78.0
131.11809	1.4
132.08891	3.7
134.99626	5.5
135.99997	2.0
142.07745	1.5
144.09328	6.9
154.01094	0.9
154.96483	2.9
157.10074	4.8
159.05544	0.9
159.11679	100.0
159.15672	2.0
160.09651	1.0
160.12027	2.9
166.20248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
55.01870	0.4
56.05012	0.5
56.54477	0.4
57.03428	0.8
59.93092	1.4
61.87354	0.4
68.99753	0.4
71.09668	0.4
74.72240	0.3
77.94131	0.5
78.04702	0.7
79.05506	0.8
84.04492	0.9
90.04700	1.0
91.05463	1.3
95.04935	0.5
101.00837	0.4
101.33157	0.5
103.05435	2.3
104.06237	5.7
105.03365	1.4
105.07020	4.2
114.04655	2.4
114.05431	0.8
115.05444	1.7
118.04173	2.4
118.06569	0.5
118.96755	3.9
118.98106	0.4
119.01894	1.0
119.08574	0.7
131.04910	31.5
132.05705	23.2
132.06541	0.7
133.06528	1.0
133.10097	0.9
142.04204	0.6
146.03618	1.2
154.96445	1.3
160.05176	100.0
160.12029	1.1
161.05957	9.9
161.07231	0.6
161.09578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.3
57.64561	0.1
58.99861	0.2
60.00620	0.1
60.95847	0.1
64.17268	0.1
64.40332	0.1
69.98726	0.3
79.17918	0.1
82.99825	1.6
83.99875	0.2
96.36317	0.1
98.97554	0.6
100.97169	0.3
101.00867	25.0
101.95005	0.4
101.97176	0.2
102.00926	1.5
102.96851	0.6
103.00597	0.4
103.01246	0.2
105.07005	0.2
111.21043	0.1
113.24010	0.1
116.98591	0.6
118.03518	0.2
119.01905	100.0
120.01982	6.4
120.03152	0.1
120.97896	0.5
121.01630	0.6
121.02345	0.4
125.02544	0.3
134.99660	0.2
137.02939	31.5
138.03009	1.6
139.03381	0.2
142.03491	1.1
143.03630	2.7
144.03220	0.7
160.04605	0.2
161.02933	3.3
161.04617	2.0
161.07045	0.2
162.04282	0.4
179.03995	4.8
179.05644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43604	0.1
56.14969	0.1
56.49312	0.1
57.08878	0.2
60.00618	0.1
69.85035	0.5
82.99834	2.1
90.63119	0.2
92.51929	0.1
95.95165	0.2
98.23280	0.3
98.97567	0.2
100.02448	0.8
101.00873	29.9
102.00940	2.2
103.00614	0.2
104.86135	0.1
112.42827	0.2
118.03502	0.4
119.01910	100.0
120.01988	5.6
121.01649	0.6
121.02394	0.4
124.02489	0.2
125.02576	0.2
136.48352	0.2
137.02946	25.1
137.49930	0.2
138.03029	1.6
142.03496	1.1
143.01917	0.3
143.03624	2.5
144.03235	0.4
145.48889	0.5
161.02962	3.3
161.04779	1.3
162.04303	0.3
173.25607	0.1
179.04004	4.4
179.05499	0.3
180.05479	0.2
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
55.01861	0.3
55.05493	0.2
56.05033	0.3
56.96564	2.0
57.03425	0.4
57.04550	0.5
59.04996	0.2
60.08155	0.2
60.95843	0.3
67.05495	0.2
69.03416	0.6
70.06589	2.3
72.08142	0.5
73.02908	0.4
74.07190	0.3
74.97615	0.2
81.03412	0.2
82.99822	1.7
84.04500	3.3
84.08139	1.0
85.02896	0.5
85.06535	0.3
86.06068	0.6
86.09698	0.2
87.04451	1.0
97.02870	0.6
98.03143	0.2
98.97586	1.7
100.97169	0.4
101.00874	23.8
101.95046	0.3
102.00945	1.6
102.96871	0.5
103.00628	0.4
103.03922	0.2
104.07118	0.3
105.06984	0.2
112.08762	0.3
115.02426	0.2
116.07109	0.2
116.10751	0.2
116.98629	0.9
118.72565	0.1
119.01913	100.0
120.01984	5.6
120.97894	0.5
121.01648	0.6
121.02378	0.5
123.03870	0.1
125.07027	0.2
129.02176	0.3
130.09755	0.2
133.01680	0.3
134.99666	0.6
137.02950	33.7
138.03017	1.6
138.98886	0.2
139.61414	0.2
142.03471	1.1
143.01826	0.4
143.03622	2.4
144.03262	0.4
144.06523	1.1
147.03261	0.4
160.04541	0.4
160.10844	0.7
161.02953	3.9
161.04640	1.9
161.07028	0.2
161.09521	0.2
162.03088	0.3
162.04269	0.4
175.04527	0.2
176.04425	0.2
177.04379	0.5
179.02400	0.3
179.03993	4.8
179.05563	0.4
180.04176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02361	0.5
53.03930	1.1
55.01660	0.4
55.01863	4.9
59.19947	0.4
60.04492	0.5
65.03937	0.4
66.04710	0.7
71.42944	0.5
72.04514	0.4
75.83050	0.5
77.03919	1.6
79.05480	19.5
89.03908	0.9
90.04680	4.9
91.05460	2.7
95.04952	6.3
97.02881	0.6
98.22984	0.6
101.95013	0.5
102.04702	0.8
103.05453	23.6
105.04512	1.7
105.07014	100.0
106.07351	2.1
107.04945	0.6
115.05438	29.7
116.05785	0.6
118.04139	17.9
119.08521	0.6
131.04910	3.9
132.05669	1.7
133.06471	48.0
134.06818	1.0
143.04970	0.5
143.06027	7.5
146.03656	0.9
161.05956	9.4
161.07129	2.6
161.09534	0.4
161.10741	0.6
161.13187	0.6
180.04530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03946	1.0
55.01869	5.6
56.89566	0.8
70.03242	0.8
71.43138	0.9
71.43504	0.7
77.03894	1.2
79.05483	21.1
81.87357	0.9
84.04450	0.8
91.05476	5.6
95.04979	7.6
98.06029	0.9
103.05452	22.8
105.04491	2.9
105.07018	100.0
106.07371	1.9
115.05445	28.8
116.05766	0.9
118.04135	5.0
119.04873	0.9
119.08583	1.5
131.04926	2.3
131.08632	0.8
132.05708	1.4
133.06477	37.5
133.10057	1.4
134.06895	0.9
143.06024	11.0
144.06599	0.9
146.03595	6.2
161.05951	10.0
161.07112	5.8
161.09583	1.8
161.10754	1.5
161.13219	2.7
162.03163	1.1
162.05443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01868	1.1
62.98977	0.5
70.90216	0.4
71.41566	0.5
74.06090	0.6
79.05487	3.3
79.57612	0.4
79.63670	0.4
84.04507	0.7
88.03969	0.6
91.05485	2.3
95.04978	0.7
101.24103	0.5
103.05459	1.8
105.07020	29.2
106.07341	0.6
107.04916	0.9
115.05443	15.5
118.04152	0.8
119.01883	2.7
119.04951	1.1
119.08585	1.6
128.06203	0.6
131.04941	0.5
133.06480	70.3
133.10146	1.7
134.06834	1.6
137.02953	1.1
143.04944	3.2
143.05971	0.8
144.06575	0.5
146.03630	0.6
160.04990	0.5
161.05960	100.0
161.09531	3.1
161.13237	1.4
162.04185	0.6
162.06441	2.5
171.05524	28.9
172.05693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02370	0.4
51.05409	0.3
52.60703	0.3
53.03933	1.4
55.01865	4.7
63.02373	0.3
64.60871	0.3
65.40195	0.3
66.04688	0.4
69.35106	0.4
69.35384	1.9
75.74168	0.3
77.03913	1.6
79.05482	20.6
82.60056	0.4
89.03899	1.0
90.04679	5.6
91.05459	3.5
92.02611	1.0
93.07056	0.5
95.04951	7.0
97.02867	0.4
102.04675	0.9
103.05456	25.1
104.05771	0.5
105.04553	2.7
105.07017	100.0
106.07333	2.3
107.04939	0.8
115.05441	29.5
116.05751	0.4
117.06999	0.8
118.04149	24.7
118.06518	0.7
119.01900	1.0
119.04454	0.4
119.08549	1.4
128.06171	0.6
131.04903	6.5
132.05687	1.1
133.06474	51.6
133.10110	1.7
134.06798	1.2
137.02980	0.4
143.04982	0.8
143.06033	6.5
143.07060	0.7
143.08556	1.1
144.04468	0.4
144.06593	0.4
146.03604	13.9
146.07228	0.5
147.03970	0.6
161.05956	22.5
161.07100	2.0
161.09576	4.0
161.10733	1.0
161.13194	0.8
162.06438	0.5
162.07690	0.6
166.04822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03938	1.3
55.01866	5.7
65.03947	0.4
66.04709	0.8
69.16138	1.8
76.15120	0.3
77.03920	1.4
79.05484	20.9
80.05807	0.4
89.03904	1.9
90.04688	5.9
90.19044	0.3
91.05478	2.9
92.02620	0.8
95.04951	7.3
101.95027	0.5
102.04675	0.5
102.96871	0.4
103.05455	26.5
104.05779	0.9
105.04566	2.3
105.07015	100.0
106.07353	2.8
107.04942	1.2
115.05441	29.0
116.05737	0.7
118.04143	21.9
119.08646	0.4
131.04909	4.7
132.05656	1.2
133.06473	48.8
134.06819	1.1
143.04970	0.3
143.06018	6.3
144.06512	0.5
146.03633	0.5
149.05899	0.4
161.05951	8.0
161.07115	1.4
161.09567	0.6
162.05370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03934	0.5
55.01859	1.3
69.03419	0.4
69.97009	0.7
76.51569	0.3
77.03928	0.8
77.13203	0.4
79.05489	5.5
82.51275	0.4
89.03933	0.7
89.08404	0.3
90.04679	2.0
91.05470	4.7
93.07032	0.7
95.04966	2.2
102.04713	0.5
103.05463	5.1
104.06273	0.9
105.04510	0.7
105.07021	20.7
107.04930	1.1
115.05444	4.0
116.06213	0.5
117.06995	0.8
118.04150	21.4
119.04404	0.4
119.08571	1.5
121.06508	1.8
128.06209	6.5
129.07025	0.8
130.07762	0.4
131.04916	9.0
131.08560	1.6
132.05666	1.1
133.06483	5.3
133.10106	3.4
143.06038	0.9
143.08553	8.1
145.06503	2.7
146.03619	9.0
146.04759	0.3
146.07260	4.7
147.04381	0.4
155.05981	0.9
159.08058	2.0
161.05966	100.0
161.09596	41.4
162.06334	2.9
162.09915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
51.02368	0.5
53.03939	1.3
54.00511	0.4
55.01874	4.4
66.04713	0.5
69.52874	0.4
69.77528	1.4
72.93664	0.3
77.03908	2.4
79.05487	21.1
80.05814	0.4
85.71030	0.4
88.61857	0.4
89.03903	1.4
90.04703	5.9
91.05472	3.4
92.02603	0.9
95.04395	0.7
95.04959	5.8
98.23362	0.8
101.03674	0.3
102.04705	0.7
103.05460	27.9
105.04571	3.1
105.07021	100.0
106.07372	2.0
107.04929	1.2
115.05449	29.5
116.05784	1.1
117.07096	0.3
118.04153	19.3
119.01963	0.6
119.08562	1.3
131.04919	4.9
132.05685	1.1
133.06479	47.4
133.10127	1.7
134.06839	1.5
143.04982	0.8
143.06032	5.9
143.08546	0.4
149.06021	0.4
161.05959	11.3
161.07059	0.8
161.09558	2.0
161.10757	0.5
161.13188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01597	0.4
51.02373	0.6
53.03934	1.0
55.01871	4.7
57.03410	0.4
60.04511	0.6
61.30842	0.4
64.56596	0.4
65.03946	0.5
65.17445	0.4
66.04704	0.7
69.03414	0.7
69.59132	0.9
69.59545	1.3
71.26694	0.4
72.04470	0.3
72.57593	0.3
74.06062	1.0
77.03925	1.9
79.05489	20.7
80.05808	0.4
80.58121	0.3
81.07045	0.5
85.02876	0.6
89.03913	1.0
90.04693	5.8
91.05473	3.8
92.02616	1.0
95.04411	0.7
95.04963	6.3
95.37986	0.4
97.02908	0.8
98.06064	0.4
102.04671	1.1
103.04018	0.7
103.05463	26.2
104.05762	0.4
105.04552	2.6
105.07023	100.0
106.07343	2.6
107.04933	1.4
115.05450	31.4
116.05791	1.1
116.07087	0.7
118.04150	22.7
119.08580	2.4
120.06575	0.7
128.06230	0.8
129.03275	0.3
131.04919	5.5
131.08545	0.4
132.05710	1.1
133.06480	48.2
133.10141	2.5
134.06793	1.1
143.04961	0.8
143.06021	6.7
143.08559	0.6
144.38742	0.4
146.03610	1.3
146.07343	0.5
161.05971	13.8
161.07137	1.6
161.09598	3.0
161.13249	1.4
162.05405	0.6
162.07651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02368	0.8
53.03933	1.4
55.01867	4.4
58.59216	0.5
63.57900	0.5
66.04716	1.1
69.94253	0.8
69.94600	0.9
72.04484	0.5
77.03920	1.7
79.05489	21.1
89.03912	1.8
90.04688	6.2
91.05484	3.4
92.02625	0.8
95.04957	5.9
97.02918	0.7
98.06017	0.5
98.23075	1.5
101.95010	0.8
102.04716	1.1
103.05460	26.7
105.04561	2.7
105.07019	100.0
106.07355	2.1
107.04942	1.3
115.05444	27.6
117.06992	0.4
118.04150	20.5
119.01904	2.5
119.08559	1.1
120.97945	0.6
128.06238	0.6
131.04901	5.6
131.08540	0.5
132.05681	1.1
133.06477	49.1
133.10120	1.5
134.06841	1.5
137.02905	0.6
138.98941	0.4
139.45107	0.5
143.04939	0.7
143.06024	4.9
143.08527	0.7
146.03622	0.9
146.07236	0.6
157.03233	0.4
161.05963	13.8
161.07133	3.4
161.09587	3.1
161.13229	1.1
162.05479	1.4
162.09169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01867	4.0
66.04711	0.7
69.33643	0.4
69.33971	2.3
77.03912	2.3
79.05486	19.2
89.03918	1.2
90.04697	4.4
91.05480	3.4
92.02598	0.7
95.04961	5.3
102.04723	0.9
103.05460	25.8
105.04506	1.9
105.07021	100.0
106.07364	2.1
107.04954	1.0
111.37670	0.5
113.47845	0.5
115.05446	27.8
115.83039	0.4
116.05725	0.9
117.07030	0.8
118.04150	20.0
119.08572	1.4
131.04912	4.7
132.05679	1.3
133.06479	50.7
133.10129	1.3
134.06850	1.2
143.04898	1.0
143.06015	7.3
146.03606	0.9
147.09334	0.4
161.05962	12.4
161.09630	1.7
161.13266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.03944	0.3
55.01862	1.3
55.05509	2.1
59.04977	0.6
59.46644	0.3
65.01900	0.3
67.05495	0.4
67.32303	0.3
69.03411	2.1
70.81000	0.5
77.03918	0.6
79.05492	5.0
81.07037	0.4
81.37980	0.3
83.08617	4.6
89.03939	0.4
90.04696	1.2
91.05466	7.0
93.07036	1.4
95.04962	1.9
97.02855	0.4
97.10160	1.3
103.05458	3.8
104.06258	0.3
105.04554	0.5
105.07024	27.2
106.07314	0.4
107.04947	1.3
115.05450	4.0
116.06245	0.4
117.06984	2.0
118.04150	12.3
119.01896	0.4
119.05007	0.5
119.08571	3.9
121.06488	3.7
128.06213	16.3
131.04913	7.2
131.08537	2.0
132.05666	1.1
133.06485	4.9
133.10123	9.2
141.06985	0.9
143.08548	19.3
144.08896	0.8
145.06480	5.7
146.03612	5.4
146.07259	7.6
155.06033	1.5
159.08040	4.9
161.05972	59.5
161.09601	100.0
162.06297	1.1
162.09944	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03928	0.8
55.01868	1.1
55.05509	6.9
67.05505	0.5
69.07054	2.2
70.43384	0.8
77.03912	0.4
79.05479	5.2
80.34611	0.4
81.07053	1.5
81.59763	0.4
83.52872	0.3
90.04691	1.2
91.05474	10.1
93.07037	2.0
95.04966	1.3
103.05468	4.6
104.06257	0.8
105.04527	0.5
105.07019	32.4
106.07360	0.6
107.08605	1.6
115.05450	5.9
117.07006	3.7
118.04140	4.8
119.08568	100.0
120.08895	3.0
121.06494	0.4
121.10132	3.8
126.57796	0.3
128.06221	1.0
129.06999	0.4
130.07822	0.4
131.04922	1.9
131.08556	3.5
132.09338	0.6
133.06485	8.5
133.10114	20.1
134.06825	0.4
134.10498	0.5
143.06012	0.9
143.08531	0.6
145.10126	0.6
146.03622	0.8
146.07222	0.3
146.10901	1.5
149.58342	0.4
159.11725	0.7
160.29938	0.3
161.05962	9.3
161.09601	4.1
161.13246	22.2
162.13670	0.6
172.48918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1125
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
55.05257	1.0
55.05507	16.6
56.05031	5.8
57.03431	3.5
58.06594	4.8
59.07383	1.1
60.08161	38.7
61.02913	1.3
64.46851	0.6
65.00247	0.7
69.03423	3.3
70.06588	59.9
70.98683	0.6
71.04977	3.1
71.06911	1.0
72.04500	2.9
72.08156	0.7
73.06157	0.7
73.06553	11.9
74.02434	3.5
74.06062	0.8
76.07644	1.9
81.07016	1.5
83.08602	2.5
84.04498	23.9
84.07664	1.0
84.08137	11.4
85.02897	24.1
85.06546	4.8
87.04464	12.0
90.05552	8.2
96.37612	0.6
97.02881	1.4
97.86962	0.6
98.06045	3.1
98.09676	2.4
98.23183	0.6
99.05563	2.8
99.08117	0.7
100.03965	0.9
102.01006	0.8
102.05536	1.7
102.09175	41.6
103.03935	54.0
112.08725	5.3
116.07085	7.4
118.05014	1.7
119.01910	1.5
120.01981	3.8
121.01662	2.2
126.09144	10.8
130.04970	2.8
130.09715	2.1
144.06592	0.8
144.10158	2.3
144.11284	1.5
146.04459	1.9
156.97455	0.6
157.03462	1.2
162.03189	0.8
162.11243	100.0
163.11571	1.8
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	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03940	1.2
55.01863	1.0
55.05502	0.7
63.02373	1.7
65.03915	0.5
66.55968	0.4
67.05489	0.6
67.83000	0.4
69.03416	2.4
69.07056	0.9
70.82042	0.6
71.04989	0.5
77.03911	2.8
79.05482	13.0
79.05947	0.6
80.05009	0.4
80.05769	0.4
81.07040	0.7
85.02881	0.8
89.03905	69.3
90.04267	1.8
91.05468	4.0
93.07030	3.9
95.04952	7.0
95.08604	1.0
103.05453	35.7
104.05788	0.6
105.03370	1.8
105.04514	2.4
105.07005	2.9
106.06559	1.0
107.04944	15.6
107.08572	5.4
109.06526	0.5
115.05434	1.3
117.03362	58.4
117.07007	3.2
118.03703	1.7
118.06568	0.5
119.04945	0.5
119.06084	0.4
119.06863	0.6
119.08575	1.2
121.06482	3.7
121.10117	3.4
123.08098	0.4
130.06506	1.9
130.07784	0.9
130.77979	0.4
131.04910	40.8
132.05249	0.9
132.08113	2.2
132.08945	0.4
133.02827	1.1
133.06470	0.5
133.10080	0.5
135.04396	100.0
135.07925	2.1
135.11653	1.8
136.04723	2.8
136.07571	0.7
145.02832	38.6
145.03799	1.4
145.06477	2.9
145.10112	3.1
146.03186	0.7
163.03880	77.1
163.07504	12.4
163.11151	7.9
163.12306	1.7
163.14804	1.5
164.04227	2.6
164.11447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03948	1.3
55.01867	2.3
65.03929	1.8
65.21497	0.7
67.05496	2.4
68.99780	3.9
69.03409	3.2
69.07067	0.7
69.75936	2.1
70.66676	0.7
77.03926	1.8
79.05485	15.2
81.03413	0.8
81.07045	1.5
84.08126	1.6
85.02909	1.2
89.03939	0.9
91.05472	26.7
92.05772	0.7
92.06288	0.9
93.03426	0.8
93.07037	6.0
95.04958	7.0
95.08598	2.3
102.04681	0.7
103.05460	89.9
104.05795	2.3
105.03391	6.1
105.04518	1.7
105.07014	10.6
106.06538	3.3
107.04935	6.1
107.08582	31.0
109.06496	4.9
115.05433	5.5
117.05758	2.6
117.07010	11.0
119.04918	0.9
119.06047	3.2
119.08569	4.9
120.05748	3.5
120.08102	1.6
121.06496	8.3
121.10120	2.0
122.09667	2.1
130.06520	8.3
131.04913	100.0
132.05266	2.3
132.08078	10.2
133.02843	3.2
134.35634	0.7
135.04442	4.1
135.08038	47.0
136.08424	1.2
145.06436	3.9
145.10139	1.4
148.05135	3.7
163.03889	12.8
163.07524	56.1
163.11148	3.9
163.12311	6.8
163.14735	0.8
164.06841	1.0
164.08051	1.0
164.10709	1.3
171.44237	0.8
182.77448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02369	0.3
53.03936	0.3
55.05515	0.3
62.01602	0.2
69.07070	0.5
69.29584	1.1
69.29984	0.5
77.03913	0.7
79.05492	0.6
81.07043	0.4
89.03899	0.5
90.03854	0.2
91.05479	0.7
93.07022	0.8
95.04945	1.3
95.08624	0.3
95.13000	0.3
98.22681	0.4
102.04647	0.4
103.05452	80.4
104.05778	2.2
105.04465	0.5
105.07046	0.4
107.04922	1.2
107.08573	1.8
117.03361	0.6
121.10166	1.3
124.04573	0.2
131.04906	100.0
132.05231	2.3
135.04387	0.8
135.08031	0.7
135.11632	0.4
145.02859	0.5
145.10085	0.3
148.05174	0.3
163.03889	0.8
163.07515	40.1
163.11105	1.6
163.14833	0.6
164.07857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02374	0.4
57.21399	0.3
59.09383	0.3
64.55847	0.3
69.69705	1.3
69.70052	0.3
77.03915	1.0
79.05494	0.6
94.27262	0.3
95.04956	0.9
96.94524	0.3
97.48524	0.3
102.04665	0.4
103.05460	83.4
104.05784	1.6
107.04943	1.4
107.08624	0.3
114.46183	0.3
122.29289	0.3
131.04916	100.0
132.05211	2.8
135.08006	0.6
163.07529	45.1
164.07881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02370	0.4
53.03951	0.5
55.70152	0.4
66.31165	0.3
70.45731	0.8
77.03928	0.8
79.05494	2.0
80.04989	0.5
81.07040	0.5
84.08179	0.4
91.05470	2.0
93.07043	1.8
95.04971	2.4
95.08585	0.6
103.05461	86.2
104.05786	2.1
105.03378	2.1
105.04509	1.0
105.07040	1.2
106.06526	0.9
107.04943	2.8
107.07336	1.2
107.08570	2.9
115.05452	0.8
117.05747	0.9
117.07022	1.0
120.05724	0.6
120.08063	0.5
121.06400	0.4
121.10165	1.0
122.09668	4.1
130.06535	2.2
130.67621	0.4
131.04916	100.0
132.05243	2.4
132.08075	2.7
133.02846	1.4
135.04401	1.6
135.08069	1.7
135.11679	0.7
145.10121	0.6
148.05151	1.3
163.03902	5.6
163.07526	46.4
163.11064	2.0
163.12283	2.0
163.14766	0.6
164.07971	1.2
164.10696	1.3
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	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01596	0.2
51.02373	0.6
53.03944	0.2
55.01879	0.4
63.11287	0.2
65.03923	0.2
69.03423	0.3
71.42143	0.3
77.03925	0.9
79.05479	2.0
81.03391	0.3
81.07052	0.3
84.08121	0.3
85.02930	0.3
89.03915	0.6
90.25618	0.2
91.05463	1.8
93.03421	0.3
93.07053	1.1
95.04961	2.6
95.08634	0.4
102.04700	0.3
103.05460	81.2
104.05786	1.7
105.03407	1.8
105.04507	0.9
105.07034	1.4
106.06559	0.5
107.04949	4.2
107.08580	1.4
108.04585	0.2
115.05473	0.7
116.93027	0.2
117.03350	0.5
117.05744	0.4
117.06994	1.1
119.08540	0.3
120.05743	0.4
120.08106	0.4
121.06505	0.5
121.10137	0.8
130.06512	1.9
131.04918	100.0
132.05211	2.6
132.08047	1.5
133.02847	1.0
135.04407	2.6
135.05388	0.5
135.08034	1.7
135.11655	0.4
145.06483	0.4
145.07570	0.3
145.10092	0.7
148.05183	0.3
154.91394	0.2
163.03893	4.6
163.07529	42.6
163.11101	1.4
163.12192	1.3
164.07991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01592	0.3
51.02375	0.5
52.26568	0.3
53.03945	0.6
55.01864	0.9
55.05501	0.8
57.93007	0.3
67.05502	1.0
69.03414	1.3
69.07062	2.0
69.46665	1.8
77.03911	0.8
79.05492	4.7
81.07052	1.9
83.04956	0.4
89.03913	1.4
91.05462	3.3
93.07035	5.7
95.04959	3.7
95.08589	0.8
98.07049	0.3
103.05457	82.2
104.05789	1.4
105.03388	1.0
105.04507	0.7
105.07022	3.6
106.06510	0.5
107.04269	0.4
107.04953	5.8
107.08588	6.2
109.06535	0.4
115.05424	0.7
117.03385	0.9
117.05733	0.5
117.07005	3.2
119.08545	1.6
121.06472	2.0
121.10140	2.7
130.06491	0.8
130.07747	1.3
131.04912	100.0
132.05254	1.6
132.08060	1.2
133.02817	0.6
133.06470	1.3
135.04408	2.6
135.08006	2.9
135.11673	1.8
145.02773	0.4
145.06448	0.4
145.10118	5.8
147.08040	1.4
148.08810	5.6
163.03905	3.5
163.07526	43.7
163.11162	50.0
163.14815	1.3
164.07874	1.3
164.11510	1.6
165.43871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03936	1.0
55.01867	1.3
55.05505	1.4
67.05498	1.4
69.03423	1.7
69.07070	2.0
69.18760	0.9
69.19165	1.5
73.23406	0.3
76.33843	0.4
77.03918	1.2
79.05483	9.0
81.07051	2.9
83.04982	0.6
87.29560	0.4
89.03917	1.0
91.05470	5.7
93.07030	6.9
95.04956	3.9
95.08607	1.3
103.05456	65.8
104.05794	1.7
105.03383	0.6
105.04498	0.9
105.07019	5.4
107.04947	9.7
107.08580	8.5
109.06499	0.7
112.10111	0.4
115.05420	0.8
117.03374	0.8
117.07011	6.0
119.08566	2.8
120.05686	0.4
121.06495	3.1
121.10139	3.2
129.06961	0.4
130.06523	0.7
130.07776	2.0
131.04912	76.8
132.05211	2.2
132.08099	1.0
133.06447	2.5
135.04404	1.8
135.08026	2.9
135.11687	2.6
137.22710	0.4
143.08540	0.5
145.10106	12.4
145.11221	0.7
146.10426	0.4
147.07997	2.7
148.08806	12.5
163.03915	3.0
163.07526	31.4
163.11159	100.0
163.38864	0.4
164.07898	1.2
164.11479	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
53.03926	0.4
55.01856	0.5
55.05500	0.5
57.07093	0.2
59.55132	0.2
65.03914	0.2
67.05493	0.8
69.03417	0.9
69.07056	1.3
70.63321	0.4
77.03921	0.6
79.05041	0.3
79.05486	3.9
81.07043	2.0
83.04942	0.2
84.08153	0.2
89.03907	0.7
91.05466	2.8
93.07039	4.4
95.04952	1.6
95.08588	0.8
103.05460	6.1
104.05712	0.3
105.03371	0.5
105.04500	0.6
105.07011	2.4
107.04944	4.0
107.07375	0.3
107.08579	5.0
115.05446	0.5
117.03374	0.7
117.07005	2.9
119.08569	1.4
121.06486	2.0
121.10139	1.9
122.09675	1.1
130.06519	0.6
130.07784	1.1
131.04916	8.3
132.05226	0.3
132.08086	0.6
133.02838	0.5
133.06473	2.9
135.04410	1.5
135.08043	3.0
135.11661	1.6
143.08557	0.6
145.02829	0.4
145.06465	0.2
145.10104	5.8
145.11226	0.4
146.10497	0.2
147.08023	2.7
148.05164	0.4
148.08810	12.7
163.03906	2.3
163.07561	3.8
163.11160	100.0
164.07005	0.3
164.11581	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03934	0.6
53.28838	0.3
55.01860	0.6
55.05499	1.1
67.05480	1.3
69.03424	1.0
69.07072	1.9
71.05000	0.4
71.42699	0.3
77.03910	0.9
79.05488	6.8
80.05007	0.8
81.03407	0.6
81.06702	0.3
81.07058	3.2
83.04965	0.5
84.08133	0.5
85.02888	0.6
89.03903	2.1
91.05475	3.9
92.02618	0.3
93.07041	7.2
95.04954	3.9
95.08618	1.7
103.05460	10.8
104.05783	0.5
105.03388	2.2
105.04481	1.1
105.07025	3.5
106.06554	1.9
107.04943	5.9
107.08585	8.9
108.08083	0.3
109.06530	0.6
115.05422	0.8
115.56860	0.3
117.03378	1.8
117.05736	1.2
117.06207	0.3
117.06995	4.0
119.07849	0.3
119.08554	1.8
119.86240	0.3
120.08065	0.8
121.06506	2.7
121.10123	3.7
128.06151	0.3
130.06514	3.3
130.07768	1.5
131.04913	12.3
132.08067	4.8
133.02853	1.7
133.06516	1.9
133.07353	0.4
135.04419	4.9
135.08055	3.1
135.10797	0.3
135.11700	2.3
136.07571	0.5
140.71800	0.3
143.08560	0.7
145.02858	1.5
145.06505	0.4
145.10120	7.6
147.08046	2.8
148.05246	0.3
148.08815	11.9
149.09085	0.4
163.03903	8.7
163.07541	6.2
163.11163	100.0
163.12206	4.2
163.14755	2.4
164.06953	0.7
164.11583	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.39476	0.2
51.02375	0.5
53.03936	1.1
53.96041	0.2
55.01856	0.5
55.05499	0.6
65.26410	0.2
67.05490	0.7
69.03405	0.4
69.07059	1.4
77.03919	1.3
79.05482	5.8
80.04977	0.4
81.03436	0.5
81.07059	1.4
83.04948	0.3
84.08133	0.3
89.03888	0.6
91.05468	2.5
92.02599	0.9
93.07036	4.3
95.04959	6.3
95.08591	0.6
97.23654	0.2
98.23471	0.6
103.05453	3.6
105.03384	2.7
105.04486	2.1
105.07016	2.5
106.06543	1.5
107.04940	3.9
107.08587	4.3
108.05788	0.2
109.06498	0.3
115.05450	0.7
117.03394	0.3
117.05754	1.3
117.06999	3.0
119.04952	0.3
119.08557	1.0
120.02059	0.4
120.08069	0.5
121.06474	1.7
121.10098	1.5
128.06198	0.2
130.06509	3.2
130.07776	0.7
131.04922	3.5
132.08067	3.7
133.02843	5.7
133.06459	2.5
135.04407	7.7
135.08051	3.2
135.11691	1.3
143.08562	0.3
145.02899	0.2
145.06543	0.2
145.08972	0.3
145.10109	5.4
147.08038	3.2
148.08812	13.9
148.73138	0.2
149.09149	0.3
163.03891	25.7
163.07507	2.2
163.11157	100.0
164.04251	0.8
164.07027	0.4
164.11542	2.5
166.10849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02366	0.2
53.03939	0.5
55.01865	0.8
55.05501	0.8
57.03418	0.2
58.94511	0.2
60.54951	0.2
61.62973	0.2
65.03918	0.2
67.05518	1.1
69.03429	1.0
69.07068	1.9
69.21033	0.8
69.21447	0.4
71.04974	0.3
71.12531	0.2
73.37688	0.2
77.03907	0.6
79.05037	0.4
79.05486	6.0
81.03404	0.3
81.07054	1.8
83.04962	0.8
83.08604	0.3
89.03903	1.7
91.05480	3.2
93.07039	5.9
95.04958	2.3
95.08594	0.8
103.05456	8.3
104.05761	0.4
105.03401	0.4
105.04495	0.5
105.07014	3.7
107.04942	5.7
107.08585	5.8
109.06486	0.6
115.05426	0.5
117.03368	1.3
117.05750	0.3
117.07008	4.6
119.08565	2.1
121.06504	2.0
121.10130	3.4
128.06177	0.3
129.07054	0.3
130.06607	0.3
130.07770	1.4
131.04918	9.8
132.08099	0.3
133.02817	0.2
133.06476	2.4
135.04408	2.4
135.08054	3.0
135.11685	2.3
143.08525	0.5
145.02834	0.7
145.10112	9.0
146.10507	0.2
147.08025	3.1
148.08818	12.2
149.09222	0.2
163.03922	2.2
163.07556	4.5
163.11162	100.0
164.11516	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03943	0.8
55.01864	1.5
55.05507	2.6
57.03424	0.6
57.07069	0.7
67.05491	1.4
69.03405	1.7
69.07066	7.1
76.87306	0.4
77.03902	1.6
79.05043	0.7
79.05489	11.0
81.07053	4.2
83.04987	0.8
83.08607	2.9
89.03912	9.0
91.05466	6.3
93.07036	13.1
95.04957	4.2
95.08593	2.8
103.05462	40.9
104.05772	1.4
104.75150	0.4
105.03400	1.0
105.04517	1.0
105.07023	8.2
106.06591	0.6
107.04952	9.1
107.08587	24.2
108.08862	0.7
109.06498	1.6
113.99580	0.5
115.05432	1.2
117.03372	6.7
117.07005	5.3
119.06094	0.7
119.08569	4.6
120.05656	0.5
121.06501	3.1
121.10131	18.7
122.10477	0.6
123.08075	0.8
130.06490	2.2
130.07777	1.5
131.04922	42.9
132.05270	2.1
132.08069	1.7
133.02805	0.6
133.06514	2.5
133.07437	0.6
135.04413	11.9
135.08028	3.2
135.11682	11.5
143.08534	0.7
145.02869	4.8
145.10126	9.8
147.08063	3.3
148.08821	12.8
149.09264	0.6
163.03900	9.0
163.07533	19.8
163.11168	100.0
163.14780	5.8
164.11551	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	0.6
53.03946	0.7
53.65316	0.4
55.05507	13.7
57.03444	0.5
57.07071	5.8
65.03936	1.0
66.64771	0.4
67.05504	3.1
69.03429	0.7
69.07064	35.5
71.43643	0.6
75.58749	0.5
77.03931	1.0
79.05487	15.2
81.07055	5.3
81.46402	0.5
83.08610	14.6
83.09096	0.9
89.03907	1.2
91.05473	15.7
93.07039	33.3
95.04983	3.4
95.08604	6.7
103.05458	11.6
103.06108	0.9
105.04507	0.8
105.07021	20.1
106.83928	0.5
107.04951	3.9
107.08586	88.8
108.09463	4.0
109.06527	3.8
109.10164	3.6
117.03352	1.1
117.07026	1.5
119.06070	2.1
119.08572	9.8
120.08069	0.5
120.09355	0.6
121.10136	100.0
122.10394	2.4
123.08083	2.7
126.01907	0.5
130.06526	0.9
130.07770	0.8
131.04919	12.0
132.08067	0.8
133.02843	0.7
133.07600	1.8
133.10106	1.5
134.10835	1.0
135.04399	2.3
135.08086	0.6
135.11682	24.0
140.82407	0.6
145.02821	1.0
145.10130	2.9
148.08795	0.7
148.12451	0.9
163.03888	3.8
163.07530	5.0
163.11169	8.8
163.14809	30.6
164.10759	0.5
164.15199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01867	1.1
55.05503	4.6
57.07069	2.8
63.02365	1.5
65.03935	0.7
66.83444	0.6
67.05502	2.4
69.03424	1.4
69.07059	28.5
77.03930	3.2
79.05482	21.6
80.05820	0.7
81.03383	0.8
81.07041	4.2
83.08608	5.0
85.02885	1.5
89.03903	68.5
90.04247	1.8
91.05466	12.8
93.05761	0.9
93.07027	19.1
95.04957	8.6
95.08595	5.2
98.22717	2.5
103.04762	1.4
103.05455	27.3
104.05784	1.1
105.03367	2.3
105.04451	3.1
105.07016	11.4
106.06588	0.7
107.04939	33.1
107.08577	52.5
108.05259	0.9
108.08801	0.9
109.06503	2.5
109.10182	0.8
115.05456	2.7
117.03361	55.5
117.05721	1.3
117.07008	1.7
118.03694	1.3
119.06119	0.9
119.08552	4.6
120.05726	1.9
120.08123	1.3
121.06477	1.7
121.10130	28.3
123.08070	1.2
127.32197	0.7
130.06487	2.7
131.04912	26.3
132.05276	0.8
132.08086	3.4
133.02820	1.8
133.10161	0.8
135.04396	100.0
135.07999	5.1
135.11670	12.1
136.04733	3.6
136.07523	3.3
145.02827	38.1
145.03856	2.0
145.06461	0.7
145.10068	2.5
146.03107	1.0
146.05978	1.8
148.05156	1.2
148.12442	0.8
163.03880	81.8
163.07506	11.1
163.08691	1.3
163.11136	4.5
163.12332	3.4
163.14787	21.8
164.04242	2.4
164.07033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75838	0.4
51.86909	0.4
66.47357	0.4
69.40840	1.9
75.00702	0.4
82.99831	5.3
100.02481	1.1
101.00868	45.6
102.00954	1.8
117.90891	0.4
119.01904	100.0
120.01977	3.7
124.02425	6.6
137.02940	18.9
138.03061	1.0
142.03482	63.4
143.03645	1.8
160.04527	13.2
161.04710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02005	0.4
69.13447	2.2
82.99830	3.5
98.23591	0.5
100.02489	1.0
101.00871	37.0
102.00959	1.6
119.01910	100.0
120.01995	3.6
121.02367	0.5
124.02434	7.8
129.48853	0.4
137.02945	20.3
138.03119	0.6
142.03490	67.6
143.03603	2.8
160.04539	15.5
160.05870	1.0
161.04823	0.5
165.05023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.5
59.74260	0.3
64.29671	0.2
71.38256	0.4
82.01447	0.5
82.46816	0.3
82.99825	4.1
91.05467	0.4
98.23317	0.3
100.02475	1.0
101.00873	40.5
101.80967	0.2
102.00943	1.3
118.03522	0.3
119.01909	100.0
120.01984	3.7
121.02323	0.7
123.04402	0.9
124.02430	6.0
124.03328	0.4
137.02946	20.2
138.03067	0.6
142.03490	62.2
143.03581	2.4
147.04433	0.3
160.04543	14.0
161.02997	0.3
161.04620	0.7
165.05101	1.0
165.06500	0.3
167.18810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61166	0.3
56.96550	0.6
59.60884	0.3
69.75678	1.1
74.55431	0.3
82.01440	0.7
82.99821	2.9
91.07909	0.3
98.23504	0.3
100.02470	1.4
101.00869	39.5
102.00955	1.4
119.01907	100.0
120.01998	3.5
124.02443	5.4
137.02940	21.4
138.03000	0.7
142.03485	63.5
143.03615	2.1
153.71443	0.4
160.04544	14.7
161.04706	0.4
165.05165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01863	1.2
55.05509	7.6
56.53474	0.8
57.03445	5.2
57.07069	7.9
59.04985	3.2
64.09418	0.8
65.03921	3.5
67.05499	37.1
69.03420	11.6
69.07065	11.4
70.95630	1.2
71.04977	2.1
77.03931	1.7
79.01837	0.9
79.05038	1.3
79.05487	18.5
81.03407	3.0
81.07049	36.0
83.04961	3.3
83.08608	3.7
85.06535	1.8
91.05474	25.7
93.07046	10.5
94.04178	0.8
94.07260	0.8
95.04962	56.1
95.08597	37.6
95.24294	0.8
97.06485	0.9
101.00876	6.0
101.01505	1.1
103.05457	2.1
105.07020	35.0
107.04955	6.1
107.08583	46.2
108.05736	1.9
108.08904	1.4
109.06509	32.8
109.10140	7.1
110.07294	2.4
111.08031	1.0
117.07007	3.5
119.01920	17.9
119.04947	2.6
119.08569	49.5
120.08059	0.9
120.08873	1.5
121.06482	2.3
121.10131	10.3
122.03620	1.4
122.07298	1.0
123.04347	1.3
123.08059	42.5
123.11691	30.5
124.02444	1.3
124.32837	0.8
129.07002	2.9
132.05704	4.2
133.02792	1.5
133.06491	10.0
136.08849	1.7
137.02968	3.8
137.05959	14.6
137.09631	7.2
137.13237	7.0
142.03479	10.3
145.10159	1.4
147.04414	3.9
147.08031	22.7
147.11667	11.9
150.10376	1.5
160.04576	2.3
165.05458	1.1
165.09071	9.5
165.12743	100.0
166.13083	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03934	2.1
55.01863	3.3
55.05505	9.2
57.03432	6.1
57.07064	6.6
58.73567	1.1
59.04985	4.2
65.03933	3.1
67.05498	41.8
69.03419	8.0
69.07063	12.8
70.18627	1.4
70.18944	1.5
71.04994	2.3
77.03912	1.4
79.05482	22.4
81.03400	5.0
81.07048	36.5
83.04979	5.3
83.08607	2.0
85.06528	1.9
91.05470	34.0
91.56709	1.1
93.07038	15.2
95.04959	57.6
95.08598	34.7
96.08923	1.6
97.06519	1.6
101.00873	17.0
103.05444	3.9
103.11057	1.2
105.04524	1.5
105.07021	40.6
106.07349	1.7
107.04961	7.0
107.08586	50.6
108.05777	1.4
109.06506	31.6
109.10153	11.1
110.07276	1.9
117.07047	5.7
119.01910	74.7
119.04926	6.8
119.06108	1.2
119.08568	54.4
120.01959	2.2
120.08096	2.9
120.08878	1.6
121.06505	2.3
121.10141	14.5
122.03635	1.4
122.07306	2.0
123.04427	3.0
123.08054	42.5
123.11697	30.1
124.02424	2.2
129.06979	2.4
132.05701	3.6
133.02849	4.7
133.06471	9.4
137.02951	26.7
137.05960	18.3
137.07950	2.1
137.09590	13.8
137.13243	5.5
142.03487	45.6
143.03632	1.6
147.04396	11.0
147.08038	22.9
147.11655	18.2
148.08487	1.5
160.04575	14.2
165.05461	3.9
165.09087	14.1
165.12741	100.0
166.04939	1.9
166.13182	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03944	5.5
55.05510	5.2
57.03424	1.9
57.07066	3.3
58.60661	0.7
59.04989	2.4
65.03913	1.2
67.05498	12.2
69.03424	25.3
69.07066	10.8
70.80283	0.9
71.04980	1.2
79.05492	6.7
81.03408	23.0
81.07046	19.8
82.07372	1.2
83.04958	4.5
83.08642	1.4
91.05465	8.8
93.07034	5.9
95.04961	12.5
95.08593	19.7
96.05276	0.9
101.00863	4.9
103.05441	1.3
103.08497	0.8
105.07018	15.1
107.04969	1.1
107.08590	10.1
109.06503	17.4
109.10129	6.0
110.07306	3.1
111.08032	1.8
119.01897	18.8
119.04868	0.9
119.08565	14.0
121.06509	1.5
121.10135	6.9
122.07260	0.8
123.08057	23.1
123.11700	14.7
133.02847	1.9
133.06480	2.3
135.08060	1.0
136.07613	1.3
137.02943	4.0
137.05972	3.2
137.07936	9.3
137.09586	5.0
137.13217	4.0
142.03487	12.4
147.04404	2.2
147.08067	0.9
147.11639	7.5
150.10419	0.9
160.04576	3.0
165.05476	1.3
165.09117	3.8
165.12741	100.0
166.13136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1638
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03955	0.5
55.05256	0.5
55.05506	7.1
55.82123	0.3
57.07073	7.4
65.03929	1.3
67.05499	44.6
68.05826	0.6
69.03413	0.4
69.06703	0.7
69.07059	9.0
71.08631	3.7
79.05489	4.1
81.07051	36.1
82.07403	0.4
83.08614	2.9
85.10180	2.0
91.05470	2.0
93.07029	3.8
95.04970	0.8
95.08599	65.5
96.08937	1.4
97.10142	0.5
101.00868	1.8
105.07030	1.5
107.08584	3.6
109.06482	1.2
109.10146	100.0
110.10475	1.9
117.52685	0.3
119.01906	4.8
119.04930	0.5
119.08553	1.7
121.10139	1.2
122.07220	0.7
123.08047	1.5
123.11700	24.9
124.12074	0.4
131.24567	0.4
133.06479	0.6
135.08043	0.7
136.08835	0.4
137.02957	1.0
137.05948	0.5
137.09573	2.6
137.13240	1.8
142.03503	2.6
147.04422	0.6
147.05490	0.4
147.11737	0.7
149.09589	1.4
150.10387	6.4
157.61806	0.3
160.04579	0.7
165.05261	0.5
165.06963	0.5
165.09074	2.3
165.12738	27.9
165.16368	11.5
166.13040	1.1
166.32716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1638
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03944	0.8
55.01867	1.2
55.05509	9.1
57.06810	0.9
57.07072	9.8
58.32938	0.5
64.55698	0.5
65.03937	1.1
67.05501	48.1
68.05842	0.7
69.03416	3.2
69.07065	9.4
71.08624	5.2
71.42873	0.4
74.58972	0.4
77.03930	1.1
79.05492	8.9
79.23107	0.5
80.06248	0.7
81.03398	0.7
81.07053	50.7
82.07374	0.6
83.04987	1.1
83.08608	4.1
85.10181	2.3
91.05468	8.8
92.05783	0.6
93.07049	6.1
94.04182	0.8
95.04967	6.7
95.08601	69.7
96.08938	1.2
97.10152	1.5
100.05742	0.5
101.00861	3.4
103.05473	3.5
105.04524	1.3
105.07025	22.7
105.82285	0.5
106.07355	0.6
107.04929	1.1
107.08588	7.8
108.05704	0.7
109.06516	3.9
109.10151	100.0
110.10482	2.5
119.01925	9.9
119.04939	1.5
119.08572	7.7
120.02094	0.6
120.08114	0.6
121.06501	0.7
121.10148	2.4
122.03654	2.0
122.07256	0.8
123.04414	0.5
123.08063	8.9
123.11700	37.7
124.02453	0.5
124.05190	0.5
124.12020	0.9
133.02843	1.1
133.06479	12.3
133.07495	0.8
137.02968	1.6
137.04933	1.0
137.05975	14.0
137.07933	3.8
137.09578	4.2
137.13210	2.8
142.03479	5.8
147.04391	2.0
147.08037	3.5
147.11665	4.5
160.04564	1.3
165.05478	1.2
165.09096	6.5
165.12749	9.5
165.14935	0.7
165.16380	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	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02368	0.1
53.03932	0.2
56.46835	0.1
58.18310	0.1
59.94667	0.1
61.64537	0.1
63.51632	0.1
69.44136	0.6
77.03906	0.4
77.97492	0.1
79.05482	2.8
91.05461	1.1
93.07034	2.4
95.04945	0.6
101.00892	0.1
102.00969	0.3
103.05453	11.6
104.05767	0.2
105.04487	0.3
107.04241	0.3
107.04940	3.7
118.06447	0.2
119.01912	0.2
119.07337	0.1
119.66212	0.1
120.02042	0.7
120.08086	100.0
121.01643	0.2
121.06473	0.9
121.08427	2.5
131.04895	2.2
135.04419	1.0
143.03635	0.6
144.03217	0.2
149.05956	0.9
166.07355	0.2
166.08603	1.1
167.06982	0.2
172.65450	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02356	0.6
53.03939	1.3
53.35419	0.4
55.01857	0.7
55.05506	15.5
56.93740	0.4
57.03418	0.8
57.07061	0.7
58.03096	0.4
59.04993	1.6
64.03158	0.4
64.57483	0.4
65.03926	1.4
66.04704	1.4
67.05499	4.4
69.03426	3.9
69.07043	1.8
70.06582	0.7
71.04977	1.1
77.03919	2.1
78.04705	16.4
79.05486	16.0
81.03395	1.0
81.07049	6.4
83.04973	16.8
83.08611	5.8
84.08962	0.6
85.02882	0.4
85.06525	1.0
91.05466	3.9
93.03407	0.6
93.07036	6.4
94.04167	2.1
95.04957	7.4
95.08585	2.5
96.05746	1.0
97.02855	0.5
97.06523	1.6
97.10161	2.3
99.04366	0.4
103.05447	0.4
105.03376	1.4
105.04518	2.3
105.07048	2.1
105.07674	0.4
106.04160	7.5
107.04949	12.3
107.08588	6.0
109.02887	0.8
109.06492	2.3
109.10132	3.8
111.04424	0.7
111.08072	4.9
112.08884	1.1
113.09628	0.5
121.01637	2.3
121.02874	0.8
121.06495	2.1
121.07601	0.6
121.10122	5.3
122.03629	5.1
123.04417	31.2
123.08025	0.9
123.11693	1.4
124.05217	10.1
125.05959	1.6
125.09599	1.9
131.08510	0.5
134.03635	2.3
135.04431	1.3
137.05977	1.3
138.02968	0.4
139.07516	0.6
139.11163	0.5
144.03194	0.9
149.02339	0.6
149.05925	0.7
149.07042	0.6
149.09590	1.8
149.13220	1.1
151.03891	6.2
152.04663	7.7
167.07018	100.0
167.14281	5.3
168.07401	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.23885	0.3
53.03920	0.6
65.03918	0.6
66.04709	1.3
67.05489	0.6
69.07040	0.4
69.87647	0.7
69.87978	0.4
70.06582	2.2
75.05754	0.3
77.03912	0.8
78.04703	16.3
79.05055	0.6
79.05479	3.4
81.03407	0.6
81.07042	1.0
83.04958	0.3
85.02879	0.4
91.05465	0.9
92.02604	0.4
93.03378	0.4
93.07030	0.5
94.04159	1.0
95.04962	3.9
96.05722	1.3
96.08137	0.3
97.06477	0.3
98.22832	0.6
103.00616	0.8
105.03367	1.3
105.04518	0.9
105.07029	0.4
106.04163	7.9
107.04933	1.2
107.08594	0.9
109.02868	1.0
111.04453	0.5
111.08055	0.5
120.02026	0.6
121.01664	1.9
121.02860	0.6
121.06452	0.5
121.07589	0.4
121.10129	0.3
122.03621	3.1
122.06030	0.8
123.04417	29.1
124.05219	8.2
126.12662	0.3
134.03610	2.4
135.04416	1.0
137.05992	1.1
138.03131	0.4
139.02640	0.3
144.03229	1.0
149.02335	0.9
149.05972	0.4
149.07117	0.4
150.03036	0.4
150.09186	0.8
151.03894	5.6
152.04671	5.2
167.07016	100.0
168.04204	0.4
168.07358	3.2
168.13838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01603	0.3
51.02369	0.4
52.06319	0.2
53.03940	0.8
54.90438	0.2
55.01852	0.7
55.05509	1.8
57.03437	0.4
62.36714	0.2
65.03934	1.4
65.84796	0.3
66.04710	1.2
67.05496	1.6
68.99798	0.2
69.03423	1.0
69.07062	1.3
69.54795	0.4
69.55190	0.5
70.06583	14.8
71.04984	0.4
72.97380	0.2
74.30232	0.2
77.03917	1.4
78.04699	19.5
79.05070	0.3
79.05478	7.0
81.03407	1.1
81.07042	2.7
82.06565	0.2
83.04956	1.6
83.08620	0.6
85.02895	0.4
85.06536	0.2
91.05466	2.8
92.02620	0.4
93.03391	0.9
93.07037	3.9
94.04179	1.2
95.04956	5.1
95.08588	1.4
96.05721	1.3
97.02867	0.3
97.06512	0.9
98.09686	0.3
98.23554	0.3
103.00591	0.3
105.03360	1.2
105.04503	1.0
105.07035	1.8
106.04158	7.5
107.04953	3.1
107.08578	7.0
108.04469	0.4
108.08100	0.3
108.08865	0.3
109.02851	0.8
109.06504	1.8
109.10152	0.6
110.03644	0.5
111.04417	0.8
111.08085	0.7
119.06069	0.4
120.02071	0.4
121.01674	1.9
121.02854	0.5
121.06513	1.1
121.07616	0.6
121.10122	3.9
122.03635	3.6
122.09666	0.3
123.04411	31.9
123.08048	0.8
123.11717	0.5
124.05209	8.1
125.05971	0.8
125.09632	0.8
131.08553	0.4
134.03596	2.5
135.04396	1.6
137.02324	0.5
137.05954	1.5
138.03114	0.6
139.02722	0.6
139.03870	0.6
139.07510	0.4
139.11118	0.3
144.03238	1.1
149.02332	0.8
149.05957	0.5
149.07071	0.5
149.09584	1.9
151.03874	6.2
151.05054	0.5
152.04660	6.1
157.04965	1.1
162.04263	0.4
167.03401	2.8
167.07005	100.0
167.10616	1.6
167.15437	0.7
168.04106	0.5
168.07417	2.7
168.13850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.01582	0.4
53.03933	0.8
55.01855	0.7
55.05504	1.4
55.05715	0.2
57.03426	0.7
65.03918	0.9
66.04707	0.9
67.05498	3.3
69.03410	0.7
69.07044	1.4
71.04974	0.7
73.02905	0.4
77.03914	1.1
78.04703	16.1
79.05107	0.6
79.05482	12.1
80.05795	0.4
81.03400	0.4
81.07050	7.4
83.04974	1.0
83.08610	0.5
85.02876	0.6
91.05467	3.5
93.03393	0.6
93.07035	12.7
94.04153	1.2
94.07377	0.4
95.04960	5.2
95.08599	3.0
96.02081	0.3
96.05724	1.4
97.06516	1.6
103.00632	0.3
105.03383	1.6
105.04470	1.4
105.07015	1.8
106.04162	7.1
107.04253	0.5
107.04947	7.3
107.08576	4.3
109.02859	0.9
109.06517	1.8
109.10139	0.5
111.04420	0.7
111.08055	1.1
118.99449	0.3
119.06011	0.3
119.08621	0.3
120.02101	0.6
120.05656	0.2
121.01654	1.2
121.06506	1.5
121.07668	0.5
121.10130	16.3
122.03634	3.7
122.10422	0.4
123.04417	28.6
123.08040	1.1
123.11668	1.1
124.05210	8.6
125.06030	1.7
125.09605	0.4
131.08563	2.1
134.03622	2.9
135.04399	1.6
137.05984	1.3
138.03084	0.3
139.07498	0.4
139.11194	1.3
144.03226	1.0
149.02306	0.4
149.09602	4.9
149.13210	0.6
151.03888	5.2
152.04674	6.6
157.05029	0.5
167.07016	100.0
167.10640	3.1
168.04184	0.7
168.07397	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	1.4
55.01860	1.3
55.05508	11.9
57.07071	1.7
58.12755	0.5
59.04994	3.3
65.03922	0.5
65.37893	0.5
67.05502	5.7
69.03424	1.9
69.07062	45.1
69.83429	1.7
70.07386	0.6
72.08064	0.5
77.03912	2.1
78.04711	1.2
79.05488	17.7
80.36687	0.5
81.07052	10.8
83.04974	2.9
83.08601	2.0
91.05474	14.9
91.06054	1.0
91.89384	0.5
93.07036	80.1
94.07381	1.8
95.04958	6.2
95.08597	12.1
97.06522	6.8
97.10148	1.4
98.07291	0.5
103.05462	2.0
105.04500	1.8
105.07021	21.8
106.07818	1.5
107.04981	0.7
107.08545	1.4
109.06510	1.2
109.10133	1.4
111.11716	7.0
119.08528	3.8
121.01707	1.0
121.06512	3.4
121.10132	100.0
122.10480	1.6
123.04422	2.1
123.08064	7.3
123.10827	0.5
133.07603	2.8
135.07985	0.6
139.11142	2.4
149.09595	12.7
162.10373	0.6
167.07025	7.7
167.10661	28.8
168.10962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03938	1.9
55.01869	1.6
55.05505	7.4
57.03433	2.6
57.07058	1.4
58.60610	0.5
59.04987	1.5
62.31709	0.5
65.03937	1.3
67.05499	10.2
69.03414	2.7
69.07067	7.7
69.11820	1.2
69.12230	2.7
71.04987	9.1
73.06551	3.1
75.04472	3.7
77.03912	2.8
78.04706	12.9
78.72226	0.7
79.05484	23.1
81.03418	1.1
81.07046	22.8
83.04971	2.4
83.08598	2.7
85.06522	0.8
87.04457	1.4
91.05468	17.0
93.07034	100.0
94.07372	1.6
95.04956	8.5
95.08595	27.9
96.05762	1.1
96.09026	0.6
97.02880	0.6
97.06523	4.5
97.10196	0.6
98.22771	1.3
99.04364	0.6
103.00636	0.7
103.05473	1.3
105.03394	1.0
105.04499	4.0
105.07015	13.1
106.04147	6.0
106.07812	1.0
107.04942	8.0
107.08579	17.5
109.02886	1.2
109.06512	2.6
109.10144	7.3
111.04454	1.6
111.08068	22.4
119.08572	2.1
121.01658	2.9
121.06505	3.5
121.10131	81.0
122.03651	2.5
122.09639	1.1
122.10453	1.8
123.04418	21.1
123.08058	4.1
123.11716	5.6
124.05211	6.4
125.05970	2.5
125.09625	1.9
131.08527	6.4
133.07584	2.4
134.03625	2.0
135.04417	2.3
135.08040	1.3
137.06018	0.9
139.02661	1.0
139.07500	0.8
139.11137	4.6
140.07065	0.6
144.03244	2.6
148.51176	0.7
149.02356	1.0
149.05977	0.7
149.07088	0.9
149.09601	17.2
149.13249	7.2
151.03889	5.1
152.04654	4.3
167.07018	74.3
167.10651	13.6
167.14264	3.9
168.07391	1.0
177.45497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.21278	0.5
50.89333	0.5
51.02369	0.5
53.03935	1.1
55.01870	0.8
55.05497	3.7
57.03432	2.2
57.07081	0.9
59.04996	2.2
62.01960	0.5
65.03944	1.2
67.05504	4.1
69.03432	1.6
69.07056	3.1
69.43843	2.5
71.05001	3.1
73.06543	0.8
75.04486	4.9
77.03930	2.4
78.04704	4.3
79.05489	17.2
81.03431	1.0
81.07051	16.4
83.04972	1.6
83.08617	1.1
87.04472	1.1
87.82271	0.6
91.05466	13.5
93.07040	100.0
94.07371	1.8
95.04961	6.6
95.08600	12.4
97.02904	0.7
97.06538	3.5
98.98447	0.6
103.05460	0.9
105.04500	2.6
105.07030	13.5
106.04174	2.6
106.07808	0.8
107.04942	2.8
107.08583	11.9
108.08928	0.7
109.02816	0.7
109.06501	2.3
109.10145	2.0
111.04427	1.2
111.08076	23.2
112.08361	0.7
119.08585	1.8
121.01676	2.2
121.06496	2.2
121.10138	83.7
122.10491	2.5
123.04436	7.3
123.08079	3.6
123.11716	2.6
124.05194	2.4
125.05991	2.5
125.09632	1.3
131.08591	2.4
133.07599	1.7
137.06006	0.7
139.02716	0.9
139.11166	7.9
144.03224	1.3
145.10439	0.6
149.02377	0.6
149.07121	1.0
149.09599	7.4
149.13248	1.8
151.03902	1.6
152.04701	1.2
161.12082	0.6
165.89339	0.5
167.03438	1.4
167.07036	29.4
167.08301	1.7
167.10649	9.1
167.11957	0.7
167.14233	1.4
168.07433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01852	3.9
55.05505	88.3
57.03428	3.0
57.07052	3.3
58.06567	1.7
59.04990	10.0
62.65922	1.3
65.03922	3.5
66.04713	1.6
67.05499	20.6
68.60122	1.2
69.03423	22.5
69.07060	11.5
69.43889	5.6
70.06582	43.2
71.04976	5.2
76.35286	1.0
77.03914	2.3
78.04701	22.9
79.05043	1.9
79.05483	28.9
80.64761	1.1
81.03413	2.1
81.07045	20.1
83.04969	89.3
83.08607	34.1
84.05297	1.3
85.06519	6.7
91.05470	13.8
93.03364	1.4
93.07036	16.6
94.04155	2.2
95.04960	10.1
95.08605	9.0
97.02889	1.6
97.06517	6.8
97.10163	8.8
103.00613	2.1
103.05446	1.3
105.03412	1.4
105.04549	2.8
105.07021	6.5
106.04151	8.9
107.04943	23.1
107.08572	31.3
108.04473	1.2
109.06497	5.0
109.10156	16.6
111.04386	1.9
111.08067	23.6
112.08837	4.7
113.09635	2.1
119.06040	1.5
120.15031	1.2
121.01670	5.9
121.06480	15.3
121.10126	24.0
122.03632	3.5
123.04419	31.7
123.08049	4.7
123.11722	7.0
124.05190	11.0
125.05981	4.9
125.09615	12.9
126.10358	1.3
126.70488	1.2
131.08540	2.1
134.03610	3.1
135.04414	2.8
135.08037	14.1
137.05954	2.0
138.55849	1.2
139.02690	2.6
139.07510	1.3
139.11148	2.0
144.03239	3.0
149.02315	2.3
149.05969	2.4
149.07028	1.8
149.09554	6.8
149.13237	4.2
151.03889	7.3
152.04631	6.8
162.04289	1.6
167.03337	4.7
167.07011	100.0
167.10631	4.8
167.14279	29.4
167.15662	1.8
168.07338	3.4
168.13811	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03934	1.7
55.05509	21.0
57.03429	3.9
57.07063	4.8
59.04982	4.0
67.05160	2.6
67.05497	35.5
69.03423	4.7
69.06719	1.8
69.07065	27.9
69.35754	5.1
71.04986	39.6
73.06551	15.0
78.04710	9.3
78.84404	1.2
79.05488	21.8
81.03426	2.1
81.07053	42.4
83.04961	4.1
83.08608	7.4
85.06516	4.2
91.05460	13.3
93.06448	2.5
93.07035	51.4
95.04950	7.8
95.08598	100.0
96.08951	1.6
97.06526	8.0
97.10162	1.7
98.22744	2.0
99.08098	1.6
103.00604	2.4
103.71919	1.6
105.07024	7.3
106.04176	3.3
107.04955	3.3
107.08581	56.7
108.08865	1.6
109.06524	2.0
109.10143	31.6
111.08076	8.6
119.08549	2.5
121.01668	9.4
121.07574	1.5
121.10126	34.7
123.04422	16.0
123.08046	2.8
123.11689	11.0
124.05186	6.0
125.09601	4.7
135.52383	1.3
139.02699	2.1
144.03235	5.1
149.09648	2.5
149.13242	30.1
151.03877	2.8
152.04688	6.0
167.07022	68.3
167.10637	3.2
167.14304	11.8
168.07356	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01870	1.3
55.05503	9.4
57.03417	3.2
57.07059	2.3
59.05001	1.5
61.88628	1.0
65.03935	1.0
66.04702	1.3
66.80653	0.7
67.05494	12.2
69.03407	1.7
69.07062	12.8
69.74374	3.2
71.04990	12.4
73.06543	4.1
78.04706	16.0
79.05486	14.8
81.06618	1.4
81.07054	14.3
83.04958	3.2
83.08609	5.1
84.96027	1.1
85.06528	2.9
87.08049	1.1
91.05466	7.4
93.07034	32.0
95.04972	7.0
95.08596	31.6
96.05763	1.1
97.06509	3.7
98.23387	1.3
98.98497	1.2
103.00633	2.0
105.03394	1.7
105.04508	2.4
105.07005	4.8
106.04153	6.9
107.04961	6.1
107.08582	22.9
108.04486	1.5
109.06505	1.8
109.10157	8.8
111.04451	1.1
111.08074	7.7
121.01655	11.8
121.06488	2.0
121.10129	20.3
122.03622	4.0
123.04420	27.9
123.08048	3.3
123.11700	4.2
124.05233	8.2
125.05949	1.8
125.09575	2.6
126.05534	1.0
131.08499	1.0
135.04391	1.0
137.05998	1.5
139.02696	4.3
139.11157	1.4
144.03226	8.3
149.02287	2.1
149.05997	1.1
149.07124	1.9
149.09589	3.1
149.13237	11.2
151.03870	4.1
152.04665	6.0
162.04196	2.1
167.07019	100.0
167.08099	3.8
167.10669	2.3
167.14276	6.8
168.04004	0.9
168.07352	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
53.03923	1.1
55.05508	10.8
57.03414	3.0
57.07059	2.4
58.29095	0.7
59.04983	3.2
65.03937	0.9
66.04706	1.0
67.05501	15.8
69.03408	1.9
69.07059	11.9
70.63201	1.6
71.04991	15.7
73.06554	8.2
73.30113	0.8
77.03920	1.8
78.04698	17.0
79.05045	1.1
79.05484	13.4
81.07053	18.7
83.04967	3.1
83.08600	3.3
84.96002	0.9
85.06524	1.4
91.05457	7.0
93.07038	27.6
95.04958	6.3
95.08595	48.7
97.06541	3.9
103.00620	1.3
105.03356	1.8
105.04467	1.6
105.07028	4.6
106.04148	5.8
107.04991	4.9
107.08585	22.5
109.02843	0.9
109.06499	2.7
109.10146	11.3
111.08055	4.0
121.01648	6.6
121.06480	1.3
121.10130	18.3
122.03642	3.6
123.04423	27.4
123.08071	2.1
123.11688	3.6
124.05207	8.4
125.05975	1.0
125.09618	3.4
134.03577	2.2
135.04395	1.0
139.02682	2.0
139.11125	1.2
144.03218	4.5
149.02370	1.0
149.09624	2.4
149.13248	10.9
151.03909	4.6
152.04707	7.4
162.04347	1.7
167.07019	100.0
167.10696	2.7
167.14308	6.7
168.07469	1.9
168.14706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01853	2.2
55.05511	17.5
57.03420	3.3
57.07064	1.9
59.04977	2.4
65.03938	1.1
67.05499	15.3
69.03418	2.8
69.06713	0.9
69.07063	12.3
69.51470	1.3
69.51851	2.1
71.04991	12.7
73.06549	5.4
77.03893	0.8
78.04305	1.4
78.04709	15.7
79.05059	0.9
79.05490	13.0
81.07052	19.6
83.04967	2.4
83.08619	8.4
85.06532	1.1
90.31072	0.8
91.05465	7.3
93.07037	34.8
94.04202	1.3
94.07355	1.0
95.04961	6.8
95.08598	36.5
96.05740	1.0
96.08900	1.1
97.06520	6.1
100.58463	0.8
103.00617	1.7
105.03385	1.1
105.04497	1.8
105.07025	3.6
106.04180	5.5
107.04948	6.2
107.08587	25.4
109.06516	1.7
109.10146	12.2
111.08090	7.3
114.85229	0.8
121.01663	7.0
121.06509	1.5
121.10136	22.0
122.03644	4.6
123.04422	26.3
123.08057	1.9
123.11681	5.3
124.05216	10.9
125.09637	2.1
134.03624	2.4
137.05902	1.7
139.02698	2.0
144.03142	5.0
149.02211	1.0
149.09579	1.7
149.13251	13.4
150.09108	1.6
151.03867	5.6
152.04669	6.5
162.04301	2.0
167.07024	100.0
167.08070	3.6
167.14293	7.0
168.07385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.04510	0.1
56.96550	0.7
61.66637	0.1
68.84499	0.1
69.78044	0.3
69.78426	0.3
70.06601	0.7
74.87199	0.1
79.01846	0.2
80.05002	1.2
81.07088	0.1
92.04987	11.5
94.06574	0.1
94.78786	0.1
95.01337	0.5
98.23460	0.1
108.04458	3.7
108.05193	0.2
112.07609	0.2
122.05952	0.2
126.12824	0.2
136.03917	6.9
150.05351	0.2
154.04962	100.0
155.05322	2.2
156.03299	1.5
166.01781	0.1
168.06529	8.9
168.13799	0.2
169.06879	0.2
174.04359	2.1
178.23164	0.1
184.02817	0.2
186.04393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	Myrothenone A
Peak:m/z	Relative Intensity
50.22328	0.7
50.55627	0.6
53.03939	0.7
55.01867	1.3
55.05508	1.2
56.96555	1.5
65.03940	4.5
67.02641	0.7
67.05504	6.5
67.40527	0.7
67.47514	0.8
67.92519	1.8
68.05031	1.1
69.03430	0.8
69.07063	100.0
70.06586	22.6
70.07408	0.9
71.04971	0.8
71.41032	0.9
76.97984	0.7
79.05505	3.1
80.05033	0.8
81.03392	1.1
81.07058	2.5
82.06590	0.9
82.94829	2.6
83.04962	1.0
84.04498	0.7
91.05457	1.2
93.03418	1.1
93.07032	0.8
94.06566	2.8
94.17027	0.8
94.48667	0.7
95.04955	8.5
95.08606	2.6
96.04485	0.9
97.06522	5.0
98.06056	1.7
98.23013	1.2
100.07632	1.1
105.07025	1.4
108.04475	3.8
108.05202	1.1
110.03636	1.0
111.00838	1.2
111.04432	5.4
112.07599	16.2
112.08315	1.3
116.16664	0.8
121.01660	1.3
122.06055	3.6
123.04429	5.8
123.08060	1.5
123.97466	2.0
124.03958	1.0
125.05991	1.0
126.05507	3.7
136.42157	0.9
140.07054	46.2
141.05467	3.4
144.94791	1.1
145.03525	1.0
150.02795	0.8
150.05518	2.7
151.03917	2.1
151.07567	1.0
151.08687	1.1
154.04985	2.3
162.95926	2.3
163.97682	1.3
168.06383	9.5
168.10144	1.3
168.13857	1.4
169.05019	1.2
169.17981	0.8
181.98798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1383
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
53.03930	0.7
55.01859	0.9
55.05505	7.8
56.05040	1.5
57.03434	3.7
57.07086	0.9
59.05018	0.5
65.03932	1.2
66.37552	0.4
67.05499	17.5
69.03418	1.3
69.07075	2.6
70.06586	100.0
70.19684	1.1
71.04961	0.4
71.06931	1.3
71.08607	1.1
71.66298	0.5
78.98479	0.5
79.05043	1.1
79.05486	11.3
80.05035	0.9
80.05833	0.7
81.03423	0.9
81.07050	49.5
82.02939	5.7
82.07387	1.2
83.04981	2.6
88.11267	1.7
90.86326	0.5
91.05473	45.6
92.05801	1.3
93.07030	4.0
94.06553	0.9
94.07348	1.0
95.04966	5.4
95.08591	3.0
96.08199	0.5
97.06541	0.7
105.07024	7.0
106.07347	0.7
107.08576	5.0
108.04478	1.5
108.08145	0.7
108.08874	1.1
109.02877	1.0
109.06508	9.6
109.10145	2.4
121.10162	1.0
122.06030	0.7
122.09662	2.7
123.04395	1.0
123.08070	1.3
123.11694	5.5
124.04761	1.2
126.05453	1.2
129.93527	0.5
133.10112	3.6
139.11177	1.0
141.05449	1.7
150.05426	1.1
150.09026	0.7
150.12776	4.1
151.07552	0.4
151.11157	11.4
168.07509	5.4
168.13823	50.3
169.04921	0.9
169.14232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.13697	0.4
52.17316	0.5
53.03938	3.5
55.01865	4.4
55.05291	0.5
55.05502	4.9
57.03433	0.7
65.03929	1.1
67.05501	14.7
68.99786	16.7
69.03410	1.7
69.07043	1.3
70.06571	0.8
71.04967	0.6
79.05489	8.1
81.03410	13.9
81.07050	29.1
83.04974	10.7
83.08619	2.9
84.04494	1.0
85.06556	0.6
85.94595	0.6
86.09666	0.9
89.44382	0.4
91.05452	2.6
91.59042	0.5
93.07040	4.6
94.36851	0.4
95.04961	5.9
95.08598	24.4
97.06509	0.5
98.22695	0.5
98.23257	0.7
99.04457	0.9
99.08102	0.6
105.07018	11.6
107.04948	9.2
107.08611	2.2
109.02870	36.6
109.06498	4.6
109.10138	0.8
110.03197	0.7
110.06037	0.5
111.00784	1.1
111.04442	1.3
111.08076	1.1
117.67133	0.4
123.04433	1.3
123.08059	22.9
123.11683	5.5
124.03938	0.6
125.09541	0.7
126.03119	2.7
127.03905	100.0
128.04236	1.6
133.06474	3.8
133.07469	0.6
133.10129	3.3
141.05450	4.8
146.96033	0.5
151.07541	18.8
151.08653	1.3
151.11118	2.3
152.06955	0.6
155.03377	3.7
163.97643	1.0
169.04974	1.6
169.08612	38.0
169.12282	1.3
170.05768	2.7
170.09183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.02357	0.5
51.84919	0.4
53.03942	4.1
53.43544	0.3
55.01617	0.4
55.01865	4.8
55.05507	4.3
55.25673	0.3
57.03407	0.4
65.03912	1.0
67.05500	12.7
68.99787	18.3
69.03418	2.0
69.07058	0.7
70.06583	0.7
71.04977	0.5
71.06886	0.5
71.41915	0.4
77.03894	0.4
79.05041	0.6
79.05485	9.8
81.03411	16.6
81.07051	20.9
82.07368	0.7
83.04976	11.3
83.08630	3.1
85.02899	0.7
85.94619	0.5
91.05470	1.7
93.07036	3.6
95.04967	6.4
95.08599	24.3
96.08928	0.5
103.05459	0.3
105.07024	10.6
106.07333	0.5
107.04948	9.9
107.08625	0.8
109.02872	37.9
109.06513	4.2
109.10182	0.6
110.03189	0.8
111.00784	0.7
111.04440	0.6
111.08053	0.7
111.41681	0.3
115.05437	0.4
123.04428	0.9
123.08060	21.9
123.11665	0.8
124.07586	0.5
124.08414	0.7
126.03118	1.1
127.03905	100.0
128.04237	1.7
128.95049	0.4
133.06493	3.8
133.07506	0.5
133.10117	0.7
133.14262	0.3
141.05464	2.7
141.09067	0.5
145.96733	0.4
151.07532	21.6
151.08565	1.0
151.11110	0.6
152.06979	0.4
154.10130	0.3
155.03333	1.7
163.97694	0.8
169.04904	1.1
169.08607	39.3
170.05797	1.0
170.09082	0.6
170.11755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	2.9
55.01868	9.1
55.05494	0.6
55.60908	0.3
56.05030	4.0
57.03434	0.4
67.05501	1.1
68.05009	0.7
68.05810	0.3
68.99786	0.7
69.03423	0.3
69.07067	1.6
69.61018	1.1
70.06577	1.1
71.06097	3.3
71.08623	18.7
72.04481	0.4
79.05482	0.8
81.03410	0.5
81.04520	0.7
81.07053	2.1
82.02932	100.0
82.07384	1.1
83.03264	0.9
84.04498	2.8
85.02889	0.6
86.09699	5.5
88.11258	38.3
89.11594	0.4
91.05468	0.9
92.05798	1.1
95.04965	0.7
95.06096	0.9
95.08598	0.7
96.04475	2.9
99.05563	4.5
109.02853	0.9
109.06484	0.5
110.06048	0.4
111.00788	6.3
111.04406	0.3
116.68867	0.3
123.04414	0.7
123.08059	0.5
124.07686	0.3
124.11279	1.5
124.12003	0.4
126.03117	7.7
128.95064	0.4
141.05444	22.0
141.13853	7.2
142.05881	0.3
146.96066	0.4
151.08687	1.0
152.10641	0.5
163.97685	0.5
169.04948	8.3
169.07550	1.4
169.09871	0.4
169.13257	10.4
170.08107	0.4
170.09703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05486	0.5
56.96555	0.4
57.07068	2.3
70.06609	0.1
70.28969	0.2
72.04507	2.1
75.05733	0.1
83.08601	0.5
84.04473	0.2
86.06070	0.9
86.09692	100.0
87.10020	1.6
87.64455	0.2
89.07145	1.0
92.05005	0.3
93.05774	0.4
96.08102	0.3
98.02773	0.2
110.06026	0.3
116.10711	0.6
124.07591	0.3
127.03929	0.2
128.10696	19.5
128.95045	0.4
129.11031	0.3
142.12276	0.4
146.96115	0.7
152.07095	0.3
155.03391	0.2
169.52725	0.2
170.05942	0.2
170.08090	0.6
170.09624	0.8
170.11739	3.1
170.15179	0.2
171.14922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02374	1.3
53.03940	6.3
55.01871	5.7
55.05512	8.5
57.07062	1.0
57.19764	1.0
67.05503	3.6
69.03421	7.1
69.07067	2.1
71.04998	1.4
72.04508	25.6
76.00040	0.8
79.01848	8.7
79.05513	1.9
81.03412	67.2
81.07068	2.8
83.04990	1.7
83.08614	7.5
84.04495	1.2
85.02885	2.0
86.09715	4.0
89.07146	16.4
93.07056	1.8
95.08614	0.9
97.02891	6.9
97.06531	1.7
98.97614	1.1
100.83176	1.0
107.01312	78.4
107.08613	1.8
108.01662	1.4
109.02871	100.0
109.10136	1.9
110.03249	2.4
111.04466	2.8
111.05526	1.3
115.05441	0.9
125.02346	60.8
126.02693	1.9
127.03906	87.1
128.04205	1.3
128.06206	9.0
129.06963	1.4
135.00768	6.8
137.03430	3.3
139.03915	2.3
143.03415	3.0
143.08559	5.1
153.01814	79.4
153.06615	1.1
154.02151	1.8
156.09309	2.7
170.11784	1.6
171.02876	29.9
171.06807	1.2
171.07974	5.7
171.11714	1.6
171.14900	12.1
171.16194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0287
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02370	1.3
53.00322	0.6
53.03940	5.0
55.01865	3.1
55.05507	3.0
56.05010	1.1
57.03423	1.7
59.66171	0.7
67.05500	5.6
69.03091	1.0
69.03417	5.9
69.07057	2.0
69.53143	1.4
69.53549	2.2
69.98994	0.7
70.06577	1.0
71.04954	0.9
71.08630	1.0
72.04507	6.4
79.01839	9.7
79.05482	3.5
81.03407	71.0
81.07050	4.2
82.03757	1.1
82.07368	2.3
82.65384	0.7
83.04980	1.1
83.08587	1.5
84.04499	6.9
85.02912	0.9
86.68719	0.7
88.11251	3.2
89.07146	5.7
91.05463	1.2
93.07042	2.0
95.08635	1.1
97.02876	6.5
107.01303	79.6
107.08576	5.7
107.25053	0.9
108.01654	2.0
108.08964	0.8
109.02863	100.0
109.10133	2.2
110.03160	1.6
111.04443	3.0
111.08050	1.0
113.02341	0.9
125.02338	59.4
125.09625	2.5
127.03900	78.2
128.04210	1.5
128.06181	1.0
135.00746	10.2
137.03433	3.2
139.03873	1.2
143.03372	2.2
143.08553	1.4
153.01810	76.9
153.09088	2.4
154.02216	1.4
156.09283	1.9
171.02869	24.5
171.07870	1.3
171.10138	1.8
171.11584	1.4
171.14941	2.3
178.35950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.7
51.60715	0.7
53.00309	0.7
53.03943	6.8
55.01869	5.0
55.05507	4.6
56.05048	0.7
57.03433	2.6
58.57359	0.7
59.04989	0.9
65.03934	2.9
67.05496	8.3
68.99777	1.2
69.03419	6.4
69.07057	1.5
69.58028	2.3
70.94230	0.7
72.04508	9.8
72.08150	1.0
79.01846	10.0
79.05476	5.5
81.03408	77.5
81.07034	4.9
82.03734	1.4
83.04975	6.9
83.08613	2.0
84.04494	4.6
86.09693	0.7
88.11257	1.6
89.07150	7.1
91.05492	1.0
93.03419	0.9
93.07026	2.0
95.04953	1.2
96.02101	1.7
97.02891	6.9
97.06529	5.1
98.22820	1.7
98.23390	1.2
101.06007	7.3
107.01307	82.9
107.08581	10.8
108.01600	0.9
109.02866	100.0
109.10136	2.2
110.03185	1.4
111.04427	8.1
111.08062	2.3
113.02384	0.7
116.98615	0.9
125.02339	65.8
125.09619	1.6
126.02692	1.3
127.03902	85.2
128.04251	2.0
135.00752	9.8
137.03470	2.8
139.03883	4.3
143.03377	3.0
143.07013	7.0
153.01808	87.3
153.09068	2.8
154.02109	1.9
171.02863	25.8
171.06323	1.1
171.10112	2.7
171.14893	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	[1S-(1alpha,2beta,5alpha)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol
Peak:m/z	Relative Intensity
50.30440	1.6
55.05255	2.2
55.05506	23.9
57.07079	3.3
61.02938	2.7
67.05502	4.1
69.07063	7.0
69.14076	5.3
69.14482	3.6
69.87952	1.5
71.04981	2.1
71.08627	49.3
72.04513	100.0
73.04833	1.5
79.05500	3.7
81.07041	11.5
83.08620	25.4
85.06529	2.4
89.07150	69.8
93.07047	5.7
95.08606	6.9
95.86650	1.4
97.06531	6.7
99.08099	31.5
101.06012	7.3
107.08582	6.1
109.10159	7.0
111.05550	1.6
111.08067	7.9
122.81510	1.5
129.06979	1.9
131.00508	1.4
134.82916	1.4
135.11714	2.9
142.15143	1.8
143.08556	2.8
153.12744	4.0
156.09364	4.7
164.84554	1.5
171.11670	4.7
171.13774	69.3
171.14973	41.7
172.11235	1.9
172.14087	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03928	1.3
55.05503	21.3
59.04997	3.7
65.03945	1.1
67.05490	4.7
69.03421	1.0
69.07051	1.2
70.95856	1.1
71.89137	0.5
72.93778	1.8
76.02219	0.6
79.05476	3.0
81.07040	4.3
83.04968	20.1
85.02858	0.7
85.06528	0.8
87.04433	1.7
89.02352	1.7
90.94802	1.7
91.05464	11.0
93.07013	1.9
95.04948	0.8
95.08580	3.0
97.02868	1.1
97.06490	2.3
98.98475	1.3
99.04432	1.3
101.06008	16.0
103.03259	0.9
105.07008	11.7
109.10160	1.4
111.04425	22.3
111.98425	0.7
113.02297	0.9
113.05982	2.7
115.05421	2.4
116.06207	3.2
117.06999	7.5
117.79913	0.6
119.08565	17.6
120.08881	0.7
127.07550	2.9
128.06212	2.2
129.05476	6.8
129.06972	11.8
129.99364	0.7
130.07811	3.9
131.08546	64.0
132.08852	1.3
132.95799	1.2
133.10126	3.1
137.05992	0.7
137.09596	1.2
142.07704	1.0
143.08543	26.3
144.09337	8.3
145.06483	1.4
145.10101	33.9
146.10454	1.2
150.96829	1.9
155.07002	13.1
155.08392	1.0
156.09297	1.2
156.13832	1.6
157.10071	1.6
158.07283	1.5
158.10884	31.5
159.11227	0.9
171.11658	2.5
173.05867	0.8
173.08105	20.2
173.13232	100.0
174.13676	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05267	0.9
55.05510	14.6
59.04994	2.4
67.05486	3.1
69.07059	1.4
69.31474	4.4
69.89348	0.8
70.84239	0.9
71.26147	0.9
79.05471	2.1
81.07030	4.1
83.04971	15.5
87.04456	1.5
89.02360	1.3
91.05477	11.4
95.08619	1.1
97.92854	1.0
101.06026	12.2
103.03257	1.0
103.05475	1.6
105.07028	14.5
107.80442	0.9
111.04425	18.1
113.05996	1.3
115.05450	3.7
116.06230	3.4
117.07016	9.3
119.08569	14.2
120.06071	0.9
127.07540	2.6
128.06186	2.9
129.05460	3.4
129.07013	11.6
130.07782	4.7
131.08556	80.6
132.08887	1.4
133.10136	2.7
137.66913	0.9
142.07726	1.1
143.08545	23.3
144.09348	8.1
145.06433	3.1
145.08958	2.0
145.10114	37.8
147.06505	0.9
147.43214	0.9
155.05983	1.3
155.07019	9.7
155.08499	2.7
156.09360	1.4
157.10074	1.5
158.07300	7.4
158.10899	35.8
159.11240	1.3
171.11659	2.2
173.05879	2.9
173.08122	13.6
173.09624	14.2
173.13246	100.0
174.06769	3.6
174.13509	2.8
175.27625	0.9
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
51.28536	0.5
55.05505	13.2
56.37775	0.5
59.04995	3.7
67.05481	2.2
69.08868	4.0
72.93767	4.1
76.02199	0.7
83.04974	14.9
87.04446	0.9
89.02398	1.0
90.90376	0.8
90.94811	3.2
91.05475	6.6
95.06096	0.9
98.22636	1.2
99.04466	1.2
101.06002	10.2
103.03276	1.2
105.07010	7.3
108.95847	1.1
111.04430	15.3
113.05975	1.6
115.05444	3.5
116.06252	1.1
117.07007	5.8
119.08574	14.0
122.60790	0.7
127.07546	2.4
128.06201	1.6
129.05492	5.6
129.06987	5.9
130.07802	3.0
131.08556	28.1
132.06580	0.7
133.10109	2.8
137.05989	0.7
137.07092	0.7
142.07664	0.7
143.07411	1.2
143.08545	22.2
144.09334	5.4
145.06499	3.2
145.10114	22.9
146.10400	1.0
147.70131	0.7
149.96077	0.9
150.96828	1.0
155.05853	1.0
155.07030	11.1
155.08327	1.3
156.09355	2.0
157.10072	1.1
158.07306	4.2
158.10904	36.2
159.11299	1.1
167.97142	1.5
171.11697	2.2
173.05727	1.2
173.08113	11.7
173.09604	43.8
173.13240	100.0
174.09998	1.3
174.13699	3.7
174.18442	0.7
192.99199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03951	0.7
54.22409	0.5
55.05510	12.2
59.04992	2.3
67.05499	4.0
67.27121	0.4
69.03416	0.7
69.07061	0.9
69.54074	2.2
69.54430	1.0
72.93786	1.8
75.48505	0.6
79.05479	1.6
81.07057	3.5
83.04974	11.4
85.02917	0.5
87.04482	1.2
88.65388	0.5
90.94800	0.6
91.05469	10.9
91.80489	0.7
93.07018	1.6
95.08614	1.5
99.04459	1.0
101.06012	7.8
103.03246	1.0
103.05461	0.7
105.07018	10.0
109.10136	1.4
111.04436	14.5
113.06054	1.2
115.05484	2.6
116.06234	2.6
116.30210	0.6
117.07017	6.4
119.07734	1.1
119.08573	16.0
127.07524	1.9
128.06189	1.7
129.05496	4.0
129.06979	10.3
130.07793	3.0
131.08554	75.4
132.08891	2.0
132.95827	0.6
133.10109	2.4
137.09563	0.6
142.07755	1.1
143.08551	24.1
144.09351	8.4
145.06429	1.5
145.10112	32.9
146.10440	1.0
150.09222	0.6
150.96950	0.6
155.06001	0.9
155.07030	7.1
156.09315	1.4
157.10120	1.3
158.10899	34.6
159.11234	1.1
171.11665	2.3
173.08104	9.8
173.09618	1.8
173.13243	100.0
174.13635	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	174.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65656	0.6
53.03955	0.7
55.05503	0.7
56.96559	87.0
57.03428	2.3
57.04557	0.8
60.04512	0.8
60.05642	12.3
60.95855	1.0
61.02908	0.8
67.08803	0.5
68.05024	0.7
69.03411	2.7
69.07073	0.8
69.47416	0.6
70.06584	61.3
70.86272	0.7
70.98103	3.4
71.04976	2.4
71.06116	1.0
72.08141	2.4
73.02905	3.0
74.97598	2.6
81.03414	1.4
82.99838	1.5
83.04956	0.7
84.04500	0.6
84.08131	4.3
85.01396	2.5
85.02885	3.5
86.09698	1.1
87.04460	2.0
88.07623	0.8
88.99156	1.4
89.00829	0.7
89.06079	0.7
89.14429	0.7
97.02879	3.0
98.06045	1.2
98.09679	1.1
98.97578	10.1
98.98458	27.8
99.04424	0.6
100.07590	0.7
101.00869	14.3
102.00922	1.0
102.96878	0.8
103.00614	1.1
103.02439	9.0
103.04034	0.6
105.07050	0.5
107.00154	1.0
110.01345	0.8
110.09689	0.7
110.97559	24.0
111.04433	0.5
111.53606	0.7
112.07597	12.1
112.08365	0.7
112.08743	1.4
115.02415	2.1
115.08674	0.8
116.07084	13.2
116.97277	0.7
116.98608	6.9
119.01904	69.5
119.08576	1.3
120.01993	4.8
120.12719	0.7
120.97852	0.8
121.01627	4.3
121.03431	4.7
127.02444	0.6
128.10699	1.6
128.98595	32.3
130.08615	2.5
130.09744	5.6
131.00105	0.7
131.01884	1.8
132.02098	4.0
132.97935	0.6
133.01709	1.1
133.03448	21.6
133.05083	0.8
134.99641	5.1
137.02939	24.1
138.03094	1.5
138.97069	0.6
138.98979	0.8
139.02614	0.6
140.07109	0.6
142.03540	1.2
143.01886	2.1
143.03610	0.8
145.01691	1.3
145.03436	7.3
146.99631	29.2
147.04286	0.6
150.99055	1.3
151.04501	9.6
154.04733	0.8
156.10077	0.7
156.98062	8.1
157.03410	1.4
158.09247	2.5
161.01511	0.9
161.02939	6.6
161.04596	1.1
163.02734	2.5
163.04437	3.4
165.00673	4.5
172.61809	0.6
173.02931	1.0
174.04442	0.6
174.11115	1.1
174.12494	2.4
174.14931	2.2
174.99130	73.1
175.04503	34.1
175.06052	1.1
175.11916	7.7
176.01030	1.1
176.04617	1.5
178.98631	0.7
179.04004	3.4
179.05479	0.7
186.04382	1.1
193.00185	100.0
194.00546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.97308	0.2
55.05486	0.3
60.05639	3.9
65.03908	0.4
68.53498	0.2
69.07044	0.7
69.71187	0.5
69.71561	0.8
70.06584	11.1
72.08147	0.4
78.68581	0.2
79.05488	0.4
81.07053	0.7
89.03902	0.4
91.05474	4.3
93.07040	0.3
95.04953	0.3
95.08630	0.3
96.46259	0.3
98.22963	0.8
98.98454	12.0
101.39737	0.3
103.05443	0.6
104.06223	1.3
105.03385	0.8
105.07014	2.3
107.08561	0.3
110.35866	0.3
112.08751	0.4
113.85960	0.3
115.05442	43.0
116.06214	3.2
116.07087	3.0
116.99467	0.3
117.06164	0.5
117.07005	9.8
118.07307	0.3
119.04897	0.8
119.08568	4.8
128.06209	2.3
129.07007	4.1
130.09743	1.1
131.04912	3.7
131.08456	0.2
132.05695	8.9
133.10124	2.7
142.04219	0.6
143.04906	8.7
144.05688	11.3
145.06511	1.6
145.10214	0.3
147.04369	0.4
147.08040	5.4
147.11661	0.5
155.06052	1.4
157.06432	0.3
158.09238	0.7
159.04375	0.5
160.05179	77.1
161.05579	2.1
173.04895	0.2
175.07523	100.0
175.14769	2.6
176.07906	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.78332	0.3
55.05503	0.7
60.05643	3.3
63.02354	0.3
67.39940	0.3
69.07057	0.9
69.59933	0.5
70.06586	8.2
72.08133	0.3
79.05470	0.4
81.07035	0.7
83.08671	0.3
90.04702	0.3
91.05477	3.2
93.07032	0.4
95.08585	0.4
98.22752	0.7
98.23364	0.7
98.98460	9.5
103.05434	0.8
104.06246	1.3
105.03394	0.6
105.07032	2.9
107.08564	0.6
115.05445	52.4
116.06217	2.4
116.07097	2.1
117.07011	10.5
118.04189	0.4
118.07307	0.4
118.34911	0.3
119.04943	0.5
119.08560	5.5
128.06197	2.4
129.06984	4.6
130.09760	1.1
131.04909	2.9
131.08568	0.4
132.05696	9.1
133.10104	3.6
142.04115	0.8
143.04912	10.0
143.06041	0.5
144.05690	13.4
145.06522	2.6
146.07208	0.3
147.08037	5.2
147.11697	0.7
148.52330	0.3
152.14653	0.3
155.06018	1.7
157.10153	0.5
158.07214	0.4
158.09222	0.7
159.04372	0.7
160.05180	85.9
161.05602	2.9
165.63867	0.3
175.07524	100.0
175.14767	4.1
176.07881	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	175.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	2.1
69.25327	1.7
69.25735	1.1
70.06586	7.6
76.20798	0.5
84.21151	0.5
88.54757	0.5
91.05477	2.5
92.99728	0.5
98.98461	6.3
102.58356	0.5
104.06218	1.1
105.03400	0.6
105.07027	0.8
109.20750	0.5
115.05449	38.9
116.06218	1.7
116.07085	2.4
117.07020	7.8
118.34866	0.5
119.08577	3.2
128.06223	1.9
129.07005	3.1
130.09717	0.6
131.04918	2.2
131.08540	0.7
132.05707	7.0
133.10121	1.6
142.04111	0.8
143.04910	10.1
144.05692	10.7
145.06435	1.4
147.08011	4.2
155.05981	1.1
157.06503	0.6
160.05183	70.8
161.05611	2.1
163.01463	0.5
175.07529	100.0
175.11824	1.8
175.14835	2.1
176.07851	3.5
193.92381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08950	0.3
54.49931	0.3
59.28381	0.3
60.05646	35.0
69.67800	1.2
69.68147	0.6
70.06588	100.0
71.04985	1.7
71.06921	1.1
72.08157	3.9
79.36563	0.3
88.07637	0.5
90.59466	0.3
97.07619	0.4
98.23246	0.8
98.98450	0.3
112.08724	4.0
113.07120	0.3
114.10279	0.9
116.07087	25.7
130.09756	11.7
141.06587	0.3
157.10841	1.1
158.09254	7.1
175.11900	19.3
176.68730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
51.00511	0.3
51.23941	0.3
60.05643	33.0
70.06586	100.0
70.09211	0.4
70.09541	0.5
71.04999	1.8
71.06925	1.4
72.08154	4.1
88.07651	0.3
90.85269	0.3
97.07624	0.4
112.07663	0.6
112.08716	4.5
112.25535	0.3
114.10311	0.6
115.08684	0.8
116.07085	22.5
117.07387	0.4
130.09756	12.1
142.59943	0.3
157.10854	1.1
158.09245	6.8
175.11888	17.8
191.88695	0.3
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
55.05505	9.8
57.07071	4.4
58.07386	1.1
60.52825	0.8
62.06073	2.3
67.05491	3.2
69.07063	19.7
69.29091	4.5
71.08620	1.7
79.05477	3.9
81.06631	0.9
81.07053	12.3
83.08614	2.6
91.05467	15.2
93.07036	6.0
93.42724	0.8
95.08599	8.9
98.98463	11.7
101.72007	0.7
103.05426	1.6
105.07021	36.2
107.08587	8.3
115.05447	7.6
115.74699	0.8
117.06983	5.6
117.56408	0.8
118.07768	1.1
119.08568	95.9
120.08844	0.9
121.10110	3.6
128.06152	0.8
129.06958	1.5
131.08542	6.5
132.05663	2.2
132.09366	1.0
133.10114	94.0
134.10574	1.8
143.04874	1.1
144.05696	1.0
145.06491	0.9
145.10100	7.5
145.94496	0.7
146.10878	2.2
147.08043	2.4
147.11665	14.0
157.10068	1.3
157.17725	1.3
160.05176	10.7
160.12466	3.6
173.13260	1.9
174.18536	3.1
175.07541	18.5
175.11316	7.0
175.14804	100.0
175.18849	14.4
176.15112	2.9
190.37782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.58833	0.5
53.03938	0.9
55.05504	9.0
57.07071	1.0
60.05640	29.9
67.05499	1.7
69.07060	25.6
70.06583	81.0
70.79884	0.9
71.04995	1.5
71.06912	0.9
72.08153	3.5
79.05486	3.3
81.07062	5.6
83.04971	1.7
83.08604	4.1
91.05464	13.2
91.05980	1.0
93.07021	3.8
95.08582	6.4
98.98453	53.3
103.05427	1.1
104.06257	1.4
105.07014	28.5
107.08595	5.7
112.08702	3.0
115.05441	3.7
116.07072	20.0
116.97219	2.5
116.98643	0.6
116.99438	1.2
117.06976	5.1
118.85144	0.6
119.08563	100.0
120.08804	0.6
121.10136	3.7
129.06976	1.8
130.06546	0.7
130.09749	9.3
131.04895	1.3
131.08551	5.1
132.05707	2.5
132.09273	0.6
133.10110	79.7
134.10495	1.8
135.11668	0.8
145.10103	8.4
146.10875	1.6
147.04466	0.9
147.08009	4.5
147.11664	12.0
152.96901	1.7
158.09229	5.9
159.11681	1.0
160.05188	3.5
160.12444	4.5
173.13222	3.4
175.05109	0.7
175.07440	8.9
175.08662	1.5
175.11974	15.8
175.14795	98.5
175.98543	0.7
176.15155	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	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05654	6.4
65.93543	1.0
70.06588	16.1
71.43517	1.2
73.02901	1.6
75.78603	1.1
81.03435	1.1
95.15400	1.0
98.97594	6.5
116.07096	4.8
116.98610	3.1
117.17574	1.1
119.01845	1.3
130.09744	1.4
132.02100	100.0
133.02420	1.5
175.11897	2.1
176.01080	18.7
177.10771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
60.04512	3.0
61.29282	0.5
67.05505	0.6
68.05024	0.6
69.07059	1.4
69.73392	1.6
70.06583	93.5
71.04984	100.0
71.06924	1.2
72.05321	1.3
79.05499	1.1
81.03400	0.6
81.07053	0.7
82.07400	0.6
88.07618	47.5
89.03906	2.6
89.07965	0.6
91.05459	2.5
91.28847	0.5
92.05820	0.7
93.07025	1.5
94.07444	0.4
95.04980	0.7
95.08581	1.0
98.06043	1.5
98.97533	0.7
98.98457	3.7
99.04443	3.4
103.05449	0.5
105.07032	1.7
106.07375	2.0
107.08609	1.8
112.07604	1.1
116.07072	3.1
116.97213	1.2
116.98647	1.1
117.03360	4.5
117.05484	7.3
117.07050	0.6
118.06509	0.9
119.08557	2.5
120.08886	4.8
121.06498	0.8
121.10220	1.0
130.06580	3.2
130.08626	50.6
131.08751	0.9
132.08899	1.0
133.10135	1.9
134.03583	0.7
134.08115	26.5
134.10393	4.5
134.99715	0.4
135.04428	0.5
145.02821	5.6
146.10515	0.5
148.12038	1.0
149.05946	2.2
149.09636	0.6
149.13274	0.5
151.81815	0.5
158.05968	1.1
159.11639	0.4
161.05493	0.7
162.03162	0.5
162.06721	0.8
166.86313	0.5
176.08035	0.7
176.09238	2.0
176.11594	0.6
176.15155	7.1
177.05435	2.8
177.09065	5.3
177.12640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	25.5
65.21664	0.5
67.52530	0.5
69.88427	1.3
71.95252	0.9
92.48715	0.4
98.23286	0.9
98.97573	100.0
99.97935	0.9
101.77677	0.5
109.34914	0.5
116.98608	65.1
117.98957	0.8
118.33179	0.4
118.92074	1.4
119.01895	0.7
121.01629	0.7
131.01933	1.4
134.99651	26.2
135.03156	1.3
136.92172	1.0
136.93097	3.4
153.00679	2.6
154.03503	0.8
154.93147	2.3
154.94188	5.6
172.94263	6.5
172.95340	4.4
177.00818	1.8
177.04175	0.9
190.95123	5.7
195.01729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
56.96563	0.5
62.01601	0.3
62.58580	0.2
63.02382	1.1
69.92243	0.4
77.03904	0.3
78.04708	3.2
79.05485	0.6
89.03909	42.9
90.04253	1.0
91.05473	3.5
93.07043	0.7
94.15484	0.2
95.04961	1.1
98.98469	3.3
103.05444	1.5
105.03368	0.6
105.04500	0.4
106.04162	3.3
117.03368	76.3
118.03675	1.5
119.04913	0.7
121.06490	1.0
124.05206	1.4
129.04465	0.7
134.03613	8.9
135.04414	6.0
145.02832	100.0
146.03159	2.4
147.04333	0.4
149.05963	23.5
150.06322	0.9
158.06041	1.3
162.03105	1.0
162.39954	0.3
163.03900	1.9
177.05450	23.8
177.10278	0.8
178.05917	0.4
186.05507	3.3
190.95198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.00288	0.4
55.35862	0.4
56.96569	0.5
63.02378	2.1
65.53210	0.5
70.24284	1.0
78.04704	4.1
79.05485	0.7
89.03912	53.8
90.04250	1.1
91.05466	3.1
91.21679	0.4
93.07045	1.0
95.04953	0.8
98.98457	2.4
103.05447	1.6
105.04521	1.3
106.04184	4.9
111.56083	0.5
117.03371	87.3
118.03706	1.8
119.04905	0.7
121.06490	1.4
124.05206	1.0
125.09482	0.4
129.04457	0.7
134.03624	12.8
135.04414	7.6
145.02840	100.0
146.03146	2.2
149.05969	28.5
150.06311	0.9
158.05997	0.6
162.03127	1.4
163.03857	3.3
177.05458	25.9
186.05455	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.19763	0.4
56.96557	0.7
63.02383	1.8
65.03920	0.8
65.30373	0.4
74.47615	0.5
78.04708	3.5
79.05483	0.7
80.04977	0.6
80.80383	0.4
88.02235	0.5
89.03905	45.7
90.04251	1.1
91.05460	3.8
91.71796	0.6
93.07061	0.6
93.87494	0.5
95.04960	1.7
98.98446	4.3
103.05453	1.9
105.03373	0.7
106.04182	2.5
109.92949	0.5
117.03363	81.2
118.03710	1.8
119.04937	1.0
121.06520	0.8
124.05226	1.1
134.03621	9.5
135.04417	5.4
135.05385	0.8
142.15202	0.6
142.70589	0.5
145.02827	100.0
146.03175	3.0
149.02318	3.1
149.05959	25.5
150.06273	1.1
158.06006	1.7
162.03101	1.2
163.03868	1.7
177.05429	25.8
177.10243	1.5
177.12637	1.1
178.05624	0.7
178.08717	0.5
186.05577	2.9
186.06970	0.6
187.54233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03936	0.3
62.01571	0.4
63.02341	1.4
65.03912	0.3
71.87508	0.2
73.22553	0.2
76.82701	0.2
78.04696	3.1
79.05480	0.4
81.43760	0.2
89.03903	47.0
90.04256	0.7
91.05461	3.0
93.07040	0.5
95.04954	1.5
98.23488	0.6
98.98454	1.4
103.05454	1.6
105.03378	0.6
105.04493	0.3
106.04156	3.8
117.03361	78.4
118.03651	1.4
119.04942	0.7
121.06493	1.0
124.05191	0.8
129.04460	0.4
134.03612	9.3
135.04411	5.5
145.02826	100.0
146.03146	2.5
149.05954	23.2
150.06316	0.6
158.06026	0.8
162.03122	1.3
163.03874	1.7
177.05440	24.7
178.05820	0.8
183.13597	0.2
186.05466	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.23106	0.2
53.00307	0.3
53.24148	0.2
56.96561	0.4
62.01549	0.3
63.02339	2.0
64.30901	0.3
64.51136	0.3
64.74203	0.2
65.03934	0.3
69.82706	0.6
70.34064	0.2
73.63279	0.2
77.03908	0.3
78.04704	3.5
78.91434	0.2
79.05473	0.6
85.63264	0.3
87.60207	0.2
88.02244	0.3
89.03904	49.4
90.04250	0.9
91.05467	3.1
93.07037	0.4
95.04939	1.1
98.22719	0.3
98.98465	1.2
103.05467	1.5
105.03378	0.6
105.04508	0.4
105.24474	0.3
106.04172	3.4
107.04976	0.3
117.03362	82.9
117.17224	0.3
118.03680	2.3
119.04920	0.8
121.06472	0.9
124.05175	1.0
129.04488	0.3
134.03615	8.7
135.04402	5.9
145.02826	100.0
146.03165	2.3
147.04337	0.5
149.05959	25.6
150.06331	0.6
158.05994	1.3
162.03114	1.0
162.56596	0.3
163.03819	1.7
177.05438	23.1
177.10233	0.6
178.05818	0.6
186.05484	3.1
187.05702	0.3
195.63847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
65.03947	0.2
67.05491	0.2
69.03429	0.3
77.03913	0.3
78.04704	0.7
79.05488	0.8
80.05005	0.2
81.07028	0.3
82.80502	0.2
89.03913	0.4
91.05474	4.8
93.07046	1.1
95.04951	0.6
95.08604	0.2
98.22812	0.2
98.23346	0.2
98.98466	2.5
103.05457	0.7
105.03361	0.2
105.07031	1.4
106.04170	1.8
106.07800	0.6
107.04971	0.2
107.08605	0.5
109.06519	0.3
115.05443	4.4
116.05464	0.2
116.06238	3.6
117.03368	0.5
117.07016	12.4
118.07352	0.3
119.04946	1.3
119.08592	0.4
121.06499	2.8
121.10127	0.8
131.04886	0.2
131.08571	0.6
133.06479	3.5
134.03665	0.2
134.07275	3.5
135.08072	1.7
144.05692	2.3
145.02817	0.6
145.06483	2.5
146.07214	0.3
147.04369	0.8
147.07997	0.5
148.05118	0.3
149.02367	0.3
149.05962	1.6
149.09593	1.1
159.08023	0.6
159.09200	0.2
161.05962	1.5
162.06747	14.2
163.07082	0.3
175.07564	0.7
177.09093	100.0
178.09460	3.3
198.86414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.05491	0.2
59.47261	0.2
69.38084	0.9
74.45487	0.2
77.03943	0.2
78.04678	0.3
79.05478	0.6
83.08580	0.2
83.61076	0.1
91.05466	3.3
93.07027	0.6
95.08591	0.4
101.62392	0.2
103.05434	0.4
105.07017	0.8
106.07819	0.2
106.71755	0.2
107.08581	0.7
109.06487	0.3
115.05438	3.1
116.06229	3.2
117.07005	11.6
118.07356	0.3
119.04913	1.2
119.08559	0.2
120.05698	0.2
121.06470	1.6
121.10096	1.0
129.06992	0.2
130.04095	0.2
131.08539	0.3
133.06458	3.1
134.07257	2.9
135.08054	1.7
135.11713	0.2
136.11362	0.1
144.05682	2.0
145.02791	0.4
145.06483	1.8
146.07254	0.2
147.04352	0.7
147.08055	0.2
149.05966	0.3
149.09578	0.7
149.13095	0.2
161.05965	1.1
162.06740	12.9
163.07056	0.4
165.60661	0.2
166.13284	0.2
175.07495	0.5
176.08176	0.2
177.09084	100.0
177.16296	0.7
178.09430	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	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03936	0.3
60.37901	0.3
68.91862	0.3
69.34645	1.2
79.05479	0.4
91.05472	3.3
93.07046	0.3
103.05444	0.4
105.07015	1.1
106.07796	0.6
109.06496	0.3
115.05440	3.8
116.06242	3.3
117.07011	12.1
119.04916	1.5
121.06478	2.5
129.11928	0.3
133.06471	3.4
134.07265	4.2
135.08069	1.3
136.37738	0.3
144.05693	2.0
145.06487	1.9
147.04367	0.6
149.05960	0.4
149.09595	0.9
161.05983	1.3
162.06749	14.4
163.07083	0.4
175.07561	0.6
177.09093	100.0
178.09459	2.5
199.64832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.77357	0.3
56.96559	0.6
57.07052	0.7
65.03925	0.3
69.09261	1.9
78.04679	0.5
79.05476	0.8
81.07037	0.3
85.06533	0.4
88.02168	0.3
89.03907	1.9
91.05462	4.3
93.07026	1.0
95.04944	0.8
98.97552	1.6
98.98452	9.5
99.21202	0.3
103.05452	0.9
105.07005	0.9
106.04151	0.9
106.07804	0.4
107.04945	0.8
107.08569	0.5
115.05444	3.3
116.06236	3.5
116.98586	1.6
116.99436	0.5
117.03371	2.4
117.07001	12.6
118.96730	0.7
119.04926	1.1
119.08602	0.4
121.06487	2.0
121.10126	0.5
131.04906	0.6
131.08530	0.7
132.08061	0.3
133.06490	2.9
133.10081	0.4
134.03574	0.7
134.07257	4.3
134.99660	1.9
135.08069	1.7
135.11659	0.3
144.05676	2.0
145.02823	3.2
145.06471	2.3
146.07202	0.6
147.04410	0.8
147.08018	0.6
149.02332	1.6
149.05956	3.0
149.09586	0.6
159.04369	0.4
159.07986	0.6
161.05971	1.4
162.03116	0.7
162.06737	13.7
175.07631	0.4
177.05714	2.7
177.09074	100.0
178.09477	3.7
178.12114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0908
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.01857	0.4
55.05486	0.3
60.75691	0.3
66.66831	0.3
67.05477	0.4
69.07098	0.3
76.75930	0.2
77.03951	0.3
78.04704	0.7
79.05467	0.7
81.07024	0.4
89.03886	1.5
91.05467	6.1
91.06040	0.4
93.07039	1.3
95.04958	0.7
98.23457	0.8
98.97569	0.3
98.97770	0.3
98.98458	3.5
103.05456	1.5
105.03349	0.5
105.07017	2.3
106.04180	0.7
106.07791	0.5
107.04935	0.4
107.08580	0.6
109.06451	0.3
115.05436	4.0
116.06229	3.3
117.03370	1.3
117.07003	14.0
119.04919	1.7
119.08578	1.0
120.71770	0.3
121.06490	5.1
121.10139	0.4
129.07011	0.3
131.04831	0.5
131.08553	1.1
132.08156	0.4
133.06474	3.5
134.03596	2.0
134.07257	4.4
135.08037	2.0
144.05684	2.6
145.02806	0.6
145.06482	3.5
146.07227	2.2
147.04393	0.7
147.08017	1.0
148.05167	0.8
149.02313	0.5
149.05960	10.8
149.09576	1.3
150.06303	0.3
159.08009	0.9
161.05919	1.4
162.03096	3.3
162.06732	14.5
163.07104	0.4
175.07481	0.6
177.05568	9.6
177.09077	100.0
178.09416	3.0
189.63501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.01865	0.4
55.05494	0.2
56.96553	0.7
62.92849	0.2
65.03928	0.3
67.05476	0.4
71.06115	0.3
78.04736	0.3
79.05479	1.0
80.04992	0.3
80.71143	0.2
81.03425	0.2
81.07042	0.7
85.06547	0.3
89.03911	3.0
91.04939	0.3
91.05470	4.4
93.07034	1.3
95.04945	0.8
95.08578	0.2
98.97572	1.6
98.98446	6.1
103.05456	1.7
105.03348	0.2
105.04462	0.2
105.05169	0.2
105.07016	3.3
106.04159	0.2
106.07816	0.4
107.04248	0.3
107.04945	5.0
107.08569	0.6
107.26501	0.2
109.06468	0.2
115.05441	3.8
116.06234	3.3
116.98611	2.2
117.03368	4.8
117.07003	12.9
118.06516	0.8
118.96780	0.4
119.03423	0.2
119.04927	1.5
119.07308	1.0
119.08559	0.5
120.05689	0.4
121.02827	0.4
121.06490	1.8
121.10140	0.6
123.11629	0.2
129.07008	0.4
131.04898	1.7
131.06900	0.2
131.08533	1.2
132.08089	0.2
133.06474	5.2
133.07503	0.3
134.03609	1.1
134.07289	3.2
134.09636	6.5
134.99652	1.2
135.04393	1.0
135.08037	2.1
143.06036	0.2
144.05705	2.0
145.02834	6.5
145.06450	2.3
146.07188	0.2
147.04391	0.7
147.08044	0.5
149.02312	1.2
149.05972	4.6
149.09595	0.8
154.96507	0.2
159.04378	1.1
159.08041	0.7
159.11642	0.4
161.05948	1.6
162.03085	0.5
162.06740	13.4
163.03810	0.3
163.07094	0.4
175.07593	0.3
177.05714	4.3
177.09081	100.0
177.98015	0.2
178.09592	2.8
178.12236	10.7
195.03343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.3
57.07058	0.4
65.03913	0.4
67.05482	0.7
70.14276	0.8
71.04975	1.0
77.03902	0.3
78.04697	0.8
79.05484	1.1
80.04993	0.2
81.03417	0.4
81.07047	0.8
84.36105	0.2
89.03899	4.0
91.05470	5.4
93.07028	1.3
95.04951	1.2
95.08572	0.5
98.23420	0.3
98.97561	1.4
98.98460	8.1
103.05446	1.6
105.04486	0.4
105.07018	1.9
106.04145	1.1
106.07801	0.4
107.04958	1.4
107.08559	1.0
109.06489	0.3
115.05444	3.9
116.06233	3.2
116.98616	1.8
116.99357	0.4
117.03368	6.3
117.07011	13.2
118.06519	0.8
118.07333	0.3
118.96717	0.3
119.04930	1.5
119.07288	0.7
119.08549	0.9
121.06498	3.2
121.10142	0.7
122.68353	0.2
129.07007	0.3
131.04910	1.5
131.06888	0.3
131.08557	2.2
132.08043	0.4
133.06473	4.0
134.03633	2.3
134.07269	3.7
134.09630	3.7
134.99641	1.1
135.04396	2.0
135.08044	1.7
144.05673	2.1
145.02835	7.6
145.06473	2.3
147.04416	0.9
147.08092	0.3
149.02319	1.8
149.05965	5.7
149.09618	1.6
159.04410	0.9
159.05566	0.3
159.08014	0.9
159.11716	0.4
161.05928	1.2
162.03130	2.1
162.06746	13.2
163.07085	0.4
175.07510	0.8
177.05550	9.7
177.09085	100.0
178.09567	3.0
178.12233	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03928	1.4
55.01871	5.3
55.05490	4.8
56.96548	2.1
57.03397	1.3
61.37083	0.9
65.03929	2.9
65.18573	0.9
67.05499	17.4
69.03428	1.6
69.07072	5.2
71.05011	0.9
71.42381	1.0
75.40397	0.9
78.04694	3.6
79.05486	26.9
79.05943	1.5
80.05003	1.8
81.03407	4.0
81.06562	1.6
81.07049	31.7
82.30684	1.1
83.04958	3.8
83.08600	3.1
85.06512	1.2
89.03915	3.8
91.05471	34.5
93.07035	47.1
95.04955	15.7
95.08577	7.1
97.06516	9.8
98.98466	19.4
103.05441	3.3
105.04485	2.2
105.07017	21.8
106.04166	16.1
107.04943	3.7
107.08583	19.1
109.06499	4.1
110.36713	1.0
111.08070	2.4
115.05459	2.7
116.06210	1.7
117.03426	4.9
117.07014	21.2
118.96782	1.3
119.08546	6.1
119.17110	1.0
121.06491	11.4
121.10116	8.4
123.08097	1.4
130.07745	1.0
131.07541	1.2
131.08557	23.9
133.06477	1.9
133.10115	30.9
134.03610	4.0
135.08047	8.1
135.11694	8.9
144.09319	1.3
145.02837	6.4
145.06473	1.4
145.93999	1.0
147.04314	1.1
149.02303	2.4
149.05980	9.7
149.09622	5.9
149.13242	13.3
157.10100	1.3
159.11671	37.3
162.03114	3.4
162.06732	3.5
177.05431	14.5
177.06647	1.3
177.09055	25.1
177.12729	100.0
178.13170	2.4
194.18716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.92979	1.6
53.03926	3.1
53.48264	1.9
55.01871	4.0
55.05492	3.9
56.96555	3.5
57.03431	2.4
59.66223	2.0
65.03928	4.3
67.05500	22.4
67.97470	1.7
69.07048	5.2
69.83781	2.6
69.84103	3.8
76.35246	2.1
78.04688	2.1
79.05483	29.7
80.04976	3.2
81.03425	4.4
81.07043	30.7
83.08567	2.3
88.02209	2.2
89.03905	16.2
91.05470	38.3
93.07030	45.9
95.04963	14.1
95.08598	10.1
97.06499	8.6
98.98453	34.3
103.05462	3.3
105.04494	2.9
105.07013	18.6
106.04185	9.9
107.04930	4.8
107.08582	19.3
109.06487	4.6
111.08080	3.1
115.05379	2.0
117.03358	27.2
117.07011	19.8
119.08546	7.3
121.06508	11.3
121.10113	11.9
129.06992	2.3
129.38135	1.9
131.04948	2.0
131.08546	25.2
133.10101	29.4
134.03612	6.8
135.04362	2.3
135.08029	6.9
135.11691	8.8
144.09215	2.7
145.02834	42.1
149.02240	4.6
149.05975	13.6
149.09607	5.6
149.13245	15.4
159.09148	2.3
159.11661	39.0
160.57069	2.1
162.03076	5.3
162.06752	1.9
177.05376	18.2
177.06750	3.0
177.09059	8.7
177.10205	8.9
177.12709	100.0
178.06984	2.0
178.08514	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.44697	0.5
51.02373	0.4
53.03936	0.7
55.01862	0.5
55.05507	9.6
55.05774	0.6
56.96566	0.4
57.07067	2.0
67.05502	5.3
69.07063	25.2
74.77445	0.4
78.04713	0.9
79.05484	14.2
80.04996	0.7
81.03422	0.5
81.07050	15.3
83.08613	14.7
88.02181	0.6
89.03904	4.2
91.05467	11.9
93.07037	30.6
94.07378	0.7
95.04971	2.8
95.08599	37.3
95.12049	0.5
96.08951	0.8
97.10160	3.0
98.97556	1.2
98.98455	13.5
103.05452	1.8
105.04496	1.1
105.07021	8.9
106.04198	2.2
106.07808	0.8
107.08585	66.2
108.08920	1.5
109.06503	1.8
109.10146	13.0
115.05400	0.8
116.06237	0.7
116.98609	1.4
117.03378	5.2
117.07005	3.3
118.96750	0.8
119.04931	0.5
119.08585	2.3
119.28476	0.5
121.06536	2.6
121.10133	100.0
122.10496	1.7
123.08049	0.8
123.11736	0.7
129.07043	0.6
131.04913	1.5
131.08543	2.8
133.07542	0.9
133.10170	1.2
134.03638	2.2
134.99648	0.8
135.04382	0.8
135.08101	0.7
135.11687	14.8
145.02829	7.2
145.06432	1.1
146.03615	1.4
149.02344	2.6
149.05969	8.6
149.07097	0.6
149.09587	1.1
149.13257	6.2
159.08009	1.1
159.09236	0.7
159.11636	0.7
160.07538	1.1
162.03120	1.4
162.06671	1.3
175.14706	0.5
177.05452	6.7
177.06754	0.8
177.09045	8.8
177.10294	1.1
177.12741	1.8
177.16367	57.2
178.06195	0.7
178.08484	0.5
178.16750	2.3
184.60648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
56.22492	0.3
67.05473	0.4
70.83981	0.4
77.35176	0.4
91.05469	0.6
92.05003	0.4
93.07045	0.4
97.34312	0.3
105.07009	0.4
107.08601	0.5
115.05423	0.4
117.06998	1.2
118.06526	8.6
119.06515	0.5
119.07321	9.1
119.08167	0.5
120.07669	0.3
132.08072	0.6
134.09641	57.3
135.09996	1.0
148.52983	0.3
158.53918	0.3
160.11270	0.6
162.09140	2.1
163.09866	1.1
178.12248	100.0
179.03554	0.4
179.12611	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	178.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.5
67.05493	0.4
69.54084	0.3
70.71059	0.6
72.62193	0.3
79.05482	0.6
80.04990	0.4
88.02189	0.5
91.05476	1.5
92.05009	0.4
93.05777	0.5
95.04955	0.3
95.95203	0.3
104.04961	0.3
105.07034	1.0
106.06528	0.4
107.08572	0.5
115.05470	0.7
116.98581	0.4
117.07030	1.7
118.06532	8.3
118.96758	1.4
119.04927	1.2
119.07323	9.6
122.06007	0.3
123.04417	0.3
132.08081	0.9
133.02872	0.9
133.06564	0.3
134.09642	59.4
135.09973	1.0
137.06009	0.3
146.03174	0.4
147.04393	1.4
154.96500	0.5
158.26596	0.3
160.11211	1.2
161.05894	0.4
162.09142	2.6
163.09891	1.2
172.95377	0.4
177.83498	0.3
177.98109	0.4
178.12251	100.0
179.03426	0.9
179.06987	0.4
179.12665	2.4
190.95245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.01602	0.3
50.17696	0.2
51.02377	0.4
53.03946	0.6
55.01872	0.4
57.03428	1.1
59.79902	0.2
65.03924	0.3
67.05473	0.9
69.44241	0.4
69.44636	0.4
72.14172	0.2
77.03919	3.4
79.05489	2.1
81.07047	0.4
89.03912	4.4
90.55376	0.2
91.05479	3.1
93.07065	0.5
95.04961	3.2
95.08562	0.4
98.23480	0.3
103.05408	0.2
105.03385	15.1
105.04517	0.8
105.07011	1.4
106.86015	0.2
107.04958	1.7
107.08585	0.4
109.06508	0.4
109.10159	0.2
117.03363	2.8
119.04943	2.6
119.08572	0.6
121.06441	0.2
123.04421	16.6
123.08066	0.6
123.11639	0.2
128.06160	0.2
133.02841	39.1
133.06474	0.6
133.10083	0.9
134.03159	0.9
135.04407	8.1
137.05994	0.8
137.09610	0.2
145.03915	0.8
147.04402	4.5
151.03915	1.3
151.07584	0.5
151.11205	0.3
161.02316	2.1
161.05991	0.6
161.09605	0.2
163.56390	0.2
165.60054	0.2
178.12267	0.6
179.03375	100.0
179.10635	0.7
180.03745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68010	0.4
64.85596	0.5
66.52961	0.4
69.83643	1.5
77.52961	0.5
81.07043	0.7
82.99833	1.0
91.05460	0.9
100.02465	1.9
101.00867	21.2
115.02486	0.5
118.03562	1.2
119.01908	100.0
120.01987	4.1
130.83299	0.5
133.03471	4.4
134.03003	0.9
134.34250	0.4
137.02943	34.1
138.03052	1.4
142.03445	1.2
143.01834	0.8
151.04514	3.0
156.05083	3.1
156.97507	0.6
161.02946	22.3
162.02991	0.6
174.03030	0.7
174.06133	1.0
179.00822	1.2
179.04001	28.5
179.08168	0.8
179.10585	0.9
180.04120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03941	1.3
55.01863	4.6
55.05503	1.6
57.03425	0.6
65.03936	4.9
67.01865	0.6
67.05503	12.8
68.99787	2.3
69.03423	1.3
69.07054	1.0
77.03918	1.5
79.05486	8.8
81.03443	1.3
81.07033	4.2
83.04974	1.4
91.05473	29.1
93.03388	1.3
93.07044	4.4
95.04959	18.2
95.08597	7.4
103.05478	5.6
105.03365	2.0
105.04519	1.7
105.06359	0.9
105.07024	14.8
107.04941	2.3
107.08599	2.2
108.05735	3.2
109.02884	2.0
109.06525	3.2
109.10144	3.3
110.03635	5.9
111.04427	2.7
115.05461	1.7
118.04178	0.9
119.04933	27.9
119.08600	3.2
121.02856	3.6
121.03950	1.7
121.06491	2.9
121.10126	1.7
123.04419	100.0
123.08049	9.5
123.11703	1.3
124.04768	1.3
133.02815	0.9
133.06462	5.8
133.10109	3.9
135.08080	0.7
135.11757	0.8
136.05157	4.4
137.06003	5.0
137.09616	1.6
140.73186	0.7
146.03648	1.0
147.04393	28.0
148.04703	0.7
149.06020	0.9
151.03929	6.2
151.07529	50.7
152.07927	0.7
156.46823	0.6
161.06041	4.3
161.06979	4.1
161.09578	1.8
161.13206	1.2
164.04665	1.8
179.03487	2.1
179.07016	66.3
179.10539	2.8
179.14232	2.7
179.17804	0.6
180.07368	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
51.61668	0.7
53.00072	0.7
53.03932	1.2
55.01874	5.7
55.05503	1.9
57.03424	0.8
61.82321	0.7
62.41060	0.7
65.03930	4.5
65.63882	0.7
67.05499	13.4
68.99783	2.6
77.03948	2.4
79.05491	12.2
80.06268	1.2
81.03429	1.9
81.07059	5.2
81.25340	0.7
83.04996	0.9
85.02907	1.6
91.05475	30.5
92.05797	0.8
93.03374	1.3
93.07043	6.1
95.04958	20.4
95.08610	7.9
95.70718	0.9
103.05476	6.3
105.03368	1.0
105.04478	1.7
105.07029	17.4
107.04965	2.2
107.08578	1.7
108.05741	3.1
109.02863	2.4
109.06519	3.1
110.03653	5.9
111.04439	2.8
115.05450	1.0
118.04169	1.7
119.04931	29.2
119.08579	4.1
121.02831	3.5
121.04012	1.6
121.06493	2.9
121.10123	1.1
123.04423	100.0
123.08050	12.5
124.04773	2.3
133.06473	4.9
133.10100	3.7
135.04410	0.9
135.11726	2.1
136.05202	5.1
137.05977	4.5
137.09602	1.7
146.03615	1.4
147.04396	25.2
148.04723	0.9
149.05963	1.7
151.03909	6.4
151.07533	48.3
152.07935	1.0
161.05939	3.5
161.07121	5.2
161.09598	0.9
161.13235	4.1
164.04707	2.5
179.07024	56.6
179.10574	2.4
179.14323	3.6
180.07391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.02369	0.7
53.03943	1.5
55.01871	6.4
55.05506	1.8
57.03444	1.1
57.07073	0.7
65.03934	5.3
67.05500	12.6
68.16734	0.5
68.99772	3.7
69.03419	1.6
69.07062	2.2
70.55706	0.8
77.03936	2.7
79.05488	10.3
80.06277	0.9
81.03403	1.3
81.07052	5.5
83.04961	2.2
85.02911	0.8
91.05473	30.7
92.05823	0.7
93.03407	2.2
93.07026	4.9
95.04960	21.3
95.08605	10.6
96.05280	0.5
97.02869	0.6
103.05460	5.5
105.03392	2.0
105.04527	1.5
105.07026	20.4
107.04962	2.9
107.08620	1.8
108.05765	3.6
109.02872	2.7
109.06522	5.0
109.10153	4.0
110.03661	5.6
111.04436	2.6
115.05458	1.5
118.04192	1.7
119.04935	27.7
119.08543	4.9
120.05219	0.7
121.02849	4.5
121.03988	1.8
121.06487	3.8
121.10141	1.6
121.12607	0.6
122.03638	0.8
123.04419	100.0
123.08042	11.5
123.11685	1.9
124.04792	1.8
133.02789	1.0
133.06474	5.7
133.10110	6.2
135.04390	1.2
136.05212	5.2
137.05992	6.0
137.09630	1.7
146.03607	0.7
147.04399	26.3
148.04750	0.8
148.08769	0.7
149.06000	1.7
150.06715	1.1
151.03938	5.2
151.07529	46.2
151.37564	0.7
152.07898	1.3
161.05966	4.2
161.06978	4.1
161.09604	1.5
161.13261	1.9
164.04671	2.3
179.03645	3.0
179.07019	67.2
179.10652	2.4
179.14291	3.9
180.07416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	Pygmaein
Peak:m/z	Relative Intensity
53.03933	1.0
53.97392	0.5
55.01866	13.6
55.05501	3.0
57.03456	0.6
65.03937	0.7
67.05501	4.5
69.03419	4.1
69.07074	1.3
70.55539	0.5
70.55862	0.6
70.93329	0.5
79.05486	10.1
81.03451	0.6
81.07048	37.3
82.07394	0.8
83.04974	1.5
87.37788	0.5
91.05468	17.5
93.07036	8.3
95.04962	9.8
95.08606	3.6
97.06516	1.2
103.05439	1.1
104.24496	0.5
105.03369	1.2
105.04500	1.1
105.07018	20.0
107.04938	0.6
107.08588	5.8
109.06503	17.0
109.10137	9.2
111.04422	2.7
115.05429	1.4
117.06986	2.2
118.07821	0.7
119.04926	8.5
119.08562	6.5
120.08026	0.6
121.06500	3.5
123.04411	1.5
123.08070	1.6
123.11691	1.5
125.05989	1.8
128.06186	1.8
131.04890	0.7
131.08551	2.7
133.02841	0.8
133.06500	1.8
133.10112	18.7
135.08029	10.7
135.11749	0.6
136.05171	0.8
137.05965	100.0
137.09587	14.3
138.06384	1.8
138.09094	0.8
143.08531	3.3
146.07251	1.2
147.04387	12.7
151.07542	2.2
151.11162	2.4
161.05954	0.8
161.09602	13.8
179.03331	2.9
179.07048	3.2
179.10643	13.0
179.14272	1.2
193.25742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.57320	0.5
52.33604	0.6
53.03941	1.8
55.01865	3.2
55.05506	10.5
57.03435	8.4
57.07067	2.2
59.04995	0.8
60.44141	0.5
65.03935	1.3
67.05497	42.4
69.03426	2.3
69.07062	10.1
71.04985	4.8
71.26254	0.6
77.03909	1.0
78.04645	0.6
79.05483	35.0
81.07048	100.0
82.07386	1.2
83.04977	8.1
83.08624	4.3
85.06538	10.2
91.05473	33.2
93.07037	43.2
94.07389	0.8
95.04968	5.4
95.08597	73.2
96.08920	1.5
97.06522	17.7
97.10163	0.9
99.08089	10.0
103.05448	0.7
105.04526	1.0
105.07018	40.5
107.04955	0.6
107.08582	19.6
109.06499	6.1
109.10142	6.8
111.08068	5.9
117.07006	2.0
117.74187	0.5
119.04914	2.6
119.08568	58.3
120.08868	1.5
121.10130	17.6
123.08060	10.1
123.11725	1.1
131.08568	0.8
132.09306	0.7
133.10117	35.3
134.10463	0.8
135.11678	35.1
136.11984	0.7
137.09592	4.0
137.13271	2.6
147.04399	2.8
151.07532	0.8
151.11160	1.3
151.14767	1.1
159.11688	1.5
161.05943	1.0
161.13239	85.9
162.13573	2.5
179.06920	2.2
179.14287	91.5
180.14613	2.5
181.84747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03928	2.3
55.01857	2.1
55.05251	1.6
55.05506	19.4
57.03436	16.0
57.07077	9.3
59.04987	4.2
65.03932	3.3
67.05498	38.1
68.14714	0.9
69.03413	6.3
69.06709	2.0
69.07061	25.3
71.04984	2.9
71.08617	5.2
77.03911	3.1
79.05485	20.5
81.03399	1.3
81.07048	27.1
83.04971	41.2
83.08607	6.9
85.06514	5.8
86.53891	0.9
88.15582	1.0
91.05479	20.6
93.07037	16.4
95.04344	1.4
95.04960	25.2
95.08597	100.0
96.08961	1.4
97.10165	3.2
99.08058	1.4
103.05460	1.8
105.03382	61.8
105.04514	3.3
105.07020	20.7
107.04918	1.8
107.08580	23.9
108.05743	2.3
109.06507	23.9
109.10143	46.2
111.08051	3.1
117.07008	3.3
119.04926	10.7
119.06079	1.6
119.08562	23.2
121.06480	3.2
121.10130	25.6
122.07271	1.8
123.04430	11.1
123.08054	47.5
123.11681	6.1
131.08588	1.4
133.02873	1.4
133.06525	7.8
133.10126	15.8
135.08041	2.0
135.11678	13.7
136.05197	1.4
136.08838	1.3
137.05946	8.6
137.09592	19.8
137.13223	5.9
147.04402	20.0
151.07603	1.6
151.11172	3.3
151.14803	32.6
161.05946	4.1
161.09630	4.5
161.13252	19.5
161.94186	1.2
179.03394	1.9
179.07054	12.7
179.10735	6.4
179.14285	81.8
180.14606	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	180.9298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.1
57.03449	0.9
69.03403	0.8
73.02905	1.0
81.03429	0.8
85.02896	2.1
85.81238	0.6
88.60744	0.6
90.76400	0.6
93.54196	0.5
94.93005	100.0
97.02895	1.3
98.97575	8.4
116.98600	4.5
127.03923	0.6
130.21147	0.6
134.99663	1.9
136.94016	2.3
140.70624	0.6
182.05797	1.8
200.00415	0.7
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
53.03935	2.1
55.01873	2.0
55.05494	1.4
56.96557	8.3
57.03438	1.3
61.91361	1.0
65.03934	22.3
67.05486	4.0
68.05015	0.9
69.03417	2.6
69.07055	1.6
69.58580	3.8
70.06568	1.2
71.04964	1.6
71.95264	1.3
72.26736	0.8
77.03926	1.4
78.04688	1.7
79.05486	10.1
81.03406	7.1
81.07037	2.6
83.04971	2.0
85.02891	3.1
86.06069	0.9
89.03913	7.6
90.04664	1.8
91.05472	29.7
93.03395	30.5
93.07032	11.6
95.04962	12.9
95.08569	1.7
96.04462	2.9
98.06048	4.6
98.23426	1.7
98.97570	58.4
103.05473	6.6
105.03384	1.0
105.04495	2.9
105.07001	1.4
106.04144	1.4
107.04939	21.9
107.08581	4.4
108.05758	2.0
108.08115	1.8
109.06499	3.8
110.03654	1.3
111.04432	90.8
112.04768	1.6
114.05522	1.0
116.98607	47.6
117.03389	4.6
117.07006	0.9
118.04139	1.0
119.04929	6.7
120.05716	3.0
121.02847	1.7
121.06503	14.9
121.07378	1.7
121.10109	3.5
122.03659	1.9
123.04435	5.5
123.08014	2.1
125.05959	3.3
133.02904	0.9
134.99648	26.4
135.04404	56.0
135.08035	3.3
135.11682	2.0
136.05188	5.9
136.07536	3.2
137.05965	23.0
138.06738	5.6
139.03886	87.2
140.00211	1.4
140.04260	1.6
145.02798	3.7
145.10098	0.9
148.05167	38.4
149.02325	1.4
149.05991	6.8
151.03827	5.8
151.07494	2.5
152.07048	6.6
153.00688	3.8
153.05443	4.2
153.09192	1.1
158.01201	1.7
163.03893	30.5
163.07503	2.0
163.11176	2.1
164.07027	2.2
165.05441	2.4
166.06242	9.6
171.06490	1.2
180.13902	1.6
181.01277	1.4
181.05147	6.7
181.08566	100.0
181.12007	2.4
182.08000	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
51.02388	1.4
53.03927	4.3
54.04692	1.3
55.01858	4.4
56.96567	18.9
62.26219	1.1
64.44955	1.2
65.03934	22.3
65.49657	1.2
67.02665	1.4
67.05506	8.9
68.04999	1.4
69.03413	3.0
69.07063	1.5
70.06589	1.4
71.04980	1.3
71.41840	1.2
77.03919	4.5
79.05497	6.5
80.05011	2.2
81.03410	9.0
82.04199	8.5
83.04961	2.6
84.04507	1.6
85.02887	12.2
85.06527	1.3
86.06012	3.0
91.05473	70.2
92.05747	1.5
92.06268	2.6
93.03378	6.1
93.07036	41.1
95.04959	26.7
96.04458	3.6
97.02853	1.8
97.06505	4.5
98.06020	4.1
98.97575	100.0
99.04446	1.5
103.05457	29.1
105.04513	8.3
105.07052	1.4
106.04139	2.3
107.04953	6.7
107.08573	2.4
108.02071	4.3
109.06503	2.3
110.03656	10.2
111.04398	5.6
116.98611	98.5
117.07072	1.4
119.04935	13.5
120.05708	9.9
121.06500	54.4
121.07436	2.6
121.10116	4.1
122.05945	1.4
122.06809	1.5
123.00793	3.2
123.04408	7.4
123.08029	1.8
125.05979	8.4
131.04898	2.7
131.06030	2.2
133.02837	6.9
134.99644	70.8
135.04379	3.1
135.08002	4.6
135.09067	1.8
135.11719	1.4
136.05154	2.9
136.07527	2.5
137.05954	15.0
138.03079	5.4
138.06718	4.5
139.07527	3.1
140.00153	2.1
142.02586	2.3
147.04388	5.4
148.05183	11.2
149.02197	1.3
149.05981	17.5
151.03915	10.0
151.07506	2.4
152.07025	7.1
153.00673	9.8
153.05432	4.5
153.09061	2.4
154.08693	1.2
158.01230	4.4
163.03835	1.6
163.07501	1.7
166.06247	33.6
171.06511	12.9
181.01323	1.5
181.03284	2.8
181.04961	53.9
181.08557	90.9
181.12009	3.0
182.00999	1.6
182.08029	3.7
195.66669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	1.3
55.01875	2.0
55.05507	2.3
56.96560	5.7
57.03437	1.5
57.07070	22.3
59.04996	2.3
65.03944	2.4
67.05505	3.2
69.03422	2.4
69.07063	4.5
69.37673	3.2
70.07404	0.7
71.04987	1.1
75.04465	0.9
77.03931	1.2
78.04695	1.4
79.05489	14.0
79.75670	0.7
81.03404	9.4
81.07056	5.6
83.04970	43.9
85.02900	0.7
85.06535	1.0
86.06053	0.8
91.05466	14.2
93.03403	2.8
93.07033	16.8
93.07595	1.3
95.04955	21.1
95.08601	1.3
96.04484	1.5
97.02885	1.7
97.06519	24.4
98.06039	2.0
98.97572	41.2
103.05474	3.4
103.83934	0.8
105.04517	1.4
105.07021	5.6
106.04171	2.4
107.04910	4.1
107.08578	14.0
108.08177	0.7
109.06509	1.9
116.97774	1.5
116.98604	29.7
117.07020	2.6
119.08578	3.7
121.06501	16.0
121.10126	21.7
123.04404	1.0
123.08038	1.9
125.05975	64.8
126.06319	0.8
129.36580	0.7
130.00206	0.8
130.07773	2.3
133.10114	1.4
134.03596	1.2
134.99640	15.0
135.04379	1.5
135.08031	2.3
135.11682	7.0
136.05222	1.1
136.07600	0.9
137.05942	4.4
138.06738	1.4
140.00175	1.3
145.10103	12.7
146.44612	0.6
148.05177	5.8
148.08823	0.7
149.05966	7.6
152.07065	2.2
153.00603	1.2
153.09091	2.4
158.01202	1.1
163.03888	3.3
163.11160	100.0
164.11513	1.9
166.06186	1.0
171.06482	1.1
181.04965	3.3
181.06279	0.8
181.08592	16.3
181.12209	28.3
182.08043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	2.3
55.05514	6.5
56.96548	3.5
57.03444	1.5
59.04992	1.8
61.77478	1.1
65.03937	2.1
67.05502	8.6
67.74487	1.4
69.03426	12.8
69.07056	6.0
69.77995	2.5
71.04984	3.7
75.25281	1.2
77.03903	1.5
79.05486	27.0
81.03423	2.2
81.07046	6.4
83.04985	11.2
83.08623	10.3
91.05481	7.0
93.07035	18.0
95.04946	9.7
95.08601	12.4
97.02888	6.4
97.06522	26.9
98.97574	39.4
105.04505	1.6
105.07036	9.1
107.04956	4.0
107.08580	22.9
109.06451	1.7
109.10153	4.1
111.03685	1.6
111.04440	4.9
111.08054	4.3
112.68475	1.2
114.11702	1.3
116.98614	23.1
118.54381	1.2
119.08564	6.0
121.06504	4.3
121.10136	59.5
123.08057	100.0
124.08388	1.9
125.05972	3.6
134.99680	8.1
135.11684	11.0
135.96672	1.2
136.07576	8.2
137.05945	4.5
137.09601	6.7
145.10115	8.2
147.73680	1.1
149.05966	1.7
152.07092	2.1
163.11201	10.2
164.07068	3.1
170.49988	1.1
181.04872	1.5
181.08528	3.0
181.12192	9.4
185.99847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03944	0.8
55.01865	1.2
55.05523	2.3
57.03465	0.8
57.07072	20.0
59.04992	1.3
59.74353	0.5
67.05511	1.6
69.03439	0.7
69.07070	3.1
69.49804	2.6
76.86578	0.6
79.05484	6.6
79.05885	0.7
81.03417	4.4
81.07043	3.8
83.04978	35.5
84.05327	0.6
89.50014	0.7
91.05503	2.6
93.07052	6.5
95.04964	14.8
95.05522	1.0
95.08627	1.0
97.06527	20.0
98.97572	3.4
105.07010	4.6
107.04961	1.6
107.08591	8.5
109.06555	0.9
116.98602	3.1
117.07027	1.4
119.08574	3.8
121.06522	2.5
121.10136	11.8
123.08054	0.7
125.05986	59.5
126.06325	1.3
130.07799	1.7
134.25931	0.6
134.26981	0.7
134.99641	1.5
135.08063	0.7
135.11684	6.3
145.10129	9.6
158.54544	0.8
163.11176	100.0
164.11517	3.0
164.24716	0.7
179.67683	0.6
181.12221	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03948	0.7
55.01869	1.1
55.05512	2.2
57.03428	0.5
57.07072	20.1
59.05003	2.1
67.05502	1.3
67.13037	0.3
69.03424	1.3
69.07061	3.6
71.04983	0.4
77.03913	0.5
79.05483	7.2
81.03410	6.0
81.07049	3.4
83.04975	42.7
85.06544	0.7
91.05473	3.2
93.07031	6.2
95.04356	0.7
95.04964	13.6
95.08610	0.6
97.06522	21.4
98.23473	0.7
98.97544	2.2
101.34752	0.4
105.07024	5.6
107.04962	1.9
107.08585	9.6
109.06519	0.8
109.10131	0.5
116.98610	1.8
117.06992	2.5
119.08580	3.4
121.06515	2.3
121.10139	12.2
123.08073	0.5
125.05980	60.1
126.06322	1.5
130.07774	1.5
133.10095	0.5
134.99652	1.0
135.08044	0.5
135.11690	5.2
143.08524	0.7
145.10115	10.6
146.10486	0.5
163.11165	100.0
164.11542	2.8
181.12215	29.4
182.12579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
54.21381	0.7
55.01864	1.4
55.05518	2.2
56.87362	0.6
56.96560	0.9
57.07071	22.3
59.05001	3.5
64.65302	0.6
67.05489	1.1
69.03429	1.8
69.07062	3.4
69.10798	4.7
74.23251	0.7
79.05493	9.9
81.03407	6.2
81.07067	2.9
83.04974	50.3
84.07151	0.7
84.60514	0.7
85.06553	0.7
91.05475	3.8
93.07035	7.9
95.04962	15.9
95.08640	1.0
97.06525	27.6
98.23415	1.8
98.97584	3.3
103.05543	0.7
105.07022	6.1
107.04971	2.2
107.08589	10.6
109.06531	0.9
116.58313	0.7
116.98618	3.8
117.07039	2.2
119.08572	4.4
121.06522	3.9
121.10139	14.1
125.05980	58.7
130.07805	1.6
134.99623	2.5
135.08098	1.0
135.11671	5.5
143.08546	1.1
145.10115	11.2
146.89543	0.7
163.11168	100.0
164.11526	3.7
171.46701	0.7
181.12216	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03939	0.9
55.01889	1.3
55.05514	2.4
57.07073	19.0
58.76165	0.7
59.05004	2.1
67.05492	1.4
69.07072	3.0
70.82580	0.9
72.07709	0.7
73.76250	0.8
74.57896	0.8
79.05494	7.1
81.03410	6.2
81.07041	3.9
83.04977	40.3
91.05478	3.0
93.07045	6.8
95.04961	15.3
97.06525	20.8
98.06097	0.7
98.06875	0.9
98.97602	1.6
105.07028	5.5
107.04954	1.9
107.08596	10.4
116.98607	1.3
117.07030	2.0
119.08618	3.5
121.06490	3.1
121.10138	13.3
125.05982	54.6
126.06293	1.3
130.07758	2.0
133.10078	1.0
134.99666	2.0
135.11711	5.1
145.10100	10.1
152.06963	1.1
163.11168	100.0
164.11514	1.6
181.12210	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03933	0.8
54.11529	0.2
65.03921	0.3
65.53596	0.2
67.05505	0.6
70.40865	0.4
77.03904	1.6
78.04689	0.2
79.05470	0.9
80.05028	0.3
81.03406	0.8
81.07050	0.5
85.02922	0.2
86.06075	0.2
91.05468	4.1
92.05799	0.2
93.05768	0.6
93.07031	3.4
94.06570	0.4
95.04958	2.5
96.04510	0.3
98.06049	0.4
98.22807	0.2
98.97573	0.2
98.98440	0.2
102.85325	0.2
105.04518	0.7
108.04467	0.7
108.08122	2.2
108.85258	0.2
122.06030	2.1
124.07567	0.2
126.05527	1.6
136.07562	100.0
137.07890	2.2
140.07048	2.5
152.07031	0.5
154.17902	0.2
164.07047	51.3
165.07379	1.3
174.52235	0.2
182.08125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
52.25208	0.9
53.03932	4.7
53.59729	0.9
55.01854	1.7
55.05503	6.6
58.02943	2.3
58.35984	1.1
65.03931	6.0
65.32624	0.9
67.00270	1.1
67.05164	1.9
67.05500	22.5
68.05011	4.0
69.03415	4.2
69.07050	4.8
69.25058	2.3
69.25427	5.9
70.02937	1.6
70.06580	4.7
71.04978	1.6
77.03931	2.2
79.05043	2.0
79.05485	29.3
80.04995	3.8
81.03412	21.5
81.07053	39.0
83.04947	2.0
83.08590	1.5
84.04494	4.1
84.08120	1.8
85.02909	6.0
86.02428	6.1
86.06055	6.0
91.05479	6.9
92.04985	1.4
93.05778	8.0
93.07018	2.8
94.06549	1.9
95.04954	27.6
95.08640	1.5
96.04478	10.6
96.08112	2.6
97.02885	2.7
97.06518	8.8
98.06039	13.0
98.09682	3.1
98.97563	3.6
98.98444	5.7
99.97913	1.6
105.04515	3.0
105.07014	3.5
106.06565	1.5
107.07308	3.9
107.08621	1.0
108.04498	2.7
108.08110	56.4
109.02814	0.9
109.06508	8.4
110.06036	5.3
116.98611	3.4
117.98949	1.7
118.06516	3.6
119.08536	1.4
119.25377	1.1
121.05222	3.8
122.03618	1.2
122.06009	4.4
122.06793	1.3
122.10404	1.6
123.04419	16.1
123.08051	1.0
124.07574	5.2
125.05104	2.0
125.05978	26.3
126.05502	30.8
126.09155	15.6
127.01508	0.9
127.07513	2.1
133.06427	1.4
134.99634	1.7
135.99899	1.1
136.07559	92.2
137.05957	6.7
137.07884	1.2
138.05434	3.3
138.09119	1.0
140.04657	7.2
140.10686	1.1
141.05441	1.5
146.03130	1.1
152.07053	24.2
153.05441	1.2
153.07739	3.0
154.07430	2.2
154.08612	29.5
155.07002	3.4
164.04199	4.2
164.07045	84.2
166.98547	1.3
182.08104	100.0
183.08374	1.3
198.21461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05495	0.2
65.03953	0.5
65.91515	0.2
67.05519	0.5
68.05022	0.2
69.03428	0.5
70.60800	0.4
77.03900	1.4
79.05483	1.1
80.05033	0.3
81.03408	2.0
81.07050	0.6
83.04984	0.2
84.04521	0.2
84.56120	0.2
85.02880	0.3
86.06055	0.9
91.05470	4.2
93.05769	0.9
93.07035	3.4
94.06573	0.4
95.04961	3.2
95.08603	0.3
96.04488	0.5
96.05305	0.2
97.06513	0.5
98.06068	1.0
98.97579	0.3
98.98462	0.5
99.08064	0.3
99.97948	0.3
105.04501	1.3
108.04462	0.7
108.08117	2.7
116.98636	0.4
122.06030	1.3
122.10387	0.4
124.07571	0.3
126.05510	1.6
126.06345	0.3
126.21102	0.2
136.07562	100.0
137.07930	2.1
140.07042	2.7
152.07019	1.5
154.08592	0.4
164.07047	49.2
165.07361	1.0
171.81189	0.2
182.08099	1.4
184.38498	0.2
200.02802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
50.19459	0.9
54.51904	0.9
55.05504	8.1
56.96559	0.9
57.03424	1.0
57.07051	2.4
58.02956	34.2
67.05494	21.9
69.07061	61.4
69.94048	3.1
70.06583	2.6
74.06063	2.0
74.69730	1.0
79.05466	6.1
81.07051	19.0
83.04963	1.7
83.08611	5.5
84.08131	7.6
86.06042	1.9
91.05468	5.2
93.07039	10.9
95.04971	1.7
95.08601	4.9
97.06508	3.9
98.06035	3.5
98.09692	2.3
98.97575	6.8
99.97919	1.8
100.07608	5.8
105.07015	12.7
107.08578	16.4
109.06505	2.7
109.10142	46.8
110.10539	1.1
112.07587	2.7
113.27431	0.9
114.09153	13.7
116.98597	3.7
117.98969	1.2
119.08541	1.8
121.10104	2.3
123.11723	8.6
126.09143	13.2
126.12791	0.9
133.10107	27.4
134.99594	2.2
135.11673	18.0
135.99809	1.0
138.12758	19.3
140.10672	1.8
140.14359	1.1
147.11668	3.9
151.11156	9.5
153.12729	10.3
154.15919	1.8
164.14386	2.1
165.12752	2.6
182.15387	100.0
183.15729	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	183.0651
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02375	1.1
52.03173	0.4
53.03941	5.6
55.01865	2.9
65.03931	4.3
67.05501	7.9
70.58263	0.7
71.04980	0.8
76.23069	0.5
77.03925	6.6
77.37761	0.5
79.05466	0.9
80.02617	0.5
81.03403	1.3
81.07042	1.2
83.04979	0.5
91.05481	1.8
93.03382	0.6
93.07014	2.3
95.04958	100.0
95.08582	4.0
96.05296	1.3
97.02901	0.5
97.06499	0.6
98.98471	4.9
99.04465	0.5
105.04501	10.4
105.07043	0.9
107.08584	0.7
108.02081	1.2
109.06516	0.6
109.10163	0.7
110.95077	0.5
111.04428	1.0
119.08567	2.2
121.03983	0.9
121.10159	0.6
123.04416	69.2
124.04761	1.4
124.07572	2.8
125.02348	3.7
127.07528	0.6
137.05957	0.6
137.09586	1.1
138.09132	0.7
140.04666	25.6
147.08037	0.7
155.07007	16.1
155.08345	0.6
165.09117	0.8
166.08588	0.8
183.06526	4.1
183.11517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01581	0.4
51.02372	0.5
53.03939	4.6
53.20031	0.3
55.01863	2.7
55.05503	1.0
57.03415	0.4
65.03936	5.1
65.06158	0.3
67.05499	9.5
69.03426	0.4
70.79678	0.6
71.04998	0.8
77.03923	6.3
79.05489	0.8
80.02638	0.5
81.03408	1.6
81.03837	0.3
81.07051	1.2
82.03761	0.7
85.02903	0.5
91.05481	0.6
93.03381	0.6
93.07031	1.2
95.04956	100.0
95.08605	2.5
96.05292	1.5
97.02875	0.9
97.06515	1.5
98.98463	6.7
99.04433	0.8
99.08054	0.4
105.04498	10.9
105.07005	0.7
107.08552	0.5
108.02093	1.0
109.06512	0.7
109.10139	1.4
110.03648	0.6
111.04449	1.1
113.02332	0.5
119.01909	0.6
119.08567	1.8
120.69013	0.4
121.03963	1.1
121.10092	0.4
122.03547	0.3
123.04414	71.0
123.07941	1.5
124.04765	1.3
125.02345	4.4
125.06008	0.6
127.01585	1.0
127.07525	0.6
137.05981	1.0
137.09583	1.9
139.03900	0.4
140.04666	27.7
141.05281	0.5
147.08035	0.4
151.03856	0.4
153.07338	0.7
155.07007	16.7
155.08295	0.6
160.04507	0.4
165.09082	0.5
165.12753	0.4
168.09427	0.4
181.85899	0.3
183.02948	0.4
183.06482	3.9
183.10150	0.9
183.11664	0.4
183.13602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
51.02364	0.3
53.03934	0.7
55.01866	2.4
55.05507	0.4
55.24154	0.2
56.85862	0.2
65.03929	0.7
66.04719	0.4
67.05498	1.5
69.03422	0.7
69.07059	0.4
71.04993	0.4
72.88928	0.2
75.95094	0.2
77.03930	0.8
78.03122	0.2
79.05486	6.9
81.03395	0.9
81.07046	1.7
82.03732	0.3
83.04969	0.3
85.06519	0.5
86.06065	0.3
91.04918	0.3
91.05462	1.8
93.03398	0.4
93.07039	1.0
94.03581	0.2
94.04170	3.4
95.04960	10.5
95.08604	1.6
96.05279	0.4
97.02872	0.4
97.06512	1.0
98.98462	4.5
99.04430	0.6
99.06348	0.3
103.05457	3.8
105.03412	0.3
105.04511	1.6
105.07019	36.4
106.07361	0.7
107.04926	0.4
107.08582	0.4
109.02872	0.9
109.06498	1.6
109.08447	0.3
109.10160	0.8
110.03614	0.3
111.04421	0.5
115.05449	0.7
118.27184	0.2
119.01904	0.4
119.06003	0.2
119.08559	0.7
121.10152	0.2
122.03634	9.4
123.04420	6.4
123.08032	1.0
124.05251	1.1
125.02346	0.3
125.05993	0.2
126.06320	0.3
127.01540	0.8
127.07561	0.3
131.04842	0.3
133.06479	27.3
134.06812	0.4
135.04443	0.3
137.05962	100.0
137.09399	1.1
138.06303	2.0
139.15393	0.2
140.04669	2.5
142.03442	0.3
146.06369	0.2
150.06763	0.4
151.07466	0.4
151.08575	0.2
153.07378	0.4
155.07013	1.4
155.08868	0.2
160.04494	0.3
164.69257	0.2
165.07617	0.4
165.09094	5.0
165.12685	0.3
166.05000	0.2
183.06497	0.3
183.08379	0.4
183.10126	0.4
183.13773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82484	0.4
56.05029	0.4
56.96552	1.3
60.08154	1.2
62.12627	0.3
70.72495	0.6
71.07368	0.7
74.97621	0.4
77.78296	0.3
81.07092	0.3
82.99831	1.5
84.01199	0.4
86.09694	6.7
95.06011	0.4
95.61181	0.4
98.97564	0.8
98.98471	1.4
101.00871	26.0
102.00967	1.2
102.02209	0.6
115.02449	0.5
116.98637	0.5
119.01911	100.0
120.01990	3.9
121.02332	0.6
124.02443	1.6
124.99998	5.4
133.01627	3.6
137.02948	25.4
138.03070	0.8
142.03487	18.7
143.01991	0.5
143.03700	1.0
151.02698	0.6
156.03180	2.4
157.03491	0.6
160.04547	5.4
161.02959	7.8
161.04596	1.8
165.05122	0.4
179.02382	0.9
179.03986	9.6
184.02901	0.6
184.04633	1.9
184.07312	6.1
202.03812	0.7
202.05594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32362	0.3
70.69373	0.5
82.99832	2.2
86.38867	0.3
100.02433	0.4
101.00869	31.4
102.00940	0.9
119.01907	100.0
120.01981	3.4
124.02447	1.8
137.02942	23.3
138.03029	0.7
142.03488	18.2
143.01851	0.4
143.03629	1.9
155.17320	0.3
160.04546	5.2
161.02948	7.3
161.04535	1.3
179.04002	9.3
179.05467	0.5
180.04024	0.5
184.04549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.01857	0.5
55.72763	0.4
56.05019	1.3
56.96558	2.8
58.06594	1.5
60.08153	20.9
68.97337	0.4
69.03413	0.6
70.06580	0.5
70.99862	0.4
71.07363	12.1
71.41024	0.4
73.02876	0.5
80.97409	0.4
81.03402	0.5
82.06612	0.5
82.99839	0.9
84.04464	0.6
85.02921	0.8
86.09692	100.0
87.10056	1.1
95.06065	0.9
96.04488	0.4
98.06059	0.4
98.98448	19.1
100.11191	0.4
101.00861	12.7
102.00983	0.6
103.02399	0.6
104.10721	6.6
107.06017	0.4
114.04135	0.4
116.99567	0.4
119.01900	56.2
120.01991	3.1
121.01556	0.5
121.07588	0.6
124.02406	0.6
124.99983	80.7
131.01826	0.4
133.01631	1.4
137.02936	18.7
138.03062	0.9
138.05473	0.5
138.10271	1.2
142.01717	1.1
142.03473	10.2
143.00960	0.6
143.01910	1.3
143.03618	1.3
149.07065	1.0
151.02634	0.6
156.03226	1.1
160.02815	1.3
160.04532	4.2
161.02919	6.8
161.04300	0.6
161.04601	0.8
162.03014	0.5
166.04982	0.6
179.02347	0.8
179.03944	6.3
179.05466	0.7
184.07315	97.4
185.07649	1.7
202.03722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
55.01859	2.5
55.05503	3.1
56.96566	3.2
57.07072	5.2
65.03931	2.3
67.05499	19.7
68.05029	2.6
69.04549	1.0
69.07063	3.9
70.02939	0.6
70.06589	5.1
72.04507	1.1
72.08146	0.7
73.02918	2.7
79.05499	2.8
81.03420	0.6
81.05795	1.3
81.07052	3.7
82.06557	1.3
83.04973	1.5
84.04501	6.8
84.08133	0.8
85.06528	3.0
86.09699	8.0
94.06580	1.0
95.04958	28.8
96.04484	0.7
96.05315	0.7
96.08121	12.4
97.06537	1.7
98.97569	0.6
98.98457	1.8
99.08057	0.7
101.00856	3.1
104.10741	0.9
107.06071	1.2
110.09657	1.2
111.04408	0.9
112.07607	2.6
113.05983	7.8
114.05531	3.9
119.01904	15.6
119.06095	0.8
119.96077	0.8
121.07610	1.3
124.07578	100.0
125.00005	2.3
125.07896	0.9
126.03108	0.9
130.05014	1.6
130.08659	0.7
131.07025	3.6
131.07867	0.6
134.99706	0.5
137.02939	4.7
137.07159	0.7
137.97122	0.6
138.09125	1.5
138.12839	0.9
140.10681	4.7
142.03484	2.3
142.05009	2.3
142.08609	11.7
142.12270	0.7
149.07118	2.4
156.10196	1.7
160.04536	0.7
161.02965	0.7
166.04991	1.2
166.08621	9.3
167.08186	1.2
179.03934	1.2
184.07387	2.3
184.09674	42.0
184.13181	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	184.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34382	0.8
55.01858	2.8
55.05493	3.2
56.05007	0.8
56.96558	9.3
57.03417	1.1
57.07066	9.6
59.31970	0.8
61.02898	0.8
65.03918	1.1
67.05499	20.4
68.05008	2.1
69.03414	1.5
69.04528	1.2
69.07069	4.4
69.35860	2.6
69.36250	1.3
70.02170	0.8
70.06573	3.6
72.04514	2.1
72.08171	1.4
73.02895	2.5
79.05473	3.0
81.05788	1.0
81.07048	5.7
82.06544	1.9
83.04963	2.8
84.04498	6.9
84.08133	1.9
85.02901	3.0
85.06528	3.1
86.09706	10.2
89.62839	0.9
92.05093	0.8
93.07006	0.9
94.06575	1.0
95.04961	27.6
96.08128	11.0
97.06504	1.3
98.23467	1.8
98.98442	2.8
101.00854	3.8
101.95005	2.5
104.10726	1.5
107.04963	1.4
107.06041	1.4
109.02946	1.3
110.09647	1.5
111.04452	2.1
112.07575	2.4
113.05999	8.0
114.05502	3.1
116.98672	1.2
119.01908	25.4
119.96057	0.9
121.06482	1.8
121.07602	2.8
124.07581	100.0
124.99963	4.5
125.07919	1.7
126.01044	1.8
128.03429	7.0
130.05002	1.1
130.08598	1.8
131.06091	0.8
131.07036	4.3
137.02957	11.5
137.07097	1.7
138.05377	1.0
138.09109	1.8
138.12784	2.2
140.10686	2.2
142.03482	6.6
142.04883	1.2
142.08626	11.8
148.03915	1.7
149.07112	3.9
151.39110	0.8
156.10229	1.4
160.04549	2.4
161.01202	3.6
161.02892	2.1
166.04999	1.4
166.08601	9.3
167.08185	2.6
178.98581	1.3
179.02324	1.7
179.03970	2.8
184.07430	4.7
184.09674	51.5
184.13216	6.3
184.16895	2.1
185.05905	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	78.3
63.50693	6.6
64.69174	6.9
70.00306	13.9
70.00636	10.3
70.06573	8.3
73.02908	8.0
73.37637	5.0
76.47493	6.9
77.66917	5.0
82.01443	6.2
87.10027	25.4
97.99168	9.4
98.23259	10.7
98.92636	7.6
98.97577	9.2
101.00880	29.0
102.00941	14.5
105.11099	10.0
113.00885	9.4
115.02400	6.2
116.00174	7.9
119.01909	54.7
120.01971	27.5
121.01634	10.3
124.00706	24.1
124.99997	13.2
126.00294	7.3
131.01881	37.6
137.02922	11.4
138.03020	8.1
142.01762	100.0
145.03464	14.4
149.07092	7.2
155.01906	17.1
157.03532	6.6
160.02827	91.8
161.02951	16.1
162.03062	17.9
167.08058	8.3
168.10133	8.0
173.02977	21.5
185.02968	11.5
185.07674	24.9
186.11243	13.3
203.03506	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	186.1124
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05503	1.1
56.05024	1.3
56.96574	0.6
57.03417	0.8
57.07071	14.6
62.44662	0.5
69.03421	1.0
69.92616	1.2
70.06596	3.0
71.04973	0.6
72.08189	0.6
74.09710	4.6
81.07058	0.7
82.06570	0.6
83.04963	0.7
84.04494	17.7
84.08155	0.8
85.02898	27.9
87.04455	2.3
95.01346	2.8
97.30576	0.6
98.22685	0.8
98.23249	1.4
102.05531	15.8
112.03958	2.0
112.07586	0.8
116.98338	0.5
121.00767	3.0
121.01664	1.6
122.06008	2.4
126.05531	1.6
126.12789	0.7
127.03917	1.1
130.04988	100.0
131.05284	0.8
138.05484	1.3
139.01796	2.9
139.02698	0.6
140.07089	1.2
158.11792	2.6
159.24387	0.8
163.01782	4.8
167.71181	0.5
181.02844	7.9
186.07666	1.8
186.11237	92.1
187.09372	2.3
187.11557	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.26130	0.2
55.05490	0.2
60.04053	0.2
66.55094	0.2
67.05498	0.2
69.30279	0.8
88.02201	0.7
91.05463	1.2
98.23434	0.4
100.37091	0.2
100.91551	0.2
103.03272	0.2
105.06960	0.3
115.02052	0.2
115.05429	1.7
116.06218	1.6
117.07025	0.2
118.06530	3.9
118.23166	0.2
128.06236	0.6
129.07008	1.4
131.04901	0.2
131.08542	1.1
141.06963	1.0
142.06519	0.2
143.04871	0.3
143.07265	0.6
144.05685	50.1
145.06137	0.9
145.10126	0.4
146.05978	5.0
146.07121	0.3
155.04889	0.7
155.06023	0.4
156.05670	0.9
157.06496	0.5
159.06900	0.4
159.08058	2.7
159.11615	0.7
170.05983	0.4
172.05174	49.5
173.05507	1.1
187.07518	100.0
188.08028	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01370	0.3
67.01870	0.3
67.05479	0.8
69.06530	0.4
69.06931	1.5
71.78230	0.3
79.05484	0.4
79.58292	0.3
88.02205	0.4
91.05473	4.1
91.88301	0.3
103.05473	0.5
105.07027	6.3
115.05419	1.3
116.06242	1.5
117.07001	4.2
119.08567	11.4
128.06195	3.7
129.06993	13.8
130.07852	1.4
131.04900	0.3
131.08554	9.6
131.21289	0.3
141.06970	0.8
142.07741	1.0
143.08493	2.0
144.05688	2.8
144.09328	21.1
145.06508	0.6
145.10010	0.9
147.07980	0.5
154.07748	0.9
155.04872	0.4
155.06044	0.6
156.05672	1.1
157.06447	1.4
157.07576	0.3
157.10114	1.5
158.07246	0.6
159.08064	8.0
159.11681	29.5
160.12009	0.6
169.10138	1.9
171.08051	0.4
172.08821	11.4
173.09271	0.3
186.10284	0.5
187.07602	10.1
187.11156	100.0
188.11501	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03934	3.4
55.05511	7.1
57.07062	2.4
59.04991	3.0
65.03941	1.5
67.05492	7.3
69.03416	3.9
69.07063	17.1
70.06580	9.1
70.68128	2.0
71.04987	27.5
71.06916	4.9
73.06541	1.7
75.81302	1.1
79.05488	20.8
80.79556	1.2
81.03414	2.2
81.07051	100.0
82.07395	2.3
83.04973	5.5
83.08619	2.6
88.02200	5.7
91.05471	4.4
93.07035	5.0
95.04955	3.3
95.08592	3.2
97.06519	5.3
97.10162	1.4
99.04406	2.0
99.08090	4.2
101.06001	1.8
105.07027	3.1
107.08577	10.5
109.06512	4.4
109.10149	17.9
111.08057	3.1
111.11696	6.7
115.05403	1.3
121.10145	2.8
123.11695	20.2
127.03907	1.8
127.11182	1.8
129.07018	1.7
131.08571	2.7
133.10110	4.0
139.11172	8.9
144.05676	2.4
145.10107	2.3
151.11171	9.6
155.03378	1.4
157.12251	2.6
159.06946	2.5
159.08086	3.0
159.11632	2.0
169.12247	4.8
172.08824	1.7
187.07518	7.3
187.11064	1.9
187.14934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05511	7.1
57.07062	2.4
59.04991	3.0
65.03941	1.5
67.05492	7.3
69.03416	3.9
69.07063	17.1
70.06580	9.1
70.68128	2.0
71.04987	27.5
71.06916	4.9
73.06541	1.7
75.81302	1.1
79.05488	20.8
80.79556	1.2
81.03414	2.2
81.07051	100.0
82.07395	2.3
83.04973	5.5
83.08619	2.6
88.02200	5.7
91.05471	4.4
93.07035	5.0
95.04955	3.3
95.08592	3.2
97.06519	5.3
97.10162	1.4
99.04406	2.0
99.08090	4.2
101.06001	1.8
105.07027	3.1
107.08577	10.5
109.06512	4.4
109.10149	17.9
111.08057	3.1
111.11696	6.7
115.05403	1.3
121.10145	2.8
123.11695	20.2
127.03907	1.8
127.11182	1.8
129.07018	1.7
131.08571	2.7
133.10110	4.0
139.11172	8.9
144.05676	2.4
145.10107	2.3
151.11171	9.6
155.03378	1.4
157.12251	2.6
159.06946	2.5
159.08086	3.0
159.11632	2.0
169.12247	4.8
172.08824	1.7
187.07518	7.3
187.11064	1.9
187.14934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05513	1.3
57.01738	0.5
57.07079	3.0
63.65023	0.6
67.05518	1.6
69.07065	1.8
71.42416	0.6
77.73643	0.6
77.87573	0.5
79.05485	1.5
81.03429	0.7
81.07064	4.5
82.15632	0.6
83.08614	0.5
85.10138	0.5
88.02226	1.4
91.05473	7.5
93.07046	2.7
95.08569	3.7
102.12818	2.1
105.07028	11.5
107.08589	1.5
115.05466	1.2
116.06260	1.4
117.07006	9.0
119.08575	22.1
128.06252	1.9
129.06984	3.1
129.66891	0.6
130.07788	6.6
131.08565	18.7
133.10138	1.7
142.07759	0.9
143.08549	8.0
144.09340	2.9
145.10118	100.0
146.10461	2.3
157.10107	7.4
158.10928	5.6
159.11684	13.2
172.12482	6.5
177.33064	0.6
181.97121	0.6
186.22168	8.5
187.07504	0.9
187.11223	2.2
187.14806	66.1
187.22490	3.5
188.15181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.65839	0.6
82.40789	0.4
86.09704	0.5
90.62152	0.3
91.05469	4.3
92.57484	0.4
97.61327	0.3
98.23000	0.5
115.05440	6.2
116.06225	0.5
117.05741	1.4
117.07005	4.6
118.06529	71.4
119.06890	1.3
120.16904	0.4
132.08089	0.8
137.38277	0.4
137.72272	0.3
142.06511	5.9
143.07291	10.7
144.04453	0.7
144.08069	25.8
145.06471	0.8
145.08427	0.7
146.05991	100.0
147.06308	1.7
155.06030	1.0
160.07544	0.9
170.05995	8.5
188.07059	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
51.57213	0.3
55.50850	0.3
63.02367	0.3
68.80577	0.3
79.05470	0.5
81.07013	0.3
83.31917	0.3
84.04502	2.2
85.02920	0.5
86.18277	0.3
86.63684	0.3
89.39725	0.3
91.05472	7.2
92.05799	0.6
103.05481	0.8
105.07015	2.2
106.07359	0.4
107.04916	0.4
115.05453	7.0
117.05748	1.2
117.07014	4.9
118.06534	71.4
119.04968	0.5
119.06866	1.5
119.08561	1.0
121.06533	0.6
122.89806	0.3
127.05431	0.3
128.06230	1.1
129.05531	0.3
129.06990	2.8
130.07841	0.5
131.04944	1.0
131.08549	1.0
132.08081	0.6
133.06430	0.3
133.10149	0.4
142.06514	6.7
142.50533	0.3
143.07301	12.1
143.08397	0.5
144.04448	0.8
144.08073	23.1
145.06453	1.1
145.08458	0.8
145.10048	0.5
146.05997	100.0
147.06300	2.2
147.08022	0.7
148.05180	0.7
155.06073	1.5
157.06459	1.1
159.07980	0.4
159.11583	0.5
160.07542	0.9
160.12004	0.7
161.05968	5.1
161.09622	5.1
170.05998	9.1
173.05641	0.5
174.06754	1.8
188.07022	20.3
188.11522	1.5
189.07468	0.6
189.09070	7.0
189.12679	1.2
189.16266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61920	1.4
55.01870	59.0
56.96576	8.5
57.03435	61.5
59.04999	9.2
61.02912	3.8
63.64452	1.4
67.51242	1.4
68.99848	1.8
69.03427	2.5
69.73180	4.5
70.06590	1.8
70.98118	2.5
71.01347	37.9
71.01723	3.0
71.04976	6.3
73.02914	23.1
75.04487	4.6
79.42562	1.4
83.01342	11.6
84.08139	5.4
84.99257	2.9
85.02902	3.7
85.06615	1.5
87.00817	3.4
87.04462	52.9
89.02394	5.7
93.88985	1.6
95.01332	7.1
98.97581	6.9
101.02372	100.0
103.00636	1.7
103.03970	8.0
111.00787	13.2
113.02363	7.0
115.03921	87.8
116.98626	4.0
117.01879	2.1
119.01942	3.2
121.01649	8.3
126.17451	1.7
127.03839	2.1
129.01845	30.9
131.03433	2.4
134.05940	1.5
141.01871	2.0
143.03412	7.2
157.01312	85.7
160.87088	1.7
175.02396	4.8
189.00926	2.3
189.03949	2.8
207.01817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38847	0.7
53.15652	0.7
55.05506	1.2
67.05499	0.7
69.84796	0.7
69.85108	1.2
79.05476	1.7
81.07029	1.0
86.09685	6.6
87.10023	6.3
91.05469	13.3
95.04945	1.1
103.05440	1.5
105.07016	9.0
107.04922	2.9
109.76556	0.7
115.05427	2.2
116.06217	2.2
117.06964	1.8
118.04112	1.1
119.04957	3.3
119.08555	2.2
121.06490	6.0
122.33492	0.7
128.06204	13.4
129.06984	33.4
129.11028	2.8
130.07838	1.4
131.04903	9.1
131.08521	6.3
132.05701	1.2
133.06479	2.1
133.10080	3.0
143.08554	2.4
144.05667	1.9
145.06461	5.5
145.41089	0.7
146.03596	0.8
146.07237	14.7
147.07957	1.8
147.11922	1.0
148.05180	9.7
149.02345	0.8
149.09613	1.1
155.06024	1.8
156.05614	0.9
157.06451	13.8
158.07243	4.6
159.04378	3.2
159.08038	2.0
160.08876	1.5
161.05957	47.7
161.09592	54.3
162.06340	1.2
162.09956	1.6
171.07999	2.2
171.12021	2.2
174.06735	28.8
175.06987	1.0
189.09071	100.0
189.12675	2.7
190.09398	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.25858	0.6
53.03952	0.7
55.05492	1.7
63.02364	0.6
67.05488	0.8
69.14122	4.0
70.06561	1.5
79.05473	2.0
81.07040	1.5
91.05466	14.0
92.05795	0.8
93.07043	1.3
95.04947	1.4
95.08595	0.8
103.05455	1.4
105.07024	9.4
107.04965	3.1
115.05448	2.6
116.06263	1.5
117.06991	1.8
118.04177	1.0
118.06598	3.6
119.04952	4.2
119.06132	0.7
119.06867	7.7
119.07632	0.9
119.08540	4.9
121.06506	5.6
128.06213	14.0
129.06989	39.5
130.07655	1.9
131.04933	8.8
131.08559	7.9
132.05714	0.8
133.02805	1.3
133.06511	2.9
133.10118	4.4
141.06987	0.8
143.06799	0.7
143.08531	2.5
144.05675	2.6
144.07700	2.0
145.06523	5.6
145.08366	4.7
145.10141	1.0
146.03621	1.3
146.05994	2.8
146.07230	13.3
147.04396	2.3
147.06357	12.4
147.08063	3.5
147.11662	2.3
148.05176	6.9
149.02336	1.0
149.09578	0.8
155.06013	2.4
156.09320	1.5
157.06464	17.5
158.07307	4.4
159.04367	2.7
159.08054	3.0
159.09166	0.7
160.08809	1.6
161.05960	40.1
161.09598	47.8
161.13229	2.7
162.06276	1.3
162.09937	1.5
171.06345	1.7
171.08060	2.1
171.11670	2.0
173.05919	0.8
174.06746	36.3
174.10260	2.8
175.07085	1.3
189.07556	4.4
189.09074	100.0
189.12617	11.4
190.06219	2.6
190.09410	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
55.50290	0.6
57.13849	0.5
70.99641	0.7
79.05489	1.6
81.03419	0.6
81.07055	0.6
87.46375	0.6
91.05470	23.2
93.07048	1.1
95.08580	0.9
98.16064	0.6
103.05446	3.1
105.03314	0.7
105.07022	14.4
107.04932	4.4
113.11222	0.6
115.05442	2.8
116.06222	3.7
117.07011	2.6
118.04147	2.4
118.07800	0.6
119.04927	6.1
119.08547	4.2
121.06483	10.0
128.06195	12.1
129.06989	25.6
130.07808	3.0
130.89229	0.7
131.04913	15.0
131.08559	7.7
132.05696	1.4
133.02827	1.5
133.06496	4.7
133.10098	4.6
141.06967	0.7
143.08572	1.8
144.05675	3.2
145.06477	5.8
146.03596	1.8
146.07246	23.0
147.04387	0.9
147.08031	2.9
147.11671	1.4
148.05171	13.1
149.09608	1.1
155.06021	2.1
156.05705	0.9
157.06488	8.3
158.07272	1.4
159.04396	2.0
159.07996	2.5
159.09160	0.9
160.05202	1.8
160.08847	1.9
161.05963	77.3
161.09599	79.6
162.06326	2.1
162.09908	2.2
171.08035	2.5
171.11678	1.1
173.05978	0.7
174.06755	14.3
185.02063	0.7
189.09081	100.0
189.16339	1.3
190.09377	3.1
206.92110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.60916	0.5
53.23110	0.5
53.49287	0.5
55.05501	1.2
57.03413	0.5
59.35400	0.5
69.03386	0.6
69.16573	0.5
71.42509	0.8
79.05490	1.4
85.02905	0.7
91.05466	21.6
93.07055	0.8
95.04971	0.7
103.05439	2.9
105.07014	11.1
107.04916	4.5
115.05441	2.2
116.06229	2.9
117.06996	2.2
118.04160	2.2
118.07821	1.3
119.04939	5.4
119.08562	0.9
121.06487	11.1
126.00077	0.7
128.06206	11.5
129.06992	23.8
130.07744	2.0
131.04904	13.4
131.08553	9.0
132.05682	1.7
133.02829	1.0
133.06482	3.0
133.10094	2.5
134.64702	0.6
143.08487	1.6
144.05649	3.5
145.06461	4.9
146.03642	1.4
146.07243	19.2
147.08003	2.1
148.05159	12.0
148.59850	0.6
149.05928	0.7
149.09650	1.4
149.51512	0.6
155.06012	2.0
156.05746	0.9
157.06468	7.3
158.07243	1.6
159.04367	2.2
159.08032	3.2
160.08818	1.7
161.05959	77.7
161.09590	83.8
162.06389	0.8
162.09912	2.1
171.08012	1.1
173.06113	0.7
174.06735	11.7
189.09076	100.0
190.09372	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	189.112
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
55.01859	5.1
55.05511	29.6
57.03431	55.3
57.03693	5.1
57.07072	86.0
61.02927	9.8
67.05504	17.4
67.20740	3.5
69.03419	15.8
69.07068	25.1
70.08604	7.9
71.01360	5.4
71.04990	8.3
71.08636	7.3
73.02923	12.7
79.05498	21.5
81.03426	3.9
81.07053	49.1
83.04980	9.7
83.08602	16.5
85.02895	18.0
85.06543	40.3
87.08112	3.4
91.05481	10.5
93.07032	16.6
95.04995	5.1
95.08614	12.3
105.07030	4.6
107.08580	8.1
109.06538	10.1
111.04470	7.8
111.08063	14.4
125.09637	7.7
127.07554	100.0
129.09099	4.3
133.10115	6.5
141.09146	6.4
153.09067	25.1
171.10141	8.6
205.84007	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
57.07055	0.6
57.43991	0.5
59.04978	0.6
67.05498	4.6
67.44113	0.5
69.03421	8.8
69.07062	3.9
70.75267	0.8
75.86431	0.5
77.03915	0.9
77.14088	0.5
79.05479	4.4
81.07050	4.8
83.04967	2.3
85.02876	0.6
91.05473	11.2
93.07038	4.6
95.04955	3.2
95.08589	0.6
97.06470	0.8
103.05467	1.8
105.04501	0.5
105.07017	23.5
107.04946	1.4
107.08595	5.2
109.06499	2.1
115.05439	1.2
117.07002	3.1
119.04926	2.6
119.08570	43.3
120.08868	0.7
121.06503	3.8
121.10120	2.6
128.06204	4.0
129.06978	4.8
130.07816	1.1
131.04865	1.4
131.08560	11.4
132.05692	1.0
132.09265	0.8
133.06462	4.0
133.10118	15.7
134.10474	0.5
135.08035	5.5
141.06921	2.8
142.07712	0.7
143.08551	5.1
144.05637	0.6
144.09375	0.6
145.06436	3.8
145.10150	4.6
146.07246	3.5
146.10924	1.5
147.08032	21.5
147.11665	18.6
148.05141	1.2
149.09596	0.9
155.08479	1.0
156.09337	16.5
157.06445	1.1
158.07274	0.6
159.08037	18.5
159.09338	1.1
159.11673	2.6
160.08835	7.7
161.05971	6.8
161.09610	18.9
161.13239	25.9
171.11665	18.7
173.09627	1.5
174.06741	1.4
174.10390	36.7
175.10733	0.8
189.09137	9.9
189.12717	100.0
190.13074	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1345
Annotation	L-NMMA
Peak:m/z	Relative Intensity
57.04554	10.0
60.08152	1.1
68.05023	0.3
69.78566	0.8
70.06584	100.0
71.04991	2.6
71.06910	0.5
72.08150	6.1
72.84748	0.2
74.02431	0.4
74.07195	31.5
81.96711	0.2
84.08138	3.7
87.09244	0.3
88.07629	1.8
97.07645	0.7
98.06039	0.8
98.97583	0.7
112.08722	2.1
113.07114	0.5
114.10276	0.5
115.08681	7.0
116.07079	38.3
116.98622	0.5
126.10306	1.3
128.11775	0.3
130.08614	1.1
133.09705	2.7
141.06551	0.3
144.11307	17.9
158.09227	5.9
158.10454	0.4
171.12383	0.8
172.10800	5.7
189.13451	28.3
190.13776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99064	1.3
57.07070	26.3
59.99105	5.0
62.99073	0.9
69.24903	0.6
69.25310	1.5
72.38580	0.3
78.00146	41.9
84.08141	0.8
86.09187	0.6
86.09696	9.6
88.02221	0.6
91.05466	0.5
92.01691	1.1
93.07038	0.6
105.07021	0.4
116.05298	1.1
119.08603	0.5
121.10094	0.7
131.08594	0.7
133.10150	0.4
134.06335	46.1
135.94208	0.4
138.62244	0.4
148.07886	3.5
149.02246	1.0
173.13158	0.5
190.12579	100.0
191.06956	0.4
191.12860	1.5
191.14326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Oospolactone
Peak:m/z	Relative Intensity
50.01630	0.8
52.21188	0.9
53.03945	1.1
53.06366	0.7
58.18363	1.0
66.04713	1.1
69.03395	1.3
69.33273	4.5
77.03922	1.6
78.04729	0.9
79.05495	6.4
87.57482	0.8
89.03898	2.0
90.04698	5.6
91.05479	11.1
92.06256	2.5
93.07030	2.5
95.04958	5.0
95.08594	1.3
102.04675	7.1
103.05461	100.0
104.05757	1.9
105.03378	12.8
105.04479	1.7
105.07027	11.5
107.04936	6.9
107.08561	3.0
109.06448	1.1
115.05465	7.0
117.06989	4.7
118.04150	28.9
119.04944	11.7
120.05723	6.4
120.08081	1.2
121.02902	0.8
121.06487	1.4
121.10148	1.1
123.04484	1.0
130.04144	12.5
131.04916	73.2
131.08589	1.0
132.05750	7.5
133.02846	18.1
133.06482	7.7
133.10040	1.3
135.08040	9.4
140.38611	0.9
145.06474	3.9
145.10062	1.5
146.03621	6.9
147.04393	4.8
148.05183	58.2
149.05806	1.9
158.03705	0.9
159.04408	3.2
160.05153	2.1
161.05946	2.0
163.07527	79.6
164.07883	1.2
173.05989	6.6
173.13312	1.3
176.04666	17.5
185.90916	0.9
191.06993	69.8
191.14215	5.6
192.07430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
55.05479	1.3
56.96562	1.8
66.04681	1.7
71.42896	1.7
77.03903	2.0
79.05480	6.5
80.05004	1.8
80.43980	1.4
81.07022	2.6
84.92640	1.5
90.04697	4.6
91.05470	10.6
92.06271	2.5
93.06989	1.9
95.04963	5.1
95.08582	2.7
98.22986	1.6
102.04671	5.4
103.05460	100.0
105.03381	10.7
105.04482	1.4
105.07017	12.2
107.04940	6.1
107.08580	2.0
115.05454	7.9
117.03383	1.9
117.07010	3.8
118.04164	30.7
119.04923	8.2
120.05722	3.8
120.08064	2.7
121.06490	1.5
121.10105	3.6
130.04146	10.7
131.04921	72.0
131.08521	3.4
132.05685	5.6
133.02847	19.8
133.06503	8.8
133.10146	2.7
135.08020	6.2
135.11661	1.9
145.06493	3.9
145.10106	3.3
146.03612	6.3
147.04395	1.9
148.05182	55.8
149.09561	1.8
159.04356	3.4
160.05156	2.1
161.05948	2.4
163.07526	84.0
163.11209	2.1
164.07840	1.7
173.05968	4.9
176.04666	18.4
191.06973	68.4
191.11887	12.7
191.14230	9.5
192.07372	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Coixinden A
Peak:m/z	Relative Intensity
51.95597	1.1
55.05475	1.8
56.96561	16.3
58.99088	1.1
67.05470	1.3
69.03396	3.3
69.07048	1.6
72.93749	3.3
79.05461	2.5
80.04964	2.1
81.07018	1.7
83.04929	1.7
84.04468	2.5
90.94788	2.7
91.05464	6.7
93.06991	2.5
95.04946	2.2
98.23460	2.1
98.97523	4.5
100.99070	1.2
102.04613	1.4
103.05457	61.9
105.06996	3.6
107.04879	3.6
107.08550	5.2
110.10455	1.2
115.05400	3.5
116.98561	3.5
117.06980	1.9
118.06431	1.4
119.00112	1.1
119.04912	2.7
119.08530	1.8
120.08040	2.4
121.06422	1.8
121.10129	2.5
128.98566	1.4
129.06866	1.6
130.04063	2.7
131.00098	6.4
131.04913	100.0
131.08485	3.7
132.05267	1.6
132.95796	3.1
133.06445	3.5
133.10049	1.5
134.99564	2.0
135.04372	3.2
135.07968	4.5
137.05901	1.4
141.03287	4.1
145.06407	3.2
145.10066	2.6
146.06007	1.8
146.99593	1.4
147.04341	3.9
148.05093	5.3
149.01198	17.5
149.09523	2.5
149.13133	1.8
149.95992	2.3
150.96866	8.5
159.04396	48.1
160.05194	11.5
162.05379	1.3
163.03874	2.9
163.07523	42.1
163.11113	1.5
164.07912	1.2
167.02318	7.8
167.97064	1.8
173.05801	1.6
173.07130	1.8
173.13223	3.5
174.05373	2.5
176.03215	2.0
176.04666	31.9
191.03409	1.8
191.05293	2.6
191.06912	46.3
191.11838	7.8
191.14267	15.7
192.06464	2.2
201.06477	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	1.7
54.63121	1.1
55.05513	5.8
57.03416	1.4
57.07069	2.7
63.75926	1.3
65.03951	1.9
67.05189	1.0
67.05496	6.7
69.03423	28.7
69.07060	23.5
69.53562	5.1
69.53933	1.9
79.05480	9.8
81.07042	8.7
83.04979	6.0
83.08604	2.0
85.06540	2.1
85.54299	1.3
91.05473	24.3
91.05988	2.2
93.07034	14.0
95.04955	4.4
95.08591	15.4
97.06524	5.4
98.22623	1.2
103.05464	1.9
105.07021	24.0
107.04924	1.9
107.08591	29.8
109.06500	10.2
109.10152	3.6
111.08093	2.5
115.05418	2.8
116.06232	1.5
117.07017	8.3
119.08575	19.4
121.06486	6.9
121.10132	24.9
123.08054	5.2
128.06171	2.2
129.06993	8.5
130.07796	3.9
131.04900	1.5
131.08554	32.3
133.10104	17.0
135.08049	27.9
135.11693	6.3
137.09579	1.9
141.36513	1.5
143.08542	14.1
144.09303	3.6
145.10121	18.2
147.08025	1.5
147.11710	9.1
149.09590	12.8
149.13196	8.9
158.10896	13.2
161.09566	1.7
163.11157	2.4
163.14818	5.2
173.13243	37.8
176.11925	2.0
191.06825	2.0
191.10587	3.9
191.14288	100.0
192.14653	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70834	0.6
53.03958	1.2
55.01875	1.7
55.05508	5.0
57.03425	1.6
57.07083	1.5
59.04996	3.1
62.91094	0.7
64.92206	0.6
65.03941	0.6
65.30872	0.6
67.05496	6.3
67.44984	0.7
69.03423	4.1
69.07066	9.7
70.78385	1.3
71.04987	3.5
77.03899	0.8
77.23474	0.7
79.05482	9.7
81.07050	11.5
83.04977	3.7
83.08618	4.6
85.06535	3.7
86.57150	0.7
87.85605	0.7
91.05475	20.4
93.07043	15.4
95.04958	5.6
95.08598	9.6
97.06526	8.6
99.08072	0.9
99.77644	0.7
100.54929	0.7
103.05476	3.3
105.07026	38.8
107.04926	1.4
107.08584	26.7
109.02850	0.7
109.06507	6.1
109.10165	6.8
111.08061	2.2
111.25407	0.7
113.09602	0.7
115.05443	2.8
116.06229	1.6
117.07018	6.5
118.07794	0.8
119.05207	0.8
119.08578	17.8
121.06464	5.5
121.10144	17.7
123.08053	5.8
129.06982	5.0
130.07755	2.3
131.04919	2.6
131.08562	43.3
132.08911	0.8
133.06441	1.6
133.10121	100.0
134.10484	2.3
135.07051	1.0
135.08049	13.5
135.11682	4.1
143.08546	6.7
144.09299	2.9
145.06456	1.0
145.10117	22.1
147.08011	2.4
147.11668	11.1
148.08749	1.6
149.09637	6.9
149.13234	10.9
150.10370	1.3
158.10901	13.2
160.05054	7.2
161.09544	0.9
161.13248	1.0
163.07520	2.7
163.11136	2.6
163.14821	3.2
171.11642	1.1
173.09792	1.4
173.13246	47.0
174.13589	1.3
191.06918	3.7
191.10471	3.7
191.14290	50.5
192.14534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01865	3.1
55.05509	10.3
57.07051	1.8
67.05496	11.4
69.03430	11.9
69.07059	12.5
69.57742	5.6
71.04965	4.6
77.03897	1.5
79.05482	14.7
81.07047	25.6
83.04974	11.2
83.08599	3.5
85.06528	5.3
86.45202	1.2
91.05464	23.1
93.07027	30.0
95.04951	9.1
95.08026	1.9
95.08595	28.4
97.06525	11.3
103.05430	10.1
105.07014	28.2
107.04930	15.9
107.08580	62.2
109.06496	17.5
109.10144	7.7
111.08051	6.0
112.69816	1.2
116.06188	1.8
117.06996	5.7
119.04962	2.1
119.06025	2.3
119.08559	16.7
121.06494	38.4
121.10130	55.1
123.08029	16.5
123.11646	2.0
128.06073	1.4
129.06976	4.1
131.04916	6.4
131.08543	34.7
133.06512	1.6
133.07607	1.5
133.10110	32.0
135.08032	34.5
135.11682	8.7
143.08554	4.7
144.09285	2.1
145.10100	18.4
147.04346	2.9
147.07939	2.2
147.11662	18.2
148.05186	4.6
148.08817	1.8
149.08479	2.5
149.09599	31.6
149.13243	16.6
158.10904	9.4
160.05052	2.1
161.09641	2.0
163.07556	7.7
163.11154	4.8
163.14783	13.5
167.11771	1.5
169.22350	1.2
173.13237	39.0
176.04672	8.2
176.11891	1.6
177.05440	2.4
191.06978	16.4
191.14279	100.0
192.14619	1.5
198.82703	1.3
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
52.12456	0.7
53.03923	1.5
54.79728	0.6
55.01854	1.9
55.05512	6.5
56.96541	0.9
57.07058	1.5
67.05492	4.3
69.03425	15.7
69.07060	8.7
69.30731	3.9
71.04991	1.0
77.03880	0.8
77.53011	0.7
79.05488	10.9
81.07062	6.9
83.04974	13.8
83.08604	2.9
84.78040	0.7
86.58456	0.7
91.05477	13.6
91.19778	0.6
93.07037	10.7
95.04967	5.5
95.08587	6.7
97.06513	2.6
100.08440	0.7
102.04671	0.7
103.05456	13.9
105.03404	0.9
105.04491	0.8
105.07024	18.2
107.04955	5.5
107.08587	39.3
109.06511	4.9
109.10140	3.5
115.05408	3.2
117.07008	7.0
118.04125	1.9
119.04924	2.1
119.08558	10.9
120.05692	1.5
121.06503	10.8
121.10141	17.5
123.08028	2.8
129.06956	2.4
130.04123	1.3
130.07825	1.3
131.04916	15.9
131.08560	16.0
132.05692	2.0
133.02806	2.0
133.06487	2.1
133.10118	15.8
135.08047	17.2
135.11671	4.1
136.08775	0.8
137.09610	1.5
143.08501	4.0
144.09303	1.1
145.06476	2.0
145.10112	22.9
147.04353	1.0
147.08022	1.6
147.11668	10.0
148.05193	7.0
149.05920	2.0
149.09627	5.7
149.13248	6.2
152.89786	0.8
158.10919	7.5
159.04398	1.8
160.05099	3.5
161.09642	4.4
162.05391	0.8
163.03812	0.9
163.07533	12.3
163.11143	3.4
163.14803	2.8
171.11638	0.8
173.05962	1.7
173.09627	1.6
173.13245	16.9
176.04651	5.5
176.11984	1.7
191.03374	0.9
191.06998	21.8
191.10577	5.8
191.14288	100.0
191.17938	2.4
192.14642	2.6
213.64619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.67954	0.4
55.01878	0.6
55.05502	2.4
57.03419	0.4
57.07063	1.4
67.05499	2.4
69.03426	14.2
69.07059	5.2
69.27189	0.8
69.27605	2.0
79.05484	3.6
81.07053	2.1
83.04976	13.6
83.05357	0.3
83.08612	1.7
85.06528	0.9
91.05476	4.4
93.07043	3.6
94.06281	0.5
95.04951	1.2
95.08588	2.2
97.06527	1.9
103.05444	1.5
105.07021	6.1
107.04945	0.9
107.08585	23.7
109.06525	2.2
109.10116	1.0
111.08054	0.5
115.05434	0.5
116.06192	0.7
117.06973	1.1
119.08569	5.9
121.06496	4.2
121.10140	9.8
123.08045	0.9
129.06984	0.8
131.04903	1.2
131.08554	8.7
131.09470	0.9
133.06404	0.5
133.10120	9.7
135.08047	13.8
135.11641	2.2
136.08818	0.9
143.08562	3.1
144.09285	0.9
145.10114	4.5
147.08025	1.0
147.11676	5.4
148.08810	0.8
149.09596	3.8
149.13246	4.3
158.10913	6.1
159.07866	0.4
161.09589	4.2
163.07513	0.5
163.14799	1.1
171.11627	0.5
173.13240	12.0
174.13618	0.6
176.04686	0.9
176.11958	2.5
191.07025	1.7
191.14293	100.0
192.14598	2.2
195.70013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84920	1.4
53.03935	2.1
55.01847	1.5
55.05492	9.0
57.03409	1.5
58.54019	1.4
59.04995	1.6
59.70795	1.5
67.05500	10.0
69.03421	7.7
69.07058	10.9
69.34537	6.5
71.04967	3.6
79.05485	13.4
81.07058	12.8
82.88250	1.3
83.04959	4.6
83.08595	5.8
85.06541	3.0
91.04939	2.4
91.05468	28.5
93.07040	21.4
95.04953	9.1
95.08588	14.1
97.06512	8.0
99.11826	1.3
103.05432	6.3
105.07018	46.1
107.04956	3.5
107.08585	35.9
109.06530	7.0
109.10133	8.8
111.08086	1.6
113.75364	1.6
115.05426	2.9
116.06216	3.4
117.06985	10.7
119.08556	19.5
121.06485	9.3
121.10135	24.7
123.08033	5.7
123.11638	1.5
129.06985	6.4
130.07764	2.3
131.04921	9.1
131.08551	58.0
131.35124	1.3
132.05704	1.6
133.06430	2.5
133.10110	100.0
134.10422	2.2
135.08038	17.0
135.11676	8.7
135.42485	1.4
143.08493	9.9
144.09305	4.6
145.06461	1.8
145.10115	28.4
147.08038	2.0
147.11707	9.1
148.05168	3.2
148.08836	1.7
149.09589	9.2
149.13222	13.3
158.10904	14.9
159.08083	9.1
161.09575	2.9
161.13200	4.2
163.07529	10.2
163.11183	4.5
163.14786	4.0
173.09650	2.7
173.13245	51.9
176.04681	4.4
176.11966	2.2
184.30559	1.7
191.06963	14.1
191.10567	12.0
191.14281	70.3
191.17928	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03953	0.8
55.05506	4.0
57.03424	1.6
57.07063	1.2
67.05500	4.5
69.03424	13.2
69.07056	3.6
69.82965	3.1
77.03893	1.0
77.79861	0.9
79.05489	9.9
81.03416	0.9
81.07042	9.6
83.04963	2.8
91.05470	6.3
93.07037	7.3
95.04970	1.8
95.08574	3.9
98.22991	2.2
103.05450	1.9
105.07018	14.5
107.04926	5.3
107.08582	23.7
109.06486	2.1
109.10141	10.3
115.05414	1.4
117.07020	2.5
118.07858	1.2
119.08550	4.9
121.06511	3.1
121.10135	15.6
122.07279	1.8
123.08109	1.8
123.28357	0.7
126.91189	0.7
131.08549	9.0
133.10117	100.0
134.10460	1.6
135.08057	4.7
135.11703	4.4
137.09587	10.3
143.08543	1.9
145.10120	4.8
147.11667	3.8
149.09608	3.4
149.13254	13.4
153.15424	0.9
158.10825	4.7
163.07544	0.9
163.14799	2.3
173.13242	17.6
176.11966	0.9
191.14290	25.0
192.14732	0.9
199.68346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.54221	0.7
55.01861	2.5
55.05500	6.6
56.96549	0.9
57.03425	1.0
57.07061	2.2
59.05000	1.0
64.04277	0.7
65.03915	1.6
67.05491	6.7
69.03070	1.0
69.03422	15.3
69.07063	11.6
71.04975	1.0
73.21324	0.8
77.03923	1.2
79.05487	9.8
80.05010	0.9
81.07050	10.0
83.04971	11.4
83.08601	3.2
85.06523	1.5
91.05467	13.4
93.07043	12.1
95.04955	9.4
95.08599	12.2
97.06522	5.2
103.05449	7.2
103.49232	0.8
105.03392	0.9
105.04480	1.0
105.07017	17.8
107.04955	4.0
107.08584	33.8
108.08881	1.2
109.06505	6.4
109.10120	3.7
111.08028	1.6
112.26671	0.8
115.05447	1.7
116.06218	2.5
117.06979	5.5
118.04125	1.8
119.04922	0.9
119.08546	11.2
120.08102	1.2
121.06485	13.6
121.10128	26.7
123.08033	3.3
128.06232	1.0
129.06940	4.3
129.78709	1.0
130.07774	2.1
131.04883	5.2
131.08556	17.9
133.02818	1.0
133.06491	2.4
133.09177	1.3
133.10110	15.2
135.08049	17.9
135.11681	5.9
136.08784	0.9
137.09604	1.0
143.08536	6.7
144.09261	1.9
145.06534	1.0
145.10106	14.4
147.08046	2.0
147.11642	11.7
148.05176	2.7
148.08801	3.0
149.09619	10.6
149.13237	8.6
150.10124	0.7
158.10901	9.1
159.04398	1.1
161.09608	3.5
162.10400	1.3
163.07527	5.2
163.11150	2.2
163.14775	4.9
171.11613	1.2
173.09491	1.2
173.11829	1.7
173.13235	21.8
176.04631	2.1
176.11937	1.6
191.06943	6.0
191.10553	3.8
191.14279	100.0
192.14734	1.2
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
51.21781	0.4
53.03936	0.6
55.01856	1.5
55.05301	0.4
55.05513	4.2
57.03430	0.5
57.07056	1.6
60.61183	0.4
65.03940	0.4
66.04708	0.4
67.05501	2.5
69.03423	13.4
69.07058	6.8
71.04975	1.0
79.05479	4.9
79.46051	0.4
81.07049	3.1
83.04974	13.3
83.08627	1.9
85.06528	0.8
89.21883	0.4
91.05467	6.5
93.07047	6.0
95.04964	2.0
95.08598	3.6
97.06506	1.7
103.05460	2.0
105.07019	7.5
107.04938	1.5
107.08582	24.6
109.06520	3.0
109.10142	1.8
111.08044	0.5
115.05418	0.9
117.06993	2.1
118.04190	0.6
119.08569	6.1
121.06493	5.3
121.10141	12.4
123.08058	2.1
129.06992	2.0
129.46652	0.4
130.07721	0.5
131.04897	1.4
131.08557	9.6
133.06503	0.6
133.10123	10.0
135.07031	0.8
135.08035	12.2
135.11682	3.7
136.08812	1.6
137.09557	0.5
143.08546	3.8
144.09288	0.8
145.10132	5.9
147.08026	0.9
147.11661	5.7
148.05174	1.1
148.08841	1.0
149.09587	4.3
149.13243	3.9
158.10875	6.6
161.09583	5.3
163.07506	1.4
163.11180	1.0
163.14828	1.2
173.09587	0.6
173.13252	13.6
176.04741	0.6
176.11989	2.9
191.06912	2.9
191.14290	100.0
192.14680	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01863	2.3
55.05505	11.8
57.07055	2.6
59.05003	1.5
59.89931	1.2
65.03925	1.2
67.05503	11.4
69.03423	46.7
69.07063	15.4
69.39579	2.6
69.39972	2.4
71.04973	1.9
77.03923	1.4
79.05486	65.8
81.07049	58.4
82.07361	1.5
83.04972	17.0
83.08604	4.9
85.06535	4.2
89.27940	1.3
91.05471	31.3
93.07035	29.6
95.04950	12.7
95.08600	12.7
97.06517	4.9
103.05471	7.7
105.04478	3.5
105.06342	2.4
105.07018	33.8
107.04945	42.6
107.05678	2.3
107.08581	98.7
109.06502	11.9
109.10136	16.6
110.07332	1.8
111.08044	2.2
115.05440	2.1
116.06227	1.5
117.07004	7.6
118.04184	1.5
118.07803	1.2
119.06088	1.6
119.08565	14.3
121.06508	17.6
121.10131	31.7
122.07267	4.2
123.08044	4.7
129.06990	3.5
130.07761	1.8
131.04898	6.3
131.08556	25.3
132.05629	1.4
133.06555	2.1
133.10114	97.0
134.10464	2.1
135.08041	22.5
135.11676	11.6
136.08740	2.1
137.09599	24.1
143.08556	6.0
144.09300	1.9
145.10080	18.6
147.08133	1.8
147.11673	10.1
148.05177	2.5
148.08792	1.5
149.09593	10.2
149.13242	20.1
158.10904	9.0
159.08058	4.3
161.09610	4.4
163.07507	7.0
163.11166	4.5
163.14804	6.2
171.11627	1.6
173.09569	3.6
173.13246	32.3
176.04659	3.4
176.11855	1.7
191.07004	9.4
191.10635	12.6
191.14285	100.0
191.17935	3.6
192.14662	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0766
Annotation	Carbendazim
Peak:m/z	Relative Intensity
52.29641	0.1
53.87102	0.1
55.01862	0.1
60.71598	0.1
63.03192	0.1
65.03919	0.3
68.87640	0.1
71.43507	0.1
72.15093	0.1
73.66043	0.1
79.05480	0.5
81.49502	0.1
91.05472	0.5
92.04987	0.3
94.07347	0.1
95.04932	0.2
101.49443	0.1
103.05440	0.7
104.44334	0.1
105.04485	0.2
105.07018	3.8
106.07323	0.1
107.04923	0.2
107.08559	0.2
115.05431	0.9
118.04143	0.4
119.08549	0.2
120.20312	0.1
131.04941	0.1
131.08549	0.2
132.05563	3.0
132.08894	0.5
133.06467	2.9
133.10097	0.5
135.05521	0.5
143.06056	0.3
147.11711	0.2
159.02451	0.1
159.04074	0.1
160.05043	100.0
161.05835	2.0
183.74733	0.1
192.07663	18.4
192.13672	0.3
193.04832	0.2
193.08369	0.4
213.86607	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	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.67202	1.7
55.01858	4.4
79.05485	16.7
81.07036	2.7
90.04694	4.0
91.05451	5.1
94.71708	1.7
95.04951	5.3
98.22814	10.4
98.23509	4.3
103.05447	13.2
103.63913	1.7
104.06227	7.0
105.07021	100.0
106.07338	3.2
107.04940	3.3
115.05437	19.1
118.04150	22.1
119.08527	2.0
124.05220	2.3
131.04863	5.6
132.05724	2.6
133.06479	88.9
133.10088	2.3
134.06834	2.5
135.04399	2.5
137.05965	2.9
138.89635	1.9
142.07805	1.8
143.05977	5.7
149.02309	5.8
149.05949	2.8
150.06708	4.1
161.05957	57.4
162.06464	2.5
165.09064	3.3
178.06311	2.4
193.04922	5.6
193.08551	71.1
194.15385	11.5
202.34227	1.9
213.92218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.16883	0.5
53.03947	0.7
55.01866	3.9
58.54608	0.5
65.28163	0.5
67.05482	0.7
69.65297	2.1
76.00468	0.5
77.03931	0.9
79.05480	12.1
90.04672	1.9
90.75648	0.5
91.05464	2.6
93.07080	0.7
95.04970	2.9
98.23096	1.5
103.05452	15.6
104.06265	0.7
105.07014	100.0
106.07361	1.1
107.04967	0.8
115.05434	22.2
118.04144	12.1
119.08607	0.6
124.36694	0.5
126.37268	0.6
131.04912	3.8
132.05692	1.3
133.06470	85.3
134.06799	2.6
137.05954	0.6
143.04889	1.6
143.05981	8.5
149.05898	0.8
161.05951	85.7
162.06337	2.6
178.06238	0.9
193.08563	11.6
193.10156	0.9
194.15376	1.2
208.58644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01626	0.5
55.01861	3.5
55.05497	0.8
62.90442	0.5
65.03920	0.6
74.70726	0.5
77.03930	1.6
79.05491	12.8
81.07047	0.6
89.03907	0.8
90.04694	2.3
91.05468	3.3
95.04967	2.6
103.05456	16.7
104.06284	0.7
105.07021	100.0
106.07343	1.7
107.04942	1.0
107.08559	0.6
115.05442	24.0
118.04147	13.0
119.08603	0.6
131.04910	4.5
132.05705	1.4
133.06477	79.2
133.10030	1.2
134.06776	1.3
135.11615	0.5
143.04979	1.1
143.06024	8.6
149.05963	1.5
161.05965	74.3
161.93434	0.5
162.06290	1.7
175.11269	0.7
178.06256	0.6
193.04903	1.2
193.08556	6.6
193.15729	0.6
194.15331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05503	0.8
67.05498	1.9
68.11727	0.4
69.00485	0.4
69.07059	0.6
70.55874	0.9
77.03929	1.5
79.05486	12.4
81.03402	0.8
81.07058	1.1
85.06512	0.5
87.30175	0.5
89.03918	0.7
90.04678	2.2
91.05476	9.0
93.07050	1.6
95.04971	3.7
95.08605	1.1
96.03599	0.5
103.05463	17.2
104.06290	0.7
105.07022	100.0
106.07355	1.5
107.04935	0.5
107.08584	1.4
109.06511	0.9
109.10130	1.1
111.02094	0.4
112.73280	0.5
115.04635	1.0
115.05450	20.7
118.04150	12.0
119.08578	1.9
120.51569	0.5
129.07072	0.7
131.04893	2.9
131.08510	2.5
132.05696	1.9
133.06482	76.4
133.10115	26.5
134.06850	1.4
134.10497	1.2
135.08002	0.6
135.11707	0.6
137.06018	0.6
137.09581	1.1
143.04906	1.4
143.06010	7.8
146.03534	0.5
147.04414	0.5
147.07991	0.4
147.11670	1.9
149.05981	1.3
160.05144	1.1
161.05974	72.1
162.06361	1.7
175.11183	1.7
182.41692	0.5
193.05043	0.8
193.08571	9.0
193.12143	2.5
193.15919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
52.51271	0.4
53.03920	0.6
55.01865	3.8
55.05505	0.6
57.47717	0.5
57.95442	0.5
67.05494	3.7
69.03423	0.5
69.07040	0.6
69.60174	1.9
77.03909	0.8
77.31023	0.5
78.04704	1.1
79.05482	13.9
81.02954	0.8
81.03409	11.3
81.07053	1.5
83.04971	0.6
83.08633	0.9
90.04681	1.5
91.05467	4.3
93.07025	1.5
95.04955	6.7
95.08605	0.9
103.05456	13.2
104.06247	6.0
105.07018	81.5
106.07365	1.4
107.04946	2.1
109.06514	0.8
114.27348	0.5
115.05443	16.7
118.04140	8.4
119.08566	1.4
121.10161	0.8
129.06984	1.1
131.04921	4.6
131.08469	0.8
132.05701	6.4
133.06476	72.6
134.06825	1.0
137.05997	1.1
143.04968	1.0
143.06036	6.7
147.04369	0.7
147.11711	0.7
149.05977	3.2
150.06734	0.9
160.05176	3.4
161.05960	56.3
162.06374	1.4
165.09094	0.5
175.11145	0.9
178.06256	3.9
193.08577	100.0
194.08908	2.5
194.15359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
53.03942	1.6
55.01876	5.0
55.05508	4.3
57.03424	1.8
58.78966	0.7
62.21315	0.7
64.32691	0.7
65.03947	1.8
67.05502	6.2
69.03429	1.6
69.07059	2.9
69.11964	3.4
69.12365	1.4
71.04997	1.6
75.04460	0.8
77.03905	3.4
78.04675	0.8
79.05488	30.0
81.03410	12.7
81.07045	6.3
83.04964	3.0
83.08595	1.6
85.02904	0.8
90.04704	3.4
91.05467	22.4
92.06260	3.1
93.07043	4.4
94.04178	2.0
95.04961	12.5
95.08593	1.6
99.08096	2.0
103.05462	25.4
104.06273	4.4
105.03395	2.5
105.04509	2.1
105.07021	100.0
106.07354	2.0
107.04945	13.0
107.08569	4.9
108.05753	1.2
109.02863	1.4
109.06490	5.4
109.10187	3.7
111.04399	0.7
115.04662	0.9
115.05439	13.8
117.07014	2.4
118.03326	1.6
118.04149	26.3
119.04952	5.2
119.08572	6.6
120.04960	0.8
120.05701	5.1
121.06495	10.4
121.10111	1.3
122.03621	1.1
122.07291	6.2
123.04406	1.7
123.08082	1.2
123.11713	1.5
124.05205	3.1
129.07010	1.6
131.04933	6.2
131.08530	1.5
132.05701	4.3
133.06480	87.9
133.10109	12.0
134.07339	4.1
135.04408	9.4
135.08038	8.5
135.11642	1.7
137.05975	14.0
137.09578	2.6
143.04926	1.7
143.06020	3.5
146.03644	1.6
147.04364	3.6
147.08060	1.8
147.11687	5.0
148.05174	2.7
149.05960	12.0
150.06740	32.3
151.03877	4.9
151.07462	2.2
151.11198	1.5
157.10143	1.5
160.05298	1.1
161.05974	36.2
162.06557	0.8
163.03900	1.4
163.07521	1.0
165.05440	0.9
165.09102	25.9
175.03864	1.0
175.07552	2.2
175.11145	2.5
175.14827	2.4
177.05457	1.5
178.06227	6.0
193.04936	6.3
193.08582	69.3
193.12169	4.1
193.15924	4.4
194.08914	1.3
194.15395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.75800	0.7
53.03933	1.9
55.01863	4.9
55.05500	3.5
57.03437	2.2
65.03940	4.1
66.04714	1.6
66.62143	0.7
67.05497	5.7
69.07043	2.3
69.27143	2.7
71.04971	1.4
75.04483	0.9
77.03914	3.0
78.04715	1.4
79.05489	39.8
80.90581	0.7
81.03397	4.4
81.07050	6.6
83.04960	3.4
83.08594	1.2
85.06515	0.9
90.04691	5.8
91.05476	27.7
92.06267	3.9
92.31279	0.8
93.07040	8.0
93.24998	0.7
93.91378	0.7
94.04168	2.5
95.04966	11.2
95.08605	3.7
95.21949	0.9
97.06511	1.8
103.05462	29.1
104.06257	3.9
105.03394	2.2
105.04499	3.1
105.07021	100.0
106.07377	1.3
107.04943	17.4
107.08572	5.8
109.02853	1.3
109.06503	7.5
109.10150	4.7
115.05444	10.7
117.07018	2.0
118.04153	35.5
119.04961	8.4
119.08562	8.4
120.05708	8.8
121.06500	12.0
121.10151	2.4
122.03617	1.9
122.07297	10.9
123.04393	1.0
123.08073	2.6
123.11687	1.2
124.05210	4.8
129.06989	1.1
131.04932	4.8
131.08577	2.3
132.05734	4.2
133.06482	82.4
133.10097	9.9
134.07310	5.0
135.04407	14.7
135.08054	13.8
135.11650	3.7
137.05966	14.5
137.09596	2.9
143.05997	2.0
145.06418	1.1
146.03587	2.3
147.04399	3.5
147.08037	2.8
147.11690	4.9
148.05162	4.0
149.02266	1.0
149.05972	16.1
150.06754	41.4
151.03918	1.0
151.07500	2.0
151.11153	1.3
151.46706	0.9
157.10112	1.3
161.05971	20.5
163.03743	1.3
163.07510	1.7
165.09102	41.1
175.07529	1.2
175.11156	2.6
175.14864	4.6
177.05455	1.3
178.06273	5.9
179.03389	1.3
187.11784	0.8
193.04933	2.5
193.08585	58.9
193.12131	3.8
193.15858	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	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.96202	1.2
53.03940	5.2
55.01871	5.7
55.05505	10.9
57.03432	60.1
57.07040	1.3
65.03922	2.8
66.77032	1.2
67.05499	32.3
69.03431	4.9
69.07061	3.6
71.01182	2.0
71.04981	3.8
77.03941	3.1
79.05482	20.9
81.03410	100.0
81.07050	16.9
83.04973	5.4
83.08614	9.8
85.06536	5.1
91.05473	49.7
91.06057	1.8
93.07037	37.3
95.04962	46.3
95.08595	5.3
97.02907	2.8
97.06531	5.9
103.05465	3.7
105.04482	2.5
105.07020	47.5
105.07731	2.5
107.04937	7.1
107.08597	7.0
109.06512	6.6
109.10140	11.0
111.04440	1.9
111.08056	2.5
115.05451	2.1
117.07030	5.7
119.04933	3.2
119.08572	63.5
120.08943	1.4
121.06503	34.6
121.10140	4.4
123.04431	1.5
123.08067	2.0
129.06969	11.1
131.08578	9.6
133.06491	7.7
133.10115	40.2
135.08047	5.2
135.11685	2.1
137.09604	28.4
139.72006	1.4
141.06914	1.6
142.07771	6.8
145.06493	2.2
145.10103	2.4
146.07266	4.4
147.08064	10.1
147.11665	33.6
149.09628	3.5
155.78940	1.3
157.10103	12.4
160.08876	4.6
165.12720	4.4
175.11165	39.1
175.12633	2.5
175.14816	1.6
193.12241	22.6
193.15938	1.7
194.15390	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03940	4.5
55.01863	4.0
55.05508	9.6
56.52745	0.5
57.03430	3.2
57.20489	0.4
65.03944	2.6
67.05498	27.6
68.05821	0.5
69.03414	3.5
69.07063	3.4
71.01343	0.7
71.04986	2.9
71.43446	0.5
77.03925	0.7
79.05489	21.1
81.03409	100.0
81.07048	15.1
82.03751	0.9
83.04968	5.8
83.08613	11.3
85.06527	1.2
91.05471	27.6
91.41706	0.5
92.05843	0.5
93.07034	13.0
95.04958	45.6
95.08597	3.4
96.05308	0.8
97.02877	3.6
97.06511	2.1
97.10163	1.1
99.08070	0.6
103.05453	1.3
105.04494	1.1
105.07019	20.1
107.04940	8.8
107.08571	4.3
107.24287	0.5
109.06506	5.8
109.10166	1.8
111.04395	2.8
111.08083	2.3
113.06043	0.8
115.05443	2.8
115.77612	0.5
116.06118	0.7
117.07016	2.0
119.04923	1.3
119.08569	12.9
119.09413	0.6
121.06514	3.0
121.10137	4.7
121.13497	0.5
123.04407	3.5
123.08039	1.5
128.06239	1.0
129.06992	10.6
131.08548	9.4
133.06480	5.5
133.10114	13.4
135.08003	0.7
135.11699	1.4
137.09590	1.6
142.07753	3.5
145.10101	1.1
147.08040	6.4
147.11664	8.2
149.09602	6.5
151.11197	0.6
157.10117	8.5
161.05963	1.3
165.12721	1.6
175.11156	10.1
175.14844	0.9
193.05042	0.6
193.08467	1.1
193.12213	27.7
193.15871	1.4
194.12633	1.0
194.15393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03940	2.0
55.05504	26.8
57.03395	2.2
57.07057	7.8
59.04965	3.6
67.05499	25.1
69.03432	12.1
69.07053	21.1
71.04978	5.2
79.05467	9.4
81.07043	29.7
83.04965	17.6
83.08598	12.7
85.06516	4.3
86.76447	2.4
91.05456	16.1
92.18363	2.2
93.07034	26.1
95.04985	2.9
95.08591	66.9
97.06502	4.5
99.08086	5.6
103.05406	2.9
105.07022	23.1
107.08577	59.5
109.06492	20.2
109.10139	94.3
111.08083	9.5
119.06087	2.4
119.07745	3.7
119.08570	64.4
119.09418	3.8
121.10124	39.9
123.07144	3.4
123.08044	52.0
123.11727	10.3
133.10106	54.3
135.11673	100.0
137.08560	3.4
137.09578	33.1
138.10388	3.5
147.11670	4.6
149.13234	20.3
150.10481	2.2
151.11107	13.0
151.14795	9.4
152.24474	2.0
160.12483	2.3
175.14809	54.0
175.16318	3.4
176.15201	2.5
193.15860	85.3
194.16206	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	5.7
55.01866	8.2
55.05504	63.2
56.14573	1.6
57.03428	9.2
57.07056	7.6
59.04984	5.4
59.12226	1.7
59.29056	1.9
60.57586	1.9
62.68776	1.5
65.03935	3.8
67.05497	63.1
69.03419	19.1
69.07064	26.9
71.02197	2.6
71.04967	5.9
79.05485	45.9
81.03407	57.0
81.07049	63.1
82.07345	1.7
83.04466	2.5
83.04971	52.1
83.08620	16.8
85.06530	5.4
88.78314	2.2
91.05468	48.5
93.07035	32.1
95.04963	32.8
95.08595	41.4
97.02845	2.4
97.06501	5.8
97.10115	2.8
99.08089	2.2
103.05461	9.7
104.06224	3.0
105.04507	1.9
105.07016	81.7
107.04949	6.2
107.08581	29.7
109.06495	17.0
109.10144	66.9
111.08084	4.9
115.05444	11.9
117.06992	3.8
118.04167	3.9
119.08566	90.7
121.06474	3.4
121.10133	14.8
123.08059	16.8
123.11676	7.4
125.09620	2.0
129.06998	11.4
131.04926	2.7
131.08530	11.0
132.05624	1.9
133.06476	32.5
133.07391	3.0
133.10109	100.0
134.10600	2.0
135.11671	35.8
137.05925	3.6
137.09592	23.8
143.05991	2.5
145.10109	6.5
147.04372	2.0
147.08003	4.6
147.10550	3.6
147.11661	38.5
148.12053	2.1
149.05879	2.4
149.09587	6.8
149.13206	8.4
150.06712	2.2
151.11168	6.9
151.14799	5.0
157.10098	11.9
157.17041	2.1
160.12503	2.7
161.05960	27.8
165.05461	2.3
165.12665	2.6
165.16344	2.2
173.13173	2.4
173.37505	1.9
175.11198	15.3
175.14798	98.4
176.15211	2.3
178.07703	2.6
193.04919	6.0
193.08549	22.5
193.10104	3.7
193.12189	20.3
193.15862	43.3
194.15347	4.1
198.85632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03935	2.6
55.01860	2.6
55.05506	38.2
56.45008	0.7
57.05413	0.7
57.07067	3.1
65.03928	0.8
67.05495	15.8
69.03422	2.5
69.07065	17.4
70.70972	0.8
71.04984	2.7
79.05486	14.8
80.09136	0.7
80.16369	0.7
81.03414	1.4
81.06555	1.3
81.07050	44.6
83.04973	100.0
83.08612	3.8
85.06535	2.3
91.05473	6.3
93.07029	13.1
95.04953	5.1
95.08595	16.8
97.06513	3.1
97.10181	1.0
103.05466	1.7
105.07024	15.1
107.08585	13.9
109.06506	9.7
109.10147	23.3
111.08080	5.8
111.11734	2.9
115.05431	2.3
118.04183	1.1
119.08576	13.7
121.10162	5.6
123.08066	8.4
123.11697	6.1
125.09595	1.8
131.08563	1.6
133.06479	8.4
133.10114	13.7
135.11662	12.9
137.05997	1.4
137.09598	18.1
138.10051	0.9
147.11702	2.6
149.13231	2.2
150.06731	0.9
151.11185	2.9
151.14793	0.8
161.06027	6.8
175.14795	14.4
193.08514	4.0
193.12155	1.2
193.15868	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03939	2.3
55.05503	47.8
57.03428	6.6
57.07087	4.4
59.04975	2.9
67.05158	2.9
67.05493	35.6
69.07053	25.1
69.10358	15.0
72.00862	1.9
75.67217	1.7
77.84980	1.6
79.05474	14.6
81.03353	1.9
81.06617	3.5
81.07047	34.6
83.04970	46.7
83.08604	6.4
85.06538	2.2
91.05470	81.9
93.07034	17.4
95.04983	3.7
95.08597	32.7
97.06507	3.4
103.05449	2.3
105.07014	25.9
107.08575	17.0
109.06498	7.0
109.10134	46.3
111.08056	2.9
117.07011	2.1
119.08569	66.2
119.09420	3.5
121.10123	8.9
123.08066	9.9
123.11697	4.8
128.18494	1.9
131.08542	3.6
133.06476	3.8
133.10106	83.1
135.11674	27.0
137.09589	17.0
145.10121	6.8
147.11670	19.6
149.02373	3.5
149.13248	9.8
151.14847	4.7
160.12434	3.2
175.14799	100.0
175.49242	2.1
176.15237	2.7
193.08571	2.5
193.15863	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0287
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
53.03928	0.2
55.01860	0.5
55.05494	0.2
55.57990	0.2
56.07512	0.2
57.03434	0.2
59.80482	0.1
62.62801	0.1
63.15145	0.1
65.03934	2.2
67.01840	0.4
67.05480	0.4
68.96320	0.2
68.99777	2.1
69.03433	0.8
69.07047	0.3
71.01335	0.2
71.41830	0.2
72.18376	0.2
79.05480	2.4
81.03392	0.5
81.07038	0.6
83.04973	0.4
85.02872	0.3
89.03909	0.5
91.05463	1.5
93.03373	0.9
93.07032	0.6
95.04941	1.3
95.08575	0.3
97.02874	0.6
103.05469	1.6
105.03396	0.3
105.04521	0.3
105.07009	1.6
106.04177	0.3
107.04939	12.3
107.08569	0.5
109.02901	0.2
109.06535	0.3
110.03638	0.5
111.04419	1.7
115.05434	0.8
117.03359	0.5
117.07006	0.5
119.04928	0.3
119.08575	0.2
120.05746	0.3
121.02856	3.6
121.03834	0.2
121.06480	0.5
121.10110	0.2
123.04394	0.2
124.05246	0.2
125.02360	0.8
125.05958	0.6
127.03902	1.8
127.99923	0.2
130.96312	0.4
131.04889	0.3
131.08577	0.2
133.02856	0.6
134.03638	0.3
135.04405	1.4
135.08031	3.1
135.11685	0.2
137.05991	0.2
137.09605	0.3
138.03094	0.6
139.03864	0.8
145.02826	0.7
145.07516	0.2
147.04411	0.5
147.08005	0.2
148.07565	0.2
148.97331	0.5
149.02330	1.8
149.05974	1.2
149.09575	0.2
151.03848	0.5
151.07495	0.5
152.07016	0.2
153.01819	1.4
153.05418	0.5
154.06187	0.7
159.11658	0.2
163.03824	0.6
163.06174	0.4
163.07520	4.8
165.05446	0.5
167.03375	0.9
167.07016	3.8
167.08318	0.3
171.02844	2.8
171.98886	0.2
174.37024	0.2
177.01793	0.7
177.05431	0.9
177.08984	0.2
177.12636	0.3
180.07813	0.9
194.08290	0.2
194.11844	0.2
194.15382	1.7
195.02859	100.0
195.10046	3.0
195.15742	0.4
196.03214	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	195.1013
Annotation	Zingerone
Peak:m/z	Relative Intensity
53.08205	0.4
55.01850	1.3
55.05497	1.5
57.00227	0.4
57.03429	0.9
64.89125	0.4
65.03928	1.8
67.05499	7.3
69.03412	0.7
69.07079	0.4
69.48351	1.6
71.04963	0.8
77.03912	0.9
78.04704	0.7
79.05042	0.7
79.05486	11.7
80.06240	0.7
81.03409	1.0
81.07053	2.2
81.70856	0.4
83.04987	0.5
83.55112	0.4
85.73833	0.4
91.05471	27.4
92.05800	0.5
93.07034	12.0
95.04965	4.7
95.08582	2.7
97.06505	0.5
97.47429	0.4
98.23210	1.5
103.05444	1.0
105.04507	1.4
105.07031	2.6
107.04935	4.4
107.07915	0.6
107.08585	6.4
108.05734	7.5
109.02816	0.4
109.06494	3.8
111.04427	0.6
115.05448	4.4
116.06197	0.9
117.07008	8.8
119.04934	12.4
119.08571	1.0
121.06500	10.3
121.10065	0.7
123.08059	21.7
125.05994	1.1
133.06459	0.8
134.07249	1.4
135.04411	1.0
135.08038	6.5
135.11671	0.7
136.05177	5.2
137.05940	0.8
139.07556	0.8
145.06459	3.2
149.05949	1.1
149.09593	3.7
151.07523	100.0
152.06181	1.5
152.07889	1.3
159.11610	0.7
163.03876	0.7
163.07538	1.7
165.06987	1.3
166.07732	0.5
167.07092	0.8
167.08531	3.4
167.10648	0.8
176.06169	0.5
177.06873	0.8
177.09099	3.5
194.07315	0.5
194.15422	0.5
195.02899	0.9
195.08052	6.1
195.10149	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	ethyl 2-hydroxy-3-phenylpropanoate
Peak:m/z	Relative Intensity
52.29756	0.5
53.03931	0.9
55.01857	1.8
55.05494	1.4
58.27948	0.5
64.06010	0.6
65.03931	2.1
67.05494	6.4
69.03427	1.3
77.03918	1.5
78.04683	0.5
79.05484	11.7
80.06251	1.5
81.07040	2.5
91.05470	31.1
93.07032	12.3
95.04955	4.6
95.08595	3.0
97.06506	0.8
103.05466	1.2
105.04508	1.5
105.07034	2.7
107.04945	8.2
107.08587	6.7
108.05731	9.3
109.06522	4.2
111.08068	0.6
114.51846	0.6
115.05428	5.6
116.06276	1.0
117.06188	0.6
117.07014	10.3
119.04932	15.1
119.08546	1.6
121.06488	10.7
123.08054	26.7
124.05200	0.5
125.06023	0.7
133.06464	1.3
134.07243	1.7
134.61740	0.6
135.04399	1.1
135.08025	6.7
136.05173	5.7
136.06097	0.8
137.05943	0.8
139.07523	1.0
145.06516	2.7
147.04457	0.6
149.05922	1.5
149.09578	4.3
151.07520	100.0
152.06157	1.9
152.07887	1.8
155.05989	0.6
161.97884	0.5
163.07518	2.7
165.06953	1.4
167.07039	2.2
167.08548	3.4
167.10660	0.8
177.09120	2.9
182.43707	0.6
194.15388	1.1
195.02870	0.9
195.06624	0.7
195.08051	5.9
195.10144	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	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.36908	0.4
53.03937	0.9
55.01868	1.8
55.05510	0.9
57.03424	0.6
59.49510	0.5
65.03915	0.8
67.05494	1.1
68.90794	0.5
70.69777	0.8
77.03918	1.9
78.04728	0.7
79.05489	12.6
80.05799	0.7
81.03437	0.8
81.07040	1.7
83.04971	1.8
84.05302	0.9
86.84886	0.5
87.29417	0.5
91.05469	8.4
92.06263	0.5
93.07038	1.9
95.04962	6.3
95.08601	0.9
103.04772	0.6
103.05459	11.1
105.04499	1.6
105.07014	11.0
107.04944	100.0
107.08583	2.2
108.05244	1.3
109.06495	0.9
110.03670	0.5
111.04408	0.8
114.83479	0.6
115.05430	7.7
117.06998	2.7
119.04924	1.9
120.05708	3.3
121.06487	1.2
122.03606	0.6
123.04408	2.0
124.05240	2.9
125.05965	1.9
130.96286	0.6
131.04907	2.0
133.06517	1.4
134.03563	0.6
134.07211	0.6
135.04436	0.9
135.08038	26.3
136.08304	0.6
137.05978	1.5
139.03883	2.0
145.07559	2.6
147.04407	3.4
148.05162	1.1
148.97214	0.6
149.06009	0.9
149.09581	0.7
150.56944	0.5
151.03911	1.5
151.07564	0.5
152.04639	1.1
153.05498	0.8
154.06216	5.1
159.11646	0.5
161.05968	0.6
163.07526	37.5
164.07942	0.9
165.05452	1.5
167.07025	34.1
168.07376	0.9
177.05440	0.7
180.06393	0.7
180.07811	7.8
194.15405	1.2
195.02887	3.8
195.10147	26.5
195.15750	0.7
197.48119	0.5
200.19434	0.6
206.86220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Nectriapyrone
Peak:m/z	Relative Intensity
53.03937	0.8
55.01852	1.2
55.05508	4.6
57.03426	0.8
59.05001	0.6
64.17259	0.3
65.03936	1.0
67.05502	9.9
68.99796	0.5
69.03429	0.6
69.07066	3.2
69.11691	2.1
71.01315	0.4
71.04971	1.3
71.42893	0.3
73.02927	0.3
73.81937	0.3
77.03915	0.9
79.05039	0.6
79.05490	11.5
80.16982	0.3
81.03038	0.2
81.03410	2.2
81.07054	13.0
81.42042	0.3
83.01340	4.1
83.04975	8.7
83.08622	1.6
85.06541	0.8
86.74358	0.3
91.05477	17.5
92.05766	0.4
92.06284	0.5
93.07042	10.8
95.04955	3.1
95.08602	5.4
96.63642	0.3
97.06522	1.7
99.08038	0.5
103.05482	2.0
104.06245	1.2
105.04525	0.8
105.07024	5.3
107.04925	1.2
107.08591	12.5
109.06492	1.8
109.10139	2.6
111.04427	0.7
111.08054	0.9
115.05453	2.0
116.06255	0.4
117.07014	6.8
119.06033	0.8
119.08586	3.4
121.06493	1.6
121.10131	1.3
123.08084	0.5
123.11623	0.3
123.53316	0.3
125.09589	0.5
131.08556	2.4
133.10112	3.6
134.07243	0.7
135.08046	6.8
135.11658	4.0
136.08766	0.4
139.07507	0.3
139.11182	3.2
143.78912	0.3
147.07040	0.3
147.08029	2.3
148.97276	0.3
149.09554	1.8
149.13235	2.3
151.11130	0.7
152.08344	0.6
153.09135	0.4
159.11662	2.3
163.07541	5.4
167.10649	0.9
177.09099	11.1
177.12698	1.2
178.09323	0.3
188.47110	0.3
194.15408	0.9
195.10155	100.0
195.13803	2.8
196.10437	2.4
196.16968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.94323	0.7
53.03944	3.8
55.01866	2.9
55.05505	20.8
57.03434	5.2
57.07075	1.9
65.03937	2.7
65.34270	0.7
67.05497	67.4
69.03429	1.7
69.07060	15.8
69.07401	1.5
69.24059	0.8
70.54231	1.4
71.01348	2.2
71.04979	6.8
73.11830	0.7
77.03935	2.2
79.05483	45.2
80.05820	0.8
81.03407	15.7
81.07047	100.0
82.07429	0.8
82.56092	0.8
83.04967	11.0
83.08609	10.3
85.06539	4.4
91.05470	44.4
92.05777	0.8
93.07033	59.2
95.04950	8.9
95.08595	32.7
95.09209	1.3
97.06516	12.0
97.10133	1.3
99.08078	1.2
103.93546	0.8
105.04521	2.6
105.07020	13.5
105.60370	0.8
107.04966	2.8
107.08585	25.1
109.06480	1.9
109.10143	2.0
111.08070	4.4
113.05920	1.1
115.05462	1.1
117.07001	11.6
118.12471	0.8
119.08584	2.9
121.06498	6.4
121.10114	9.4
123.08112	1.1
123.11707	3.2
128.26329	0.8
131.08557	13.6
133.10112	28.0
135.08076	3.5
135.11676	29.0
144.09372	1.1
148.97346	1.3
149.09656	1.1
149.13235	16.4
151.11163	3.3
159.11671	12.4
161.18266	0.8
177.12721	7.4
195.13791	13.9
195.15541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.83478	1.7
53.03943	5.8
55.01880	4.8
55.05507	23.8
57.03430	6.3
57.07057	1.9
58.22472	1.6
65.03950	2.3
66.67916	1.7
67.05500	76.5
69.07063	16.2
69.36308	5.2
69.36725	4.7
71.04996	9.0
79.05488	62.2
81.03414	30.6
81.07052	100.0
83.04976	35.4
83.08606	11.5
85.06539	4.1
89.06037	3.6
91.05470	41.0
91.06046	2.0
93.07035	76.0
95.04958	14.1
95.08597	48.5
95.82441	2.4
97.06525	18.9
99.08659	1.8
105.04535	5.1
105.07011	16.9
107.04961	2.9
107.08585	31.9
109.06503	5.6
109.10138	4.5
111.08054	10.1
115.05460	2.0
117.07011	18.6
119.08557	5.5
121.06525	7.7
121.10119	12.2
123.08060	2.8
131.08562	19.2
133.10127	21.5
135.08037	5.4
135.11694	30.4
139.25560	1.7
149.13239	15.0
151.11162	3.4
159.11685	20.0
162.87608	1.7
177.12724	14.6
185.59256	1.9
186.77109	2.1
195.13821	23.4
195.15636	4.3
196.16898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	3.3
55.01857	2.4
55.05504	20.5
57.03427	6.5
57.07055	2.2
59.04987	0.8
59.43204	0.7
65.03933	2.6
67.05495	64.9
68.96333	0.8
69.03408	2.3
69.07058	18.3
69.09541	1.7
69.09949	3.1
71.01343	2.7
71.04987	6.8
71.77516	0.7
73.02921	1.2
77.03918	1.9
79.05480	44.9
81.03405	16.9
81.07044	100.0
82.07373	1.0
83.04967	12.6
83.08601	11.8
85.06556	4.3
87.04478	1.0
91.05466	41.4
92.05771	0.8
93.07031	66.2
95.04947	9.1
95.08590	35.1
97.06525	12.0
97.10138	1.7
99.08069	1.3
103.05399	0.8
105.04505	2.2
105.07017	12.5
107.04956	2.9
107.08580	30.5
109.06521	4.2
109.10155	3.5
111.08075	4.8
113.09681	0.9
115.05444	1.0
117.07004	13.6
119.08537	3.7
121.06492	6.8
121.10123	10.7
123.11694	3.2
129.07001	1.4
131.08554	14.5
133.10112	30.0
134.10471	0.8
135.08070	3.9
135.11671	32.3
136.12041	1.2
139.11195	1.0
148.97441	0.8
149.09581	1.4
149.13239	15.9
151.11162	2.9
153.97903	0.8
159.11662	15.8
177.12720	10.2
178.13069	0.9
195.13779	18.5
195.15590	1.5
202.92903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Clavularin A
Peak:m/z	Relative Intensity
55.01856	10.2
55.05500	15.0
57.03437	37.7
57.07067	7.1
67.05502	41.4
69.07059	57.8
70.80094	4.9
71.71083	5.2
79.05499	31.2
81.03414	10.5
81.07050	40.1
83.04974	10.7
85.06509	6.8
89.06022	5.4
91.05469	17.3
93.07023	48.5
95.04960	9.1
95.08605	28.7
97.06510	24.5
99.08081	5.2
102.83643	4.5
105.07011	11.4
107.04961	5.2
107.08585	23.1
109.06468	6.4
109.10141	7.8
113.89423	4.8
117.07007	7.8
119.08559	6.6
121.06493	5.5
121.10173	7.4
123.08060	100.0
131.08548	6.0
135.11711	10.5
148.97374	7.2
149.13231	9.6
153.97794	4.6
159.11752	6.1
165.95930	5.4
172.99750	4.9
177.12749	7.1
180.09390	6.3
195.11719	5.7
195.13762	13.8
195.15668	11.2
196.17014	9.2
205.73781	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.40324	0.7
53.03946	2.5
55.01874	2.3
55.05509	11.4
57.03425	2.2
65.03927	1.7
65.22966	0.7
67.05501	48.2
67.81985	0.8
69.03411	0.8
69.07060	10.9
71.01346	1.1
71.04984	3.8
73.02888	0.8
77.03925	1.7
79.05037	1.8
79.05490	30.0
79.70348	0.7
81.03416	5.7
81.07051	100.0
83.04982	7.7
83.08617	6.2
85.06535	3.4
87.04444	1.1
89.06015	1.5
89.47131	0.8
91.05476	20.4
92.05787	0.8
93.07041	53.2
94.07375	1.1
95.04966	6.6
95.08600	36.7
97.06510	8.0
99.08136	1.0
105.04526	1.1
105.07018	7.4
107.08589	23.3
109.06512	3.0
109.10151	2.7
111.04452	0.9
111.08092	4.4
113.05908	1.1
113.09591	0.8
117.07020	6.3
119.08607	2.2
121.06537	4.3
121.10133	7.5
123.11709	1.2
130.96297	1.0
131.08569	9.5
131.83098	0.7
133.10117	13.4
135.08066	2.9
135.11682	35.7
136.12091	0.9
136.84987	0.6
140.91400	0.7
148.97354	1.3
149.13260	15.0
151.11169	1.2
153.09128	1.3
159.11687	14.1
165.30019	0.7
171.98978	1.3
177.12735	12.0
195.07915	1.9
195.11795	1.3
195.13809	11.3
195.15698	3.4
196.17046	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	5.1
55.01855	4.2
55.05510	23.0
57.03434	7.4
57.07065	3.0
65.03916	3.2
65.87947	1.9
67.05497	89.5
69.07067	19.6
69.70454	6.5
71.04981	6.9
79.05483	61.9
79.05946	3.2
81.03421	16.5
81.07047	100.0
83.04976	39.5
83.08623	8.6
85.06527	2.9
89.06012	9.5
91.05464	41.7
93.07033	91.9
95.04958	22.5
95.08592	54.0
97.06512	19.1
98.23133	7.4
100.02464	3.4
105.04516	2.8
105.07039	15.2
107.04978	3.1
107.08578	26.3
109.06508	8.6
109.10172	3.4
111.08076	5.1
117.07008	19.1
119.08581	5.4
121.06499	10.7
121.10156	9.9
123.08082	4.5
131.08525	18.5
133.08565	2.6
133.10106	19.6
135.08064	5.5
135.11682	31.1
147.11610	2.3
148.97397	2.9
149.13245	19.1
149.97238	4.5
159.11681	24.4
160.12100	2.7
168.77803	2.1
171.98915	3.0
173.60304	2.1
177.12706	16.0
195.11853	4.2
195.13794	26.0
195.15700	9.7
196.17070	2.4
206.46065	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.21614	1.0
53.03939	1.4
55.01868	2.3
55.05507	12.5
57.03427	2.9
57.07056	1.2
65.03925	1.8
67.05500	53.4
68.96326	1.2
69.07062	9.8
71.04987	3.8
77.03909	1.4
78.88332	1.0
79.05040	2.1
79.05489	33.1
81.03422	7.6
81.07051	100.0
82.07355	1.3
83.04970	8.7
83.08620	6.9
85.06535	4.2
89.06015	2.0
91.05470	18.2
93.07039	53.7
95.04964	5.9
95.08600	42.3
95.09212	1.7
97.06529	9.2
105.04545	1.7
105.07018	9.9
107.04982	1.8
107.07839	1.4
107.08582	26.3
109.06504	3.3
109.10130	2.5
111.08075	4.1
112.27596	1.0
117.06989	6.7
119.08577	3.1
121.06483	4.7
121.10109	7.4
129.06937	1.1
130.96397	1.4
131.08553	8.8
131.96136	1.3
133.10120	12.8
135.08058	4.4
135.11681	37.8
148.97365	1.8
149.09608	1.5
149.13251	19.2
149.97197	1.1
151.11124	1.6
159.11719	12.0
160.12067	1.1
171.98860	1.3
177.12749	12.8
180.09412	1.7
195.07906	2.2
195.11940	1.4
195.13800	13.8
195.15617	2.5
196.17067	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03938	2.1
55.01851	4.8
55.05505	31.1
57.03425	2.5
57.07070	8.8
57.86901	1.3
59.04982	1.5
67.05494	14.1
68.53542	1.4
69.03424	17.1
69.07061	61.5
70.54150	2.0
71.04990	10.8
79.05479	16.3
81.07048	48.4
82.84819	1.2
83.04961	4.5
83.08123	1.7
83.08614	22.4
85.06540	10.7
89.03905	1.3
89.77464	1.3
91.05468	7.8
93.06458	1.7
93.07033	29.5
95.04971	2.0
95.08594	76.9
96.08925	1.3
97.06492	3.4
97.10159	17.5
99.08083	78.7
105.07027	6.1
107.04944	9.6
107.08577	57.4
109.06514	1.8
109.08443	1.2
109.10140	18.0
111.08070	23.6
111.11695	6.4
113.09612	10.5
119.08610	2.4
121.06551	1.7
121.10131	85.7
123.04417	2.3
123.11672	12.4
125.09618	48.2
135.08023	5.3
135.11682	18.5
137.09679	2.1
137.13239	27.7
139.11171	6.0
149.06006	1.3
149.09586	3.2
149.13242	6.0
151.14827	1.8
153.05479	1.4
156.98001	1.2
163.07544	2.4
167.06982	1.9
177.05415	2.6
177.09033	2.1
177.16364	100.0
178.16728	2.6
195.06573	1.4
195.10167	3.6
195.15685	2.8
195.17418	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	197.0807
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
51.35579	0.4
53.03941	1.6
55.01866	0.5
55.05500	1.3
57.03423	1.3
57.07053	0.4
65.03940	1.2
67.05501	12.2
68.99780	1.7
69.03435	1.0
69.07052	1.0
70.42737	0.8
70.95844	1.8
72.93775	1.1
77.03926	2.1
79.05475	2.7
79.74783	0.4
81.03412	2.2
81.07053	14.9
81.08572	0.4
83.08617	0.8
91.05474	19.8
93.07040	13.3
94.04176	0.6
95.04961	14.2
95.08600	1.2
99.79372	0.4
105.04517	3.0
107.08580	0.4
109.06512	21.4
110.73302	0.4
111.98493	2.4
119.04919	1.7
119.14123	0.4
123.04414	12.5
129.99503	0.9
132.95833	2.9
136.26859	0.4
137.05968	100.0
138.06311	1.8
144.08842	0.4
150.96881	5.2
150.98013	0.6
155.97372	2.4
165.05473	1.6
173.98456	3.6
197.08064	7.2
197.09650	0.7
197.11729	0.4
197.13283	0.6
198.18518	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	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03941	0.3
55.01873	2.6
55.05508	2.0
57.07078	0.3
59.87427	0.3
63.06541	0.3
65.03941	2.2
67.05500	2.3
68.68272	0.2
69.07052	0.7
70.95860	1.7
71.07527	0.5
72.93777	0.7
73.02911	21.7
77.03916	0.6
78.44712	0.3
79.05501	0.5
81.03433	0.3
81.07047	1.0
83.04974	1.4
83.08615	0.5
91.05482	3.2
93.03391	0.8
93.07072	0.6
95.04961	2.1
95.06082	0.4
95.08598	0.7
96.08182	0.3
99.04507	0.3
101.25490	0.2
105.07023	0.4
107.04921	0.5
107.08595	0.4
108.02075	2.2
109.02908	0.3
110.03655	2.6
111.04463	1.8
111.98462	1.7
119.04966	2.1
123.04444	0.8
123.08071	0.9
125.05980	15.6
129.99519	0.7
132.95825	2.9
133.10097	0.5
135.11777	0.3
136.01608	0.5
136.05182	0.6
137.05974	1.8
137.06958	0.5
137.09599	0.5
141.05463	2.9
141.06976	0.3
147.04434	0.3
149.05945	3.1
150.96887	3.7
151.03897	100.0
151.05000	11.2
151.07410	3.1
151.11200	0.5
152.04253	1.6
155.97403	2.2
160.32440	0.3
161.09700	0.3
173.98497	2.7
176.37054	0.2
179.07011	19.5
179.10616	1.0
180.07320	0.4
194.08604	0.3
196.16962	0.3
196.91751	0.3
197.03308	0.3
197.08032	5.4
197.09674	0.5
197.11774	0.7
197.22040	0.3
198.16714	0.4
198.18515	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	197.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03926	2.0
55.01857	0.6
55.05511	1.4
57.03439	1.7
57.07072	0.6
57.20209	0.4
59.04992	0.7
64.12717	0.4
65.03924	0.6
67.05493	2.0
69.03429	0.5
69.07055	0.8
69.48484	1.6
70.95855	1.2
71.04991	0.8
77.03918	3.5
79.05481	5.6
81.03433	0.6
81.07049	3.1
83.04980	0.8
83.08596	0.5
85.06527	0.5
86.99408	0.3
91.05472	6.5
93.07040	8.1
95.04337	0.6
95.04961	13.6
95.08611	1.7
97.06537	0.6
105.03384	100.0
105.04520	4.1
105.07014	9.8
106.03732	1.2
107.08582	24.4
109.06514	2.9
109.10161	2.5
111.98463	1.2
119.04932	1.2
119.06034	0.4
119.08593	3.6
121.06480	2.3
121.10150	0.7
122.03693	0.4
123.04415	4.7
123.11686	1.2
125.05991	0.5
129.99515	0.6
131.08563	1.1
132.95824	2.2
133.10117	25.1
134.10466	0.5
135.08069	0.7
135.11678	18.4
136.12000	0.4
137.05959	1.8
137.07013	0.7
137.09601	1.5
141.05460	0.4
144.65939	0.4
146.07187	0.4
150.96875	3.2
151.11165	2.2
155.97412	1.2
161.09604	12.5
173.98407	1.7
179.07140	2.7
179.10648	35.2
180.11012	0.7
197.11700	21.6
198.11977	0.5
198.18518	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	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03931	3.2
55.01861	2.1
55.05509	3.9
57.03426	1.6
57.07061	1.0
59.04984	2.1
67.05508	3.8
69.03412	1.1
69.07059	3.0
69.41805	1.2
69.42202	2.7
70.95844	2.2
71.04964	1.0
77.03918	5.2
79.05486	8.3
81.07044	6.0
81.77341	0.7
83.04972	0.9
83.08618	1.4
85.06536	0.9
91.04932	1.5
91.05470	17.2
93.07037	21.1
95.04960	18.1
95.08613	3.9
97.06490	1.5
98.22694	0.9
105.03387	100.0
105.04403	6.4
105.07016	27.3
105.07722	1.0
105.55368	0.9
106.03712	1.1
107.08583	56.7
108.08952	1.1
108.87301	0.9
109.06513	6.8
109.10165	5.6
111.16284	0.9
111.98420	1.5
117.06954	1.1
119.04900	2.0
119.08598	8.4
121.06474	5.8
121.10116	1.2
122.51997	0.9
123.04414	5.9
123.08067	1.4
123.11682	2.3
125.06007	1.2
131.08546	2.1
132.95793	3.4
133.10124	64.8
134.10431	1.2
135.08035	1.4
135.11676	44.7
137.05940	3.7
137.06903	0.8
137.09584	3.8
143.08466	1.0
146.07307	1.5
150.96867	4.2
151.07535	0.9
151.11197	5.8
155.97392	2.5
161.09604	25.8
167.64038	0.8
173.98505	2.4
179.07065	2.7
179.10658	75.7
180.11015	1.2
197.11703	46.7
198.12128	1.1
198.18509	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
53.03936	1.4
55.01608	1.1
55.01863	9.0
55.05507	14.2
57.03408	0.7
57.07068	1.0
59.04992	0.6
59.90501	0.5
66.32607	0.5
67.05502	4.6
69.03426	2.2
69.07061	1.4
70.55608	1.0
70.95851	1.2
71.04974	0.8
71.08652	0.6
72.93795	0.7
79.05479	6.0
81.03362	0.7
81.07050	25.1
83.04977	1.0
83.08607	1.3
83.54364	0.6
91.05489	4.4
93.07033	7.5
95.04957	2.6
95.08599	2.2
97.05968	0.8
97.06530	10.2
99.04441	7.6
101.69502	0.5
105.03400	1.9
105.04470	0.6
105.07022	6.1
107.04925	0.9
107.08599	4.5
108.08114	0.5
109.06513	13.0
109.10154	10.7
111.04445	3.3
111.08064	1.6
111.98454	0.8
115.05427	0.5
119.08564	5.2
121.06512	4.4
123.08053	1.2
123.11683	1.2
124.11153	0.7
125.05982	55.6
126.06323	1.0
127.03908	20.4
128.06189	1.2
131.08498	0.9
132.95821	1.8
133.10114	8.4
135.11649	1.0
137.05968	100.0
137.09592	17.3
138.06302	1.6
139.07547	1.1
143.08545	4.1
150.96867	2.5
151.07538	0.6
151.11165	2.8
155.97398	1.0
161.09607	8.6
165.05527	0.8
173.98502	1.2
179.10660	14.4
197.11694	8.0
197.13286	1.3
197.22520	0.6
198.18504	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	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03947	1.2
55.01866	3.4
55.05507	5.3
55.95869	0.7
57.07063	1.4
58.60536	0.7
59.05003	0.9
61.02914	1.8
67.05482	3.6
68.52595	0.7
69.03413	2.2
69.05628	0.8
69.07074	1.4
69.89435	1.7
69.89795	1.6
70.95878	1.2
71.05012	0.9
73.02901	1.0
79.05482	8.7
79.94771	0.7
81.07047	9.3
83.04971	2.1
83.08620	1.4
88.44487	0.8
91.05473	13.4
93.07037	17.8
93.07600	1.6
95.04960	2.2
95.08598	5.3
97.06525	1.5
97.10151	1.2
103.05437	0.8
105.07021	29.5
107.04944	0.8
107.08583	100.0
108.08921	1.1
109.06504	6.0
109.10151	5.7
111.49274	0.7
111.98450	1.7
118.07766	1.1
119.04929	2.4
119.08566	16.7
119.09410	1.0
121.06503	2.6
121.10124	16.6
123.08084	2.3
123.11694	3.4
125.05992	2.1
125.09633	1.3
127.03944	1.5
128.06212	0.9
131.08553	3.1
132.95836	2.9
133.06459	0.9
133.10117	60.9
134.10492	1.0
135.11717	1.9
137.05969	11.0
137.09598	3.0
139.07541	2.8
141.05370	0.7
143.08536	3.4
146.07277	1.1
149.09619	10.2
150.96869	3.0
151.07547	3.0
151.11168	20.1
161.09621	14.4
167.10663	27.2
169.10155	1.1
173.98491	2.3
179.10649	37.1
197.11713	41.4
198.12102	1.3
198.18524	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03939	1.3
55.01857	3.0
55.05505	9.4
57.03424	1.4
57.07073	5.3
59.04984	2.5
63.31551	1.0
67.05196	1.1
67.05499	10.0
69.03405	2.9
69.07053	5.4
70.61395	1.3
70.95848	5.7
71.04977	1.8
71.08600	1.4
72.93777	2.8
79.05482	9.9
79.45332	1.2
81.07047	12.6
83.04965	1.8
83.08620	4.5
85.06526	2.4
88.96881	1.2
91.05471	20.9
92.14664	0.9
92.86041	0.9
93.07034	24.7
94.04166	1.1
95.04947	8.6
95.08607	8.7
97.06499	2.8
97.10144	1.7
98.22745	1.5
98.73189	0.9
100.07557	1.4
105.04518	1.1
105.07014	31.3
105.07725	1.5
107.04958	1.5
107.08582	73.5
108.08891	1.4
109.06510	10.3
109.10132	8.3
111.98478	5.8
113.05997	1.1
115.05424	1.0
115.96069	0.9
117.06986	0.9
119.04903	3.7
119.06037	2.0
119.08578	8.3
120.09306	1.1
121.06497	6.0
121.10150	1.8
121.51285	0.9
122.09625	1.7
123.04400	3.1
123.08051	1.6
123.09924	1.0
123.11732	4.6
125.06039	1.3
128.06248	1.2
129.99500	2.0
131.08528	1.9
131.30453	1.0
132.95802	8.7
133.06473	1.2
133.10115	68.4
134.10439	1.6
135.08034	1.2
135.11676	55.0
137.05977	8.6
137.07899	1.7
137.09590	4.7
137.13226	2.2
141.06947	3.4
143.08638	1.3
146.07251	1.7
150.96880	16.1
151.07512	1.1
151.11194	7.5
154.07693	1.4
155.08525	3.8
155.97380	6.6
161.09596	31.7
165.05449	1.8
166.85001	1.1
167.08560	3.4
168.09149	1.0
169.06444	1.6
169.10146	2.4
173.98448	10.1
179.10646	100.0
180.10881	1.6
182.10841	3.7
197.05893	3.6
197.09726	5.3
197.11685	69.8
197.13258	7.3
198.18509	69.5
204.46825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03945	2.7
55.01859	4.5
55.05507	34.2
57.03426	4.3
57.07068	4.7
64.08758	1.3
65.03935	2.4
67.05160	2.7
67.05499	37.9
69.03419	1.5
69.07059	27.9
69.81261	1.2
70.52120	3.2
70.95845	5.1
71.04985	15.1
71.08607	1.4
72.93761	1.6
79.05491	24.3
79.48704	1.2
81.07051	87.5
83.04967	8.0
83.08614	22.4
83.84296	1.4
85.06538	12.8
85.18224	1.4
86.57765	1.3
87.04449	1.7
91.05466	21.2
93.07037	27.1
95.04948	1.8
95.08598	100.0
96.08920	1.3
97.06519	23.3
97.10145	9.6
97.49994	1.1
98.22804	1.5
98.71442	1.3
99.08093	6.2
105.07020	28.9
106.95334	1.2
107.08590	12.6
109.06496	5.6
109.10143	6.9
111.08079	4.9
111.98441	4.3
117.07006	1.8
119.07738	2.6
119.08568	39.3
121.10140	9.1
123.08027	7.4
127.07565	2.4
132.95836	6.5
133.10115	25.2
135.11678	20.9
137.05927	2.2
137.09593	2.9
137.13239	18.7
141.06970	1.8
150.96883	8.8
151.14793	1.9
155.08524	1.8
155.97380	2.6
161.13243	57.5
162.99298	1.5
173.98451	6.6
177.41644	1.4
179.10648	1.6
179.14278	22.1
197.13312	3.1
197.15390	6.4
198.18527	41.3
218.18103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85051	0.4
55.01868	0.5
55.05506	2.3
56.96561	48.8
57.03429	0.7
57.07066	1.6
60.08158	23.2
64.86337	0.5
67.05505	0.7
68.05023	6.4
69.03412	0.5
69.07062	2.0
69.67480	1.6
70.06601	0.7
70.98122	3.4
72.08109	0.5
73.02877	0.7
74.97609	0.7
79.05488	0.5
81.07042	0.7
81.82293	0.4
83.08626	2.4
85.02884	1.1
86.06057	0.8
88.99154	2.1
93.07046	0.7
95.06083	100.0
96.06384	0.8
96.08121	0.5
97.02907	0.6
97.06561	0.6
97.10170	0.9
98.23495	0.5
98.97594	1.5
100.07606	0.6
102.00956	0.5
107.00179	0.8
107.08577	0.8
110.97561	19.3
111.05552	0.7
112.55251	0.5
112.81837	0.4
116.98653	0.9
119.01901	1.3
123.04445	0.6
125.02343	0.5
128.98595	23.8
140.04666	3.7
142.96477	0.5
146.99641	13.2
147.05025	0.7
154.13380	24.2
156.98051	7.5
165.00664	1.6
170.06567	0.8
174.06064	0.7
174.99132	55.9
175.99524	0.6
180.06682	0.5
193.00189	70.7
194.00578	0.7
198.00679	0.8
198.12404	6.0
198.18510	47.0
200.09381	0.5
211.01251	5.4
216.01648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.2
56.96557	79.8
57.07050	3.2
59.18915	0.9
60.07869	1.2
60.08154	20.7
68.05025	5.7
69.07054	3.9
70.67946	0.9
70.68248	0.9
70.98101	1.1
71.08628	1.4
73.89233	0.7
75.76585	0.7
83.08603	3.9
91.05469	0.9
93.07047	1.1
95.06076	88.4
95.08566	1.2
97.10132	2.4
98.23402	1.0
98.97595	4.4
100.07601	1.3
100.55668	0.8
107.08620	1.2
110.96783	1.7
110.97552	34.6
116.98603	3.1
128.98589	39.9
137.05977	1.2
140.04700	0.8
146.99632	18.0
147.00691	1.3
147.04411	1.4
150.17825	0.8
154.13364	17.7
156.98058	17.0
165.00719	1.8
174.99120	89.1
184.33745	1.0
193.00177	100.0
198.12431	4.2
198.18501	72.9
211.01262	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	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.2
60.08158	24.5
61.08496	0.2
67.04237	0.4
68.05023	6.9
69.54635	0.7
70.06591	0.3
92.91097	0.2
95.06081	100.0
95.16092	0.2
96.06406	1.1
98.22733	0.4
111.05530	1.1
114.57813	0.2
121.04035	0.2
139.05042	0.5
140.04674	0.3
142.47980	0.2
154.13371	24.4
165.08934	0.4
165.80075	0.2
174.99165	0.5
180.11356	0.3
193.00253	0.5
198.12355	5.8
198.18513	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	199.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97570	0.3
51.02364	0.6
53.03929	2.0
55.01867	1.1
55.05505	2.1
57.07063	0.9
65.03932	3.3
67.05493	3.6
69.03444	0.4
69.07051	1.3
69.76885	1.1
70.06573	0.3
72.04500	0.4
74.09700	1.2
77.03925	2.3
77.26895	0.3
81.03378	0.4
81.07063	0.7
82.04163	0.4
82.06563	0.3
83.08611	1.0
92.27332	0.3
93.03401	1.0
95.04960	28.0
97.02896	2.1
97.03452	0.4
97.10152	0.4
98.22677	0.4
98.97550	1.1
100.07603	0.7
105.04507	3.6
107.08535	0.4
109.02821	0.4
109.06516	0.3
110.03651	1.8
110.84034	0.3
111.04425	1.8
116.97208	1.9
116.98586	0.6
120.02083	0.7
121.02853	1.8
121.03731	0.4
123.04420	11.8
125.01416	0.7
125.02340	15.0
131.99507	0.6
134.95865	0.3
134.99712	0.3
135.09236	0.3
135.54349	0.3
137.02264	0.4
139.03914	0.7
140.04668	100.0
141.05000	1.2
149.02306	0.5
153.28464	0.3
154.08595	0.5
155.07011	12.7
163.08696	0.4
166.02629	0.7
167.03366	1.6
173.08073	1.1
175.98479	1.3
179.15019	0.3
181.04921	4.6
198.18518	18.6
199.05992	0.7
199.10730	0.5
199.18869	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	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03941	2.2
55.01869	1.8
55.05503	2.8
57.07068	1.3
57.93563	0.3
61.39609	0.3
65.03935	4.4
67.05493	4.2
69.03403	0.3
69.07063	2.3
69.91485	0.3
70.25169	0.2
70.25512	0.6
71.08624	0.5
72.04523	0.2
74.09706	1.7
75.94611	0.4
77.03919	2.2
79.05487	1.9
81.03403	0.8
81.07030	1.1
82.04179	0.4
83.04981	0.5
83.08614	1.8
86.06055	0.4
86.09677	0.5
89.22747	0.2
91.05482	1.3
92.02582	0.3
92.14503	0.2
93.03371	1.4
93.07032	2.8
95.04956	31.9
95.08594	0.5
96.05283	0.3
97.02866	2.3
97.06509	0.7
97.10144	1.0
98.97579	0.9
100.07596	0.7
103.05454	0.4
105.04505	4.7
107.01318	0.5
107.08577	0.3
108.02039	0.3
109.02863	0.3
109.06509	0.4
109.07632	0.4
110.03642	1.8
111.04441	2.9
111.08047	0.5
114.09180	0.3
116.97208	2.4
116.98566	0.6
120.02068	0.8
121.02850	2.2
121.03893	0.5
121.06504	2.2
121.07400	0.4
121.10136	0.4
123.03511	0.5
123.04412	10.9
123.08050	0.6
125.02335	15.7
125.05960	0.5
131.99507	0.3
134.99649	0.4
135.09131	0.4
137.02275	0.5
137.05939	0.4
138.03130	0.2
139.03885	0.9
139.07542	1.3
140.04662	100.0
141.04996	1.4
149.02298	0.5
149.05945	0.6
151.67433	0.3
152.96886	0.8
153.05426	0.3
155.07007	11.8
163.08652	0.5
166.02629	0.5
167.03418	1.5
167.07025	4.5
173.08064	0.7
175.98523	1.1
176.02284	0.3
181.04938	4.9
181.08455	0.3
181.09946	0.3
198.18504	30.2
199.05977	0.9
199.10840	0.6
199.18852	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	199.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.8
55.01796	4.2
55.05436	5.3
57.06997	2.0
57.07253	0.8
57.93510	1.1
65.03861	2.5
67.05421	3.9
69.03374	1.6
69.06989	4.3
69.50101	2.7
70.06534	1.2
70.07353	1.0
71.08562	0.9
72.04456	1.4
74.09631	5.6
75.94565	0.7
77.03844	3.2
79.05489	21.3
79.05908	1.0
81.03351	0.9
81.07047	6.4
83.04904	2.4
83.08606	3.4
86.09630	2.6
91.05481	17.4
91.06003	0.9
93.03372	0.9
93.07043	33.5
93.60123	0.7
95.04966	19.4
95.08527	2.9
97.02849	1.3
97.06519	3.7
97.10112	1.2
98.23446	1.4
98.56165	0.8
98.97498	3.1
100.07551	2.8
103.05473	3.8
105.04536	4.0
107.04903	2.3
107.08552	0.7
109.06488	1.2
109.07616	0.9
111.04443	5.9
111.07997	2.7
114.09089	2.5
116.97230	10.2
116.98557	2.4
121.06498	44.4
121.07452	1.5
122.06778	1.0
123.04424	4.3
123.08063	13.8
125.02338	4.1
131.99478	2.2
134.95839	0.7
134.99599	2.2
135.08093	0.7
135.09117	1.6
139.07535	28.2
140.04675	24.9
141.06911	2.0
143.08534	1.0
145.07597	0.8
149.05971	11.4
152.96892	2.7
155.06987	3.5
156.09343	4.5
163.08656	2.1
166.06248	1.4
167.07028	100.0
168.07404	1.7
171.11635	1.6
175.98505	5.3
178.51558	0.7
181.04895	1.2
181.08536	7.3
181.09776	1.0
184.08817	1.3
185.08044	1.2
198.18526	31.8
198.99345	3.3
199.11188	6.2
199.18896	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	21.2
69.07051	1.9
69.74075	1.5
69.74407	4.6
74.09697	6.1
82.06583	8.7
84.08118	2.2
95.06084	2.6
96.06396	2.0
97.02965	1.4
98.97573	100.0
100.02460	3.4
100.07596	1.5
101.00865	5.6
113.00835	3.3
116.98611	65.9
118.03483	1.8
118.24107	1.4
118.96664	1.5
119.01909	18.6
119.04871	2.2
120.89919	1.6
124.53779	1.5
126.09127	1.9
128.07056	6.0
128.98575	2.6
131.01901	17.0
134.99638	34.0
136.04602	2.0
137.02953	4.6
137.05954	4.1
140.00174	1.8
141.04996	2.6
142.38635	1.5
143.01918	2.2
147.04420	3.7
149.02921	6.6
153.00716	3.4
154.03500	8.0
154.08574	2.2
154.12239	3.6
156.05078	1.9
158.01242	9.1
158.99689	2.0
159.01457	1.8
161.02934	3.7
172.04521	6.1
173.02913	1.9
176.02280	6.3
176.99326	2.0
177.00807	3.4
177.02434	5.5
182.03035	3.5
182.08064	2.0
191.03923	1.8
195.03429	2.3
199.18884	18.3
200.03926	11.4
200.12747	6.7
200.18977	1.7
201.02455	7.2
218.05101	7.3
219.03482	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	200.1281
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.01469	0.5
51.11759	0.4
56.05019	0.8
57.03438	1.1
64.88875	0.4
66.36806	0.4
69.03423	0.8
69.97940	0.4
70.06588	0.6
71.08264	0.6
71.08627	7.2
74.09691	0.6
84.04498	15.2
85.02898	25.4
87.04463	1.3
88.11257	2.0
95.01340	2.3
98.97591	0.7
102.05534	14.3
112.03949	2.1
130.04991	100.0
131.05310	1.1
172.13345	1.1
193.10246	0.4
199.18895	2.1
200.12801	88.2
201.12975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05499	1.0
56.96556	10.9
57.03433	0.8
58.06608	0.4
60.95837	1.2
66.14137	0.5
67.05489	0.6
70.06579	0.8
70.11310	0.6
70.11639	0.8
72.63280	0.4
73.02908	1.0
82.06566	1.5
82.99834	1.3
84.08127	1.1
84.96020	1.2
85.02900	1.1
86.06059	0.5
95.06078	1.0
95.08627	0.4
96.06421	0.4
98.97570	8.0
99.97925	1.2
101.00860	17.0
101.02516	0.9
110.97563	0.7
113.00845	1.9
113.02301	0.4
113.98396	0.4
114.96864	0.6
116.98604	8.1
117.98936	1.1
118.96757	1.2
119.01900	100.0
120.01977	2.7
123.05533	0.7
128.07079	1.6
128.98570	1.3
131.01883	20.5
132.01083	0.8
132.02005	2.2
132.97946	0.6
133.03456	1.9
134.99640	5.3
136.00003	1.0
137.02936	44.6
138.02986	0.9
142.03490	1.7
145.03452	3.2
146.99622	0.9
149.02934	9.9
150.02991	0.7
151.04500	1.3
153.00681	0.9
154.12300	1.0
155.01822	0.8
155.03636	1.9
157.01750	1.1
157.05159	0.5
158.99652	2.7
160.04617	1.0
161.02870	0.6
162.97404	0.5
163.04498	1.3
173.01440	0.7
173.02956	10.6
173.04625	1.3
174.03047	0.5
175.02745	5.9
175.04279	0.7
177.00717	4.0
177.02463	1.6
177.04195	0.7
177.98024	0.5
178.02544	0.6
178.05547	0.5
178.98448	1.1
183.01366	1.5
183.03104	0.9
189.00740	0.7
191.02295	0.6
191.03973	11.5
191.05685	1.0
193.03804	4.0
195.01741	0.5
195.03435	0.7
195.99710	0.5
196.03503	0.6
196.99467	1.0
200.12846	0.6
200.18938	0.8
201.00781	1.7
201.02409	40.3
201.04077	2.3
201.13144	0.7
201.15952	1.4
202.02437	0.9
202.14339	0.5
207.01733	0.8
219.01796	2.9
219.03481	47.1
220.03654	1.7
224.03995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.4
55.62275	0.9
56.05021	4.6
56.96556	3.7
57.03426	1.3
59.93107	1.4
68.05013	1.3
70.06578	4.1
72.08149	100.0
73.02872	1.1
81.03424	1.1
82.06617	1.1
83.06910	1.2
84.04497	94.6
85.02896	5.1
86.78989	1.0
95.04942	2.1
95.08605	1.0
98.97546	1.1
101.06020	1.2
102.05521	2.6
110.09692	1.7
114.05507	3.9
116.98641	2.3
118.96759	11.7
123.05534	3.8
123.08071	1.2
126.12794	1.1
127.02746	1.1
127.09554	1.7
130.04987	20.0
133.99078	2.3
134.99686	2.5
137.10735	3.8
138.09149	3.4
141.11034	1.8
142.05043	4.6
142.12270	1.3
145.10083	1.5
154.96454	2.4
155.08932	3.3
155.11748	6.4
156.10086	1.9
159.11731	1.6
163.07681	1.2
167.07004	3.1
177.98097	7.9
183.11278	3.3
184.09671	41.7
200.19214	3.1
201.06781	1.1
201.12314	5.7
219.01718	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05477	0.5
67.05502	4.4
69.03422	1.6
69.38246	2.5
77.03892	0.5
79.05486	2.9
81.07036	2.0
91.05475	7.4
93.07034	3.8
95.04960	1.4
95.08616	0.5
98.22823	1.7
98.23528	0.9
103.05411	0.5
105.07021	9.5
107.08578	0.8
109.06518	1.3
115.05449	1.8
116.06219	1.3
117.06991	4.6
118.96735	2.2
119.08572	16.6
121.06525	2.3
127.05324	0.6
127.78564	0.5
128.06218	4.4
129.06987	8.4
130.07799	2.7
130.69719	0.5
131.08559	30.6
132.08861	0.7
133.10118	38.8
133.99078	0.6
135.08002	0.5
141.06966	2.1
142.07764	3.5
143.08546	33.1
144.05708	1.0
144.09344	7.0
145.06453	3.7
145.10115	24.8
146.07249	1.1
153.06952	2.4
155.08540	2.3
156.09334	3.1
157.06482	1.5
157.10117	3.8
158.07317	3.8
158.10898	38.6
159.08046	9.1
159.11688	8.3
160.08789	1.1
161.09601	1.2
168.09308	2.5
171.08043	8.6
171.09413	0.8
171.11678	2.5
172.08815	12.3
172.12419	0.7
173.09659	13.3
173.13243	100.0
174.13602	2.4
177.98103	1.2
183.11710	3.6
185.09645	1.5
186.10382	41.7
187.10712	1.0
201.12723	76.2
201.16499	1.7
202.13062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.01898	0.6
55.05507	2.9
57.07067	2.1
65.03941	0.9
67.05502	8.6
69.07068	6.0
69.34119	2.4
71.05076	0.7
71.08611	1.2
77.03890	0.9
79.05489	7.6
81.00798	0.7
81.06565	1.4
81.07051	27.3
83.08603	2.2
91.04945	1.0
91.05477	14.8
93.07043	21.2
95.04959	1.9
95.08600	17.2
103.05513	0.8
105.07021	30.2
107.08588	22.7
107.09332	0.9
109.06514	1.3
109.10143	5.7
115.05447	2.1
117.07010	14.9
118.96777	1.6
119.08569	20.5
121.10125	10.4
128.06174	2.1
129.06970	5.3
130.07787	5.5
131.08556	36.8
132.08940	0.8
133.10103	7.4
141.06990	2.1
142.07776	1.4
143.08553	6.2
144.09349	7.0
145.10114	79.2
146.10921	3.8
155.08501	1.4
157.10130	6.5
158.07310	1.0
158.10890	3.1
159.11684	63.5
160.12038	1.5
168.06303	0.6
171.11684	2.7
172.03217	0.7
172.12358	1.0
173.13249	17.0
186.06709	1.5
186.14003	2.8
190.40317	0.7
190.78633	0.9
199.14653	0.8
201.05424	0.9
201.09048	4.6
201.12694	4.2
201.16367	100.0
202.16708	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.41772	0.9
52.55527	0.7
55.05509	4.1
57.07063	3.0
65.03916	0.8
67.05503	7.6
69.07057	4.4
71.08614	2.5
71.10650	0.8
71.43489	1.2
74.37219	0.8
79.05486	8.4
81.07046	18.6
83.08620	1.6
86.00645	1.2
91.05468	12.8
93.07040	17.4
95.04907	0.9
95.08600	19.4
101.63348	0.8
103.05424	0.8
105.07019	25.7
107.08582	22.0
109.06517	1.2
109.10149	6.2
115.05453	3.2
116.06227	1.5
117.07011	12.9
118.96753	5.6
119.08572	21.5
120.47538	1.0
121.10128	12.2
123.05545	1.2
128.06169	1.3
129.06963	5.1
130.04195	1.0
130.07748	5.3
131.08551	32.9
132.01102	1.7
132.08037	1.0
133.10120	10.6
141.07027	2.1
142.07748	1.5
143.08565	6.0
144.09360	7.2
145.10110	92.0
146.10872	4.5
147.11708	1.9
154.96451	1.1
155.08524	2.1
157.10106	6.8
158.10883	2.0
159.09163	2.5
159.11678	59.5
171.11694	2.9
172.12358	1.8
173.06032	1.5
173.09592	2.5
173.13237	18.0
177.98067	3.0
183.07927	1.3
183.11617	1.5
186.06786	1.3
186.14087	2.1
199.14827	1.7
201.05409	1.3
201.09058	6.8
201.12735	5.0
201.16367	100.0
201.20380	2.6
202.16672	3.2
218.54047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75496	1.9
53.21061	2.0
56.05024	3.3
56.96557	15.3
57.03428	2.2
59.78461	2.5
62.06088	5.5
64.95230	2.0
70.06590	8.8
71.06113	3.2
72.04478	2.6
81.07050	3.0
83.58434	2.7
84.04494	7.3
84.08145	7.1
85.06540	2.8
85.64602	2.1
86.09701	37.9
96.04482	2.2
96.08244	2.2
98.97575	12.5
100.02490	9.5
101.00888	16.3
102.09175	14.1
104.10747	19.4
116.07092	3.4
116.98636	8.7
118.03522	7.6
119.01919	100.0
120.02000	17.9
121.01653	2.8
130.06502	3.2
134.99663	7.2
136.07332	2.1
137.02950	38.3
138.03046	8.3
139.02798	3.1
142.03511	20.8
142.08635	2.5
143.01918	8.8
156.97495	3.0
157.07567	2.7
158.11812	2.9
160.02852	9.8
160.04521	16.1
161.02948	48.5
161.04231	3.1
174.05499	2.5
174.98500	4.4
178.00999	2.8
178.03894	3.5
179.03963	19.5
179.99265	2.8
184.04642	5.4
184.09752	4.6
197.01216	8.0
197.99203	3.8
202.05515	4.0
202.10710	3.8
202.14421	11.8
202.18053	18.5
203.05421	4.8
220.01952	5.2
220.03760	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	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.0
57.03410	4.7
60.92273	5.1
68.54598	4.3
70.11987	9.9
70.12315	5.9
85.02919	5.0
100.02482	8.8
101.00883	16.8
118.03567	5.9
119.01909	58.9
120.01979	6.3
126.86543	5.0
137.02969	18.8
138.52971	5.6
138.96436	16.2
142.03510	15.2
148.01859	4.5
156.97473	90.6
158.97173	6.5
160.04597	9.1
161.00546	4.5
161.02937	37.9
174.98514	82.8
175.97649	4.7
176.98259	4.6
179.04004	17.2
179.99080	100.0
180.00647	6.0
198.00148	85.3
203.05267	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	202.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63591	1.1
55.01871	7.8
55.05489	3.7
56.01379	2.9
56.05036	1.9
56.96544	1.8
57.07069	22.2
59.04988	1.9
67.05500	14.1
68.05000	1.7
69.07065	12.2
70.02946	25.5
70.06560	3.2
71.04990	1.3
72.04134	1.6
72.04510	24.0
72.08148	2.4
73.02911	22.6
74.02432	3.3
74.09724	11.1
81.07028	1.9
83.04973	2.4
84.04494	17.3
84.08109	1.5
85.06528	10.5
86.06046	1.3
86.09701	9.0
87.04447	2.0
87.08092	5.5
90.05522	4.2
93.30499	1.1
95.04962	17.0
96.04439	1.5
96.08112	8.7
98.02406	46.2
98.03041	2.3
98.06018	2.7
98.23645	1.1
99.08093	2.1
100.03966	19.6
102.05545	2.3
103.07560	3.4
110.09661	3.2
112.07579	3.6
113.05979	10.8
114.05514	3.5
116.03440	36.2
124.07586	44.7
128.03407	4.7
130.05014	6.1
130.08636	2.6
131.07016	2.0
132.10193	3.4
138.09099	1.9
140.10675	10.6
142.04965	3.0
142.08621	43.7
148.09644	1.4
156.10187	7.8
158.11774	9.8
160.09680	13.9
166.08611	2.9
174.11244	5.1
184.09685	35.6
184.13271	6.3
185.10040	1.4
186.11230	7.3
197.01329	1.3
202.10721	100.0
202.14452	3.5
203.11000	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	202.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14438	0.9
55.01866	8.3
55.05501	2.1
55.91427	1.0
56.01392	2.3
56.05045	1.0
56.96553	3.0
57.07069	17.0
59.04989	2.4
60.04527	1.5
67.05495	13.5
68.05013	1.7
69.03445	1.4
69.07060	10.8
70.02949	20.2
70.06583	2.3
71.04996	1.4
72.04137	1.5
72.04514	23.5
72.08148	5.3
73.02911	25.6
74.02428	3.6
74.09669	1.4
81.03378	1.2
81.07037	3.9
82.02917	1.9
83.04967	2.3
84.04495	8.5
84.08106	1.2
85.02872	2.2
85.06530	10.1
86.06052	2.0
86.09697	9.7
87.04457	5.1
87.08115	5.3
90.05539	4.3
95.04958	17.2
96.04512	2.0
96.08118	6.7
98.02411	43.9
98.06017	8.4
98.97580	1.9
99.08059	1.5
100.03966	18.4
103.07560	4.7
110.09677	3.0
112.07607	3.0
113.06005	10.6
114.05524	2.7
116.03445	37.4
116.98615	2.0
119.01944	1.3
124.07578	42.2
128.03435	11.4
130.04964	3.3
130.08572	3.1
131.07037	3.5
132.10204	2.9
134.99640	1.6
137.05994	1.0
138.09172	2.4
138.12820	1.7
140.10683	13.2
142.04994	3.3
142.08618	41.6
143.09004	1.0
146.04439	1.3
148.09688	1.2
156.04391	3.8
156.10229	7.3
158.11740	19.7
160.06064	1.6
160.09682	12.5
162.37892	1.0
166.08620	4.2
167.73924	1.0
174.05464	5.1
174.11288	4.7
184.09679	32.5
184.13280	5.5
190.05069	1.5
197.01271	2.4
202.10727	100.0
202.14348	2.9
203.05368	1.1
203.10941	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1073
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
52.61237	0.9
55.01865	8.1
55.05499	2.8
55.84446	0.9
56.01397	2.1
56.05020	1.8
56.96552	3.2
57.03431	1.8
57.07070	18.6
59.04982	1.4
59.55143	0.9
61.85412	0.8
63.79894	0.9
67.05492	11.6
68.05019	2.5
68.43414	0.8
69.03408	2.3
69.07062	11.1
70.02947	19.2
70.06581	4.1
70.75538	0.9
71.04999	1.0
71.41985	1.0
72.04510	20.7
72.07790	0.9
72.08141	6.0
73.02910	24.6
73.06551	0.9
73.72676	0.8
73.81231	0.9
74.02450	5.3
74.09715	2.0
79.05498	1.5
81.07043	2.7
82.02940	5.4
83.01334	1.0
83.04967	2.3
83.06891	0.8
84.04492	13.4
85.02888	2.3
85.06540	11.1
86.06050	3.8
86.09695	5.9
87.04468	7.1
87.08093	3.2
90.05554	4.9
93.06980	1.0
95.04959	16.6
96.04461	2.1
96.08134	5.1
98.02408	36.1
98.06052	8.3
98.97575	3.9
99.08081	3.5
100.03967	21.8
101.02356	3.2
101.03680	0.9
102.05544	1.5
103.07570	3.2
107.65003	1.0
110.09679	4.2
112.07571	3.8
113.06001	11.1
114.05513	4.2
114.09151	1.1
116.03447	32.0
116.98643	2.0
119.01863	1.2
119.03425	1.2
124.07585	34.7
128.03421	19.2
130.04996	4.7
130.08620	3.1
131.07024	2.8
132.10162	1.7
134.99635	2.3
138.09116	3.3
138.12753	1.8
140.10712	9.5
142.04994	3.5
142.08618	33.1
144.45692	1.1
146.04472	16.8
148.09669	1.5
156.04422	4.6
156.10217	7.8
158.11754	26.4
160.06052	1.9
160.09682	9.8
166.08609	4.2
174.05455	9.2
174.11218	3.5
184.09680	29.6
184.13312	4.4
185.09920	1.3
186.11147	1.3
188.04761	1.1
190.04893	1.1
197.01131	1.3
202.04907	2.6
202.10719	100.0
202.14374	2.7
202.18001	2.6
202.60158	0.9
203.05286	1.9
203.06815	1.9
203.10956	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	202.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.6
58.99874	1.4
65.01192	0.4
71.43317	0.4
75.71788	0.3
77.00874	0.5
82.01435	29.2
83.01499	0.7
98.97564	3.4
100.02471	100.0
101.00864	2.2
101.02571	1.5
102.96851	0.8
103.00655	0.4
105.12356	0.3
115.58194	0.5
116.98634	2.5
118.03507	42.4
119.01086	0.7
119.01905	11.6
119.03561	1.3
120.01991	1.9
120.97887	1.0
121.01667	1.1
123.04030	0.6
132.58217	0.4
134.99635	1.0
137.02950	3.6
138.03081	0.7
138.95448	0.6
139.02808	0.4
141.05084	0.4
142.03485	1.7
143.01889	0.5
143.03610	1.0
144.03218	0.6
156.96466	1.0
160.04512	0.7
161.02934	2.5
161.04553	0.5
161.97054	1.0
174.97542	0.8
175.04482	0.5
177.00894	0.8
179.00696	1.1
179.03979	1.7
179.98083	26.8
180.04097	0.7
180.98169	1.1
197.99152	71.5
198.99232	1.6
199.99988	0.5
200.49878	1.4
202.99666	0.6
221.01950	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	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44545	1.5
57.41623	1.7
60.81240	1.8
70.06581	12.0
70.19103	2.1
70.19425	2.7
71.06108	3.6
80.83057	1.6
88.08772	3.0
94.93017	20.4
98.23063	4.2
98.97574	3.4
101.00867	28.3
116.07078	5.5
118.91729	1.4
119.01914	45.7
120.02007	2.0
131.01926	8.9
137.01968	3.0
137.02930	3.9
143.01900	28.9
153.29292	1.8
155.01895	2.2
161.02937	58.7
161.04245	3.4
162.03123	2.4
172.10837	2.2
173.02950	2.7
185.02843	2.2
203.05260	100.0
203.15034	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	203.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03293	0.7
56.05031	4.0
56.96568	0.9
57.07071	26.7
61.08239	0.6
70.83259	1.1
72.08144	1.2
74.09711	88.1
75.10052	0.8
83.06097	2.3
84.04497	100.0
85.02891	5.1
90.76956	0.6
90.96948	0.6
98.97580	1.0
101.04353	0.6
102.05529	5.1
116.98537	0.9
119.01878	0.8
130.04996	41.0
135.86633	0.7
140.10706	0.6
141.11043	1.1
147.04338	1.0
157.13347	18.3
175.07510	0.9
186.11238	70.9
187.11613	0.9
203.03386	1.2
203.05191	3.3
203.08391	0.8
203.10954	1.1
203.13885	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	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.30383	0.6
53.03939	1.6
55.05512	6.7
57.07072	1.9
57.32029	0.8
58.07404	1.1
62.06082	0.7
65.03927	0.9
67.05158	1.2
67.05501	17.4
69.07070	9.6
69.30527	3.7
71.08634	1.0
71.51871	0.6
73.95765	0.7
77.00616	0.8
79.05493	9.2
80.66328	0.6
81.07055	41.6
83.08621	2.3
86.80678	0.7
91.05479	13.2
93.06459	0.8
93.07046	19.1
95.08604	67.0
96.08912	1.0
97.10162	1.0
105.07028	40.8
107.08590	38.1
109.10152	39.7
111.11760	0.8
117.07021	1.6
119.08580	31.6
121.10142	16.5
123.11001	0.8
123.11720	7.9
131.08560	1.7
133.10126	24.5
134.10472	1.0
135.11699	4.1
143.08588	1.2
145.10098	3.0
147.11682	51.9
148.12349	1.5
157.10133	1.2
159.11682	2.4
161.09616	1.1
161.13255	15.9
175.14853	8.2
179.97943	1.0
185.20810	0.8
203.08470	0.8
203.10558	1.6
203.14282	3.4
203.17944	100.0
203.21909	8.4
204.18254	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05500	10.5
57.07071	3.4
59.04997	0.9
65.03918	0.7
67.05494	13.5
69.03416	0.7
69.07059	18.2
70.77569	0.8
71.08617	1.0
73.63342	0.6
76.84729	0.5
77.03925	0.6
79.05485	7.4
81.07043	28.2
83.08608	6.2
91.05466	16.4
93.07034	13.1
95.04951	1.8
95.08593	34.3
97.10157	1.5
103.05437	0.9
104.06236	0.8
105.07014	63.4
106.07324	0.5
107.08578	21.5
109.06493	0.6
109.10141	20.5
115.05438	2.0
117.06996	4.5
118.07809	0.7
119.08562	77.8
120.08949	1.4
121.06474	0.5
121.10126	18.4
123.11686	6.0
128.06227	1.3
129.06981	1.9
130.07758	0.7
130.79942	0.5
131.04929	0.7
131.08557	7.3
131.14195	0.5
132.05742	0.8
132.09312	0.7
133.01451	0.5
133.06512	2.6
133.10110	62.1
134.09579	1.1
134.10518	0.9
135.11673	5.9
142.07777	0.9
143.04933	1.4
143.08566	2.7
144.09294	0.9
145.06458	1.1
145.10095	19.0
145.11223	1.2
146.10788	0.8
147.07985	2.9
147.11662	72.4
148.11998	1.0
155.08530	0.8
156.09378	0.9
157.10109	4.1
159.11668	8.0
160.05153	3.2
160.12479	8.5
161.05960	1.1
161.09648	3.4
161.13239	30.7
162.13629	1.1
170.10896	3.8
173.13242	1.8
174.14026	1.8
175.07491	3.2
175.14848	6.7
185.13202	3.8
188.04652	2.0
188.15652	0.8
203.06981	3.6
203.10652	2.4
203.14503	6.3
203.17921	100.0
204.10222	0.6
204.18335	1.6
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	1.1
55.05508	8.4
57.07059	3.1
65.03940	1.2
67.05161	1.6
67.05499	20.9
69.03435	0.9
69.07063	15.4
77.03899	1.1
79.05490	10.9
81.03400	1.0
81.07047	38.3
83.08610	4.0
84.04485	2.7
89.03963	1.0
91.05466	17.0
93.07037	18.8
95.04969	2.3
95.08598	55.7
96.04464	2.4
97.10175	1.1
98.06037	1.6
103.05492	1.0
105.07019	60.2
107.08591	27.9
107.09346	1.6
108.82927	0.9
109.02863	1.0
109.10146	43.9
115.05435	2.3
117.06994	4.3
119.08570	64.6
120.08883	1.5
121.10137	18.8
123.11686	8.2
126.05502	5.1
128.06227	1.5
129.06990	1.6
131.08553	5.5
133.06508	1.7
133.10115	51.7
134.16817	0.7
135.11678	7.3
138.05499	11.1
142.07770	1.2
143.04984	1.2
143.08536	2.5
144.06560	3.4
145.10110	13.8
146.00281	0.9
147.11668	74.7
148.12120	2.4
157.10124	1.2
159.11687	5.5
160.05183	2.0
160.12495	5.4
161.05995	0.9
161.09610	1.8
161.13243	29.9
168.06520	0.9
174.14023	1.4
175.07506	4.1
175.11119	1.0
175.14810	8.8
185.09625	1.1
185.13211	2.3
188.04697	2.3
188.15550	1.0
203.06900	5.2
203.10629	4.7
203.14268	5.9
203.17934	100.0
204.18320	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.61262	0.9
55.05501	5.2
57.07066	2.3
62.06060	0.9
67.05502	18.3
69.05272	0.8
69.07063	8.9
71.08627	1.0
76.01093	0.8
79.05486	7.4
81.07051	42.0
83.08611	3.4
91.05471	10.8
93.07039	19.3
95.04951	0.9
95.08601	63.6
96.08928	1.0
97.10198	1.1
103.75785	0.9
105.07021	37.2
107.07829	1.3
107.08585	38.3
109.10151	39.7
117.06976	1.3
119.08569	30.4
121.10128	13.9
123.11693	7.8
131.08517	1.4
133.10118	24.7
135.11676	4.1
145.10103	2.4
146.10875	0.9
147.11681	53.3
148.12018	1.1
159.11636	2.5
161.13268	17.1
163.16472	1.0
175.14828	8.2
185.20834	1.5
203.17940	100.0
203.21957	9.6
204.18233	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.55456	1.0
55.05499	9.4
55.07384	1.0
55.38449	1.1
57.07037	1.3
67.05504	12.2
69.06712	1.6
69.07066	19.6
69.33218	5.7
79.05492	6.5
81.07045	23.0
83.08609	3.9
90.77798	1.0
91.05005	1.4
91.05480	13.5
93.07040	10.9
95.04942	1.1
95.08598	35.3
103.05445	2.1
105.07023	52.4
105.07729	2.9
107.08583	17.9
109.10148	19.9
115.05428	3.7
116.61015	1.1
117.07012	5.2
119.08570	65.5
121.10128	15.5
123.11690	4.0
128.05321	1.9
128.06197	20.3
129.06937	1.5
131.08554	5.5
132.09334	2.2
133.06483	1.0
133.10112	55.1
135.11671	5.8
142.07803	1.6
143.08545	22.6
145.06421	2.1
145.10110	22.1
146.10835	1.2
147.08015	2.0
147.11670	64.9
148.11983	1.9
152.30630	1.2
155.06081	2.4
157.10107	1.4
159.11662	5.2
160.05191	2.9
160.12469	8.5
161.05957	1.4
161.13248	33.1
171.08047	18.9
173.13187	2.1
174.06770	2.3
174.13979	2.0
175.07518	7.9
175.11131	4.1
175.14828	5.2
188.08275	4.0
188.15608	1.3
203.07019	3.5
203.10660	25.8
203.17934	100.0
204.18129	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.70155	1.2
54.63840	1.0
55.05507	9.7
57.07070	2.3
60.19074	1.1
67.05498	14.6
69.07062	21.1
69.59924	2.6
79.05482	7.5
81.07050	27.9
83.08592	4.2
83.22550	0.9
91.05475	14.4
93.07037	13.1
95.08598	37.5
105.07018	67.6
107.07844	1.1
107.08574	19.3
109.10139	26.0
117.06986	4.6
119.08565	65.1
120.08863	1.7
121.10129	18.7
123.11683	5.0
131.08549	7.3
132.09311	1.4
133.10115	59.3
135.11656	5.5
143.08415	1.2
145.10123	16.0
147.11665	74.0
159.11662	4.6
160.12457	7.7
161.05948	3.8
161.13246	28.7
175.07483	2.6
175.14821	7.5
188.15565	1.2
203.06944	3.0
203.10797	2.2
203.17928	100.0
204.18196	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	205.0495
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
52.38300	0.4
53.03954	0.5
55.01870	2.5
55.05506	2.3
57.03430	0.6
57.07074	4.7
58.06604	0.5
65.03926	2.3
67.05499	1.9
69.03431	1.2
69.07058	1.5
70.06573	2.3
71.05000	0.5
71.42976	0.5
77.03925	0.6
79.05492	5.2
81.03418	0.8
81.07053	2.4
82.07359	0.6
83.04994	0.5
83.08624	1.4
85.02885	0.7
90.00794	0.4
91.05476	4.8
93.03368	1.0
93.07030	4.0
95.04970	2.4
95.08593	0.7
97.02861	0.6
102.47332	0.4
103.05454	6.6
105.04519	0.7
105.07021	41.3
106.07360	1.2
107.04948	1.8
107.08552	0.9
109.10159	1.3
111.04436	0.5
115.05446	17.5
117.06995	2.1
119.04942	1.2
119.08542	1.2
121.02849	5.0
121.03976	1.3
121.06493	5.5
121.10087	0.7
123.11692	1.9
124.12037	0.8
127.03809	0.4
131.04918	15.1
131.08551	1.3
132.05766	0.9
133.06479	100.0
134.06818	1.7
142.04123	1.1
143.04916	2.8
143.06042	1.2
144.05553	0.4
145.06480	2.2
145.10112	1.5
146.06015	0.8
147.04398	0.5
147.05511	0.6
149.02327	37.1
149.05939	2.0
149.09557	0.5
150.12820	0.5
151.11115	0.5
159.04399	13.8
159.08017	0.7
159.11681	1.2
160.05168	3.4
161.05963	98.5
162.06328	2.4
163.03905	0.7
163.11116	0.6
164.04646	0.5
168.13818	3.2
169.14175	1.5
171.05521	28.7
173.06021	0.8
177.05461	11.0
177.09077	1.3
186.14882	3.1
187.03893	16.4
187.11304	0.6
187.15154	1.6
188.07047	0.8
204.15892	1.1
205.04875	8.7
205.06589	0.5
205.08424	3.3
205.12108	2.2
205.15958	1.1
206.11694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
55.05500	1.8
57.07049	1.3
58.81010	0.7
65.03931	1.3
67.05508	2.3
69.03417	2.1
69.07063	1.6
71.04991	4.0
73.28452	0.6
76.39687	0.7
79.05481	4.7
81.03423	0.8
81.07040	4.9
85.02892	0.8
85.06561	0.8
87.38315	0.7
91.05469	14.0
93.07028	6.3
95.04946	2.2
95.08592	2.1
97.02887	3.3
97.06527	1.2
99.04460	4.6
102.04674	1.3
103.05447	2.5
105.07020	29.3
107.08575	9.2
109.06517	3.8
115.05437	39.1
116.06201	1.4
117.07005	51.9
118.07313	0.7
119.08574	12.4
121.02853	2.1
121.06490	5.9
121.10155	2.0
123.07967	0.7
127.05437	1.7
128.06201	2.5
129.06976	5.3
130.04123	2.8
130.07785	9.7
131.04907	2.7
131.08554	19.6
133.10146	3.7
135.08044	2.3
135.11650	1.7
141.06992	1.8
143.04889	1.1
143.08551	5.8
144.05675	1.7
144.09352	7.6
145.06470	67.6
145.10106	100.0
146.06824	1.1
146.10437	2.5
147.04379	0.8
147.08044	2.5
149.02327	11.5
149.05933	6.3
149.13257	0.9
154.07724	0.8
155.04787	1.0
155.06026	18.1
157.10077	1.4
159.08076	4.4
159.11676	53.7
160.05167	1.0
160.12091	1.4
161.05942	4.6
161.09669	1.1
161.13188	2.5
163.07568	3.8
163.11133	3.0
169.10114	2.2
170.10480	0.8
172.08786	0.9
173.05959	43.1
174.06317	1.7
175.07423	0.7
175.11105	0.9
177.09175	1.0
177.12744	4.1
187.07454	2.1
187.11148	11.5
187.14793	2.0
190.06204	3.7
198.08755	0.6
205.08615	12.2
205.12213	50.1
205.15895	2.4
206.12602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03929	0.4
55.05499	1.4
57.07069	0.7
65.03932	0.7
67.05518	2.1
69.03422	1.0
69.07053	0.6
70.52676	0.7
71.04990	2.5
79.05492	2.3
81.07055	1.9
83.05016	0.4
89.93440	0.4
91.04932	0.7
91.05470	8.4
91.60069	0.4
91.73696	0.4
93.07051	2.6
95.04939	0.9
95.08620	0.7
97.02866	0.4
97.06535	0.8
99.04457	4.2
103.05462	1.1
105.07023	18.0
107.04962	0.5
107.08588	3.8
109.06520	3.1
109.10108	0.6
111.04411	0.5
115.05439	3.8
116.06239	0.6
117.07005	13.6
119.08566	5.0
121.02865	1.0
121.06482	2.7
121.10137	1.1
121.11806	0.4
123.11710	0.5
128.06219	1.3
129.06985	3.3
130.07777	9.4
130.08702	0.7
131.08560	11.7
133.06505	0.4
133.10117	1.6
135.08058	0.9
135.11711	1.0
137.05994	0.4
141.07013	0.9
142.07729	0.4
143.08568	5.0
144.05794	0.4
144.09325	5.0
145.06476	5.2
145.10109	100.0
146.10439	1.9
147.08084	0.6
147.11658	0.4
149.02310	5.7
149.06012	1.2
149.13298	0.6
154.07748	0.8
155.06035	1.5
157.10144	0.9
159.08052	3.8
159.11674	24.5
161.05933	0.6
161.09650	0.5
161.13254	0.7
163.07477	1.8
163.11166	2.0
169.10094	2.5
172.08806	0.6
173.05968	2.1
177.05551	0.5
177.09103	0.7
177.12743	1.3
187.07481	0.5
187.11139	7.6
187.12701	0.7
187.14745	0.5
190.06250	0.5
205.04868	0.5
205.08620	1.9
205.12225	37.4
205.15794	1.1
206.12604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03925	0.7
57.07059	0.6
58.28111	0.3
65.03917	0.4
69.03426	0.5
77.03913	1.5
83.04951	0.5
91.05472	11.1
91.06054	0.6
92.21455	0.3
93.07034	48.8
94.07345	0.8
95.04964	4.9
95.05543	0.5
105.04517	1.9
105.07024	1.2
106.15948	0.3
107.08565	0.7
109.06502	0.5
115.05449	0.4
117.07001	0.8
119.08564	1.0
121.06493	100.0
122.06824	1.1
129.06975	0.8
131.04922	0.5
131.08537	1.2
133.10103	0.4
135.04451	0.5
135.08022	0.4
143.08569	0.3
144.05664	0.4
144.09312	2.1
145.06454	0.8
145.10074	1.0
147.08034	0.5
149.02328	6.1
156.38625	0.3
159.08054	1.4
159.11664	5.6
160.05112	0.3
161.05927	3.2
161.06944	0.3
161.09567	0.7
163.11160	1.1
172.08798	0.7
175.07533	0.8
177.09071	0.7
177.12720	0.8
178.72542	0.3
187.07463	0.3
187.11162	4.2
205.08427	0.6
205.12216	17.7
224.31746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05505	11.7
57.07068	7.9
65.03925	1.9
67.05498	21.0
69.07063	22.6
69.27146	7.8
71.04979	4.8
79.05488	17.7
81.07049	89.6
82.07396	2.7
83.04970	29.6
83.08604	5.5
91.05466	22.7
93.07032	27.5
95.04953	4.6
95.08595	52.6
96.08904	1.6
97.10141	4.1
103.05452	2.9
103.62092	1.5
105.07019	89.0
106.07330	1.8
107.04939	2.2
107.08581	37.1
109.06511	2.9
109.10160	11.6
111.08038	3.4
116.06255	1.9
117.07003	17.1
119.08567	62.0
119.09421	3.2
121.06461	1.8
121.10123	31.7
123.08074	2.6
123.11694	73.6
129.07022	3.7
130.07759	5.7
131.08556	53.2
133.10110	43.5
135.08023	6.1
135.11690	8.7
143.08549	10.1
144.09302	2.7
145.10106	100.0
147.11674	26.0
149.02354	15.0
149.09622	2.9
149.13206	5.0
157.10109	4.0
158.10886	9.7
159.11681	21.9
160.12407	2.0
161.13242	7.1
163.11156	3.1
163.14781	2.4
172.12402	2.4
173.11798	2.9
173.13237	31.0
175.14801	77.9
176.15132	1.7
177.12761	2.5
177.16347	16.3
187.14801	48.1
194.57158	1.7
200.13033	1.5
205.15854	88.2
206.16136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
50.50590	2.2
55.05503	11.7
57.07076	12.4
57.18480	2.2
65.03932	6.3
67.05500	21.1
69.07061	21.2
71.06103	2.7
74.01579	2.3
79.05478	13.3
81.07050	91.9
83.04971	35.9
83.08601	4.1
85.02924	3.0
91.05467	21.7
93.07051	26.3
95.04961	4.4
95.08599	44.8
98.06448	2.8
105.07019	82.8
107.08582	35.1
109.06469	2.4
109.10143	9.6
117.06997	20.2
119.08568	62.8
119.76278	3.1
121.02840	11.8
121.03921	2.9
121.06477	4.1
121.10155	24.6
123.11698	83.9
129.07031	5.4
130.07732	5.0
131.07571	1.6
131.08545	49.7
133.10123	49.9
135.08031	6.4
135.11708	12.2
141.21429	2.7
143.08542	8.4
145.10115	97.7
147.11674	25.9
149.02333	73.4
149.03276	2.0
149.09573	3.9
149.13245	3.6
157.10077	3.5
158.10861	6.4
159.11723	20.5
161.13211	9.0
163.11142	2.8
173.13251	42.9
175.14812	87.6
177.12733	3.6
177.16374	13.9
185.13405	2.8
187.14810	51.8
205.12210	3.6
205.15865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05504	7.8
57.07065	4.9
64.26735	2.1
67.05498	9.8
69.07070	9.3
71.43913	2.3
72.76382	2.1
79.05479	9.1
81.07055	29.9
83.08625	5.7
91.05466	3.8
93.07035	23.7
95.08597	20.7
97.10149	5.4
107.08584	23.5
109.10144	24.2
121.10130	14.0
123.11692	100.0
131.22295	2.2
132.65309	2.1
135.11681	57.8
149.02277	15.4
149.13243	48.6
149.14441	2.5
150.87462	2.3
163.14796	5.2
205.19481	26.5
214.28442	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	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.11129	0.2
56.05033	0.4
56.96554	1.5
57.07077	0.3
59.38727	0.2
63.57282	0.2
67.05475	0.3
71.42885	0.3
79.05514	0.3
80.05021	0.4
81.03403	0.5
84.04509	0.4
85.55304	0.3
91.05470	0.5
95.04971	0.5
98.09668	0.5
98.97549	0.5
105.03390	1.0
105.06996	0.6
105.13337	0.3
105.68044	0.3
108.04533	0.3
115.05439	0.3
115.42684	0.3
116.98618	0.6
121.02807	0.3
122.03182	0.4
124.07580	0.3
132.04446	2.5
132.08105	0.3
133.02855	0.5
133.06511	0.3
134.06853	0.3
134.99641	0.6
144.10172	1.4
147.08008	0.3
149.02325	1.4
150.02684	2.5
150.05463	2.5
160.11230	0.3
161.01205	0.4
162.06235	0.6
177.07932	0.2
178.04973	100.0
179.05302	1.9
188.07118	0.3
188.10678	3.3
189.00557	0.3
191.14282	0.3
201.00693	0.6
206.04466	35.4
206.08197	0.9
206.11765	3.5
207.01654	0.6
207.04742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Indolelactate
Peak:m/z	Relative Intensity
52.62169	0.8
55.05516	1.3
65.68813	0.8
66.67551	0.8
66.88519	0.6
67.05498	1.0
67.12699	0.7
69.03424	2.9
69.44620	1.8
69.45003	1.7
79.05495	0.8
83.44769	0.7
91.05470	3.6
93.07030	0.8
95.08595	1.7
105.07018	3.3
107.08585	1.6
115.05430	6.5
117.05738	4.5
117.06996	2.5
118.06535	100.0
119.06875	1.7
119.08582	2.8
121.06491	3.0
121.10127	1.1
123.08043	1.8
130.06523	68.6
131.07335	5.9
131.08267	1.1
132.08080	22.3
132.09056	1.1
133.06496	0.9
133.08498	0.9
133.10112	1.3
135.08018	1.4
137.09627	0.9
142.06512	10.0
143.07291	4.7
143.08307	0.8
144.08070	11.2
146.05995	42.4
147.06332	0.9
147.08026	1.5
147.11700	1.8
149.02324	0.9
149.09599	5.1
150.02654	2.1
160.07565	45.8
161.07939	0.7
161.09534	1.0
161.13266	1.8
163.11151	3.4
170.05997	34.4
171.06311	0.9
177.12827	0.9
188.07059	47.2
189.12733	1.7
206.08113	29.9
207.13763	3.8
229.38164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1175
Annotation	Bellendine
Peak:m/z	Relative Intensity
53.03917	0.6
56.05019	2.7
56.96540	0.6
57.03403	0.4
69.03425	2.7
71.35419	0.5
79.05463	1.8
80.05010	0.7
81.07036	0.7
81.79413	0.4
91.05463	6.3
93.07007	1.5
95.04951	1.1
96.04471	1.0
97.06507	0.7
103.05454	0.7
104.04974	1.1
105.03367	0.5
105.04510	0.7
105.07019	6.1
107.08543	0.5
108.08102	1.0
109.48715	0.4
115.05437	2.3
116.06239	1.0
117.05748	2.9
117.13972	0.4
118.06497	1.2
119.08560	0.6
120.08130	0.5
121.06502	2.0
122.03110	0.5
122.09617	0.6
128.06213	1.9
129.06973	0.9
130.06499	2.7
131.07285	3.2
131.08549	1.2
132.04414	0.6
132.08067	6.3
133.06451	1.3
134.09682	0.9
135.08031	2.1
143.08493	1.2
144.08073	1.0
145.08823	2.9
146.06015	0.9
146.09686	0.4
148.07570	0.9
149.02299	0.7
149.08362	1.0
150.02629	1.8
150.09149	2.3
150.12761	1.1
155.07300	0.8
158.09575	0.9
159.06757	4.2
159.08046	3.1
160.07573	2.5
160.11208	3.9
161.09505	0.5
162.05374	0.7
162.09059	0.5
163.07515	0.8
163.09930	0.6
165.03163	0.5
170.09605	0.8
172.07545	0.7
173.08340	2.7
176.07053	0.9
177.07797	3.9
178.04987	1.8
178.08577	1.3
178.12238	6.2
188.10678	100.0
189.11020	2.1
190.08614	0.7
191.09386	1.2
195.49574	0.4
206.04454	1.1
206.11737	57.6
207.12070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0498
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01866	32.1
56.96549	18.2
57.03429	53.2
59.04974	7.0
66.03602	5.0
69.03404	14.8
71.01347	42.5
71.04984	10.5
73.02918	33.6
79.93684	5.9
80.41829	5.2
81.03394	6.8
83.01326	12.1
83.05015	6.8
84.04522	9.7
85.02895	18.8
87.04469	31.9
88.57650	5.6
89.02377	10.8
95.01286	7.1
95.08563	6.6
98.97579	20.2
101.02370	72.0
103.00494	5.2
103.03903	5.7
107.08596	5.8
109.06475	5.5
110.01318	5.6
110.97517	6.7
111.00820	8.0
115.03907	100.0
116.98659	10.4
119.01812	14.2
121.01628	13.3
123.08035	10.4
123.11678	5.4
129.01817	59.2
134.99692	7.2
135.17290	4.8
139.01718	6.4
139.02719	9.3
143.03365	15.8
149.09631	7.6
151.02844	6.3
157.01334	70.3
158.99638	5.2
161.04428	16.8
161.10083	8.3
165.01819	7.6
175.02379	9.1
189.03893	10.9
207.00838	18.2
207.11057	6.9
207.13745	8.3
209.47256	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	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
63.02398	0.3
64.28513	0.3
69.82077	0.7
69.82468	0.9
70.33168	0.3
79.05466	1.2
83.04990	0.4
83.46589	0.3
90.04675	0.4
91.05473	7.3
95.04935	0.4
98.23355	0.3
103.05458	1.1
105.07021	4.7
107.04948	1.4
109.06462	0.5
115.05428	0.6
116.06198	0.9
117.06974	0.6
118.04134	2.5
119.04913	1.5
119.08576	0.5
119.70181	0.3
121.06488	3.1
122.81611	0.3
128.06189	2.4
129.07002	4.7
131.04912	5.3
131.08554	2.4
132.05699	0.4
133.02856	0.3
133.06474	1.1
133.10109	0.6
137.09621	0.4
139.74524	0.4
143.08556	0.4
144.05664	0.7
144.96010	0.3
145.06456	1.5
146.03639	2.0
146.07265	5.4
147.04408	0.4
147.08041	0.9
148.05185	4.2
149.05951	0.5
149.09612	1.3
151.07561	0.4
155.06024	0.3
157.06493	1.4
159.04468	0.5
159.08060	0.4
161.05963	100.0
161.09592	21.4
162.06346	1.7
162.09962	0.4
165.09070	0.5
174.06735	2.5
189.09088	24.1
190.09448	0.5
207.06482	0.6
207.10092	2.1
207.13788	0.9
210.13783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03915	0.3
53.81662	0.2
55.01882	0.3
55.05500	0.6
57.07051	0.3
59.55138	0.3
65.03945	0.5
67.05492	1.1
69.03417	0.9
69.07053	0.6
69.19289	0.7
69.19675	0.7
71.04983	0.4
77.03902	0.4
79.05485	2.1
81.07044	0.7
83.04974	0.5
91.05470	9.8
92.05800	0.3
93.07037	1.9
95.04960	0.7
95.08595	1.2
103.05462	1.2
105.06349	0.5
105.07024	8.7
107.04928	1.7
107.08585	9.8
108.05638	0.2
109.06498	1.3
109.10153	0.7
115.05437	0.9
116.06218	0.7
117.07005	0.7
118.04146	3.4
118.07849	0.3
119.04951	2.7
119.05798	0.5
119.08572	5.8
121.06509	3.8
121.10107	1.5
123.08037	1.1
128.06221	2.2
129.06993	4.3
129.07906	0.2
130.07774	0.7
131.04918	5.2
131.08543	2.4
132.05673	0.6
133.02904	0.3
133.06471	1.2
133.10115	1.9
136.05206	0.4
137.05927	0.3
137.09593	0.7
143.08537	0.4
144.05669	0.9
145.06487	1.9
146.03633	2.2
146.07251	6.1
147.04376	0.8
147.08037	1.6
147.11697	0.9
148.05177	4.5
149.02290	0.3
149.09619	4.4
151.07521	4.0
155.06021	0.4
157.06471	1.0
158.07254	0.4
159.04350	0.4
159.08054	1.0
160.08836	0.6
161.05959	100.0
161.09590	23.0
161.13226	5.4
162.06314	2.1
162.09932	0.5
163.07494	0.8
164.04640	0.5
165.09023	1.4
171.08078	0.4
171.11670	0.5
174.06721	3.1
175.07368	0.3
179.07127	0.3
179.14293	0.5
189.09081	28.2
190.09636	0.6
207.06509	1.3
207.10107	2.7
207.13745	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
55.01859	0.7
55.05506	0.6
57.03443	0.4
62.65835	0.4
67.05486	0.8
69.03426	0.7
69.07060	0.4
69.08045	0.6
69.08453	1.8
71.05001	0.5
75.04464	0.4
79.05483	1.3
81.07027	0.8
90.04773	0.4
91.05464	5.1
92.23194	0.3
93.07034	1.1
95.04944	1.6
95.08601	0.8
103.05472	2.0
104.06211	0.6
105.03369	3.8
105.04525	0.4
105.07018	6.1
107.04954	1.4
107.08581	1.3
109.06503	0.9
109.10087	0.8
115.05446	3.4
116.06283	0.4
117.07007	2.0
118.04134	1.1
119.04926	1.1
119.08553	1.9
121.06492	4.5
121.10145	0.9
123.04379	0.4
123.08045	2.0
128.06152	0.4
129.03349	1.5
129.06999	1.2
130.04147	0.5
131.04904	4.5
132.05693	2.6
133.06476	16.2
133.10085	0.9
135.08047	0.6
136.05186	0.9
137.09602	0.8
138.06725	0.6
139.07521	0.5
143.06033	0.8
143.08574	0.5
144.05701	0.4
145.06487	3.1
146.03615	0.6
146.07280	2.7
147.04405	1.2
147.08031	4.7
147.11673	1.1
148.05188	0.5
149.02266	0.7
149.05965	4.2
149.09639	2.4
151.07524	6.4
152.88600	0.3
157.06441	0.8
160.05193	1.9
161.05956	53.0
161.09558	2.8
161.13216	1.1
162.06644	1.7
163.03868	0.6
163.07529	4.4
163.11165	1.2
164.04626	0.8
164.08319	1.2
165.09079	0.8
165.12704	0.5
174.06741	1.2
175.07523	7.8
176.08302	100.0
177.05453	7.1
177.09039	6.7
178.06203	0.3
179.07030	0.9
179.10612	1.7
189.09097	3.0
189.12801	1.0
191.06931	0.8
192.04192	0.4
192.07805	7.5
193.81935	0.4
207.06448	1.3
207.10130	38.6
207.13776	2.4
208.10461	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	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03933	0.4
55.01862	0.8
55.05498	1.1
57.03412	0.6
57.98617	0.3
58.64791	0.3
65.03946	0.4
67.05507	1.8
69.03422	1.2
69.07050	1.0
69.12024	2.1
70.60595	0.3
71.04986	0.7
79.05487	2.6
81.03410	1.1
81.07045	1.3
83.04948	0.3
84.08143	0.8
91.05475	10.8
91.06056	0.6
93.07032	5.6
95.04947	1.1
95.08601	2.8
97.06467	0.4
98.23404	0.7
99.08097	0.4
100.89660	0.4
103.05453	2.5
105.03394	0.5
105.04533	0.4
105.07022	10.0
105.07726	0.6
106.07336	0.3
107.04974	2.3
107.08585	2.4
109.06509	1.4
109.10133	1.5
115.05457	1.0
116.06198	0.8
117.07026	1.5
118.04150	3.9
119.04944	2.3
119.08561	5.2
121.06506	3.8
121.10130	11.5
123.04411	0.4
123.08050	2.4
123.11699	0.6
128.06218	2.9
129.06090	0.5
129.06999	6.7
130.07745	0.9
131.04919	7.1
131.08549	3.2
132.05696	0.5
133.02850	0.7
133.06500	1.9
133.10126	2.9
135.08031	0.8
135.11681	0.5
137.05943	0.7
137.09604	1.0
143.08577	0.6
144.05684	1.1
145.06467	3.1
145.10085	0.5
146.03586	2.4
146.07253	6.1
146.10884	0.4
147.04399	0.5
147.08046	3.2
147.11665	3.4
148.05159	5.4
149.02390	0.3
149.06006	0.5
149.09593	3.4
151.07513	1.8
151.11200	0.5
155.05995	0.7
157.06483	2.5
158.07173	0.6
159.04424	0.6
159.05583	0.3
159.08003	0.8
159.09161	0.4
160.08760	0.8
161.05957	100.0
161.09586	22.5
161.13231	1.9
162.06389	1.8
162.09946	0.4
163.07532	1.0
163.11145	0.6
165.09094	1.1
165.12730	0.8
171.08026	0.6
171.11636	0.6
173.05939	0.4
174.06757	4.3
175.03864	0.4
175.07536	0.6
177.09081	0.4
179.03349	0.4
179.07060	0.5
179.10640	0.5
179.14230	0.4
189.09077	19.4
189.12648	2.1
189.16360	1.3
190.09474	0.5
207.06540	1.0
207.10104	3.7
207.11926	0.5
207.13788	4.1
207.15610	0.4
207.17413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01859	0.6
55.05507	2.4
57.03420	0.4
57.07056	0.6
59.04996	0.5
64.32150	0.3
65.41079	0.3
67.05498	6.2
69.03414	2.8
69.07047	1.5
69.27801	1.8
71.04977	1.1
77.03931	0.4
79.05487	4.1
79.15107	0.4
81.03403	0.4
81.07043	3.1
83.04957	1.6
83.08564	0.5
85.06531	1.0
91.05465	11.4
93.07034	4.9
95.04965	2.2
95.08592	17.7
97.06516	0.9
99.04417	0.4
103.05444	1.6
105.07011	14.5
107.04916	2.2
107.08572	7.4
109.06503	3.0
109.10152	3.1
111.08070	0.7
113.06014	0.8
115.05435	0.9
116.06228	1.4
117.06994	1.3
118.04128	3.4
119.04943	2.3
119.08563	12.6
119.99460	0.3
121.06500	4.2
121.10116	6.8
122.07238	0.4
123.08054	11.3
123.11691	1.4
125.09624	0.7
128.06186	2.7
129.06992	5.1
130.07767	1.2
131.04895	5.6
131.08531	3.4
132.05687	0.5
133.02853	0.5
133.06479	2.8
133.10115	4.9
135.08031	0.8
135.11678	1.1
137.05946	0.6
137.09621	3.8
137.13242	0.8
139.07538	0.6
142.62646	0.4
143.08508	1.9
144.05630	0.7
145.06491	2.1
145.10115	1.6
146.03593	2.0
146.07254	5.7
147.04330	0.7
147.08028	2.9
147.11664	10.3
148.05180	3.9
149.02229	0.4
149.09598	29.7
150.09996	0.5
151.07498	2.4
151.14784	0.8
155.06021	0.5
156.09329	1.4
157.06503	1.7
159.04378	0.6
159.08026	1.3
159.11705	0.5
160.08813	0.7
161.05959	100.0
161.09589	24.1
161.13231	12.1
162.06297	1.6
162.10043	1.0
163.07527	0.6
163.11145	1.5
165.09094	1.6
165.12723	3.4
171.07991	0.6
171.11627	2.6
174.06764	3.3
174.10388	1.3
179.06978	0.5
189.09077	23.4
189.12714	11.3
190.09447	0.6
207.06532	1.2
207.10251	3.7
207.13780	23.2
208.13982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.50963	0.9
55.01848	1.0
55.05511	4.1
59.04984	2.0
65.03949	0.9
67.05485	3.5
69.03422	10.8
69.07052	1.9
69.82284	1.8
69.82600	0.9
71.04967	3.0
72.57732	0.9
79.05482	2.8
81.07068	4.2
83.04964	3.5
91.05481	6.5
92.08011	0.8
93.07028	6.5
95.04945	3.3
95.08587	6.4
95.51227	0.8
97.06484	2.0
98.23493	1.1
102.28004	0.8
103.05412	1.0
105.07015	15.2
107.04958	0.9
107.08578	11.3
109.06505	6.7
109.10109	2.3
111.08031	1.3
115.05441	1.2
117.06974	1.8
119.04922	2.2
119.06860	2.2
119.08565	12.8
120.08042	0.8
121.06493	11.6
121.08429	2.8
121.10121	10.8
123.08048	16.8
123.11686	2.9
128.06210	1.0
129.06990	1.4
131.04961	0.9
131.06848	1.9
131.08522	2.5
133.06448	9.0
133.10120	4.5
135.08020	3.7
135.11641	1.7
137.09610	7.1
137.13214	1.5
143.08545	1.7
145.10077	2.3
147.06360	1.9
147.08037	5.7
147.11674	12.7
149.09596	100.0
150.09886	2.3
151.07529	5.3
156.09340	3.5
159.07990	0.9
160.08754	1.0
161.05962	8.3
161.09584	4.5
161.13223	9.5
163.11165	19.2
165.09113	1.3
165.12721	8.3
171.11638	7.4
174.10356	2.5
179.06993	1.5
189.07445	1.5
189.09131	2.4
189.12718	26.1
190.13036	1.1
207.06483	1.2
207.13774	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05505	6.2
57.07059	4.4
59.04976	2.9
61.55231	0.9
67.05496	28.6
69.03423	4.8
69.07047	3.5
69.30681	4.7
69.31078	1.7
71.04983	2.7
79.05480	6.4
81.03394	1.2
81.07059	7.4
83.04962	4.4
85.06539	9.4
91.05466	10.8
93.07030	14.2
95.04945	4.0
95.08596	100.0
96.08900	1.0
97.06525	1.9
98.23462	1.4
103.05454	1.3
105.07017	18.4
107.08585	20.0
109.06508	4.9
109.10133	5.2
111.08079	1.3
113.05972	4.4
117.07008	2.2
119.08565	28.2
120.09338	1.6
121.06467	4.8
121.09272	1.1
121.10129	19.6
123.08056	62.1
123.11688	7.4
124.08344	1.3
125.09644	1.8
129.07028	1.1
131.08522	5.8
133.06462	2.0
133.10138	7.0
135.08064	2.2
135.11662	3.9
137.09595	6.3
137.13194	2.2
143.08534	2.3
145.10110	3.3
147.08029	5.7
147.11655	15.4
149.09598	59.1
150.09927	1.2
151.07486	3.5
151.14763	4.9
153.09047	1.7
156.09280	1.9
159.07986	2.1
161.05960	4.4
161.09578	4.1
161.13252	21.1
163.11156	3.1
165.09113	1.8
165.12732	12.9
171.11661	3.1
174.10414	3.7
179.14302	2.1
180.43442	1.5
189.12721	24.7
207.13780	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.89287	1.3
52.89571	1.3
53.03939	4.9
55.01863	4.4
55.05499	14.8
57.03426	2.2
57.07074	7.9
59.04991	2.5
65.03928	5.3
67.05495	59.5
69.03419	100.0
69.07061	39.0
69.47485	5.1
71.04969	5.4
77.03893	1.6
79.05483	32.9
79.12202	1.7
81.03416	19.5
81.07049	32.9
83.04974	18.5
83.08593	3.6
85.02879	2.2
85.06542	2.7
89.21896	1.5
91.04934	2.3
91.05468	23.7
93.07037	27.5
95.04955	52.1
95.08592	19.2
97.02856	5.1
97.06522	18.3
99.04419	1.8
103.05464	2.0
105.04486	1.8
105.07019	55.6
107.04948	7.9
107.07913	2.3
107.08586	27.0
109.06510	27.2
109.10137	16.6
110.07274	10.2
111.08069	17.9
117.06992	8.2
119.04936	5.2
119.07735	2.7
119.08565	43.4
121.06478	9.0
121.10129	33.4
123.04414	87.4
123.08054	16.6
123.11680	3.7
125.09606	5.5
128.06213	2.8
129.07010	3.2
130.07777	2.7
131.08551	6.4
133.06480	7.9
133.10110	91.6
134.10516	1.9
135.08028	6.6
135.11656	12.0
137.05951	22.9
137.09592	20.3
139.11220	1.6
141.06987	2.3
143.08530	5.4
145.10103	12.8
147.04385	3.5
147.08034	11.5
147.11673	25.1
149.09644	7.4
151.07521	8.9
151.11176	2.4
153.09016	2.7
156.09302	13.0
159.08037	5.1
159.11653	8.8
161.05962	15.1
161.09583	10.2
161.13242	26.7
163.11163	28.7
164.04678	2.2
165.09145	3.3
165.12648	1.8
171.11674	16.2
174.10347	6.5
177.12718	5.4
178.13441	1.5
179.07024	2.3
179.14282	5.7
189.09113	4.4
189.12712	26.7
207.06432	6.9
207.13773	96.5
208.14055	2.5
219.89523	1.3
229.17332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01870	0.9
55.05501	1.0
57.07057	0.6
59.04987	2.3
67.05496	3.1
69.03423	4.8
69.07069	1.8
69.57919	2.0
71.04976	2.5
77.03942	0.5
79.05477	3.8
81.07059	4.1
83.04975	3.3
85.02911	0.6
85.06525	1.1
91.05476	7.2
93.07030	7.0
94.06519	0.6
95.04953	2.2
95.08597	7.1
97.06517	2.0
103.05453	0.9
105.06346	1.0
105.07019	13.3
105.07726	0.7
106.04153	0.6
107.04955	1.1
107.08574	8.3
109.06510	5.3
109.10157	1.2
112.65472	0.5
115.05456	1.1
116.06249	0.8
117.06989	0.7
119.04942	3.3
119.08572	8.9
121.06508	4.5
121.09283	0.7
121.10139	10.4
123.04430	0.6
123.08053	14.7
123.11668	2.8
128.06218	0.7
129.06972	2.1
131.04909	1.1
131.08548	2.2
133.06488	3.9
133.10103	3.0
135.04387	1.7
135.07974	0.7
135.11653	0.6
137.05965	0.8
137.09581	4.3
137.13252	0.8
138.24373	0.6
143.08569	2.9
145.06470	0.9
145.10115	1.9
146.03622	0.9
146.07234	1.6
147.04343	0.9
147.08073	3.5
147.11682	6.0
148.05099	0.9
149.09599	100.0
150.09961	2.7
151.07492	3.2
156.09334	2.9
157.06552	0.7
159.08150	0.6
161.05977	15.0
161.09583	5.6
161.13229	7.4
163.11188	0.8
164.04741	0.7
165.12747	5.2
171.11662	7.5
174.10341	2.6
175.07616	0.7
179.07030	1.2
179.14339	0.6
189.09077	5.0
189.12724	22.5
207.06483	2.5
207.13779	55.8
208.14000	1.0
221.50075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	0.9
53.03934	2.2
55.01867	1.1
55.05259	1.2
55.05507	14.5
58.29797	0.8
59.04998	2.3
63.56903	0.7
65.03950	0.9
67.05489	1.7
69.03065	1.8
69.03428	29.7
69.07059	0.9
69.36706	3.8
69.39848	0.7
70.67622	0.8
71.04975	0.8
73.16525	0.7
75.39606	0.7
77.03900	1.4
79.01834	1.0
79.05485	7.6
81.07047	2.9
81.68304	1.0
83.04974	2.5
89.03896	1.0
91.05476	20.8
93.03410	1.3
93.07047	6.7
95.04953	6.4
95.08606	4.2
98.22647	1.0
103.05462	4.9
105.04494	1.4
105.07027	14.3
105.09828	0.8
107.04935	4.8
107.08607	6.6
108.05700	1.6
109.06512	6.9
115.05475	1.7
117.07010	3.4
118.04155	3.5
119.04936	8.2
119.08565	8.3
121.06501	72.4
121.10138	3.3
123.04366	1.3
123.08065	17.1
128.06227	3.0
129.07019	7.7
130.07768	3.8
131.04887	5.3
131.08548	3.1
133.06485	32.8
133.07524	1.8
133.10155	3.1
135.08051	10.5
135.11693	2.8
136.05170	2.7
137.09636	1.5
143.08543	1.7
145.06448	1.7
145.10132	3.0
146.03651	1.7
146.07304	5.4
147.04390	4.4
147.08011	4.0
147.11697	2.3
148.05170	3.8
148.08853	1.2
149.02333	3.7
149.05957	1.3
149.09630	6.7
151.07526	6.3
157.06477	2.0
159.04430	0.7
160.08784	1.2
161.05971	90.9
161.09602	23.3
161.13274	2.1
162.06346	1.7
163.03943	1.5
163.07539	1.8
163.11171	100.0
164.04672	4.2
164.11482	1.8
165.12729	1.7
171.11668	1.5
174.03091	1.1
174.06737	3.9
174.10353	1.3
175.03886	1.0
179.06978	4.6
189.09094	26.0
189.12709	7.0
192.04196	1.5
207.06468	10.3
207.10130	3.3
207.13786	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02366	1.1
53.03938	3.7
55.01866	7.1
55.05502	4.2
55.75001	0.9
55.85009	0.9
57.03431	1.8
59.05003	1.2
65.03939	14.8
67.05488	7.2
69.03415	3.2
69.07064	2.1
70.22376	0.8
70.55952	2.2
71.04987	2.2
71.23404	0.8
75.04477	12.5
77.03913	4.9
78.04698	15.7
79.05487	10.8
81.03418	2.4
81.07058	5.8
82.04210	1.1
83.04973	4.4
83.08569	1.2
85.02895	10.2
85.06489	0.9
89.03929	5.0
89.06017	3.3
91.05475	49.7
93.03400	35.4
93.07037	20.2
95.04963	27.9
95.05909	1.0
95.08604	2.0
96.05728	1.1
97.06512	15.5
103.05466	15.5
105.03363	2.5
105.04491	7.8
105.07030	5.2
106.04166	100.0
107.05022	5.0
107.08584	8.8
108.05737	2.6
108.08865	0.9
109.06514	5.6
109.10145	2.3
110.07307	1.0
111.04433	2.8
111.08096	2.4
117.03371	5.2
118.04190	1.4
119.04919	3.7
119.08545	2.9
121.06496	86.8
121.10117	5.3
123.04411	4.8
123.08073	3.4
124.05198	2.3
125.05982	27.2
125.09622	1.4
131.04903	4.2
131.05934	1.2
131.08611	2.3
133.02773	1.9
133.06421	1.1
133.10103	1.9
134.03641	14.3
135.04398	5.1
135.08038	3.3
135.11667	1.4
137.05971	14.4
138.06790	5.3
139.07516	6.5
145.02805	3.6
145.10152	1.7
148.05176	9.2
149.05966	96.3
149.09624	3.8
149.13203	2.0
150.06465	1.8
151.03879	1.6
151.07520	3.2
151.11212	3.4
152.08261	1.6
153.05463	6.6
153.09090	20.8
153.10263	1.8
162.03113	1.1
163.03856	1.5
163.07512	5.4
163.11148	2.6
163.14809	1.5
165.05478	1.9
166.06232	2.7
167.07043	2.4
167.14302	1.4
173.13293	1.4
177.05447	29.8
181.08565	16.8
191.06963	4.0
191.14342	4.9
209.04387	1.1
209.08073	16.5
209.11372	1.2
209.15294	5.1
219.06340	1.1
221.76041	1.0
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	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
53.03938	3.7
55.01866	7.1
55.05502	4.2
55.75001	0.9
55.85009	0.9
57.03431	1.8
59.05003	1.2
65.03939	14.8
67.05488	7.2
69.03415	3.2
69.07064	2.1
70.22376	0.8
70.55952	2.2
71.04987	2.2
71.23404	0.8
75.04477	12.5
77.03913	4.9
78.04698	15.7
79.05487	10.8
81.03418	2.4
81.07058	5.8
82.04210	1.1
83.04973	4.4
83.08569	1.2
85.02895	10.2
85.06489	0.9
89.03929	5.0
89.06017	3.3
91.05475	49.7
93.03400	35.4
93.07037	20.2
95.04963	27.9
95.05909	1.0
95.08604	2.0
96.05728	1.1
97.06512	15.5
103.05466	15.5
105.03363	2.5
105.04491	7.8
105.07030	5.2
106.04166	100.0
107.05022	5.0
107.08584	8.8
108.05737	2.6
108.08865	0.9
109.06514	5.6
109.10145	2.3
110.07307	1.0
111.04433	2.8
111.08096	2.4
117.03371	5.2
118.04190	1.4
119.04919	3.7
119.08545	2.9
121.06496	86.8
121.10117	5.3
123.04411	4.8
123.08073	3.4
124.05198	2.3
125.05982	27.2
125.09622	1.4
131.04903	4.2
131.05934	1.2
131.08611	2.3
133.02773	1.9
133.06421	1.1
133.10103	1.9
134.03641	14.3
135.04398	5.1
135.08038	3.3
135.11667	1.4
137.05971	14.4
138.06790	5.3
139.07516	6.5
145.02805	3.6
145.10152	1.7
148.05176	9.2
149.05966	96.3
149.09624	3.8
149.13203	2.0
150.06465	1.8
151.03879	1.6
151.07520	3.2
151.11212	3.4
152.08261	1.6
153.05463	6.6
153.09090	20.8
153.10263	1.8
162.03113	1.1
163.03856	1.5
163.07512	5.4
163.11148	2.6
163.14809	1.5
165.05478	1.9
166.06232	2.7
167.07043	2.4
167.14302	1.4
173.13293	1.4
177.05447	29.8
181.08565	16.8
191.06963	4.0
191.14342	4.9
209.04387	1.1
209.08073	16.5
209.11372	1.2
209.15294	5.1
219.06340	1.1
221.76041	1.0
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	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
51.34357	0.6
53.03942	3.9
55.01620	0.8
55.01869	12.2
55.05507	19.4
57.03440	3.1
57.07057	1.8
59.05000	0.8
61.12348	0.7
65.03934	9.4
67.05497	25.5
68.99789	0.7
69.03413	4.0
69.07059	11.5
69.26471	3.4
69.37730	0.6
71.04990	5.3
73.02895	2.1
75.04472	6.9
77.03911	3.5
78.04698	9.2
79.05484	44.4
81.03412	6.2
81.07048	28.3
83.01318	1.1
83.04967	7.0
83.08605	10.2
83.80807	0.7
85.02901	8.0
85.06486	1.5
87.04473	3.4
87.16979	0.6
89.03915	4.7
89.06000	2.7
91.05468	44.5
92.06284	0.8
93.03397	17.9
93.07034	56.7
94.04168	0.7
95.04958	31.2
95.08595	44.2
96.08913	1.0
97.02870	5.1
97.06523	11.1
97.10164	1.4
98.23470	1.1
99.04443	5.5
103.04775	0.7
103.05454	14.9
105.03363	1.9
105.04508	5.5
105.07021	27.3
106.04163	52.6
107.04948	18.1
107.08582	34.1
108.05754	1.6
109.06499	11.8
109.10136	3.6
110.03641	1.1
111.04442	4.5
111.08044	1.9
115.05434	1.5
116.06266	0.7
117.03373	3.2
117.07014	9.9
119.04906	2.3
119.08562	13.8
120.05737	1.0
121.02822	0.8
121.06494	60.5
121.10129	31.5
122.07283	0.9
123.04411	3.0
123.08044	5.9
123.11663	2.1
124.05217	1.9
125.05107	1.3
125.05981	16.6
125.06894	0.9
125.09608	1.4
129.06979	1.0
130.07758	3.4
131.04895	4.6
131.05769	0.7
131.08542	2.8
133.02850	1.0
133.06476	1.3
133.07581	2.2
133.10094	3.2
134.03629	8.2
135.04395	2.2
135.08038	3.6
135.11673	35.7
137.05974	7.2
137.09610	1.0
137.13124	0.8
138.06743	2.5
139.07529	4.5
143.08502	1.2
145.02806	3.4
145.06438	0.8
145.10109	24.4
147.04431	0.7
147.11696	3.9
148.05190	5.1
149.05969	51.0
149.09595	100.0
150.09898	1.3
151.03922	1.1
151.07491	2.4
151.11200	1.2
153.05487	3.7
153.09079	13.0
163.03931	0.9
163.07558	3.5
163.11157	25.6
163.14781	3.1
165.05452	1.3
165.12743	1.6
166.06218	1.8
173.09564	0.8
173.13220	1.3
176.04678	0.9
177.05446	21.6
179.08589	1.8
181.08566	10.6
181.12155	1.8
191.07005	2.8
191.10568	1.4
191.14340	4.5
194.05690	0.8
194.10921	1.4
209.08017	11.3
209.09772	1.3
209.11713	2.2
209.13286	2.6
209.15346	10.1
227.12732	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03934	4.8
55.01868	7.8
55.05510	1.0
65.03934	16.2
67.05506	6.4
67.15315	0.8
69.03437	1.3
69.07068	0.8
69.58363	2.1
69.58748	1.5
69.66740	0.7
71.04987	1.7
75.04477	14.0
77.03916	5.9
78.04699	16.6
78.16364	0.9
79.05486	8.5
79.37931	0.7
81.03416	1.9
81.07069	3.2
82.04202	2.0
83.04982	1.5
85.02897	10.1
89.03896	6.6
89.04350	0.7
89.06020	3.7
91.05472	50.7
93.03399	36.9
93.07040	16.6
93.07603	1.2
94.04194	1.0
95.04961	28.2
95.08620	1.0
96.05734	0.9
97.06525	13.3
98.22810	2.1
103.05462	19.0
105.03407	3.7
105.04501	7.8
105.07049	2.4
106.04163	96.9
107.05012	4.3
107.08593	1.7
108.02110	0.9
108.05744	2.6
109.06509	3.6
110.03663	1.3
110.07292	1.4
111.04444	2.8
117.03375	3.9
118.04176	1.8
119.04948	4.3
119.06017	0.9
120.05745	2.6
121.06495	84.2
122.03584	1.1
122.07287	2.6
123.04419	4.4
123.08014	4.0
123.11703	2.0
124.05180	2.4
125.05972	21.4
131.04909	4.3
131.05978	1.6
133.02840	1.7
133.06477	1.4
134.03619	14.2
135.04472	4.7
135.08075	1.5
135.11673	1.3
136.05214	1.5
137.05948	12.8
137.06876	1.2
138.06755	6.7
139.07549	6.9
145.02832	3.9
147.04367	1.2
148.05171	9.5
149.05966	100.0
150.06332	1.6
151.03909	1.9
151.07509	4.1
153.05486	6.9
153.09085	18.2
155.92188	0.8
159.04428	1.9
162.03145	1.1
163.03877	1.7
163.07545	5.0
163.11203	1.0
165.05505	2.1
166.06235	4.7
167.07092	1.8
169.05229	0.7
171.23851	0.9
176.04637	1.2
177.05449	33.2
178.05872	0.9
180.07825	1.4
181.08586	22.0
191.07027	3.5
194.05763	1.3
201.00230	0.9
208.28380	0.8
209.08041	16.4
209.09758	1.2
209.11559	1.5
209.15314	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02369	1.0
53.03923	3.4
55.01871	9.8
55.05504	30.4
57.03425	7.6
57.07064	3.3
59.04976	1.7
61.02917	1.3
62.31373	1.1
65.03927	8.7
67.05494	17.2
69.03417	7.4
69.07060	25.0
69.07436	1.6
71.04985	23.7
71.42693	1.2
75.04457	4.6
76.46635	1.0
77.03923	2.7
78.04701	6.9
79.05485	53.0
80.05781	1.4
81.03404	3.7
81.07052	20.5
83.04971	36.6
83.08615	12.0
85.02894	4.3
85.06527	3.7
89.03895	3.2
91.05470	50.5
93.03393	12.9
93.07034	73.6
94.07385	1.1
95.04956	71.2
95.08592	8.5
97.06527	16.6
97.10163	2.5
99.04444	11.0
99.08097	2.1
103.05451	17.3
105.03355	2.9
105.04486	5.4
105.07020	34.6
105.07729	1.9
105.58276	1.1
105.73318	0.9
106.04163	30.4
107.04954	24.5
107.08582	75.1
108.05718	1.4
109.02818	1.9
109.06506	30.9
109.10161	11.4
111.04437	7.0
111.08067	6.0
113.05981	1.3
115.05411	1.9
115.07540	1.7
116.06217	2.1
117.03349	3.4
117.07001	6.3
119.04915	4.3
119.06072	1.9
119.08569	14.5
120.05708	2.3
121.06495	67.4
121.10130	100.0
122.10447	1.6
123.04427	3.8
123.08051	9.1
123.11683	5.2
125.05975	18.0
125.09595	7.1
126.01079	1.2
129.06995	4.2
130.07753	3.3
131.04910	11.1
131.08551	87.7
132.08907	1.4
133.06479	2.8
133.10101	11.3
134.03658	5.0
135.04413	5.7
135.08035	11.8
135.11667	8.6
137.05952	7.0
137.09598	1.7
138.06703	1.8
139.07503	5.4
139.11151	2.2
141.05469	2.8
143.08495	1.3
145.02832	2.8
145.06467	2.3
145.10110	32.7
147.04344	3.1
147.08080	6.6
147.11662	5.2
148.05150	6.7
149.05960	44.5
149.09596	63.0
149.13176	5.0
150.09923	1.5
151.03883	1.1
151.07553	7.5
151.11166	9.9
153.05472	12.7
153.09077	26.7
155.08559	1.1
159.04396	4.8
163.03856	3.1
163.07513	14.8
163.11163	25.2
163.14798	16.1
165.05453	1.1
165.09081	4.4
165.12729	2.1
165.93091	1.0
166.06242	3.4
167.07062	5.4
167.10625	2.8
167.14293	17.4
168.07799	1.6
173.09666	5.2
173.13278	5.5
176.04567	1.2
177.05453	35.5
177.09068	4.0
178.09859	27.1
179.07024	1.7
179.10611	3.5
181.06386	1.1
181.08556	12.0
181.12163	1.2
191.07028	3.4
191.10645	26.4
191.14270	19.8
192.06503	1.0
194.05721	2.8
194.09369	3.0
201.84882	1.0
209.04521	4.7
209.08075	16.8
209.11696	51.7
209.15286	30.4
209.17218	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03939	2.3
55.01852	6.4
55.05494	11.1
57.03414	4.3
57.07062	2.9
58.54412	1.4
65.03933	3.1
67.05494	12.7
69.03420	7.9
69.07059	22.0
70.70557	2.3
71.04982	21.7
77.03918	2.2
78.04699	2.3
79.05040	2.7
79.05483	42.7
81.03415	2.5
81.07045	13.2
83.04965	15.3
83.08591	4.8
84.93485	1.2
85.06518	2.3
91.04938	2.4
91.05468	35.1
92.05671	1.5
92.46076	1.4
93.03387	3.2
93.07033	40.2
95.04962	18.6
95.08556	4.8
97.06513	6.4
99.04404	3.0
103.05449	6.4
105.04516	3.5
105.07021	39.1
105.21684	1.4
106.04179	10.4
107.04941	28.0
107.08575	56.4
109.06511	10.9
109.10146	3.2
111.04408	3.8
115.05441	2.7
116.06219	3.9
117.07034	7.4
119.04902	3.3
119.06069	2.0
119.08587	9.6
121.06490	52.0
121.10127	35.7
123.04427	1.8
123.08043	5.1
123.11706	2.3
125.05954	9.5
125.09629	4.9
129.06953	5.8
130.07768	2.6
131.04900	6.1
131.08548	100.0
132.08919	2.0
133.06482	8.3
133.07364	1.4
133.10095	3.8
134.03624	2.2
135.04404	24.2
135.08028	7.8
135.11653	7.5
136.05197	11.8
137.05942	5.0
139.03897	2.1
139.07491	4.8
139.11107	1.5
145.06517	1.8
145.10097	32.0
145.11214	1.9
147.08064	6.4
147.11673	3.2
148.05171	3.8
148.08789	5.3
149.02312	3.2
149.05975	19.0
149.09595	79.0
149.13226	1.8
149.21858	1.5
151.07495	4.4
151.11137	4.8
153.05443	15.8
153.09087	4.1
157.21547	1.4
159.04433	1.9
163.03864	2.9
163.07512	15.6
163.11159	29.5
163.14806	2.5
165.09094	4.1
167.07024	6.3
167.10654	4.9
167.14264	4.4
169.31067	1.6
173.09613	5.3
173.13216	2.0
177.05470	8.3
179.07040	2.5
180.07829	8.2
191.10635	34.3
191.14285	5.9
194.02057	3.2
194.05733	2.3
194.09337	1.6
209.04417	13.7
209.07964	10.0
209.11678	53.2
209.15170	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.00643	2.8
50.74409	2.7
50.78447	2.6
53.03937	7.0
55.01874	14.8
55.05506	45.5
57.07070	5.3
63.56559	3.1
65.03934	16.1
67.05501	33.3
69.03419	15.5
69.07059	20.8
69.32374	13.6
69.32707	4.2
71.04980	12.6
75.04471	7.6
77.03925	5.8
78.04694	9.5
79.05489	56.8
79.37103	3.2
81.03409	7.2
81.07051	71.0
83.04974	29.0
83.08620	17.5
85.02900	9.9
85.06561	3.4
89.03891	4.8
91.05478	67.8
93.03391	27.6
93.07038	81.6
95.04961	70.1
95.08597	48.9
97.02876	5.1
97.06523	22.6
97.10136	4.6
99.04459	7.7
103.05457	18.5
105.03410	3.2
105.04539	5.0
105.07030	25.0
106.04174	71.3
107.04929	12.4
107.08575	74.2
107.09261	5.4
109.06538	26.3
109.10143	21.7
111.08056	7.1
113.05988	7.9
115.05469	3.7
117.03368	3.1
117.07016	9.8
119.04958	4.1
119.08553	15.1
121.06495	74.8
121.10141	37.8
122.07310	6.7
123.04469	6.1
123.08062	10.0
123.11687	5.8
124.05227	3.5
125.05988	38.1
125.09612	6.2
131.04912	8.3
131.08592	9.3
133.10118	100.0
134.03613	10.5
135.04391	6.9
135.08041	24.5
135.11676	37.4
136.97643	3.1
137.05963	12.0
137.09601	75.4
138.06755	4.6
139.07549	9.6
145.10121	33.6
147.11670	11.4
148.05164	7.2
149.05972	76.7
149.09613	11.4
149.13268	20.0
151.07573	4.2
151.11169	25.4
153.05421	3.0
153.09076	23.3
163.07515	4.0
163.11156	46.2
163.14755	3.9
165.12733	5.3
166.88881	2.6
167.14331	22.9
173.13246	16.5
177.05434	37.2
179.49971	3.4
181.08583	13.4
181.12129	5.3
191.07048	3.5
191.10632	3.6
191.14287	35.7
208.70540	3.3
209.08054	16.4
209.11664	8.4
209.13503	5.9
209.15251	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	209.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01854	10.1
55.05506	26.2
57.03414	3.1
57.07070	4.8
65.03935	15.1
67.05508	21.7
69.03426	13.5
69.07068	17.7
69.50339	13.0
71.04978	3.9
72.18257	3.0
75.04466	11.7
77.03955	4.4
78.04695	12.5
79.05493	34.6
81.03397	3.4
81.07046	47.5
83.04974	21.9
83.08611	11.9
84.58780	3.0
85.02905	6.9
85.06539	2.9
89.03902	4.0
91.05476	55.6
93.03403	28.0
93.07037	63.4
95.04961	47.6
95.08594	37.6
97.06526	22.1
99.04439	2.8
103.05486	17.3
105.03354	3.8
105.04508	4.0
105.07009	20.9
106.04169	68.0
107.04952	11.7
107.08585	67.9
109.06528	18.7
109.10164	21.6
111.04420	3.2
111.08096	7.0
117.03341	6.7
117.06989	5.7
119.04904	3.2
119.06059	3.8
119.08575	13.5
121.06499	80.2
121.10121	35.2
122.07241	8.2
123.04443	3.8
123.08066	8.8
123.11691	5.0
125.05991	27.2
125.09606	10.4
131.04890	6.3
131.08539	7.3
133.10117	100.0
134.03603	10.0
135.04391	4.5
135.08055	25.7
135.11673	31.2
137.05969	12.4
137.09602	71.1
139.07524	7.9
145.02823	6.0
145.10118	20.8
147.11667	8.4
148.05147	8.7
149.05962	70.7
149.09608	8.5
149.13261	19.6
151.07472	5.6
151.11188	23.3
153.05429	5.2
153.09048	20.8
163.07605	5.7
163.11160	27.1
165.12727	8.5
167.14291	12.4
167.66856	3.0
173.13281	9.4
177.05452	29.1
181.08546	16.4
191.07001	4.2
191.10689	4.7
191.14325	34.5
209.08067	23.0
209.09732	3.7
209.11595	4.8
209.13469	7.5
209.15332	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03938	4.3
55.01864	4.2
55.05506	73.5
57.03416	1.8
57.07066	2.6
59.04999	4.9
65.03944	2.4
65.09935	1.5
67.05502	10.6
69.03421	16.4
69.07057	6.8
69.39852	3.4
69.40233	3.0
71.04977	4.4
79.05480	8.5
81.03407	8.4
81.07050	18.7
83.04974	100.0
83.08614	34.5
84.05299	1.7
85.06523	4.2
91.05486	7.7
93.03378	2.4
93.07037	14.8
95.04949	10.1
95.08594	14.7
97.06532	10.4
97.10175	7.3
99.04431	1.7
99.08099	3.7
103.05459	2.0
105.07016	9.6
106.04163	5.1
107.05004	1.8
107.08595	25.8
109.06519	19.5
109.10143	22.1
111.08065	9.9
113.09638	1.8
117.07039	2.0
119.08578	5.4
121.06506	8.9
121.10129	19.3
123.08039	10.3
123.11697	16.7
125.09628	12.4
131.08528	3.0
133.10060	7.6
133.33040	1.5
135.08032	3.4
137.05992	2.0
137.09631	4.5
147.11644	4.6
148.05179	1.7
149.06013	7.1
149.09601	7.7
149.13251	12.1
151.10027	3.0
151.11160	38.4
153.09103	3.6
163.07549	1.9
165.12749	77.9
167.14302	72.3
173.13257	3.8
177.05469	3.5
181.08611	2.8
191.14290	5.0
209.08037	3.0
209.13370	2.6
209.15344	51.6
221.13965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.80484	1.1
53.03942	2.2
53.16018	1.1
54.08608	1.2
55.01873	2.6
55.05505	16.5
57.03422	4.9
57.07061	5.1
59.04998	2.1
60.89622	1.2
65.03947	2.3
67.05504	13.2
69.03412	5.9
69.07060	17.0
69.39751	6.4
71.04979	6.5
76.57663	1.4
77.66956	1.2
79.05488	25.0
81.03413	1.6
81.07050	30.1
83.04963	12.2
83.08618	7.2
85.02901	2.2
85.06528	10.1
91.05481	15.0
93.07036	46.0
95.04959	43.0
95.08596	15.1
97.06519	14.9
97.10159	4.1
99.04441	9.1
99.08082	1.4
99.62743	1.2
103.05441	4.4
104.86118	1.2
105.04524	1.3
105.07022	15.4
105.12925	1.3
106.04169	1.9
107.04935	23.8
107.08580	50.4
108.08931	1.6
109.06507	49.2
109.10136	13.4
111.08083	3.6
113.05977	3.8
115.07529	2.2
117.03432	1.3
117.06999	2.8
119.08580	10.9
121.06498	7.3
121.10131	100.0
122.10473	2.0
123.08050	5.0
123.11674	8.6
124.76601	1.1
125.05949	1.9
125.09613	4.9
126.01077	3.3
129.07027	1.6
131.04941	1.7
131.08533	7.5
133.10107	15.7
135.04417	1.4
135.08047	8.8
135.11688	26.2
135.12657	2.7
137.05948	2.5
137.09541	1.5
137.13222	1.5
139.11116	2.0
145.10127	4.5
147.04329	1.4
147.11670	4.2
148.05164	2.1
149.05974	5.5
149.09613	5.3
149.13264	3.4
151.11172	4.9
153.09076	17.5
159.04472	1.3
163.03929	1.6
163.07368	2.3
163.11172	1.6
163.14812	24.7
165.05440	3.4
167.14288	5.2
173.13225	9.3
177.05423	3.1
191.10597	3.6
191.14285	20.3
194.02148	1.7
209.06161	2.7
209.08101	6.0
209.11859	2.6
209.15317	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03923	0.7
53.78456	0.5
55.01858	1.3
55.05507	30.5
55.29953	0.6
57.03419	0.7
57.07062	2.2
59.04988	1.6
64.98565	0.6
65.03924	1.4
67.05504	4.4
69.03417	2.4
69.07060	9.4
69.17746	0.5
71.04989	2.7
75.25021	0.6
75.68597	0.5
78.04701	0.7
79.05486	8.7
81.07057	7.1
83.04977	33.6
83.08611	15.9
85.06515	1.6
87.41656	0.6
91.05466	8.3
93.03397	1.2
93.07039	33.2
95.04961	20.0
95.08595	6.5
97.06527	4.2
97.10169	4.1
99.04462	4.1
103.05457	1.0
105.04486	0.8
105.07022	6.9
106.04162	2.1
107.08587	33.7
109.06509	10.6
109.10140	9.6
111.08085	4.4
119.06142	0.7
119.08549	3.8
121.06518	2.7
121.10136	100.0
122.10471	2.0
123.08034	1.7
123.11706	4.5
123.14884	0.6
125.05983	0.8
125.09616	5.0
131.08560	1.4
133.10115	5.3
135.08067	1.1
135.11661	3.0
140.97243	0.7
147.11713	0.8
149.05980	4.0
149.09604	0.7
149.13217	3.5
151.11176	14.7
153.09105	5.2
163.11234	0.7
163.14799	20.4
167.14307	24.8
173.13219	3.3
177.05527	1.5
181.08582	0.6
191.14299	7.5
209.07965	0.8
209.13385	0.9
209.15341	17.6
229.71764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	0.7
55.01862	2.9
55.05254	1.0
55.05509	15.2
57.03436	4.7
57.07067	3.1
59.04990	2.7
65.03946	1.6
67.05497	8.2
69.03429	2.9
69.07064	7.5
69.31372	3.1
69.31663	0.9
71.04984	4.8
75.04477	1.1
77.03900	0.8
78.04712	1.4
78.12224	0.5
79.05486	13.0
80.19137	0.5
81.07048	20.4
82.03399	0.6
83.04973	22.0
83.08611	10.5
85.02880	1.0
85.06547	2.1
89.03907	1.1
91.05470	12.0
93.03409	2.5
93.07037	16.4
95.04961	26.5
95.08597	6.2
97.06522	26.8
97.10147	1.7
98.22744	1.0
99.04454	4.6
99.08062	1.2
103.05463	3.9
105.04538	1.5
105.07018	10.7
106.04168	8.2
107.04957	3.1
107.08583	19.7
109.06508	100.0
109.10142	22.3
109.10889	1.3
110.06867	1.4
111.04449	0.8
111.08056	6.5
113.09641	0.8
113.45490	0.6
117.03377	1.2
117.06999	1.9
119.04966	1.0
119.05920	0.6
119.08563	3.7
121.06493	12.0
121.10133	20.8
121.10977	1.3
123.08055	5.3
123.11696	3.9
125.05990	2.4
125.09639	4.4
126.01028	0.6
131.04904	3.4
131.08553	9.8
133.06422	0.6
133.10120	17.9
134.03604	1.9
135.08041	8.8
135.11664	2.7
137.06000	1.4
137.09653	0.7
138.06779	0.5
139.07521	0.8
143.08624	1.3
145.02829	0.9
145.10077	3.7
147.04375	1.0
147.11682	1.5
148.05209	1.9
149.05974	12.1
149.09615	6.3
149.13254	4.8
151.07582	0.9
151.11165	8.7
153.05487	1.1
153.09088	25.2
158.10912	2.0
159.04451	1.7
163.03879	0.8
163.07515	1.4
163.11159	1.7
163.14763	4.9
167.10649	0.7
167.14301	12.8
173.13266	8.2
177.05441	12.1
178.09883	1.4
181.08600	1.5
191.06882	0.8
191.10612	2.4
191.14284	12.3
194.05826	1.0
202.29358	0.6
209.06113	0.8
209.08008	4.7
209.11826	3.8
209.15344	24.6
210.15570	0.7
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	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03936	2.3
55.01866	2.4
55.05507	72.5
57.03432	3.0
57.07064	5.4
59.04985	5.0
65.03923	2.4
67.05502	13.5
69.03422	13.4
69.07053	10.6
71.04987	7.3
79.05498	11.4
81.07049	21.3
82.44979	1.4
83.04974	100.0
83.08617	44.8
85.06540	5.7
91.05485	8.6
93.07036	21.5
93.27214	1.7
95.04955	32.1
95.08589	13.2
97.06525	13.9
97.10151	16.3
99.04446	6.7
99.08078	4.5
105.07024	10.9
107.08585	41.0
109.06508	38.9
109.10146	36.2
111.08070	11.3
113.06008	2.6
113.09637	2.4
119.08575	4.8
121.06487	6.6
121.10129	43.5
123.08017	3.3
123.11028	1.4
123.11717	13.9
125.06011	3.2
125.09624	35.9
131.08549	6.8
133.10114	15.7
135.08017	8.8
135.11690	9.3
137.09656	2.6
139.07498	1.8
139.11188	3.3
145.10114	4.3
147.11662	2.1
149.05965	3.1
149.09586	16.6
149.13223	13.4
151.11159	44.6
152.62453	1.8
153.09085	19.7
163.11218	2.4
163.14851	11.9
165.12714	2.1
167.07013	4.4
167.14299	72.3
173.13187	8.5
177.05400	2.9
191.14270	17.7
194.05739	2.6
209.08090	5.7
209.11882	2.2
209.15335	51.9
217.59419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01864	2.7
55.05502	23.8
56.24595	1.8
57.03432	9.9
57.07062	5.3
59.04979	7.0
64.55194	2.2
65.03918	2.6
67.05493	19.1
68.99763	3.0
69.03413	10.3
69.06709	2.3
69.07060	26.6
70.80111	3.3
71.04994	9.0
72.84589	2.0
78.04700	2.5
79.05483	23.7
81.03391	3.5
81.07045	42.6
83.01337	12.9
83.04968	24.3
83.08605	12.2
85.02893	3.0
85.06516	9.4
91.05456	20.3
93.03393	2.3
93.07030	47.9
95.04961	14.8
95.08594	31.9
97.06513	18.0
97.10164	4.4
99.08086	31.2
103.05444	5.9
105.07014	23.6
106.04150	3.9
107.04921	6.5
107.08584	77.1
109.06497	19.3
109.09512	2.8
109.10155	28.7
111.08070	18.3
117.06932	3.2
119.08564	12.1
121.06491	27.0
121.10126	44.5
123.08067	23.5
123.11660	9.6
125.05977	12.3
125.09608	21.9
129.06999	2.7
131.08551	16.8
133.10115	29.0
135.08044	23.3
135.11674	7.7
137.09592	11.7
139.07529	16.4
139.11130	7.4
143.08507	4.0
145.10103	7.2
147.11671	6.8
148.05159	4.2
149.05962	6.3
149.09596	100.0
149.13245	31.7
151.11157	56.4
153.09084	17.4
154.09912	3.5
158.10916	2.4
163.06511	2.8
163.11145	4.8
163.14783	14.7
165.12624	2.6
167.10757	2.4
173.13254	22.0
177.05417	5.2
181.15825	2.6
191.14299	37.1
194.05727	4.5
209.08073	8.1
209.13326	3.7
209.15337	72.7
210.58269	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	1.3
55.01839	1.2
55.05502	3.4
57.03421	3.3
57.07065	2.6
59.04985	2.6
67.05502	6.8
69.03445	1.0
69.07062	4.0
69.60238	2.7
71.04990	2.7
77.03896	1.1
79.05482	11.7
81.03439	0.8
81.07051	20.9
83.04973	2.7
83.08604	3.0
85.06529	2.4
85.10206	1.0
91.05459	6.7
93.07037	10.2
95.04963	19.1
95.08600	6.8
97.06526	30.0
98.23381	1.9
99.04448	2.1
99.08083	1.3
105.06998	6.5
106.04147	1.6
107.04948	1.4
107.08582	14.7
109.06507	100.0
109.10143	19.0
110.06804	1.3
111.08063	3.4
117.07018	1.7
119.04898	1.0
119.08565	4.1
121.06506	4.4
121.10151	17.5
123.08060	5.3
123.11697	1.6
125.09656	3.1
131.08546	4.6
133.10114	18.6
135.08028	9.5
135.11661	1.3
137.09615	1.1
143.08524	1.3
145.10072	1.9
147.04379	1.2
147.08055	1.6
147.11697	1.1
149.05983	2.2
149.09621	2.7
149.13266	4.0
151.11110	2.8
153.05476	0.9
153.09090	22.2
158.10886	2.0
163.07539	3.1
163.14841	3.8
168.07854	1.1
168.74646	0.8
173.13234	7.8
177.05484	0.9
177.09093	1.3
178.09880	6.8
179.06995	1.5
181.08601	4.4
191.14288	10.3
194.09390	2.6
209.11771	5.3
209.15341	16.5
209.17207	1.3
228.86974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	2.3
55.05513	3.3
57.03416	1.1
57.07064	1.5
59.04992	1.8
65.03920	0.9
67.05508	5.8
69.03421	14.1
69.07058	6.5
69.17809	4.7
71.04995	1.6
77.13618	0.9
79.05489	4.2
81.03408	12.4
81.07038	11.3
83.04979	5.0
83.08601	0.8
87.37613	0.7
91.05477	5.8
93.07040	6.9
95.04954	7.4
95.08595	13.0
97.06551	2.0
98.23427	1.6
99.08086	1.6
103.05454	1.1
105.07018	6.3
106.04174	1.4
107.04946	1.6
107.08585	14.1
109.06509	11.7
109.10136	2.7
111.08086	0.9
116.98959	0.9
119.08561	5.6
121.06499	4.4
121.09274	1.3
121.10130	18.5
123.08073	10.9
123.11698	8.2
125.09649	1.9
131.08536	1.5
133.10094	4.0
135.08061	3.5
135.11707	2.1
137.09570	3.5
137.13257	3.0
139.11122	1.0
145.10130	1.5
147.11668	3.7
149.05963	3.2
149.09587	11.0
149.13240	10.0
151.11162	14.6
153.09163	0.8
158.10913	0.9
163.08699	0.8
163.14812	2.7
165.12738	100.0
166.13080	1.7
173.13307	4.3
177.05458	1.3
191.14249	9.4
199.47943	0.8
209.04362	1.2
209.08072	0.8
209.15346	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.16125	2.1
55.01860	2.9
55.05504	3.7
57.07063	1.9
64.08965	2.4
65.03938	2.0
67.05495	6.3
69.03410	8.2
69.07066	3.8
69.37383	9.1
79.05480	11.5
81.07047	23.3
83.04935	2.3
83.08616	2.0
91.05472	21.0
93.03407	5.2
93.07033	8.9
95.04947	6.2
95.08604	6.0
97.06503	3.4
98.22735	4.4
103.05439	4.2
105.07022	12.3
106.04164	11.0
107.04934	4.0
107.08588	30.2
109.06504	13.7
109.10144	8.8
115.05431	3.9
117.06991	3.7
117.10591	1.7
119.06084	2.2
119.08544	6.1
121.06530	10.1
121.07458	1.9
121.10114	21.3
122.07272	6.0
123.08055	3.1
125.05962	4.4
131.08536	4.2
133.10118	100.0
134.03612	2.7
135.08028	23.7
137.05989	2.6
137.09595	75.6
145.10097	2.4
149.05936	17.0
149.13229	17.6
150.53918	2.1
151.07544	2.0
151.11163	2.5
153.09077	2.3
173.13232	7.6
177.05453	8.6
181.08601	3.5
191.14294	9.9
209.08052	4.2
209.13434	3.1
209.15349	8.3
212.36514	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	0.8
53.09483	0.9
55.01858	1.0
55.05499	7.1
57.07071	3.4
59.04997	3.2
67.05502	9.0
69.03426	10.2
69.07066	15.4
69.62371	3.4
71.05000	8.4
77.03881	1.0
79.05482	8.5
81.07053	14.7
83.04977	16.8
83.08618	5.3
85.06526	1.2
91.05473	6.5
93.07034	11.8
95.04964	11.1
95.08598	25.6
97.06532	6.6
99.04475	0.9
99.08099	3.7
103.05516	0.9
105.07017	9.1
106.04158	1.3
107.04955	1.0
107.08588	36.0
109.06498	9.6
109.10143	14.1
111.08083	3.7
111.62913	0.8
113.09638	1.9
117.07024	1.1
119.08586	4.3
121.06494	6.4
121.10137	34.4
123.08075	6.2
123.11687	4.4
125.09601	10.5
131.08546	5.8
133.10117	14.0
135.08044	14.0
135.11676	7.0
137.09590	2.6
139.11203	3.9
143.08551	1.7
145.10143	2.5
147.11662	7.7
149.05986	1.3
149.09616	11.2
149.13249	17.2
151.11168	100.0
152.11494	1.6
153.09100	3.1
158.10936	3.5
163.11224	1.8
163.14815	8.9
165.12741	7.0
167.14320	1.9
173.13242	14.7
191.14294	39.6
209.15321	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03925	2.6
55.01849	1.5
55.05498	5.5
57.03429	1.1
57.07060	1.9
59.04988	1.3
59.66741	0.7
60.10950	0.7
65.03923	2.1
67.05504	6.3
69.03422	13.8
69.07060	6.6
69.82893	2.5
71.04964	1.9
73.88874	0.8
75.04452	0.7
77.03940	0.8
78.04683	1.3
79.05458	4.9
81.02969	0.9
81.03411	12.5
81.07043	11.7
83.04968	4.5
83.08582	2.2
85.02887	1.4
89.03926	0.8
91.05458	9.1
93.03369	3.3
93.07027	8.4
95.04965	12.1
95.08595	10.9
97.06511	2.8
98.22775	1.5
99.08082	1.7
103.05435	2.2
105.04470	1.0
105.07021	7.7
106.04153	8.1
107.04932	1.4
107.08586	12.0
109.06507	14.4
109.10142	3.1
111.08077	1.4
117.06998	0.9
119.08561	7.7
121.06495	8.4
121.10133	17.4
123.08058	11.6
123.11684	8.1
125.05953	2.8
125.09600	0.8
131.04936	1.4
131.08551	1.2
133.10077	2.1
134.03479	0.9
135.08009	3.6
135.11667	1.5
137.05939	1.8
137.09583	3.1
137.13199	1.7
145.10091	1.6
147.11620	4.3
148.05174	1.4
149.05978	8.1
149.09599	12.8
149.13240	9.1
151.07501	1.1
151.11145	7.8
152.66949	0.8
153.09076	3.0
163.07510	1.2
163.11150	1.4
163.14886	1.0
165.12737	100.0
166.13033	1.9
167.14291	2.8
173.13216	2.1
177.05386	3.7
179.08415	0.8
181.08543	1.1
181.09991	0.9
191.07028	1.1
191.14261	2.9
207.66371	0.8
209.08000	2.9
209.13475	1.9
209.15321	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	0.8
55.01869	4.8
55.05506	3.9
55.48051	0.5
57.03434	0.8
57.07060	1.3
57.86695	0.6
65.03921	1.1
67.05505	4.0
67.33195	0.5
69.03409	2.3
69.07066	8.4
69.17758	1.2
69.18157	2.1
71.04972	1.6
77.03889	0.6
78.04678	0.7
79.05489	6.6
81.06622	0.8
81.07054	7.9
83.04975	3.1
83.08618	1.6
91.05463	8.1
93.03387	1.8
93.07037	17.3
94.07345	0.5
95.04964	3.9
95.08594	6.2
97.06529	3.0
98.23518	1.0
99.08115	0.8
103.05438	1.8
105.07024	8.5
106.04144	3.2
107.04955	1.3
107.08586	29.6
109.06502	3.1
109.10139	3.1
111.08060	1.1
115.05469	0.5
117.07004	2.6
119.06081	0.5
119.07745	0.8
119.08567	10.8
121.06499	11.1
121.10136	11.7
123.04438	0.6
123.08058	4.1
123.11655	0.7
125.05972	1.2
125.09643	0.9
129.06984	0.7
131.04919	0.6
131.08562	12.4
131.60464	0.5
133.06485	1.0
133.10124	8.6
135.08043	10.2
135.11691	3.2
137.05913	0.7
137.09596	2.0
139.07623	0.6
139.11192	1.0
143.08493	1.0
145.10103	5.6
147.08055	4.4
147.11671	43.4
148.11969	0.9
149.05948	4.7
149.09610	15.2
149.13243	22.6
151.10030	0.9
151.11179	11.8
153.09050	1.4
158.10866	2.1
161.09579	1.1
162.10423	0.6
163.11153	1.7
163.14806	3.1
165.12833	0.8
167.10620	1.7
173.13248	17.3
176.11971	3.6
177.05415	1.9
181.08543	2.0
181.10069	0.8
191.14291	100.0
192.14656	2.9
194.10945	0.7
209.08092	2.3
209.13362	1.5
209.15309	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	211.0964
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
52.13912	0.6
53.03933	0.8
54.60292	0.6
55.01619	0.8
55.01870	8.1
55.05503	1.9
57.03436	2.9
59.04990	0.8
65.03640	0.5
65.03922	3.6
67.05500	3.3
69.03416	1.9
69.07059	1.8
69.63358	0.6
70.06588	0.7
70.67824	0.9
71.04986	1.4
77.03918	2.2
78.04704	2.3
79.05486	11.8
81.07050	5.8
83.04981	0.9
85.02882	1.2
91.05473	100.0
92.05811	1.2
93.07035	7.0
94.04198	1.3
95.04964	11.5
95.08624	3.0
96.05273	0.8
97.06521	0.8
99.04461	1.5
103.05465	8.5
105.03388	8.8
105.04514	2.0
105.07019	14.1
106.04186	1.1
107.04947	23.8
107.08585	1.9
108.05730	2.3
109.06515	16.2
109.10153	2.9
111.04398	1.0
111.08080	1.0
115.05464	1.8
118.04145	3.6
118.50935	0.7
119.04933	65.8
119.08572	2.8
121.05617	0.9
121.06496	18.2
122.07312	1.5
123.04417	4.6
123.08064	8.3
124.05209	2.1
125.02328	0.7
125.05984	1.1
125.09622	2.3
126.01046	0.8
131.04898	0.6
131.06076	1.0
133.06477	9.8
133.10120	4.6
134.03619	11.3
134.04564	0.9
135.04417	1.9
135.08022	1.7
135.11674	1.4
136.05173	2.6
136.11259	0.8
137.05977	5.0
137.09598	1.2
138.12732	0.8
140.04681	1.8
147.04396	10.8
147.11629	1.0
149.05977	21.4
149.07187	1.3
150.06718	0.9
151.03972	1.8
151.07524	31.5
152.04694	0.8
153.05450	12.7
161.05974	5.6
165.05472	1.7
165.09117	1.0
166.06279	2.3
167.07027	29.1
168.07817	8.1
168.09158	0.9
175.14841	2.6
179.07014	9.7
179.15456	0.8
180.07779	0.8
181.08580	5.0
193.08504	3.0
193.16011	0.9
196.07260	3.5
211.07611	1.1
211.09583	11.8
211.13097	1.1
211.16827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02401	0.8
53.03938	1.4
55.01870	11.0
57.03403	1.3
65.03931	4.4
67.05499	1.8
70.67367	1.4
77.03919	3.0
78.04716	1.2
79.05488	12.9
81.07053	3.5
84.87844	0.7
85.02890	1.8
88.11201	0.6
91.05473	85.7
92.05772	0.8
92.06262	0.8
92.62656	0.7
93.07037	6.4
93.26469	0.7
94.04173	1.2
95.04953	8.9
95.08603	0.9
96.45779	0.7
97.38889	0.9
103.05463	11.1
105.03391	14.8
105.04516	2.6
105.07021	17.2
106.04203	1.1
107.04951	34.5
108.05731	3.3
109.06514	22.1
115.05454	1.0
118.04146	5.3
119.04933	100.0
120.05192	1.0
121.06499	25.8
122.07259	1.5
123.04429	5.6
123.08056	10.7
124.05206	2.7
126.01101	1.0
131.04926	1.6
131.06000	0.8
133.06482	12.3
133.07397	1.5
133.10187	0.8
134.03613	14.4
135.04431	1.4
135.08002	1.7
136.05290	1.4
137.05972	6.1
147.04390	15.7
149.05968	33.0
149.07167	1.6
151.03951	1.2
151.07533	46.7
152.04663	1.0
161.05951	8.2
161.07158	1.1
165.05487	1.8
165.09132	1.4
166.06258	2.0
167.07027	37.3
168.07539	0.7
179.07021	15.2
180.07695	1.0
181.08577	8.8
193.08563	0.9
211.07640	1.1
211.09604	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	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.51369	0.6
52.79737	0.7
53.03929	1.2
55.01868	4.1
55.05504	3.4
57.03431	1.6
59.04995	1.0
65.03925	2.4
66.04691	0.7
67.05491	6.3
67.43163	0.5
69.03421	6.6
69.07037	1.3
70.44538	0.5
71.04988	0.8
71.42963	0.9
75.04453	1.0
77.03887	1.4
78.04688	1.1
79.05483	16.1
79.17375	0.5
81.03414	0.9
81.07047	4.2
82.43259	0.6
83.04978	3.0
83.08592	1.4
85.06557	1.4
89.99821	0.5
90.04674	1.8
91.05473	21.7
92.06254	1.8
93.03411	1.0
93.07034	4.8
94.04190	0.8
95.04949	12.8
95.08581	3.8
97.02887	1.0
97.06520	1.9
99.08066	0.7
103.05455	12.5
104.06232	1.3
105.03368	1.4
105.04497	2.4
105.07019	30.7
105.07733	1.5
106.04161	1.0
107.04958	6.7
107.08562	2.1
108.05732	2.2
109.02871	1.4
109.06516	3.8
109.10143	2.9
110.03648	2.7
111.04418	1.2
111.08061	1.4
115.05435	2.5
115.65929	0.6
117.07019	1.2
118.04147	13.4
119.04151	1.1
119.04931	10.4
119.05777	1.1
119.06059	0.6
119.08564	1.6
120.05698	2.5
121.02849	1.6
121.03929	0.7
121.06494	6.6
121.10130	1.0
122.03629	1.1
122.07276	3.5
123.04416	51.0
123.08050	6.6
123.11704	1.2
124.05231	1.3
125.06023	1.1
125.09612	10.1
126.01015	0.9
131.04906	1.7
132.05692	1.5
132.71391	0.6
133.06471	27.0
133.10092	2.7
134.07262	1.7
135.04405	5.5
135.08014	4.5
135.11719	1.0
135.98474	0.7
136.05159	2.0
137.05968	9.4
137.09586	1.3
139.07623	0.7
146.03607	2.8
147.04408	7.0
147.11702	1.1
148.05173	1.7
149.05962	8.1
149.09578	1.0
149.13206	0.9
150.06752	17.2
150.10031	1.0
151.03931	4.6
151.07532	33.3
151.11197	0.7
152.07898	0.7
161.05951	4.4
161.07111	2.2
165.05487	0.7
165.09099	15.5
165.12727	0.7
166.06239	0.7
167.07031	15.5
175.14825	0.9
178.06252	0.9
179.07011	100.0
180.07449	2.5
181.08594	2.3
193.08574	41.1
194.11801	0.8
211.07474	2.8
211.09547	15.6
211.12956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.16711	1.0
52.57518	0.8
53.03946	1.7
55.01866	4.7
55.05504	3.9
57.03423	2.7
57.07056	1.1
59.04992	1.0
65.03924	2.2
65.34788	0.8
67.05493	6.8
68.43726	0.7
68.99802	1.3
69.03419	7.0
69.07059	2.1
69.19492	4.6
71.04980	1.9
77.03921	1.9
78.04719	1.1
79.05486	17.7
80.05830	1.3
81.03427	1.9
81.07057	4.5
83.04974	2.2
83.08636	2.0
90.04692	2.5
91.05477	23.5
92.06263	1.2
93.03386	1.3
93.07037	6.1
94.04174	2.0
95.04960	13.5
95.08586	4.4
97.02874	1.2
97.06519	1.8
99.08067	1.2
103.05469	11.1
104.06236	2.4
105.04508	2.0
105.07024	32.5
107.04945	6.1
107.08573	4.4
108.04471	0.9
108.05733	3.4
109.02895	1.4
109.06516	5.6
109.10129	4.2
110.03658	4.0
111.04422	2.5
111.08112	2.1
115.05417	2.6
117.38178	0.9
118.04150	12.8
119.04955	10.8
119.08595	1.5
120.05705	3.0
120.74174	0.8
121.02815	2.6
121.06512	8.2
122.03632	1.2
122.07265	3.8
123.04425	58.1
123.08073	8.0
123.11691	1.8
124.05196	2.2
125.05912	1.1
125.09623	9.6
129.78099	0.8
131.04893	1.3
132.05675	2.0
133.06485	23.8
133.10112	2.2
134.07237	2.0
135.04401	5.7
135.08047	4.4
136.05208	1.7
137.05963	8.9
137.09512	0.8
143.55205	0.8
146.03641	3.3
147.04385	6.1
147.11748	0.9
148.05179	2.1
149.05975	9.7
149.09573	1.0
150.06749	17.8
151.03880	4.1
151.07542	32.3
151.11208	2.0
152.07852	1.2
161.05968	5.6
161.07161	2.1
163.07515	0.8
164.04678	0.9
165.09100	15.8
166.12289	0.9
167.07037	17.5
178.06271	1.9
179.07022	100.0
180.07607	1.1
181.08623	2.4
193.08597	33.5
211.04189	1.0
211.07631	2.0
211.09557	13.3
211.11331	1.6
211.13098	0.9
211.16988	1.7
232.08099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.07846	0.5
53.03935	1.6
55.01875	3.2
55.05503	3.2
57.03431	1.1
65.03941	1.5
67.05490	5.8
68.99798	0.9
69.03429	1.1
69.07061	0.9
69.77184	1.6
69.77573	1.4
70.06570	1.8
78.04668	0.9
79.05486	11.5
80.06272	0.9
81.03397	5.0
81.07048	3.5
82.33121	0.6
83.04972	3.4
83.08616	1.6
85.02921	0.7
90.04691	1.0
91.04934	1.2
91.05472	16.0
92.06219	0.8
93.03378	1.0
93.07029	4.0
94.04189	0.7
95.04960	12.4
95.08595	2.5
97.06514	1.3
98.22832	1.2
98.23347	0.8
103.05470	6.9
105.03450	0.8
105.04469	1.6
105.07021	23.3
106.04192	0.8
107.04943	5.7
107.08546	0.8
108.05729	1.7
109.02908	0.8
109.06499	3.4
109.89118	0.7
110.03637	3.1
111.04411	1.3
111.08086	1.0
115.05444	1.5
118.04158	7.3
119.04933	9.0
119.08576	1.5
120.05713	1.5
121.02847	1.2
121.06480	5.9
122.03658	0.9
122.07270	2.1
123.04415	52.1
123.08036	5.4
124.05211	0.9
125.05984	1.0
131.04929	0.7
133.06483	18.1
133.07507	1.2
133.10173	0.8
134.07271	1.7
135.04440	4.0
135.08034	2.9
136.05173	1.8
137.05951	5.7
146.03612	1.2
147.04420	6.2
147.11606	0.8
148.05136	1.1
149.05951	6.8
150.06758	9.6
151.02151	0.7
151.03946	3.8
151.07526	32.2
152.07903	0.8
161.05923	2.5
161.07091	2.3
164.04680	0.8
165.05476	0.8
165.09116	10.2
167.07021	15.8
175.11180	0.7
178.06256	0.7
179.07010	100.0
180.07454	2.5
181.08562	2.8
193.08565	24.3
193.12245	1.7
211.09607	16.1
211.12772	1.1
211.14870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.29609	0.7
53.03939	1.8
55.01865	3.3
55.05510	2.2
57.03433	2.2
65.03951	1.7
67.05495	4.8
69.03430	1.7
70.80123	1.5
76.26931	0.7
77.03922	0.8
77.71715	0.7
78.04677	1.0
79.05494	13.2
81.03428	4.9
81.07048	2.7
83.04980	2.3
83.08620	1.2
90.04692	1.0
91.05470	14.0
92.06248	1.2
93.03387	1.0
93.07040	2.4
94.04144	0.9
95.04962	11.0
95.08619	2.5
103.05465	8.8
104.80523	0.8
105.03402	1.4
105.04504	0.7
105.07024	25.4
106.74133	0.8
107.04926	4.5
107.08553	1.0
108.05699	1.4
109.02910	1.2
109.06543	3.0
110.03683	1.5
115.05452	2.5
118.04163	9.9
119.04932	8.3
119.08610	0.9
120.05757	1.1
121.02868	1.6
121.06477	4.2
122.07288	1.9
123.04420	42.3
123.08046	5.7
124.05238	1.1
125.05937	0.9
131.04945	1.1
133.06487	20.4
133.07503	1.0
135.04395	3.7
135.08047	3.2
136.05197	1.4
137.05989	5.5
146.03671	1.4
147.04356	5.0
147.11716	0.9
149.05972	6.5
150.06744	13.6
151.03929	3.7
151.07530	28.8
152.07927	0.9
161.05980	1.7
161.07150	2.6
165.05464	0.8
165.09099	13.9
167.07014	9.9
178.06284	1.8
179.07018	100.0
180.07483	2.7
181.08636	1.2
191.60477	0.8
193.08582	31.7
193.12230	1.1
198.98953	0.8
211.07654	1.8
211.09595	14.9
211.13118	0.8
230.33615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.23218	0.9
53.03938	4.6
55.01862	5.1
55.05507	39.2
57.03431	10.6
57.91785	0.9
59.04994	1.5
65.03922	1.1
67.05499	29.9
67.53406	0.9
69.03429	11.1
69.07066	10.3
70.08463	1.2
70.08800	1.6
71.05003	6.3
77.31349	0.9
79.05486	33.4
81.03410	100.0
81.07048	39.5
83.04974	48.8
83.08609	32.1
85.06535	2.6
91.05473	32.3
91.06040	1.6
93.07040	18.3
95.04344	1.8
95.04958	32.4
95.08599	17.4
97.02900	2.6
97.06517	6.1
97.10154	6.9
99.08064	1.5
104.34827	1.1
105.07019	25.0
107.04971	7.1
107.08588	9.3
108.86972	0.9
109.06516	6.0
109.10143	6.4
109.65952	1.0
111.04449	4.0
111.08067	10.8
113.05997	1.3
115.05473	1.1
117.07011	2.1
119.04979	1.9
119.08578	19.3
121.06512	1.5
121.10127	7.6
123.08062	4.0
125.09615	2.6
129.06990	9.7
131.08560	10.0
132.90251	0.9
133.06497	3.7
133.10118	10.9
133.74930	0.9
135.11690	2.7
137.09615	3.4
139.11208	1.4
142.07765	3.2
145.10115	1.9
147.08044	4.7
147.11676	15.6
149.09549	7.5
149.13196	1.0
151.11188	1.5
155.08572	1.0
157.10124	13.8
162.75903	1.0
165.12776	3.9
167.10764	1.2
175.11176	15.2
175.14845	1.1
179.06836	0.9
181.10126	1.3
193.12221	31.9
211.13217	15.5
211.14845	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03923	5.0
55.01861	4.8
55.05507	50.8
57.03430	9.3
57.07061	1.5
59.04995	2.0
60.14301	0.9
65.03931	1.3
67.05499	40.0
67.94289	1.0
69.03423	11.8
69.07062	16.4
71.04992	6.4
73.97485	1.0
79.05483	33.5
81.03410	100.0
81.07046	45.1
81.07416	0.7
83.04974	50.0
83.08612	35.0
85.02891	5.0
85.06525	3.4
91.05470	37.6
93.07037	24.6
95.04960	32.7
95.08596	30.4
95.09208	1.6
97.02879	3.0
97.06552	6.3
97.10158	9.3
98.22456	1.0
99.08099	1.6
105.04480	1.6
105.06351	1.8
105.07023	27.0
107.04945	5.9
107.08588	10.3
109.06539	5.9
109.10157	12.2
111.04418	2.9
111.08077	10.8
115.05424	2.1
117.06995	2.2
119.04851	1.5
119.08570	21.1
121.06481	1.1
121.10136	10.6
121.30490	0.9
123.08047	2.2
125.09615	2.6
128.06223	1.2
129.07004	10.2
131.08543	12.6
133.06462	2.6
133.10110	13.3
135.11711	1.4
137.09624	3.8
142.07761	3.0
147.08057	3.2
147.11665	12.6
149.09618	6.0
157.10109	16.2
165.12735	2.9
167.88089	0.9
169.12242	1.9
175.11172	12.7
175.14839	5.9
193.12209	31.2
193.15854	2.6
211.13223	12.1
211.14896	1.8
211.16725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
51.02379	0.4
53.03939	1.1
55.01876	1.7
55.05503	5.7
57.03434	2.2
57.07070	4.7
59.04991	0.5
63.02473	0.3
65.03934	1.2
67.05502	13.7
69.03410	2.0
69.07062	20.9
71.04988	6.7
73.43224	0.4
77.03920	0.9
78.04704	0.4
79.05483	10.2
81.03408	1.5
81.07053	22.1
83.04972	6.1
83.08622	1.5
85.06539	8.1
91.05473	27.7
92.05808	0.5
93.07038	24.1
94.07397	0.6
95.04960	13.8
95.08602	6.1
97.02929	0.6
97.06499	2.1
99.04459	1.3
99.08088	0.9
103.05453	0.8
105.07021	32.6
106.07341	0.5
107.04940	2.1
107.08585	10.2
109.06509	26.9
109.10144	7.9
110.06799	0.6
111.08064	1.3
113.05990	3.1
117.07019	1.1
119.04927	0.8
119.08569	9.0
121.06503	2.6
121.10159	3.2
123.04432	2.1
123.08074	1.7
123.10866	0.6
123.11687	5.2
125.05988	1.5
125.09652	0.9
127.07574	2.5
129.06923	0.9
131.08563	8.3
132.08835	0.4
133.06488	1.2
133.10115	100.0
134.10464	2.3
135.08038	1.0
135.11684	0.6
137.05972	10.6
137.09589	1.1
139.07541	0.7
141.05496	0.6
142.07817	0.8
143.07007	0.5
147.08049	0.8
147.11670	22.7
148.12042	0.4
149.05925	2.0
149.09608	3.0
151.07611	4.1
151.11169	63.8
152.11508	1.4
153.06985	0.6
155.07013	18.5
155.08286	0.7
157.10030	1.9
161.05890	0.5
165.05472	1.3
165.06967	0.5
165.09085	0.4
165.12755	5.0
167.07024	9.2
168.09222	0.5
169.08653	1.0
169.12376	0.5
175.11180	9.0
175.14781	0.9
180.07797	0.5
181.08597	1.9
183.11586	0.7
193.04953	1.1
193.12225	23.6
194.12610	0.5
194.15311	0.4
196.08818	0.8
211.05928	1.2
211.07727	0.7
211.11206	1.5
211.13249	15.2
211.16818	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.26133	1.2
53.03934	3.1
53.10246	1.3
55.01857	4.4
55.05258	1.8
55.05505	33.1
56.76620	1.4
57.03429	12.2
57.07074	6.7
59.04981	4.6
65.03927	3.6
67.05495	64.9
69.03432	12.8
69.07059	58.7
69.31425	7.7
71.04986	89.0
77.03931	2.0
77.93595	1.3
79.05484	23.5
80.99006	1.3
81.02959	2.4
81.03407	36.4
81.07048	60.3
83.04971	39.0
83.08188	2.0
83.08614	23.5
85.02882	2.5
85.06532	12.6
91.04948	1.9
91.05469	31.3
93.06445	2.2
93.07037	44.7
95.04958	37.0
95.08595	64.1
97.06513	17.1
97.10152	5.7
99.04440	3.8
99.08068	11.1
103.05485	2.4
105.04487	2.5
105.07027	42.2
107.04938	5.3
107.08580	37.6
107.81107	1.5
109.06507	18.8
109.10143	100.0
111.04388	1.7
111.08075	12.8
113.05995	59.8
113.09605	2.8
115.07551	5.9
115.37311	1.3
116.46690	1.5
117.06971	3.3
119.04909	2.0
119.08567	55.8
121.06481	4.8
121.10135	24.7
123.04410	14.7
123.08056	22.5
123.11699	16.9
125.06018	2.9
125.09589	6.1
127.03864	2.7
127.07529	1.8
127.11131	1.4
129.06964	5.9
131.08525	4.4
133.06471	5.2
133.10112	59.6
135.08032	5.1
135.11676	60.2
137.05971	14.5
137.08589	3.1
137.09596	43.6
139.11124	5.8
141.05466	24.1
142.07765	2.6
145.10100	2.6
147.08015	2.3
147.11670	73.8
149.05949	2.0
149.09555	4.8
149.13258	10.1
151.07568	8.0
151.11151	15.1
151.14803	9.1
153.12717	2.9
155.08490	2.0
157.10107	11.1
159.06470	2.0
163.14781	3.0
165.07019	1.5
165.09087	1.6
165.12747	15.7
165.16342	4.0
167.07010	26.6
167.08342	2.8
167.10687	3.7
169.10156	2.8
169.12157	1.5
172.33823	1.4
175.11166	30.6
175.14793	25.5
179.07007	19.2
183.11525	1.6
193.08539	6.2
193.12222	43.1
193.15871	40.9
211.07509	4.2
211.09608	2.9
211.13234	77.3
211.16869	10.5
212.13535	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03944	5.2
55.01872	6.6
55.05507	47.1
57.03430	8.6
57.07071	1.7
65.03917	2.4
67.05495	31.7
69.03426	10.2
69.07056	10.3
70.79118	1.6
71.04990	5.2
77.03936	1.9
79.05042	2.2
79.05486	29.6
81.03410	100.0
81.07047	36.8
82.03671	1.1
83.04973	53.0
83.08609	29.6
85.06537	3.3
90.62379	1.2
91.05472	33.2
92.39929	1.2
93.07029	17.6
95.04964	32.9
95.08591	12.8
97.02887	3.8
97.06516	4.8
97.10164	6.7
98.06018	1.0
99.08046	2.2
105.04460	1.8
105.07021	25.7
107.04946	8.3
107.08588	10.3
109.06501	6.4
109.10139	4.9
111.04449	2.4
111.08060	11.5
115.05415	2.0
117.07044	1.8
119.08570	22.1
121.06462	2.0
121.10130	9.1
123.04434	2.3
123.08064	4.3
123.11664	1.6
125.09613	2.6
129.06979	12.4
129.73466	1.0
131.08557	11.6
133.06480	3.1
133.10115	12.8
135.11685	2.4
137.09578	2.1
142.07750	3.2
145.10210	1.3
147.08032	3.7
147.11659	12.6
149.09563	5.5
151.07489	1.6
151.42302	1.0
157.10104	16.3
165.12724	4.2
167.07040	4.0
169.10097	1.6
175.11140	13.4
179.06967	4.4
193.12218	31.4
205.39726	1.0
211.13210	11.6
211.14896	2.0
218.55954	1.0
228.15416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03937	4.0
55.01867	6.3
55.05508	46.1
57.03436	8.8
59.04981	1.2
62.07768	0.6
65.03915	1.4
67.05500	30.4
67.43642	0.7
69.03422	9.7
69.06558	3.0
69.07056	13.4
69.07400	0.5
71.04986	5.1
73.02929	0.8
77.03934	1.0
79.05488	33.1
81.03412	100.0
81.07050	38.5
82.03742	1.4
83.04977	52.0
83.08614	32.8
83.74622	0.7
85.02901	0.7
85.06543	2.7
87.04453	1.2
91.05473	32.3
93.07040	18.3
95.04963	35.3
95.08595	11.9
97.02879	3.2
97.06534	4.7
97.10164	8.3
99.04445	0.8
99.08090	1.6
105.04543	0.9
105.07023	23.9
107.04951	7.5
107.08583	8.2
109.06515	6.5
109.10147	2.9
111.04438	3.6
111.08067	11.6
113.06008	0.7
115.05469	2.1
117.06236	0.6
117.07052	1.9
119.04931	1.0
119.08569	18.4
119.96889	0.6
121.06490	1.8
121.10129	6.8
123.08101	3.9
123.11724	1.0
125.06032	0.9
125.09617	2.3
129.06998	12.3
131.08551	11.8
133.06450	3.5
133.10121	11.7
137.09618	1.9
137.13202	0.9
142.07750	4.6
145.10146	1.4
147.08022	3.3
147.11670	12.8
149.09601	6.5
157.10123	15.6
163.11298	0.6
165.12772	3.0
175.11182	13.6
180.93518	0.6
193.12233	33.9
194.12564	0.9
195.78375	0.7
211.13268	15.3
211.15076	1.0
227.31297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.77942	0.9
55.05505	15.4
56.92586	0.9
57.03426	2.9
57.07063	3.7
59.04981	4.5
67.05163	1.4
67.05499	21.9
69.03410	2.3
69.07063	16.6
70.46846	1.3
71.04987	14.6
73.16046	1.0
73.37735	1.0
79.05482	7.6
81.03405	1.7
81.07054	26.7
83.04977	2.6
83.08614	9.5
85.06521	3.3
88.53051	1.0
91.05477	5.4
93.06512	1.7
93.07044	17.3
95.04981	2.8
95.08600	100.0
96.08920	1.2
97.06533	7.1
97.10144	2.6
99.04442	3.3
99.08102	2.3
105.07022	7.5
107.08588	21.0
109.06498	3.8
109.09423	1.8
109.10146	31.5
111.08064	3.3
113.09632	1.5
115.07568	9.3
119.08579	17.9
121.10127	11.0
123.04426	1.5
123.08062	4.6
123.11705	19.2
125.09608	3.7
133.10124	16.9
135.11688	32.3
137.09581	8.8
137.13248	2.7
139.11168	4.2
141.12721	1.8
147.11668	3.9
149.13246	5.9
151.11177	2.3
151.14848	2.1
153.12700	5.4
155.10657	1.8
163.14815	10.1
165.16411	3.5
167.07042	4.2
175.14822	22.9
179.07030	2.2
181.08646	1.6
181.15840	2.9
193.12148	1.5
193.15863	19.3
211.07477	1.3
211.11313	1.1
211.16917	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.25026	0.4
53.03933	0.8
53.88762	0.4
55.05507	12.8
57.03412	0.8
57.07072	4.3
59.04993	2.4
65.03941	0.9
67.05499	28.2
69.03424	8.7
69.07063	16.9
69.07439	0.8
70.76588	0.4
70.76944	0.5
71.04985	3.9
71.08583	0.8
71.28980	0.4
77.03904	0.6
77.72298	0.4
79.05479	4.3
81.07050	27.7
83.04970	11.9
83.08610	8.8
85.06538	3.9
87.08084	0.7
88.38390	0.3
91.05463	4.1
93.07034	11.7
95.04958	2.7
95.08597	36.5
97.06518	1.5
97.10142	2.8
99.08088	4.5
105.07022	8.8
105.44335	0.5
107.08585	26.0
109.06512	13.4
109.10145	100.0
110.10500	1.0
111.08087	3.9
113.09628	1.8
117.07014	1.0
119.08567	25.6
120.08897	0.4
121.10136	10.3
123.08062	14.6
123.11697	9.4
125.09621	1.1
127.11184	0.9
131.08575	0.5
133.10118	18.0
135.11679	67.8
136.12035	1.2
137.09604	17.9
138.10353	0.8
139.11174	2.5
145.10109	0.5
147.11658	1.0
149.13234	5.7
151.11166	11.1
151.14796	10.3
151.15961	0.7
153.12743	3.6
165.16393	2.6
175.14804	20.1
179.06985	0.6
193.14079	0.8
193.15855	16.7
211.16893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.67822	1.3
53.03950	1.3
55.05500	16.4
57.03430	4.5
57.07065	6.1
59.04985	5.3
67.05500	32.8
69.03419	12.9
69.07058	24.9
71.02177	1.8
71.04989	17.4
72.63348	1.2
74.51200	1.3
78.16673	1.2
79.05489	9.4
81.03407	4.6
81.07047	37.5
83.04972	13.4
83.08598	12.9
85.06529	6.3
91.05470	9.1
93.07034	25.1
95.04950	5.6
95.08598	50.4
97.06527	8.1
97.10163	4.5
99.04453	2.5
99.08097	7.1
105.07014	13.9
107.08586	35.8
109.06526	15.2
109.10145	100.0
110.10544	1.5
111.08066	5.2
113.09659	2.1
115.07586	1.7
119.08571	31.1
121.06509	1.7
121.10123	16.2
123.04401	5.4
123.08055	16.1
123.10878	2.4
123.11697	26.7
125.09625	4.8
127.07537	2.7
133.10118	27.5
135.11679	86.9
137.05962	2.3
137.09604	18.4
141.12738	2.7
147.11681	4.3
149.13223	9.3
151.07483	2.7
151.11182	10.6
151.14778	14.5
153.12735	9.3
155.08485	1.7
155.10652	2.9
165.16438	2.3
167.07016	7.6
169.10185	1.6
175.14796	26.4
179.07002	10.4
188.65619	1.3
193.08542	2.0
193.12202	2.0
193.15868	20.9
211.14922	2.9
211.16899	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.39133	1.8
54.42694	1.9
55.01876	2.7
55.05510	39.3
57.03434	4.7
57.07061	8.0
59.05006	20.9
67.05503	36.1
69.03433	8.5
69.04517	2.0
69.07067	24.9
69.76669	2.4
69.83140	4.6
71.04984	14.1
78.15955	1.9
79.05486	14.8
81.07059	40.7
82.29411	2.3
83.04973	49.5
83.08608	14.8
85.06541	6.1
87.04457	2.9
91.05482	18.0
93.07038	45.1
95.04967	18.1
95.08604	63.1
97.06531	10.0
97.10159	4.2
97.74286	2.2
98.23351	3.1
99.04454	17.5
99.08071	7.0
103.05469	6.8
103.20752	2.5
105.07016	16.7
107.04929	3.0
107.08598	30.7
107.09280	3.8
109.06512	10.0
109.10152	100.0
110.10469	3.2
111.08075	19.4
111.48402	2.0
113.05999	4.3
113.09635	2.4
118.04157	6.2
119.04954	5.0
119.08599	16.8
121.06472	3.5
121.10139	11.9
123.04407	3.0
123.08102	2.6
123.11702	17.2
125.09624	8.6
133.06462	12.2
133.10121	16.1
135.04411	2.9
135.11678	25.4
137.05940	2.6
137.09615	39.0
137.13261	2.4
147.11678	3.4
149.05977	7.7
149.13284	2.9
150.06752	6.2
151.07510	3.5
151.11148	5.7
153.12761	8.0
155.10654	25.8
165.09109	5.2
165.16367	20.6
167.07036	20.0
167.14346	2.8
175.14830	19.5
181.08603	4.6
193.08612	12.0
193.15846	16.8
211.07500	4.5
211.09695	2.7
211.16898	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03934	3.3
55.01873	2.8
55.05507	34.3
57.03432	4.7
57.07066	10.3
59.04987	5.4
59.61809	2.0
62.33297	1.5
67.05498	51.6
69.03424	16.6
69.07062	25.9
69.07563	10.2
71.04990	17.4
78.04675	2.0
79.05482	19.4
81.03416	33.2
81.07050	56.7
83.04978	28.7
83.08617	24.4
85.06549	8.0
91.05476	21.3
93.07030	24.6
95.04970	18.9
95.08598	54.2
97.06514	4.0
97.10152	5.7
98.23499	3.3
99.04449	2.7
99.08077	6.8
100.49482	1.6
101.05966	2.3
105.07017	24.9
105.52616	1.8
107.04925	2.6
107.08591	33.8
109.06500	19.6
109.10149	100.0
111.04449	2.2
111.08084	6.6
113.06015	2.0
113.09660	1.9
117.07014	2.4
119.08569	36.6
121.06509	3.5
121.10136	16.7
123.04433	9.9
123.08050	17.3
123.11688	18.6
125.09634	4.5
127.11176	1.8
129.07004	4.6
131.08572	6.6
133.06441	2.4
133.10126	27.1
135.11682	62.3
137.09604	17.1
139.11171	3.0
141.07002	2.3
145.10104	2.1
147.11661	10.5
149.05945	4.7
149.09634	3.4
149.13243	6.6
151.07532	5.6
151.11156	15.5
151.14835	8.6
153.12746	5.3
154.07764	1.6
155.08519	4.0
157.10106	4.4
165.12701	2.8
165.16377	2.7
167.07053	25.8
167.08408	3.1
168.09381	2.1
169.10101	7.7
175.11160	4.7
175.14795	22.9
179.07036	11.6
181.10098	3.7
183.07974	1.9
183.11705	2.3
192.88309	1.6
193.08513	3.0
193.12193	11.2
193.15836	18.1
196.12389	2.2
211.07594	3.9
211.11139	6.3
211.13226	6.7
211.14828	10.4
211.16930	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	213.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92669	17.6
56.76799	16.8
68.62442	17.4
70.46432	43.0
73.45844	18.7
89.40525	18.2
107.74297	17.2
196.04785	100.0
212.85155	85.3
213.07466	27.5
219.68263	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	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03938	1.1
55.01869	1.7
55.61969	0.7
56.96558	1.0
61.02925	10.4
65.03932	10.1
67.05502	3.2
69.07082	1.0
70.06602	1.1
71.06116	1.0
72.02377	0.6
77.03944	1.9
79.05486	22.1
80.15466	0.7
81.07053	1.6
83.08636	0.8
84.04501	1.0
86.09693	1.0
88.07634	1.4
89.03902	1.3
91.05463	5.0
93.03403	7.9
93.07043	1.2
94.04199	1.1
95.04961	8.3
98.97590	1.7
105.03375	2.4
105.04510	2.8
105.07011	1.0
106.04195	0.9
107.04942	30.8
107.08576	1.7
108.02085	3.3
109.02837	1.3
109.06519	1.4
110.03650	29.4
111.04440	16.8
111.08298	0.7
116.98621	1.9
117.03405	1.5
119.04961	1.7
119.08555	1.0
121.04006	1.4
121.06499	12.6
121.10170	1.4
122.03619	6.9
123.04411	1.3
124.05264	0.8
125.05978	70.2
126.06348	1.3
127.03897	0.8
133.02838	14.6
134.03641	1.0
134.99686	1.1
135.04405	30.0
137.05983	5.9
139.91402	0.6
140.04712	1.0
141.05414	5.0
148.97336	1.1
149.05966	24.7
149.07066	1.3
150.03116	10.7
151.03905	100.0
151.05031	16.7
152.04274	1.7
153.01790	1.0
153.05447	13.9
162.03114	2.6
163.03896	9.5
164.04457	0.8
165.05463	45.4
165.09106	1.1
167.07027	15.9
177.05449	22.9
178.05780	0.6
189.00688	0.8
195.06480	12.5
195.08110	1.4
195.11382	1.2
213.07448	6.2
213.12389	0.7
214.10704	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	213.112
Annotation	Melazolide A
Peak:m/z	Relative Intensity
55.01867	1.4
55.05521	0.9
57.03432	1.2
65.03922	0.8
65.24118	0.6
65.63685	0.6
67.05494	1.9
69.03428	1.8
70.67252	1.2
71.04958	0.9
79.05483	10.4
81.07053	3.9
83.04963	1.4
85.02898	1.0
90.95287	0.8
91.05473	26.0
93.07038	24.2
95.04944	2.8
95.08581	2.2
96.96761	0.8
103.05467	1.8
105.07024	41.8
106.07359	1.0
107.04945	1.1
107.08583	70.6
108.08918	1.0
109.06510	3.0
109.10136	0.9
111.04427	0.7
116.06223	2.9
117.07037	3.5
119.08569	100.0
120.08870	1.1
121.06473	2.1
121.10131	29.4
123.08064	3.3
123.11673	0.8
123.55791	0.8
125.02325	0.8
125.05997	1.6
125.09650	1.3
129.06993	3.4
131.08554	36.1
132.08958	0.9
133.06567	3.6
133.07463	1.2
133.10095	4.2
135.04424	1.7
135.08051	6.7
137.05983	1.1
139.03900	0.8
143.02748	0.8
147.08034	42.1
149.09599	33.3
150.09927	0.8
151.11147	2.4
153.05482	3.9
159.08043	10.7
165.09102	34.5
167.07002	1.4
167.10654	7.8
177.07533	1.6
177.09087	32.0
195.10146	27.1
195.11931	1.2
213.07082	1.1
213.09160	1.8
213.11189	25.2
213.13188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.17466	0.3
55.01868	1.2
57.03421	0.5
58.06587	0.3
61.02911	0.5
65.03935	1.2
67.05495	1.4
68.15885	0.3
69.07086	0.5
69.28888	1.2
69.29293	0.7
70.06587	0.9
72.08144	0.7
77.03906	0.7
78.04691	2.8
79.05039	0.7
79.05486	11.4
81.03412	0.4
81.07049	1.3
86.09681	0.9
87.44425	0.3
88.07619	0.8
91.05469	4.3
91.98772	0.4
93.03384	0.4
93.07028	1.3
94.04177	0.6
95.04961	3.6
96.05729	0.8
98.22688	0.6
98.59471	0.3
103.05463	8.2
103.06111	0.6
105.04521	0.8
105.07014	5.9
106.04169	2.0
107.04945	60.5
107.08601	1.4
108.05254	1.0
109.06509	0.9
110.03604	0.7
111.04427	1.0
111.08052	0.3
114.09153	4.4
115.05447	3.8
117.07018	1.3
118.02459	0.3
119.04930	0.8
120.05708	1.8
121.06518	1.7
122.03635	1.0
123.04421	6.4
124.05186	3.8
125.02319	0.3
125.05966	2.9
128.10704	0.4
131.04886	2.1
133.02809	0.7
133.06488	0.9
135.04408	0.9
135.08038	14.6
135.11681	0.8
137.05966	1.4
139.03865	1.1
145.07590	1.6
147.04401	1.2
148.05106	0.4
149.05977	1.5
149.07031	0.5
150.03096	0.6
151.03906	4.7
151.05014	0.6
152.04709	2.3
153.01820	5.8
153.02977	0.4
153.05428	1.0
154.06223	2.2
163.03889	0.7
163.07523	24.5
164.07974	0.5
165.05452	1.9
167.07019	100.0
168.07333	2.0
177.05487	0.4
179.45570	0.3
180.07816	2.8
195.06409	0.7
195.10147	14.2
213.06772	0.5
213.11043	2.0
213.15996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.00307	0.5
53.03939	0.5
53.14362	0.3
54.52504	0.3
55.01865	0.7
58.18539	0.4
60.25557	0.3
65.03922	0.7
67.05509	0.5
69.46907	1.3
69.63494	0.3
70.06551	0.3
71.04992	0.4
71.74317	0.4
77.03925	1.2
78.04713	2.6
78.19040	0.4
79.05038	0.7
79.05484	10.4
81.07046	1.3
91.05467	4.9
93.03387	0.6
93.07043	0.9
94.04188	0.6
95.04951	3.5
97.06505	0.3
98.22740	0.6
99.04453	1.0
103.05463	8.7
105.04502	1.0
105.07025	5.9
106.04141	2.1
107.04945	59.1
107.08582	1.1
108.05284	0.7
108.54987	0.5
109.06500	0.4
110.03685	0.4
111.04501	0.4
115.05448	4.4
117.07011	1.1
119.04961	0.6
120.05682	2.0
121.06511	0.8
122.03627	0.9
123.04403	7.1
124.05218	3.5
125.05984	0.7
131.04878	1.8
133.02884	0.4
133.06483	1.3
134.03607	0.8
135.04431	0.7
135.08043	14.1
135.09068	0.7
136.08401	0.5
137.05956	1.6
139.03893	0.9
145.06548	0.4
145.07585	1.8
147.04372	1.6
149.05965	0.8
151.03885	1.4
152.04637	2.9
153.01756	0.6
154.06235	2.5
163.07523	27.0
164.07855	0.8
165.05502	0.7
167.07022	100.0
168.07341	1.5
180.07837	2.7
195.10135	14.8
195.79408	0.4
213.11111	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03934	0.7
55.01858	0.8
55.05509	0.3
57.03439	0.4
57.97237	0.3
63.00046	0.4
65.03947	0.6
67.05502	0.7
68.99779	0.3
69.03426	1.0
69.07069	0.3
69.18151	1.8
71.67608	0.3
77.03928	0.9
78.04704	2.8
79.05486	10.6
79.05947	0.6
81.03413	0.7
81.07045	1.0
81.55338	0.2
91.05465	3.6
92.06264	0.3
93.07043	0.8
95.04958	3.5
95.08542	0.4
97.02879	0.4
103.05458	8.4
105.03398	0.3
105.04514	0.8
105.07019	6.2
106.04164	2.0
107.04942	60.9
107.08578	0.9
108.05278	0.7
109.02850	0.8
109.06543	0.4
109.88400	0.3
110.03667	0.6
110.10387	0.3
111.04405	0.4
115.05454	3.5
116.06242	0.3
117.07004	1.9
119.04895	0.7
120.05695	2.2
120.06449	0.4
121.06479	0.9
122.03648	1.2
123.04411	6.8
124.05202	3.1
125.05991	1.2
127.03891	0.7
131.04936	2.0
133.02792	0.3
133.06491	0.9
134.03616	0.7
135.04440	0.4
135.08035	14.9
137.05957	1.1
139.03885	0.8
139.07526	0.3
142.07729	0.3
145.06563	0.5
145.07549	1.6
147.04410	1.1
148.05135	0.6
149.05959	0.6
151.03870	1.5
152.04680	2.2
154.06227	2.4
163.07529	25.6
164.07889	0.5
165.05496	0.7
167.07019	100.0
168.07401	1.6
180.07813	3.6
181.08577	0.4
185.41385	0.3
195.10143	14.2
213.07310	0.4
213.09167	0.6
213.11189	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.05502	18.2
57.03431	20.4
57.07054	2.8
67.05163	5.6
67.05502	79.3
69.07067	26.4
71.01345	6.8
71.04986	7.0
71.34812	2.3
71.41807	2.8
79.05485	77.5
81.03403	8.2
81.07042	37.2
81.28717	2.4
82.99072	2.6
83.04980	19.2
83.08598	6.0
85.06531	7.9
88.07621	9.2
91.05479	26.4
93.07040	79.2
95.04949	7.9
95.08604	6.8
97.06519	23.1
97.10146	7.2
98.27498	2.5
99.04411	3.1
99.08083	4.5
105.07040	6.2
107.04882	2.3
107.08585	49.3
109.10168	6.5
117.07026	9.3
119.08578	11.3
121.10157	18.7
125.09565	3.3
129.07024	2.6
133.10129	6.5
135.11679	100.0
136.12076	3.0
137.09605	4.2
143.08553	6.7
145.10104	26.4
157.10170	5.5
163.11177	12.3
171.11659	4.8
181.12242	13.9
203.18556	2.5
213.12692	4.5
213.16397	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.56503	1.5
53.03932	2.5
55.01872	2.6
55.05508	16.9
57.03431	8.6
57.07060	2.9
65.03918	2.2
67.05500	69.5
69.07057	21.1
69.60680	6.4
70.60360	1.6
71.04976	3.9
79.05038	2.7
79.05486	39.5
81.03380	2.4
81.07047	100.0
83.04966	6.9
83.08614	19.8
85.06525	4.5
88.07626	2.5
91.05473	26.8
93.07034	61.7
95.04960	5.2
95.08603	21.6
97.06512	11.6
97.10191	2.0
98.23409	3.8
98.97586	1.8
99.08081	3.0
99.79524	1.5
100.72198	1.7
105.07030	7.6
107.08582	33.9
109.06536	2.2
109.10163	2.2
111.08082	6.7
116.98640	2.4
117.07002	7.5
119.08581	2.0
121.06446	2.2
121.10123	15.0
123.11687	6.3
129.07057	2.5
130.78229	1.6
131.08554	11.5
133.10118	12.6
135.07997	2.4
135.11655	11.3
147.11736	1.6
149.13239	35.2
159.11665	13.3
161.51642	1.7
171.11539	2.0
177.12741	3.9
186.67424	1.6
195.13762	6.2
213.16330	2.5
230.05579	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03928	2.2
55.01847	2.0
55.05510	14.7
57.03428	9.4
57.07063	3.1
58.47016	1.6
62.07844	1.5
65.03949	2.6
67.05499	70.7
69.03400	2.0
69.07059	19.1
71.04980	5.1
71.42889	1.7
71.93345	1.7
79.05488	36.2
81.03406	3.3
81.07052	100.0
83.04961	6.7
83.08609	17.1
85.06529	4.9
85.62096	1.4
88.07638	2.7
91.05466	24.2
93.07038	59.3
95.04958	6.6
95.08601	24.5
97.06531	12.1
97.10217	1.7
98.23228	1.9
99.08076	2.2
105.07013	6.7
107.04947	2.1
107.08590	33.3
109.06525	2.1
109.10166	4.4
111.08083	6.4
117.07004	10.5
119.08594	3.1
119.54706	1.8
121.06512	2.6
121.10121	13.2
123.11658	3.9
129.07001	2.2
130.13959	1.7
131.08540	11.6
133.10117	15.5
135.08049	2.8
135.11691	14.5
142.46370	1.5
143.08586	2.3
145.10095	8.0
149.07002	1.9
149.13237	35.6
159.11699	16.3
171.11633	3.2
177.12732	6.5
195.13774	8.0
213.12964	1.7
213.16406	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01879	3.6
55.05508	16.0
57.03435	24.7
57.07090	3.9
59.06371	2.2
65.03946	3.1
67.05499	75.3
69.07068	24.4
71.01349	7.4
71.04981	8.6
71.41747	2.2
79.05489	64.3
81.03426	8.2
81.07050	31.5
83.04989	19.2
83.08617	4.4
85.06567	5.5
88.07626	8.0
91.05478	25.0
93.06453	3.5
93.07039	73.5
95.04974	9.6
95.08601	9.5
97.06531	20.4
97.10160	9.9
105.07022	8.2
107.08588	42.8
109.06496	2.5
109.10155	6.5
111.08079	2.5
116.06372	2.3
117.07024	5.5
119.08598	10.1
121.07707	2.8
121.10130	19.5
129.06937	4.8
133.10098	6.5
135.11684	100.0
137.09615	2.4
142.07872	4.1
143.08568	7.0
145.10097	23.2
148.96658	2.4
157.10112	6.5
163.11241	11.5
171.11687	7.5
177.10039	2.4
181.12221	15.9
185.13191	3.2
213.12553	6.4
213.16357	16.5
221.59949	2.2
225.79033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03919	3.2
55.01866	16.8
55.05506	76.7
57.03412	1.7
57.07033	1.5
58.60882	1.3
59.04972	2.1
67.05159	2.0
67.05495	27.9
69.03423	8.2
69.07057	16.1
69.36826	5.9
71.04985	72.7
79.05479	23.5
81.03408	1.6
81.07051	31.2
83.04971	6.3
83.08119	2.9
83.08608	46.4
85.06527	4.3
87.04463	11.0
91.05479	7.1
93.07036	16.5
95.04934	1.5
95.08588	11.3
97.06521	92.0
97.10159	63.6
101.09648	2.2
103.01756	1.4
105.06997	4.6
107.04914	2.1
107.08577	20.9
109.10127	14.8
111.08066	4.7
117.07001	4.4
119.08573	1.8
121.06499	2.1
121.10104	4.4
125.09620	37.1
126.09948	1.3
127.93784	1.3
131.08533	5.3
133.10121	4.6
135.08052	7.5
135.11662	6.8
147.11613	1.5
149.13255	4.5
153.09026	1.6
157.10046	2.5
159.11635	4.1
167.07016	3.9
177.12712	6.6
189.11198	8.9
190.26285	1.3
195.13795	43.2
213.09064	3.5
213.14815	100.0
213.84200	1.5
214.15030	2.3
219.45148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01859	4.6
55.05506	16.6
57.07057	3.5
67.05512	7.6
69.03423	2.9
69.07059	21.2
71.04988	3.8
71.42757	1.8
79.05486	10.2
81.03361	1.8
81.07051	25.2
83.04958	1.8
83.08601	15.2
85.06532	6.2
86.67885	1.3
91.05473	4.7
93.07032	20.3
95.04930	2.2
95.08597	42.2
97.02876	1.4
97.10170	12.2
99.08086	33.3
105.07013	6.2
107.04945	12.7
107.08582	41.0
109.02888	2.9
109.06532	2.6
109.10149	13.1
111.08061	16.6
113.09583	3.1
119.06059	2.5
119.08598	2.5
121.10130	76.1
123.08101	1.8
123.11702	3.6
125.09590	9.1
127.03905	4.5
128.06221	2.6
135.08052	3.2
135.11659	12.8
137.05995	3.1
137.13237	12.5
139.11140	3.0
149.13240	5.1
157.10095	4.4
163.07527	7.4
167.07010	18.0
171.08122	1.6
171.11504	1.9
177.16368	100.0
185.09627	2.1
190.11005	1.6
191.08473	1.3
195.07957	2.5
195.10153	3.0
195.17406	12.3
213.09032	3.0
213.12444	4.6
213.16431	2.8
213.18480	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	214.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58427	0.7
55.16682	0.8
56.96559	4.9
60.08156	2.8
69.07059	5.5
69.91109	2.1
70.06584	2.5
71.86519	0.7
72.08137	1.4
80.46533	0.7
82.99837	2.1
83.06081	2.0
84.08133	2.5
85.22845	0.7
86.09695	100.0
87.10022	1.3
93.04533	0.9
93.54204	0.6
95.95985	0.7
97.06517	9.0
98.97566	2.7
100.02457	1.3
101.00864	25.0
106.15636	0.7
111.05544	3.2
112.02391	1.2
113.00837	0.8
116.98624	2.0
118.03508	7.3
118.08651	1.8
119.01907	98.4
120.02005	2.3
125.98415	0.7
130.03510	3.9
131.01895	5.2
132.05043	0.9
134.99670	0.8
136.04501	1.8
137.02940	27.4
137.09416	1.2
138.03026	1.0
141.79866	0.7
142.03476	1.2
144.05052	3.4
144.08664	1.7
144.67931	0.8
149.02950	2.2
152.11812	2.3
154.03459	1.6
155.05515	2.1
162.09734	2.5
168.08687	3.0
170.12833	3.3
172.04546	3.9
173.02966	1.4
173.06624	3.5
186.09738	65.6
187.10019	2.3
190.09306	1.0
191.04037	2.8
191.07622	2.2
196.08145	2.5
197.06511	4.5
204.10794	34.5
214.05760	1.3
214.07162	1.9
214.09204	36.9
214.14049	1.4
215.07582	5.3
215.09424	1.3
215.13809	2.6
232.10271	84.3
233.08508	4.0
233.10583	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	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.00256	1.1
55.01860	1.8
55.05508	49.6
57.03426	3.1
57.07045	1.2
59.04972	1.6
67.05502	28.3
69.03400	1.6
69.07062	43.6
70.06565	1.6
70.47909	1.9
70.48242	1.2
71.04980	4.6
73.06554	2.9
79.05483	14.9
81.07051	86.8
82.07373	1.7
83.04978	5.6
83.08123	1.7
83.08617	33.4
84.08106	1.5
85.06534	7.9
91.05476	15.7
93.07040	21.2
94.45988	1.2
94.87312	1.0
95.04944	2.3
95.08599	100.0
96.08935	3.5
97.06538	12.4
97.10169	14.0
99.08063	3.1
101.05982	1.8
105.06355	1.3
105.07026	19.5
107.08577	9.0
109.06490	3.2
109.10140	9.2
111.08066	4.4
113.09602	1.1
113.26613	1.2
115.07556	2.8
117.06995	2.7
119.08577	28.7
121.06506	1.5
121.10118	7.6
123.08070	9.4
123.11654	1.4
125.09637	1.2
127.07545	2.4
131.08569	1.9
133.10114	15.9
135.11684	13.9
137.09607	5.1
137.13239	16.2
141.06926	1.9
141.09093	3.0
145.06476	1.3
145.10040	1.8
159.11670	1.8
161.13239	42.0
169.10097	2.6
173.05956	1.3
173.09578	2.4
179.14282	7.6
187.11169	4.7
196.16936	14.3
197.09569	4.1
199.13504	1.0
214.17995	57.2
215.06845	1.5
215.10666	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	215.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.8
55.05507	32.1
57.03429	4.0
57.07070	3.5
65.03943	3.7
67.05499	32.8
69.03422	4.7
69.07069	27.8
70.67415	7.4
71.04981	10.0
73.91505	2.8
74.09695	2.9
79.05473	21.4
81.07047	72.6
83.04995	3.6
83.08611	18.6
85.06528	15.1
91.05461	26.0
93.07039	29.4
95.04960	6.1
95.08595	100.0
97.06521	18.2
97.10155	9.2
99.08089	8.4
105.07017	34.4
107.08579	10.5
109.10136	9.7
110.12339	2.7
117.07010	7.6
119.08569	38.5
121.10143	9.8
123.08067	8.4
131.08629	6.1
133.10132	28.7
135.11652	16.7
137.07091	5.0
137.09653	4.1
137.13220	13.9
143.08601	3.8
145.10120	5.7
159.08064	6.2
159.11708	8.8
161.13245	57.2
161.14526	4.5
169.10098	4.8
173.09618	5.5
173.13251	3.3
179.08247	2.9
179.14304	21.3
187.05678	3.5
187.11201	6.0
197.09512	4.2
214.66283	3.5
215.05193	9.6
215.07024	3.7
215.10600	13.0
215.14293	13.6
215.17897	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	216.123
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
51.51106	0.6
53.61521	0.6
55.01862	4.3
55.05503	3.4
56.05030	2.3
59.88130	0.6
61.47660	0.7
70.70286	0.8
70.72379	0.6
71.04922	0.6
71.08624	21.8
71.40057	0.7
72.04508	22.2
73.02908	1.8
73.40653	0.7
82.02936	22.9
83.04970	6.3
84.04496	3.5
88.11259	8.8
89.06013	0.9
100.03967	82.9
101.02367	1.6
101.05999	2.1
108.26666	0.6
111.04431	8.4
127.07590	0.7
128.03426	100.0
129.01791	1.0
129.03772	0.9
129.05453	1.5
146.04460	12.7
155.07021	10.2
158.61319	0.7
170.11742	37.3
173.08073	5.5
178.20364	0.6
192.85527	0.7
198.11230	1.4
205.00159	0.6
216.12286	87.1
217.10655	3.8
217.12646	1.6
226.85406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.123
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
55.01857	3.6
55.05508	4.3
57.03434	1.3
57.19053	0.4
59.04995	0.7
65.93367	0.4
69.03426	0.5
70.01330	1.1
71.08627	18.2
72.04503	1.7
72.08950	1.0
73.02912	26.3
74.02439	4.0
82.02932	4.3
83.01334	13.2
83.04977	5.2
84.04501	0.5
85.02898	4.4
85.06577	0.5
87.04452	0.9
88.11265	1.8
89.06030	0.6
98.09684	0.6
98.22911	0.8
98.23441	0.6
100.03972	16.2
101.02373	21.7
101.06019	2.3
111.04444	7.4
113.06011	0.6
117.56501	0.4
118.04988	4.7
119.03407	9.2
127.07561	1.0
128.03432	2.4
129.03767	1.6
129.05467	1.4
131.71919	0.4
143.12526	0.9
146.04471	93.8
147.04822	0.7
150.02271	0.4
155.07014	10.1
156.09277	0.7
170.11790	2.5
170.13667	2.1
171.11795	0.6
173.08041	5.6
198.11351	0.7
199.09682	0.9
199.11546	9.1
216.12299	100.0
217.10670	4.2
217.12584	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1594
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01873	0.8
55.05503	1.2
57.07064	1.4
60.04507	0.2
61.02916	0.5
61.74956	0.2
69.95237	0.7
73.02926	0.7
83.04978	1.5
86.06058	1.1
86.09700	100.0
87.10032	1.0
89.06033	0.8
98.23353	0.3
100.61160	0.2
101.06013	0.6
111.04431	2.3
116.10718	1.1
116.32115	0.3
128.10709	47.1
129.11011	0.5
155.07025	2.6
170.11751	47.2
171.12021	0.5
173.08159	1.5
174.14885	6.5
216.15974	1.3
217.10661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.01851	3.9
55.05504	30.9
55.96384	0.8
57.03418	1.1
57.07067	1.1
59.04988	2.6
67.05483	2.7
69.03403	3.7
69.07619	7.2
73.02914	2.7
79.05477	1.7
81.68568	0.9
83.04970	46.7
83.08589	3.0
85.06532	3.1
87.04436	5.1
88.07614	1.4
89.02388	4.1
89.06021	8.9
91.05465	17.2
91.05990	2.0
93.07065	1.2
95.04966	1.1
96.97166	0.9
99.04445	3.3
101.06004	19.5
103.05445	4.0
105.07011	11.3
107.04924	1.9
111.04427	64.4
111.07986	1.1
113.05994	7.0
113.69397	1.0
115.05443	7.8
116.06222	4.2
117.06997	5.6
118.07838	1.2
119.04901	3.0
119.08559	1.5
121.06475	6.3
127.07536	10.5
128.06213	20.9
129.05496	12.6
129.06984	28.0
130.07794	1.5
131.04907	10.7
131.08527	6.9
132.05688	1.3
133.06418	2.9
133.10138	2.4
137.05978	1.5
141.06960	3.6
143.04836	1.7
143.08572	1.6
144.05670	8.3
145.06458	9.6
146.07253	15.9
147.08015	3.6
155.07011	87.7
156.05666	7.3
156.06895	1.1
156.07083	0.9
157.06479	16.2
158.07265	1.4
159.08051	15.4
160.08754	1.8
161.05913	2.9
161.09596	75.9
162.09929	2.0
168.05652	2.3
169.06461	1.0
171.04402	2.8
171.07996	3.6
172.05176	21.8
173.05859	4.3
173.08070	48.4
174.06749	15.1
175.07579	6.2
184.05185	10.4
185.05936	3.2
186.06674	8.2
187.07527	23.8
188.08330	6.3
189.05440	1.0
189.09085	20.5
199.07523	50.7
199.09512	3.7
200.07838	2.1
202.05974	3.6
217.08533	100.0
217.10678	40.5
217.15761	2.2
218.08896	2.1
218.21117	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	217.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01848	2.8
55.05507	42.4
56.35128	0.8
57.03421	1.5
59.04999	5.7
64.21864	0.9
65.03909	1.1
65.78884	0.7
67.05506	6.3
69.03415	4.7
69.07053	1.8
69.38324	2.4
69.38723	1.4
71.04989	10.2
73.02888	3.2
76.24329	0.9
77.03893	1.0
79.05482	25.5
80.54124	0.7
81.03410	12.4
81.07047	8.1
82.97045	0.8
83.04973	59.7
83.08616	3.9
85.02871	3.1
85.06519	3.8
87.04462	9.4
89.02372	5.4
89.06025	10.8
91.05466	6.5
93.03378	1.1
93.07014	3.7
95.04935	2.0
95.08564	2.6
97.06506	1.5
99.04446	4.6
101.06015	23.7
105.07021	6.3
107.04940	8.0
107.08581	23.1
109.06512	10.9
109.10100	1.0
111.04433	82.4
111.08060	1.7
112.04755	1.1
113.05992	9.5
115.05431	1.1
117.06981	3.5
119.08582	5.4
121.06490	16.9
123.08017	2.0
125.09599	2.0
127.07542	32.6
128.06180	2.3
129.05472	15.3
129.06944	4.3
131.08562	5.6
133.06421	1.0
133.10074	3.1
135.08037	12.0
137.05917	2.4
141.59413	0.8
142.07742	3.3
143.08548	4.3
145.10097	3.7
147.06528	0.9
147.08035	2.2
147.11700	2.0
149.09627	5.0
153.09099	10.2
155.07013	100.0
156.05695	1.0
156.07245	1.5
156.09305	1.9
157.10126	7.4
159.11655	3.9
161.05968	1.6
161.09604	4.4
161.13182	1.2
167.10614	2.7
171.07962	0.8
171.11639	3.7
171.96863	1.0
173.08078	55.9
173.13162	1.5
175.07538	1.0
175.11113	2.8
185.11571	1.9
187.07504	1.1
189.05464	1.4
189.12682	1.9
199.09554	6.3
199.11162	4.3
199.14700	2.1
217.04950	1.4
217.08582	4.0
217.10625	48.7
217.12271	2.9
217.15822	8.8
218.10907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1545
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
51.91177	0.6
55.05509	2.2
56.05029	4.2
69.24526	1.0
69.24935	2.1
71.08624	33.2
83.04973	3.2
83.06093	2.3
84.04494	100.0
85.02897	6.5
87.04440	0.7
88.11258	96.5
89.11580	0.8
99.48621	0.6
101.06008	1.0
102.05521	5.3
111.04431	5.3
113.06046	0.8
118.95448	0.6
119.47420	0.6
130.04987	44.2
139.09177	0.5
144.08052	0.9
154.12273	0.8
155.07004	6.8
171.14909	17.8
173.08043	3.8
199.09628	0.7
200.12793	74.1
201.13097	1.3
217.10777	2.8
217.15457	16.7
235.86963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28153	5.7
69.66673	14.8
90.13943	5.9
94.93008	100.0
98.97568	18.9
116.98620	7.5
126.56686	5.9
219.02562	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	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
56.96557	19.9
61.02914	2.2
65.32234	1.3
67.05502	1.9
69.87110	5.4
71.84673	1.2
72.08143	4.9
73.02930	1.8
83.04982	2.1
84.04498	3.6
84.08123	5.4
84.96001	1.3
85.02886	5.0
85.06540	2.4
90.05537	8.3
90.09193	3.5
91.05492	1.9
94.93009	4.4
98.97575	100.0
101.00871	10.1
110.97575	2.0
116.98613	61.2
119.01907	40.8
119.08589	2.5
120.01962	1.6
121.01620	1.8
121.10099	1.8
124.07632	2.9
127.00549	1.4
128.98593	6.1
129.02225	5.9
130.08647	2.6
131.01910	5.9
133.03445	9.6
133.10158	1.5
134.99651	29.6
137.02927	8.6
143.00146	1.9
146.99640	4.2
147.03262	7.9
149.02963	2.8
151.04492	3.2
153.00679	4.6
154.94220	1.8
156.07410	1.5
158.99641	17.4
159.03062	1.6
161.02908	1.8
165.04286	2.1
172.95288	3.6
173.02924	8.0
174.99098	2.7
175.04500	3.6
177.00720	31.4
177.02284	2.4
177.04276	3.6
189.00609	1.7
191.04004	2.0
193.03795	1.5
195.01752	3.7
196.04517	3.0
200.02380	2.0
201.02408	19.3
202.10646	2.4
203.14334	8.2
219.03510	27.0
219.07066	2.7
219.13475	1.8
219.17409	30.9
220.11798	2.5
237.02820	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03446	1.4
58.46423	0.8
66.32249	0.7
67.05493	1.3
71.04987	0.8
73.65153	0.8
79.05498	0.7
81.07019	1.8
91.04930	1.4
91.05470	16.9
93.07023	1.9
95.08611	1.5
103.05457	4.2
105.07026	3.6
107.08568	1.6
115.05436	16.4
115.06233	1.2
116.06250	4.3
117.07001	5.2
119.08595	1.9
128.06216	13.3
129.06989	50.0
130.07832	3.7
131.04901	12.6
131.08548	42.3
132.05685	1.5
133.06433	0.8
133.10139	4.1
135.07970	0.8
137.05960	4.8
141.06972	43.3
142.81773	0.6
143.04906	2.1
143.08534	2.9
144.05699	8.6
145.06464	11.6
145.10130	1.1
146.07251	8.3
147.04326	0.7
147.08070	1.1
148.05162	1.9
149.05908	0.8
152.06300	0.8
153.06931	1.0
155.06015	2.6
156.05658	1.1
157.06465	27.0
158.07251	30.7
159.04427	5.4
159.08029	27.0
159.10138	0.9
159.11644	1.5
160.05197	7.5
161.05977	1.6
161.09570	5.2
162.06703	1.1
163.07495	1.5
168.05719	1.0
169.06425	16.7
169.07597	1.8
170.07249	9.0
171.04387	1.2
171.07941	1.8
173.05977	7.2
173.09599	1.5
174.06738	95.3
175.07520	20.6
176.08145	1.0
185.05923	1.7
186.06738	20.8
187.07491	1.6
188.08308	5.3
189.09076	98.3
190.09431	1.9
191.06985	0.8
191.10663	8.3
201.09071	40.1
202.09378	1.0
219.10129	100.0
219.17236	3.4
220.10591	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05483	1.6
57.03414	1.3
67.05486	3.2
69.07088	1.3
69.37071	2.3
69.37478	4.7
71.04977	1.7
75.89394	1.4
79.05484	2.4
80.60843	1.4
81.07040	5.4
91.05478	15.3
93.07047	2.9
95.08574	3.9
103.05468	3.1
104.06168	1.3
105.07031	6.9
107.08538	2.9
109.06483	1.8
109.10152	1.8
115.05464	11.2
116.06201	3.3
117.06992	3.3
118.06564	1.9
119.08556	3.1
121.10120	1.6
128.06212	12.2
129.06987	51.7
130.07730	4.4
130.23471	1.3
131.04907	11.6
131.08551	48.0
133.10091	7.5
137.05981	4.0
141.06969	46.5
143.04903	3.3
143.08533	3.3
144.05704	8.6
145.06509	7.9
145.10110	3.9
146.07256	5.5
148.05170	1.5
155.06021	3.4
157.06470	24.8
158.07260	29.4
159.04399	4.8
159.08040	28.6
159.11694	3.1
160.05118	7.4
161.05995	1.9
161.09572	4.3
163.07562	2.6
169.06432	17.0
169.07614	1.9
170.07208	8.2
171.08012	1.3
173.05992	6.3
174.06740	92.5
175.07524	13.7
176.14331	4.8
185.06015	1.9
186.06729	20.3
187.07426	2.9
188.08295	5.7
189.09082	100.0
190.09425	1.7
191.06970	1.6
191.10640	8.1
201.09077	46.6
201.16289	1.6
216.02940	1.7
219.10132	91.3
219.17374	9.8
220.10455	2.4
220.16914	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.66927	0.6
51.92969	0.6
53.61748	0.7
54.21021	0.6
57.03432	1.1
60.04380	0.6
61.98074	0.7
69.75512	2.5
70.76825	0.6
91.05473	9.6
98.22953	2.2
103.05450	3.1
115.05438	10.4
116.06276	3.4
116.84941	0.7
117.06990	2.5
122.03595	1.0
128.06200	12.1
129.06987	47.2
130.07794	4.2
131.04927	9.5
131.08551	40.7
133.10132	1.6
137.05968	4.3
137.06897	0.8
140.06178	0.7
141.06969	40.8
142.07701	1.0
143.04929	1.5
143.08534	2.1
144.05695	7.2
145.06483	6.8
145.10088	0.8
146.07275	6.1
147.04425	1.1
148.05165	1.8
155.04868	0.7
155.06018	2.1
156.05638	1.1
157.06471	22.0
158.07260	24.8
159.04428	4.6
159.08038	29.2
159.09335	1.6
160.05170	6.8
161.05843	0.9
161.09590	4.0
162.06760	0.8
163.07520	1.9
168.05685	1.4
169.06444	17.3
170.07227	7.8
171.08014	1.7
173.05940	5.4
173.09509	1.3
174.06743	85.5
175.07512	13.5
176.04630	0.9
185.05933	1.1
186.06735	21.0
187.07497	2.9
188.08304	4.8
189.09081	100.0
190.09454	2.2
191.06912	1.5
191.10628	8.5
201.09079	40.3
202.09492	1.2
219.10133	99.8
219.17410	1.9
220.10526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1339
Annotation	D-Lysopine
Peak:m/z	Relative Intensity
55.01867	2.7
56.96556	1.2
57.03410	1.0
57.07072	36.7
61.02906	1.6
71.01350	1.7
72.04520	9.9
72.08142	3.3
72.12703	1.1
73.02914	6.1
74.02439	31.9
74.09714	100.0
75.02800	0.9
75.04469	3.1
82.02936	31.1
83.01340	3.7
84.04499	2.3
85.02893	3.6
87.04455	1.8
90.05543	9.7
98.02435	1.7
98.22871	1.5
98.97587	3.0
99.05585	1.9
100.03969	5.8
101.02396	4.8
103.03922	3.6
116.03472	1.2
116.98632	2.6
118.05003	12.8
119.03394	2.6
119.08569	1.3
121.10152	1.0
124.07578	2.2
127.12331	4.8
128.03442	13.4
128.10719	6.0
134.99629	1.5
135.88794	0.9
137.49298	0.9
142.08618	1.1
143.40907	0.9
146.04475	26.7
151.11079	1.0
155.11781	95.0
156.10194	1.0
158.11765	1.5
159.02858	5.7
159.06491	0.9
172.94270	1.5
173.12866	4.4
184.09682	81.9
185.10077	2.0
190.95255	1.4
194.85956	1.0
201.12337	19.1
202.10727	63.8
203.11143	1.1
203.14291	5.9
219.11322	1.7
219.13368	21.7
219.17433	18.8
220.11798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03924	1.2
55.01867	3.8
55.05510	7.5
57.03427	2.0
65.03916	1.3
67.05501	11.9
69.03419	2.2
69.07056	4.3
71.04985	3.9
71.42733	1.1
75.71664	0.8
77.03918	1.0
78.21852	0.8
79.05035	1.3
79.05483	17.7
81.07047	21.3
83.04986	4.4
85.02900	6.3
85.06516	1.2
91.05470	28.5
93.07037	17.7
95.04961	5.0
95.08610	9.6
97.06513	2.5
103.05456	2.0
105.07021	31.7
107.04958	2.7
107.08584	11.5
109.06487	5.5
109.10163	1.8
111.04420	3.0
111.08075	1.2
113.05984	1.4
115.05455	4.0
116.06234	1.5
117.07010	38.5
119.08566	19.8
121.06496	7.8
121.10146	7.0
123.08064	3.2
125.05959	2.0
125.09641	1.0
128.06206	1.8
129.06990	9.4
130.07750	3.7
131.08551	46.3
133.06480	2.7
133.10097	7.0
135.04356	1.3
135.08041	8.5
135.11659	3.1
137.05968	2.1
137.09550	1.9
139.07466	2.2
141.06955	3.6
142.07776	4.7
143.08490	3.7
144.09367	5.9
145.06454	3.4
145.10106	21.0
147.08046	3.6
147.11623	4.6
149.05974	1.7
149.09624	3.9
149.13133	1.0
155.08554	9.0
156.93452	0.9
157.10123	19.1
159.04369	1.0
159.08083	7.5
159.11678	100.0
160.12064	2.8
161.09636	3.0
162.30170	0.9
163.07504	6.3
163.11168	3.3
163.14847	2.3
165.32600	0.9
168.09320	2.3
170.22217	0.9
171.11552	1.2
172.08748	0.9
173.09631	3.0
173.13237	30.1
174.06734	1.7
175.07504	4.4
175.11208	6.8
177.09142	4.0
177.12741	4.6
183.11659	19.3
184.12062	0.9
189.09111	1.9
191.10695	1.1
191.14281	24.1
201.09006	1.4
201.12712	26.6
201.16515	1.3
203.14310	2.5
210.07120	1.0
213.77422	0.8
219.10222	4.9
219.13777	87.2
219.17101	13.3
220.14034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.01859	2.4
55.05509	6.1
57.03408	1.0
57.07084	0.7
59.04979	0.7
65.03923	0.8
65.90899	0.7
67.05498	7.9
69.03400	1.4
69.07076	4.3
69.19287	4.1
71.04989	13.2
73.06548	0.9
77.03931	1.3
79.05479	9.8
81.07046	18.9
83.04951	3.0
83.08610	1.8
85.02917	2.0
85.06528	2.1
86.92653	0.7
91.05472	24.4
93.07036	16.1
93.08055	0.7
95.04945	3.2
95.08592	14.9
97.02868	1.2
97.06515	3.3
103.05450	3.3
104.06222	2.0
105.07020	44.3
107.04952	1.6
107.07910	1.4
107.08578	15.7
109.06528	4.0
109.07135	0.7
109.10143	7.7
111.08051	1.8
115.05460	7.7
116.06237	2.2
117.07004	14.3
119.04949	1.6
119.08566	26.5
121.06498	2.7
121.10136	8.0
122.07291	0.9
123.08070	2.2
123.11680	2.2
125.09604	8.7
127.11215	1.0
128.06194	3.6
129.06998	7.5
130.07785	1.6
131.04897	5.3
131.08556	22.1
132.05711	6.6
133.06502	1.6
133.10112	61.1
134.10455	0.9
135.08058	3.7
135.11678	4.3
137.05988	1.1
137.09604	2.7
141.06976	5.6
142.07651	0.9
143.04915	1.1
143.08511	3.1
144.05678	3.4
144.09302	1.4
145.06454	7.0
145.10121	14.9
146.07237	1.8
146.10802	0.9
147.08037	6.1
147.11650	9.8
148.70050	0.8
149.09595	2.6
149.13235	2.6
153.06970	1.2
155.08524	2.9
157.06447	3.1
157.10133	2.1
158.07254	5.7
159.04387	1.3
159.08063	8.5
159.11676	20.8
160.05180	6.6
161.05945	3.1
161.09567	2.1
161.13237	8.2
162.06743	2.9
163.07541	2.5
163.11200	3.7
163.14813	0.9
169.06415	1.7
170.07231	0.9
173.05920	1.4
173.09566	2.8
173.13226	11.1
174.06752	12.9
175.07527	100.0
175.14790	2.5
176.07898	1.5
177.09094	3.3
177.12701	2.9
183.11609	1.5
186.06725	2.7
187.07504	1.0
188.08427	0.9
189.09081	11.8
191.06967	3.9
191.10651	3.5
191.14278	4.0
191.17886	1.0
199.31880	0.8
201.09116	7.7
201.12672	4.1
201.16376	12.9
203.14273	2.0
219.08244	1.7
219.10135	45.4
219.13686	9.3
219.17395	43.4
219.19083	0.7
220.10313	1.3
220.17792	0.8
237.34920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.47326	1.4
55.05497	9.1
57.03419	2.5
57.07056	2.6
67.05502	17.3
69.07055	13.2
70.56026	1.6
70.56365	1.9
71.04970	6.0
71.22036	1.3
77.03941	1.5
79.05479	14.4
81.07049	45.8
83.04967	3.4
83.08599	5.2
85.06511	2.4
88.30275	1.3
91.05473	19.0
93.07033	31.1
95.04967	7.0
95.08596	35.8
96.37341	1.5
96.55204	1.4
97.06528	13.6
97.10152	2.2
98.23378	1.9
101.74429	1.5
103.05462	2.5
105.07024	55.1
107.08587	35.3
109.06523	8.4
109.10142	28.8
111.08060	5.5
115.05440	6.2
116.06222	1.7
117.07011	10.0
118.06539	3.7
119.08573	39.0
120.08887	1.5
121.06495	3.5
121.10140	23.3
123.04346	1.8
123.08038	8.2
123.11672	4.9
125.09599	5.0
128.06169	2.0
129.06996	12.3
130.07784	3.4
131.04898	2.6
131.08546	27.7
133.10109	24.3
135.08008	4.9
135.11688	10.8
137.09628	2.8
139.11195	1.8
141.06932	5.4
143.08521	2.5
144.05589	2.1
144.09314	2.1
145.06482	2.5
145.10115	45.6
147.08032	3.0
147.11679	17.0
149.09550	4.3
149.13254	5.0
151.11118	3.0
157.06458	3.6
157.10091	3.5
158.07253	4.2
159.08009	5.8
159.11682	44.1
160.05229	2.3
160.11993	2.1
161.13251	30.2
162.09164	1.8
163.11165	10.6
163.14804	3.1
169.06485	2.8
172.12421	1.5
173.05940	2.0
173.13232	12.7
174.06757	16.4
175.07555	9.1
175.14845	5.6
176.14273	9.4
177.12747	4.5
186.06747	2.4
187.07489	2.4
189.09071	18.7
191.10619	2.2
191.14226	2.5
191.17896	5.7
201.09077	8.1
201.16362	51.4
202.16559	1.8
203.14374	1.9
219.10144	37.2
219.13809	4.0
219.17409	100.0
220.16914	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	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03941	1.1
55.05504	8.8
55.64597	1.0
57.07059	2.8
64.11781	1.1
65.74589	1.0
65.95458	0.9
67.05488	8.5
68.41666	1.0
69.03411	1.7
69.07069	5.6
70.06573	2.9
71.04991	14.1
71.06909	1.8
71.14989	1.0
71.15346	1.1
72.01588	1.1
77.03931	1.4
79.05486	13.6
81.07050	32.0
83.04957	4.6
83.08584	1.7
88.07618	4.6
89.07989	1.6
89.41751	0.9
91.05473	23.8
93.07032	23.8
95.05004	2.5
95.08601	12.4
97.06517	6.3
97.10139	2.2
102.09149	1.1
103.05441	1.2
105.07018	68.9
106.08640	3.3
107.08573	19.0
109.06508	2.8
109.10143	6.1
109.57184	1.0
111.08050	1.5
113.09597	1.1
115.05389	1.2
117.07001	6.3
118.07782	1.8
119.08571	16.7
121.06487	2.3
121.10145	12.9
123.11658	2.8
125.09610	20.3
129.06979	2.6
130.07787	1.7
131.08546	14.5
133.10110	100.0
134.10445	2.1
135.11670	5.6
139.11179	1.9
141.06929	1.6
142.07744	1.4
144.09372	1.8
145.10112	17.0
147.11681	11.9
149.13251	1.1
149.76016	1.1
158.10857	1.1
159.11679	19.0
161.13261	11.1
163.11148	1.9
169.06424	1.4
173.13242	3.7
174.06763	2.4
175.14778	2.8
177.16467	1.4
181.62013	1.0
189.09070	3.3
191.17921	1.6
201.09123	1.4
201.12697	1.1
201.16373	16.3
201.20407	2.1
217.72926	1.1
218.21094	2.5
219.10156	4.7
219.13881	1.4
219.17412	28.8
219.21461	35.8
220.17801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01861	0.8
55.05518	0.7
57.07068	7.0
59.04988	5.0
60.59950	0.7
67.05498	5.4
67.05807	0.9
69.07066	4.9
69.78193	1.0
69.78534	2.0
70.02945	9.5
71.34834	0.7
72.04507	17.2
73.02920	4.5
74.02430	1.8
74.09570	0.7
81.07069	1.1
85.06532	10.4
86.09724	1.0
87.08086	2.9
90.05544	100.0
91.05933	0.9
95.04944	7.7
96.08128	2.4
98.02403	18.2
98.23517	0.7
100.03986	2.9
103.07561	7.9
112.07585	1.0
113.05995	3.1
116.03450	14.8
124.07578	18.3
131.07025	0.8
132.10237	0.7
142.08604	7.6
156.10191	1.2
160.09665	1.4
166.08597	2.3
174.11192	2.3
184.09660	19.3
202.10710	29.0
205.15900	1.0
220.11768	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05500	1.5
57.07069	10.2
58.07403	1.4
59.04999	4.7
67.05499	6.4
69.07063	5.1
69.66214	2.8
70.02947	8.7
71.01340	0.7
71.95602	0.7
72.04124	1.5
72.04510	18.4
73.02902	4.6
74.02426	4.2
74.09705	4.0
74.74451	0.7
75.10046	3.4
81.07043	1.9
82.02943	0.9
83.03262	1.8
83.04961	1.1
84.75314	0.7
85.06526	11.5
86.09686	2.1
87.04450	1.8
87.08097	2.3
90.05544	100.0
91.03207	0.8
92.66956	0.8
95.04958	8.3
96.08124	2.9
96.33347	0.7
96.53596	0.8
98.02402	15.6
98.06047	2.4
100.03950	2.9
103.07565	7.4
112.07600	0.8
113.05973	4.0
116.03439	16.7
120.82747	0.7
124.06656	1.1
124.07579	19.6
124.23776	0.7
130.08606	1.0
131.07074	0.9
140.10684	2.3
142.08623	7.0
146.04427	1.2
156.10197	1.4
156.12164	3.6
158.11746	8.0
160.09659	2.3
166.08615	2.6
174.11252	2.3
184.09668	22.0
185.10049	4.9
196.38644	0.8
202.10719	29.5
202.12448	1.0
202.14421	1.0
203.11011	4.9
204.14600	1.3
205.15800	7.9
220.05914	0.9
220.09747	1.4
220.11752	28.7
220.13571	1.6
220.17795	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
69.60983	0.4
91.05492	0.1
105.06981	0.1
106.06532	0.1
118.06530	9.1
119.07279	0.3
120.08131	0.2
132.08064	2.3
133.08861	1.2
134.09616	0.6
144.08055	0.3
146.09633	2.6
147.10420	0.3
148.11209	0.2
155.62126	0.1
160.11171	0.5
162.09123	5.4
163.09818	0.2
174.12750	0.2
176.10742	3.9
176.14325	24.0
177.11432	1.1
177.14702	0.5
178.12288	0.2
189.15114	0.2
190.12233	2.7
191.13002	0.3
202.15897	0.8
204.13766	0.2
205.15973	0.1
220.16937	100.0
221.17294	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	221.1171
Annotation	Flossonol
Peak:m/z	Relative Intensity
50.58460	0.6
53.41880	0.6
55.01868	1.2
55.05504	1.5
59.05001	0.9
65.03955	0.9
67.05488	1.9
69.03415	1.6
69.61411	1.7
69.61800	1.3
71.04971	1.5
79.05489	3.1
81.03416	0.9
81.07038	2.0
84.47062	0.7
90.19526	0.6
91.05470	11.4
93.07033	2.7
95.04955	1.8
95.08585	1.5
97.06525	1.2
103.05457	2.7
104.06229	2.9
105.07016	9.7
107.04958	3.5
107.08587	1.4
109.06502	1.4
115.05441	10.2
116.06234	1.7
117.07008	18.0
119.04919	2.2
119.08578	6.0
121.06476	4.8
123.08051	1.6
128.06210	13.3
129.07002	3.5
130.06520	2.4
130.07689	0.8
131.04892	5.2
131.08574	2.0
132.04729	0.8
132.05672	5.1
132.30287	0.7
133.06458	3.8
133.10135	2.7
135.08040	2.5
137.06000	3.8
141.06944	1.4
143.08546	8.8
144.05652	1.2
145.06476	10.2
145.10077	3.3
146.03641	1.0
146.07249	6.7
147.04396	3.2
147.08047	10.4
147.11700	1.1
149.05974	2.0
149.09590	1.4
153.07016	0.8
155.06007	1.3
157.06465	0.9
157.10118	1.1
158.05991	0.9
158.07268	1.0
159.04440	3.7
159.08031	3.0
160.05182	6.5
160.08830	5.8
161.05965	14.1
161.07173	1.3
161.09612	9.5
161.13260	1.6
161.89276	0.7
162.06761	12.2
163.07521	2.2
165.09087	3.0
171.08041	4.7
172.05223	1.9
172.08832	1.6
173.05933	1.0
174.06743	2.0
175.07530	100.0
175.11113	15.8
176.07961	1.4
177.09088	28.4
178.09476	1.2
178.12299	1.4
179.10629	1.0
185.00485	0.8
187.07704	1.0
188.04712	1.1
188.08301	5.2
193.08565	1.4
203.07080	4.8
203.10649	29.4
203.14322	1.1
204.11066	0.8
206.05469	0.7
221.04469	1.7
221.08113	1.9
221.11705	48.2
221.15244	2.2
230.28702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42152	0.1
55.61212	0.1
62.29010	0.1
69.70389	0.4
75.51322	0.1
79.05469	0.3
91.05473	0.8
93.07048	0.3
95.08550	0.1
98.22741	0.2
102.22386	0.1
105.07005	0.4
107.08569	0.2
115.05437	1.0
116.06223	0.7
117.07003	4.6
118.06500	0.2
118.07307	0.1
119.04930	0.4
119.06862	0.3
119.08545	0.3
121.06484	0.3
128.06200	1.0
129.06955	0.2
131.08553	0.1
133.06488	0.5
133.08383	0.1
133.10115	0.1
134.07251	0.8
135.08041	0.7
136.17067	0.1
141.70142	0.1
143.08528	1.0
144.05676	0.6
145.06459	0.9
147.04404	0.2
147.08011	0.3
149.09558	0.2
159.08070	0.1
160.05183	0.4
161.05907	0.4
162.06749	5.2
163.09451	0.2
171.08084	0.6
175.07533	2.3
177.09087	100.0
177.14494	1.4
178.09447	2.1
203.10541	0.4
221.09749	0.2
221.11635	0.4
221.17268	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	221.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
55.37764	0.3
57.07053	0.3
63.62103	0.2
67.56509	0.2
71.20566	0.3
71.41779	0.3
73.02901	0.2
79.05480	0.3
81.07027	0.4
91.05449	1.4
93.07004	0.3
95.04956	0.4
95.08572	0.3
103.05453	0.4
105.07013	0.8
107.08527	0.2
109.10150	0.3
115.05424	1.8
116.06200	0.7
117.07001	5.3
119.04933	0.6
119.08552	0.6
121.06463	0.7
128.06212	1.3
130.06477	0.8
130.37222	0.2
131.04887	0.3
133.06479	1.0
133.10106	0.3
134.07253	1.2
135.08037	0.8
137.05994	0.2
143.04886	0.4
143.08546	0.9
144.05675	0.7
145.06458	0.9
146.07248	0.4
147.04439	0.6
147.08023	0.8
148.07626	0.2
149.05931	0.3
149.09648	0.2
151.03815	0.2
158.06017	0.3
159.11674	0.2
160.05148	0.5
161.06007	1.1
162.06740	6.5
171.08022	0.8
175.03897	0.3
175.07491	3.4
175.08745	0.3
176.07050	0.3
177.09079	100.0
178.09425	2.2
188.08147	0.3
203.03394	0.2
203.10638	0.8
203.18005	0.2
206.16203	0.6
221.11784	0.8
221.14920	0.3
221.18712	0.3
222.07584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
67.05487	0.4
69.30383	0.6
69.30790	0.8
71.04972	0.6
79.05491	0.7
81.07051	2.0
82.19632	0.2
91.05467	1.4
93.07034	1.6
95.08588	1.1
99.46246	0.2
102.21760	0.3
105.07024	1.0
107.08582	2.1
109.10119	0.7
110.07394	0.3
115.05449	1.5
116.06221	0.9
117.07027	4.2
117.75322	0.3
119.04926	0.3
119.08598	1.6
121.10142	0.3
123.11669	0.4
128.06198	1.0
133.06465	0.6
133.10107	0.9
134.07254	1.3
135.08049	0.9
135.11679	4.6
143.08516	0.8
144.05696	0.8
145.06447	0.9
147.08003	0.6
147.11674	1.1
149.13213	0.3
160.05232	0.4
161.06032	0.4
161.13284	0.6
162.06747	5.7
175.07516	2.2
177.09090	100.0
178.09430	1.8
203.10641	0.3
203.17900	1.3
220.21605	0.4
221.11610	0.4
221.17171	0.9
221.19034	1.9
221.22038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10851	0.2
67.05497	0.3
69.07048	0.5
69.23537	1.1
79.05474	0.5
81.07051	0.9
91.05460	1.1
93.07031	0.5
95.04943	0.3
95.08598	0.6
105.06985	0.9
107.08572	0.5
109.10139	0.3
115.05437	1.5
116.06190	0.5
117.07015	4.2
119.04917	0.4
119.08571	0.8
121.06508	0.3
121.10152	0.3
123.11636	0.2
128.06198	0.9
130.39011	0.2
131.04886	0.2
133.06476	0.7
134.07199	1.0
134.98958	0.2
135.08040	0.9
135.11691	0.4
143.08543	1.1
144.05693	0.7
145.06520	1.0
147.04312	0.2
147.08040	0.3
149.09586	0.3
151.11205	0.3
160.05220	0.5
161.05949	0.6
161.13255	0.5
162.06750	5.4
165.07001	0.4
171.08032	0.8
175.07515	2.5
175.11237	0.3
175.14912	0.2
177.09090	100.0
178.09430	2.1
180.60341	0.2
203.10594	0.5
203.17888	0.2
220.21638	0.6
221.06035	0.3
221.15282	0.7
221.18956	0.3
221.21944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.05495	0.9
57.07071	0.3
67.05486	0.4
69.03432	0.2
69.07058	0.3
71.04949	0.4
73.02883	0.2
79.05472	0.7
81.07035	0.5
83.04951	0.3
83.08621	1.3
85.06531	0.3
91.05437	1.8
93.07016	1.0
95.04964	0.4
95.08585	0.4
103.05437	0.8
105.07006	1.0
105.86555	0.2
107.04928	0.6
107.08560	0.4
109.10148	0.3
115.03893	0.2
115.05446	2.2
116.06207	0.8
117.07001	5.3
119.04890	0.6
119.08560	0.6
121.06482	0.7
123.04471	0.3
128.06204	2.1
130.06502	0.8
131.04921	0.8
131.08591	0.5
133.06482	1.5
133.10089	0.5
134.07286	1.2
135.08003	0.8
137.05960	0.6
142.07799	0.3
143.08536	2.3
144.05684	0.9
145.06438	2.1
146.53777	0.2
147.04375	0.4
147.08064	1.1
147.11568	0.3
149.05812	0.3
149.09615	0.3
151.07529	0.4
153.07018	0.2
158.06033	0.4
159.08046	0.4
160.05101	0.4
160.08833	0.3
161.05981	2.0
161.09579	0.7
161.42534	0.2
162.06728	5.9
163.07466	0.4
164.38449	0.2
171.08018	1.6
175.07516	4.5
175.08905	0.4
175.11159	0.6
176.06958	0.4
177.09082	100.0
178.09428	2.1
178.12210	0.4
185.09546	0.2
203.06949	0.5
203.10550	2.2
206.16245	0.4
221.04504	0.3
221.07944	0.4
221.11494	2.5
221.15392	0.6
221.18758	0.3
222.07693	0.4
226.02574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01859	0.6
55.05489	0.7
57.03424	0.3
57.07046	0.4
65.79897	0.3
67.05500	0.5
69.03432	0.5
71.42890	0.3
73.31734	0.3
79.05474	1.1
81.03397	0.4
81.07037	0.6
83.08601	0.3
85.06540	0.3
87.04444	0.7
91.05447	2.6
93.07046	0.4
95.04945	0.5
95.08597	0.4
97.43616	0.3
100.65352	0.3
103.05484	1.6
105.07010	1.7
107.04929	0.8
107.08540	0.4
112.26630	0.3
115.05445	3.1
116.06223	0.5
117.06177	0.4
117.07008	6.7
119.04916	0.6
119.08559	1.2
121.06468	0.8
125.41792	0.3
128.06219	4.6
129.07018	0.6
130.06512	1.3
131.04922	3.0
131.08577	0.8
132.04471	0.3
133.06461	1.3
133.10088	0.8
134.07260	1.2
134.09634	0.5
135.08037	1.3
135.09944	0.7
137.06015	1.5
141.06900	0.4
143.04933	0.8
143.08548	4.6
144.05666	0.6
145.06497	3.2
147.04367	1.1
147.08043	0.8
148.07564	0.4
149.05916	0.4
149.09634	0.5
150.09109	0.3
151.07506	2.1
155.06041	0.5
157.06477	0.5
158.06001	0.9
159.08026	1.5
160.05194	1.8
161.05948	2.3
161.09558	0.6
162.06741	6.9
163.07570	1.8
171.08018	4.9
174.06746	1.1
175.07520	8.4
175.11061	0.5
176.07077	1.3
177.09093	100.0
178.09421	2.3
188.08302	1.3
189.05307	0.4
189.09068	0.8
193.08569	0.4
203.06912	0.4
203.10651	8.5
203.18266	0.3
206.16106	0.4
207.89272	0.3
221.04408	1.0
221.07855	1.0
221.11667	6.3
221.13475	0.5
221.15385	0.6
222.07712	0.4
222.12029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.63955	0.3
79.05481	0.6
81.07053	0.6
91.05456	2.5
93.06998	0.5
95.08587	0.3
98.22935	0.3
99.77441	0.3
103.05446	0.4
104.06233	0.6
104.62041	0.3
105.06975	1.5
107.04966	0.3
115.05439	2.9
116.06223	0.7
117.06171	0.5
117.07002	7.6
119.04941	0.8
119.08546	0.8
121.06523	0.5
128.06203	2.8
129.06967	1.2
131.04900	1.0
131.08524	0.3
132.05704	1.0
133.06474	1.4
133.10127	0.5
134.07248	1.0
135.08061	0.9
141.06931	0.4
142.07561	0.4
143.04890	0.9
143.08551	1.6
144.05724	1.0
145.06465	2.4
145.10062	0.5
146.07228	1.3
147.04364	0.7
147.08041	1.6
149.09567	0.4
159.04399	0.4
159.08073	0.6
160.04051	0.4
160.05167	2.0
160.08783	0.8
161.05975	2.6
161.09673	1.8
162.06741	7.0
163.07507	0.6
165.07010	0.6
165.09109	0.4
171.08011	1.1
175.07529	20.3
175.11127	2.1
176.07808	0.6
177.05632	2.0
177.09088	100.0
178.09413	2.0
188.08369	0.9
191.06927	0.3
193.08563	0.5
193.10141	0.4
203.06975	0.4
203.10651	5.7
209.42178	0.3
215.84052	0.3
221.04158	0.4
221.06075	0.7
221.09576	0.8
221.11713	4.5
221.15280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.80184	0.9
51.93267	1.0
53.03929	2.2
54.53480	1.0
55.01859	3.0
55.05507	18.6
57.03422	2.0
57.07060	4.8
67.05499	25.3
68.79921	1.2
69.03455	1.2
69.07062	18.9
69.34521	2.4
69.34888	4.6
70.88916	0.9
71.04987	12.6
77.03920	1.6
79.05485	36.6
81.03405	1.7
81.07051	56.4
83.04970	6.7
83.08629	6.5
85.02903	1.1
85.06529	4.1
91.05470	50.1
93.07039	44.8
95.04963	7.1
95.08596	27.8
95.09207	1.6
96.88765	1.1
97.06538	5.5
99.08070	2.6
100.75343	1.1
103.05456	2.6
105.04511	2.4
105.07019	84.7
107.04927	1.2
107.08582	36.7
109.06522	11.4
109.10143	15.1
111.04430	4.2
111.08060	1.8
113.05981	1.3
117.07027	8.7
119.08572	88.4
120.08896	1.6
121.06491	6.1
121.10140	13.2
123.08067	9.6
123.11699	5.7
125.05967	1.8
125.09659	1.4
127.11183	1.2
128.06213	1.9
129.06990	6.3
131.08568	6.3
133.06474	7.9
133.10114	39.6
135.08043	4.7
135.11684	23.9
137.05959	2.9
137.09598	5.6
137.13283	1.4
139.07533	2.4
143.08565	6.5
145.10132	2.5
147.08034	15.1
147.11676	14.8
149.09659	1.5
149.13225	4.9
151.07545	6.9
151.11185	2.1
157.10149	3.3
159.11678	12.6
161.09624	8.2
161.13245	100.0
162.13626	2.2
163.14752	2.2
165.09111	9.7
165.12773	1.7
175.11150	5.9
175.14799	18.7
177.09068	7.1
177.12639	2.6
179.10675	3.6
179.14290	2.0
180.13185	1.2
185.13251	14.2
193.15863	23.1
203.14301	29.4
203.17877	11.1
204.14757	1.2
214.13860	1.1
221.15361	52.3
221.18869	17.8
222.15819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	1.6
55.05506	9.7
56.96558	1.6
57.07079	3.6
59.04988	1.6
65.03937	2.4
67.05502	6.8
68.62765	1.1
69.03376	1.3
69.07059	10.1
69.38734	1.9
69.39134	3.9
71.04982	15.5
77.03896	1.2
79.05486	14.9
81.07047	43.9
82.88107	1.2
83.04949	3.0
83.08606	4.8
91.05463	7.5
93.03378	1.8
93.07034	37.6
95.04935	3.0
95.08594	26.3
97.02864	2.3
97.06509	1.7
97.10193	1.5
98.22974	4.4
99.08103	3.8
103.05437	2.6
105.07020	24.1
107.08586	58.0
109.06509	2.6
109.10132	17.2
111.04439	1.8
111.08059	1.4
113.09646	2.3
115.05432	4.6
117.06993	3.5
119.08559	33.1
120.58833	1.1
121.10130	9.9
121.59206	1.1
121.99719	1.1
123.08069	2.1
123.11697	14.4
125.05991	2.6
125.09619	2.3
127.11186	3.2
131.04900	2.9
132.05759	1.4
133.06508	4.2
133.10109	21.5
135.11676	100.0
136.12086	1.9
137.05977	3.4
137.09593	3.7
137.13242	3.4
138.82954	1.2
139.11217	1.1
143.04913	4.4
145.10104	2.0
147.07977	1.2
147.11659	18.6
149.13231	5.3
151.03897	41.5
151.05019	4.9
151.11183	3.5
153.05428	5.7
158.00354	1.2
160.05194	2.0
161.05959	3.8
161.13235	11.9
163.07558	2.2
163.14801	4.8
175.07524	6.3
175.14812	3.1
176.04718	1.3
177.09103	4.7
177.16368	3.3
189.05519	1.7
191.06972	9.0
192.94966	1.9
193.08586	3.3
203.07053	5.3
203.10568	1.2
203.17935	36.9
206.16135	2.0
221.08049	3.8
221.11464	1.4
221.18983	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03930	1.8
55.05503	11.4
57.07058	3.9
59.04972	1.3
67.05499	11.7
69.07066	16.1
69.21851	6.9
69.25565	1.1
71.04588	1.6
71.04987	25.6
71.08615	1.3
73.06567	1.4
79.05482	21.4
81.07048	74.5
82.07371	2.2
83.04966	2.9
83.08617	5.8
85.06537	2.9
91.05476	14.8
93.07038	43.0
95.04952	2.7
95.08596	34.4
95.09212	1.7
97.06532	1.6
97.10172	2.8
99.08099	3.7
105.07024	29.4
105.07735	1.6
107.08582	61.6
109.06505	3.1
109.10146	27.4
109.10886	1.6
111.08049	2.6
111.11756	1.2
113.09647	2.5
117.07026	5.0
119.08565	48.3
120.08898	1.5
121.10115	10.9
123.08067	3.4
123.11691	18.8
125.09631	1.6
127.11167	7.1
128.06163	1.5
133.04822	1.2
133.06493	1.8
133.10120	25.0
135.11678	100.0
136.12036	1.8
137.09616	3.6
137.13258	2.3
139.11198	1.7
145.10156	2.7
147.08058	1.3
147.11681	21.6
148.41899	1.2
149.13242	9.0
151.03853	2.9
151.11183	4.8
161.05908	1.3
161.09557	1.6
161.13225	12.8
162.06784	2.9
163.14838	4.8
172.78099	1.2
175.07550	2.2
175.14819	3.8
177.09091	55.4
177.14743	1.8
203.17946	35.3
203.19849	2.0
204.18254	1.8
221.07924	1.5
221.15346	4.2
221.17307	4.6
221.19025	57.7
222.19403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05507	9.5
57.07056	4.2
67.05499	8.2
69.03421	1.4
69.07062	9.6
69.93761	2.0
69.94079	1.0
71.04625	1.4
71.04987	17.9
78.75917	0.8
79.05487	14.5
81.07052	51.2
83.04961	2.5
83.08614	6.3
85.06534	2.3
91.05464	12.9
93.07037	36.3
95.04955	2.4
95.08601	25.9
95.09210	1.4
97.06522	2.6
97.10176	1.6
99.08048	4.4
103.05472	1.3
105.03430	1.0
105.07026	19.1
107.08583	61.7
108.08872	1.2
109.06503	3.7
109.10139	20.9
111.08054	2.9
113.09652	2.0
117.07010	0.9
119.08566	34.7
119.51866	1.0
121.10125	9.7
123.08070	2.1
123.11690	16.7
125.09639	1.8
127.11179	4.0
131.08438	1.0
133.10109	23.3
135.11678	100.0
136.11990	1.0
137.09604	4.0
137.13167	1.9
139.11215	2.2
139.21696	1.0
145.10121	2.4
147.11661	21.5
149.13240	5.6
151.11188	3.8
159.11691	1.1
160.12471	1.2
161.06004	1.0
161.13258	11.0
163.14828	3.6
165.12611	2.1
173.13269	1.0
175.14870	1.3
177.09114	6.2
177.14902	0.9
177.16400	2.7
203.17929	32.1
221.15388	2.0
221.18994	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05507	9.9
56.46181	1.5
57.07063	2.3
63.98537	1.5
67.05498	10.0
69.07067	8.1
71.04990	25.1
73.06525	2.2
74.70704	1.5
79.05484	14.4
81.07050	65.8
83.04970	1.9
83.08585	3.1
85.06535	2.3
91.05483	10.3
93.07040	35.3
95.04965	3.1
95.08595	25.1
97.06532	3.1
99.08103	4.8
105.07022	25.8
107.08591	45.1
109.06531	1.9
109.10145	20.1
116.06271	1.6
117.07001	3.0
119.08576	34.8
121.06542	2.4
121.10120	10.9
122.25577	1.4
123.08032	1.8
123.11693	16.1
127.11187	4.6
131.79912	1.7
133.10120	21.3
135.11682	100.0
137.09639	3.7
147.11661	21.4
149.09642	1.5
149.13232	8.9
159.11720	1.8
161.13226	11.2
162.06717	2.0
163.14787	4.5
165.12894	3.0
175.07497	2.1
175.14891	2.7
177.09102	58.0
177.88239	1.6
178.09386	2.1
179.14200	1.7
203.17914	37.3
221.15561	2.3
221.18993	50.9
228.74641	1.8
229.64656	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99461	1.6
67.77638	1.5
69.82438	4.7
83.61136	1.5
104.52995	1.6
106.02683	5.5
119.01888	2.1
121.02607	2.0
124.03705	22.6
138.94748	1.3
139.03625	4.1
149.02267	1.9
156.97459	12.2
174.98508	12.3
183.76431	1.8
198.98549	4.8
204.06342	9.0
211.80548	1.6
216.99585	8.4
222.07359	100.0
223.07816	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	222.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81454	1.4
54.80728	1.4
56.96556	1.9
63.54057	1.4
66.58228	1.5
67.54141	1.4
70.29639	3.5
79.77358	1.3
81.03394	2.4
92.82343	1.6
98.22990	2.9
104.49187	1.3
110.95167	1.6
111.45564	1.5
121.02600	4.8
122.53170	1.3
124.03703	73.1
156.97464	19.6
174.98543	17.2
198.98561	5.6
204.06435	2.0
216.99527	9.9
222.07359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	2-Hydroxy-4-hydroxymethylbenzalpyruvate
Peak:m/z	Relative Intensity
53.03951	0.4
54.33400	0.4
55.01867	1.4
57.07068	1.0
69.03413	0.5
71.60497	0.4
77.03941	0.5
79.05486	3.7
81.03419	0.5
81.07051	1.0
91.05464	2.9
93.07056	0.8
95.04955	1.5
97.02886	0.5
103.05452	4.8
105.07017	36.5
106.07332	0.8
107.04946	5.1
107.08598	0.6
109.06509	0.5
109.10157	0.5
113.46096	0.4
115.05445	9.6
117.07005	0.8
119.04929	1.5
120.08038	0.5
121.02812	1.0
121.06475	1.8
121.10171	0.9
123.04406	0.6
131.04909	12.0
132.05675	0.5
132.95009	0.4
133.06476	87.0
134.06831	1.5
135.04404	1.4
135.08032	0.9
137.06053	0.6
137.09590	0.5
142.04070	0.6
143.04897	2.0
143.06042	1.6
147.04376	0.6
149.02324	6.5
149.05957	4.3
149.09621	0.7
151.07495	0.5
153.95499	0.5
159.04384	10.5
159.11699	0.7
160.05151	2.4
161.05959	100.0
162.06339	1.7
163.07524	1.3
171.05518	20.1
177.05444	20.9
177.08876	0.8
178.05806	0.6
179.98557	0.6
181.75137	0.5
187.03871	11.7
192.07816	6.5
193.04900	0.6
195.06433	1.2
195.10104	0.5
205.04944	19.5
205.08461	1.3
223.00575	2.9
223.06107	0.8
223.09309	3.1
223.16840	0.8
225.04230	3.9
227.02135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	95.8
57.03437	20.5
69.03418	43.0
69.64423	41.2
69.64782	38.0
73.02927	22.7
81.03416	46.2
84.08130	32.5
97.02896	26.7
98.22780	26.8
98.97618	93.1
98.98165	18.1
101.02377	36.9
104.14325	19.7
106.61458	20.9
110.97562	17.2
115.03926	57.6
116.98595	26.7
129.01781	93.4
133.05002	22.4
142.01744	32.8
143.03462	18.7
148.03166	26.0
157.01323	51.4
157.11023	18.0
161.04498	100.0
164.07065	53.4
178.08580	29.5
181.76378	21.8
189.03949	42.9
190.04167	43.8
199.04799	29.4
219.01837	27.7
224.09154	60.8
226.04282	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	Myxostiol
Peak:m/z	Relative Intensity
55.01862	0.9
55.05503	1.7
57.07072	0.8
64.67724	0.5
65.03944	0.7
67.05492	0.8
69.03419	2.0
69.07053	1.3
69.64007	2.3
71.04981	1.7
78.04710	1.0
79.05489	2.5
81.03421	0.8
81.07045	2.8
83.04961	2.8
83.08624	0.7
84.08145	0.9
90.04666	0.6
91.05475	5.5
93.07021	1.3
95.04969	3.6
95.08591	1.7
99.04423	1.5
105.03400	0.9
105.07024	1.7
107.04948	4.3
107.08582	0.7
108.05704	1.2
109.02894	0.9
109.06499	2.8
109.10145	0.8
110.06015	1.2
111.04441	0.7
119.08556	1.4
120.05718	0.8
121.06487	1.6
121.10077	0.9
122.03615	0.8
123.04440	3.2
123.08067	1.5
135.04390	1.4
135.08069	0.9
136.05174	2.4
137.05965	6.3
137.09607	0.8
138.06757	2.4
147.07988	1.1
148.05176	17.5
149.05966	1.0
149.09554	0.8
151.03911	2.4
151.07568	3.2
153.01881	1.1
161.02309	0.7
161.05936	1.2
161.09579	1.2
162.06720	0.6
163.03960	1.4
163.07530	0.7
163.11182	0.7
164.08215	1.0
165.01781	1.3
165.05399	3.2
165.06683	0.6
165.09100	2.3
166.06218	1.2
167.07079	3.7
176.08298	0.7
177.05498	0.7
180.04147	4.0
180.07799	1.1
181.08577	100.0
182.08926	1.5
183.06485	1.3
185.70569	0.6
192.04114	0.7
193.04861	3.2
194.08321	0.8
195.06593	0.9
195.10110	3.3
198.14865	1.0
207.08081	0.8
207.10104	5.7
207.13789	1.1
207.18555	0.9
225.04103	1.0
225.07393	1.5
225.11040	2.8
225.14740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03924	2.4
55.01864	3.6
55.05513	11.5
57.03431	3.6
57.07062	4.1
58.19828	1.5
59.04991	2.8
59.87420	1.4
65.03934	2.8
67.05498	25.5
69.03423	100.0
69.07059	14.7
71.04987	6.0
77.03915	1.9
79.05484	20.6
81.03413	6.1
81.07053	37.2
83.04977	11.1
83.08629	5.3
84.04537	1.7
85.02892	4.3
87.04469	5.2
91.05474	14.2
93.07040	19.0
93.25622	1.4
95.04964	14.6
95.08595	25.0
97.02886	3.2
97.06521	9.7
99.04410	2.2
103.05425	2.8
105.07024	45.3
107.04945	4.4
107.08580	14.1
109.06503	20.9
109.10155	13.0
110.07294	1.6
111.08070	6.7
115.05442	1.6
117.07017	3.4
119.08575	26.7
121.06509	7.2
121.10131	31.3
122.07283	5.9
123.04420	19.2
123.08057	12.4
123.11713	4.7
125.06044	2.6
125.09599	1.6
128.06274	1.7
129.07040	1.7
130.05034	2.2
131.08533	3.7
133.06483	13.4
133.10120	51.6
134.09608	2.1
135.08057	3.8
135.11684	4.4
137.05972	5.5
137.09604	44.0
139.11166	34.6
141.07014	2.3
141.10126	1.7
143.08591	2.6
145.10085	6.1
147.08061	7.2
147.11668	32.9
149.09618	5.1
151.07529	7.5
151.11200	4.5
156.09302	6.7
158.11223	1.8
159.08046	3.9
159.11673	3.4
161.09538	3.9
161.13257	10.0
162.09163	2.6
163.11226	8.4
165.09108	2.8
165.12692	3.0
167.07082	3.9
171.11658	10.3
174.10411	8.8
178.07932	1.9
179.08533	2.3
179.14258	2.0
181.08589	4.4
183.06564	2.1
189.12755	24.4
207.13797	24.7
208.09648	6.0
225.09105	6.2
225.12775	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05506	7.6
57.07077	3.8
59.04993	4.1
66.55397	1.2
67.05500	24.7
69.03426	11.5
69.07052	2.5
69.76069	1.7
69.76413	6.4
71.04972	2.7
72.78442	1.7
79.05488	5.1
81.07053	10.0
83.04965	4.0
85.06538	12.2
91.05473	6.7
93.07036	9.8
95.04965	6.7
95.08598	100.0
96.08955	2.2
97.06530	3.6
98.23353	1.8
99.04446	2.7
100.41475	1.6
101.05998	2.3
105.07021	6.9
107.04947	2.9
107.08571	8.1
108.05688	1.6
109.06496	8.4
109.10136	4.4
113.06008	10.2
119.08562	15.0
121.06483	2.6
121.10133	6.9
123.04408	2.5
123.08048	35.2
123.11648	3.7
133.10085	3.3
135.11678	11.4
137.05971	3.5
137.09622	4.6
140.10623	2.2
141.09093	4.5
147.08060	2.1
147.11658	4.6
149.09601	19.0
151.07533	5.1
151.14795	2.0
153.30067	1.6
161.09615	2.0
161.13284	8.7
162.91899	1.4
163.03799	1.6
165.05495	3.2
165.12729	4.4
167.07045	3.1
179.14302	4.4
180.04190	2.1
183.06529	1.9
189.12758	7.1
193.05014	3.5
207.09953	1.5
207.13756	14.1
225.07303	4.9
225.14784	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.16727	1.6
53.03936	2.9
55.01884	2.3
55.05503	11.9
57.03424	6.6
57.07061	2.5
59.04998	11.5
62.65439	1.5
65.03935	1.7
67.05497	16.2
69.03423	18.7
69.07066	13.6
71.04984	5.6
71.43338	1.6
75.04472	3.1
79.05488	19.9
81.07057	28.0
83.04973	17.1
83.08624	9.1
85.06530	3.5
87.04459	14.7
91.05470	20.0
93.07040	47.9
95.04971	11.4
95.08591	25.2
97.06534	14.4
99.04447	1.8
101.06040	2.7
103.05468	2.2
105.07022	43.4
105.07729	2.1
107.04957	4.0
107.08588	49.6
108.08951	1.8
109.06517	25.8
109.10143	17.5
111.04430	7.5
111.08074	12.5
115.07603	3.9
117.07037	4.5
119.08569	22.6
121.06493	5.6
121.10127	22.1
123.08059	24.0
123.11723	6.6
125.05968	2.0
125.09569	2.6
127.07582	2.3
128.06264	2.5
129.07018	4.7
131.08565	3.6
133.06514	4.7
133.10121	14.8
135.08083	6.3
135.11688	6.0
137.05934	4.0
137.09605	12.6
139.11185	6.6
141.06961	4.9
141.09114	3.9
143.08578	3.2
145.10124	8.0
147.08034	6.7
147.11662	15.2
149.09598	27.9
151.07535	7.4
151.11174	100.0
152.11459	2.0
153.07024	2.5
154.07712	3.4
156.09354	7.0
159.11679	3.9
161.09607	8.2
161.13240	22.8
163.11182	8.3
165.09142	2.8
165.12788	6.5
168.05678	2.4
169.10120	8.4
171.11699	7.0
174.10455	3.5
177.12860	2.6
178.07745	4.2
179.08522	15.2
179.14371	6.0
181.08604	1.9
182.07245	3.0
189.12723	25.5
197.06042	2.1
197.09610	6.6
207.08076	6.2
207.13785	90.9
210.06760	12.0
225.05638	3.0
225.09123	40.5
225.12755	4.3
225.14761	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01850	0.4
55.05500	2.1
57.03412	1.1
57.07071	0.5
59.04973	0.7
65.03908	0.5
66.45882	0.4
67.05498	5.2
69.03410	2.5
69.07058	1.3
71.04976	1.1
79.05476	3.6
81.03374	0.7
81.07053	4.6
83.04974	13.9
83.08577	0.8
85.02937	0.7
85.06548	0.6
86.27934	0.4
87.04441	0.5
91.05474	2.3
93.07047	4.8
95.04961	4.1
95.08596	7.7
97.06509	1.9
99.08079	10.1
101.05970	0.5
105.07012	4.3
107.04952	1.0
107.08579	6.2
109.06507	22.9
109.10133	1.5
110.06740	0.4
111.04430	12.4
111.08085	0.8
113.09599	0.7
117.07017	0.6
119.08556	4.3
121.06494	6.2
121.10131	8.1
123.08053	100.0
123.11715	1.2
124.08385	1.6
125.05999	0.7
125.09619	5.3
127.07513	0.7
132.51585	0.6
133.10115	1.6
135.11682	1.5
137.09621	1.8
141.09100	1.3
143.08527	0.5
145.10100	1.2
147.11705	2.9
149.09602	7.5
151.07495	1.3
151.11160	3.0
161.09613	0.7
161.13275	1.6
163.11151	3.6
165.09109	0.7
165.12750	2.4
167.10625	5.7
169.10182	0.6
181.12231	1.3
183.10193	0.6
189.12692	1.1
207.13773	6.3
208.36809	0.5
225.09036	1.3
225.14676	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	225.1484
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
52.55534	0.5
55.05499	2.0
57.07059	1.3
59.04989	2.3
63.86675	0.6
67.05492	4.0
67.50424	0.6
69.03426	45.8
69.07059	1.9
71.04984	1.3
79.05479	3.4
81.07061	4.7
83.04977	6.3
85.02917	0.8
85.06535	0.7
87.04462	32.5
91.05471	2.6
93.07042	4.6
95.04973	1.5
95.08604	7.1
97.06513	3.2
98.98435	1.3
105.03378	0.9
105.07025	4.2
107.04976	1.2
107.08572	2.2
109.02821	1.6
109.06501	1.5
109.10143	13.0
111.04478	1.0
119.08578	2.8
121.06519	0.7
121.10138	26.1
123.08071	5.6
125.05963	3.0
133.06479	0.7
133.10130	1.3
135.08058	0.7
137.05977	1.9
137.09587	4.2
139.11168	100.0
140.11537	1.6
145.10048	0.7
147.11711	1.2
149.09572	1.5
151.07535	3.4
151.11159	0.8
153.05440	0.8
154.07825	0.8
161.09639	0.8
161.13225	1.6
163.03883	0.9
163.11150	0.9
165.05524	0.8
165.06989	1.4
165.09091	3.3
165.12755	1.6
167.07059	2.5
167.10732	0.9
169.08560	2.1
177.05896	0.6
180.04210	1.0
181.12257	0.9
182.07213	1.6
183.10162	0.7
189.12726	2.0
193.04956	0.8
195.06490	1.0
197.08066	1.1
207.13840	5.5
210.06839	1.5
210.08853	1.2
225.09099	4.3
225.11104	2.0
225.14792	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	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03932	0.5
55.01867	0.7
55.05512	1.9
57.03416	0.5
57.07050	0.3
59.30198	0.3
59.68391	0.3
65.03915	0.7
67.05480	0.9
69.03400	1.0
69.07047	0.7
69.95058	0.4
69.95406	1.0
71.04988	0.7
73.02892	0.8
77.03902	0.9
78.04694	3.4
79.05477	3.4
81.03384	1.9
81.07031	1.4
81.71584	0.3
83.04955	1.1
83.08591	0.9
85.06546	0.7
89.03896	1.6
91.05463	7.5
93.07040	5.0
94.04166	0.7
95.04958	6.3
95.08587	0.7
96.05727	0.5
97.02882	0.3
97.06513	0.9
99.04402	0.8
99.08071	0.4
100.11240	8.8
103.05453	7.1
105.03365	0.9
105.04501	1.5
105.07003	0.9
106.04164	3.3
107.04946	3.9
107.08579	1.5
109.02829	0.4
109.06476	1.5
109.10139	0.4
110.97550	0.4
111.04422	0.7
117.03364	1.4
117.06973	0.5
118.04177	0.4
119.04931	1.9
120.05703	0.6
121.06490	12.1
121.10102	1.0
122.03612	1.8
123.04418	9.1
124.05202	2.4
124.77467	0.4
125.02380	0.6
125.05952	0.4
125.09572	0.8
127.03826	0.4
131.04906	5.9
131.08569	0.5
133.02840	1.4
133.10138	0.8
134.03633	3.3
135.04402	1.6
135.08028	0.4
137.05957	9.3
139.03897	0.6
139.07527	0.4
140.04662	3.3
145.02823	1.2
145.10095	0.8
147.04381	1.1
148.05164	2.4
149.05960	14.9
149.09540	0.7
151.03935	1.9
152.04631	2.0
153.05429	0.7
153.09096	0.8
155.06996	1.9
155.08360	0.4
159.04388	3.4
159.05580	0.5
163.03889	1.0
163.07483	1.0
163.08749	0.3
163.11157	0.5
165.05473	0.9
167.07013	100.0
168.07352	1.1
168.13850	0.7
173.13193	0.6
176.04697	0.7
177.05441	25.6
178.06145	0.5
181.04880	0.6
181.08580	1.3
191.07034	1.4
191.10672	1.0
191.14207	0.7
194.05704	1.2
195.06520	1.4
209.08015	7.5
209.16403	1.1
227.05360	0.5
227.09103	1.2
227.17726	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05501	2.2
57.03423	2.0
57.07070	1.4
59.04988	1.9
65.03941	0.7
65.66341	0.5
67.05491	2.7
69.03415	1.9
69.07079	3.0
69.32076	2.9
71.04986	7.5
78.04700	0.6
79.05479	3.6
81.03397	1.4
81.07039	4.3
83.04978	1.6
83.08605	1.6
85.06532	1.9
91.05479	6.1
93.07040	6.6
95.04961	25.9
95.08596	5.3
97.06513	6.0
97.10168	1.5
98.23473	0.8
99.04458	3.7
99.08082	9.7
103.05456	1.4
105.04510	0.6
105.07024	3.9
106.04161	0.9
107.04940	4.9
107.08582	6.8
108.05749	1.4
109.06509	6.6
109.10136	3.2
111.04411	0.8
111.08053	1.6
113.05946	0.7
113.09615	1.4
115.07553	2.3
117.06993	1.4
119.04947	3.0
119.06059	0.6
119.08561	2.1
120.05730	1.2
121.06495	4.9
121.10129	6.5
123.04415	1.6
123.08028	1.9
123.11714	1.8
125.05994	1.1
125.09621	3.1
127.07535	6.7
128.88908	0.6
131.04942	1.4
131.08589	1.6
133.02811	1.7
133.06517	1.4
133.10114	11.2
134.07298	0.8
135.04396	1.4
135.08015	5.3
135.08791	0.5
135.11679	2.1
136.05174	4.6
137.05989	4.3
137.09602	1.1
138.06743	2.0
138.90126	0.6
139.11176	4.3
143.08455	0.8
145.06511	0.7
145.10100	0.8
146.07256	1.6
147.04410	5.1
147.08041	6.1
147.11671	2.1
148.05180	12.6
148.06352	0.7
149.05927	2.4
149.09590	1.5
149.13222	3.6
151.03893	2.0
151.07532	8.6
151.11177	2.3
153.05446	4.1
153.09097	9.0
154.06134	0.6
158.10907	1.0
161.05968	1.4
162.06738	3.2
163.07536	13.6
163.14810	2.2
164.08278	1.1
165.05507	3.9
166.06245	14.2
167.07010	1.6
168.07808	6.9
169.08548	0.8
171.10153	1.5
173.13246	5.2
177.09090	5.9
178.09872	36.5
179.07027	6.4
179.10603	3.8
181.08578	100.0
182.08949	2.0
191.14323	3.7
194.07571	1.0
194.09363	16.3
194.11069	1.1
195.10109	1.4
209.11705	33.1
209.15350	3.6
210.12149	1.2
212.10463	1.2
216.80215	0.6
227.10748	1.0
227.12738	6.3
227.16331	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	227.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82833	0.5
52.86288	0.6
55.05506	3.6
57.03429	1.1
57.07064	0.8
59.04997	1.7
62.15886	0.5
64.06547	0.6
64.54675	0.5
65.03934	0.7
67.05496	2.0
69.03433	1.6
69.07062	1.9
69.37019	2.7
69.37408	1.2
71.04984	7.2
75.04498	0.6
79.05496	3.0
81.03392	1.6
81.07042	5.8
83.04967	2.4
83.08595	1.1
85.06528	1.5
91.05469	6.8
93.07034	6.6
95.04959	25.4
95.08615	4.2
97.06528	7.0
97.10168	1.4
99.04438	3.7
99.08076	10.8
100.11276	1.2
103.05500	0.9
105.06989	4.0
106.04142	0.7
107.04941	4.8
107.08583	7.0
109.02878	0.8
109.06516	6.1
109.10152	2.9
111.08079	1.4
113.09576	0.6
115.05402	1.1
115.07547	2.4
117.07015	1.1
119.04925	2.8
119.08553	2.6
120.05719	1.2
121.02900	0.7
121.06493	5.4
121.10139	5.7
121.21320	0.8
123.04371	1.4
123.08058	2.1
123.09595	0.6
123.11753	1.5
123.21983	0.6
125.05954	1.1
125.09598	3.2
127.07529	4.9
131.04893	1.1
131.08543	1.9
133.02808	1.6
133.06487	1.6
133.10117	10.3
135.04437	1.2
135.08034	5.3
135.11664	1.2
136.05188	5.0
137.05988	4.2
137.09612	1.0
138.06746	2.0
139.07561	1.0
139.11139	3.6
145.06461	0.8
145.10112	0.6
146.07272	0.9
147.04437	3.7
147.08028	5.4
147.11688	1.5
148.05170	11.8
149.05933	2.6
149.09593	1.9
149.13275	3.1
151.03880	1.8
151.07510	7.0
151.11163	1.4
153.05424	4.3
153.09088	7.6
154.06097	0.6
161.05995	1.0
162.06755	2.5
163.07526	10.9
163.14807	1.9
164.08278	1.2
165.05396	4.0
166.06239	15.3
167.06960	2.2
168.07808	8.6
169.08583	0.6
171.10172	1.9
173.13231	4.6
175.63515	0.7
177.09047	5.2
178.09863	33.6
179.07021	7.4
179.10582	3.8
181.08574	100.0
182.08954	1.8
191.14294	3.3
194.09357	16.6
195.10089	1.7
209.11699	32.5
209.15010	4.0
210.12065	1.0
212.10413	1.0
227.10680	1.2
227.12627	4.9
227.16312	10.5
240.52708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01863	3.6
55.05500	7.3
57.03416	3.4
57.07072	6.1
62.45305	1.0
65.03922	2.6
67.05173	1.8
67.05502	27.2
68.70966	1.1
69.03414	4.5
69.03761	1.3
69.07059	7.2
69.49062	4.5
71.04982	22.7
77.03907	1.4
78.19367	1.0
79.05481	31.4
81.03410	2.5
81.07039	13.2
83.04968	9.6
83.08616	2.7
85.06533	100.0
87.04461	1.7
89.30676	1.1
91.05468	21.5
93.07034	29.1
93.58981	1.2
95.04951	10.4
95.08601	7.6
97.05884	2.5
97.06518	53.1
99.04420	5.0
99.08068	3.8
100.11250	4.7
103.05445	1.5
105.07024	21.1
107.04947	11.7
107.08583	36.6
109.02829	1.5
109.06500	10.3
109.10139	4.8
111.04430	14.7
111.08070	2.0
113.05996	1.7
117.06980	6.2
119.08554	19.7
121.02972	1.3
121.06474	16.4
121.10123	26.4
123.04414	3.2
123.08044	5.1
123.11692	3.3
125.05968	7.8
125.09648	2.6
127.03890	2.7
127.07557	1.9
129.06996	5.9
131.08557	65.0
132.08865	2.0
133.10112	5.9
135.04338	1.7
135.08049	3.6
135.11676	7.7
137.05940	1.7
137.09607	8.7
139.07507	2.5
139.11172	2.8
141.05490	1.7
143.06967	1.4
143.08542	1.8
145.06439	2.0
145.10104	28.1
147.08038	6.3
147.11662	3.6
149.05986	4.0
149.09599	69.6
149.13243	3.5
150.09898	1.7
151.07538	1.7
151.11154	2.9
153.01793	5.5
153.05417	3.7
153.19263	1.2
155.06979	5.7
155.08351	1.8
157.92224	1.1
163.07518	5.0
163.11148	25.8
163.14851	1.9
165.09100	10.5
165.12714	2.6
167.07014	9.2
167.08258	1.6
167.10649	30.8
169.12204	1.4
173.09616	6.7
173.13199	2.3
179.06932	1.4
179.10612	1.5
183.13799	2.3
191.10648	61.2
191.14293	2.7
195.06476	2.9
197.11803	1.8
204.14949	1.3
209.07918	2.5
209.11702	51.3
209.15047	2.5
210.12012	1.3
227.10632	3.4
227.12640	19.7
227.16472	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01865	8.1
55.05496	9.3
57.03419	4.0
57.07073	8.1
65.03930	8.7
67.05502	30.8
69.03429	4.2
69.07071	9.1
70.01624	4.9
71.04989	21.4
71.45438	1.9
71.90746	1.4
73.02915	12.6
78.79778	1.6
79.04620	1.7
79.05486	31.8
81.03400	8.1
81.07044	10.3
81.69677	1.6
82.04184	1.7
83.04972	10.4
83.06077	4.4
83.08611	2.5
84.04453	1.9
85.02885	2.6
85.06535	100.0
86.09689	7.9
91.05473	25.4
93.07034	29.6
95.04959	21.4
95.08592	3.2
97.06512	6.5
98.22897	4.9
98.23495	2.0
99.04446	3.6
99.08083	4.5
100.11244	25.7
103.05460	2.8
105.07024	21.8
107.04948	14.0
107.08582	31.9
109.06510	7.6
111.04458	17.2
111.08057	2.2
117.07046	8.9
119.08574	21.9
121.06510	18.8
121.10130	24.5
123.04411	4.8
125.02363	2.6
125.05984	11.4
129.06960	5.9
131.08556	65.2
135.08025	3.2
135.11687	6.0
137.05962	2.0
137.09608	5.1
139.03885	4.1
140.04662	22.0
145.10132	31.7
147.08034	7.2
147.11742	1.9
149.05960	4.7
149.09602	69.0
153.05458	6.7
153.09077	2.1
155.05836	2.4
155.07018	28.5
155.08401	2.3
163.07509	3.3
163.11150	24.1
165.09161	11.1
167.06979	8.0
167.08344	2.6
167.10664	32.1
167.12024	3.1
167.98650	2.0
171.06520	2.3
173.08211	2.4
173.09569	9.1
179.07022	4.7
179.10751	1.7
181.03452	3.3
181.04948	36.4
181.08539	3.1
191.10657	54.3
195.06531	5.6
209.07883	11.3
209.11693	41.5
209.16547	4.9
212.99989	1.7
227.09033	3.7
227.10605	3.4
227.12573	15.4
227.17523	5.5
228.23122	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	227.1276
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01858	8.9
55.05509	29.7
57.03433	5.1
67.05493	30.5
69.07065	16.8
69.35312	18.5
71.04984	7.5
73.02895	6.0
77.49496	3.4
79.05484	38.1
81.03410	4.4
81.07047	33.9
83.01304	3.8
83.04977	9.2
83.08604	18.0
85.06506	4.1
91.05475	16.2
93.07037	53.8
95.04973	16.5
95.08598	57.0
97.02867	4.9
97.06519	9.8
97.10172	12.2
99.04449	6.9
100.11240	13.7
105.07008	12.2
107.04926	17.3
107.08573	40.7
109.10125	7.1
117.06979	11.1
119.08566	17.2
121.06489	16.6
121.10142	19.3
123.04378	3.1
125.05993	5.5
125.09591	14.5
130.07755	3.4
135.11673	70.9
145.10098	34.8
149.05956	4.8
153.66125	3.2
157.10124	8.7
163.11154	87.6
167.07037	38.5
171.08037	4.2
171.11649	5.6
177.05460	8.2
181.09966	3.5
181.12218	20.7
185.09660	4.5
185.13330	3.4
189.11185	8.4
199.11119	3.1
209.11522	3.7
212.14281	22.2
213.15184	4.3
227.10614	6.2
227.12685	100.0
227.14670	5.3
227.17860	10.5
228.13400	4.5
228.17453	54.3
228.23250	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62340	0.7
53.03938	1.8
55.05507	2.8
55.24455	0.8
56.02640	1.2
57.07060	1.1
65.03944	0.9
67.05496	22.1
69.07057	3.3
69.77434	2.1
71.04985	100.0
79.05489	8.5
81.07048	32.5
83.04974	1.2
83.08616	2.6
85.06538	2.8
91.05478	5.5
93.07035	17.1
95.04949	2.0
95.08595	14.4
97.06496	3.9
97.24190	0.7
98.22839	1.0
98.23358	1.2
99.04427	0.8
99.08097	1.1
100.11240	3.7
105.07030	3.4
107.08569	4.8
109.06522	1.1
109.10171	1.4
111.08070	1.7
113.06042	0.8
117.07006	2.9
121.10105	2.1
131.08542	3.6
133.10109	5.3
135.08093	1.2
135.11684	9.8
149.13245	5.6
159.11679	7.6
177.12741	2.6
195.13739	1.3
209.13550	0.7
209.15292	1.7
227.12714	0.9
227.17755	1.6
228.23271	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	3.8
53.96766	1.8
55.01859	3.1
55.05507	26.6
57.03417	7.4
57.07064	7.5
59.04994	6.8
60.73204	1.8
65.01653	2.1
67.05497	36.4
69.03418	40.7
69.07064	39.0
69.60507	6.7
69.60869	3.9
71.04629	3.7
71.04987	41.2
71.42186	2.0
79.05481	43.2
81.03415	10.9
81.07047	66.0
83.04980	20.7
83.08612	15.3
85.06528	7.6
87.04456	3.6
91.05471	22.4
93.07031	64.4
95.04954	17.8
95.08593	53.1
97.06517	13.5
97.10162	17.0
98.22656	3.8
99.04455	12.7
99.08087	8.3
100.11240	3.3
105.07024	28.9
107.04932	8.8
107.08580	100.0
109.06492	15.8
109.10139	42.7
111.04404	2.0
111.08058	18.4
115.05427	2.0
115.07558	11.9
117.06989	3.7
119.08578	16.9
121.06496	15.5
121.10132	44.6
123.04463	2.6
123.08038	11.3
123.11693	12.5
125.05977	3.5
125.09621	21.6
129.09236	2.5
131.08577	15.4
131.09410	2.5
133.10126	22.1
135.08032	24.6
135.11655	12.9
137.09586	11.4
139.07529	5.2
139.11145	6.8
143.08560	3.9
143.10680	5.1
145.10114	7.3
147.10565	3.0
147.11665	21.5
149.05981	6.0
149.09607	13.7
149.13240	29.9
151.11159	29.2
152.60988	2.1
153.09119	11.3
158.10910	4.8
161.13228	8.4
163.11157	4.4
163.14813	26.4
165.12727	12.2
167.07053	14.9
167.10791	2.7
173.13235	28.1
177.05487	6.0
179.12509	1.8
179.14305	3.4
191.14273	31.3
195.06512	4.2
199.07500	2.9
209.08032	7.3
209.15300	19.3
227.06996	2.9
227.16328	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05492	5.9
57.03410	4.6
57.07064	3.4
59.05001	8.9
67.05497	9.4
69.03415	2.2
69.06725	1.4
69.07058	10.9
69.30154	7.0
69.30517	2.3
71.04981	27.7
73.06524	2.0
75.04468	1.7
79.05490	6.4
81.07045	19.3
83.04975	7.1
83.08595	5.1
85.06518	7.2
91.05462	5.5
93.07034	25.6
95.04960	100.0
95.08105	1.4
95.08602	15.7
97.06533	15.1
97.10148	4.7
99.04440	13.3
99.08086	19.0
100.11238	3.3
105.07011	9.0
107.08580	25.6
109.06503	16.5
109.10136	11.7
111.08102	8.0
113.05965	4.4
113.09611	3.1
115.07554	4.5
119.08541	7.4
121.06429	1.5
121.10135	24.6
123.08047	3.4
123.11687	8.5
125.09612	11.1
127.07572	7.7
131.08530	5.5
133.10123	34.3
135.08023	5.7
135.11653	8.4
135.12498	1.3
137.09590	2.5
139.11171	9.4
143.10646	5.5
145.10039	1.6
147.11635	9.4
149.09598	2.5
149.13268	9.8
151.11183	6.6
152.06131	1.8
153.09094	20.0
161.13196	1.7
163.14760	5.2
165.12730	3.6
166.07774	1.8
167.06998	3.6
167.08525	6.5
167.14288	1.6
171.10158	24.0
173.13239	9.2
191.14308	8.8
195.08020	3.9
199.11154	1.7
199.91345	1.3
209.15308	21.2
212.97379	1.3
213.87828	1.2
227.07091	2.2
227.10634	12.5
227.16374	62.0
228.16655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.88162	0.8
53.03940	2.3
55.01867	1.8
55.05506	10.5
57.03426	2.7
57.07063	3.2
59.04991	5.2
65.03960	0.9
67.05501	7.9
69.03429	4.6
69.07066	11.8
71.04985	20.2
73.02917	1.2
73.06538	1.0
78.04705	1.0
79.05487	8.1
81.03410	4.2
81.07046	14.3
83.04993	5.5
83.08609	4.2
85.02913	1.5
85.06561	5.9
88.80302	0.9
91.05470	9.8
93.07038	18.3
95.04961	100.0
95.08594	11.1
97.06525	24.9
97.10124	2.2
98.37842	0.9
99.04445	19.7
99.08086	17.9
100.11246	21.3
103.05482	1.1
105.07022	7.6
107.04922	1.8
107.07918	1.4
107.08593	14.9
109.02929	1.3
109.06509	19.6
109.10151	6.2
111.08058	5.9
113.05996	1.3
113.09628	2.0
113.75136	0.8
115.07560	33.2
117.06990	1.3
119.08562	5.6
121.06474	3.5
121.10134	14.2
123.04398	2.8
123.08035	2.9
123.11691	4.1
125.05985	1.0
125.09638	5.8
127.07534	7.0
131.04900	1.3
131.08569	5.8
133.10112	32.7
135.08006	5.4
135.11639	4.3
137.05923	2.8
137.09583	2.7
139.11179	8.6
140.04601	1.3
143.08502	1.0
143.10698	2.1
145.10143	2.7
147.11673	8.5
149.05945	2.9
149.09557	2.5
149.13248	6.9
151.11168	4.8
153.09087	26.7
155.07030	3.8
155.08307	0.9
158.10910	1.4
163.07480	1.5
163.14778	5.0
165.12717	1.6
167.07028	23.6
167.14259	1.2
171.10150	7.6
173.13242	12.8
177.05449	6.7
181.04945	2.4
181.08542	1.4
191.10583	2.5
191.14268	10.2
209.08011	3.1
209.11617	1.8
209.15154	10.5
227.07091	1.2
227.10648	1.6
227.12688	1.9
227.16269	28.1
228.23155	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03943	2.1
54.38698	0.8
55.01870	1.8
55.05501	8.4
57.03415	4.2
57.07053	4.1
59.05003	5.5
60.46156	0.8
62.46386	0.8
65.03925	1.2
67.05502	7.9
69.03424	5.9
69.07060	9.4
70.79154	1.6
71.04985	24.1
73.06532	2.1
75.04466	1.0
75.61719	0.9
78.04694	2.7
79.05486	11.2
81.03408	3.9
81.07053	19.8
83.04985	7.8
83.08637	4.6
85.06541	11.0
91.05481	15.1
93.07037	26.7
95.04961	100.0
95.08028	1.3
95.08598	19.1
96.05264	1.2
97.02843	1.1
97.06522	19.2
97.10136	2.9
99.04458	12.5
99.08086	39.4
100.11251	6.7
103.05476	5.8
105.04425	1.0
105.07017	13.3
106.04143	2.1
107.04926	4.1
107.08584	26.4
109.02809	1.1
109.06510	20.8
109.10143	12.6
111.04457	1.5
111.08098	7.9
113.05965	1.3
113.09615	3.4
115.07548	8.7
117.03321	1.7
117.07014	2.6
119.08572	10.3
121.06489	10.8
121.10135	22.7
122.03631	2.0
123.04433	7.3
123.08028	2.6
123.11694	7.0
124.05195	2.1
125.02285	1.1
125.05959	2.0
125.09631	9.9
127.07546	20.5
131.04915	5.7
131.08566	9.1
133.02843	1.1
133.10118	41.9
134.03615	2.1
135.04352	1.4
135.08060	6.8
135.11694	5.9
137.05977	6.8
137.09595	4.1
139.11157	16.6
140.04648	2.4
143.08553	2.2
143.10654	2.6
145.10062	3.6
147.11664	7.0
148.05200	2.2
149.06000	9.9
149.09595	5.8
149.13220	8.1
151.03882	1.9
151.11159	4.9
152.04646	2.2
153.01892	1.1
153.09094	30.7
153.12686	1.1
155.06953	1.9
158.10820	1.1
159.04376	3.4
163.03815	0.9
163.11116	2.2
163.14784	4.9
167.07027	75.6
167.10651	3.4
171.10155	9.4
173.13245	17.4
177.05447	17.9
179.06932	1.0
191.10605	2.9
191.14302	11.1
194.05666	1.0
195.06454	2.1
198.21468	0.9
209.08020	6.6
209.11684	2.1
209.15242	12.5
227.06946	1.1
227.08871	1.2
227.10612	1.1
227.16364	42.9
228.16696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05279	1.1
55.05506	10.1
57.07063	2.6
59.04978	1.4
61.52872	1.0
62.87828	0.9
65.03918	1.3
66.20930	0.9
67.01871	1.6
67.05502	5.1
69.03410	3.1
69.07063	18.8
69.38312	4.5
71.04990	1.5
72.72032	0.9
79.05483	10.8
81.03409	3.0
81.07048	32.8
83.04977	2.0
83.08603	2.5
84.04485	1.4
85.06515	1.3
86.09684	3.1
87.04048	1.1
87.04468	13.2
91.05466	7.6
93.06438	2.5
93.07034	41.5
95.04945	3.9
95.08599	11.3
97.06535	2.6
98.22767	2.2
99.04427	1.1
100.11248	16.7
105.03376	2.1
105.07021	13.1
107.04946	2.2
107.08584	7.1
109.06498	4.2
109.10124	1.8
111.04440	1.8
111.11700	4.5
114.64434	1.1
119.08575	4.8
121.06492	2.2
121.10132	75.6
122.10488	1.2
123.04450	1.4
123.08069	5.3
123.11698	59.6
125.09618	2.2
131.08534	1.8
133.06523	1.8
133.07593	1.9
133.10138	2.0
137.05948	4.5
137.06873	1.1
137.09581	1.8
137.46443	1.2
139.11179	4.6
142.08592	1.1
145.10143	1.2
147.11674	8.4
149.07071	1.6
149.09602	31.3
151.11165	27.7
153.01752	1.3
153.09050	1.2
163.08699	2.4
163.11084	1.6
165.08989	1.1
165.12755	5.6
165.71390	1.1
167.07080	6.3
167.10663	100.0
168.10971	1.6
177.05637	1.2
191.08000	1.3
191.14314	1.6
195.02840	2.8
199.15155	1.5
201.46869	1.0
209.07875	1.8
209.15114	1.7
209.16786	1.4
227.10489	5.0
227.14352	2.3
227.17500	4.0
228.23128	1.4
241.78395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03926	2.0
55.01860	2.6
55.05510	7.6
57.03430	7.9
57.07071	5.8
59.04978	5.4
63.60123	1.4
65.03938	1.3
66.13176	1.3
67.05497	11.0
69.03419	9.5
69.07054	15.1
69.25237	1.2
69.81062	2.8
69.81445	2.0
71.04987	27.8
73.06538	2.6
75.04459	2.2
77.03919	1.5
79.05475	9.4
81.03407	1.4
81.07050	22.0
83.04964	9.2
83.08618	6.0
85.06534	11.0
91.05471	10.6
93.07041	27.4
95.04956	100.0
95.08594	23.8
97.06521	26.5
97.10139	5.2
99.04458	14.1
99.08076	39.7
103.05437	1.8
105.07018	22.4
107.04924	3.5
107.08583	35.5
109.06505	24.6
109.10143	21.6
111.08064	8.8
113.05987	2.6
113.09613	3.0
115.07566	8.7
117.06969	1.8
119.08564	16.1
121.06481	3.8
121.10131	73.1
123.08021	5.1
123.11700	10.2
125.05916	1.3
125.09619	13.4
127.07542	21.7
131.08531	9.4
133.10117	51.5
134.14757	1.3
134.41248	1.4
135.08063	9.3
135.11678	10.2
136.05209	1.3
137.05948	2.5
137.09589	8.3
139.07530	1.3
139.11151	21.7
143.08504	2.2
143.10661	3.1
145.10068	3.7
147.08095	1.4
147.11668	13.3
148.05197	2.8
149.05939	2.5
149.09564	2.9
149.13242	19.1
151.07565	1.9
151.10023	2.0
151.11165	21.4
153.09093	31.7
153.12669	2.2
155.33441	1.2
158.10847	2.6
163.07520	4.0
163.11137	1.6
163.14810	11.3
165.05499	1.8
165.12790	1.9
166.06186	3.5
167.06992	8.9
167.14240	2.2
168.07730	1.5
169.12228	2.7
171.10199	9.4
171.11469	2.1
173.13248	25.3
177.05400	3.2
177.09129	2.1
178.09833	8.6
179.07042	2.6
179.10750	1.9
181.08577	25.4
191.14279	25.2
194.09344	3.4
209.11711	9.0
209.15315	16.8
227.14516	1.9
227.16367	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.71536	0.4
53.03943	1.4
53.30865	0.4
55.01875	0.8
55.05511	5.1
55.27434	0.4
56.02636	1.2
57.03437	0.7
59.04997	0.4
65.03936	1.0
67.05501	25.5
69.07067	3.4
69.86196	1.5
71.04988	100.0
72.05322	0.7
79.05496	10.0
81.07053	31.9
83.04970	1.4
83.08620	4.2
85.06551	2.6
91.05482	6.0
93.07039	16.7
95.04971	1.4
95.08600	20.2
97.06525	4.3
97.10179	1.9
99.08096	0.7
100.11248	3.1
105.07015	2.7
107.08585	5.4
109.06516	1.6
109.10143	5.0
111.08076	2.3
113.05982	1.0
117.07004	3.9
119.08563	1.4
121.06498	0.8
121.10097	2.2
123.08070	0.6
123.11684	0.5
125.09622	0.9
131.08560	4.0
133.10098	5.1
133.10858	0.4
135.08087	0.7
135.11682	10.3
147.11681	0.6
149.13237	6.4
159.11678	7.9
167.07036	0.6
171.09888	0.4
175.14857	1.6
177.12721	2.5
193.15913	0.7
195.13841	1.4
209.09135	0.6
209.15445	1.9
227.10480	0.9
227.14490	0.6
228.23329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01862	0.8
55.05497	5.3
55.68583	0.4
56.02643	1.3
57.07068	0.7
65.03927	0.8
67.05495	21.9
68.05862	0.4
69.03441	0.4
69.07059	3.5
71.04984	100.0
71.42053	0.5
72.05301	0.6
79.05485	10.0
80.60484	0.4
81.07047	32.6
83.04969	1.1
83.08610	2.0
85.02895	0.7
85.06528	2.4
91.05470	5.5
93.07030	16.1
95.04966	1.4
95.08595	15.0
95.09209	0.6
97.06528	3.5
97.10170	2.4
99.08110	1.0
100.11239	1.6
105.07016	2.7
107.08572	6.3
109.06495	1.1
109.10141	2.6
111.08066	2.2
113.05997	0.6
117.07018	2.8
119.08602	0.9
121.06464	0.7
121.10134	1.6
123.08078	0.5
123.11671	0.5
125.09618	3.2
127.07571	0.5
131.08568	4.2
133.10117	4.4
135.08044	1.0
135.11681	8.5
135.12659	0.7
143.08566	0.9
145.10081	0.5
149.09642	0.5
149.13239	3.7
157.10098	0.9
159.11661	6.6
159.12914	0.5
171.11665	0.8
175.14859	0.5
177.12749	2.6
178.40778	0.4
185.13264	1.0
189.11197	1.0
195.13843	0.9
209.15314	1.7
227.10526	0.7
227.12793	2.9
227.15382	2.6
227.17941	1.7
228.23157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	31.7
57.03434	10.2
57.07072	7.3
66.49469	2.7
67.05500	69.5
69.07066	26.0
70.07396	3.0
71.04981	8.6
71.41483	4.4
79.05492	41.5
79.37811	2.8
81.03362	2.7
81.07053	100.0
82.07372	3.1
83.04975	10.6
83.08613	24.9
85.06534	4.9
91.05474	25.0
93.07037	59.8
95.04974	6.4
95.08596	27.4
95.09035	2.6
97.06535	13.6
97.10152	20.5
100.11262	12.5
100.46697	3.8
105.07052	9.7
107.08589	35.4
109.10161	8.2
111.08077	14.5
113.06059	3.0
117.07044	12.1
119.08567	5.5
121.10126	24.8
125.09652	14.1
129.07039	3.6
131.08542	11.8
133.10162	14.0
135.00029	2.8
135.08078	5.1
135.11693	13.4
149.13242	45.3
159.11671	26.1
162.08708	3.0
163.08737	3.8
177.12752	12.0
182.80962	2.9
185.13206	5.1
189.11221	6.5
195.13837	15.2
209.09048	3.3
227.10536	4.6
227.12570	21.2
227.17854	13.0
227.22038	11.8
228.23221	6.6
235.22490	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	31.7
57.03434	10.2
57.07072	7.3
66.49469	2.7
67.05500	69.5
69.07066	26.0
70.07396	3.0
71.04981	8.6
71.41483	4.4
79.05492	41.5
79.37811	2.8
81.03362	2.7
81.07053	100.0
82.07372	3.1
83.04975	10.6
83.08613	24.9
85.06534	4.9
91.05474	25.0
93.07037	59.8
95.04974	6.4
95.08596	27.4
95.09035	2.6
97.06535	13.6
97.10152	20.5
100.11262	12.5
100.46697	3.8
105.07052	9.7
107.08589	35.4
109.10161	8.2
111.08077	14.5
113.06059	3.0
117.07044	12.1
119.08567	5.5
121.10126	24.8
125.09652	14.1
129.07039	3.6
131.08542	11.8
133.10162	14.0
135.00029	2.8
135.08078	5.1
135.11693	13.4
149.13242	45.3
159.11671	26.1
162.08708	3.0
163.08737	3.8
177.12752	12.0
182.80962	2.9
185.13206	5.1
189.11221	6.5
195.13837	15.2
209.09048	3.3
227.10536	4.6
227.12570	21.2
227.17854	13.0
227.22038	11.8
228.23221	6.6
235.22490	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	228.1745
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.05494	0.2
56.12805	0.2
58.41638	0.2
67.05464	0.6
69.07020	0.3
70.23097	0.4
72.69051	0.2
81.07013	0.5
83.08607	0.2
95.08578	0.6
97.02880	0.4
109.10086	0.3
119.08556	0.4
133.07715	0.2
156.08078	1.5
158.09642	0.6
161.13235	0.3
170.09607	1.2
171.10417	1.8
172.11137	0.4
184.11198	1.3
185.11952	1.2
186.12750	0.3
198.12718	2.1
199.13544	0.3
200.14268	0.3
210.42003	0.2
212.14313	32.2
213.15057	4.1
226.15903	0.4
228.17444	100.0
229.17784	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1222
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
50.10424	0.5
50.25114	0.6
52.00509	0.6
53.03943	3.5
53.90908	0.7
55.05501	1.6
57.03425	0.7
64.57144	0.8
65.03928	0.9
67.05491	5.5
69.03416	25.7
69.11218	0.6
69.64933	2.1
79.05477	2.3
81.07035	2.2
83.04960	2.8
87.30965	0.7
91.05466	7.0
93.03371	1.1
93.07027	7.1
95.04954	2.4
103.05463	0.9
105.04507	0.8
105.07024	6.8
109.02861	19.3
109.06468	1.5
109.10127	2.8
115.05403	0.9
116.06181	0.7
117.06995	3.0
119.08540	9.7
121.06490	9.4
121.10150	1.5
128.06183	3.4
129.06989	5.4
130.07780	1.2
131.08556	14.2
133.10120	7.7
135.07977	1.6
141.06996	2.0
142.07703	3.9
143.07443	1.0
143.08539	13.4
144.09309	4.8
145.06445	4.0
145.10107	9.5
147.08058	1.0
153.06953	3.1
155.08508	6.0
156.09334	1.1
157.06480	1.5
157.10095	3.6
158.07259	2.4
158.10883	15.3
159.08034	8.4
159.11674	10.8
161.09624	1.3
168.09332	4.7
169.09988	1.5
170.10893	8.2
171.08026	9.1
172.08809	9.4
173.06152	1.4
173.09599	42.9
173.13223	43.0
174.09911	0.9
174.13519	1.0
175.07544	1.5
176.28355	0.7
178.07759	1.0
181.06482	2.7
183.11655	8.9
185.09621	2.9
185.13235	2.8
186.10379	28.0
187.07555	2.7
187.11145	73.9
188.11472	2.3
189.09085	0.9
193.10074	2.1
195.08000	1.6
196.08781	8.7
199.07486	3.1
201.12711	56.6
202.13022	1.6
211.11131	12.5
214.09862	4.3
229.12198	100.0
230.12534	2.2
230.18994	1.3
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	Mansonone C
Peak:m/z	Relative Intensity
53.03939	5.9
55.05506	3.2
57.03429	1.9
60.67810	0.9
65.03931	1.2
66.82892	0.9
67.05494	9.4
68.79822	0.8
69.03062	1.4
69.03424	23.4
69.07059	1.5
70.68372	0.8
76.89160	0.8
79.05472	2.0
81.07038	4.1
82.98552	0.8
83.04966	3.1
91.05475	9.0
91.90217	0.8
93.03390	1.9
93.07033	8.2
95.04960	3.4
95.08578	1.8
97.06517	0.9
101.87698	0.7
102.50098	0.9
105.07007	7.8
107.04939	1.4
107.08579	1.3
109.02869	14.0
109.06504	2.2
109.10138	6.2
115.05458	1.6
116.06221	1.0
117.07041	4.7
119.08601	9.3
121.06493	8.8
121.10099	1.6
128.06197	5.4
129.07011	7.2
130.07755	1.5
131.08545	16.0
133.10104	9.2
135.07985	1.1
141.07004	2.8
142.07761	4.1
143.08554	16.7
144.09323	3.9
145.06483	5.2
145.10118	11.3
147.07976	1.1
147.11700	1.3
148.95885	0.9
153.06961	4.5
154.07788	1.8
155.08528	8.6
156.09360	1.8
157.06444	1.2
157.10106	4.5
158.07254	2.6
158.10899	16.3
159.08040	10.3
159.11653	10.3
160.08815	1.2
161.05872	1.4
161.09566	1.5
167.08604	1.1
168.09319	5.1
169.10164	2.5
170.10892	8.0
171.07982	9.4
171.11723	1.3
172.08824	8.2
173.06039	1.5
173.09607	40.3
173.13232	43.0
174.09863	1.1
174.13676	1.6
175.07523	2.5
178.07704	1.0
181.06493	2.1
183.11665	13.2
185.09642	3.2
185.13197	2.1
186.10382	26.7
187.07657	5.1
187.11160	66.1
188.11523	2.1
193.10110	2.0
196.08858	7.0
199.07547	2.8
201.12723	59.8
202.13068	1.9
211.11160	14.3
214.09808	5.7
229.08568	5.1
229.12224	100.0
230.12550	2.6
239.75632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01871	9.0
55.05511	9.3
57.03424	13.2
66.72370	3.2
67.05158	5.5
67.05499	75.5
69.07076	15.4
69.76006	6.8
69.76369	6.2
79.05505	16.3
81.06562	4.3
81.07047	74.5
83.04950	5.3
83.08614	10.7
85.06525	4.9
89.72421	3.1
91.05474	36.2
93.07025	15.2
95.04959	7.6
95.08604	17.8
97.06535	9.1
99.08080	2.9
105.07029	32.3
107.08573	9.9
109.06487	9.4
109.10151	43.7
119.08562	35.8
121.10143	20.5
123.11699	28.7
127.07504	3.1
128.78111	4.1
129.06996	9.5
131.08575	9.3
133.10107	12.6
137.09625	3.2
142.07686	4.3
143.08693	3.4
145.10136	3.5
147.11688	99.6
149.09593	4.5
157.10127	24.1
165.12744	43.6
173.11723	13.0
175.11171	21.3
193.12283	8.7
211.11053	4.3
213.14758	4.3
228.23203	5.0
229.08583	4.1
229.12059	10.0
229.14226	100.0
229.17857	10.3
229.23462	6.0
230.19026	32.4
242.59363	3.2
248.07431	4.0
249.86496	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	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05484	0.3
56.17032	0.3
56.96552	0.6
58.06596	5.5
59.07380	0.8
59.80466	0.3
60.08157	7.7
68.05014	0.8
69.03453	0.4
69.74843	0.4
69.75182	0.7
70.06586	38.0
72.08128	0.4
75.46948	0.4
82.99885	0.3
83.06100	0.4
96.08136	1.5
98.06043	0.6
101.00872	4.6
111.05549	2.4
114.05526	4.3
114.09175	1.8
115.02400	0.3
116.07092	0.9
119.01910	14.1
120.01904	0.3
124.07591	3.5
126.02462	0.3
126.09123	0.8
126.98760	0.4
131.01875	0.5
133.03453	0.8
137.02950	3.4
142.08623	34.3
143.09036	0.3
144.99812	1.1
151.08557	0.3
161.02908	0.7
168.99788	1.5
170.08107	1.5
172.99315	0.4
183.07683	0.3
183.11325	0.7
187.00873	4.1
196.99327	0.5
205.01926	1.1
215.00345	2.4
229.15451	100.0
230.15749	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	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
56.96558	1.1
57.03429	0.8
58.06590	5.8
59.07366	1.5
60.07867	0.6
60.08157	8.6
60.35009	0.3
61.02916	0.4
68.05017	1.5
69.03411	0.6
70.06583	43.6
70.99840	0.4
71.06905	0.4
72.08146	0.6
81.04505	0.5
85.02885	0.4
95.06099	0.6
96.08112	2.2
97.02888	0.4
98.06018	0.5
98.97583	1.6
101.00874	2.5
111.05567	1.6
114.05508	4.4
114.09171	1.9
116.07080	1.0
116.98604	0.4
119.01900	6.2
120.02021	0.6
124.07588	3.9
126.09182	0.5
127.05028	0.3
128.98611	0.6
131.01874	0.6
132.11969	0.4
133.03430	0.5
135.90173	0.3
137.02966	0.9
142.08618	35.4
144.99858	0.5
153.01799	2.9
161.02814	0.4
168.99809	0.8
170.08177	1.6
183.11263	0.6
184.04550	0.6
186.99321	0.3
187.00847	1.4
203.07655	0.4
205.01923	0.7
215.00261	0.7
215.07628	0.4
229.15437	100.0
230.15776	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01875	0.5
55.05514	0.3
56.34559	0.2
56.96556	8.6
57.03441	0.4
58.06592	6.7
59.07375	1.5
59.07667	0.2
60.08157	7.8
60.08466	0.4
68.05018	1.2
70.06582	41.4
71.06964	0.2
71.14014	0.2
72.08173	0.8
74.97611	0.2
82.99858	0.2
83.97622	0.3
85.02954	0.3
86.09705	0.4
96.08115	1.7
98.06035	0.5
98.97569	10.6
101.00845	1.5
103.58693	0.2
110.97521	0.3
114.05515	4.8
114.09145	2.4
116.00211	0.2
116.07073	0.8
116.98608	6.9
119.01902	3.0
124.07581	4.1
126.02290	0.4
126.09124	0.9
128.98572	0.3
134.01292	0.2
134.92705	0.2
134.99644	2.8
137.02907	0.6
140.03862	0.5
142.08615	34.5
143.00105	0.5
143.08925	0.5
144.99831	0.3
151.61894	0.2
152.04019	0.2
158.04939	0.6
160.06419	1.4
161.01213	1.3
170.05067	0.3
170.08124	1.7
174.99086	0.4
178.07426	0.3
179.02280	0.8
187.00879	0.4
188.05888	0.5
189.04301	1.1
193.00261	0.3
193.03593	0.2
206.07062	1.4
207.05443	0.7
215.00272	0.3
224.07997	1.9
225.24504	0.3
229.15436	100.0
230.06924	0.9
230.15749	1.8
248.08018	2.1
249.85464	0.2
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
57.03426	0.3
67.05490	0.7
67.92735	0.1
68.05812	0.4
69.03425	1.3
70.06573	0.2
71.43327	0.2
72.24088	0.2
79.92712	0.1
81.03406	0.9
81.07047	0.2
85.02898	0.8
87.00806	0.3
91.05482	0.2
97.02885	0.7
98.06016	0.2
105.01739	0.2
109.10146	0.4
110.10483	0.7
126.05501	0.2
127.03940	0.3
130.06502	0.8
131.07281	0.4
140.40132	0.1
145.08873	0.2
149.23946	0.2
158.09612	1.5
159.10483	0.2
172.11191	1.2
173.11986	3.1
174.12572	0.2
177.52156	0.2
186.12672	0.9
187.13538	8.9
188.14287	0.9
200.14340	2.0
201.15129	0.4
202.15796	0.2
214.15886	9.6
215.16629	2.3
230.19009	100.0
231.19351	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24382	4.7
54.18479	5.6
56.96556	90.8
58.06589	10.3
60.08151	6.9
63.83613	4.8
69.03425	9.3
70.06582	40.8
70.61228	8.3
71.06918	15.0
81.03371	7.3
84.08125	6.9
84.96037	10.9
85.02876	7.7
98.97546	38.3
101.00862	14.0
103.00623	13.3
103.02430	4.9
116.98592	26.5
119.01913	45.5
120.02042	9.1
121.01653	49.7
124.99149	5.9
134.99667	13.2
137.02992	13.1
139.02661	10.8
141.18065	5.5
142.08647	15.4
142.96414	7.4
143.00183	10.8
143.08965	23.3
145.03441	10.6
146.99574	6.4
161.01245	13.0
161.02946	6.0
183.10075	5.2
188.97018	6.7
189.00682	17.7
189.02440	15.9
200.85767	5.5
201.02396	8.9
230.15781	100.0
230.98190	7.0
231.03413	9.7
231.15976	20.0
232.26257	6.7
248.99217	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
56.66634	1.0
56.96560	13.9
58.99863	1.6
68.98270	1.5
69.03417	6.4
70.06577	3.8
71.06934	2.2
73.06576	1.1
74.06064	1.9
77.00888	1.4
81.03396	2.7
82.99837	2.2
84.04512	1.0
84.08136	1.8
84.96017	1.8
85.01398	4.2
85.02880	3.3
85.06502	1.4
86.99327	2.3
87.00827	0.9
87.22845	0.7
91.02406	1.5
97.02870	2.4
98.97577	7.1
99.04443	0.9
101.00868	23.7
103.00622	2.6
103.02433	19.8
105.00360	2.2
109.02848	1.7
110.97541	1.1
113.00850	1.9
115.02412	0.9
116.98632	5.8
117.03358	0.8
117.03995	7.1
119.01908	87.4
120.02041	2.2
121.01650	10.3
121.02624	1.4
121.03458	11.6
125.06036	0.8
127.02414	2.6
127.03922	1.8
128.98596	1.4
129.00339	4.0
131.01900	7.3
133.01720	0.7
133.03452	8.6
134.99619	3.3
135.05011	7.5
137.02940	24.3
138.02962	0.8
139.02695	2.9
142.03484	1.1
142.08607	1.0
143.00093	1.1
143.01891	2.5
143.09096	1.2
145.03436	48.9
146.03627	1.3
146.99582	2.4
147.01369	25.2
148.01463	1.0
149.01241	1.5
149.02905	1.7
149.86726	0.8
151.04509	2.7
155.01901	1.5
157.03462	2.6
161.01248	2.0
161.02945	19.1
162.99120	1.4
163.04517	27.3
164.04567	0.8
165.02443	9.3
167.02263	0.9
171.01363	17.3
173.02957	7.4
177.00716	1.2
179.02446	1.2
179.03937	4.5
183.03423	2.0
185.02946	3.5
185.06596	1.5
187.04477	3.9
189.02423	100.0
190.02647	3.3
191.03979	1.9
193.00192	1.6
198.99060	1.0
201.02411	7.7
203.03825	2.0
203.07478	1.9
207.01585	2.0
207.03485	26.1
207.05394	1.4
208.04411	2.7
212.04060	3.2
219.03465	15.4
230.15749	5.1
231.03467	30.0
231.06815	1.6
231.10384	1.0
231.16095	3.4
248.99065	3.6
249.04543	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	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.0
56.05022	0.7
56.96562	10.0
58.99832	0.7
59.54808	0.6
66.47186	0.6
68.98278	1.4
69.07053	1.1
69.45002	2.1
69.45365	0.9
70.06548	2.0
70.31744	0.6
70.99835	0.7
73.06532	1.4
74.02419	1.0
77.00875	0.6
77.84531	0.6
82.99834	1.2
84.04498	3.7
84.08142	3.0
84.95987	1.7
85.01379	4.1
85.02876	1.6
86.09705	4.2
86.99293	1.5
91.02459	1.6
98.97573	3.1
99.05577	0.8
101.00867	19.7
102.09144	2.5
103.02444	17.2
105.00343	1.5
109.76798	0.6
112.07522	0.6
113.00826	0.8
115.02399	0.8
116.98592	3.1
117.03292	0.6
117.04005	7.7
119.01917	71.8
120.01987	1.5
121.01587	0.6
121.03471	11.3
123.01421	0.7
124.99093	0.7
126.95559	0.6
127.02365	1.8
129.00330	3.6
130.05016	0.8
131.01894	4.0
133.03445	4.4
134.99654	1.7
135.05034	7.5
137.02957	21.6
142.03485	0.9
143.00114	2.1
143.01862	0.8
143.04825	0.9
145.03456	44.2
146.03514	1.1
147.00252	1.1
147.01379	21.7
148.01472	0.6
149.02925	1.1
151.04492	2.3
161.01219	3.4
161.02936	15.2
161.05887	0.8
163.04520	26.9
164.04620	0.8
165.02437	9.0
166.02806	1.7
168.10258	1.0
170.05978	2.6
171.01373	15.5
171.04420	2.1
173.02953	2.0
179.02454	1.0
179.03984	3.9
183.03481	2.0
184.04027	1.4
185.03018	0.7
187.04425	2.5
187.08665	1.0
188.07051	2.5
189.02432	100.0
189.05380	3.0
190.02504	2.9
191.04076	1.2
196.09804	1.0
199.00833	1.0
201.02411	1.1
207.01709	3.5
207.03488	22.8
207.06477	1.2
212.04063	1.7
213.06564	2.3
213.12437	1.6
214.05013	1.4
214.10736	2.4
231.03506	25.7
231.07562	6.2
231.10945	0.7
231.13478	1.1
232.06180	1.2
249.04587	8.0
249.08739	2.1
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
53.03938	10.0
55.01868	4.2
55.05506	0.9
57.03436	3.1
59.05005	0.7
61.02918	1.9
61.31342	0.5
67.05502	1.6
68.99779	3.7
69.03421	100.0
69.07059	1.0
70.03740	1.0
70.06584	1.4
70.47976	1.1
71.01370	0.6
71.04977	6.3
73.02902	0.8
74.17374	0.6
79.05486	1.1
81.03408	52.6
81.07037	1.7
82.03757	0.7
83.01336	2.3
83.04972	0.9
85.02895	48.5
87.00819	21.5
87.04451	0.6
91.05476	2.2
93.07060	1.2
95.04964	1.1
95.08595	1.5
97.02882	31.3
99.04446	15.0
103.05473	0.8
105.01846	3.8
105.03349	0.6
105.07024	6.5
107.08561	1.3
109.02866	25.2
109.06530	0.6
111.00766	0.7
115.05460	2.0
117.07030	1.4
119.08607	1.9
121.06485	0.6
121.10121	1.2
125.71832	0.6
127.03902	28.8
128.06233	2.3
129.07014	3.2
131.08554	1.3
133.06519	1.4
133.10129	1.2
141.07011	0.6
142.07773	2.2
143.04854	0.9
143.08569	6.0
145.04913	2.8
145.06538	1.3
145.10086	3.0
147.08047	1.6
147.11696	0.7
151.58138	0.7
153.06955	0.7
155.08559	1.5
156.09349	1.1
157.06509	0.8
157.10121	2.7
158.07309	0.7
159.08063	0.8
161.06004	1.6
161.09599	1.4
161.13333	0.7
167.08583	1.4
170.10814	0.9
171.02895	1.2
171.08047	1.5
173.09619	1.1
175.07513	3.1
175.11208	1.2
178.60652	0.7
185.09624	1.4
185.13245	2.2
189.05539	1.3
189.09103	1.7
195.08073	1.3
198.10490	0.8
203.14389	2.2
213.03906	1.3
213.09157	3.5
213.12735	2.3
213.16420	1.0
231.04805	5.1
231.10245	3.8
231.13771	8.7
231.17473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01860	3.6
55.05503	1.6
57.03423	3.4
61.02923	1.6
67.05513	0.9
68.99784	3.0
69.03419	80.7
69.07056	1.2
69.16867	3.6
70.54305	0.5
71.01335	1.3
71.04977	5.6
73.02901	0.8
79.05488	1.2
79.14095	0.5
81.03407	51.4
81.07051	1.9
83.01347	3.5
83.04964	0.7
85.02894	47.6
85.06528	0.8
86.03220	0.6
87.00816	30.1
87.04462	0.8
91.05475	1.1
93.07051	1.1
95.04952	3.5
95.08596	1.4
97.02879	100.0
98.03222	0.6
99.04440	16.6
105.01857	8.9
105.07021	0.9
107.08566	1.0
108.72521	0.5
109.02861	17.0
111.00797	1.9
113.06000	3.0
119.08594	0.8
122.07100	0.5
127.03897	32.0
128.06180	0.8
129.01834	0.6
129.07002	0.8
141.05446	5.6
143.08583	0.9
145.04915	2.7
145.10143	0.5
151.11168	1.3
157.10094	0.5
161.09628	2.2
161.13223	0.9
168.87938	0.5
171.02829	0.7
175.07501	0.7
185.13258	0.7
189.08900	0.7
203.06937	0.6
213.03954	0.9
214.17982	3.5
231.04918	7.6
231.13750	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63420	0.5
53.03942	14.8
55.01869	3.9
55.05512	1.0
57.03431	3.7
60.00552	0.5
61.02922	2.0
63.11869	0.4
67.01863	0.6
67.05531	0.5
68.99781	3.9
69.03422	100.0
69.07068	0.6
70.03774	0.6
70.87996	0.6
71.01350	1.0
71.04981	5.9
73.02924	0.9
79.05471	0.7
81.03409	67.2
81.07031	0.6
82.03735	0.8
83.01346	2.4
83.04961	0.8
85.02896	51.7
87.00822	22.5
91.05441	0.8
95.04958	0.8
97.02883	38.8
99.04443	14.8
105.01865	4.4
105.07023	2.4
109.02866	27.7
111.00796	0.9
111.39003	0.4
113.33168	0.5
115.03922	0.9
115.05465	0.5
117.07000	0.7
119.08567	1.1
125.02348	0.6
126.05590	0.6
127.03904	27.3
128.04218	0.5
128.06194	0.9
129.01797	1.3
129.06958	1.2
131.04887	0.5
131.08524	0.6
142.07785	0.8
143.08546	2.2
145.04941	4.2
145.10130	0.8
157.10089	1.4
167.08481	0.8
171.02867	0.6
171.07993	0.6
173.05995	0.5
173.09633	0.6
175.07549	1.3
185.09581	0.9
189.09053	0.6
213.03923	0.9
213.12576	0.7
231.04773	4.5
231.06847	0.6
231.10043	1.3
231.13733	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	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01868	4.2
55.05506	0.9
57.03436	3.1
59.05005	0.7
61.02918	1.9
61.31342	0.5
67.05502	1.6
68.99779	3.7
69.03421	100.0
69.07059	1.0
70.03740	1.0
70.06584	1.4
70.47976	1.1
71.01370	0.6
71.04977	6.3
73.02902	0.8
74.17374	0.6
79.05486	1.1
81.03408	52.6
81.07037	1.7
82.03757	0.7
83.01336	2.3
83.04972	0.9
85.02895	48.5
87.00819	21.5
87.04451	0.6
91.05476	2.2
93.07060	1.2
95.04964	1.1
95.08595	1.5
97.02882	31.3
99.04446	15.0
103.05473	0.8
105.01846	3.8
105.03349	0.6
105.07024	6.5
107.08561	1.3
109.02866	25.2
109.06530	0.6
111.00766	0.7
115.05460	2.0
117.07030	1.4
119.08607	1.9
121.06485	0.6
121.10121	1.2
125.71832	0.6
127.03902	28.8
128.06233	2.3
129.07014	3.2
131.08554	1.3
133.06519	1.4
133.10129	1.2
141.07011	0.6
142.07773	2.2
143.04854	0.9
143.08569	6.0
145.04913	2.8
145.06538	1.3
145.10086	3.0
147.08047	1.6
147.11696	0.7
151.58138	0.7
153.06955	0.7
155.08559	1.5
156.09349	1.1
157.06509	0.8
157.10121	2.7
158.07309	0.7
159.08063	0.8
161.06004	1.6
161.09599	1.4
161.13333	0.7
167.08583	1.4
170.10814	0.9
171.02895	1.2
171.08047	1.5
173.09619	1.1
175.07513	3.1
175.11208	1.2
178.60652	0.7
185.09624	1.4
185.13245	2.2
189.05539	1.3
189.09103	1.7
195.08073	1.3
198.10490	0.8
203.14389	2.2
213.03906	1.3
213.09157	3.5
213.12735	2.3
213.16420	1.0
231.04805	5.1
231.10245	3.8
231.13771	8.7
231.17473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74137	0.8
53.03939	4.0
54.28529	0.7
54.63508	0.7
54.89277	0.7
55.05507	34.4
57.03431	4.5
57.07066	4.0
59.04988	2.5
65.03916	1.3
67.05487	2.3
68.99780	2.7
69.03426	14.5
70.77770	1.0
71.04984	8.0
71.08618	2.7
79.05484	31.0
81.03413	4.5
81.07047	100.0
82.07343	1.0
83.04978	11.2
83.08614	11.4
85.02898	3.4
85.06526	9.2
87.00822	41.8
87.04443	0.8
97.02890	3.2
99.04480	1.1
99.08081	7.4
101.06004	1.4
101.70007	0.8
105.01861	3.8
109.02882	2.1
109.06508	44.9
117.07041	1.0
117.09118	3.8
127.03905	2.3
127.07542	45.9
128.07899	0.8
128.52722	0.6
129.07010	0.8
135.04367	0.7
142.07739	0.9
143.08609	1.0
145.06310	0.7
145.08588	14.4
147.08014	0.8
185.09732	0.7
231.08618	3.0
231.13631	1.3
245.64485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	2,7-dihydroxycadalene
Peak:m/z	Relative Intensity
53.03935	1.1
55.01876	0.9
55.05495	1.6
57.03411	0.5
57.07049	0.7
67.05509	1.0
69.03424	4.8
69.07064	6.7
69.72344	1.1
79.05486	1.7
81.03403	1.7
81.07043	0.9
83.04958	0.5
83.08611	1.6
85.02896	2.1
87.00773	0.5
89.03825	0.4
91.05466	10.4
93.07052	2.0
95.04944	1.5
95.08590	0.9
97.02869	1.2
98.23389	0.5
99.04448	0.6
103.05436	0.9
105.07022	9.5
107.08595	3.3
109.02905	1.0
109.06506	2.1
112.96992	0.4
115.05446	3.0
116.06273	2.0
117.07017	9.5
119.08565	10.2
121.06467	0.6
121.10129	1.2
125.08304	0.4
127.03892	1.0
128.06206	7.0
128.07077	0.6
129.06990	5.8
130.07774	1.7
131.07632	0.7
131.08553	6.8
131.09500	0.4
133.06508	1.4
133.10106	7.2
135.08058	1.4
141.06970	0.9
142.07765	3.2
143.04880	0.5
143.08551	14.5
144.09317	1.3
145.06436	1.9
145.10110	5.6
146.07204	0.7
147.08046	7.8
147.11690	1.3
149.05945	0.9
155.06013	0.5
155.08501	1.1
156.09361	0.8
157.06499	2.2
157.10124	2.5
159.08075	1.4
159.11714	2.2
160.08820	0.7
161.05978	6.6
161.09619	6.7
161.13258	0.6
162.06801	2.4
163.07520	9.8
170.10931	2.6
171.08003	3.9
171.11552	1.0
173.05969	0.6
173.09634	1.4
174.06735	0.8
175.07529	28.6
175.14867	2.6
176.08298	2.9
177.09103	0.9
183.08099	0.5
185.13243	3.3
187.07527	0.8
187.11206	1.2
188.08305	2.7
189.09088	25.3
189.12781	0.9
198.10390	1.0
201.09100	2.4
203.10657	2.6
203.14330	4.4
213.12677	2.5
215.10561	1.9
216.11417	3.7
231.13779	100.0
232.14151	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
55.01860	3.7
55.05501	3.4
56.03300	1.8
59.04992	5.4
67.05522	2.2
69.03412	4.9
69.07040	6.6
69.88330	3.2
69.88687	3.9
79.05479	3.5
81.03393	2.2
81.07027	2.5
81.38736	1.5
83.04964	3.4
83.08620	3.4
83.43581	1.8
85.99596	1.6
88.48012	1.4
91.05471	10.3
93.07043	3.7
95.04951	2.4
95.08565	3.4
98.23212	4.2
105.07023	16.1
107.08596	3.9
109.02876	1.8
109.06515	6.2
115.05454	4.4
117.06987	12.3
119.08563	20.9
121.10170	2.5
128.06219	16.0
129.07018	9.8
130.07762	3.5
131.08545	6.1
133.06482	3.6
133.10118	7.4
135.08055	2.1
135.62283	1.5
141.06967	3.6
142.07753	10.0
143.08545	36.4
145.06488	10.3
145.10110	11.5
147.08029	39.7
147.11670	2.7
155.08524	11.3
156.09331	4.8
157.06458	1.8
157.10126	15.1
158.07254	8.9
159.08049	6.6
159.11716	2.0
160.08827	6.2
161.05949	2.0
161.09612	21.8
161.13197	1.9
165.06995	2.9
170.10893	22.4
171.07982	11.2
171.11694	4.0
172.08890	2.0
173.06056	3.6
173.09607	16.7
174.06789	14.1
175.07536	45.9
175.11169	3.7
175.14801	5.0
180.09274	3.0
183.08023	4.6
184.08493	1.5
185.09686	1.8
185.13234	34.6
187.07547	2.6
188.08322	24.3
189.09076	37.9
195.11772	2.9
198.10381	6.0
201.09195	1.9
203.14304	22.9
213.12711	18.1
214.14487	1.5
216.11351	2.0
231.10077	3.3
231.13770	100.0
232.14076	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	231.1379
Annotation	2,7-dihydroxycadalene
Peak:m/z	Relative Intensity
52.38976	0.4
53.03938	0.5
54.64684	0.4
55.01867	0.6
55.05496	1.8
56.32774	0.4
56.96595	0.5
57.07055	1.2
67.05482	1.2
69.03440	2.7
69.03741	0.5
69.07059	7.8
79.05480	1.8
81.03395	0.9
81.07056	1.2
83.04967	0.6
83.08608	1.4
85.02890	0.7
91.05467	10.0
93.07045	2.6
95.04939	2.0
95.08591	1.5
98.22950	3.3
99.61952	0.5
105.07018	9.4
107.08557	2.4
109.06500	2.1
115.05448	2.7
116.06225	2.0
117.07011	10.4
119.04898	0.4
119.08565	12.1
121.06452	0.6
121.10104	0.9
128.06226	6.6
129.07014	7.0
130.07787	2.5
131.04895	0.5
131.08563	7.7
133.06461	1.8
133.10104	6.5
135.08064	1.4
141.06969	1.3
142.07782	2.4
143.04927	1.1
143.08548	14.6
144.09227	0.9
145.06468	2.6
145.10112	4.8
147.08038	7.8
147.11633	1.5
149.05888	0.8
155.06035	0.9
155.08522	1.0
156.09308	1.0
157.06493	2.7
157.10126	3.1
159.08052	1.7
159.11630	2.3
160.08813	0.9
161.05974	6.2
161.09578	8.2
161.13208	1.3
162.06735	2.1
163.07516	11.9
169.10126	0.7
170.07285	0.7
170.10904	2.2
171.08002	4.7
171.11646	1.2
173.05968	1.7
173.09673	1.2
174.06734	0.9
175.07530	26.1
175.10995	1.0
175.14780	2.8
176.08267	3.3
177.09047	1.1
185.09616	1.0
185.13196	3.4
187.07597	1.2
187.11168	0.6
187.14783	0.6
188.08304	2.9
188.11784	0.7
189.09084	24.5
198.10336	1.0
201.09138	2.9
203.10672	2.8
203.14285	5.5
213.08983	0.7
213.12701	2.4
215.10622	1.9
216.11403	3.7
228.78647	0.5
231.13774	100.0
232.14122	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	2,7-dihydroxycadalene
Peak:m/z	Relative Intensity
55.01860	0.7
55.05505	1.0
57.07066	1.0
61.85229	0.5
67.05518	0.5
69.03417	0.6
69.07066	5.7
71.56525	0.4
76.33295	0.5
76.87945	0.5
79.05482	1.9
81.07033	1.6
83.04948	0.6
83.08608	1.3
88.07652	0.8
91.05474	8.7
93.07018	2.0
93.98981	0.5
94.52498	0.5
95.04958	1.5
95.08619	0.8
103.05455	0.7
105.07018	9.5
107.08599	2.0
109.06500	1.7
115.05437	2.1
116.06226	1.8
117.06275	0.8
117.07021	8.1
119.08581	8.2
119.74053	0.5
121.10198	0.7
128.06213	6.2
129.07002	5.1
130.07747	1.7
131.08543	5.9
133.06465	1.2
133.10106	3.7
141.07018	1.1
142.07738	1.8
143.08551	10.7
144.09290	1.0
145.06485	1.8
145.10110	3.6
147.08043	6.1
147.11649	0.9
155.08568	1.4
156.09335	1.1
157.06502	2.1
157.10130	3.4
159.08000	1.3
159.11714	2.3
160.08812	0.6
161.05971	6.7
161.09612	5.9
161.13278	0.6
162.06732	3.4
163.07545	7.2
170.07314	0.7
170.10927	2.1
171.08063	2.8
171.11682	1.0
173.05901	0.7
174.06749	0.9
175.07539	24.2
175.11159	0.8
175.14832	1.9
176.08290	3.2
177.09094	0.8
183.07983	0.6
185.09558	1.1
185.13205	3.1
187.07536	1.2
187.11113	0.8
188.08292	3.1
189.09085	16.8
189.12764	1.0
198.10324	0.5
201.09091	3.1
203.10626	2.5
203.14282	3.6
213.12711	1.9
215.10693	1.5
216.11461	4.8
231.13783	100.0
232.14120	2.4
232.22665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	2,7-dihydroxycadalene
Peak:m/z	Relative Intensity
55.01857	1.7
55.05500	2.1
57.07063	1.0
65.15833	0.5
67.05500	1.8
69.03431	4.5
69.07065	7.8
71.15576	0.6
71.15919	0.8
79.05479	2.5
81.03402	1.8
81.07044	1.3
83.08596	1.4
85.02918	1.3
87.00826	1.4
88.07652	0.7
89.54427	0.6
91.05472	11.2
93.07024	2.7
95.04961	1.3
95.08604	1.8
97.02872	1.4
97.06548	0.6
103.05460	1.3
105.07025	11.4
107.08595	2.8
109.06510	1.7
115.05455	5.2
116.06255	3.0
117.07004	9.4
119.08574	10.1
121.06481	0.9
121.10130	1.4
123.08048	0.7
125.61227	0.5
128.06207	6.9
129.07010	7.3
130.07773	2.2
131.08553	7.7
132.05708	0.9
133.06465	1.6
133.10132	7.1
135.08035	1.8
141.06992	1.4
142.07748	2.5
143.04887	2.4
143.08543	18.4
144.09294	1.8
145.06448	2.3
145.10121	5.8
147.04425	1.1
147.08035	6.9
147.11705	1.5
149.05937	1.3
155.05997	0.9
155.08536	1.7
156.09314	1.6
157.06474	2.3
157.10112	4.5
159.08037	1.5
159.11693	2.5
160.05191	1.1
160.08791	1.8
161.05980	8.3
161.09625	7.8
162.06747	3.0
163.07542	10.5
170.07274	0.7
170.10893	2.5
171.04405	1.1
171.08038	4.2
171.11737	1.9
173.05997	1.2
173.09627	1.1
174.06769	0.9
174.10352	0.9
175.07532	29.5
175.11179	1.9
175.14803	3.1
176.08318	3.3
177.09085	1.0
185.09587	1.2
185.13271	5.0
187.07510	1.4
187.11143	1.3
188.08322	2.7
189.09093	25.9
190.09360	0.6
198.10435	1.4
201.09050	3.9
203.06978	1.4
203.10631	2.5
203.14285	5.1
213.09087	1.0
213.12686	3.6
213.16341	0.7
215.10762	0.6
216.11420	4.2
231.06578	2.7
231.13779	100.0
232.14122	2.0
232.19144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70319	0.5
52.41459	0.5
53.03940	0.7
55.05513	0.8
56.05040	4.1
57.03424	0.9
57.07071	3.7
63.04239	0.5
66.80647	0.5
69.03423	7.9
69.19904	1.7
69.20311	1.8
69.50491	0.6
71.04983	0.8
79.34023	0.6
81.03417	4.1
81.07049	0.9
83.06097	2.7
83.08582	0.8
84.04494	100.0
85.02896	11.4
85.04778	0.8
85.10170	18.1
87.00816	1.8
87.04436	0.6
91.05460	0.8
94.30929	0.6
95.01289	0.8
95.08575	0.8
97.02893	4.2
99.04459	1.3
102.05534	6.0
102.12806	66.9
102.25250	0.6
103.13168	0.6
105.07046	0.7
107.04960	0.6
107.08570	0.6
109.02835	1.7
111.04440	0.7
112.03958	0.8
115.05447	1.3
119.08577	0.8
124.70824	0.5
126.63863	0.5
127.03886	1.6
130.04985	62.6
131.05269	0.7
131.08594	0.6
143.04974	0.7
143.08589	1.2
145.04886	0.7
154.15857	1.1
157.10152	0.6
175.07404	0.7
185.09642	0.8
185.16473	16.7
194.51329	0.7
203.06819	0.8
213.12709	1.5
214.14349	49.3
231.13777	2.3
231.17000	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	232.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37958	2.0
55.01870	4.1
69.03425	6.2
69.07069	4.3
70.02949	8.1
70.03758	2.3
70.06577	2.2
70.75333	2.8
71.01326	2.0
71.08625	66.5
72.04482	3.7
74.02425	2.2
80.01388	2.0
81.03423	2.9
83.04944	1.8
84.04491	4.5
85.02900	8.2
86.03230	2.6
87.00826	2.7
87.04438	2.1
88.03985	81.2
88.11264	5.1
95.08624	2.0
97.02896	2.7
98.02399	42.8
98.03079	3.0
99.00822	4.5
100.03996	5.0
116.02615	3.4
116.03444	70.6
126.01873	2.3
128.04350	2.1
130.04987	39.4
138.37044	2.2
139.35429	2.1
142.16788	2.3
144.02917	35.0
145.06464	2.4
146.04440	11.2
147.41554	2.0
158.04457	33.6
158.11823	3.6
168.10127	12.6
171.13385	2.3
174.12759	2.7
176.05589	2.1
182.27650	1.9
186.11250	47.6
214.10730	100.0
215.11082	2.2
232.09729	4.0
232.11726	23.9
232.17059	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	232.1542
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
57.03428	1.5
58.06599	0.5
58.47327	0.2
60.08159	9.2
71.04989	1.6
72.08148	2.1
73.08500	1.1
80.05009	0.3
84.08124	0.4
85.02895	100.0
86.03232	0.6
86.09708	1.2
87.10020	0.9
119.01950	0.2
129.07861	0.3
131.70419	0.2
141.82222	0.2
144.10173	1.8
173.08076	10.8
174.12794	0.3
221.74400	0.2
232.15399	22.2
233.15619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.23885	0.6
54.69783	0.5
55.01863	1.0
55.05502	18.5
56.05042	1.1
57.03441	1.1
63.57008	0.5
67.05499	11.8
67.05814	1.0
69.03421	6.8
69.07059	19.1
70.03763	3.1
70.06588	8.8
70.06946	0.9
70.23074	1.7
71.04990	4.2
73.06547	0.9
79.05485	5.6
81.03440	2.7
81.07047	30.0
82.03735	3.2
83.04993	2.0
83.08608	14.4
83.09082	0.8
84.08157	2.3
85.02897	4.1
85.06523	4.4
86.03250	2.0
87.00837	1.9
87.04490	0.8
88.01161	1.3
91.05474	6.5
93.07032	7.1
95.04965	0.9
95.08594	37.4
97.02903	3.7
97.06532	5.3
97.10167	5.1
98.03204	5.2
99.04469	1.4
99.08109	2.3
100.04803	1.0
101.04554	0.6
105.07016	8.1
105.07646	0.8
107.08575	3.5
109.06499	1.6
109.10127	3.5
111.08083	1.2
115.07594	1.1
117.07072	1.2
119.08566	10.4
119.37848	0.6
121.10145	2.4
123.08051	3.9
127.03911	1.7
127.07514	1.1
128.04230	1.2
132.10846	0.6
133.10114	8.3
133.70988	0.7
135.11665	5.7
137.09590	1.9
137.13225	6.9
139.65047	0.6
145.10135	0.7
149.13216	1.3
159.11682	0.8
161.11888	1.0
161.13239	20.0
171.15796	0.7
176.80026	0.6
178.15915	1.6
179.14302	9.8
196.16933	13.8
197.15376	3.9
197.16953	0.7
210.93019	0.7
214.17986	100.0
215.03491	0.8
215.18346	1.1
225.38875	0.6
232.05252	0.6
232.19032	32.6
233.11665	1.2
233.19351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2059
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
54.41695	0.2
55.05509	0.2
57.07056	0.2
57.35569	0.2
67.04226	0.6
67.05489	0.4
69.07076	0.3
69.19642	1.3
70.06237	0.2
70.06591	3.5
77.00996	0.2
79.05499	1.2
80.04986	0.3
81.07059	1.4
83.07375	0.5
84.08088	0.2
87.54772	0.2
91.05470	0.9
93.07026	1.1
94.06586	0.5
95.07327	0.8
95.08601	0.4
96.08105	0.7
103.16181	0.3
105.07029	1.4
106.06564	0.3
107.07320	0.4
107.08591	0.8
108.08128	1.0
110.09634	0.2
111.10490	0.2
119.08563	0.7
119.31744	0.2
120.08101	5.1
121.08886	1.4
121.10121	0.3
122.09672	1.6
131.08478	0.3
132.08011	0.3
133.08916	0.4
133.10023	0.3
134.09633	1.6
134.10733	0.3
135.10423	0.5
136.11203	0.3
146.09630	1.7
147.10393	0.6
148.11192	2.6
149.11951	0.6
150.12769	5.9
160.11208	1.1
161.11951	0.5
162.12781	0.3
174.12766	4.4
176.14316	0.6
188.14337	3.4
190.15904	3.0
202.15919	1.9
203.14763	0.5
203.16673	7.3
204.17381	0.6
230.18959	0.4
232.20584	100.0
233.15288	0.3
233.20912	2.6
234.89171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99485	5.3
60.23279	5.8
65.64112	6.6
66.71234	5.5
67.05499	9.6
68.99777	7.7
69.07055	6.3
70.54966	12.9
75.74610	6.3
76.35218	5.5
79.05494	12.6
81.03175	24.4
81.07059	16.4
84.36159	5.6
91.05491	24.6
93.03966	5.9
93.07037	17.9
95.04938	14.7
99.04441	11.8
105.07020	38.2
107.04910	11.7
107.08560	9.8
115.19854	6.0
117.07003	12.2
119.04946	81.7
119.08576	15.7
121.06478	18.1
121.10127	7.9
129.07007	7.3
130.07722	7.3
131.08551	16.4
133.10133	14.3
145.10127	48.0
147.08058	6.6
155.08377	6.5
158.07030	100.0
159.11708	22.1
163.11137	29.8
169.10182	13.3
173.09616	46.6
187.07314	72.2
187.11127	37.4
190.06215	6.1
191.10698	6.2
197.09645	6.6
204.07600	6.2
205.12238	10.2
215.10657	28.2
215.14355	6.6
233.09471	12.3
233.11557	47.6
233.15379	27.3
233.18954	15.5
246.92137	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	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.62938	0.5
53.03946	0.6
55.01868	1.6
55.05485	0.6
65.03941	1.1
67.05492	2.2
69.03414	3.7
69.07067	1.1
70.02394	0.5
71.01351	1.1
71.04990	0.7
77.03946	0.6
79.05484	5.2
81.03392	0.9
81.07046	2.1
83.04980	1.4
91.05472	9.3
93.07047	3.7
93.14937	0.5
95.04961	3.2
95.08570	1.0
97.06515	4.1
98.23521	1.1
103.05460	2.8
105.07014	9.5
107.04941	2.1
107.08575	2.6
109.06500	2.2
111.04434	1.5
115.05435	4.9
116.06216	0.9
117.07010	12.1
119.04939	1.7
119.06123	0.5
119.08568	10.1
121.06474	3.7
121.10149	1.2
123.08047	2.5
125.05956	0.7
128.06201	1.7
129.06995	4.7
130.07780	2.2
131.04912	4.1
131.08571	6.4
132.05685	0.7
133.06517	1.2
133.07423	0.5
133.10095	1.9
135.08035	100.0
136.08377	1.4
137.05978	5.3
139.07515	1.3
141.06989	4.2
143.08499	2.8
144.05652	2.8
144.09306	4.7
145.05312	0.8
145.06468	12.9
145.10098	10.5
146.03632	1.0
146.07260	0.7
147.04359	0.7
147.08029	2.8
147.11664	1.2
149.05948	1.2
149.09639	0.9
151.03874	1.9
151.07541	3.1
153.06972	1.2
154.07767	2.4
155.04875	1.7
155.05971	1.2
155.08521	2.7
156.09329	8.7
157.06490	2.7
157.10162	1.5
158.07249	5.0
159.04375	1.3
159.08052	6.2
159.11673	18.7
160.05118	1.7
160.08826	0.9
161.05998	4.5
161.09608	1.8
162.06543	0.6
163.07538	5.0
163.11261	2.4
169.10115	6.0
170.10878	1.3
171.08005	1.7
171.11658	3.6
172.05162	2.2
172.08813	17.5
173.06009	3.4
173.09602	29.6
173.13268	0.9
174.06731	1.7
174.10330	1.1
175.07497	3.4
175.11076	1.0
177.05429	1.5
177.09053	4.1
183.04323	1.3
187.07584	5.9
187.11157	39.6
188.11517	1.3
189.05412	0.8
189.09109	2.1
189.12651	3.2
190.06221	1.7
191.07077	2.7
191.10622	1.8
197.09564	2.8
200.04631	0.6
200.08435	0.6
201.05424	1.7
201.09029	0.6
205.08531	5.3
205.12215	1.6
205.15753	0.8
215.07227	3.7
215.10649	22.8
215.14178	1.5
229.42358	0.6
233.08067	10.0
233.11685	23.6
233.15150	4.2
234.11935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.39021	0.5
53.03941	1.3
55.01863	1.8
55.05510	2.6
55.30820	0.5
57.07055	0.9
57.76685	0.5
59.04993	0.6
64.88483	0.5
65.03928	1.1
67.05508	3.6
68.99777	1.5
69.03433	1.3
69.07062	3.7
70.00206	1.3
71.04987	1.8
72.51383	0.5
75.34370	0.5
77.03912	1.3
79.05042	0.8
79.05486	13.0
81.07049	5.1
83.04961	1.7
85.06506	0.6
87.00829	1.1
88.07605	1.7
91.05474	11.0
93.07037	8.5
95.04957	6.3
95.08588	2.0
97.06510	0.9
99.04430	4.3
103.05464	1.2
105.04494	1.2
105.07022	23.9
106.08647	1.2
107.04945	15.1
107.08582	4.7
109.06484	1.9
109.10129	0.6
115.05441	2.3
116.06213	0.8
117.07013	11.3
119.04932	4.5
119.08574	7.5
121.06495	10.6
121.10140	3.2
123.08034	0.7
127.07491	0.7
128.06195	1.8
129.06999	3.6
130.07784	8.4
131.04907	0.8
131.08575	7.0
133.06467	2.0
133.10091	3.3
135.08061	3.1
135.11684	3.1
137.05962	2.1
141.06964	2.1
143.08554	5.0
144.09274	1.5
145.06427	3.6
145.10112	50.8
146.10466	0.9
147.08020	2.4
147.11664	6.4
148.08804	3.5
149.05907	0.8
149.09645	0.5
151.07489	0.6
154.07732	1.6
155.08580	1.4
157.10106	1.4
158.07285	3.5
159.08052	3.9
159.11690	9.5
161.05960	1.0
161.09601	1.1
161.13170	0.5
163.11165	73.5
164.11494	0.9
169.10127	5.2
171.11659	1.0
172.08769	0.9
173.09604	100.0
174.09975	1.7
175.07541	2.0
177.09218	0.6
177.12781	0.9
187.11157	18.8
189.12698	4.0
190.15846	3.7
191.10689	5.0
197.09613	3.1
205.12210	5.1
214.21655	0.8
215.10623	12.5
215.14226	1.9
216.17398	0.6
232.22702	3.1
233.08105	1.0
233.11690	21.9
233.15161	4.1
233.18736	1.1
233.20740	0.5
233.22977	2.4
234.12050	0.9
244.74004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03941	1.1
55.01866	4.0
55.05507	4.2
57.03428	0.9
57.07058	0.8
65.03920	4.3
67.05505	7.4
68.99767	3.0
69.03413	4.5
69.07063	5.6
70.06590	1.2
71.01337	1.2
71.04989	6.3
77.03899	1.4
79.05044	1.3
79.05483	19.8
81.03380	1.7
81.07049	11.7
83.04962	2.5
83.08551	1.0
85.02883	1.0
85.06516	2.6
91.05468	26.3
93.07037	15.0
95.04966	12.7
95.08600	3.8
97.06503	2.4
99.04442	17.5
103.05441	1.6
105.04516	1.9
105.07024	39.3
107.04939	17.5
107.08579	8.3
109.06513	6.6
109.10136	2.3
111.92155	0.8
113.05968	1.1
115.05411	3.7
116.06196	1.6
117.07001	18.3
119.04929	100.0
119.08569	12.6
120.05246	1.8
121.06490	21.8
121.08393	1.1
121.10135	3.7
123.04468	0.9
123.08031	1.2
125.05972	2.6
128.06200	3.3
129.06979	8.0
130.07770	8.8
131.04892	1.9
131.08559	22.1
133.06474	5.0
133.10118	11.0
135.04456	1.3
135.08032	6.1
135.11659	2.7
137.05974	3.1
141.07008	5.6
142.07713	1.9
143.08572	10.2
144.05653	1.2
144.09285	6.4
145.06459	7.9
145.10107	72.5
146.10457	1.2
147.06982	0.8
147.07979	4.8
147.11658	5.4
148.08839	4.5
149.05966	2.4
149.09576	1.8
154.07780	6.0
155.08479	3.2
156.09271	1.7
157.10123	2.2
158.07265	6.5
159.08055	9.6
159.11673	29.4
161.05963	0.9
161.09616	2.7
161.13271	2.0
163.07503	2.8
163.11163	82.6
164.11491	1.3
169.10136	12.6
171.08029	2.8
171.11623	3.1
172.08818	3.5
173.09604	71.5
173.13184	4.6
174.09985	2.5
174.12697	2.0
175.07532	7.5
175.11078	1.0
175.13248	1.3
177.05518	0.9
177.09052	1.1
177.12753	1.3
179.08546	2.1
182.07210	1.3
187.11160	51.2
187.14664	2.1
189.09073	1.4
189.12717	2.4
190.15811	1.0
191.10655	6.2
191.14323	1.7
197.09598	7.7
205.08481	0.8
205.12213	10.8
210.35753	0.9
215.10652	38.4
215.14191	2.7
215.17819	1.1
216.10983	1.1
232.20517	7.2
232.22736	3.1
233.07996	2.3
233.11679	36.0
233.15240	9.2
233.18904	2.2
233.20842	7.7
233.22932	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03955	0.9
55.01860	3.4
55.05499	2.2
57.03421	0.8
62.07568	0.7
65.03945	1.2
67.05501	6.6
68.99787	1.2
69.03416	4.4
69.07066	3.8
69.22511	4.7
71.04990	4.0
77.03931	1.3
79.05051	0.8
79.05487	13.5
81.03386	0.9
81.07046	8.5
83.04980	6.0
87.00829	0.9
91.05473	20.7
93.07035	12.1
95.04967	9.0
95.08604	1.4
97.02894	0.9
97.06536	4.6
99.04432	4.9
103.05453	2.9
105.04565	1.0
105.07024	30.4
107.04946	14.0
107.08574	5.6
109.06516	14.0
115.05420	3.6
116.06231	1.0
117.07011	18.4
119.04925	14.6
119.08550	7.2
121.06510	13.1
121.10136	2.5
123.04396	1.7
125.05982	2.4
127.07504	1.2
128.06223	4.5
129.07016	7.5
130.07767	10.0
131.04921	3.6
131.08559	15.8
133.06462	5.5
133.10184	4.6
135.04388	2.2
135.08051	7.2
135.11662	1.4
137.05969	8.4
141.07005	4.0
142.07739	1.3
143.08563	8.9
144.05707	1.2
144.09312	4.7
145.06471	8.3
145.10114	60.8
146.07274	1.3
146.10527	0.9
147.08034	4.3
147.11687	5.9
148.08817	1.8
149.05988	1.6
149.09561	2.2
151.07492	1.0
153.06999	1.5
154.07764	5.3
155.08528	4.6
157.06439	1.5
157.10129	2.6
158.07254	6.8
159.08049	7.5
159.10368	0.9
159.11685	17.7
160.05212	1.1
161.05992	1.8
161.09598	2.1
163.07521	2.2
163.11174	29.9
167.08546	1.4
169.10117	14.4
171.08011	2.7
171.11665	1.6
172.08817	2.6
173.09608	100.0
174.06706	1.1
174.09988	2.7
175.07510	2.6
177.05457	1.0
177.12726	1.2
179.08508	3.5
181.06512	1.3
182.07278	3.6
187.07603	1.2
187.11169	37.9
187.14795	2.4
188.11562	1.2
189.09106	2.4
189.12746	3.1
191.10648	15.0
197.09612	10.4
205.08685	1.0
205.12230	6.1
215.10657	25.2
215.14160	1.4
233.07991	2.6
233.11703	37.8
233.15135	4.3
234.12091	0.9
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
50.23706	0.5
53.03946	0.8
54.24605	0.5
55.01861	1.4
55.05504	1.1
65.03921	1.0
67.05495	2.2
69.03419	1.4
69.07048	1.4
70.08701	1.1
70.09041	0.9
71.04987	1.2
77.03919	0.8
79.05481	5.7
81.07043	2.2
83.04971	1.1
87.00819	1.2
91.05466	7.5
93.07039	6.1
95.04974	3.2
95.08611	0.5
97.06529	0.7
99.04447	2.7
103.05457	1.3
105.06348	1.0
105.07021	16.5
107.04939	9.3
107.08562	2.2
109.06499	1.9
111.54788	0.6
115.05421	1.3
116.06172	0.7
117.06996	8.3
119.04970	4.6
119.08561	4.5
121.06481	5.7
121.10164	1.0
123.04465	0.6
128.06183	1.9
129.06970	2.9
130.07784	6.9
131.08578	4.5
133.06480	2.3
133.10114	1.4
134.80173	0.6
135.04456	0.6
135.08023	2.6
135.11658	1.4
137.05974	1.4
141.07014	1.2
143.08557	4.3
144.05710	0.6
144.09288	1.3
145.06470	2.9
145.10109	37.2
146.10374	0.5
147.08008	1.2
147.11650	5.4
148.08810	1.6
154.07733	1.6
155.08534	1.3
157.06549	0.6
158.07277	2.7
159.08041	3.0
159.11693	6.3
163.11154	26.8
169.10121	3.9
171.08052	1.0
171.11624	0.9
172.08783	1.0
173.09601	100.0
174.09949	2.0
176.75539	0.5
179.08484	1.2
182.07242	0.9
187.11153	13.2
189.12732	2.0
191.10646	2.2
197.09644	4.1
205.12204	2.5
215.10651	9.3
233.11702	15.4
233.15392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03933	0.6
55.01862	1.2
55.05495	1.4
65.03923	0.4
67.05502	2.3
68.79235	0.4
69.03416	1.1
69.07066	2.0
70.09657	0.9
71.04976	1.2
77.03925	0.5
79.05483	7.4
81.07054	2.9
83.04964	1.5
87.00812	1.0
91.05471	6.8
93.07028	5.8
95.04956	3.8
95.08620	0.9
96.60855	0.4
97.06521	0.8
99.04452	1.8
103.05447	1.4
103.56592	0.4
105.04552	0.5
105.07019	18.3
107.04943	8.4
107.08585	2.7
109.06510	2.5
115.05451	1.3
117.06194	0.5
117.07008	9.6
119.04928	5.3
119.08549	5.0
121.06490	6.3
121.10126	1.4
123.04433	0.4
128.06216	2.0
129.07011	2.9
130.07777	8.9
131.04877	0.8
131.08548	5.2
132.05666	0.4
133.06454	2.2
133.10092	1.6
135.04382	0.6
135.08034	2.0
135.11661	1.7
137.05963	1.0
141.06990	1.4
143.08525	5.0
144.05666	0.7
144.09315	1.2
145.06464	3.4
145.10109	39.4
147.08034	1.4
147.11656	4.5
148.08777	0.6
149.05901	0.5
149.13133	0.4
153.06969	0.5
154.07747	1.8
155.08588	1.9
157.10115	0.6
158.07227	3.5
159.08040	2.8
159.11684	6.1
161.06071	0.5
161.09581	0.7
162.06880	0.4
163.07506	0.9
163.11166	17.8
167.08479	0.5
169.10107	3.9
171.08002	1.0
171.11685	0.5
172.08815	1.3
173.09596	100.0
174.09953	2.2
175.07457	0.5
175.11179	1.1
179.08540	1.5
182.07285	1.1
187.07553	0.6
187.11151	10.8
189.12708	2.5
191.07025	0.5
191.10652	2.2
197.09604	4.0
205.12219	1.3
215.10649	9.0
215.14127	0.5
233.11678	12.4
233.15367	1.7
249.37833	0.4
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
53.03933	2.5
55.01875	5.7
55.05500	5.2
56.05029	2.1
57.07062	2.4
58.06582	1.0
64.42799	1.1
65.03938	2.7
67.05502	10.6
68.99772	3.3
69.03424	6.7
69.07073	3.1
69.21708	4.7
69.22117	2.9
71.04984	11.4
74.06068	3.2
76.79643	1.2
77.03930	1.5
77.91303	1.1
79.05488	13.2
81.03391	2.3
81.07039	8.1
83.04966	4.1
85.06496	2.4
88.07632	7.7
89.07960	2.6
91.05471	33.0
93.07038	18.8
95.04960	16.2
95.08598	2.6
99.03804	2.0
99.04450	39.2
103.05453	2.8
105.04466	1.7
105.07023	54.9
107.04939	10.0
107.08611	6.5
109.06509	5.2
113.05972	1.4
115.05456	5.3
116.06236	1.4
117.07010	25.7
119.04940	34.6
119.08581	15.2
120.06608	1.3
121.06495	19.3
121.10133	2.7
123.08025	1.7
125.05944	2.1
128.06210	7.5
129.07004	16.3
130.07759	13.3
131.04906	3.2
131.08568	32.7
133.06429	6.8
133.10110	18.1
133.11021	1.7
135.04399	3.1
135.08038	5.0
135.11713	2.5
137.05974	3.5
141.07010	8.3
142.07750	3.1
143.08539	14.1
144.05690	2.1
144.09331	12.2
145.06483	12.3
145.10117	100.0
146.07216	2.1
146.10426	1.2
147.08014	5.4
147.11676	5.4
148.08864	2.3
149.06042	3.1
149.09497	1.5
153.06955	2.3
154.07756	9.8
155.06012	1.4
155.08549	4.3
156.09335	3.9
157.06517	2.7
157.10107	2.4
158.07246	9.9
159.04477	1.3
159.08037	16.5
159.11684	44.1
160.08737	1.4
161.09634	3.4
161.13232	1.6
163.07523	2.6
163.11168	53.6
167.08444	1.9
169.10133	23.1
171.08034	2.3
171.11653	5.3
172.08795	7.6
173.09612	97.8
174.06737	2.3
174.10104	2.8
175.07549	7.9
177.05392	1.2
177.12740	1.3
179.08481	3.0
182.07281	2.6
186.18517	5.0
187.07576	3.6
187.11165	98.0
187.18808	3.3
188.11588	2.5
189.09036	2.8
189.12709	3.3
191.06961	1.5
191.10637	8.4
191.21823	1.3
197.09604	13.2
202.86209	1.3
205.04761	1.3
205.08580	1.7
205.12241	17.9
211.75616	1.4
215.10655	67.9
216.10887	1.8
232.19078	1.6
233.08015	4.4
233.11708	59.6
233.15381	4.8
233.19339	7.2
234.12048	1.8
234.18524	1.9
234.20613	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	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.02372	1.5
52.76571	1.6
53.03934	1.7
55.01860	4.1
55.05503	4.9
57.03414	2.8
57.07056	2.4
65.03938	2.8
67.05502	11.9
69.03414	9.7
69.07058	3.4
70.33072	2.7
71.04991	11.2
77.03947	2.1
79.05486	16.9
81.03400	4.3
81.07040	14.0
83.04980	7.6
85.02936	1.7
85.06541	2.1
91.05473	36.3
93.07036	15.1
95.04955	16.9
95.08595	4.4
97.06512	6.6
99.04443	25.9
103.05454	3.6
105.04484	1.7
105.07016	48.3
107.04934	11.4
107.08586	12.9
109.06510	16.6
109.10136	2.4
111.04454	3.1
115.05441	5.7
116.06224	1.9
117.07013	31.1
119.04940	23.1
119.08567	20.4
121.06503	19.0
121.10146	7.7
123.08101	3.0
125.06011	2.5
127.07542	2.2
128.06215	4.3
129.06989	14.1
130.07782	11.8
131.04939	5.2
131.08560	42.6
133.06474	5.9
133.10120	13.5
135.04416	3.8
135.08052	7.9
135.11682	2.7
137.05962	9.1
137.09613	1.6
141.06985	6.3
143.08566	15.8
144.05682	2.0
144.09308	7.6
145.06454	12.9
145.10112	99.0
146.07166	2.1
146.10426	1.6
147.08034	9.7
147.11702	7.6
148.08871	1.9
149.05977	3.8
149.09595	4.6
153.06976	3.3
154.07764	7.2
155.08595	8.4
156.09250	1.9
157.10106	4.7
158.07198	10.1
159.04420	2.2
159.08038	19.2
159.11679	44.2
160.05098	2.5
161.05945	2.9
161.09601	5.0
163.07527	4.7
163.11166	37.5
163.12448	3.1
169.10133	22.1
171.08008	3.8
171.11656	4.0
172.05257	2.1
172.08827	7.1
173.09604	100.0
173.13206	5.3
174.10141	3.5
175.07509	7.8
175.11180	3.2
177.05457	2.9
177.09021	3.1
179.08533	3.2
182.07277	1.9
187.07538	2.7
187.11159	83.3
187.14786	6.0
189.08998	2.0
189.12744	4.3
191.10643	20.9
197.09589	12.8
205.08580	2.2
205.12221	16.7
205.15860	2.2
215.07155	1.9
215.09038	1.4
215.10648	56.6
215.14000	8.1
233.08099	7.7
233.11703	61.7
233.15254	22.4
233.19063	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	233.1494
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
56.05025	2.4
56.96282	1.2
56.96558	15.6
57.03435	1.6
59.71947	0.6
63.96367	0.8
67.05502	1.1
67.20269	0.5
69.03419	1.8
69.07060	22.7
71.04976	0.6
82.81938	0.7
83.06101	1.6
84.04497	65.1
84.08123	3.3
85.02891	13.0
85.04790	0.8
86.09696	100.0
91.05479	0.7
98.06068	1.1
98.97574	16.1
100.99128	1.6
102.05553	2.4
104.10740	13.4
110.97573	1.0
112.07593	4.2
113.06026	0.7
116.97787	0.7
116.98612	14.3
117.07040	1.1
119.01923	2.4
123.89593	0.6
127.03903	4.6
130.04996	25.5
130.52545	0.7
133.01750	0.7
134.99648	9.9
136.11241	1.3
137.02937	1.1
142.04955	1.3
143.03796	2.4
145.06407	0.8
146.99660	1.1
151.12320	1.0
152.10692	1.6
153.00690	0.9
154.04958	2.6
156.03320	2.8
159.06483	3.0
161.04825	6.1
162.99091	1.6
163.02792	1.1
165.00664	1.1
166.01759	2.1
168.04944	6.2
168.06479	1.4
168.55127	1.2
169.13341	5.8
170.11761	3.5
172.94333	2.4
173.01195	0.7
174.04321	4.2
177.05489	7.9
177.55659	1.9
179.05850	1.2
181.03491	2.1
184.02779	3.1
186.04346	4.9
190.95256	3.2
190.98625	1.1
191.02249	1.5
191.05882	4.7
197.01312	0.7
197.12874	1.8
198.11234	31.2
202.58575	0.6
204.05498	2.8
208.96423	1.5
208.99609	1.8
209.05171	0.9
209.06982	2.7
215.13893	29.4
216.12314	4.2
216.14185	1.0
217.15675	1.1
232.96423	6.4
233.04951	0.9
233.07019	1.8
233.14873	11.3
246.02921	0.7
250.93111	1.7
250.97479	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	233.1496
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
52.53365	0.7
53.03955	1.0
55.05498	1.2
56.05032	4.1
56.96562	27.0
57.03436	6.4
57.07069	1.0
60.95845	0.9
68.05022	0.9
69.03432	2.0
69.07060	33.0
69.22312	3.7
70.00953	0.7
70.06585	1.9
70.98111	1.3
71.04979	2.9
71.95273	0.8
72.08147	3.9
73.06552	1.0
75.04483	1.0
81.03410	7.3
81.07021	0.7
83.04973	1.0
84.04496	92.6
84.08117	0.9
84.96046	1.4
85.02896	29.5
85.06536	2.4
86.06053	15.0
86.09697	59.5
87.08102	4.2
87.08570	0.6
88.07612	1.2
95.04999	0.8
98.03659	1.4
98.06042	15.8
98.56274	0.7
98.97569	27.9
99.04439	4.7
100.84731	0.7
100.99120	1.6
101.00871	1.6
101.07164	0.9
102.05528	3.4
103.02423	0.9
104.10732	100.0
105.11057	0.9
109.02876	2.0
110.97531	1.7
112.99148	1.1
113.05986	13.6
116.98614	25.7
119.00169	1.2
119.01897	6.2
121.01649	2.7
121.03468	0.9
127.00663	0.8
127.03902	11.3
128.98598	2.1
130.04991	37.8
131.00162	2.5
131.01840	0.9
133.03424	3.2
134.99648	15.6
137.02916	1.1
141.05466	8.6
142.04988	7.9
143.00116	2.3
143.03682	0.9
144.98059	0.8
145.01717	3.3
145.03406	1.0
146.99619	1.6
147.03215	2.3
148.06082	1.0
149.01178	3.1
151.04489	1.4
152.10648	1.4
153.00665	2.4
153.01736	1.3
156.06567	1.2
159.06520	18.7
161.01204	4.6
161.02910	2.2
161.04851	3.0
163.02740	5.8
165.00693	2.8
165.04315	1.1
167.02257	0.9
168.03596	1.4
169.08621	2.1
169.13330	1.6
170.05130	0.9
170.11740	14.7
172.94312	2.2
173.01198	2.3
173.04805	0.9
175.05997	1.5
179.02254	2.1
181.03490	8.1
183.01756	1.6
183.06499	2.1
187.04425	0.8
187.08644	1.0
189.00696	2.3
190.95349	3.9
190.98625	2.2
191.02234	8.1
191.03998	1.3
191.05907	3.3
193.00140	1.5
198.11238	11.5
199.04491	3.6
201.07452	1.0
203.02217	1.3
207.01746	4.1
207.05302	1.4
208.96332	2.4
208.99704	2.3
209.03246	2.1
209.06876	1.3
214.95555	1.3
215.02162	1.6
215.03989	1.4
215.13887	15.3
216.06592	1.1
216.12280	46.9
217.12726	0.8
232.42592	0.8
232.96445	8.0
233.02975	3.9
233.05066	2.9
233.06956	1.3
233.10402	6.2
233.14931	31.4
250.93192	1.5
250.97429	4.2
251.02129	1.6
251.04431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
50.93229	1.0
51.53104	1.0
55.01867	2.8
70.11526	2.3
71.08627	42.6
72.04506	5.3
73.02921	6.1
74.02438	39.7
82.02938	34.9
83.01338	4.7
84.04491	2.7
85.02903	4.4
86.09695	4.9
88.11261	100.0
89.11586	1.2
93.22733	1.1
96.04520	1.3
96.09660	1.1
98.23090	2.6
99.05584	1.8
100.03975	5.8
101.02379	4.6
118.05011	11.6
119.03442	1.6
120.18793	1.1
128.03436	15.0
132.38486	1.1
141.13857	5.7
142.12300	5.6
146.04474	29.2
152.10600	1.4
169.13354	80.5
187.14453	2.3
198.11241	77.2
199.11597	1.5
215.13867	20.1
216.12299	56.5
233.14940	25.2
246.13422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75316	0.3
55.05560	1.7
57.03483	1.5
57.47547	0.3
67.05514	0.3
69.03469	0.5
69.07093	0.8
72.08182	0.7
76.38184	0.4
79.05490	1.7
81.03455	0.4
81.07053	5.8
91.05546	1.1
93.07084	0.6
94.04089	1.5
95.04977	0.6
95.08659	0.4
98.97643	0.6
99.08170	0.5
105.07052	1.3
106.96059	0.3
107.04956	0.5
107.08611	0.9
117.06994	0.8
118.06541	0.7
118.07328	0.3
119.03547	3.1
119.08558	0.8
120.08120	0.7
120.08919	0.4
121.10139	0.7
129.06990	0.8
131.04980	0.5
131.08548	0.6
132.08083	1.2
133.08846	1.1
135.08051	0.5
136.06174	100.0
137.00018	0.4
137.04617	2.3
137.06560	0.8
145.10129	0.4
146.05989	2.4
146.10573	0.4
147.11617	0.7
149.09535	0.7
150.09163	0.6
161.05940	0.7
161.08365	0.4
162.12726	0.4
164.07016	0.6
172.16878	0.7
175.07411	1.0
175.11072	0.4
175.14668	0.4
176.10640	0.7
177.11397	1.2
189.88278	0.4
190.08504	3.0
190.10757	1.1
190.12209	1.5
204.10062	0.4
214.08469	0.4
217.12119	0.6
223.08907	0.7
234.13275	52.7
234.18239	1.2
235.13423	1.3
235.16824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0963
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
55.05499	2.4
57.07068	2.2
69.07064	1.8
69.13012	9.3
74.17561	1.6
79.05477	1.7
81.07055	3.7
83.04976	3.7
83.46717	1.5
84.74141	1.3
86.72872	1.6
91.05489	3.6
93.07027	5.1
94.12196	1.6
95.04948	2.2
95.08601	2.7
103.05440	2.1
105.06999	9.2
107.08605	7.1
115.05429	20.1
116.06350	1.7
117.07018	6.4
119.08578	7.9
121.10155	3.0
121.36799	1.8
127.03262	1.6
128.06204	5.7
129.06992	12.0
131.08574	3.5
133.10133	6.6
135.08051	2.6
137.05991	5.7
137.09642	1.6
143.04890	14.0
144.05719	4.5
145.06493	5.6
145.10078	1.6
147.08031	4.8
147.11729	2.6
151.03918	3.5
155.06088	2.1
157.06483	12.7
157.10161	2.7
158.07314	2.3
160.05188	33.5
161.05992	4.7
161.09612	3.6
163.07484	3.0
172.05208	5.5
173.05983	2.5
174.06769	6.1
175.07529	100.0
175.14835	3.8
177.79886	1.5
187.07527	42.2
188.08253	2.6
189.09117	8.1
199.07596	1.9
209.10362	1.7
217.08656	5.0
217.15909	4.4
235.09596	9.4
235.13289	2.1
235.16890	18.9
251.17181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03940	1.9
55.01873	16.4
55.05507	9.4
57.03434	5.2
57.07066	6.4
57.90071	1.3
59.92216	1.2
65.03928	1.2
67.05502	20.1
69.03420	24.1
69.07047	6.3
69.48939	5.4
71.04994	11.4
73.02908	6.1
79.05490	29.3
81.03423	3.7
81.07049	26.0
83.04969	14.3
83.08636	1.4
83.75499	1.7
85.02897	12.7
87.04457	2.1
91.05473	44.8
93.07035	37.7
95.04347	2.1
95.04955	39.2
95.08600	19.8
97.02892	2.2
97.06510	7.0
98.22748	2.6
99.04459	4.6
99.08079	3.0
101.02378	13.2
103.05455	3.3
105.07022	47.1
107.04971	6.6
107.08585	47.7
109.02866	2.4
109.06498	13.2
109.10144	12.6
111.04450	6.4
111.08057	3.6
113.05943	1.8
115.03936	2.0
115.05460	5.1
116.06219	2.1
117.07011	15.7
119.03507	1.2
119.04925	2.9
119.08569	45.2
121.06474	10.1
121.10140	12.9
123.04427	3.7
123.08070	7.3
125.02409	1.4
125.05990	2.9
125.09616	9.1
127.03902	2.2
127.11183	2.8
128.06213	10.0
129.06990	25.5
130.07701	1.3
131.04924	3.1
131.08557	32.3
133.06485	9.8
133.10112	23.5
135.08038	18.0
135.11694	8.4
136.06174	22.6
137.04564	11.1
137.05798	5.4
137.06535	12.4
137.09590	3.5
139.07518	3.2
141.07002	3.0
142.07774	13.8
143.04987	1.5
143.08556	17.0
145.06459	7.3
145.10121	15.6
147.04410	3.9
147.08034	17.1
147.11668	22.0
149.05946	4.6
149.09598	16.4
149.13268	1.3
151.07582	2.6
153.05539	2.8
153.06958	2.1
153.09029	7.3
155.08536	3.8
155.10579	1.5
156.09328	8.8
157.06540	8.1
157.10103	32.6
158.10889	1.5
159.04428	1.4
159.08043	28.7
159.11700	4.8
160.08624	2.1
161.05910	7.8
161.09584	15.5
161.13237	10.9
162.06348	1.8
163.07498	4.8
163.11186	2.8
165.07338	2.8
166.07712	1.8
171.08038	4.3
171.11682	25.8
172.12062	1.7
173.05978	6.6
173.09607	6.0
173.13242	4.8
174.06747	3.0
175.07558	13.9
175.11169	84.8
175.14775	3.6
176.07893	2.0
176.11555	2.4
177.09055	6.9
177.12743	3.5
179.10626	4.1
181.10172	4.3
184.08842	2.7
185.06001	3.0
187.07387	1.6
189.09126	10.8
189.12723	57.5
189.16374	2.6
191.10699	2.6
193.12183	5.0
199.07413	2.4
199.11157	17.8
199.14697	2.6
207.13770	3.7
217.08749	3.8
217.12215	69.2
217.15836	6.9
218.12596	3.8
235.05980	3.1
235.09929	6.7
235.13362	100.0
235.16963	26.3
236.13319	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.01444	1.3
53.03928	4.6
55.01867	9.5
55.05505	14.7
57.03411	2.1
57.07053	5.8
59.26810	1.4
65.03934	2.3
65.95153	1.1
67.05496	21.4
69.03414	6.2
69.07056	12.4
71.04987	11.0
71.43583	1.6
72.47475	1.4
77.03920	3.4
79.05486	67.7
81.03405	4.3
81.07047	85.7
83.04977	16.3
83.08610	4.5
85.06546	6.3
91.05470	46.0
93.07036	60.1
95.04954	23.9
95.08601	16.5
97.06522	32.6
99.04434	4.8
101.06008	3.2
103.05439	4.1
105.04501	4.0
105.07016	73.8
106.07393	1.4
107.04935	13.5
107.08578	39.1
109.06505	49.4
109.10133	5.8
111.04423	3.1
111.08054	5.3
113.05987	5.1
115.05464	9.6
116.06179	2.5
117.07008	15.9
119.04916	3.9
119.07899	1.1
119.08562	51.5
121.06491	89.2
121.10100	10.3
123.04411	11.8
123.08057	10.3
125.06003	10.7
127.07548	26.2
128.06210	10.3
129.05501	1.9
129.06972	17.4
130.07755	1.4
131.08543	20.4
133.06464	12.3
133.10110	32.6
135.04395	4.8
135.08031	30.8
135.11670	4.0
137.05949	15.5
137.09586	5.3
139.07533	4.5
141.05452	2.4
141.06984	3.0
142.07750	15.9
143.04852	2.3
143.08553	33.0
145.06520	7.7
145.10107	17.3
147.08018	24.5
147.10587	2.1
147.11678	31.6
149.05920	1.9
149.09590	2.8
149.13261	1.6
151.07515	2.5
153.06958	2.4
155.08505	6.8
156.09341	14.4
157.06438	3.9
157.10100	39.9
159.08022	5.0
159.11685	7.2
160.05148	2.5
160.08836	3.0
161.05974	3.5
161.09608	9.8
161.13231	27.6
162.10405	2.0
163.07504	2.5
163.11145	2.4
165.06938	1.7
165.12672	3.9
166.07768	5.6
167.07033	1.7
171.11671	39.7
173.05942	1.7
173.09602	8.0
173.13226	5.5
174.10379	2.3
175.07520	11.2
175.11165	46.5
175.14749	6.6
177.12723	3.2
179.07108	1.6
179.10634	3.2
181.10086	8.8
184.08836	2.2
187.11201	1.9
189.09097	4.4
189.12721	51.3
189.16347	3.8
193.12227	2.4
199.11147	51.2
199.14818	4.9
207.10159	2.3
207.13637	1.5
217.08725	3.4
217.12216	100.0
217.15800	10.0
218.12439	3.0
235.07547	2.9
235.09506	3.4
235.13245	76.1
235.16817	29.4
235.20580	1.7
236.13309	1.7
236.16940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
50.22488	1.0
51.83110	1.1
53.03936	1.2
55.01855	2.1
55.05511	9.8
57.07069	2.7
59.04982	3.4
67.05493	11.4
69.03428	8.4
69.07064	9.6
69.59721	1.8
69.60088	3.4
71.04985	3.8
79.05491	11.6
81.03408	1.7
81.07056	19.6
83.04987	8.0
83.08622	2.1
84.31322	1.1
85.06529	3.5
91.05476	16.3
93.07037	17.6
94.26485	1.0
95.04969	10.4
95.08595	14.4
97.06517	7.5
97.10133	1.1
98.23394	1.8
99.08064	2.8
103.05457	1.5
105.07022	29.4
107.04955	3.9
107.08588	25.7
107.09303	0.6
109.02863	1.4
109.06513	6.6
109.10141	10.5
111.08092	1.6
113.06014	1.3
115.05472	2.9
117.06276	1.0
117.07009	5.5
119.04844	1.1
119.08573	34.3
119.09416	2.0
121.06478	5.2
121.10123	12.0
121.24152	1.1
122.07264	1.8
123.04413	3.5
123.08077	5.7
123.11713	1.3
125.06001	1.8
125.09638	2.5
128.06235	2.1
129.06993	5.8
131.04913	1.8
131.08559	8.6
133.06462	3.2
133.10126	31.2
135.08055	13.1
135.11668	4.5
137.05978	1.3
137.09601	15.5
139.03891	1.1
139.07495	1.2
139.11156	5.5
141.06956	1.5
142.07774	2.6
143.04903	1.8
143.08563	5.2
144.09309	1.9
145.06493	1.7
145.10098	7.7
147.08041	31.9
147.11670	16.9
149.09618	9.1
149.13220	2.4
151.07460	1.2
151.11165	3.7
156.09442	1.3
157.06464	2.0
157.10092	7.2
157.42134	1.0
159.08099	1.6
159.11673	13.0
160.05179	4.7
161.05952	2.9
161.09610	18.5
161.13223	5.5
162.10368	6.1
163.11182	4.9
165.09113	1.5
165.12708	1.1
167.10558	1.2
171.11719	6.1
173.05945	1.3
173.13235	7.5
175.07558	13.1
175.11185	10.3
175.14781	11.5
177.12741	3.6
179.10649	2.8
187.07574	4.2
187.11226	1.1
189.09068	2.0
189.12823	6.6
189.16374	8.9
191.14297	3.6
193.15770	1.4
199.14709	5.5
203.07027	2.1
205.15884	2.0
217.12247	3.2
217.15851	27.7
220.09615	1.2
235.09525	5.6
235.13545	5.1
235.16907	100.0
236.17249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
55.05504	8.7
57.07069	7.1
64.46384	1.8
67.05502	17.1
69.03424	3.4
69.07059	7.7
71.04968	1.9
71.08623	2.4
71.42418	2.1
71.46723	1.8
73.72079	1.5
79.05489	13.9
81.07059	17.0
81.28586	1.8
83.04971	2.5
83.08624	3.5
85.06561	3.1
91.05482	19.3
93.07040	22.5
95.04958	6.3
95.08603	8.3
97.06535	7.6
103.05474	3.1
105.07023	46.8
107.04956	4.2
107.08584	21.6
109.06500	6.9
109.10162	12.2
111.08036	2.2
115.05513	3.2
117.07000	8.7
119.08575	25.9
121.06497	26.7
121.10116	10.6
123.04427	3.8
123.08061	3.1
123.11713	3.0
128.06203	2.2
129.07004	5.6
129.81038	1.6
130.07799	2.7
131.08569	16.1
133.06491	3.6
133.10129	35.4
133.11133	2.4
135.08043	30.2
135.11674	6.6
137.09567	2.7
142.07771	9.9
143.08536	7.7
144.09314	3.8
145.06502	2.9
145.10123	21.5
146.07263	11.0
147.08052	19.7
147.11665	9.7
149.09608	23.7
149.13263	4.9
153.57716	2.0
155.08447	2.6
156.09338	6.4
157.10120	20.8
159.08002	3.4
159.11678	29.6
160.08849	7.0
161.09608	100.0
161.13249	6.5
163.11169	4.1
171.11691	12.7
172.66116	1.8
173.09615	2.5
173.13214	3.0
175.11172	76.0
175.14801	4.0
177.12730	92.8
178.13037	3.0
179.10667	3.0
182.91396	1.8
189.12766	10.3
189.16440	4.3
199.14824	7.8
217.12289	2.0
217.15862	32.5
235.11128	3.2
235.13225	5.2
235.16905	51.9
235.20543	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	236.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16867	0.3
57.17901	0.2
61.63750	0.2
70.67139	0.2
73.11166	0.2
133.01619	5.9
149.01106	100.0
150.01427	0.7
162.04272	24.2
176.05838	10.6
177.00626	1.0
177.06618	27.4
192.08963	8.4
236.07925	73.3
237.08275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25810	1.0
53.81826	1.2
55.01865	2.5
57.03435	7.9
65.03944	1.2
67.05489	2.4
70.79834	1.5
75.04459	2.5
79.05482	4.9
81.07045	1.1
90.96193	1.1
91.05476	12.9
93.07001	3.1
95.04975	4.2
95.08597	2.1
98.23079	1.3
102.04668	6.5
103.05455	54.4
105.03383	3.0
105.07014	10.4
107.04930	6.7
107.08567	2.1
109.06528	1.7
115.05424	3.4
115.69859	1.1
117.07036	2.0
119.04945	10.2
119.08604	1.1
121.02847	1.4
121.06493	2.5
123.04443	2.1
124.05229	3.2
125.09624	1.2
130.04124	15.5
131.04915	98.3
131.08568	2.3
132.05270	1.2
133.06447	7.7
135.04396	5.1
135.08099	2.0
137.05975	4.6
139.03915	4.5
141.06888	1.4
145.02960	1.7
145.06465	3.2
147.04417	5.7
147.08040	1.3
147.23343	1.3
148.05173	100.0
151.07547	4.7
153.01857	4.3
157.06517	1.3
160.05153	2.3
161.05959	13.0
162.06717	8.9
163.03893	13.8
163.07524	45.4
165.01843	1.3
165.05611	1.2
167.03430	3.4
173.09544	1.6
175.07536	4.4
177.25774	1.1
179.07040	1.3
180.07794	2.1
191.03360	20.7
191.06912	1.4
192.06596	2.6
195.02707	1.6
208.03458	1.3
209.04424	3.9
219.02866	6.1
219.10229	3.2
219.13693	1.7
233.69833	1.3
237.03842	7.7
237.14920	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03918	2.4
55.01869	2.7
55.05262	3.3
55.05510	48.4
57.03462	1.9
57.07065	2.4
67.05497	18.3
69.03415	7.6
69.07066	14.3
71.04973	5.0
79.05479	6.5
81.07047	22.2
83.04980	50.6
83.08618	58.7
85.10171	2.7
91.05452	7.6
93.07030	22.9
95.04955	16.5
95.08603	31.1
97.02893	2.4
97.06526	13.1
97.10134	2.4
105.06998	11.4
107.08595	35.5
109.06512	17.1
109.10149	41.5
111.04436	33.4
111.08057	10.4
111.98574	2.0
113.05994	3.7
113.09650	11.7
117.06947	3.0
118.06587	2.9
119.08577	12.1
119.87453	2.1
121.06506	31.6
121.10125	24.9
123.08042	6.7
123.11689	10.2
125.05993	6.8
125.09644	13.8
127.07510	5.9
127.11157	2.2
129.73882	2.1
131.08548	6.4
133.10107	16.8
135.08049	15.8
135.11688	7.3
136.08826	55.7
137.09627	36.5
139.07571	10.8
145.10129	3.6
149.13254	29.7
151.11162	3.8
151.14737	2.1
153.09093	14.5
155.04559	1.9
159.08069	2.6
159.11678	20.9
160.11992	2.2
161.09610	24.3
161.13190	1.9
167.14261	5.8
173.13275	4.6
177.12729	27.5
179.10655	100.0
192.06564	3.2
195.12065	4.3
195.13792	59.4
201.12679	4.5
219.13782	6.6
219.17473	3.6
237.14810	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03933	3.0
55.01867	13.5
55.05510	22.9
55.39580	1.5
55.45713	1.4
57.03431	16.6
57.07063	1.5
64.50145	1.5
65.03935	2.0
66.09687	1.6
67.05499	46.0
67.23372	1.5
69.03413	6.1
69.07064	25.6
70.94527	1.7
71.04995	13.3
73.02908	2.3
77.03921	2.9
79.05489	37.6
79.37876	1.6
81.03409	8.3
81.06625	2.8
81.07059	34.2
83.04974	12.4
83.08617	6.2
84.08140	3.2
85.02898	30.7
85.06538	3.8
85.41626	1.5
87.04465	19.0
91.05478	34.7
93.06447	2.5
93.07040	50.9
95.04965	12.4
95.08604	100.0
97.02901	5.0
97.06547	12.3
99.04453	21.5
101.02377	6.1
103.05466	3.6
105.04428	1.7
105.07023	28.0
107.04960	11.9
107.08595	24.7
109.02882	4.3
109.06506	10.9
109.10141	32.7
109.20745	1.5
111.04410	11.0
111.08062	4.0
113.06030	3.1
115.03944	7.5
115.05454	2.2
117.07009	21.6
119.08588	23.5
121.06490	19.1
121.10126	15.3
123.08078	8.2
123.11732	5.6
125.02326	3.2
125.05993	7.8
127.03912	10.3
128.06076	2.1
129.06982	4.1
131.04881	3.4
131.08553	24.5
133.06538	1.9
133.10158	13.5
135.04395	2.3
135.08054	18.4
135.11708	7.5
137.05965	7.3
137.09602	12.7
139.07542	3.8
139.11150	3.2
141.05450	2.4
141.06921	1.8
143.08568	2.2
145.06403	3.5
145.10112	13.3
147.08064	3.1
147.11676	5.5
148.05208	1.6
149.05989	4.5
149.09607	9.4
149.13237	4.5
151.06480	1.5
151.07483	9.4
151.11192	4.0
153.09081	2.1
155.08557	5.8
157.10167	9.1
159.08073	3.8
159.11678	31.6
161.09648	4.2
163.03909	3.0
163.07536	10.5
163.11157	6.3
163.14865	2.7
167.07033	2.8
173.13245	19.5
175.11153	3.1
177.09103	4.9
177.12738	20.9
179.10767	1.7
180.13759	1.8
183.11722	10.7
191.03407	4.0
191.06998	3.8
191.14297	29.1
193.12282	2.1
195.13745	4.0
201.12764	20.3
209.15398	2.9
219.13788	44.4
219.17160	3.1
228.11517	1.7
237.12689	2.1
237.14821	49.9
237.16965	2.9
237.18571	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	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03936	2.8
55.01868	23.8
55.05505	23.8
57.03420	6.6
57.07069	7.0
59.04997	2.2
65.03958	2.8
67.05161	2.3
67.05501	38.8
69.03426	15.4
69.07063	23.0
71.04990	31.1
73.02903	9.2
73.06566	1.8
77.03902	2.6
79.05482	43.3
81.03397	7.1
81.07052	75.7
83.04968	15.6
83.08604	9.5
83.16154	1.6
85.02892	22.7
85.06536	8.2
87.04459	12.0
90.53337	1.6
91.05469	39.2
93.07036	76.2
94.07376	1.9
95.01340	2.5
95.04963	21.1
95.08601	45.4
97.02891	3.8
97.06511	11.4
97.10185	2.9
99.04467	5.9
99.08057	11.2
101.02374	19.8
103.05481	3.3
105.07015	40.2
107.04245	3.1
107.04947	46.2
107.07850	2.6
107.08581	53.6
109.06497	22.8
109.10149	23.1
111.04423	12.5
111.08067	8.1
113.02348	4.9
113.05985	3.6
115.05423	3.3
117.07018	24.0
119.08561	25.1
121.06499	30.3
121.10128	33.3
123.08047	11.6
123.11703	13.6
125.02324	5.4
125.05995	7.7
125.09615	6.7
127.07571	5.1
127.11175	20.2
129.06999	6.6
131.04939	2.4
131.08540	31.2
133.06488	4.0
133.10126	35.1
134.43216	1.7
135.08043	34.8
135.11659	11.3
137.05983	6.2
137.09564	12.7
137.13271	4.4
139.07504	4.7
139.11177	7.5
141.06937	2.9
142.07805	2.3
143.08524	2.8
143.10684	3.9
144.09280	3.1
145.06476	3.3
145.10118	20.5
146.10405	1.8
147.08023	3.5
147.11650	16.8
149.05937	9.7
149.09584	19.3
149.13269	9.4
151.07544	14.4
151.11177	42.3
151.12415	2.9
153.01736	2.1
153.09073	3.4
155.08574	3.9
155.10646	6.7
157.10153	7.6
159.08073	5.0
159.11699	34.1
161.09650	4.7
161.13263	3.8
163.03827	2.1
163.07549	16.1
163.11203	11.2
163.14876	5.0
165.09155	2.9
165.12802	2.3
167.07051	7.6
173.09666	3.1
173.13258	14.8
175.11189	6.2
175.14796	3.4
177.09102	7.8
177.12730	81.6
181.08664	2.1
183.11694	6.1
191.03392	3.7
191.07057	5.2
191.10666	3.1
191.14282	60.1
191.15941	3.4
191.17944	2.3
195.13774	3.7
201.12724	13.7
201.16357	6.6
209.04565	2.1
209.13527	1.7
209.15323	7.2
219.10239	7.1
219.13782	100.0
219.17123	12.4
220.14095	3.1
237.03938	2.5
237.09245	2.6
237.12979	5.8
237.14862	74.8
237.18355	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03934	3.4
55.01830	2.5
55.05503	10.0
57.03431	3.0
57.07069	5.0
59.04987	5.5
65.03920	2.5
67.05502	19.8
69.03429	19.4
69.07066	15.4
69.36989	9.6
71.04987	33.6
78.97675	2.1
79.05489	22.3
81.07050	100.0
83.04979	3.8
83.08620	3.9
83.79707	2.0
85.06519	4.5
91.05479	12.7
93.07026	23.7
95.04951	8.3
95.08595	22.9
97.06519	10.2
99.08093	38.8
105.07014	30.6
107.08579	31.8
109.06517	17.2
109.10140	32.1
111.08054	3.3
115.05392	2.3
117.06980	4.0
119.08595	13.3
121.06472	3.5
121.10139	16.7
123.08051	7.7
123.11699	13.9
125.09595	9.6
127.07571	17.3
127.11195	27.7
131.08566	10.0
133.10110	42.8
135.08037	3.8
135.11697	10.9
139.11206	2.8
143.10663	8.1
145.10110	15.7
147.11676	8.8
149.13249	5.9
151.11162	46.2
155.10640	9.5
159.11713	12.4
161.13257	8.3
163.11110	3.2
169.12198	6.0
173.13168	3.2
177.12674	4.3
177.16365	2.9
191.03314	3.4
201.16386	7.9
219.13782	2.9
219.17470	12.3
237.08948	4.1
237.11076	3.4
237.14726	3.4
237.18468	13.6
237.21460	3.1
245.98888	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03959	3.3
55.01863	3.3
55.05508	12.3
57.03455	3.6
57.07069	3.6
59.04993	6.2
67.05499	20.5
69.03423	20.7
69.07065	11.5
70.67798	2.0
70.68114	2.2
71.04988	35.4
79.05486	28.2
81.07052	100.0
83.04965	2.9
83.08610	4.7
85.06542	5.0
91.05475	11.0
93.07040	29.0
95.04982	9.7
95.08591	19.5
97.06518	10.0
97.10162	3.5
99.08089	48.4
105.07032	31.1
107.08590	28.3
109.06521	20.9
109.10145	32.2
111.08083	3.7
113.09650	2.1
117.07029	2.1
119.08558	14.9
121.06513	2.2
121.10163	16.3
123.08060	6.4
123.11707	12.1
125.09633	9.0
127.07538	24.2
127.10353	2.9
127.11189	32.1
127.12080	2.8
131.08551	6.1
133.10126	44.0
135.08118	1.7
135.11700	8.3
135.12596	2.0
137.09584	2.3
137.68436	1.4
139.11186	6.3
143.10669	5.7
145.10101	14.1
147.11682	10.4
149.09621	1.8
149.13246	8.5
151.11172	52.0
155.10652	12.9
156.13805	2.6
159.11694	10.8
161.13249	6.9
163.11157	3.0
165.12753	3.2
169.12268	4.4
173.13220	1.7
175.14793	3.3
177.12750	2.4
177.16362	2.6
191.17897	2.4
201.16504	7.7
219.13824	2.3
219.17407	13.9
237.14706	1.7
237.18466	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01855	5.4
55.05505	17.8
57.03429	3.5
57.07064	6.9
59.04999	6.9
61.48129	2.3
67.05497	28.4
69.03424	23.0
69.07066	13.4
71.04985	36.4
75.48212	2.4
77.03897	2.5
77.63456	2.4
79.05475	28.4
79.51746	2.3
80.31198	2.3
81.03422	2.6
81.06564	5.2
81.07047	100.0
83.04979	11.2
83.08613	2.9
85.06532	6.4
91.05477	15.7
93.07035	33.3
95.04973	13.1
95.08600	25.3
97.06528	8.5
97.10172	5.6
99.08083	41.6
105.07014	37.8
107.08594	35.5
109.06511	23.5
109.10143	41.7
111.08052	5.1
117.07002	6.1
119.08588	15.6
121.06516	3.4
121.10120	25.0
123.08036	8.3
123.11677	17.9
125.09624	8.0
125.87437	2.3
127.07561	18.8
127.11179	37.8
129.06975	4.0
131.07758	2.6
131.08589	11.1
133.10117	52.0
135.08012	5.0
135.11670	11.8
137.09630	4.7
139.11189	9.7
143.10669	10.1
145.10118	23.6
147.11655	13.8
149.09612	5.2
149.13245	14.4
151.11172	55.3
155.10628	15.0
159.07874	2.7
159.11649	14.2
161.13239	11.0
163.07491	2.8
163.11166	3.2
165.12735	4.2
169.12215	4.1
173.13289	2.5
174.06741	3.2
177.12830	2.8
177.16460	2.6
189.09038	3.5
191.03436	2.9
191.17982	4.0
201.16379	11.0
219.10147	7.6
219.17320	14.2
237.14792	4.7
237.18445	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03931	3.5
55.01861	6.2
55.05506	20.9
57.03430	6.5
57.07063	4.6
59.04992	5.6
65.03929	1.9
66.12301	1.9
67.05500	35.3
69.03412	9.9
69.07055	28.3
70.78172	2.4
71.04984	37.9
71.08618	2.6
71.41338	2.1
73.31780	2.0
75.31019	1.9
75.76756	2.1
79.05486	26.9
81.07047	68.9
83.04977	14.0
83.08609	9.5
84.08131	3.0
85.02902	5.0
85.06540	7.9
87.04469	5.8
91.05468	30.7
93.07034	56.6
93.07600	3.8
95.04959	100.0
95.08594	58.2
97.06509	24.1
97.10165	6.0
99.04451	6.1
99.08094	9.5
101.06010	2.5
103.05469	5.7
105.07023	58.5
107.04954	6.0
107.08585	65.2
109.06511	14.9
109.10141	41.7
111.04444	4.7
111.08096	7.3
113.06022	4.1
117.07001	10.8
119.08561	27.8
121.06509	9.4
121.10130	39.9
123.08061	16.4
123.11699	17.8
125.06030	3.6
125.09622	9.9
127.07568	4.8
127.11168	11.6
129.07030	2.2
130.07802	2.6
131.04938	10.8
131.08553	19.7
133.10118	74.0
135.04468	2.6
135.08034	17.5
135.11690	27.8
137.09598	11.7
137.13257	4.9
139.07532	2.5
139.11136	10.1
143.10715	2.9
144.09335	4.3
145.10120	25.8
147.11668	16.5
149.02367	5.9
149.09642	7.7
149.13248	29.0
151.11174	43.8
153.12711	3.2
155.10701	3.1
157.10146	4.1
159.11681	29.4
161.09662	2.7
161.13280	9.6
163.03888	7.3
163.07545	10.9
163.11137	11.6
163.14873	2.6
165.12788	3.6
173.13286	8.9
174.66010	2.2
175.14853	6.4
177.12752	9.5
177.16379	5.9
179.14212	2.4
189.16408	5.4
191.03421	13.7
191.07025	10.3
191.14320	7.3
191.17944	9.2
192.77911	2.1
201.12772	4.2
201.16335	17.0
207.17389	3.6
209.04401	3.9
219.02832	5.3
219.10201	5.0
219.13835	16.3
219.17384	29.6
226.38974	2.1
229.62587	2.1
237.03906	3.7
237.07323	2.8
237.11168	4.6
237.14885	23.4
237.18434	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	237.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96777	0.2
55.01864	0.9
55.05506	1.4
56.05021	0.4
57.03423	0.4
57.07064	0.4
62.98681	0.2
67.05504	2.0
69.03413	0.3
69.07056	0.9
69.52315	1.0
70.06590	2.1
71.04983	0.8
72.08146	3.9
79.05465	2.1
81.03415	0.6
81.07049	3.0
82.06580	0.8
83.04951	0.6
84.08133	100.0
85.08471	0.8
91.05470	2.9
93.07034	2.1
95.04948	0.9
95.08595	1.3
97.02871	1.1
97.06523	0.7
98.06041	0.6
98.09673	0.9
98.23467	0.5
100.07623	0.9
105.07044	1.7
107.04905	0.6
107.08592	1.3
108.08065	0.3
109.06503	0.7
109.10164	0.8
111.08074	0.4
114.05602	0.3
117.07014	0.6
119.08570	0.6
120.08100	1.1
121.06497	0.7
121.10130	1.9
123.08087	0.5
123.10488	0.2
123.11636	0.3
124.11218	0.7
126.12761	0.3
131.04924	0.5
131.08560	0.9
133.10130	0.6
135.08023	0.7
135.11684	0.6
136.07458	0.3
137.06003	0.4
138.12764	0.4
141.13860	1.8
145.06509	0.3
145.10139	0.8
146.06003	0.4
147.08093	0.3
149.06003	0.3
149.09610	0.7
149.13257	0.3
151.11125	1.8
152.06985	0.2
152.14337	2.3
159.11694	1.1
162.12718	0.5
163.03885	1.0
163.07516	0.6
163.11176	0.4
168.13853	0.4
173.09795	0.3
173.13223	0.3
175.11012	0.3
176.14366	1.1
177.09135	0.4
177.12747	0.4
180.13808	61.7
181.14156	1.0
191.03323	1.4
191.14304	0.4
192.06508	0.5
193.08609	0.4
194.15381	1.4
201.12738	0.3
206.15491	0.4
219.02902	0.6
219.06630	0.3
219.10092	0.3
219.13683	0.5
219.18671	1.8
237.03967	0.7
237.09273	0.4
237.12915	0.4
237.14890	0.8
237.19623	9.4
255.01588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	100.0
59.62616	18.5
62.85633	19.0
69.75893	63.6
69.76223	20.1
80.89606	16.7
98.97559	94.6
103.05451	21.9
103.80814	18.3
106.85036	18.0
116.98593	46.1
119.01917	50.1
131.04889	55.8
142.04961	22.8
147.06331	60.2
159.04434	22.0
161.01114	22.8
172.95157	20.3
175.03824	26.4
176.02162	23.4
177.05499	37.9
189.04309	53.2
203.03314	33.8
207.05420	37.2
221.04384	35.6
232.96384	20.9
233.03241	25.6
238.04668	57.6
239.06784	31.7
239.08937	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	238.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42212	1.6
56.96553	6.5
57.03433	6.0
58.02950	2.1
69.03407	2.9
71.04995	10.4
81.03413	7.6
85.02889	2.9
87.00818	46.2
87.01324	3.5
89.06013	13.8
98.97581	3.8
99.04439	25.4
103.05431	4.5
105.01861	19.4
107.04931	3.8
113.02345	2.7
116.98636	2.2
117.05489	13.4
118.05006	1.9
119.01877	6.3
127.24729	1.8
130.49324	1.8
131.04907	10.9
134.99684	1.8
140.03264	2.1
142.01775	2.9
142.05069	1.6
147.04378	4.4
149.05977	4.3
151.00902	2.3
157.04982	4.0
159.04395	4.4
160.02831	2.6
161.04471	2.4
161.34726	1.8
163.05957	1.6
164.04189	1.8
166.03609	1.9
166.21442	1.6
172.95216	3.9
175.03925	5.2
175.06055	6.7
177.05463	14.9
189.04166	3.4
190.96358	2.3
193.04938	3.6
203.03502	8.8
203.05463	100.0
206.79538	1.8
221.04434	13.5
233.38092	1.9
238.07237	3.8
238.10707	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	238.1801
Annotation	Piroctone
Peak:m/z	Relative Intensity
55.05293	0.4
55.05510	4.3
57.03434	4.1
57.07056	0.7
65.33594	0.5
67.05497	8.2
69.07064	3.0
69.98151	0.5
71.04987	0.7
71.42404	0.5
71.42828	0.5
72.62450	0.5
79.05486	3.4
80.94830	0.9
81.07057	7.1
81.98619	0.5
82.06585	1.0
83.04981	1.2
83.08613	0.9
85.05282	1.4
85.06531	0.6
87.72273	0.5
91.05471	2.4
93.07019	4.0
95.08588	2.3
96.08122	1.4
98.06042	7.3
105.07009	2.0
107.08579	1.3
108.08092	0.8
109.10139	0.6
112.07590	1.2
117.06982	1.5
122.09580	0.6
131.08588	2.6
133.10158	0.6
135.11617	0.6
138.12785	0.9
148.11192	2.2
159.11655	2.2
164.10715	0.5
174.12744	0.6
176.14319	1.5
181.06239	0.5
182.15417	0.8
210.18481	5.3
220.16861	0.7
238.17992	100.0
239.08916	4.7
239.18146	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	239.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.07084	0.7
62.92849	0.4
65.47533	0.5
71.32238	0.6
76.27405	0.5
77.03919	0.8
79.05487	1.5
81.07045	1.5
91.05502	2.3
93.07014	0.7
95.04958	2.3
97.10831	0.5
103.05459	35.4
104.05788	0.7
105.04501	0.7
107.04942	11.9
119.04923	3.3
120.62504	0.4
121.02884	1.1
121.06492	3.5
123.04438	2.7
129.03351	1.2
131.04918	71.2
132.05222	1.1
133.02876	0.6
135.04425	2.7
141.03336	1.1
147.04393	23.9
149.05969	29.0
151.03943	0.9
157.02800	0.8
159.04401	26.6
160.05186	0.6
165.05450	1.3
175.03897	35.3
176.04584	2.8
177.05457	100.0
178.05753	1.8
179.03372	1.7
181.81761	0.4
185.02365	0.9
187.04999	4.6
188.14793	0.5
193.04953	18.6
203.03375	47.5
204.03749	0.9
221.04437	59.3
222.04793	1.3
226.83723	0.5
238.19931	0.7
239.05476	6.9
239.08838	7.5
239.11076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.6
53.77110	0.5
54.25806	0.6
55.01866	1.1
62.58529	0.6
68.99766	1.0
69.07051	0.8
79.05486	1.7
80.21280	0.6
81.07033	1.6
81.77387	0.6
87.81239	0.6
91.05473	2.7
93.07066	1.5
95.04968	2.6
95.08626	0.7
98.22661	1.6
103.05458	41.3
104.05770	0.7
107.04941	12.3
118.74076	0.7
119.04948	3.7
121.02827	1.3
121.06529	3.7
123.04423	3.4
129.03365	1.5
131.04918	77.2
132.05272	1.1
135.04385	2.7
141.03334	0.9
147.04404	26.1
149.05969	31.9
151.03928	1.2
157.02876	1.1
159.04398	27.6
159.05719	1.4
160.04987	0.7
165.05415	2.3
175.03894	37.2
176.04610	2.5
177.05457	100.0
178.05933	1.5
179.03349	1.2
185.02333	0.7
187.04977	5.2
193.04951	15.7
203.03368	45.3
204.03807	1.0
221.04427	58.8
222.04716	0.6
239.05481	6.0
239.08817	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	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60670	0.9
55.01863	4.4
55.49658	0.9
57.03436	5.0
57.07061	1.7
65.03951	1.5
67.05489	2.6
71.04971	0.9
77.03915	1.7
78.04701	2.8
79.05480	13.8
81.07045	2.3
82.57208	0.9
85.06532	1.0
89.06030	2.1
91.05474	27.8
93.07037	4.1
94.04174	1.3
95.04965	6.3
95.08604	3.0
103.05456	26.2
103.89851	1.1
104.06225	4.8
105.03349	1.1
105.04509	1.1
105.07022	41.3
106.04191	5.1
106.07372	1.4
107.04945	72.2
107.08572	2.2
109.06517	4.0
109.10143	1.7
113.03453	3.7
115.05447	16.4
116.06213	2.9
117.07014	20.2
119.04944	5.0
119.06106	1.4
119.08572	3.0
120.05734	2.4
121.06493	20.3
122.03637	4.2
122.07291	1.6
123.04424	10.0
123.08069	1.2
123.11691	1.2
124.05201	4.4
128.06233	6.4
129.06970	2.9
130.07704	1.0
131.04942	8.6
131.08556	2.7
132.05698	8.5
133.06474	32.2
133.10110	1.8
135.04399	22.9
135.08037	21.9
136.05186	17.8
137.05965	83.4
137.30289	1.1
138.06747	19.0
143.08527	5.7
144.05659	2.8
145.06477	8.9
145.07530	2.1
145.10104	2.1
146.07207	5.5
147.04402	2.5
147.08055	11.6
148.05185	1.7
148.08780	8.6
149.05978	12.3
149.09607	4.1
150.06789	4.6
151.07529	6.9
158.07265	2.2
159.04413	2.3
159.08020	3.4
160.05188	4.0
160.08810	3.1
161.05956	4.7
161.09595	10.1
162.06738	9.7
163.07524	100.0
164.08279	6.5
165.09102	28.4
165.10419	2.0
167.07005	2.4
171.08051	4.3
172.08768	1.4
173.05904	1.3
173.09618	1.7
175.07527	85.5
175.11089	10.9
176.07915	2.6
177.09071	4.5
178.47729	1.0
179.07024	10.7
180.07794	20.6
181.08594	14.0
182.09364	23.7
183.02643	1.0
187.07578	1.2
188.08287	3.3
189.09125	3.0
191.10669	6.7
193.04895	1.3
193.08574	18.4
193.12201	1.2
194.09245	2.7
203.10649	21.1
209.11717	12.9
211.07655	0.9
221.11664	7.1
224.10405	14.0
239.08842	28.7
239.12447	4.8
239.16106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01862	4.2
55.05496	2.0
57.03429	6.4
65.03928	2.8
67.05499	2.7
69.07065	1.0
71.04988	1.6
75.65730	1.0
76.41298	1.1
78.04712	3.2
79.05488	15.6
81.07034	2.6
91.04932	2.2
91.05466	27.4
92.05767	1.0
93.07035	4.7
94.04185	1.2
95.04942	6.9
95.08618	2.3
103.05453	24.6
103.06107	1.9
104.06238	4.7
105.03401	1.7
105.04494	2.6
105.07021	39.8
105.07732	2.0
106.04169	6.0
106.69180	1.2
107.04943	73.5
107.08572	1.8
108.20903	1.1
108.70466	1.2
109.06494	3.4
113.03500	2.5
115.05446	20.0
116.06239	2.3
117.07008	21.7
119.04914	4.3
119.08571	5.4
120.05701	2.4
121.06490	22.5
122.03619	7.0
122.07263	2.2
123.04404	12.6
123.07976	1.3
124.05199	5.8
128.06180	7.0
129.07007	3.2
130.07787	1.3
131.04921	13.6
131.08510	2.3
132.05714	7.8
133.06479	31.6
133.07515	1.7
133.10132	2.2
135.04402	23.6
135.08038	19.6
136.05186	16.3
137.05956	85.6
138.06755	20.5
143.08539	4.5
144.05704	1.6
145.06465	9.0
145.07610	2.8
145.10144	2.9
146.07248	4.2
147.04378	1.9
147.08025	13.3
148.05235	2.2
148.08824	7.0
149.05956	11.6
149.09615	2.8
150.06755	6.5
151.07567	7.7
158.07298	1.8
159.04442	2.6
159.08026	3.4
160.05196	4.7
160.08795	2.5
161.05956	5.1
161.09579	9.0
162.06758	8.1
163.07521	100.0
164.08282	7.1
165.09090	30.5
167.07031	2.6
171.08044	3.1
172.08824	3.1
173.05951	1.6
173.09612	1.6
174.06764	1.5
175.07524	80.9
175.11111	14.6
177.09067	5.4
179.06967	9.6
180.07800	20.2
181.08589	15.9
182.09355	24.4
182.10826	2.0
188.08354	2.2
189.08994	2.8
191.10629	6.8
193.08575	16.3
193.12189	1.3
194.09323	2.5
203.10645	21.8
204.10991	1.4
209.11702	14.9
210.35895	1.2
221.11613	7.3
224.10402	15.2
239.08815	28.0
239.12766	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.03941	3.3
55.01867	20.4
55.05256	3.7
55.05507	52.5
55.25986	2.1
55.50684	2.1
57.03434	21.6
57.07087	15.6
59.04993	2.0
65.03917	4.5
67.05499	76.4
69.03431	5.4
69.07063	100.0
69.21237	7.3
69.21645	5.0
71.01382	2.5
71.04987	15.2
71.08616	5.3
73.02917	4.8
79.05487	49.8
81.03409	13.9
81.07052	72.0
83.04972	25.5
83.08612	19.9
83.75529	2.1
85.02902	42.9
85.06539	9.8
87.04462	20.7
89.99636	2.0
91.05473	57.4
93.07035	58.7
95.01317	28.4
95.04962	38.3
95.08598	71.7
97.02890	4.4
97.06534	25.4
97.10167	11.5
98.64906	2.1
99.04446	28.5
99.08093	3.7
101.02381	14.4
101.06003	3.8
105.07025	53.9
105.07732	2.9
107.04942	6.4
107.08575	27.0
109.02886	2.4
109.06516	28.4
109.10150	30.4
111.04430	23.8
111.08063	4.2
111.11712	8.7
113.02370	10.7
113.05988	5.9
113.09681	2.4
115.03923	9.7
117.07011	8.2
119.08569	72.7
121.06493	7.7
121.10130	28.9
123.04410	22.3
123.08057	17.7
123.11691	10.5
125.05975	9.7
125.09633	6.5
127.03892	11.4
129.06987	4.6
131.08527	13.5
133.06479	13.5
133.10118	36.6
135.08061	9.9
135.11650	14.2
137.05983	13.4
137.09593	17.9
139.07573	4.2
139.11163	15.0
141.05498	4.7
143.08553	6.4
145.10069	3.3
147.08005	12.1
147.11729	12.2
147.12776	2.5
149.09618	3.2
149.13255	4.5
151.07521	14.0
153.09035	3.6
153.12794	5.0
155.10623	2.7
157.10130	3.6
159.11673	9.4
161.09621	8.3
161.13245	48.2
165.09064	12.9
165.12836	2.3
175.11215	2.3
175.14803	46.4
177.12700	4.5
179.10693	6.1
179.14287	30.4
185.13260	11.0
193.12204	2.1
193.15881	19.0
197.13257	2.9
197.15201	2.2
203.14297	24.2
221.15359	45.0
239.08775	20.2
239.14108	4.5
239.16324	44.3
239.18413	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	239.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01867	20.4
55.05256	3.7
55.05507	52.5
55.25986	2.1
55.50684	2.1
57.03434	21.6
57.07087	15.6
59.04993	2.0
65.03917	4.5
67.05499	76.4
69.03431	5.4
69.07063	100.0
69.21237	7.3
69.21645	5.0
71.01382	2.5
71.04987	15.2
71.08616	5.3
73.02917	4.8
79.05487	49.8
81.03409	13.9
81.07052	72.0
83.04972	25.5
83.08612	19.9
83.75529	2.1
85.02902	42.9
85.06539	9.8
87.04462	20.7
89.99636	2.0
91.05473	57.4
93.07035	58.7
95.01317	28.4
95.04962	38.3
95.08598	71.7
97.02890	4.4
97.06534	25.4
97.10167	11.5
98.64906	2.1
99.04446	28.5
99.08093	3.7
101.02381	14.4
101.06003	3.8
105.07025	53.9
105.07732	2.9
107.04942	6.4
107.08575	27.0
109.02886	2.4
109.06516	28.4
109.10150	30.4
111.04430	23.8
111.08063	4.2
111.11712	8.7
113.02370	10.7
113.05988	5.9
113.09681	2.4
115.03923	9.7
117.07011	8.2
119.08569	72.7
121.06493	7.7
121.10130	28.9
123.04410	22.3
123.08057	17.7
123.11691	10.5
125.05975	9.7
125.09633	6.5
127.03892	11.4
129.06987	4.6
131.08527	13.5
133.06479	13.5
133.10118	36.6
135.08061	9.9
135.11650	14.2
137.05983	13.4
137.09593	17.9
139.07573	4.2
139.11163	15.0
141.05498	4.7
143.08553	6.4
145.10069	3.3
147.08005	12.1
147.11729	12.2
147.12776	2.5
149.09618	3.2
149.13255	4.5
151.07521	14.0
153.09035	3.6
153.12794	5.0
155.10623	2.7
157.10130	3.6
159.11673	9.4
161.09621	8.3
161.13245	48.2
165.09064	12.9
165.12836	2.3
175.11215	2.3
175.14803	46.4
177.12700	4.5
179.10693	6.1
179.14287	30.4
185.13260	11.0
193.12204	2.1
193.15881	19.0
197.13257	2.9
197.15201	2.2
203.14297	24.2
221.15359	45.0
239.08775	20.2
239.14108	4.5
239.16324	44.3
239.18413	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	239.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05505	32.1
57.03418	4.8
57.07066	21.9
59.04991	29.1
66.43051	2.1
67.05495	19.3
69.03416	2.7
69.07060	36.6
71.04977	7.8
71.08611	5.2
71.42702	3.6
76.69182	2.2
79.05487	14.7
81.07046	87.1
83.04954	4.7
83.08613	21.5
85.06510	11.0
91.05465	11.2
93.07033	31.2
95.04949	5.7
95.08596	100.0
97.06517	9.8
97.10162	17.5
99.08078	5.7
105.07021	16.8
107.08577	38.7
109.06489	5.7
109.10139	39.7
111.08061	11.7
111.11694	12.6
115.07581	4.2
119.08546	25.1
121.10126	36.2
123.08071	5.6
123.11675	33.6
125.09607	12.3
133.10106	29.6
135.11682	34.9
137.09622	3.0
137.13246	88.1
137.14313	4.5
139.11157	22.2
141.09138	3.2
143.10655	10.5
147.11681	24.7
149.13220	17.9
151.11142	9.9
157.12213	4.7
161.13271	15.1
163.14804	34.6
165.12778	7.7
169.10056	4.9
175.14850	4.1
177.16385	9.8
179.14278	3.3
181.10114	2.5
183.11708	4.2
193.19527	3.1
196.12480	2.9
203.17924	61.7
209.57277	2.4
221.15657	2.4
221.18979	63.3
221.21170	3.3
239.08806	12.0
239.14302	5.5
239.17842	9.0
239.20045	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	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01862	3.1
55.05505	32.1
57.03418	4.8
57.07066	21.9
59.04991	29.1
66.43051	2.1
67.05495	19.3
69.03416	2.7
69.07060	36.6
71.04977	7.8
71.08611	5.2
71.42702	3.6
76.69182	2.2
79.05487	14.7
81.07046	87.1
83.04954	4.7
83.08613	21.5
85.06510	11.0
91.05465	11.2
93.07033	31.2
95.04949	5.7
95.08596	100.0
97.06517	9.8
97.10162	17.5
99.08078	5.7
105.07021	16.8
107.08577	38.7
109.06489	5.7
109.10139	39.7
111.08061	11.7
111.11694	12.6
115.07581	4.2
119.08546	25.1
121.10126	36.2
123.08071	5.6
123.11675	33.6
125.09607	12.3
133.10106	29.6
135.11682	34.9
137.09622	3.0
137.13246	88.1
137.14313	4.5
139.11157	22.2
141.09138	3.2
143.10655	10.5
147.11681	24.7
149.13220	17.9
151.11142	9.9
157.12213	4.7
161.13271	15.1
163.14804	34.6
165.12778	7.7
169.10056	4.9
175.14850	4.1
177.16385	9.8
179.14278	3.3
181.10114	2.5
183.11708	4.2
193.19527	3.1
196.12480	2.9
203.17924	61.7
209.57277	2.4
221.15657	2.4
221.18979	63.3
221.21170	3.3
239.08806	12.0
239.14302	5.5
239.17842	9.0
239.20045	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	240.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.6
57.07064	0.3
67.05489	0.8
67.69013	0.2
69.03444	0.2
69.07059	0.6
70.06575	0.6
70.70992	0.3
72.04508	0.9
74.06051	0.6
74.95033	0.2
79.05474	0.6
81.07051	2.0
82.06561	0.5
88.84248	0.2
89.45956	0.3
91.05471	0.5
93.07047	1.3
93.48632	0.2
94.06561	0.5
95.08595	1.2
96.08114	0.5
100.07596	0.3
105.07027	0.3
107.07287	0.2
107.08564	0.8
108.08094	0.8
109.08875	0.4
110.09683	0.3
112.07577	0.4
114.09145	0.5
120.08988	0.2
121.10178	0.3
122.09624	1.3
123.08067	0.3
123.10416	0.4
124.07568	4.4
126.09119	0.6
128.10683	0.5
135.11693	0.5
136.11218	2.0
137.13234	0.7
138.09113	1.0
139.09891	1.3
140.10661	0.7
142.12224	1.3
150.12753	1.1
151.13570	0.6
152.10643	2.4
152.14281	0.2
153.11456	0.8
154.12282	1.5
166.08667	0.3
166.12263	4.3
167.13078	2.3
168.13829	1.0
178.15881	0.5
194.15375	1.9
196.16943	100.0
197.17296	1.9
198.18558	1.6
211.81633	0.2
240.19551	39.5
241.08597	0.4
241.19907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98623	0.3
56.96558	17.8
58.06594	7.5
70.06579	0.9
70.50901	0.3
71.95251	1.1
81.04501	0.3
84.08132	3.4
98.09695	0.7
98.97569	100.0
99.97919	0.3
115.96423	0.2
116.98604	64.7
121.06483	0.2
124.43272	0.2
128.10698	1.7
134.99635	25.2
136.06183	0.9
140.00171	0.8
144.10120	0.3
153.00677	2.7
158.01228	0.5
174.97656	0.5
176.02232	0.3
181.08533	0.2
181.97284	0.2
189.18253	0.2
190.95345	0.3
192.98708	0.4
196.09659	2.2
198.97771	0.3
201.58328	0.2
213.15851	0.3
216.98613	1.2
234.99686	1.5
235.43501	0.2
240.10988	0.7
240.98602	2.1
241.15428	39.2
242.15678	0.7
243.98103	0.2
258.99725	28.9
259.99921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51945	1.1
67.05499	2.3
69.03426	2.0
71.04980	1.2
79.05456	1.5
81.07040	1.7
83.03232	1.0
91.86887	1.2
95.04929	1.4
97.02860	1.7
98.97592	2.9
105.07013	1.3
107.08555	1.4
110.83577	1.2
116.64606	1.2
116.98617	1.8
117.58395	1.3
121.10106	2.4
127.03842	1.3
133.07765	1.6
136.65869	1.1
140.69754	1.1
143.49397	1.1
153.01898	1.3
199.11053	1.2
241.10428	100.0
242.10820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1069
Annotation	CMPF
Peak:m/z	Relative Intensity
52.55419	0.4
55.01859	0.6
62.09926	0.4
65.03915	0.6
67.05515	0.5
70.92962	0.8
73.02901	0.8
77.03918	0.5
78.04707	0.9
79.05476	1.5
81.03394	0.7
81.07041	0.5
84.87625	0.4
86.22575	0.5
90.04733	0.7
91.05470	4.5
93.07000	0.6
95.04964	1.6
99.04442	0.6
103.05451	1.5
105.04480	0.8
105.07019	2.0
106.04144	1.0
107.04942	4.7
107.08501	0.5
108.05722	0.8
109.06464	1.3
116.06241	0.4
117.07019	0.5
119.04929	1.1
120.05681	2.1
121.06492	5.6
122.03615	0.6
123.04414	2.3
123.08009	0.7
131.04898	0.7
133.02798	0.9
133.06514	2.2
135.04399	1.9
135.08031	1.2
136.05202	3.8
137.05975	6.6
138.06758	1.9
139.03874	1.1
147.04315	0.5
148.05174	19.7
149.05980	7.8
150.06711	1.4
151.03883	1.9
151.07515	4.8
154.06221	6.7
161.05959	2.5
162.06743	1.1
163.03896	0.8
163.07565	2.6
164.08319	4.6
165.05460	5.4
165.09097	1.3
166.06233	4.8
167.07025	8.2
169.08624	2.8
177.05453	18.3
178.05920	0.5
179.07042	3.8
180.07797	3.8
181.08572	100.0
182.08923	1.5
190.06239	1.6
191.06966	3.5
192.07788	47.9
193.04930	1.5
193.08319	1.4
195.06546	1.0
195.10147	6.2
195.54994	0.4
196.23727	0.5
205.04900	0.7
205.08595	1.1
208.07306	2.5
209.08209	0.6
223.09615	20.8
224.09933	0.8
226.08478	0.7
241.10704	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	241.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.37678	0.6
59.47039	0.5
71.04972	0.5
79.05502	0.8
81.07043	0.5
91.05486	3.1
93.07010	1.1
95.04949	1.2
98.97565	1.5
103.05455	0.8
105.03365	0.9
105.07027	2.0
106.04139	0.9
107.04946	10.9
107.08524	0.5
109.06506	1.8
111.04441	0.6
112.05078	0.5
112.07561	0.9
116.98615	0.6
118.31341	0.5
120.05692	1.5
121.06484	4.4
123.04412	1.4
130.05040	0.9
131.04933	0.9
133.06493	2.9
135.04366	0.8
135.08028	1.6
136.05136	2.7
137.05951	4.5
138.06783	2.5
139.03868	0.7
139.07483	0.6
147.04410	0.9
148.05165	15.4
149.05978	5.5
150.06700	1.1
150.09079	1.5
151.03891	0.8
151.07532	3.6
154.06245	6.6
161.05916	4.0
162.06693	0.8
163.07494	2.9
164.04633	0.9
164.08293	4.9
165.05464	3.2
165.09067	1.5
166.06241	3.3
167.07031	3.0
169.08601	1.2
177.05435	15.9
179.06984	2.7
180.07820	4.5
181.08574	100.0
182.08948	2.1
190.06242	1.6
191.06982	2.7
192.07788	42.0
193.04965	1.2
193.08244	1.5
195.06575	1.3
195.10117	7.1
196.09683	0.8
205.04991	1.0
205.08511	0.6
208.07242	1.5
211.09676	0.6
223.09615	16.0
224.09315	1.5
226.08298	0.7
241.08426	1.0
241.10532	5.2
258.99561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
58.06598	18.9
60.08150	0.9
70.06589	2.7
70.37140	0.4
72.08162	0.3
81.03398	0.6
84.08135	10.2
85.06502	0.3
88.75699	0.3
96.21629	0.3
98.06031	0.5
98.09674	1.2
98.22915	0.6
100.11246	0.6
104.10741	11.8
105.44839	0.3
114.05521	0.5
116.07129	0.4
126.09138	0.4
128.10706	3.4
144.10165	1.0
145.81071	0.3
160.04701	0.4
162.30605	0.3
168.10205	0.7
187.05638	0.4
196.09654	4.8
198.98575	0.5
213.15994	0.4
241.15445	100.0
242.15823	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	241.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	19.7
60.09352	0.2
60.70195	0.1
69.74442	0.5
70.06583	3.0
71.04970	0.3
72.08142	0.4
77.64678	0.2
81.03407	0.4
84.08133	9.6
85.06536	0.3
98.06037	0.5
98.09674	1.5
98.97568	0.3
99.04450	0.2
100.11226	0.5
104.10717	0.6
106.97929	0.2
114.05516	0.3
116.07087	0.5
116.98609	0.2
118.45119	0.1
124.07607	0.2
126.05458	0.3
126.09135	0.3
128.10699	3.9
143.03319	0.2
144.10176	1.3
152.10689	0.2
155.02132	0.2
157.01292	0.2
168.10159	1.0
189.03909	0.5
196.09668	5.7
198.98407	0.2
199.07573	0.3
213.15855	0.4
227.89319	0.2
241.15430	100.0
242.15771	2.3
243.34700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49060	0.2
50.82875	0.2
56.25678	0.2
56.96560	4.3
58.06595	21.4
65.34185	0.2
68.90617	0.2
70.06590	3.2
70.16383	0.6
72.08146	0.5
81.03409	0.6
84.08135	10.6
85.06525	0.2
97.07648	0.8
98.06041	0.6
98.09687	1.4
98.97575	29.6
99.04453	0.3
99.97935	0.2
100.11267	0.6
108.79430	0.2
114.05511	0.3
116.07116	0.4
116.98615	16.2
119.01974	0.3
126.05560	0.3
126.09077	0.4
128.10710	3.9
134.99641	4.7
135.00598	0.4
144.10161	1.2
152.10686	0.2
153.00746	0.5
168.10210	0.9
177.00818	0.3
196.09671	5.6
199.07500	1.6
213.15970	0.6
217.08466	1.8
219.02057	0.3
234.99774	0.5
240.98628	0.5
241.15440	100.0
242.15820	2.6
258.99738	6.9
259.99884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05503	5.0
56.02639	1.5
58.06576	1.2
67.05499	24.4
69.07056	3.8
71.04986	100.0
71.58019	1.0
79.05483	14.7
81.07052	40.1
83.04962	2.7
83.08623	2.3
85.06522	6.0
91.05466	9.6
93.07034	26.5
95.04955	3.1
95.08590	20.2
97.06522	3.6
98.97556	3.0
99.08072	2.8
105.07009	4.3
107.08587	8.0
109.06516	1.8
109.10120	2.4
111.08060	3.0
116.98611	2.2
117.07047	7.0
119.08557	1.0
121.10108	3.3
123.11693	1.3
129.06956	1.2
131.06883	0.9
131.08562	8.1
133.10098	7.8
134.99648	2.3
135.08093	1.2
135.11676	14.3
149.13225	7.6
159.11687	18.4
177.12758	7.4
185.13274	1.2
199.63225	0.9
209.15248	2.3
241.19562	1.7
242.28423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06100	1.6
55.01867	3.2
57.03424	5.0
58.06595	14.2
59.06924	5.3
70.06581	4.0
70.41661	2.7
71.01349	3.5
73.02907	2.9
74.81754	1.3
81.03399	3.1
83.06092	1.9
84.08133	5.2
85.08479	3.6
86.32535	1.5
87.04460	4.1
89.39413	1.4
98.22912	3.2
98.98452	1.8
101.02380	7.5
104.10743	1.8
110.07162	4.3
115.03905	14.9
118.47807	1.5
119.16841	1.5
129.01855	10.7
129.11040	1.6
132.95738	1.5
143.03387	5.9
157.01295	12.4
161.04417	7.3
171.02875	2.1
174.98409	1.8
189.03912	35.0
191.97150	1.6
196.09656	2.2
197.10066	4.7
207.19881	1.3
219.01892	2.9
241.15431	4.0
242.10316	3.4
242.15790	100.0
243.16013	1.9
253.96281	1.6
261.02979	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	242.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.8
67.14688	0.8
70.90768	0.9
79.64912	0.8
81.03394	2.3
82.71033	0.7
83.06088	1.0
83.14349	0.7
84.04493	5.2
84.08109	0.8
86.09692	4.9
98.97579	3.0
104.38348	0.8
106.07378	0.9
107.04940	1.9
108.05263	3.5
112.03718	7.1
116.98599	3.5
119.00975	1.0
132.10219	2.3
134.06834	1.4
134.99638	2.2
153.05212	6.3
162.06300	1.7
168.67371	0.9
171.06285	1.2
195.77434	0.9
197.12889	2.5
224.08961	7.4
242.09982	100.0
242.24908	0.8
243.10370	1.9
244.97360	1.5
259.99774	1.2
260.04349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17948	0.4
53.03939	0.6
55.01849	0.5
55.05504	0.6
57.03428	7.1
60.20270	0.5
62.04300	0.5
65.03932	0.6
67.05508	1.0
67.89331	0.5
68.99779	1.9
69.03416	0.9
69.07082	0.4
70.71745	0.5
75.04472	2.6
81.03404	7.5
81.07019	0.7
83.04958	0.7
85.06518	0.8
93.07024	0.5
95.04954	0.8
95.08582	1.3
97.02888	0.5
97.36917	0.5
98.03683	1.1
99.04456	0.5
105.07029	0.6
107.04970	0.5
107.08593	0.5
109.02871	18.0
111.00780	7.8
111.04410	1.6
113.09621	0.8
119.08511	0.7
123.08081	1.2
126.03118	16.5
133.10114	0.6
141.05450	57.0
142.05824	0.7
147.11736	0.5
154.02605	1.2
154.06354	0.5
165.12799	1.4
169.04942	100.0
170.05316	1.5
183.08026	0.5
196.99487	0.5
197.06142	0.5
197.08015	1.6
210.08762	0.9
211.06042	1.8
243.06491	0.7
243.08357	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.159
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
55.01862	10.8
55.05505	44.0
57.03427	27.5
57.07066	16.6
61.02927	33.8
65.03918	5.9
65.28755	4.7
67.05161	8.9
67.05499	100.0
68.72220	5.2
69.03429	39.8
69.07062	55.5
71.04987	15.2
71.08633	42.9
72.79565	5.3
79.05482	38.7
81.03416	69.0
81.07052	89.0
81.40990	5.1
83.04974	27.8
83.08597	17.7
85.02899	22.2
85.06543	10.9
87.04468	12.0
88.11272	9.4
91.03948	17.6
91.05478	33.1
93.07026	38.2
93.64697	5.2
95.04989	27.6
95.08598	17.0
97.02851	11.1
97.06501	8.3
97.10149	10.8
99.04437	5.2
99.08081	13.8
105.07015	27.5
107.04955	5.4
107.08567	20.5
109.06510	23.8
109.10158	35.1
111.04402	32.1
115.03892	6.4
119.08575	20.7
121.06523	8.5
121.10140	16.0
123.08068	12.1
123.11679	23.7
125.05994	5.4
129.07022	6.2
131.08536	9.4
133.10124	22.0
135.11687	15.0
137.05962	5.8
141.12733	6.1
143.08525	6.0
147.11650	8.3
149.13242	9.3
151.11150	15.3
153.12752	29.3
155.08553	7.1
159.11656	10.9
161.13225	9.4
165.68114	5.8
170.15413	44.6
177.12651	8.5
179.14247	6.8
185.09596	10.9
189.12685	11.4
195.13773	12.8
198.06673	7.7
198.14873	60.2
207.13786	31.1
208.89653	5.6
213.09113	7.1
215.10632	12.6
225.14661	10.1
232.19119	5.9
242.05298	6.0
243.10172	21.0
243.13660	12.6
243.15868	17.5
244.22748	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	243.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
53.95269	4.2
54.23066	4.1
55.01863	9.7
55.05501	48.4
57.03426	22.9
57.07067	16.2
58.08553	3.4
61.02922	28.8
67.05154	7.4
67.05494	85.2
69.03426	32.1
69.07063	42.1
69.32686	7.9
69.33093	13.3
71.04977	15.3
71.08621	57.2
73.02898	8.3
79.05477	41.4
81.03400	67.9
81.07044	80.6
82.06563	5.7
83.04973	23.0
83.08605	8.9
84.08115	4.3
85.02885	10.1
85.06535	19.7
85.10191	6.9
87.04457	14.2
88.11253	13.1
91.03944	19.4
91.05445	24.4
93.07022	35.4
95.04956	34.6
95.08593	25.6
97.02868	17.0
97.06517	15.5
97.10149	6.4
99.04420	9.9
99.08063	20.1
105.07023	24.5
105.41533	3.9
107.04968	4.0
107.08580	25.5
109.06503	22.1
109.10136	32.2
109.60672	4.2
111.04423	30.8
111.08073	8.4
113.09621	5.0
115.03879	8.1
117.07000	6.7
119.08554	17.6
121.06506	6.1
121.10081	9.9
123.04372	6.1
123.08067	5.6
123.11671	23.5
125.06004	5.8
127.48551	5.0
131.08546	4.9
133.04938	4.7
133.06479	6.0
133.10147	12.4
135.11662	18.4
136.11191	3.8
137.05914	6.3
141.12726	8.8
143.08525	8.7
145.10063	6.0
147.07948	5.6
147.11707	7.6
149.13281	7.1
151.11177	17.2
151.14793	4.7
153.12733	36.4
155.08424	4.1
159.11630	7.7
161.13222	13.4
162.26341	4.9
163.11192	5.1
165.09099	4.5
169.06320	4.7
170.15375	96.4
170.51775	4.2
171.11580	6.0
177.12761	9.5
179.14281	7.8
185.09581	10.0
189.12700	13.2
195.13783	21.4
197.09607	5.0
198.06781	8.1
198.14844	100.0
198.16576	6.2
203.14162	4.0
207.13774	20.9
213.08990	8.8
215.10706	7.7
225.14793	12.4
228.48491	4.2
243.10104	35.2
243.13690	8.6
243.15590	25.6
244.22675	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	244.1542
Annotation	2-ethylacrylylcarnitine
Peak:m/z	Relative Intensity
55.01857	0.3
55.05506	2.9
57.03436	2.0
58.06599	0.3
60.08155	3.9
70.06570	0.4
70.22095	0.3
70.22427	0.5
70.59969	0.2
83.04973	9.2
84.04489	0.5
84.08124	0.6
85.02894	100.0
86.03212	0.4
86.09684	0.3
98.06038	0.6
100.85480	0.3
101.05997	4.0
107.08591	0.4
130.04973	0.4
144.10190	1.4
147.07628	0.2
163.14798	0.3
181.06898	0.3
185.08066	17.2
226.06985	0.7
244.15416	15.4
245.15526	0.3
248.41380	0.2
252.69388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21130	1.1
52.69108	1.1
53.03938	2.0
55.05304	1.1
55.05511	12.2
56.96291	1.9
56.96560	25.3
57.03433	1.7
68.05008	1.7
69.03428	6.6
69.49177	1.2
70.98127	1.7
81.03390	5.9
83.04983	12.2
84.04496	8.2
85.02903	6.0
97.02875	5.3
98.97566	8.4
100.07594	2.9
100.11233	1.8
102.05495	1.4
102.96838	2.9
108.96684	1.1
109.02866	2.3
110.09645	1.3
114.05526	2.3
116.98593	7.4
119.01901	1.5
120.97890	3.6
127.03848	2.1
130.05025	8.2
134.99658	3.7
138.09117	1.4
140.06989	1.6
142.03165	1.3
142.04974	3.4
143.18225	1.3
143.25418	1.2
149.05922	1.6
150.50504	1.4
153.01834	2.8
157.06516	2.5
161.03006	1.7
174.99043	1.3
176.03876	1.6
177.05403	1.3
178.05380	3.7
184.05203	1.3
184.09679	5.7
186.21565	1.2
188.97055	3.6
190.95296	1.4
196.06407	2.0
201.12334	5.1
202.10732	2.1
206.98074	1.7
208.96333	1.3
217.08586	2.7
218.99974	1.9
222.04413	6.8
240.05464	5.7
245.09956	100.0
246.10184	2.0
246.18066	1.8
262.99197	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	245.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	25.1
69.03416	11.5
70.12942	11.3
78.85074	4.4
84.04488	90.5
84.04942	8.4
93.37679	4.7
98.01309	4.6
98.22784	5.9
98.97589	22.7
99.04443	8.8
100.07584	6.0
101.00909	6.2
101.07157	6.8
116.98613	14.3
119.01936	12.1
122.62341	4.7
130.04990	100.0
130.05891	7.6
142.96471	8.9
147.07651	32.5
161.02950	6.9
169.60805	4.6
170.96004	7.8
173.02942	5.2
174.99112	6.3
180.50450	4.6
188.97066	16.8
192.60509	5.2
195.05731	4.9
202.98647	5.7
206.98193	5.8
245.05028	7.0
245.14850	13.4
246.18164	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	245.1131
Annotation	Pro-glu
Peak:m/z	Relative Intensity
50.68599	1.1
51.23478	1.1
56.05028	2.7
58.06577	1.1
62.82342	1.1
66.02107	1.2
67.41515	1.2
69.03432	9.9
70.06584	1.7
71.42047	1.3
81.03397	7.3
84.04500	97.2
85.02903	1.8
99.04436	9.5
100.07633	1.4
101.07134	8.5
102.05534	2.8
116.07130	1.4
130.04991	100.0
142.01749	2.0
147.07632	34.6
171.13269	1.1
199.14293	1.2
245.14946	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	245.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20946	2.4
58.06594	3.3
62.63267	2.5
69.03405	11.1
81.03408	6.4
84.04501	97.4
98.06001	2.9
99.04456	7.8
100.07645	4.2
101.07156	4.9
103.29398	3.0
110.74268	3.3
130.04993	100.0
147.07646	28.5
199.14410	10.6
245.14952	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	245.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	4.1
62.45205	3.7
69.03414	10.1
69.99436	5.5
69.99748	5.4
81.03384	4.8
84.04501	99.6
99.04455	10.8
101.07219	7.2
118.00979	4.0
130.04999	100.0
147.07637	33.2
214.76105	3.7
266.80029	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	245.1858
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05503	0.4
56.05010	0.3
57.05805	0.5
58.06585	0.4
69.03424	0.3
69.07058	11.0
69.49413	0.6
78.99837	0.2
81.03407	0.2
83.04969	0.8
84.04507	0.6
85.02894	1.8
86.09692	100.0
87.10034	0.9
88.98219	0.2
90.97364	0.2
91.05450	0.2
130.04996	0.8
132.10187	1.7
142.03139	0.2
147.87946	0.2
189.04211	0.3
191.73958	0.2
199.18039	0.7
234.68262	0.2
245.04384	0.4
245.11650	0.3
245.18571	3.1
246.16942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05506	0.2
61.06576	0.4
68.16099	0.2
68.85688	0.2
69.03422	0.2
69.07056	1.2
69.29009	0.4
69.29408	0.9
70.06596	0.3
75.04483	0.3
83.04972	0.3
84.04494	0.5
86.09702	100.0
87.10020	0.6
89.30277	0.2
99.04459	0.2
105.05495	2.2
112.46966	0.2
130.04994	0.6
132.10196	3.0
137.47739	0.2
142.03250	0.2
143.03304	0.3
157.04927	0.6
166.01315	0.2
171.02821	0.4
174.22031	0.2
199.18001	1.4
217.07031	1.3
245.06630	0.6
245.13600	9.5
245.18590	3.9
246.14212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1699
Annotation	2-Methylbutyroylcarnitine
Peak:m/z	Relative Intensity
57.03426	1.8
57.07070	2.9
58.06602	0.5
59.07387	0.3
60.08160	7.9
60.08467	0.4
66.51379	0.2
66.57096	0.2
70.10209	0.5
70.10558	0.4
84.04514	0.3
84.08150	0.4
85.02898	100.0
85.06533	2.8
86.03237	0.8
86.09698	2.8
87.10037	1.8
91.05483	0.2
102.05544	0.8
103.07603	0.4
107.04940	0.3
124.07568	0.3
127.03816	0.3
129.07843	0.3
132.60652	0.2
144.10187	1.6
187.09639	8.7
219.02824	0.4
246.16983	26.4
247.17308	0.4
260.85132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31764	0.7
55.05505	0.8
56.05034	1.0
56.28534	0.8
56.96560	100.0
57.03405	0.8
58.06596	1.1
60.95852	0.8
67.05517	1.0
69.03423	1.2
70.98116	18.9
72.68265	0.8
74.02443	1.5
74.97591	5.7
77.98560	0.7
78.13590	0.7
83.04915	0.9
84.04497	3.0
84.08136	2.2
84.63458	0.8
84.96037	5.2
85.02908	2.6
86.97592	2.4
88.99147	10.5
92.61042	0.7
93.74913	0.9
94.85895	0.7
98.97573	11.1
99.04454	0.8
100.07600	5.0
100.99119	6.4
102.96942	2.1
107.00198	2.7
108.69032	0.8
110.97545	5.2
112.95516	1.5
115.00632	1.0
116.98597	9.5
117.10215	3.6
118.08663	1.5
119.00153	5.3
119.01938	2.1
120.97902	3.2
126.96994	0.8
128.98589	9.6
130.96547	2.0
131.01854	0.8
133.01700	4.8
134.99652	6.8
138.98938	1.6
143.00151	1.4
144.98077	22.0
146.99619	12.4
148.97539	4.3
151.02835	1.0
153.01820	0.8
158.99615	1.0
159.03300	1.1
161.01233	3.9
162.99124	29.7
163.02727	1.5
165.00682	10.6
166.05035	2.0
166.98630	1.4
174.99129	2.3
175.02831	1.0
177.00752	1.4
177.04362	2.5
179.02313	2.0
181.00175	14.1
183.01776	1.4
186.99196	3.2
190.95384	0.9
193.00232	1.9
199.01314	1.7
204.01770	0.8
205.00166	32.1
205.02048	1.6
223.01225	61.6
223.04889	1.7
228.01756	1.4
229.03209	2.3
241.02267	7.8
245.59854	0.8
246.02669	0.8
246.18103	4.6
247.01389	2.5
247.04382	8.0
247.06549	1.0
247.16432	1.2
247.18640	1.1
264.99161	1.7
265.02637	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	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.8
58.06581	3.1
60.08137	1.1
70.29012	1.8
74.72657	0.9
84.04474	1.8
84.08119	0.9
98.97578	1.6
98.98444	1.4
100.07589	3.8
101.00865	2.9
116.98624	1.2
117.10239	6.2
119.01903	6.9
137.02911	1.0
161.02943	1.5
162.99069	0.9
166.98895	1.0
174.99132	1.5
184.09612	0.8
186.26048	0.9
193.00323	1.5
201.15968	4.0
205.00186	1.2
215.00450	1.7
223.01215	2.9
229.03162	30.9
246.18069	2.1
247.04227	100.0
247.16458	9.7
247.18506	1.0
257.60123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0575
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
64.35158	1.9
69.03399	2.7
69.60550	5.3
91.05457	3.8
95.08567	2.1
98.22710	2.4
102.46486	2.0
104.63783	1.8
105.07018	3.2
108.04437	2.7
119.88037	2.2
131.08549	2.8
133.80064	1.9
159.08029	3.5
187.11185	2.0
201.05272	7.5
247.05745	100.0
247.13318	6.5
248.06119	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73125	1.1
54.03470	1.5
54.54843	1.2
55.01871	2.9
56.05033	11.0
56.96566	4.0
57.67868	1.1
58.06593	2.1
59.16314	1.1
61.01132	2.2
65.24454	1.2
67.05492	1.5
69.07053	3.1
69.83382	3.4
70.06595	3.1
72.04494	7.7
72.08139	2.1
74.02435	40.1
77.97814	1.2
81.07020	1.3
82.02903	5.7
82.06599	1.2
83.01331	2.5
83.04964	1.9
84.04492	100.0
84.08133	3.7
84.54866	1.1
85.02895	1.7
86.09695	22.6
86.10207	1.3
88.03984	9.3
88.99139	1.2
92.40967	1.1
94.06564	4.4
94.80728	1.0
96.04480	2.9
96.08105	1.4
98.97560	2.1
100.03969	6.6
100.07623	4.6
100.11280	1.2
102.05530	31.2
104.05322	5.0
104.99243	1.5
109.03965	1.3
109.71548	1.2
110.02422	4.0
110.06049	3.4
112.03941	9.1
113.10744	1.4
116.07087	9.4
116.98588	1.2
117.10250	3.6
118.05003	11.5
118.08646	3.6
118.12279	1.3
119.06106	1.6
120.04453	1.3
122.05969	2.5
124.03974	1.1
130.04988	1.5
131.08635	1.3
132.10187	6.5
137.07138	3.6
138.05478	16.7
140.60564	1.1
141.10228	2.6
146.04469	13.7
147.04498	1.4
147.05482	6.2
153.01811	1.9
162.40887	1.3
165.00571	1.4
165.06572	14.6
166.04976	71.8
166.08635	4.5
183.07620	16.0
183.11310	1.5
184.06039	1.6
184.07794	1.2
184.09642	2.8
187.10785	2.0
193.06041	1.4
193.69859	1.4
201.08727	2.3
201.12329	9.5
201.16042	3.3
211.07108	9.7
212.05508	22.3
212.09076	3.6
229.03221	2.0
229.08167	9.4
229.11990	1.5
230.06541	6.2
246.18265	1.9
247.04153	8.7
247.09311	4.8
247.16473	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	247.1288
Annotation	H-GLU-VAL-OH
Peak:m/z	Relative Intensity
55.05513	6.3
55.84862	0.8
56.05035	5.1
65.17796	0.8
67.98787	0.8
68.05013	3.8
71.04987	8.2
71.33697	1.1
72.08146	3.8
72.82763	0.9
72.85516	0.8
74.02441	2.3
80.63808	0.8
83.04978	11.6
84.04494	100.0
85.02895	3.3
85.04822	1.0
95.06074	3.5
96.04479	11.1
100.07610	34.2
102.05534	4.9
104.99292	1.0
109.85754	0.8
110.06062	1.7
110.42764	0.8
113.40243	0.8
114.05546	2.0
118.08644	83.1
119.01899	0.9
119.08992	0.9
127.86066	0.8
130.04991	26.0
138.05501	1.3
141.06584	8.3
142.04980	27.4
155.06961	1.1
166.05019	2.7
166.08611	7.6
183.11203	1.2
184.09677	38.8
201.12320	1.1
201.15810	0.9
211.10811	5.5
212.09106	12.9
229.08482	1.1
229.11816	7.1
230.06656	1.5
230.10220	34.5
247.04251	1.0
247.10219	1.3
247.12871	23.7
247.16653	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	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.02414	1.4
53.03932	5.3
55.05498	5.2
55.68218	1.3
65.03913	5.5
65.10747	1.2
67.05486	5.8
67.61457	1.3
68.99777	1.8
69.03424	22.0
69.07050	2.2
69.23730	7.1
69.90520	1.3
77.03917	1.5
79.05485	9.3
81.07056	9.6
83.04975	21.6
91.05481	18.5
93.03394	5.4
93.07027	13.1
95.04933	6.2
95.08583	2.6
96.07434	1.5
97.02899	7.7
97.06531	2.0
98.98463	1.4
103.05465	2.2
105.07013	15.5
107.04932	3.6
107.08588	16.7
108.05742	1.7
109.02882	9.9
109.06501	14.0
109.10118	3.1
111.04409	5.6
111.08101	1.6
115.05421	2.7
116.06216	1.6
117.07017	12.6
119.08571	20.3
121.02859	2.5
121.06482	19.0
121.10101	7.8
122.07295	1.7
123.08064	3.4
128.06219	4.6
129.07005	9.0
130.07724	1.7
131.08553	22.7
132.05695	4.6
133.10103	11.7
135.08037	28.6
135.11670	1.5
137.05963	5.0
137.09572	4.4
139.03903	1.4
141.06995	3.5
142.07660	4.3
143.08530	10.8
144.05658	2.0
144.09300	8.8
145.06482	15.6
145.10112	14.9
147.08022	5.9
147.11694	1.5
149.05901	2.9
149.09595	23.4
150.10373	2.6
151.11169	4.2
153.06964	2.7
153.09100	1.8
155.08521	5.8
157.10132	6.0
158.07225	2.2
158.10898	12.7
159.08069	13.2
159.11685	29.6
160.08817	4.1
161.09631	4.3
163.07513	19.5
163.11166	4.0
165.09001	1.8
168.09323	6.2
169.10121	3.6
170.10869	4.7
171.08040	9.6
171.11708	2.3
172.08829	17.8
173.05927	3.0
173.09621	30.8
173.11853	2.4
173.13243	37.6
175.11278	2.8
177.09164	2.1
181.06488	1.5
182.19946	1.4
183.11720	8.7
185.09509	2.4
185.13237	3.0
186.10373	21.5
187.07542	5.0
187.11162	100.0
188.08228	1.6
188.11601	3.2
189.09120	2.9
191.05269	2.5
191.07010	43.5
193.70097	1.4
196.08864	7.3
201.12717	58.4
203.14227	2.6
205.12186	7.7
211.11150	12.7
214.09821	5.5
219.13782	7.1
229.12216	65.7
247.09557	3.4
247.13251	87.2
247.18835	2.5
248.13643	3.1
248.20018	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	247.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
56.05017	0.5
56.94089	0.3
56.96567	1.8
57.03456	0.3
58.06301	0.7
58.06593	14.5
59.07376	3.9
60.07873	0.4
60.08160	5.7
67.05507	0.5
69.16460	1.8
70.06570	1.1
71.04990	0.8
72.08154	2.4
74.02419	0.6
79.05487	0.6
81.07065	0.4
82.06583	0.6
82.99824	0.4
83.04967	1.2
84.04496	8.0
84.08144	3.5
85.06528	1.2
86.02418	0.6
86.09692	1.1
96.04485	1.0
96.08115	0.5
100.04010	0.4
100.07621	5.1
101.00883	4.2
101.06004	0.5
104.10734	12.0
110.97511	0.5
117.10244	39.6
117.38262	0.3
118.08647	10.1
119.01903	6.9
124.07567	0.5
130.04977	2.4
130.09741	1.3
131.01883	1.1
137.02943	0.6
141.06619	0.6
142.04979	1.8
142.08582	0.3
143.01892	1.4
145.03502	0.6
148.06053	0.4
157.03473	0.5
161.02928	3.8
162.99078	0.4
166.04976	0.9
170.08067	0.4
174.99136	1.1
175.04495	0.5
184.09705	2.4
187.00847	0.8
193.00253	0.7
201.15961	37.6
202.16327	0.6
205.00221	0.5
205.01926	1.3
212.09200	0.9
223.01198	0.9
229.03139	1.1
230.10228	1.6
247.04285	4.6
247.16508	100.0
248.16779	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	247.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
56.05025	0.9
56.77291	0.3
56.96553	0.7
57.07063	0.5
58.06593	12.9
59.07374	3.5
60.08160	4.9
65.24265	0.2
67.05491	0.7
67.59634	0.3
69.03399	0.4
69.07067	0.7
69.33910	0.8
69.34317	0.6
70.06576	1.1
71.04976	1.2
72.08151	1.7
74.02422	1.4
79.05513	0.5
81.07052	0.6
82.06586	0.6
83.04978	1.5
84.04501	11.9
84.05008	0.7
84.08139	3.2
85.02898	0.5
85.04814	0.4
85.06538	1.1
86.02412	0.6
86.09692	1.0
88.03967	0.4
89.52686	0.3
95.28762	0.3
96.04474	1.2
96.08107	0.4
98.22651	0.6
98.98452	2.0
99.04482	0.4
100.07607	6.2
101.00876	1.1
101.05998	1.2
102.05519	0.9
104.10738	1.7
111.04437	0.3
114.01857	0.3
114.09198	0.6
115.17390	0.3
117.10248	36.9
118.07832	0.6
118.08643	9.1
118.10582	0.7
119.01919	3.9
124.07587	0.7
128.07080	0.5
130.04991	3.4
130.09763	0.8
132.05450	0.8
133.43918	0.3
137.02950	0.6
142.04996	1.7
142.08714	0.7
143.01877	0.7
147.07614	0.9
161.02965	1.9
165.06650	0.4
166.04984	2.0
166.08595	0.6
167.03134	0.4
169.01071	0.3
171.14923	0.3
183.07689	0.5
184.09669	2.7
201.15964	34.2
202.16278	0.6
205.01935	0.7
212.05463	0.3
212.09135	0.9
215.00369	0.5
223.01216	0.4
229.03181	5.6
229.08292	0.4
229.11807	0.7
230.10201	2.3
247.04250	16.9
247.16504	100.0
248.04573	0.4
248.16861	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88309	1.0
55.05507	8.3
55.55805	1.1
56.05040	5.4
56.71006	1.1
57.03420	3.3
57.07069	23.4
67.05499	17.5
68.05024	1.5
68.52409	1.2
69.03406	3.2
69.07067	15.1
70.06572	2.7
71.04988	39.2
73.06551	1.2
79.05490	17.2
80.05013	2.0
81.07050	15.0
82.06577	4.6
83.04965	3.1
83.08617	6.9
84.08138	2.0
85.06540	26.6
86.09738	1.3
88.03996	8.4
88.07653	1.9
91.05473	3.8
93.07041	21.1
95.04953	2.9
95.08595	8.6
96.08137	6.2
97.02882	1.3
97.06528	4.7
98.09689	2.6
105.07047	1.8
107.08593	9.4
108.04459	3.8
109.02869	2.9
109.10137	9.3
111.08069	5.9
114.09157	3.8
116.00083	1.1
117.06972	1.4
119.46268	1.1
121.06519	1.6
121.10099	1.8
123.11700	1.6
125.13254	2.9
126.05499	2.1
127.11146	1.4
128.07109	5.5
133.10124	2.4
135.08113	1.9
135.11690	24.6
135.29265	1.1
138.09111	1.2
139.07523	1.8
142.08653	2.3
142.15898	3.9
143.19539	1.1
149.13232	4.4
152.13092	2.4
152.14340	40.2
153.01878	2.3
153.12733	18.1
158.11809	1.6
159.11649	2.0
164.86513	1.2
167.14326	2.5
170.15393	72.3
171.13760	4.5
171.15868	1.3
171.24507	1.2
177.12767	6.0
188.16460	12.7
194.15282	1.5
195.13791	5.1
212.16449	25.6
230.15213	1.8
230.17480	28.3
234.73782	1.1
248.09581	2.4
248.18564	100.0
248.98621	1.4
249.18883	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	248.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02268	0.8
55.01838	0.8
55.05508	5.7
56.05019	1.4
57.07052	3.8
67.05497	20.3
68.05013	8.4
69.03421	4.2
69.07058	12.5
70.02943	6.9
70.06579	6.0
70.73438	1.2
71.04980	6.8
79.01833	1.8
79.05483	13.0
81.07045	9.2
82.06087	1.7
82.06567	26.6
83.04969	4.7
83.08604	2.7
84.08130	5.2
85.06531	4.9
85.10161	1.2
86.06046	3.2
86.09685	2.7
87.04460	1.0
88.03981	90.0
91.05463	2.8
93.07030	18.2
95.04970	2.0
95.08596	4.7
96.08110	1.9
97.02849	1.1
97.06493	2.3
107.04953	1.5
107.08601	6.0
109.06470	1.1
109.10141	12.9
110.06012	1.3
110.09672	2.4
111.04403	5.0
111.08039	1.3
113.09636	1.8
121.06472	1.7
123.11673	1.1
124.11201	1.6
125.02322	1.3
125.05969	1.4
127.07536	1.5
127.11153	3.6
128.07057	100.0
129.05464	6.5
133.10030	0.9
135.11668	16.3
139.07545	1.2
143.03378	2.4
144.10187	2.3
146.08095	6.0
149.13237	2.8
150.12714	1.7
152.14326	63.6
153.00624	1.6
153.01804	21.5
153.02911	1.2
153.12726	7.6
159.11702	2.0
170.15375	18.3
171.13783	2.1
177.12726	2.4
194.15419	1.7
195.13785	3.5
212.16429	43.5
213.14845	1.9
230.17477	67.3
231.17828	1.3
248.05533	1.4
248.09273	1.4
248.18538	84.5
249.18883	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	10.8
69.72810	22.5
78.80676	9.4
94.93015	48.5
96.56873	9.1
98.23488	12.5
98.97579	63.3
111.08637	8.7
112.34266	8.3
116.98618	28.2
123.63465	10.5
135.54796	9.0
158.99622	14.8
177.00687	13.8
177.34749	9.1
193.76472	10.1
206.88533	10.8
249.03700	100.0
249.14749	11.9
251.54745	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	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
53.18250	0.4
53.18520	0.4
55.01867	11.8
55.05513	0.7
57.03432	12.0
58.03763	0.5
58.06581	0.5
59.04998	0.6
61.02919	6.3
65.05770	0.4
67.01856	0.6
67.05486	0.9
68.99786	5.7
69.03422	71.7
69.07052	0.6
70.03743	0.7
71.01350	2.0
71.04989	7.6
71.05365	0.3
73.02905	8.0
79.05479	1.5
81.03409	38.1
81.07049	0.9
82.03745	0.7
83.01337	2.3
83.04974	0.8
83.96930	0.4
85.02895	100.0
86.03225	1.1
87.00819	47.1
87.04475	2.0
91.03923	0.6
91.05475	1.3
92.25496	0.4
93.07025	1.1
95.04959	1.3
95.08602	0.6
97.02884	44.8
97.06485	0.5
98.22617	0.9
99.00790	0.6
99.04447	22.5
101.02357	2.5
102.50407	0.4
103.03920	1.2
105.01856	20.0
105.06992	2.0
107.04940	1.0
107.08580	1.3
109.02867	25.9
109.04840	0.9
109.06535	0.6
111.00763	0.5
115.03916	2.4
117.01061	0.4
117.01848	1.2
119.08578	1.2
121.06468	0.4
123.04380	0.8
123.08038	0.6
127.03902	49.7
128.04286	0.7
129.01820	2.5
129.06976	0.9
131.08516	0.9
133.10110	0.8
135.03448	0.6
135.04404	7.6
135.08066	0.5
135.11624	1.0
138.50697	0.4
139.03827	0.6
142.07738	0.5
143.08504	0.7
145.04939	8.7
145.06657	0.4
145.10130	1.0
147.02840	0.9
147.04388	0.5
147.07994	0.5
151.03667	0.4
152.05667	2.0
153.01819	0.5
153.07401	0.5
153.09079	0.5
157.10147	0.6
157.30664	0.4
159.02855	4.4
159.08023	0.5
161.09578	1.5
161.13251	0.7
166.89345	0.5
171.02849	1.5
175.11070	0.5
178.12213	0.5
185.13303	0.6
188.10712	0.7
189.03940	1.1
189.09143	0.7
203.06966	0.5
203.10573	0.6
203.14204	0.5
206.11719	1.1
213.03902	0.8
213.08911	0.5
231.05000	4.1
231.13715	0.8
249.11070	1.6
249.16118	2.4
250.12895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
53.04172	1.0
55.01869	8.8
55.05511	0.6
57.03431	11.4
58.55560	0.5
59.04998	1.3
61.02923	8.0
67.05491	1.1
68.99782	6.0
69.03423	79.8
69.07059	1.2
69.46672	2.7
69.47019	0.8
70.03779	0.7
71.01343	1.7
71.04987	8.7
73.02913	6.2
79.05498	1.4
80.44382	0.6
81.03412	39.3
81.07050	2.0
83.01332	2.1
85.02898	100.0
86.03217	0.9
87.00822	54.2
87.04465	2.1
89.02406	0.5
91.03954	1.0
91.05473	2.7
93.07014	1.3
95.04954	0.8
95.08572	0.9
97.02885	52.0
97.06499	1.6
98.03178	0.6
99.04446	22.0
101.02349	2.9
103.03951	0.7
105.01148	1.0
105.01858	20.1
105.07013	2.7
107.04931	1.2
107.08601	1.0
109.02869	24.0
115.03914	2.5
117.01848	1.2
117.06997	0.8
119.08569	1.7
123.08031	0.9
127.03903	58.6
129.01790	3.0
129.07031	1.5
131.08524	1.9
133.06471	0.8
133.10088	1.7
135.04417	2.0
135.08012	1.0
137.06001	0.6
143.03352	0.7
143.08607	1.2
145.04950	11.7
145.06152	1.0
145.10143	1.6
146.06027	1.1
147.02855	1.4
147.04417	0.7
147.08017	1.4
147.11690	1.2
157.06560	1.3
157.10066	1.3
159.02870	4.9
161.05952	1.0
161.09566	2.8
161.13316	0.8
164.15530	0.6
171.02881	1.2
171.08015	0.8
175.07579	1.2
175.11134	0.7
177.05460	0.6
185.13242	0.9
187.07426	0.9
189.03870	0.7
189.09132	1.4
203.10692	0.8
203.14252	0.7
206.11687	0.9
207.02866	1.5
213.03882	1.2
213.08920	0.7
231.04941	3.8
231.09972	0.7
231.13815	2.4
249.03865	1.1
249.07489	1.3
249.11070	2.1
249.14761	3.0
250.10686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03936	0.7
55.01856	1.4
57.03422	0.6
60.20501	0.5
67.05499	2.5
69.03409	2.3
69.07047	1.6
69.97227	0.6
71.04976	0.6
78.87581	0.5
79.05502	3.1
79.05873	0.5
81.03397	1.1
81.07047	3.0
83.08598	0.8
83.35170	0.5
85.02877	1.2
91.05471	7.9
93.07008	2.5
95.04947	2.9
95.08586	2.0
97.02876	2.2
97.06518	1.5
101.05297	0.5
103.05441	0.6
105.07014	5.9
107.04934	2.3
107.08575	1.5
109.01183	0.5
109.06509	0.7
109.10130	1.1
115.05408	4.9
116.06247	3.2
117.07005	2.9
119.04943	0.8
119.08604	2.7
121.06496	2.4
121.10118	1.2
123.04401	0.6
123.08031	1.0
128.06206	8.9
129.06990	19.3
131.04942	2.5
131.08557	16.4
132.05693	1.0
133.06477	3.2
133.10080	3.0
135.04393	1.4
135.08020	0.8
135.11658	0.7
137.05917	0.6
137.09595	1.1
141.06972	10.3
142.07756	4.2
143.04919	0.8
143.08545	4.0
144.05699	8.0
145.06482	6.0
145.10124	0.9
146.07236	3.1
147.04404	1.3
147.08025	2.1
147.11717	0.7
149.09685	0.5
151.07562	0.5
152.06177	1.1
153.01816	2.5
153.06973	1.8
153.84076	0.6
155.06004	1.3
156.05704	1.5
157.06479	9.8
157.10065	0.7
158.07222	2.1
159.04460	0.7
159.08041	26.2
160.05138	1.1
161.05980	3.1
161.09612	7.9
167.07077	0.8
169.06424	1.9
169.07683	3.2
170.07266	7.4
171.04376	1.2
171.08011	7.0
172.05191	2.8
173.06001	3.3
174.06741	2.8
175.07497	3.8
178.06221	1.1
184.05200	1.0
185.05901	1.6
185.13295	0.5
187.07526	17.8
188.08231	1.3
189.05457	2.9
189.09071	9.6
189.12770	1.2
190.06195	1.1
191.07010	1.8
193.08571	0.9
193.10162	0.6
198.06702	1.7
199.07506	3.5
201.05418	1.7
203.07016	5.0
203.14293	1.0
204.07799	11.9
205.08554	2.1
206.09308	0.8
213.12744	1.3
216.07838	3.7
217.08647	0.7
218.09409	1.6
219.10153	2.3
221.11630	2.6
231.10158	6.8
231.13788	2.2
234.08737	1.1
249.11197	100.0
250.11528	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01852	0.5
55.05488	0.6
57.03410	0.7
65.03923	0.5
67.05479	1.4
69.03419	2.9
69.07063	0.5
69.44304	2.1
74.16825	0.4
79.05472	1.6
80.31015	0.5
81.03400	1.3
81.07037	1.5
83.04945	0.4
85.02893	1.6
87.00842	0.5
87.35997	0.5
91.05471	8.3
93.07025	1.4
95.04953	1.2
95.08590	1.9
97.02870	2.2
97.06515	1.1
99.04443	0.7
103.05444	0.7
104.51286	0.5
105.07004	3.8
107.04928	1.9
107.08582	1.2
109.10139	0.5
115.05445	5.8
116.06245	3.7
117.07001	3.4
118.07780	0.8
119.04895	0.6
119.08567	1.8
121.06496	0.7
121.10097	0.7
128.06198	9.5
129.02089	0.5
129.06995	19.9
130.07741	1.4
131.04892	2.3
131.08556	17.9
132.05675	1.7
133.06479	3.2
133.10143	2.1
135.04424	0.6
140.67691	0.5
141.06973	9.7
142.07774	5.1
143.08527	3.9
144.05690	10.2
145.06467	5.6
145.10110	1.0
146.03706	0.5
146.07268	3.3
147.04401	1.8
147.08043	1.2
147.11649	0.7
152.06207	0.8
153.01797	1.1
153.06967	2.2
153.97958	0.4
155.04919	0.5
155.06027	2.6
156.05713	1.5
157.06467	11.4
158.07239	1.9
159.08038	27.9
160.05154	1.2
160.08539	0.4
161.05978	3.6
161.09601	8.5
167.07045	0.7
169.06404	1.1
169.07588	3.4
170.07248	8.9
171.04425	1.7
171.08022	6.4
172.05196	3.3
172.08478	0.6
173.05963	4.3
174.06717	2.8
175.07509	3.6
177.05411	0.7
178.06149	1.2
184.05199	0.7
185.05930	1.2
186.06795	0.9
187.07518	22.0
188.08150	1.0
189.05449	3.4
189.09065	9.7
189.12663	0.6
190.06262	1.0
191.06947	1.4
192.07820	0.5
193.08646	1.0
194.15404	0.8
198.06757	2.4
199.07521	3.3
201.05382	2.0
203.06975	5.6
203.14319	0.9
204.07790	14.0
205.04881	0.6
205.08553	1.4
206.09369	0.7
206.15404	0.8
216.07793	3.7
217.08611	1.2
218.09383	1.2
219.10078	2.6
221.04433	1.0
221.08049	0.9
221.11702	3.0
231.10141	6.3
231.13808	1.4
231.17433	0.7
234.08873	0.9
249.11197	100.0
250.11530	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01860	0.6
57.03420	0.7
67.05495	0.4
69.03419	0.8
69.29700	1.9
79.05480	0.6
85.00005	0.3
91.04930	0.7
91.05470	7.6
95.04938	0.4
97.02863	0.4
98.23141	1.6
103.05454	1.1
105.07002	2.8
106.27574	0.3
107.04955	1.3
113.36887	0.3
115.05441	4.9
116.06230	3.1
117.07032	2.1
118.07793	0.4
119.04887	0.4
119.08571	0.4
121.06448	0.4
124.55734	0.4
128.06207	9.9
129.06990	17.7
130.07704	1.3
131.04904	1.5
131.08546	15.5
132.05679	1.5
133.06479	2.9
133.10100	1.9
139.05394	0.6
141.06969	10.2
142.07777	4.6
143.04922	1.3
143.08542	3.5
144.05687	9.1
145.06471	5.1
146.07240	3.7
147.04419	0.9
147.08034	0.9
152.06207	1.2
153.06958	2.2
155.04922	0.4
155.06030	1.7
156.05681	2.7
157.06471	9.3
158.07275	2.6
159.08040	26.6
160.05191	1.2
160.08591	0.4
161.05972	3.8
161.09596	6.6
167.04913	0.5
167.06995	1.1
169.06404	1.3
169.07614	3.6
170.07236	7.3
171.04396	2.0
171.08015	6.5
171.09361	0.4
172.05200	3.0
173.05957	3.7
174.06699	3.1
175.07501	3.7
177.05414	0.5
178.06221	1.2
178.07712	0.7
181.07686	0.5
184.05145	0.5
185.06012	1.1
186.06741	0.8
187.07520	17.4
188.08191	1.6
189.05455	3.7
189.09070	8.2
190.06271	1.1
191.07008	1.1
193.08647	0.4
193.10194	0.4
198.06741	1.4
199.07550	3.9
201.05487	1.7
202.06056	0.6
203.06992	7.8
203.08629	0.5
204.07785	11.4
205.08495	1.5
206.07307	0.5
206.09367	1.2
216.07765	3.7
217.08617	1.2
218.09402	0.6
219.10175	1.6
221.07851	0.7
221.09596	1.2
221.11717	3.2
231.08211	0.3
231.10175	6.5
234.06679	0.7
234.08910	0.8
245.74422	0.4
249.09239	4.3
249.11195	100.0
250.11606	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.15796	0.5
55.01864	0.7
69.03419	1.1
69.09366	3.6
79.05473	0.8
85.04637	0.5
89.48622	0.5
91.05476	6.7
103.05441	1.1
105.07040	3.7
107.04951	1.9
107.08559	0.5
115.05457	5.4
116.06244	4.0
117.07018	2.9
119.04932	0.6
119.08559	1.4
127.05416	0.5
128.06209	9.6
129.07004	21.8
130.04080	0.5
130.07791	0.9
131.04907	2.2
131.08562	16.8
132.05701	1.1
133.06470	3.6
133.10136	1.9
134.15015	0.5
139.05432	0.9
141.06985	9.2
142.07780	5.2
143.04861	0.6
143.08540	3.9
144.05692	9.9
145.06476	5.8
146.07262	2.9
147.04395	1.5
147.08003	1.0
152.06175	1.1
153.06989	2.0
155.06046	2.0
155.20073	0.5
156.05666	2.1
157.05302	0.8
157.06491	9.9
157.10091	0.6
158.07283	2.4
159.08047	25.0
160.05150	1.7
160.08650	1.0
161.05997	4.1
161.09604	7.2
163.07509	0.8
167.07014	1.4
169.06432	1.5
169.07620	3.6
170.07277	7.9
171.04396	1.4
171.08047	6.5
172.05179	3.1
173.05928	4.7
174.06714	1.8
175.07561	3.3
178.06223	0.7
178.07823	0.9
185.06013	0.9
185.09547	0.6
186.06790	0.9
187.07518	17.8
188.08249	0.7
189.05478	3.3
189.09117	9.4
190.06216	2.3
191.07014	1.1
193.08594	0.7
197.55621	0.5
198.06784	1.8
199.07539	2.8
201.05440	1.5
203.06999	6.8
204.07805	13.5
205.08562	2.0
206.09366	1.4
216.07819	3.9
217.08521	1.0
218.09462	1.3
219.10138	2.5
221.07881	0.8
221.09827	0.8
221.11610	2.6
231.08022	0.6
231.10150	7.1
231.13721	1.3
249.11212	100.0
250.11591	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1596
Annotation	(R)-pindolol
Peak:m/z	Relative Intensity
56.05011	2.3
58.06596	27.1
66.46291	0.6
67.21725	1.0
70.06551	0.8
70.68574	0.7
79.05440	0.8
80.04971	1.0
81.36076	0.7
83.04966	0.8
84.08119	1.3
85.02876	1.0
85.07660	7.4
87.96293	0.7
88.07603	2.5
89.64613	0.7
91.05484	1.7
93.07040	1.2
98.97590	1.6
99.09190	1.4
111.04449	1.1
117.06985	0.8
119.04891	1.0
119.08588	0.8
120.08133	3.5
121.06423	0.8
122.06044	1.0
122.09644	1.8
135.04395	0.8
145.08887	0.8
146.09624	7.3
147.08023	4.0
150.05487	2.2
150.09128	2.3
159.06734	1.2
160.11171	2.6
160.12454	0.7
162.05504	1.0
163.06268	1.8
164.10657	1.8
173.08363	0.8
174.09119	24.8
177.07848	2.3
178.08687	0.9
178.12248	22.6
179.12610	0.8
188.10680	28.1
189.11122	1.0
190.17177	0.7
192.10170	25.5
193.10580	1.0
194.11690	0.8
197.01212	1.1
199.09593	0.8
204.13768	1.0
206.11743	42.9
207.12015	0.9
207.16766	0.7
214.12236	1.8
220.12111	2.0
221.16443	5.7
231.14943	9.9
232.13292	13.6
249.15956	100.0
250.14125	1.0
250.16309	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
55.01865	3.2
55.05504	3.1
59.04966	1.2
67.05506	6.5
69.03421	4.1
69.07069	5.4
70.38039	1.2
71.04991	7.4
71.23165	1.9
77.03923	2.0
78.61240	1.1
79.05486	10.2
81.07046	13.0
83.04982	3.3
85.06528	3.4
91.05471	11.7
93.07039	13.6
95.04951	7.9
95.08598	5.3
97.06528	6.0
98.98455	100.0
99.04443	27.6
99.92342	1.2
105.07028	26.0
105.07741	1.8
107.04955	5.4
107.08578	8.2
109.06492	8.4
109.10158	2.9
111.08067	1.2
113.06023	1.2
115.05451	1.6
116.99461	1.4
117.07001	8.5
119.04932	2.7
119.08553	6.9
121.06498	11.4
121.10136	3.1
125.05988	1.3
127.07544	1.6
129.06976	3.7
130.07756	5.9
131.08565	14.3
133.06487	1.6
133.10147	2.4
135.08002	2.3
135.11670	2.5
137.05981	5.8
139.07544	4.2
141.07010	2.6
143.08554	5.0
144.09340	3.6
145.06442	2.8
145.10109	53.1
147.07997	2.7
147.11646	1.6
148.08784	1.2
149.09622	1.5
151.07576	2.5
154.07797	2.3
155.08601	1.6
157.10077	1.5
158.07236	3.3
159.08023	4.3
159.11674	22.2
163.07527	3.2
163.11165	30.5
163.12440	2.2
169.10109	6.6
170.84230	1.1
172.08859	2.7
173.09612	20.5
174.99187	3.2
177.12740	2.3
179.08569	2.1
187.11162	48.4
190.06201	1.3
191.10675	14.4
197.09607	4.0
205.12207	26.1
215.10637	23.5
233.11691	15.3
233.15355	2.2
239.41455	1.1
251.06935	1.5
251.12590	10.8
251.18143	2.7
265.95432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03926	2.6
54.33146	1.3
55.01860	5.5
55.05497	6.5
57.03426	3.6
57.07073	2.1
59.90420	1.5
65.03927	1.5
67.05495	16.6
68.99773	1.5
69.03419	4.7
69.07065	7.8
69.60732	3.4
69.61111	3.2
71.04986	17.4
77.03918	2.3
79.05477	27.4
81.03398	2.4
81.07050	51.0
83.04975	13.3
85.02892	1.8
85.06532	4.6
91.05470	34.7
93.07031	42.5
95.04948	20.1
95.08588	11.3
97.02888	3.5
97.06527	9.6
98.23441	2.7
98.98457	68.4
99.04444	19.0
103.05444	2.9
105.04479	1.8
105.07015	42.0
107.04945	15.7
107.08593	15.8
109.06511	48.7
109.10170	3.2
111.04427	4.4
111.08042	3.9
113.06010	2.1
115.05475	2.9
116.99608	2.0
117.07008	27.5
119.04922	13.8
119.08564	13.7
121.06491	19.6
121.10120	6.3
123.04406	1.9
123.08070	2.1
125.05985	5.9
127.07574	3.1
128.06238	2.8
129.06958	10.7
130.07787	10.7
131.04910	2.8
131.08557	37.2
132.05795	1.4
133.06488	6.5
133.10083	3.3
135.08029	18.6
135.11674	12.2
137.05956	48.3
139.07545	8.5
141.06984	3.7
143.08578	10.8
144.09319	5.3
145.06447	12.0
145.10112	100.0
146.10484	2.5
147.08012	9.9
147.11673	6.4
149.05983	2.3
149.09633	7.0
151.07526	4.6
153.05453	2.7
153.09094	2.0
154.07719	3.4
155.08543	5.7
157.08646	2.5
157.10023	2.9
158.07228	5.0
159.08057	9.2
159.11664	30.2
161.09688	7.4
161.13220	2.0
163.11166	29.1
169.10123	10.6
172.08861	3.9
173.05945	1.8
173.09602	37.5
174.99232	3.5
177.09077	1.7
179.08543	3.4
181.12189	8.7
182.07208	2.9
187.11162	42.0
187.14763	13.7
189.09126	2.1
191.10645	37.5
197.09576	11.2
205.12236	21.4
213.44594	1.5
215.10661	36.1
215.14317	4.1
233.11696	29.4
233.15305	19.7
251.10445	1.3
251.12772	21.3
251.16202	10.7
253.37708	1.5
255.58412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
54.47342	1.6
54.59169	1.7
55.01867	4.3
55.05507	8.2
56.55437	1.7
57.03412	2.1
59.53218	1.7
65.03908	2.2
67.05488	14.2
68.99792	2.3
69.03418	5.0
69.07052	14.5
69.89424	2.6
69.89749	3.9
71.04988	6.8
77.03925	3.0
79.05480	32.1
81.03458	1.9
81.07050	54.0
83.04963	6.0
85.06542	2.7
91.05466	19.7
93.07032	57.2
95.04961	15.6
95.08590	30.7
97.02863	4.6
97.06490	9.8
98.22816	2.6
98.98454	100.0
99.04455	11.9
103.05473	2.3
105.07011	37.0
107.04922	19.0
107.08584	37.5
107.09267	3.4
109.06506	27.0
109.10172	6.2
111.04444	2.6
111.08086	2.7
113.06002	3.7
115.05492	2.5
115.11567	2.0
116.99557	1.8
117.07030	9.6
119.04915	8.7
119.08564	12.7
121.06493	28.8
121.10148	12.8
121.12000	1.8
122.80766	1.8
123.04388	2.3
123.08052	2.7
125.05972	15.2
128.06157	1.7
129.06979	3.6
130.07755	5.2
131.08560	11.1
133.06485	6.2
133.10075	2.9
134.77141	1.9
135.08029	9.3
135.11662	39.6
137.05962	21.9
137.13271	2.2
139.07545	7.3
141.06975	4.0
143.08537	7.6
144.09277	4.6
145.06458	4.5
145.10104	56.4
146.10448	2.1
147.07985	3.8
147.11670	6.1
149.09508	2.5
154.07782	3.1
155.08514	5.1
157.10043	2.0
158.07237	4.4
159.08047	7.3
159.11668	23.7
160.11935	2.4
161.09677	1.8
161.94968	1.9
163.11163	80.7
169.10112	6.9
171.07996	2.6
171.11746	2.7
172.08821	2.4
173.09584	24.6
174.99294	2.0
177.12704	3.6
179.08562	4.1
181.12199	55.8
187.11169	29.9
189.12781	3.8
191.10614	10.8
191.14256	2.9
197.09575	10.2
205.12192	18.8
215.10645	30.1
215.14151	2.1
227.12732	13.1
229.52795	1.9
233.11691	23.4
233.15434	4.7
237.20116	1.9
251.10580	3.2
251.12724	11.4
251.16350	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	251.1278
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.41591	1.3
55.01864	2.4
55.05504	5.0
55.83234	1.2
59.05001	1.3
64.99992	1.3
67.05494	7.7
67.22588	1.2
69.03422	3.5
69.07056	5.1
71.04987	7.4
71.43638	1.2
79.05489	12.4
81.07051	12.9
83.04981	2.1
85.06567	2.7
91.05457	12.8
93.07040	13.2
95.04957	8.8
95.08601	3.7
97.06523	6.7
98.98457	100.0
99.04444	27.9
105.07022	23.7
107.04955	4.4
107.08588	8.0
109.06502	9.5
113.06036	2.5
115.05441	2.6
116.99494	1.5
117.07014	9.2
119.04955	5.4
119.08581	6.8
121.06500	11.6
121.10163	3.5
125.05953	3.6
128.06227	3.3
129.07019	5.6
130.07779	5.2
131.08568	16.2
133.06476	3.1
133.10126	3.8
135.08028	2.8
137.05980	5.2
139.07532	5.1
140.95108	1.3
141.06908	2.3
142.07751	1.9
143.08565	5.9
144.09317	4.6
145.06476	3.2
145.10109	56.6
147.08138	1.9
149.09674	2.1
151.07555	2.2
154.07745	3.4
155.08546	2.2
157.08629	1.4
157.10150	3.7
158.07301	2.3
159.08029	4.8
159.11691	18.3
163.07576	2.6
163.09825	1.0
163.11172	27.9
169.10042	6.6
172.08817	1.9
173.09593	20.4
174.99229	3.1
175.07481	1.4
177.12753	2.3
187.11159	45.4
189.12762	1.5
191.10635	9.4
197.09615	3.0
205.12233	26.6
215.10641	24.3
233.11713	16.6
233.15308	3.1
251.12733	11.5
251.18127	3.4
251.20354	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48750	0.5
53.03932	0.9
55.01867	1.5
55.05511	2.7
57.03438	0.8
58.57122	0.5
61.93029	0.5
62.91813	0.5
64.97820	0.6
65.03934	0.7
67.05503	3.8
69.03422	2.3
69.07064	3.4
70.50704	0.7
71.05001	3.3
71.58526	0.5
77.03908	0.7
79.05486	9.6
81.03420	0.7
81.07051	15.8
83.04966	2.7
83.08587	0.9
85.02888	0.6
85.06546	1.0
91.05473	7.0
93.07037	15.9
95.04962	6.7
95.08601	8.5
97.02882	1.1
97.06527	4.8
98.98457	100.0
99.04461	4.3
103.05464	1.0
105.03369	1.6
105.07017	10.1
107.04958	4.5
107.08583	10.3
109.06510	10.9
109.10145	2.3
111.04440	1.4
111.08080	1.1
113.06023	1.2
115.05457	1.0
116.99493	2.4
117.07001	4.3
119.04927	3.1
119.08553	5.3
121.06498	7.0
121.10145	3.9
123.08061	1.2
125.05968	3.6
127.07552	1.1
128.06146	0.8
129.07002	1.8
130.07762	1.5
131.08543	4.5
133.06480	2.8
133.10110	2.1
135.08049	3.8
135.11678	8.8
137.05960	9.7
137.09584	2.0
138.06235	0.6
139.07504	2.1
139.11241	0.7
141.06917	0.7
143.08559	2.9
144.09335	1.3
145.06480	2.2
145.10107	17.0
145.11221	1.2
147.08049	1.2
147.11703	2.1
149.05923	1.0
149.09581	1.1
149.13220	0.8
151.07491	0.8
154.07838	0.7
155.08577	1.2
158.07237	1.1
159.08044	2.4
159.11676	7.5
161.06020	0.9
161.09610	0.8
163.07549	1.0
163.11176	18.8
169.10114	2.3
171.11633	1.1
172.08780	0.6
173.05905	0.8
173.09621	7.3
174.99214	3.2
175.11163	1.1
177.05484	0.6
177.12714	1.3
181.12204	10.8
182.07236	1.1
187.11159	10.6
191.06944	1.4
191.10600	3.3
191.14317	0.9
197.09613	1.8
205.08586	0.7
205.12212	5.5
205.15898	0.7
214.93190	0.5
215.10666	8.5
227.12715	2.5
233.08009	0.7
233.11720	7.4
233.15381	2.4
234.12038	1.0
241.18358	0.6
251.10593	0.9
251.12621	4.1
251.16357	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	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.75334	0.5
54.45047	0.4
55.01886	0.7
55.05506	3.2
57.03446	1.3
57.07088	1.5
59.05016	1.2
67.05500	4.8
69.03442	2.0
69.07074	3.0
70.93164	0.6
71.04987	1.4
74.60312	0.5
79.05490	4.7
81.03435	1.5
81.07051	7.0
83.04978	2.1
83.08630	2.1
85.02914	0.6
85.06538	0.7
91.05472	7.1
93.07040	6.7
95.04957	3.1
95.08595	5.6
97.06528	1.9
98.98457	100.0
99.04451	1.0
103.05450	0.7
105.04520	0.8
105.07018	9.0
107.04923	1.1
107.08591	7.6
109.06516	3.6
109.10143	2.5
111.08070	0.9
113.05945	0.7
115.05435	1.0
116.99507	2.6
117.07016	4.7
119.08579	6.3
121.00282	0.5
121.06499	3.8
121.10144	7.1
123.08030	3.0
123.11658	1.4
128.06255	0.9
129.07014	3.7
130.07722	1.7
131.08556	9.4
133.06523	0.6
133.10092	2.5
135.07077	0.5
135.08040	7.4
135.11650	2.3
137.05937	2.0
137.09576	1.9
139.07474	0.7
141.06944	1.1
141.72104	0.5
142.07724	2.1
143.08578	4.0
144.09218	1.7
145.06429	2.2
145.10109	22.2
146.10368	0.7
147.08037	3.5
147.11636	2.0
149.06024	0.6
149.09575	3.1
149.13170	1.4
151.07478	1.7
153.06924	0.7
154.07756	1.0
155.08553	2.9
157.10107	4.6
158.07268	1.1
158.10814	0.9
159.08034	4.5
159.11665	3.3
160.08728	1.8
161.09532	2.0
161.13124	0.9
163.07463	1.2
163.11142	2.9
163.14760	1.5
165.08980	0.7
167.08463	1.1
169.10083	1.4
171.07898	0.7
171.11595	1.7
172.08705	0.6
172.12454	1.0
173.09610	10.3
173.13133	1.9
174.99226	2.6
175.11198	2.9
177.08957	1.9
177.12677	1.4
181.10028	1.2
182.10747	1.4
185.09479	0.9
186.10416	1.1
187.11160	3.2
187.14810	8.3
189.09016	1.1
189.12718	4.0
191.10672	2.9
191.14194	2.5
195.11578	1.4
197.13103	2.3
200.11816	1.5
203.14166	0.6
205.12053	1.3
205.15846	3.9
209.13135	1.1
215.10587	0.8
215.14293	15.0
216.14594	0.8
221.09413	0.5
233.11444	1.1
233.15335	25.9
233.18768	1.0
234.15459	0.7
236.15434	0.7
251.08951	1.2
251.12212	2.2
251.16150	23.9
252.16354	0.7
259.24228	0.6
265.86130	0.8
269.12012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85134	0.4
65.89226	0.5
70.02931	0.8
79.05493	0.6
85.46283	0.4
87.00809	2.7
91.05463	1.3
93.07030	1.7
98.98456	39.2
100.21180	0.5
100.98919	0.6
103.05454	6.5
107.04945	0.7
116.99513	1.3
118.06532	8.3
120.08091	100.0
121.08427	1.7
128.04959	0.8
136.06178	2.4
137.05920	0.7
143.40540	0.4
146.05992	18.0
164.07050	0.7
166.08691	2.2
174.99156	0.7
179.07054	1.4
188.07034	17.3
188.08675	1.0
190.50687	0.5
192.06589	0.8
197.29866	0.4
198.58841	0.5
206.08101	59.5
207.08432	1.1
216.06714	0.5
234.07634	0.9
234.13487	0.5
252.08685	1.5
252.14444	0.8
262.39990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05999	0.8
53.81299	0.7
56.96573	1.1
57.03424	1.1
57.07060	1.2
65.03952	0.8
67.05480	3.8
69.03423	2.3
69.07051	1.1
71.04987	1.2
79.05495	0.9
81.03390	0.8
81.07055	0.8
85.06540	3.1
87.00820	14.9
87.04451	1.9
91.05471	1.1
93.07031	0.8
95.04936	4.4
95.06066	0.7
95.08597	1.0
96.36828	0.8
98.98457	100.0
100.98846	1.2
103.07592	1.6
105.01858	9.8
110.06055	1.0
110.07159	2.4
112.87607	0.9
113.05993	7.6
116.99491	3.2
123.08008	0.8
125.09715	0.8
131.07065	1.5
136.06175	14.6
156.07593	0.8
163.00676	0.8
165.01846	2.6
174.99110	1.7
176.98944	1.0
189.07555	1.0
191.86826	0.7
193.01320	4.7
193.13330	1.0
207.02878	2.3
217.07057	18.5
234.07651	1.4
234.11299	1.0
252.08569	1.1
252.20584	1.5
253.15244	1.3
265.50745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	21.0
55.05499	0.7
56.70032	0.5
57.03423	3.7
65.03918	1.1
67.05504	1.0
67.21175	0.5
69.07053	1.1
70.01740	1.3
71.04945	0.6
75.04453	1.2
79.05484	2.1
81.07056	1.5
84.57748	0.6
85.06575	0.6
91.05471	22.0
93.07042	1.0
95.04980	3.6
95.08558	0.8
97.06532	0.9
98.98456	78.2
100.98876	0.8
103.05488	3.2
105.07026	15.0
107.04932	2.1
107.08620	0.7
109.05201	0.5
109.06470	1.0
109.10169	0.9
115.05440	3.0
116.99491	2.2
118.04140	3.3
119.04932	32.7
119.08547	0.8
120.08084	2.4
121.06505	0.7
121.08427	5.2
123.04436	2.5
129.06970	1.1
131.04893	1.5
131.08545	0.7
133.06476	14.4
133.10112	0.8
135.04385	0.8
135.07948	0.6
136.05194	3.9
137.05960	2.5
146.03619	13.4
146.06046	0.7
147.04390	64.8
148.04710	1.0
149.05991	1.1
151.07585	1.4
156.01404	0.6
157.09995	0.6
161.05959	59.0
162.06322	0.9
163.03810	0.7
164.04657	3.8
171.11668	0.9
174.99214	1.8
176.98846	1.2
177.05409	0.8
179.07007	100.0
180.07280	1.8
180.50435	0.5
181.74052	0.6
189.07372	1.1
189.08997	0.8
207.08485	4.0
215.24075	0.7
217.08527	0.7
217.12090	0.7
235.09706	0.8
235.13103	0.8
253.10562	6.0
253.14526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88242	0.3
56.05026	1.4
63.99685	0.3
69.82076	0.8
69.89959	0.2
75.04329	0.3
84.04494	34.3
85.02882	0.7
91.15069	0.3
92.05009	1.5
98.98453	14.1
102.05534	0.5
109.05247	24.3
122.80241	0.3
124.07575	100.0
125.07887	1.1
130.04985	6.9
176.99001	0.4
189.10182	0.3
190.08530	0.4
207.11401	0.3
236.09138	3.4
237.16707	0.3
253.11739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03935	1.4
55.01857	3.3
55.05502	5.1
57.03426	1.8
57.07079	1.6
58.12294	0.8
65.03922	1.3
67.05504	10.5
69.03424	3.5
69.07057	8.4
69.28246	5.8
71.04990	10.9
77.03922	1.7
79.05485	18.2
81.03397	1.4
81.07051	33.7
83.04964	6.0
83.08583	1.1
85.02885	1.5
85.06557	4.9
91.05478	15.4
93.07038	33.0
94.44486	1.0
95.04967	10.5
95.08596	13.7
97.06525	15.1
98.23436	2.2
98.98459	100.0
99.04456	5.0
101.06036	1.1
103.05460	1.3
105.07022	26.7
107.04952	4.8
107.08585	17.1
109.06518	21.3
109.10147	7.1
111.04373	1.7
111.08055	3.4
113.05994	3.8
115.07515	1.1
116.99497	1.4
117.06996	2.7
119.04926	1.9
119.08570	17.1
121.06493	55.3
121.10155	5.8
122.06807	1.2
123.04396	3.6
123.08040	6.5
123.11687	2.4
125.05969	3.5
125.09619	2.7
127.07552	8.1
128.06248	2.1
129.07011	3.9
131.08540	7.2
133.06509	2.4
133.10104	12.6
135.04395	3.0
135.08037	6.1
135.11673	2.5
137.05966	3.6
137.09602	2.8
139.07535	10.5
141.05458	2.2
142.07758	3.7
143.08549	6.7
145.06412	1.2
145.10091	7.2
147.08047	4.4
147.11673	22.8
149.09625	3.7
149.13275	1.1
151.07558	1.8
151.11186	1.6
155.08592	1.9
156.09258	2.2
157.06450	2.1
157.10107	12.6
159.11621	1.7
159.36414	0.9
161.05972	1.2
161.09628	2.5
161.13249	8.3
163.11186	1.3
163.14877	1.2
165.06938	5.0
165.12738	4.7
166.07726	2.8
171.11690	12.1
173.09633	2.9
173.13246	1.9
175.11189	13.3
178.07771	1.0
179.08441	1.2
179.10677	1.1
181.04947	1.6
181.06468	1.2
181.10094	3.2
182.07285	1.7
184.08856	1.6
189.12708	16.4
193.06491	2.1
193.10143	3.2
193.12219	10.6
199.11136	18.3
207.13832	7.4
210.06738	4.3
210.18460	1.7
211.07622	1.0
211.13257	1.5
217.12218	48.3
217.15547	2.2
218.12538	2.0
221.05954	1.7
221.09592	3.4
225.09143	3.6
235.13266	28.7
235.16927	3.1
238.06207	2.0
246.47298	1.0
253.08545	9.1
253.12137	12.8
253.14415	11.8
253.17863	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
50.14432	1.1
55.01872	5.6
55.05511	7.9
65.03922	2.1
67.05167	1.3
67.05499	16.1
69.03423	3.7
69.07071	6.4
69.60436	4.5
69.60785	1.7
71.04978	9.2
77.03918	2.4
79.05485	25.9
81.07052	49.2
83.04977	6.6
83.08637	2.4
85.06535	5.7
90.32950	1.5
91.05475	17.0
93.06449	2.5
93.07034	43.0
95.04959	13.9
95.08602	16.1
97.06523	16.2
98.22653	2.1
98.98455	43.9
99.04432	6.3
99.08065	1.3
101.06021	1.4
105.07018	28.8
107.04945	5.7
107.08586	24.7
109.06512	37.2
109.10136	6.4
111.04407	1.9
111.08046	2.9
113.05984	5.5
115.05412	1.6
117.07002	2.8
119.04935	2.7
119.07771	1.4
119.08569	19.2
121.06497	100.0
121.10107	5.9
123.04405	5.1
123.08073	6.2
123.11679	2.5
125.05988	4.1
127.07542	18.7
128.06219	3.3
129.06975	6.7
131.08536	5.7
133.06476	3.3
133.10126	10.3
135.04399	4.8
135.08052	10.7
137.05969	4.3
137.09596	3.1
139.07532	16.0
141.05380	1.9
141.06975	2.6
142.07756	3.9
143.06999	1.4
143.07475	1.3
143.08562	12.2
145.10115	7.8
147.08043	4.0
147.11676	26.3
149.09677	1.2
151.07527	1.8
153.06992	2.0
155.08536	4.2
156.09329	5.2
157.06520	1.8
157.08766	2.2
157.10098	17.3
159.08057	2.7
161.09636	2.4
161.13232	13.1
163.14813	1.6
165.07022	3.5
165.12764	4.7
166.07767	5.3
167.08481	1.5
169.10114	3.8
169.70015	1.2
171.08055	2.0
171.11665	17.8
173.09575	3.2
173.13226	1.8
175.11182	18.3
178.07744	1.6
179.07083	1.4
179.08528	3.6
181.06525	1.4
181.10083	6.6
183.08025	1.7
183.11734	3.6
184.08739	1.5
189.12715	22.7
191.10567	1.6
193.01366	2.0
193.12228	15.8
195.11720	2.0
197.09572	2.8
197.13266	3.5
199.11162	34.4
200.11539	1.3
207.08057	5.4
207.13776	9.6
209.09653	2.5
209.11546	1.2
210.06651	1.4
211.07520	5.2
211.13210	1.9
217.12215	81.0
218.12567	1.8
225.09117	3.4
235.13254	35.2
238.06169	2.2
238.13403	2.0
253.08580	18.9
253.14235	10.5
253.16040	7.4
253.19772	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	253.1432
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03929	1.8
54.38066	1.0
55.01860	5.1
55.05501	7.1
59.04987	0.9
60.21664	0.8
67.05505	8.1
69.03403	2.6
69.07051	6.7
71.04990	5.9
77.03914	1.5
79.05483	20.5
81.03405	1.6
81.07047	30.9
83.04987	4.5
83.08604	3.2
85.06541	4.8
91.05465	16.4
93.07034	43.6
95.04962	8.5
95.08580	11.6
97.06522	11.6
98.98457	100.0
99.04450	12.5
99.08078	1.2
101.05981	1.6
105.04474	0.9
105.06342	1.8
105.07020	26.9
106.07349	1.0
107.04944	1.6
107.08582	19.6
109.06505	17.1
109.10119	3.6
111.04394	1.5
111.08029	3.4
112.93705	1.2
113.05945	2.4
116.99483	2.5
117.06989	2.9
119.04882	1.4
119.08573	18.8
121.06490	36.4
121.10144	7.6
123.04379	2.8
123.08027	3.5
123.11682	2.6
125.05987	2.5
127.07528	11.3
128.06200	2.3
129.05479	1.4
129.06995	5.1
131.08565	6.9
133.06514	2.3
133.10112	13.5
135.04395	1.9
135.08047	11.3
137.05988	2.5
137.09579	1.9
139.07529	12.4
141.05447	3.0
141.06940	1.6
142.07805	4.5
143.08537	9.3
143.76804	0.9
145.06438	1.3
145.10133	6.5
147.08022	3.8
147.10593	1.8
147.11681	26.9
149.09613	1.2
151.07442	1.1
154.07825	1.4
155.08521	2.5
156.09331	3.0
157.10120	18.6
159.11661	2.3
160.08821	1.2
161.06026	1.8
161.09525	2.4
161.13271	8.0
165.07001	2.1
165.09024	1.1
165.12726	7.6
166.07782	1.4
166.15938	1.4
167.08496	1.0
169.10201	1.7
171.11694	14.7
173.09628	2.3
173.13249	2.2
174.99318	1.3
175.11166	17.7
181.10059	2.7
183.11665	1.4
184.08803	1.6
189.12738	16.9
191.14261	1.2
193.12172	6.9
197.11601	1.3
199.11166	19.8
199.14745	1.5
207.13753	8.2
210.06770	1.4
210.18510	3.1
217.12213	55.0
218.12598	2.2
221.05878	1.4
225.09033	1.0
235.13263	51.4
235.16896	3.3
235.21732	1.1
236.13573	1.0
253.08612	7.9
253.14145	46.1
253.19682	9.2
253.22144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
51.58368	0.8
51.84340	0.8
53.03929	1.6
53.85022	0.8
55.01857	5.2
55.05505	7.6
56.35656	0.7
57.07061	1.8
65.03917	1.0
67.05498	8.4
69.03416	2.5
69.07057	7.4
70.34472	2.0
71.04988	6.6
77.03953	0.8
79.05486	20.2
81.03380	1.2
81.07047	31.6
83.04974	5.7
83.08604	3.3
85.06534	4.2
86.72400	0.8
91.04945	1.0
91.05476	13.2
93.07033	40.5
95.04956	7.0
95.08598	11.2
97.06526	11.5
97.10193	1.0
98.98456	100.0
99.04440	10.8
100.98907	1.7
101.05994	1.8
103.05444	1.0
105.04485	1.1
105.06348	1.5
105.07018	24.8
107.04942	4.0
107.08583	21.8
109.06509	16.9
109.10162	5.6
111.08044	2.8
113.05972	2.7
115.05434	0.8
116.99496	3.0
117.06997	3.4
119.04863	1.2
119.06096	0.9
119.08565	17.8
121.06495	37.2
121.10120	6.7
123.04408	1.3
123.08041	2.8
123.11680	1.9
125.05976	2.0
127.07530	8.8
128.06200	2.3
129.05486	1.7
129.07018	5.5
131.08556	5.1
133.06480	3.6
133.10114	13.7
135.04344	1.3
135.08032	13.7
135.11633	2.1
137.05978	4.3
137.09584	2.6
139.07532	10.0
141.05437	2.2
141.06958	1.1
142.07759	3.4
143.08563	7.1
145.06508	0.9
145.10112	7.8
147.08028	4.3
147.11668	26.4
149.09680	1.5
155.08516	2.0
156.09302	2.7
157.10103	16.1
159.11711	1.8
160.08722	0.9
161.06030	1.0
161.09601	1.9
161.13252	7.6
165.06960	1.4
165.09100	0.8
165.12730	8.3
166.07787	2.1
171.11670	13.3
173.09581	2.1
173.13225	1.7
174.99281	1.1
175.11177	15.7
175.14806	1.1
176.98920	1.7
177.12694	1.5
179.10628	1.0
181.10062	2.4
183.02834	3.2
183.11742	0.9
189.12711	18.3
193.06496	1.3
193.12178	6.3
197.09688	0.8
197.13229	1.8
199.11159	16.3
206.09512	0.7
207.11908	1.5
207.13747	9.4
210.06769	0.8
210.18518	2.8
217.12224	47.8
217.15529	1.4
218.12547	1.3
221.05936	1.3
225.08998	1.6
225.16328	1.2
225.21667	0.9
235.13242	45.6
235.16985	3.1
236.13634	1.2
251.34195	0.8
253.08574	6.4
253.14134	47.7
253.19954	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	4.0
58.06584	3.2
60.12894	2.6
61.02911	8.6
69.58128	9.0
69.58501	5.3
70.06586	4.4
71.01333	12.3
71.04978	5.6
72.08152	5.8
75.04475	18.2
81.07024	5.9
84.08139	6.5
87.04446	4.9
95.08607	4.4
95.52463	2.9
98.09688	3.9
98.98457	100.0
98.99094	4.9
102.40583	2.9
103.03927	27.0
110.07178	4.1
114.84768	2.9
124.11196	22.4
126.11301	2.7
126.12786	11.0
131.03384	5.6
134.54866	3.3
137.05878	4.2
153.05493	3.8
159.02876	66.3
188.94627	2.8
194.01436	3.1
194.08041	4.7
204.27510	3.2
209.20103	5.7
210.14920	8.3
211.78696	3.0
219.04985	100.0
219.07121	5.1
254.10248	9.3
254.14024	4.9
254.17569	4.8
255.12128	4.3
255.20638	16.9
270.97638	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04695	0.7
56.96532	2.1
60.08158	4.5
60.43819	0.8
69.03384	0.8
69.99059	2.5
70.06550	1.5
81.03361	0.7
88.05247	0.7
91.05412	0.7
93.03397	1.3
95.06052	0.8
98.97554	2.5
98.98462	9.9
108.48273	0.7
110.07115	1.5
111.04427	1.4
116.98615	1.0
120.08063	1.0
121.02657	1.1
121.08404	3.0
123.05508	1.6
124.03693	23.6
125.05949	2.3
131.21304	0.7
144.70268	0.7
149.05936	4.9
153.05434	6.2
156.06252	4.4
163.12357	1.0
166.02831	1.1
167.11691	1.2
170.05957	0.7
189.05527	1.1
195.06506	4.1
195.11275	4.6
213.05965	0.7
222.07344	100.0
223.07661	2.1
231.07530	3.0
232.06062	0.8
241.36942	0.8
249.08850	1.0
254.09982	31.6
254.13847	1.7
254.16000	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	254.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07890	0.5
56.96565	1.0
60.08159	83.2
65.03929	5.1
69.77488	2.4
71.08439	0.8
80.08730	0.6
91.05470	8.0
93.03394	24.0
97.06547	0.7
98.22749	1.3
98.98468	6.6
103.05479	0.7
107.04931	1.1
110.03646	1.9
111.04428	17.3
111.05170	1.1
116.98534	0.6
117.03407	1.1
119.04948	4.9
121.06510	2.3
124.11239	0.6
125.05975	42.4
126.06330	0.6
127.65953	0.7
134.03651	1.4
137.81717	0.7
142.17770	0.6
149.05966	86.4
150.06343	1.9
150.57256	0.6
151.07529	1.3
153.05452	100.0
154.05833	0.7
163.03944	1.3
177.05464	6.9
195.06509	61.6
196.06763	1.0
249.62502	0.6
254.13847	37.2
255.14217	0.8
255.20271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03922	2.6
55.01853	3.4
55.05502	28.3
57.03431	51.5
57.07048	4.6
57.48644	1.2
61.68288	1.3
62.98221	1.2
65.03906	3.7
67.05495	78.2
68.99677	1.1
69.06721	1.8
69.07060	24.3
71.01342	7.4
71.04993	9.2
75.86242	1.2
77.03906	1.6
79.05482	67.5
81.03414	8.4
81.07048	36.0
83.04533	1.4
83.04972	18.7
83.08598	5.8
85.06532	7.6
91.04949	1.7
91.05464	23.9
93.07031	81.0
95.04962	9.8
95.08594	13.1
97.06511	22.3
97.10154	22.5
98.98452	21.6
99.08070	2.8
105.04509	2.6
105.07001	6.5
107.08579	54.1
109.10133	10.6
111.08095	2.4
117.07008	7.0
119.08544	10.4
121.06465	2.6
121.10126	11.0
125.09595	6.3
133.10091	5.6
135.08031	2.2
135.11673	100.0
137.09550	3.7
143.08493	1.6
145.10114	17.6
153.12720	2.3
163.11151	11.9
181.12202	17.0
199.13260	1.9
255.15813	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01868	3.5
55.05504	31.5
57.03436	53.2
57.07079	5.9
67.05499	87.4
69.03418	2.3
69.07066	29.3
70.06585	4.5
71.01345	6.0
71.04979	6.0
71.08645	2.3
71.42799	1.9
72.11677	1.9
79.05487	82.0
81.03408	10.6
81.07050	38.7
82.49238	1.6
83.04966	22.9
83.08610	6.3
85.06549	4.5
88.07622	7.9
91.05476	37.5
93.06448	4.4
93.07038	86.8
95.04962	11.5
95.08607	12.2
97.06522	20.8
97.10147	17.0
98.98457	26.3
99.08090	2.3
102.09169	5.6
105.07030	6.1
107.08584	61.8
109.06491	2.5
109.10151	10.0
111.08070	5.7
113.96314	1.7
117.07003	9.4
119.08593	11.5
119.90430	2.1
121.06477	2.8
121.10125	12.3
125.09580	3.4
129.06999	2.0
133.10114	5.4
135.08089	4.6
135.11682	100.0
137.09622	4.3
145.10117	15.4
153.12776	3.8
163.11226	13.7
181.12189	13.8
255.13135	2.7
255.15785	48.9
256.26334	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03944	2.0
55.01874	4.0
55.05509	27.6
57.03436	55.7
57.07065	9.1
58.06596	2.1
67.05503	99.4
69.03439	2.2
69.07068	29.4
69.12070	11.8
70.06590	7.4
71.01347	7.1
71.05000	9.4
71.08639	2.9
79.05490	90.9
81.03408	11.2
81.07057	39.3
83.04981	30.0
83.08616	8.4
85.06537	7.9
86.06063	4.9
88.07636	7.0
90.87777	2.3
91.05478	33.3
93.07042	91.2
94.52412	1.8
95.04971	13.5
95.08616	13.2
97.06534	22.8
97.10150	19.8
98.23657	2.2
98.98473	27.2
99.08077	2.2
100.07637	9.6
101.07946	3.6
102.09182	6.6
105.04510	3.9
105.07052	8.0
107.04941	2.7
107.08588	61.4
109.06496	2.1
109.10128	12.9
111.08075	5.4
115.49883	2.4
117.07033	9.8
119.08583	12.1
121.06422	2.3
121.10165	13.7
125.09580	3.4
129.07001	2.4
133.10138	7.6
135.11685	100.0
137.09641	6.0
143.08534	3.5
145.10110	17.5
153.12769	4.8
163.11182	15.1
181.12213	15.5
254.24834	13.5
255.15808	62.7
255.25095	18.0
256.26376	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01873	4.1
55.05508	30.6
57.03433	59.4
57.07064	3.7
58.20781	0.9
65.03920	3.0
67.05500	80.7
68.10078	0.7
69.03420	1.6
69.07063	29.3
71.01353	6.9
71.04994	9.7
71.43722	0.8
77.03903	2.0
79.05486	77.2
80.05812	0.9
81.03019	0.8
81.03409	8.0
81.07050	39.0
83.04974	22.3
83.08601	5.7
85.02881	3.2
85.06531	6.6
85.93752	0.8
91.05472	31.4
93.07036	85.1
94.28517	0.7
95.04963	10.0
95.08021	1.1
95.08596	14.6
97.06527	21.8
97.10163	20.1
98.98459	16.9
98.99424	1.1
99.04394	1.5
99.08056	3.3
99.98474	0.7
103.05408	0.9
104.95692	0.8
105.04457	2.4
105.07026	8.3
107.04916	3.4
107.08586	54.7
109.06503	2.3
109.09535	1.0
109.10146	12.4
111.08039	3.3
111.11694	4.6
113.06002	1.0
115.05441	1.4
117.07014	7.6
119.06097	0.8
119.08562	9.6
121.06448	2.8
121.10128	12.7
123.11668	0.9
125.05962	0.9
125.09608	5.2
129.07074	1.0
130.07765	2.1
131.08496	1.7
133.06476	1.0
133.10118	7.4
135.08012	2.8
135.11679	100.0
136.11990	2.0
137.09576	2.2
139.11128	1.4
143.08562	1.4
145.10107	17.5
149.13261	1.0
151.07524	2.0
153.12723	5.1
159.11674	1.3
163.09933	1.2
163.11156	14.7
165.07007	0.8
167.08476	0.8
171.11662	0.8
173.13255	0.9
181.04839	1.0
181.12215	18.3
192.10602	0.8
193.08643	1.8
195.07991	0.9
195.11732	0.8
199.13217	1.6
207.45071	0.7
211.09605	1.7
227.07028	0.8
227.10590	1.9
237.18477	0.8
255.06435	1.4
255.09972	2.8
255.15814	34.6
255.21379	1.6
256.16193	1.6
269.96243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57119	1.3
55.01873	3.8
55.05510	26.1
57.03433	58.6
57.07073	3.8
65.03922	1.5
67.05500	70.4
69.03427	2.7
69.07062	26.5
69.07437	2.1
69.77930	4.7
71.01350	9.2
71.04989	7.5
75.71613	1.3
79.05486	69.4
81.03423	8.9
81.07048	37.1
81.07432	1.1
83.04980	19.8
83.08633	8.5
85.02905	2.8
85.06532	7.3
91.05470	24.3
93.07036	77.8
95.04967	9.8
95.08610	17.2
95.67333	1.4
97.06525	24.9
97.10161	21.9
98.98456	28.5
99.08103	3.5
100.98875	2.5
105.07053	8.8
107.04948	2.5
107.08585	51.4
108.08929	1.5
109.06518	2.4
109.10159	13.7
111.04445	1.8
111.08070	4.8
111.11713	1.7
115.05387	1.5
117.06990	6.6
119.08580	10.7
121.06491	3.1
121.10126	11.3
125.06002	1.4
125.09622	3.0
129.06998	1.6
133.10129	8.6
135.08131	2.1
135.11681	100.0
137.09637	3.1
145.10107	18.9
147.11719	1.6
153.12776	3.2
153.95201	1.3
159.11630	2.1
163.11150	14.3
171.11700	2.3
179.24577	1.3
181.12242	18.0
199.13188	1.7
228.34969	1.4
237.16527	1.6
255.06502	7.6
255.13652	1.8
255.15762	41.3
255.21086	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	255.159
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.88084	1.5
55.01870	9.0
55.05508	17.9
57.03436	17.8
57.07065	6.4
65.03951	2.4
65.27870	1.4
67.05499	34.5
69.03426	6.0
69.07066	25.2
70.95991	2.0
71.04994	25.7
71.08630	10.3
79.05490	25.1
81.03402	3.4
81.07054	27.0
82.94312	1.5
83.04962	8.4
83.08598	2.9
85.02900	100.0
85.06544	5.7
85.10187	9.3
86.06062	1.6
87.04468	8.2
91.05472	13.9
93.07043	41.9
95.04979	5.8
95.08601	81.7
96.26542	1.8
97.02888	5.1
97.06525	13.0
98.98457	21.1
99.04451	22.3
99.08096	9.0
101.02379	3.7
103.03932	3.6
105.07037	10.3
107.04940	3.9
107.08590	11.4
109.06502	4.1
109.10150	18.8
111.04431	4.4
111.08046	4.3
111.11694	1.9
113.05994	2.4
113.09641	9.8
115.03930	4.0
117.07008	7.0
119.08609	8.7
121.06509	7.4
121.10136	25.7
123.08087	3.2
123.11716	2.1
125.02321	3.9
125.05985	4.4
125.09624	4.1
127.03916	3.7
129.07027	2.0
131.08569	9.1
132.29134	1.4
133.10126	3.6
135.08044	5.2
135.11714	9.3
137.05994	3.0
137.09612	9.2
137.13318	1.8
138.09099	13.4
139.07556	9.1
139.11176	18.9
141.05460	2.0
145.10162	5.0
147.11653	2.4
149.05951	3.9
149.09645	4.9
149.13226	2.0
151.07555	2.8
151.11259	1.6
153.01869	8.4
153.12729	9.2
157.10077	3.4
159.11682	14.7
163.07512	1.6
167.07043	1.9
173.13239	9.4
177.09145	2.0
177.12759	4.6
183.11729	2.2
191.14262	7.6
192.10211	3.4
194.11700	2.3
195.08179	3.2
195.13803	4.2
201.12766	7.3
209.15422	1.9
219.13805	16.7
223.07503	2.3
233.47983	1.6
237.12679	2.7
237.14861	25.6
237.18512	1.5
238.10762	4.8
252.03549	1.8
255.10080	2.7
255.15889	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	255.1954
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
55.05511	9.3
57.03429	4.1
57.07070	1.4
59.05000	2.0
65.03959	1.2
67.05497	12.9
69.03439	3.8
69.07059	12.7
69.62590	1.9
71.04987	25.2
71.08639	2.0
73.06544	1.4
74.78694	1.1
79.05499	10.4
81.07050	28.2
83.04979	5.1
83.08616	2.2
85.02897	10.8
85.06559	5.8
89.06023	1.2
91.05470	14.4
93.07034	37.4
95.04969	12.9
95.08596	38.0
97.06528	8.1
97.10185	2.4
98.64159	1.1
98.98469	13.2
99.04452	4.2
99.08096	4.0
101.06014	1.4
105.07015	33.9
107.04963	2.0
107.08588	19.2
109.06506	4.3
109.10152	18.8
111.08142	1.8
111.11702	3.3
113.05997	1.7
113.09648	2.5
115.07558	2.1
117.07000	2.3
119.08581	13.9
121.10138	79.9
123.08054	6.3
123.11725	7.8
123.88970	1.3
125.06049	1.6
125.09614	9.1
127.11200	3.9
130.07829	1.9
131.08546	6.6
133.10121	100.0
134.10446	1.9
135.08052	2.3
135.11740	7.0
137.06017	1.9
137.09633	1.7
139.11203	4.8
141.09149	1.5
143.10612	7.1
145.10083	7.7
147.11691	14.5
149.09625	1.8
149.13222	11.8
151.11180	26.6
152.06216	1.4
153.01816	11.9
153.12796	2.8
159.11681	20.7
161.13239	4.6
163.11140	3.0
173.13248	2.7
177.16443	2.9
189.16362	20.9
191.14331	1.6
191.17955	4.3
195.08023	2.0
197.05940	1.4
201.16399	8.7
207.17473	6.5
219.14001	3.0
219.17413	12.8
223.07512	1.6
228.76355	1.1
237.14816	4.3
237.18504	8.5
255.04993	2.3
255.10182	3.7
255.15977	1.3
255.19600	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	256.0812
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01860	2.6
56.05021	0.6
57.03424	4.8
57.16207	0.5
58.49329	0.5
61.02906	0.9
69.03419	2.7
69.23368	0.8
69.23774	1.9
70.06578	1.5
70.08174	0.4
71.01334	1.4
73.02912	2.5
80.04997	1.9
80.45624	0.5
82.01455	0.6
83.06084	1.5
85.02883	3.2
86.06062	0.5
87.04457	0.9
96.04478	0.8
97.02882	1.4
97.07640	1.1
98.98457	1.0
100.02467	1.6
101.02374	0.7
103.02413	0.7
103.03924	0.8
109.07606	0.7
110.07159	0.9
114.05486	2.8
115.03918	2.8
117.03979	2.8
118.03517	0.8
119.01939	2.3
123.04426	1.2
123.05540	1.7
124.03935	100.0
124.05853	2.0
125.04295	1.3
127.05052	1.1
129.01848	0.7
133.04964	4.0
135.05009	2.1
137.02991	0.7
140.05518	1.2
143.01897	0.9
145.03447	2.1
155.08138	4.6
155.23373	0.5
158.06570	0.8
161.02953	1.2
161.04317	0.6
168.05101	0.7
169.09375	0.5
171.01373	0.5
184.04556	2.3
186.06073	0.6
189.02400	1.2
189.03940	1.7
196.07126	0.7
197.07750	1.6
206.08818	0.7
207.03523	0.5
212.04103	0.6
215.08629	1.1
239.09775	0.5
256.08826	0.6
256.12985	2.6
256.26385	1.7
275.12473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
56.26038	0.3
56.96551	1.0
57.03426	4.3
57.07048	0.4
57.92501	0.3
59.04992	0.5
61.02923	0.8
62.75264	0.4
69.03423	2.1
71.01337	1.5
71.33335	0.5
73.02914	3.2
78.03455	0.4
80.05008	1.8
85.02885	2.9
87.04470	0.9
87.72428	0.4
91.85941	0.4
96.04486	1.3
97.02886	1.2
97.39395	0.3
98.16140	0.4
98.97581	2.3
98.98433	1.0
101.02367	0.9
102.05589	0.4
103.03912	0.5
115.02438	0.9
115.03914	2.9
116.98618	1.2
119.01926	0.7
123.04436	0.8
123.05490	0.6
124.03938	100.0
125.04291	1.1
125.07079	0.5
129.01822	1.3
131.04935	0.4
133.03432	0.8
133.04968	4.1
134.99652	0.5
135.05101	0.4
138.05516	0.4
143.01904	0.4
143.03387	0.5
155.08130	0.5
157.01363	0.8
161.04439	0.9
170.70215	0.4
171.01463	0.5
189.02414	0.8
189.03972	2.4
203.05437	0.9
207.03505	0.6
212.04008	1.2
233.01422	0.9
251.02370	1.8
256.02988	1.7
256.08038	0.4
256.26208	1.8
262.29425	0.4
274.04001	1.1
274.97479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
55.80371	0.6
56.96559	3.1
57.03433	6.4
57.07059	0.9
59.04982	0.9
61.02916	0.7
69.03422	1.6
70.10681	1.6
71.01344	2.2
71.08591	0.6
73.02901	2.5
77.24436	0.5
80.04998	1.9
85.02905	3.5
87.04464	1.7
91.56040	0.6
96.04536	0.8
97.02858	1.1
98.97556	6.2
98.98448	2.3
101.02354	1.8
103.05455	0.8
115.02423	0.8
115.03941	3.8
116.98609	5.5
119.01868	1.4
123.04427	2.1
123.05543	0.7
124.03938	100.0
125.04259	1.5
125.07090	1.0
129.01825	2.5
131.04890	1.0
133.04974	4.0
134.99626	3.2
143.03378	2.0
145.03445	1.0
152.50653	0.6
153.86736	0.6
155.08151	1.4
157.01340	2.1
161.04391	2.9
171.02911	0.9
173.02968	0.7
174.08086	0.6
189.03908	5.7
203.05508	1.7
212.03979	1.1
232.96402	0.8
233.01398	1.2
251.02495	2.3
256.02972	1.5
256.26306	3.0
274.97458	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	256.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49423	0.6
55.01862	2.3
56.96548	1.2
57.03434	4.9
60.32941	0.4
61.02916	1.1
66.79977	0.5
69.03415	2.5
69.74234	1.6
71.01342	1.5
73.02912	3.8
80.04989	1.2
83.24496	0.5
85.02905	3.7
87.04451	1.1
96.04475	0.9
97.02882	1.4
98.97565	3.1
101.02374	0.7
103.03928	0.8
115.02420	1.5
115.03911	3.8
116.98597	2.9
117.03991	0.6
118.03513	0.5
123.04357	1.2
123.05553	0.6
124.03940	100.0
124.68624	0.5
125.04285	0.7
129.01819	1.4
133.04977	3.8
134.99686	1.5
138.97075	0.4
143.03363	0.5
155.08134	0.7
157.01311	1.3
161.02916	0.9
161.04414	1.2
171.01364	0.9
177.05489	0.7
189.02441	1.0
189.03891	3.6
203.05460	0.9
207.03491	0.5
209.64061	0.5
212.04013	1.1
230.05067	0.6
233.01328	1.3
251.02437	2.3
256.03091	1.3
256.26358	1.9
274.03903	1.1
274.97501	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98621	0.3
55.69695	0.3
56.96562	15.3
60.37379	0.3
62.36612	0.2
65.33982	0.3
66.18079	0.2
67.82713	0.3
71.95261	0.8
98.97574	100.0
99.97909	0.5
101.97168	0.3
112.81278	0.3
116.98610	47.1
130.93314	1.6
132.37759	0.3
134.99644	13.1
140.00192	0.9
153.00758	0.7
172.94348	4.9
190.95370	3.6
200.95305	0.3
208.96413	1.1
214.95355	2.2
230.98575	0.4
232.96449	5.9
250.97513	1.9
256.96405	6.8
274.97473	46.6
275.97681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98657	0.2
55.95758	0.1
56.96558	16.1
57.97332	0.1
69.03410	0.1
71.95253	0.9
80.78187	0.1
81.03400	0.1
81.75265	0.1
84.08205	0.1
85.02915	0.1
97.02859	0.1
98.97569	100.0
99.78426	0.1
99.97913	0.4
112.92197	0.2
116.98605	51.7
117.98946	0.2
118.99023	0.1
119.01827	0.1
122.03162	0.1
130.93280	1.9
134.99637	14.3
136.00034	0.1
140.00212	0.5
142.01793	0.1
148.94354	0.3
153.00690	1.0
153.05759	0.1
153.55882	0.1
154.93352	0.2
158.01213	0.2
160.02867	0.1
160.14516	0.1
161.02917	0.1
161.04597	0.4
170.05170	0.2
172.94328	5.1
190.36981	0.1
190.95370	4.1
197.95081	0.1
208.96423	1.0
214.95351	2.1
225.54063	0.1
230.98460	0.2
232.96417	4.9
241.94099	0.1
248.99376	0.1
250.97504	2.3
251.02658	0.1
256.96393	6.8
257.08038	0.1
274.97458	44.1
275.97824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98639	0.2
56.96560	15.6
57.95342	0.2
60.47877	0.2
70.39223	0.4
71.95247	1.0
92.76110	0.2
98.97569	100.0
99.97924	0.5
116.98605	50.1
122.46848	0.2
123.04395	0.2
130.93274	1.9
134.99638	13.3
135.61853	0.3
140.00183	0.5
152.61571	0.2
153.00679	1.0
158.01195	0.5
172.94304	5.0
179.41263	0.2
190.95374	4.1
197.95111	0.3
208.96404	0.9
214.95325	1.9
216.83539	0.2
230.98447	0.4
232.96393	6.0
250.97495	2.6
256.93701	0.5
256.96396	9.1
258.09512	0.3
274.97467	58.9
275.97733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13814	0.7
54.93364	0.7
56.96564	8.8
57.07054	1.0
59.04996	1.7
61.02917	2.4
66.23878	0.7
67.05473	0.9
68.35284	0.7
69.07056	0.8
69.08022	5.4
70.06584	1.2
71.04987	2.1
79.05459	0.8
79.44231	0.7
81.04539	33.2
81.07054	6.2
84.08131	1.1
85.25624	0.8
91.32603	0.6
91.83049	0.8
95.04999	1.6
95.08620	0.7
98.97576	37.2
103.05466	13.1
107.04949	4.0
116.98615	33.1
119.04943	1.6
121.06509	1.1
123.04423	100.0
124.04765	1.8
127.00082	1.1
127.05032	19.8
127.08775	0.9
131.04921	23.9
133.02809	1.8
134.99648	21.0
135.04382	0.9
137.05965	1.7
137.10745	1.7
147.03275	1.4
147.04382	11.8
149.05972	10.6
151.03879	0.8
153.00662	2.8
153.01830	3.5
158.01164	0.9
159.04410	9.4
163.12270	1.8
165.05464	3.7
172.94354	0.8
175.03903	9.5
176.04663	0.8
177.05461	31.3
179.11836	2.2
187.05035	1.7
190.95421	3.0
193.04953	24.6
203.03374	15.5
207.11328	2.7
208.96532	0.9
211.05951	3.4
211.14449	2.9
214.95328	0.9
221.04431	25.2
225.12262	3.9
232.96474	2.5
239.05298	3.5
246.05669	1.2
250.97543	1.3
256.26404	2.3
256.96506	3.1
257.06311	7.3
257.10214	1.4
257.14969	21.6
257.22275	1.3
257.26633	0.9
274.97485	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	257.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	16.9
59.82819	0.8
60.05657	4.7
69.40266	3.3
70.06593	41.6
83.00960	3.8
84.08146	0.8
97.07642	8.5
98.06069	1.0
98.22843	2.8
98.23470	1.8
98.97581	100.0
101.00847	2.1
101.02011	3.4
108.04470	1.3
112.03584	3.9
112.08689	1.1
116.98619	47.9
118.04650	2.7
119.01942	2.2
123.04407	2.2
128.03819	1.0
128.05612	1.1
129.10245	1.0
129.42606	0.9
130.04619	2.2
130.93297	2.7
132.06161	1.1
134.99641	16.5
137.05522	0.9
140.06660	1.9
142.08255	4.4
144.05142	1.2
152.06702	3.2
153.00742	1.1
154.08250	4.0
155.06624	4.7
156.05029	1.9
157.10832	1.3
160.09334	2.8
168.06303	2.2
169.09357	10.5
170.06586	4.6
170.07884	1.3
171.06287	0.9
171.10902	14.7
172.09319	4.6
172.94411	4.0
173.07721	10.4
174.97618	2.3
179.06633	2.7
187.10384	5.0
188.07687	1.0
189.11955	14.0
190.95378	4.4
192.98776	0.9
197.07674	64.1
198.06128	5.9
198.07712	1.9
214.95425	1.9
215.08551	58.8
216.07086	2.9
216.08711	2.4
232.96452	6.6
233.10991	8.4
239.09883	29.5
240.08337	1.4
250.97508	2.1
256.96283	6.5
257.10983	20.9
274.97415	50.1
275.12653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.05496	2.0
56.96546	2.6
63.80434	0.7
65.03938	4.8
65.04227	0.9
67.05508	3.9
68.08154	0.7
69.07059	1.4
69.51775	0.7
70.52176	0.7
71.42810	0.8
79.05488	2.1
81.07050	2.4
82.02922	0.7
91.05476	2.5
92.04998	7.5
94.06531	2.3
94.15762	0.7
95.04934	2.1
95.08597	2.7
98.97578	11.4
103.79621	0.7
106.06587	1.0
108.08089	1.3
109.10126	1.0
110.06052	1.1
115.05406	1.2
116.98621	8.5
117.07009	1.0
118.06464	0.9
119.08593	1.0
120.04474	2.1
122.05997	2.9
124.07649	1.0
128.06186	1.6
129.06989	1.6
130.06462	1.1
131.08524	1.5
132.08070	1.3
133.10130	0.9
134.99628	5.3
136.07605	1.1
142.06485	1.1
142.07727	0.9
143.08601	1.1
144.08118	2.0
145.08917	1.0
145.10063	1.8
146.05959	1.0
154.06534	2.2
154.07751	0.9
155.07245	1.3
156.08063	2.1
157.08870	1.5
157.10127	1.3
158.06059	1.3
158.09634	1.0
159.09186	2.1
159.10457	0.9
159.11726	1.6
160.07532	3.6
162.09018	0.9
166.06520	1.0
168.06819	1.0
168.08089	2.8
169.08852	5.9
169.10117	1.4
170.09592	1.8
171.09164	2.0
171.10434	1.2
172.07581	1.3
172.09947	4.1
173.07060	1.3
173.08386	0.9
173.10660	1.1
173.13232	1.2
182.06007	1.1
182.09676	0.8
183.06827	1.6
183.09099	1.5
184.07626	4.5
184.11223	7.4
185.07106	3.1
185.10707	5.7
186.11476	11.9
186.12808	1.3
187.08583	6.2
188.10808	1.1
189.10298	1.1
190.95247	1.4
194.09575	1.1
196.07585	1.4
197.08315	7.0
197.13193	1.0
198.09219	1.3
199.08476	6.9
200.09419	10.0
200.13104	1.5
201.06561	0.8
201.10152	3.3
201.13850	16.5
211.08624	2.2
211.12198	0.9
212.10687	13.6
213.06587	8.4
213.10112	8.0
214.07304	2.1
214.10760	8.5
216.64861	0.8
224.09297	0.9
227.08133	6.9
228.08875	11.2
229.09796	19.4
229.13322	59.5
230.13600	1.5
239.11740	0.9
240.10106	3.2
241.09703	8.5
242.10466	11.1
257.12836	100.0
257.18640	2.2
258.13190	2.1
258.24338	2.1
274.97467	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	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40714	0.4
55.01856	1.8
57.03430	6.0
59.04993	0.7
75.04485	2.9
75.99539	0.4
77.03927	0.6
79.05093	0.5
79.05492	3.5
81.07025	0.6
85.81844	0.5
91.05470	1.5
93.07030	0.4
94.04178	1.0
95.04964	1.2
95.08597	0.8
98.97591	1.2
101.98346	0.4
103.05452	3.3
105.07021	33.3
106.07314	0.6
107.04940	3.0
109.06492	1.4
115.05474	0.6
116.98566	0.5
117.07025	0.6
121.06487	0.7
121.10149	0.4
121.43283	0.4
122.03632	5.0
124.05200	0.8
133.06477	47.9
134.06818	0.8
135.04379	0.6
135.08014	1.0
137.05963	100.0
138.06305	1.5
147.08038	0.6
149.06059	0.6
150.06775	0.8
160.05190	0.5
163.07556	4.4
165.09103	23.9
175.07498	3.8
177.09174	0.6
181.08557	2.2
182.09332	0.5
183.10182	4.2
193.06534	0.5
193.08617	0.5
203.10663	2.1
209.11737	0.8
221.11734	2.4
225.09122	0.7
239.12971	0.4
257.11777	0.8
274.97513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60340	0.4
53.53260	0.4
55.01861	1.5
57.03431	6.5
70.50203	0.6
70.50518	0.5
75.04482	2.9
77.03900	0.6
79.05486	2.7
91.05473	1.4
94.04175	1.1
95.04960	0.7
98.22726	0.7
103.05454	2.5
105.07023	30.4
107.04944	2.5
109.06534	1.0
115.05487	1.0
117.07014	0.8
117.66575	0.4
119.08546	0.5
122.03636	3.0
124.05191	0.5
133.06477	52.3
134.06804	1.1
135.04388	0.9
135.07999	0.6
137.05965	100.0
138.06306	1.5
143.38768	0.4
151.07562	0.7
161.09557	0.5
163.07542	4.7
165.09103	24.9
175.07544	2.8
175.11209	0.8
177.08983	0.8
181.08609	1.3
183.10059	3.6
203.10707	1.8
209.11772	0.6
221.11725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79784	0.7
55.01869	1.6
57.03439	5.1
59.20501	0.8
70.01585	2.1
75.04461	2.1
79.05489	4.1
81.07053	1.6
89.71300	0.7
91.05453	1.4
91.38544	0.7
94.04175	1.6
98.22936	1.7
98.97582	1.9
103.05460	2.6
105.07018	33.3
106.07365	0.9
107.04935	2.0
109.06502	0.9
116.98611	1.1
122.03627	3.3
133.06474	48.1
134.99677	1.0
136.05254	0.9
137.05963	100.0
138.06334	1.6
141.06955	0.9
143.08510	0.8
160.08612	0.7
163.07562	4.0
165.09097	22.2
175.07555	3.7
177.08875	1.1
177.35457	0.7
181.08597	1.3
183.10164	3.5
193.08614	0.9
203.10732	2.0
212.03882	0.7
221.11749	2.6
257.04324	0.9
274.97543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.4
55.05296	2.8
55.05508	32.1
56.96564	5.6
57.03426	11.0
59.04999	2.8
65.03944	3.4
67.05502	57.9
69.07066	43.8
69.30821	11.9
71.04978	26.7
73.02905	3.5
75.21371	2.9
79.05476	26.1
81.06564	4.9
81.07049	100.0
83.04973	11.0
83.08181	2.8
83.08615	14.4
83.09027	2.9
85.02898	67.1
85.06530	3.4
87.04454	12.8
91.05466	26.2
93.07033	29.9
95.04944	13.9
95.08593	42.0
97.06509	7.8
97.10168	7.7
98.89216	2.8
98.97576	26.9
99.04451	20.4
103.03915	7.3
105.07019	26.6
107.08575	9.9
108.41936	3.1
109.06544	3.8
109.10161	9.9
111.04456	5.3
111.08089	3.0
111.11696	4.8
113.02385	4.9
113.05945	3.0
115.03892	4.2
116.98605	13.3
117.07003	4.8
119.08578	27.7
121.10151	13.4
123.04427	7.7
123.08021	8.0
123.11690	25.7
129.06995	5.2
131.08546	6.8
133.06482	5.4
133.10078	15.4
134.99641	5.7
135.08084	3.4
136.84085	2.8
137.05962	3.5
137.09601	4.1
137.13248	12.0
139.07462	4.4
139.11172	12.7
141.12744	7.0
143.64258	3.4
145.10098	3.5
147.07999	8.0
147.11723	6.7
151.07550	2.8
155.14273	9.2
157.10098	3.8
159.11728	6.4
161.13252	21.7
165.09068	3.4
169.06436	4.1
175.14745	18.3
177.12599	3.1
185.13194	6.7
193.15834	8.2
203.14305	10.3
221.15370	15.7
239.16382	9.1
257.08118	5.2
257.11688	3.6
257.19080	5.2
274.97440	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	258.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	40.6
62.44231	1.2
66.56635	1.3
70.05727	2.7
70.06082	2.4
78.72585	1.4
83.97615	17.8
98.97576	18.9
99.97102	5.2
99.97899	5.4
101.98623	2.7
107.04992	2.7
116.98602	11.9
117.98932	4.2
128.00182	28.9
134.99672	5.3
137.98624	2.9
146.01231	66.0
155.99689	10.6
156.03310	1.5
161.06015	1.2
164.02280	67.9
166.65266	1.2
173.99271	1.7
174.00735	19.1
174.04445	2.2
182.03297	13.0
182.04558	1.2
192.01775	5.6
200.05948	3.5
202.00250	2.4
205.03737	1.5
210.04340	4.5
218.06976	28.4
218.09090	2.1
220.01254	3.4
228.05431	16.3
236.08034	9.5
240.05515	1.6
246.06552	5.5
258.06497	21.8
258.99973	2.3
259.04276	1.8
259.16556	1.3
275.97855	13.0
276.07513	100.0
276.97470	1.3
277.00897	2.6
277.07996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65801	2.8
56.96560	5.3
58.99579	3.5
69.03409	3.9
78.54563	2.8
83.29607	3.2
95.04934	3.9
98.97578	3.9
100.19431	3.6
105.07020	7.7
107.04249	6.3
107.04948	100.0
123.04444	3.8
131.04889	4.7
133.06480	34.4
139.02081	4.8
140.04730	3.1
141.03763	4.5
161.05971	52.3
167.07063	14.7
169.03099	3.5
170.05711	8.2
177.05460	10.3
187.04105	5.3
195.06516	45.7
205.04958	57.2
211.02597	3.7
223.05975	15.1
241.07130	4.5
253.03777	4.2
258.07980	9.0
258.13525	3.8
271.04892	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	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98624	0.5
56.96286	0.6
56.96560	10.0
59.44894	0.3
70.48944	0.6
71.95255	0.5
98.97571	100.0
99.97897	0.7
100.98007	0.6
116.98608	40.6
117.59914	0.3
124.86249	0.3
134.99637	9.6
140.00150	0.5
153.00636	0.5
216.98711	0.9
231.71165	0.3
232.57285	0.3
234.99745	0.7
240.98645	2.9
244.10802	0.3
258.99722	37.7
259.99841	1.3
277.00772	44.0
278.01071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98630	0.5
56.96557	11.1
56.96837	0.7
60.05630	0.4
60.12594	0.4
69.03418	0.7
70.06579	4.6
71.95264	0.4
81.03395	0.6
84.04491	1.0
84.08128	1.4
86.09706	1.2
97.07652	1.1
98.97570	100.0
99.04455	0.3
100.97189	0.7
101.00884	0.6
101.02056	0.3
110.07188	0.7
114.05531	0.4
115.03931	0.4
116.98607	52.4
119.01908	2.7
122.74811	0.3
131.01891	0.6
133.03433	0.7
134.99638	17.3
137.02927	0.4
147.07689	0.4
153.00696	1.5
153.01831	1.2
157.06381	0.3
158.01160	0.5
170.09489	0.5
171.09166	0.4
172.06340	0.6
173.10724	1.1
174.09097	0.4
175.00888	0.6
175.07442	1.0
189.02513	0.5
189.10228	0.5
190.12035	0.6
191.11613	0.9
198.07829	2.0
199.07385	4.8
212.13945	0.6
216.08739	2.3
216.98634	0.6
217.01996	0.7
217.08267	4.3
219.01878	0.5
234.11090	0.5
234.99687	0.7
235.03104	0.5
235.10754	0.5
240.10115	1.0
240.98662	2.9
241.09688	2.9
258.11096	0.4
258.99731	44.7
259.04175	1.5
259.10687	1.5
259.99890	1.2
277.00775	53.6
278.00992	2.1
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
51.00855	0.3
54.98660	0.4
56.96561	12.4
60.43393	0.3
61.32392	0.4
67.56218	0.3
70.06592	2.6
71.44368	0.4
71.95257	0.5
73.92351	0.3
84.04492	0.8
84.08150	2.6
85.02934	0.4
97.07628	0.7
98.97575	100.0
99.97896	0.4
100.02210	1.0
100.94627	0.4
116.98611	61.7
119.01886	1.0
120.04376	0.5
129.10263	1.7
130.10590	0.7
134.99644	24.2
137.02943	0.5
140.00188	0.9
146.02704	0.7
153.00682	2.0
153.01813	0.8
158.01245	0.5
171.09143	0.9
173.10707	1.1
175.07538	0.7
185.55196	0.4
189.02568	0.4
189.10127	0.4
191.11710	1.0
199.07350	3.8
200.05804	0.4
212.13904	0.4
216.98625	0.9
217.08307	4.2
218.06767	0.4
219.01923	0.4
219.04810	0.4
231.02991	0.4
234.99693	1.0
240.98625	2.7
241.09596	2.3
254.95061	0.5
258.99738	51.5
259.10757	1.6
259.99939	1.8
277.00784	59.9
278.00952	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	259.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83749	7.9
56.96556	24.2
57.03415	11.5
69.03419	35.3
69.50058	38.7
70.06582	34.3
70.12740	7.6
77.16109	9.6
81.03426	17.7
81.04082	7.6
81.04530	37.4
83.06100	13.6
84.04504	27.2
84.08136	44.5
85.02888	12.3
86.06068	9.9
86.09673	9.0
95.06078	16.9
96.04495	13.9
96.11590	8.4
96.65527	7.9
97.02886	100.0
98.23442	15.1
98.97576	38.7
104.10726	26.8
105.11054	27.7
110.07165	43.4
111.05552	38.5
111.07498	18.3
112.08706	8.0
114.05526	51.2
115.03925	8.0
116.98610	28.9
119.01910	21.1
125.00000	9.6
127.04163	12.2
127.05051	72.6
128.07063	12.0
129.10242	9.4
130.04990	17.0
130.08646	16.4
134.99692	12.1
137.02956	9.8
140.30701	8.0
141.64130	9.1
144.06554	9.9
145.01733	9.4
157.06169	9.2
161.02966	11.1
171.44022	9.0
173.01144	10.1
185.12407	7.7
185.83295	7.8
191.02225	14.1
191.11740	13.5
199.07521	26.0
212.13898	34.5
213.12395	8.9
213.14238	27.9
217.08566	24.5
222.76520	8.1
241.09634	11.2
257.86768	8.8
258.14462	23.6
258.99820	19.6
259.02066	15.3
259.10675	11.9
259.12823	15.8
259.14914	12.4
277.00711	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	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28025	1.2
50.65461	1.2
51.88731	1.7
56.96557	4.9
61.28335	1.5
68.58353	1.2
69.03416	1.6
70.06573	1.4
80.84397	1.2
88.51379	1.6
92.46652	1.6
98.06049	8.1
98.97572	27.0
108.05224	1.5
114.05567	1.4
115.03910	3.0
116.98615	16.6
134.06906	1.6
134.99660	8.4
147.59416	1.3
150.03102	1.4
162.06265	2.1
194.83464	1.6
206.05186	1.6
231.06538	2.8
247.73279	1.3
259.00220	8.3
259.04214	100.0
276.97833	2.2
277.00739	15.1
277.03580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07095	2.8
53.03938	5.5
53.87145	2.7
55.01853	6.2
57.03429	21.2
59.05001	3.2
67.05502	4.8
68.63796	2.3
69.03423	100.0
70.03792	2.8
71.01370	3.2
71.04955	3.1
73.02898	3.3
79.05467	5.0
81.03407	25.0
81.07042	3.2
83.04958	4.0
85.02897	39.0
87.04462	31.6
91.38889	2.9
95.04972	7.3
97.02888	91.9
97.06534	6.7
99.04456	15.3
107.04927	2.9
109.02892	6.8
111.04424	9.1
112.37447	2.5
113.14514	2.5
115.03922	37.7
123.04419	13.1
127.03872	9.9
129.06969	3.8
133.04962	18.2
139.03922	4.9
141.06938	3.3
143.03310	2.7
143.08586	4.3
145.04962	5.3
149.02379	2.9
151.03873	5.5
153.06906	3.1
161.05960	8.8
163.03970	3.4
165.05426	2.7
167.07109	2.8
167.08527	5.7
169.04982	5.8
169.06427	5.1
175.07431	3.8
187.07484	4.9
189.09186	4.0
195.08101	4.0
197.06026	2.8
199.07533	4.5
200.04581	5.1
211.06113	3.4
213.09119	7.5
215.07080	3.3
217.08617	5.0
231.06461	4.4
231.10063	3.2
241.08636	4.1
259.05783	3.0
259.07809	6.8
259.09885	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	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87758	2.8
55.01855	10.3
55.05500	7.3
57.03428	22.1
59.04991	2.7
59.54478	2.6
59.80534	2.5
67.05489	11.0
69.03065	4.4
69.03423	81.3
69.07059	19.4
71.43571	2.9
73.91509	2.2
79.05474	21.8
81.03411	17.1
81.07046	8.7
83.01336	2.7
83.04953	6.1
83.08604	2.6
85.02900	35.3
87.04462	34.0
89.03909	4.8
91.05460	10.0
93.07016	4.4
95.04947	8.7
95.08543	2.8
97.02885	71.0
97.06519	100.0
97.10163	5.6
98.06826	2.9
98.97585	2.8
99.04438	11.7
99.05010	2.4
103.64180	2.7
105.07021	6.1
107.04924	4.8
111.04425	6.8
115.03918	28.8
117.03354	7.8
117.28864	2.7
119.08571	3.8
121.06492	7.0
121.10098	4.2
123.04394	6.4
125.02379	2.8
125.09635	4.0
127.03909	4.0
129.82573	2.5
131.08592	3.2
133.02847	4.5
133.04948	18.9
135.04366	14.5
141.06979	2.5
143.03392	3.0
143.66316	2.4
145.02835	9.9
145.10117	3.2
147.04410	4.6
151.03905	2.9
159.04442	6.2
161.02333	15.1
163.03882	50.0
169.05011	4.6
173.02328	44.3
193.04936	3.4
215.06996	43.5
223.06126	2.8
259.09628	23.3
259.13214	9.4
259.16901	3.1
259.20657	4.1
260.22128	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	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	2.5
53.03929	5.0
55.01867	10.8
55.05503	4.5
57.03434	20.9
59.05002	3.6
67.05502	7.2
68.07455	2.8
69.03423	94.4
69.07052	16.0
70.75039	3.3
71.01340	5.0
71.04975	4.8
73.02899	3.0
79.05488	19.2
81.03404	27.6
81.07048	3.3
83.05000	4.0
85.02899	35.2
85.77931	2.9
87.04465	31.3
89.03915	6.9
91.05485	3.6
93.07011	3.6
95.04984	7.4
95.08627	3.4
97.02887	82.1
97.06525	100.0
99.04453	17.9
105.07004	6.0
107.04924	5.4
107.08569	4.1
109.02872	5.8
109.10179	2.8
109.50020	2.6
111.04425	5.8
115.03925	34.1
117.03397	7.5
119.05008	2.9
119.08540	5.3
123.04409	12.7
126.97049	2.9
127.03892	5.2
131.04895	3.5
131.08496	3.0
133.02849	7.2
133.04976	17.8
135.04427	12.7
145.02837	3.5
145.04932	7.0
151.03923	6.0
157.10088	3.6
161.02312	20.7
163.03891	44.3
167.36833	2.9
169.04935	9.5
171.11578	3.2
173.02335	48.5
175.03850	4.4
177.05496	4.3
185.05905	3.4
189.01857	3.8
193.04935	5.3
207.02869	14.6
213.09180	3.8
215.07021	48.8
241.06914	4.1
259.07767	8.8
259.10129	20.6
259.16858	7.4
259.20563	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	259.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01852	4.3
55.05489	5.5
57.03428	20.9
63.90040	3.4
68.99799	3.8
69.03419	100.0
69.43314	9.5
69.43704	8.3
70.39603	3.5
71.04969	3.4
79.05447	5.8
81.03400	24.6
81.07037	3.6
83.04936	5.8
85.02888	37.2
87.04459	36.7
91.05474	6.1
93.06995	4.2
95.04979	5.5
95.08578	4.8
97.02879	93.9
98.22698	7.2
98.97575	14.9
99.04438	19.8
105.07038	5.6
107.04975	4.8
109.02892	4.3
111.04419	8.7
115.03908	38.7
116.98627	9.5
121.06500	4.8
123.04416	12.9
127.03909	13.7
131.08650	4.0
133.04947	16.6
134.99681	4.6
135.04523	3.9
143.08533	4.4
145.04980	5.6
145.10120	4.8
145.22685	3.5
149.06015	4.2
151.03952	6.5
157.10141	9.0
169.04913	8.3
195.75258	3.5
217.08646	7.4
221.14087	3.5
241.19519	6.2
258.99695	6.5
259.08026	13.4
259.16943	3.8
259.20544	21.2
277.00854	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	259.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.4
56.05030	1.1
56.96554	2.4
57.03420	3.0
58.88065	0.9
67.05491	1.8
69.03426	9.0
69.32812	4.5
70.06548	1.0
71.04996	1.2
73.02909	5.1
79.05471	1.4
81.03385	3.0
81.07063	1.9
83.24579	0.9
83.82072	0.9
84.04504	5.3
84.08158	0.9
85.02900	5.0
85.06545	3.7
87.04459	2.6
95.04939	2.4
95.08631	1.1
97.02891	4.9
98.97568	8.7
99.04442	1.1
107.04990	1.1
107.32953	0.9
109.02892	1.5
109.06534	1.3
111.05625	1.2
113.06004	10.6
115.03921	4.0
116.98602	4.2
125.07132	1.8
127.03888	4.0
127.04768	0.9
130.04996	5.2
134.99649	2.5
135.04414	1.3
142.03200	3.4
145.08490	1.2
147.07590	2.3
157.06398	1.4
183.94754	1.1
196.09593	1.6
213.05348	1.6
215.07339	1.1
224.09126	2.7
231.02847	1.1
231.06656	1.7
258.99725	2.3
259.02234	2.7
259.11514	100.0
260.11987	1.5
276.97766	1.1
277.00754	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05506	7.5
57.07070	7.4
62.04935	2.4
65.81258	2.3
67.05487	8.3
69.07068	28.4
71.04993	15.8
71.09766	3.4
72.34200	2.4
75.92569	2.5
79.05463	5.0
81.07047	10.6
83.04971	6.5
83.08606	8.1
85.06545	15.8
91.05475	9.3
93.07021	11.7
95.04953	4.0
95.08595	17.1
97.06479	2.6
98.22910	3.0
105.07034	21.5
107.08598	16.4
107.21991	2.3
109.06520	6.4
109.10150	10.7
111.08033	5.2
111.30238	2.5
117.07018	4.6
119.08562	39.8
121.10130	11.8
123.10816	3.2
123.11671	23.5
128.75014	2.8
129.01845	8.8
131.08551	13.9
133.10124	25.7
135.08020	10.6
135.11685	5.9
137.09584	3.8
143.08560	6.3
144.09332	3.1
145.10118	25.2
147.11670	16.8
149.09651	3.9
154.96979	2.6
157.10124	15.3
159.11673	25.3
161.13229	22.9
171.11687	14.9
173.13251	8.6
175.11200	4.0
175.14810	72.1
176.15511	3.5
177.12758	3.3
177.16321	3.4
185.13173	13.6
189.12759	3.9
189.16357	3.7
191.14166	2.8
199.14832	2.9
201.16364	20.1
203.14301	10.7
210.48657	2.8
215.18037	4.6
241.19527	15.7
259.20541	100.0
260.20862	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	260.201
Annotation	Phormidinine A
Peak:m/z	Relative Intensity
55.01839	0.1
61.63241	0.1
68.50877	0.1
69.07064	0.2
71.42812	0.2
75.83497	0.2
79.05490	0.2
81.07041	0.2
84.04597	0.1
87.04441	0.6
87.49442	0.2
93.07028	0.2
97.06507	0.6
98.06860	0.4
105.07031	0.2
111.79253	0.1
157.10164	0.2
158.09532	0.2
159.11674	0.2
160.07590	0.3
163.03897	0.2
164.04256	0.2
173.11987	0.2
174.02637	0.3
174.12752	0.9
184.11232	0.3
185.11841	0.2
186.09175	0.2
186.12720	0.4
187.09859	0.6
187.13538	0.2
188.10686	0.4
188.14297	0.4
200.14317	14.4
200.20100	0.4
201.14813	0.7
202.12244	42.4
203.12581	1.1
212.14381	0.4
214.15897	0.7
216.07301	0.5
216.13850	0.2
217.14601	0.4
218.15341	0.4
224.18048	0.2
228.17450	1.6
230.19014	3.1
231.19385	0.2
244.16919	0.6
245.17702	0.5
260.20062	100.0
261.20401	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	261.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03464	0.9
55.01867	1.9
56.07165	0.6
56.96553	0.7
58.30619	0.6
69.03417	0.7
69.40930	2.6
70.06580	6.3
70.31262	0.6
71.05008	0.8
72.04498	5.2
73.02917	1.6
74.02431	31.6
80.05035	0.8
82.02935	4.0
83.01328	1.3
84.04500	1.1
85.02899	5.9
95.04923	1.6
96.08115	0.8
97.02898	1.4
98.06042	100.0
99.04453	2.4
99.06360	1.1
100.03967	4.1
105.07053	0.6
108.08099	2.4
109.04004	1.6
110.06035	3.5
113.02383	1.1
116.07082	24.4
118.05006	9.7
123.08032	3.4
124.07580	2.7
126.05521	5.3
131.04919	0.9
133.07581	1.3
134.05959	0.9
136.07585	0.8
137.07088	1.5
141.06935	0.9
146.04469	7.4
151.08673	3.3
152.07047	15.6
152.08206	1.2
154.05043	0.8
159.04483	1.2
161.07080	6.6
162.84265	0.6
177.05438	0.8
179.08125	14.8
180.06531	51.3
181.06934	0.9
187.04013	0.8
197.09198	14.8
198.07584	1.6
199.11139	1.2
205.04880	0.8
207.07639	2.7
215.03398	0.7
215.10287	1.3
225.08669	12.2
226.07068	16.0
226.09258	1.0
233.04399	1.1
243.09711	7.8
244.08011	3.3
261.10629	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	261.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	1.6
55.01869	2.2
55.93522	0.7
56.96550	2.2
57.03426	2.0
59.04990	0.8
65.66808	0.7
68.99803	1.0
70.06581	7.6
71.04970	0.7
72.04517	5.3
73.02922	1.4
74.02431	31.1
79.10613	0.8
80.05012	0.9
81.07019	0.8
82.02940	3.7
82.06553	0.9
83.01347	2.2
84.04492	2.8
84.08138	1.4
84.96015	0.9
85.02894	34.8
86.09699	4.8
93.07029	0.9
95.01306	1.3
96.04525	0.9
97.02910	1.4
98.06044	100.0
98.22832	1.0
98.97575	1.9
99.00819	1.3
99.04418	3.1
100.03959	4.8
101.02359	0.8
103.03941	1.1
103.26089	0.7
108.08076	1.4
109.03996	2.1
110.06018	4.1
113.02384	5.1
116.07079	23.3
116.98630	1.7
118.05002	9.1
123.00827	1.9
123.06356	0.8
123.08096	1.3
124.07558	1.8
126.05507	6.9
127.03866	1.0
128.07072	0.9
132.10172	2.0
133.07620	1.3
136.07536	1.1
137.07127	1.4
141.01805	1.3
141.18108	0.8
145.04942	1.9
146.04454	8.8
151.08656	4.2
152.07051	15.8
154.04984	1.1
155.03391	1.5
159.06548	4.6
161.07082	6.7
170.08128	0.9
179.08145	13.3
180.06528	49.8
188.06975	1.0
197.09198	13.8
198.07588	2.2
199.11232	1.2
207.07626	1.8
215.10516	0.9
215.13789	1.1
225.08673	14.2
226.07072	14.6
229.07076	2.2
243.09747	7.4
244.08095	4.5
261.03448	1.2
261.10681	5.9
261.13046	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
56.05034	3.1
56.40385	0.3
56.96576	0.6
69.07058	7.9
73.06554	0.4
84.04496	53.6
84.82645	0.4
85.02892	1.6
85.04814	0.5
86.09696	100.0
87.10021	1.1
98.22849	0.5
98.97572	1.8
102.05508	1.7
102.96829	0.4
114.05511	0.6
116.10719	0.6
116.98573	0.8
120.97831	0.4
123.08051	0.8
130.04010	0.5
130.04990	12.1
132.10190	39.7
142.04935	0.5
148.05980	0.6
152.10614	1.0
156.09267	0.5
170.11754	3.4
194.97249	0.5
198.11229	12.1
199.11220	0.7
212.98503	0.4
215.13783	0.5
243.13416	0.8
244.11787	9.1
260.99365	0.5
261.05624	0.5
261.14435	10.7
278.96579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.88616	2.3
55.01847	2.1
55.05499	19.7
57.03425	2.6
57.07052	8.4
64.68283	2.1
65.03931	2.2
67.05498	44.4
69.07045	8.9
71.08633	3.6
71.43748	3.0
79.05044	3.9
79.05487	60.6
81.07048	40.7
83.08598	7.0
86.76295	2.1
91.05467	25.2
93.07037	74.1
95.04965	8.2
95.08586	31.2
97.06542	3.1
97.10201	2.6
98.22978	2.3
99.08114	3.3
105.06997	17.0
107.04893	2.5
107.08578	50.8
109.06475	3.7
109.10144	11.5
117.06996	6.7
119.08583	16.5
121.10132	34.8
123.11688	4.9
130.90266	2.4
131.08549	14.8
133.10112	9.2
135.07985	3.8
135.11668	25.9
137.13229	2.6
145.10104	12.3
147.11650	6.8
149.09552	5.4
149.13252	19.8
159.11693	9.2
161.13293	5.9
163.14777	8.9
173.13228	6.7
175.14853	2.8
187.14865	5.0
215.17822	2.7
219.38344	2.4
243.21098	18.3
261.22107	100.0
262.22403	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30704	1.3
53.03934	2.8
55.05508	17.1
56.47252	1.2
57.03435	1.7
57.07059	5.1
63.80972	1.2
64.25850	1.3
65.03920	2.6
67.05498	40.4
69.07063	13.9
71.04983	2.8
71.08614	1.5
71.43052	1.4
79.05482	63.7
81.07050	54.0
81.07475	0.9
81.07550	1.5
83.04945	1.1
83.08604	9.2
83.19595	1.2
85.06547	2.3
91.05469	30.5
93.07033	77.7
94.44745	1.2
95.04953	7.0
95.08595	36.1
97.06499	3.2
97.10162	2.2
99.08083	3.5
105.04481	1.9
105.07012	23.2
107.08585	51.1
109.06509	3.4
109.10139	17.0
111.08080	1.3
113.09639	1.5
116.98559	1.2
117.07016	6.8
119.08570	16.1
121.10136	45.4
123.08064	1.5
123.11696	5.0
131.08569	13.2
133.10109	12.2
135.11681	36.7
136.11957	1.3
137.13211	2.2
142.80910	1.5
145.10109	11.8
147.11650	11.1
149.09593	1.5
149.13231	26.5
151.14926	1.4
159.11713	9.8
161.13222	12.4
163.14798	15.8
165.12672	1.3
173.13205	11.8
173.49879	1.3
175.14763	3.6
177.16379	4.2
179.14297	1.6
187.14841	7.2
201.16299	3.3
215.17914	1.7
243.21069	25.7
261.22116	100.0
262.22406	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
51.80432	0.7
53.03935	1.6
55.05506	14.2
57.03427	2.0
57.07070	4.3
63.42243	0.7
65.03911	1.4
67.05500	39.0
67.05866	1.9
69.07061	11.0
69.29547	1.7
69.29935	2.0
71.04977	2.9
71.08589	1.2
77.03912	2.0
77.35648	0.7
79.05488	53.7
81.07050	47.0
83.04978	1.1
83.08617	7.6
85.06509	2.6
91.05473	29.3
93.07038	74.4
94.07352	0.8
95.04957	8.0
95.08601	35.8
95.09217	1.7
97.06514	3.3
97.10142	3.4
99.08073	3.3
105.04519	1.5
105.07021	19.2
107.08584	49.7
108.08880	1.0
109.06510	1.9
109.10140	14.1
111.08061	4.7
113.09615	0.9
115.05407	1.1
117.07031	6.0
119.06133	0.9
119.08567	15.2
121.10134	43.7
123.08062	1.8
123.11699	5.4
131.08562	14.7
133.10121	10.5
135.11684	34.8
137.09544	2.0
137.13220	1.6
139.11121	1.1
141.89316	0.7
142.97690	0.8
145.10112	14.9
147.11681	12.8
149.09668	1.3
149.13242	26.5
151.11208	1.0
151.14755	1.2
153.12691	1.5
159.11678	10.4
161.13249	12.3
163.14804	21.2
165.12686	1.4
173.13249	10.7
175.14838	3.9
177.12793	1.0
177.16400	4.5
179.14308	1.3
185.69724	1.0
187.14772	6.0
189.16412	0.8
201.16350	2.8
203.05109	0.7
205.15990	0.8
215.17947	3.5
219.17337	1.6
243.21065	29.6
261.22113	100.0
262.22473	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	1.8
55.01862	0.8
55.05508	14.9
55.05773	1.0
56.59562	0.6
57.03442	1.0
57.07080	3.3
64.85633	0.7
65.03944	1.9
67.05499	41.7
69.07059	13.3
69.83158	2.6
71.04958	2.0
71.08646	0.7
77.03915	1.5
79.05485	58.2
80.05834	1.0
81.07048	47.9
83.04968	1.2
83.08617	8.0
85.06525	2.9
91.05468	29.1
93.07035	79.5
95.04971	6.6
95.08597	36.4
95.09216	1.8
97.06505	2.3
97.10152	3.2
99.08116	3.7
105.04521	3.6
105.07017	22.1
107.08582	48.8
109.06484	2.7
109.10139	12.8
111.08054	2.3
111.11742	0.7
113.09613	1.2
117.06976	6.9
119.08571	15.5
121.06502	0.9
121.10131	40.0
123.08077	1.7
123.11669	4.6
125.09601	1.2
131.07652	1.3
131.08562	15.1
133.10117	13.1
135.11681	33.2
137.09566	1.5
137.13165	1.1
139.66438	0.8
143.08493	0.7
145.10118	14.5
147.11665	11.3
149.13237	25.3
159.11667	9.5
161.13252	10.6
163.11209	1.1
163.14804	15.9
165.12704	1.9
173.13246	8.7
175.14865	4.0
177.16370	4.6
179.14268	2.4
187.14809	7.2
201.16302	3.5
205.15887	1.4
215.17934	1.4
243.21056	25.4
261.22107	100.0
262.22421	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03930	1.4
55.01859	0.8
55.05255	1.2
55.05503	13.1
57.03428	1.6
57.07072	3.4
63.95567	0.6
65.03918	1.6
67.05497	37.3
69.06709	0.8
69.07061	10.4
69.71980	1.8
71.04971	1.8
71.08622	1.2
73.52218	0.7
75.15438	0.6
77.03920	1.4
79.05485	52.5
80.05817	0.9
81.07046	42.9
82.07397	0.7
83.04945	1.0
83.08600	7.0
85.06534	2.4
85.74742	0.6
91.05470	26.3
93.07034	68.1
94.07338	0.8
95.04953	6.1
95.08595	30.4
97.06516	2.8
97.10141	2.5
98.22697	0.9
99.08071	2.4
103.05492	0.8
105.04504	2.3
105.07021	19.0
107.08579	46.9
109.06507	2.4
109.10149	13.2
111.08070	3.0
113.09600	1.4
117.06995	6.0
119.08566	14.0
121.06483	1.0
121.10131	39.1
123.08049	2.2
123.11684	4.8
129.07027	0.7
131.08554	12.3
133.10115	11.7
135.11673	31.5
137.13214	1.9
139.11139	0.8
145.10103	13.7
147.11667	10.3
147.12743	1.2
149.13234	22.8
159.11661	8.6
161.13214	10.8
163.14786	14.5
165.12686	0.7
173.13237	8.5
175.14799	4.2
177.16386	3.4
179.14276	1.6
187.14760	6.4
201.16362	2.3
205.15785	1.3
211.65359	0.6
215.17871	1.8
217.19540	0.9
219.17407	1.5
243.21060	24.4
244.21437	1.5
261.22104	100.0
262.22433	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	262.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28787	0.2
56.06195	0.2
56.96557	0.5
57.03442	1.2
58.06601	0.9
58.85963	0.2
59.04699	0.5
59.04997	9.6
59.07393	0.6
60.07868	0.5
60.08161	7.9
60.08466	0.4
70.06595	0.3
71.42271	0.3
81.72078	0.2
82.99887	0.3
83.04965	0.4
84.08145	0.5
85.02898	100.0
86.03233	0.7
87.74599	0.2
91.52082	0.2
92.05109	0.2
92.48583	0.2
98.78027	0.2
98.97562	1.7
101.00880	3.0
102.96876	0.8
113.00842	0.3
113.03563	0.2
116.42664	0.2
116.98611	0.9
119.01910	5.8
120.02116	0.3
121.01678	0.2
131.01913	1.4
134.99631	0.3
137.02980	0.7
138.03209	0.3
143.01884	4.8
144.10168	2.8
145.04942	12.3
145.67657	0.2
155.01880	0.5
157.03467	0.6
161.01613	0.5
161.02945	10.5
173.02910	1.3
177.00851	0.4
178.01030	2.5
179.00700	0.7
179.04076	0.4
185.03033	0.4
185.08028	1.5
191.04057	1.0
202.01112	0.3
203.03996	3.0
204.12311	0.7
218.04341	0.3
219.01935	0.4
220.02090	3.1
221.01753	1.0
221.05069	0.4
226.01024	0.4
238.98306	0.5
244.02098	1.6
245.01750	0.5
262.00278	0.7
262.03177	17.0
262.05872	0.7
262.16473	45.9
262.98837	0.2
263.02881	4.9
263.06100	3.0
263.16837	0.8
280.00977	0.4
281.00180	0.3
281.07175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.2
58.06589	1.2
59.04995	1.8
60.08158	1.9
63.72369	0.9
65.45451	0.9
74.52203	0.8
82.99870	2.5
85.02896	16.0
98.97608	1.4
100.07607	1.3
101.00871	30.2
110.94671	1.0
111.60005	0.8
113.00849	3.6
115.02423	1.4
116.98628	1.1
118.83272	1.0
119.01915	32.5
131.01897	12.2
131.12666	1.0
133.03436	1.5
137.02963	2.6
143.01886	47.3
144.01953	0.9
145.03458	1.7
145.04947	1.9
155.01868	8.8
157.03465	2.9
160.74994	1.0
161.02950	100.0
162.03085	2.8
173.02945	16.6
175.04605	1.5
179.04005	2.5
185.02965	3.4
191.03998	11.1
203.03989	22.6
216.14226	5.0
217.14442	1.2
221.03230	1.3
221.05103	5.0
233.05127	1.5
239.06076	3.0
239.49405	1.0
245.14970	2.4
262.14313	5.2
262.16949	1.8
263.01611	3.6
263.06088	29.3
263.14587	1.7
263.17004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91521	3.7
62.08368	3.2
70.88342	3.7
74.68712	3.4
84.04494	4.1
89.35085	3.0
100.07615	6.5
101.00878	26.1
119.01925	39.1
131.01895	14.0
136.57869	2.9
137.02939	3.3
143.01904	45.8
155.01813	3.6
157.03447	4.9
161.02940	100.0
161.04233	5.5
161.88947	3.4
173.02936	15.3
185.02936	6.1
189.63731	4.2
191.03987	10.4
199.14491	7.9
203.04002	26.9
221.05014	4.6
245.14993	23.4
262.14856	3.9
263.01660	13.7
263.06085	33.0
263.15997	13.1
284.27161	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	263.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05252	1.6
55.05507	16.0
59.04990	1.2
69.03413	4.1
73.06560	2.0
83.04948	2.1
85.02895	14.4
91.05454	2.2
97.02887	4.8
97.13367	1.4
101.06001	4.4
105.07004	1.9
118.06521	2.3
127.03900	5.8
131.08353	1.3
132.08102	3.3
134.09641	9.4
135.07980	1.7
136.58015	1.2
145.04958	3.2
146.05952	3.1
173.05814	1.5
173.16917	1.4
175.07413	1.5
188.06998	1.7
199.11192	1.9
200.38806	1.5
200.83133	1.4
201.05281	1.7
217.04732	4.5
235.02359	1.4
242.40714	1.3
245.12859	4.8
246.11200	2.1
263.05246	100.0
263.13937	2.4
264.05643	1.5
264.12305	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	263.0524
Annotation	Galactitol 1-phosphate
Peak:m/z	Relative Intensity
56.05028	2.2
59.35104	1.4
65.33716	1.5
67.66215	1.4
70.61789	3.3
129.27098	1.3
135.98582	1.3
201.05090	2.5
217.04703	4.5
263.05234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58971	2.4
70.99848	0.6
82.99855	2.4
85.02890	1.4
86.99335	0.8
89.00900	0.6
97.02871	0.6
98.97603	0.6
101.00876	29.2
102.00973	1.0
105.00317	0.8
113.00866	5.6
115.02419	0.7
119.01913	33.8
120.01997	1.3
127.02443	0.7
131.01907	11.4
137.02972	2.7
143.01886	46.3
144.01965	1.1
145.03441	1.6
149.02975	1.0
155.01886	5.6
157.03491	2.7
161.02946	100.0
162.03127	2.6
167.01778	1.0
173.02951	15.3
174.59154	0.6
175.04454	0.9
179.03972	2.3
184.04633	1.2
185.02948	2.9
191.03986	11.5
203.03986	22.7
204.04170	1.0
221.05084	3.7
233.05042	1.3
239.06078	1.2
245.05026	0.7
263.01761	0.9
263.06091	20.3
264.06207	0.9
281.06952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04221	0.4
58.99855	0.4
65.18629	0.3
66.00839	0.3
69.03439	0.4
69.55875	1.0
70.99841	1.6
77.00890	1.4
81.03410	0.9
82.99846	1.2
89.00904	2.0
95.01953	0.3
98.23440	0.7
101.00236	0.8
101.00877	13.3
109.02835	0.4
113.00871	0.9
115.02402	1.1
119.01915	17.7
120.01992	0.4
120.71832	0.3
127.02436	1.7
127.54309	0.3
131.01889	1.8
133.03435	0.8
135.01393	0.8
137.02936	2.2
139.02383	3.3
141.00345	0.7
143.01903	8.8
145.03447	5.1
147.01337	0.5
148.30182	0.4
157.03465	13.5
158.03561	0.5
159.00240	0.3
159.01382	1.9
161.02957	17.5
162.03119	0.5
163.04495	0.9
167.01877	1.5
173.02936	0.9
175.04515	3.1
179.04022	0.7
184.04555	0.4
185.02942	5.6
187.04483	1.4
191.04036	0.5
203.03998	8.5
221.05045	9.4
222.05185	0.6
239.03891	0.7
239.06102	6.7
240.06282	0.4
245.05153	0.8
263.06100	100.0
264.06265	3.8
281.07147	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	Picridin
Peak:m/z	Relative Intensity
53.03945	0.9
55.01867	4.1
55.05494	2.7
57.85070	0.8
65.03916	1.2
67.05497	5.0
69.03423	9.1
71.01342	7.5
71.04988	1.0
71.43410	0.9
79.05469	6.7
81.03450	0.9
81.07042	7.9
83.04977	1.8
85.02895	3.7
87.04449	1.8
91.05472	11.1
93.07038	5.9
95.04945	4.8
95.08603	2.7
97.02898	4.2
97.06523	12.9
97.68584	1.0
99.04433	1.3
103.05486	2.1
105.07014	10.7
107.04939	1.6
107.08569	11.0
109.02888	4.4
109.06489	5.9
109.10130	1.6
111.04442	7.3
111.08085	1.2
113.02348	3.7
115.05442	4.9
117.06992	7.4
119.04915	1.6
119.06002	0.9
119.08567	10.4
121.06490	5.5
121.10145	1.6
123.04437	8.9
123.08047	4.1
125.08343	1.1
128.06224	5.7
129.06999	6.8
129.49837	0.7
130.07825	1.2
131.04959	2.4
131.08571	6.7
132.05714	0.9
133.06474	4.4
133.10114	3.2
135.08035	100.0
136.08327	1.6
137.02367	1.0
137.05957	3.8
137.09547	0.9
139.03931	1.5
139.07526	1.8
141.06960	3.9
142.07770	7.3
143.04932	0.9
143.08557	8.3
144.09331	2.9
145.06442	4.3
145.10092	2.3
146.07268	1.6
147.08054	8.7
147.11652	1.9
149.05951	2.7
149.09644	2.4
151.07576	2.3
152.06235	1.1
153.06938	1.3
154.07823	1.2
155.08545	2.3
156.09328	9.6
157.06470	4.2
157.10132	7.0
158.07231	2.1
159.08040	8.2
159.11662	9.6
160.05196	2.5
160.08792	2.7
161.05994	5.4
161.09633	4.7
161.13217	1.1
161.63991	0.9
163.07518	3.7
165.06993	2.2
165.09062	1.6
166.07732	3.7
169.06441	2.3
169.10118	1.9
170.07294	1.5
171.08054	3.4
171.11655	7.2
172.08833	4.9
173.05907	1.2
173.09608	10.6
173.13306	1.7
173.50574	1.0
174.06766	1.8
175.07538	23.4
175.11118	4.3
177.09035	1.1
178.65605	0.8
179.07063	1.1
181.10089	3.6
183.08067	0.9
183.11641	1.0
184.08844	4.7
185.09608	6.1
187.07541	3.3
187.11147	28.5
188.08289	3.2
189.09102	3.3
189.12758	3.6
191.07013	1.7
193.08621	1.6
197.05981	1.2
199.07516	3.3
199.11148	20.0
202.09865	2.4
203.07031	4.3
203.10637	32.3
205.08562	1.9
209.09601	2.6
212.08255	4.1
215.07201	1.5
215.10646	21.0
216.08002	1.2
217.08533	3.3
217.10280	1.3
217.12209	20.3
217.15663	0.9
219.13733	1.0
227.07050	1.0
227.10637	17.0
233.11703	13.5
245.07864	1.9
245.11697	46.9
246.12138	1.1
263.09335	3.0
263.12781	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	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
53.01826	1.1
53.03934	1.7
55.01874	3.4
55.05495	2.1
67.05499	2.7
69.03426	9.1
70.99718	1.5
71.01350	8.4
79.05502	5.7
81.03442	1.2
81.07036	6.9
83.04983	2.9
85.02898	4.0
89.34449	1.3
91.05471	9.2
93.07046	5.0
95.04980	5.1
95.08595	1.8
97.02884	3.7
97.06527	12.9
103.05480	2.8
105.07034	12.1
107.04935	1.4
107.08593	12.6
109.02890	4.5
109.06520	5.9
109.10170	1.3
111.04417	8.7
111.08044	1.4
113.02348	4.6
115.05451	5.8
117.07023	5.6
119.08563	11.7
121.06498	5.8
123.04419	7.2
123.08063	3.9
128.06213	6.2
129.06961	7.9
131.04892	1.6
131.08536	6.7
133.06491	4.5
133.10124	2.7
135.08038	100.0
137.05966	3.6
139.03873	2.7
139.07515	1.6
141.06941	2.9
142.07774	7.1
143.08585	7.1
144.05739	1.7
144.09334	2.7
145.06468	4.1
145.10127	4.7
146.07243	1.9
147.08069	8.1
147.11649	1.6
149.05975	2.3
149.09601	3.2
151.07626	1.8
155.08551	1.7
156.09349	7.8
157.06499	4.3
157.10059	7.4
158.07271	2.2
159.08041	7.3
159.11658	9.2
160.05188	3.1
160.08888	2.7
161.05936	8.2
161.09590	4.9
163.03865	1.6
163.07549	3.1
165.09093	2.2
166.07767	3.3
169.06447	2.1
169.10097	1.8
171.08087	2.9
171.11702	10.0
172.08745	5.9
173.05975	1.6
173.09575	10.0
174.06807	3.2
175.07535	26.6
175.11067	5.8
181.10085	3.9
184.08855	5.1
185.05969	2.0
185.09583	4.6
187.07591	3.1
187.11157	29.4
188.08348	3.1
189.05528	1.3
189.09145	3.5
189.12700	3.2
191.07021	2.5
199.07549	4.1
199.11163	20.5
203.07082	4.3
203.10641	35.9
203.12442	2.4
209.09604	2.0
212.08296	4.9
215.07254	1.4
215.10640	22.5
217.08598	4.7
217.12212	22.1
219.06424	1.5
227.10628	15.3
233.11664	16.9
245.11711	51.3
263.09305	4.1
263.12778	15.8
263.15662	1.7
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	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
52.22765	1.4
53.03939	3.3
55.01869	8.1
55.05508	47.8
57.03430	2.1
57.07056	1.9
64.34801	1.4
64.63625	1.7
65.03928	1.7
67.05497	6.1
69.03424	4.7
69.07075	3.7
69.66544	5.1
69.66882	2.0
71.04989	2.3
73.05082	1.7
75.14694	1.5
79.05480	12.4
81.07049	44.2
83.04980	2.1
83.08611	100.0
85.06549	2.0
91.05467	17.8
93.07034	20.7
94.04189	3.9
95.04961	12.6
95.08616	8.7
97.06502	9.8
104.99261	33.8
105.07016	9.4
107.04962	4.6
107.08582	39.1
109.06504	89.3
109.10143	1.7
111.08076	15.1
113.09640	4.9
119.04931	6.3
119.06036	5.1
119.08536	7.9
121.06516	2.3
121.10143	6.9
123.08060	10.1
125.09631	12.2
127.07524	2.2
129.09038	2.0
133.10124	7.9
135.11711	2.7
137.05978	30.7
137.09573	1.9
139.11148	21.7
143.08522	2.5
145.10083	4.9
147.05853	2.8
147.08061	2.6
149.09612	5.0
153.09076	9.2
159.11644	10.3
161.09633	3.3
161.13255	2.9
163.11194	3.4
177.12744	4.1
179.14282	2.5
181.12192	15.4
185.13235	6.2
187.11194	9.7
203.14290	12.3
205.12224	14.9
221.13394	3.0
221.15343	19.8
239.14325	1.7
245.15363	5.8
263.16190	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	264.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43021	0.6
56.45929	0.5
56.96558	100.0
64.17399	0.6
67.05452	0.5
71.34248	0.7
71.95250	0.8
72.96044	1.0
74.97617	1.2
83.97640	1.6
84.04499	1.3
85.25427	0.6
95.02181	0.5
96.96516	0.5
98.97570	13.9
112.97897	0.6
116.98618	8.2
130.04997	0.6
134.99629	2.6
144.96822	1.2
149.02734	0.9
165.02267	1.0
167.03781	1.0
175.07619	0.6
176.02289	1.0
176.03818	17.8
177.02194	0.8
178.05379	33.6
181.01695	1.6
183.03310	5.4
190.01726	0.8
192.03313	1.4
194.04900	6.2
196.06441	17.2
201.04327	5.1
202.10783	3.0
204.03273	7.9
208.02814	3.9
210.04332	1.2
219.03316	1.2
222.04349	82.5
223.04680	1.8
226.03885	1.2
233.06113	0.7
240.05399	65.7
241.05769	2.0
245.05882	0.9
263.07111	0.7
264.05399	18.3
282.06366	1.3
282.96378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
55.01867	13.0
62.89824	1.7
63.41678	2.0
70.67354	2.7
70.67680	3.1
79.05498	16.2
79.30145	1.8
81.03411	16.3
81.04544	1.9
81.07044	3.8
83.04975	3.4
91.05470	23.0
95.04951	3.2
98.23071	2.6
100.23373	1.8
103.05451	5.4
105.04599	2.2
105.07030	13.3
107.04946	25.1
115.05449	36.9
116.06223	12.6
117.07018	33.7
119.08572	5.9
122.07143	15.1
124.05202	4.3
127.05436	1.8
128.06203	10.6
129.07005	27.0
130.04150	2.8
130.07809	3.4
131.04924	12.9
131.08566	27.0
132.05742	6.3
133.06531	11.8
141.06993	23.5
143.04913	8.9
143.05956	2.5
144.04752	4.2
144.05713	39.8
145.05327	3.5
145.06482	66.7
147.04424	6.0
147.08041	8.0
152.04718	2.1
155.04918	6.8
155.06050	14.9
155.81314	2.1
156.05707	8.6
157.06476	23.0
158.07251	14.5
159.04463	2.9
159.08055	49.3
160.05180	8.0
161.05969	25.9
163.03957	2.0
167.07040	57.5
169.06470	11.9
169.07605	3.7
171.04396	4.3
172.05186	8.3
173.05980	72.1
173.07448	4.3
175.07539	21.6
177.05472	3.5
177.09090	2.0
178.06241	3.0
181.05017	4.7
185.06000	2.7
186.06696	9.8
187.07527	65.7
189.05397	3.0
190.06244	46.2
190.07896	3.4
191.07001	17.2
192.07791	11.0
193.08583	15.7
194.07288	3.7
202.06250	2.8
203.07028	20.7
204.07718	6.3
205.06712	4.8
205.08588	100.0
207.10115	10.1
215.07079	18.1
217.08575	27.2
218.09367	23.8
219.10138	41.2
222.06731	5.6
229.08650	5.7
233.07938	3.6
235.09618	6.4
237.09125	4.6
237.11244	4.4
247.09642	65.9
250.06358	2.8
265.08395	8.8
265.10806	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Scytalol D
Peak:m/z	Relative Intensity
50.01360	2.9
55.01866	14.2
59.92530	3.9
67.05499	13.9
69.69035	7.0
69.69417	10.6
79.05504	17.9
79.05882	3.5
81.03422	22.4
81.04533	6.9
81.07055	16.9
83.08579	4.3
88.91032	3.3
91.05473	23.5
93.07032	5.9
95.08599	12.4
98.22910	11.3
103.05450	5.8
105.07027	17.4
107.04943	35.3
109.06532	6.1
109.10175	6.9
115.05453	42.7
116.06231	11.8
117.07023	36.0
119.08566	6.8
122.07130	36.0
124.05204	4.3
128.06233	11.6
129.06989	27.1
130.07750	5.0
131.04932	10.0
131.08572	35.0
132.05722	8.0
132.23946	3.1
133.06490	12.5
141.06973	27.9
143.04912	11.5
144.04749	7.9
144.05719	45.0
145.06476	62.1
147.04402	5.6
147.08060	10.1
155.04897	9.6
155.06029	14.9
156.05676	11.2
157.06494	24.0
158.07257	13.2
159.08047	58.2
160.05110	7.0
161.05930	23.9
165.06955	4.5
167.07033	81.4
169.06464	12.0
169.07635	8.6
171.04443	7.1
172.05165	9.5
173.05997	73.0
175.07556	25.8
178.06259	11.1
186.06757	10.1
187.07529	70.0
189.05426	5.4
190.06258	44.1
191.06985	20.0
192.07823	13.7
193.06734	3.2
193.08548	16.4
202.06306	4.2
203.06981	28.3
204.07877	4.0
205.06651	8.2
205.08588	100.0
207.10143	11.7
215.07014	20.2
217.08606	17.7
218.09378	38.1
219.10132	59.8
222.06725	5.0
229.08556	6.5
233.08096	4.5
235.09622	9.9
247.09642	74.0
265.08441	12.8
265.10837	56.2
265.17844	3.7
265.21521	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	265.1433
Annotation	CHEBI:69731
Peak:m/z	Relative Intensity
50.65004	3.8
51.45864	3.9
55.05504	5.3
57.07056	7.8
59.04998	6.8
67.05495	5.2
68.99792	3.3
69.03416	20.5
71.43069	5.0
79.05476	12.0
81.07020	4.4
83.04964	66.4
83.08616	4.5
91.05473	17.8
93.07065	19.9
95.04954	12.2
95.08566	7.9
97.02855	4.6
105.07003	26.6
107.08577	40.6
109.02878	6.5
109.06547	18.5
109.10098	6.2
111.04427	40.5
111.08047	11.3
113.05966	16.1
115.05457	5.6
117.07008	12.5
119.08553	26.8
121.06489	35.6
121.10119	8.3
122.07165	14.8
123.08061	21.2
125.05991	4.8
129.06958	5.5
131.08528	11.3
133.06479	6.5
133.10100	5.3
135.08038	94.6
135.11699	7.4
137.09615	9.6
139.07558	5.2
143.08539	5.3
144.04782	4.4
144.09346	5.8
145.06429	15.4
145.10132	7.5
147.07982	8.1
149.05995	12.0
149.09584	18.6
151.07553	6.0
153.09097	13.9
158.10870	5.5
159.08028	9.9
159.11665	14.2
161.09602	10.9
163.07521	64.1
163.11159	14.1
165.05453	5.7
165.09138	20.5
166.09799	5.1
172.08810	12.3
173.09673	8.3
173.13245	20.7
177.12737	8.7
183.11601	6.1
186.10376	7.9
187.11211	41.4
191.06987	25.5
201.12706	26.4
205.12221	12.8
209.08072	10.0
211.11163	10.2
219.13773	21.7
222.06619	7.8
224.99734	3.7
229.12238	48.3
237.09193	4.3
247.13286	100.0
250.06114	7.7
264.24365	6.1
265.08527	18.4
265.14246	20.5
265.24893	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.01862	5.0
55.05503	14.7
57.03425	5.4
58.24077	2.7
65.03927	8.6
67.05505	31.3
67.11826	2.8
68.67986	2.6
69.03428	38.9
69.07069	2.7
69.62119	5.1
69.62524	9.1
71.04996	12.4
77.03941	3.4
79.05488	23.3
81.07056	22.2
82.29028	2.4
83.04980	12.8
84.08739	2.8
85.02905	6.0
86.07040	2.6
86.67104	2.8
91.05473	58.7
93.03413	7.3
93.07040	39.3
95.04966	52.1
95.08601	23.5
97.02876	8.2
97.06522	8.6
98.23385	4.2
99.04452	7.8
103.05453	8.3
104.06207	3.3
105.04515	3.5
105.07030	74.1
105.07730	4.5
107.04943	4.2
107.08582	22.4
109.02867	6.4
109.06509	30.8
109.10145	9.9
111.04449	29.1
111.08073	10.5
112.44151	3.0
113.06019	16.0
113.98972	2.4
115.03938	3.2
115.05437	7.5
116.06228	7.3
117.06996	21.8
119.08579	100.0
121.02834	12.3
121.06492	46.0
121.10136	15.9
122.07151	4.2
123.04409	3.4
123.08079	27.3
126.54282	2.6
128.06201	10.2
129.07004	22.5
130.07764	9.0
131.08562	48.0
132.05699	3.9
133.06487	14.1
133.10089	19.7
135.04266	3.3
135.08046	79.2
137.09618	14.3
139.03888	13.8
139.07562	6.9
141.06975	12.1
142.07803	15.4
143.08521	16.8
144.05711	5.4
144.09329	9.3
145.02895	3.9
145.06499	20.1
145.10112	36.0
146.07249	5.6
147.04323	4.9
147.08049	44.7
147.11682	12.4
149.05957	9.1
149.09625	12.0
151.07518	5.7
153.07051	3.3
153.09081	5.7
155.08527	9.4
156.09271	8.2
157.06499	7.0
157.10114	18.9
158.07271	25.7
158.10895	5.2
159.08044	43.8
159.11690	42.0
160.08740	5.0
161.04532	3.0
161.05945	6.0
161.09602	46.1
161.13222	5.6
163.03937	3.8
163.07565	7.3
165.06987	3.3
165.09126	30.0
168.09309	8.8
169.10066	4.2
171.08023	8.9
171.11687	12.6
172.08820	21.4
173.09575	17.7
173.13269	25.4
175.07549	71.6
175.11147	42.0
177.05489	8.9
177.09001	3.0
178.07761	4.1
181.06487	3.7
181.10170	4.6
183.11722	11.7
185.09575	9.5
186.10370	4.8
187.07607	3.7
187.11162	44.6
189.09106	13.8
189.12740	9.8
191.03363	6.1
191.07005	5.2
193.08630	24.1
193.10130	5.4
196.08815	8.4
199.11136	15.0
201.12720	41.6
203.10664	39.6
205.12222	9.8
207.10049	4.0
211.11127	21.4
217.12253	23.9
219.13840	9.6
229.12193	28.2
235.13281	8.6
247.13210	43.4
264.26440	3.0
265.14447	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
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
51.14561	3.6
53.03957	5.6
55.05518	11.0
61.02049	4.8
64.84927	4.3
65.03935	12.3
67.05505	23.4
68.24757	4.0
69.03424	42.6
70.66189	8.0
71.04996	6.4
77.50043	4.3
78.47173	3.9
79.05484	21.0
81.07066	20.5
83.04981	13.9
91.05471	47.1
93.03358	6.1
93.07030	50.6
95.04961	46.5
95.08620	17.6
97.02847	4.4
97.06538	7.5
98.23029	5.4
103.05489	5.6
105.07012	80.6
107.08609	25.9
109.06512	31.4
109.10129	6.2
111.04436	38.3
111.08059	11.0
113.06024	18.6
116.06200	5.4
117.03374	10.3
117.07003	21.7
119.04892	4.7
119.08569	100.0
120.08121	51.4
121.02839	13.4
121.06507	44.8
121.10155	18.1
122.07157	21.6
123.08056	28.1
125.05994	5.8
129.07013	13.3
130.07733	4.9
131.08545	47.3
133.06473	12.4
133.10097	25.9
135.08047	88.3
137.09641	17.3
139.03917	12.0
141.06995	9.9
142.07800	15.0
143.08574	17.2
144.09367	9.9
145.02847	29.4
145.06497	13.3
145.10136	29.9
146.07240	7.9
147.08035	50.3
147.11687	15.7
149.05945	9.0
149.09619	13.1
151.07501	7.6
153.07010	5.2
155.08528	7.8
157.10120	26.2
158.07297	27.5
158.10918	6.1
159.08044	45.9
159.11681	47.8
160.08827	5.5
161.09613	40.2
161.13200	4.5
165.09111	35.3
168.09264	5.5
171.08072	7.3
171.11638	12.1
172.08833	26.9
173.09644	21.2
173.13310	17.6
175.07550	85.3
175.11145	41.7
177.05450	44.9
179.43263	4.1
181.10161	5.2
183.11713	15.8
185.09595	9.7
186.10402	5.7
187.11183	50.5
189.09160	13.0
189.12769	18.8
193.08611	27.2
196.08817	5.4
199.11215	15.6
201.12685	41.7
203.10657	49.2
205.12253	5.4
211.11108	21.2
217.12230	27.4
219.13756	12.2
229.12158	26.0
235.13261	10.5
247.13293	40.4
265.14624	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
50.35543	1.3
55.01873	1.8
55.05499	3.2
65.03943	2.6
67.05490	6.9
69.03429	3.9
69.07058	2.5
71.05000	3.1
71.47609	1.9
76.09951	1.5
79.05486	9.5
81.03423	2.2
81.07049	10.0
83.04970	4.8
85.06535	2.8
91.05470	14.3
93.07050	11.3
95.04957	26.2
95.08590	8.4
97.02877	2.0
97.06514	1.5
105.07025	37.9
106.22901	1.4
107.08569	7.3
109.02857	4.0
109.06499	6.5
109.10126	2.7
111.03659	2.7
111.04432	55.7
111.08057	1.7
114.05540	2.3
115.05425	2.8
117.07007	11.2
119.08577	29.4
121.02867	3.5
121.06486	11.1
121.10132	4.6
123.04408	2.6
123.08035	2.9
127.07597	1.3
128.06218	5.0
129.06984	9.3
130.04968	1.9
130.07729	5.1
131.08554	21.8
133.06496	17.8
133.10127	6.6
135.08061	4.2
136.06174	72.0
137.05919	1.7
137.09621	3.3
137.35251	1.4
141.06976	4.3
142.07831	2.5
143.08524	7.2
144.05682	1.7
144.09338	4.9
145.06454	7.4
145.10110	22.3
147.08043	38.8
147.11696	1.9
149.05962	4.8
149.09627	2.7
151.07513	3.2
153.01909	1.8
154.07799	2.3
155.08516	3.8
155.10663	5.9
157.06496	2.8
157.10120	4.8
158.07234	11.6
159.08047	25.1
159.11685	20.9
159.53049	1.5
161.09624	9.2
163.07506	4.2
168.06520	1.5
168.09442	2.2
169.10162	2.1
171.08037	4.6
172.08852	11.0
173.09628	4.4
173.13261	5.8
175.07541	36.5
175.11154	2.3
183.11678	6.7
187.07593	1.7
187.11201	19.3
189.09074	10.7
191.07082	2.1
191.14534	1.7
193.08586	49.1
193.10086	3.1
196.08801	4.0
196.96916	1.6
199.11122	1.5
201.12773	8.3
211.11284	7.1
217.12207	2.7
219.13707	1.5
229.12230	9.2
234.13486	13.9
237.28900	1.4
247.13287	12.2
265.14334	100.0
265.17792	8.5
266.16116	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	265.1545
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
58.06583	0.7
60.08163	0.5
64.07310	0.3
69.03423	0.3
72.08145	4.3
81.04527	1.2
91.05454	1.1
93.07041	1.8
95.04970	0.6
95.08556	0.3
98.97532	0.3
103.05461	6.3
105.07031	0.4
117.07022	0.4
118.06548	1.0
118.08644	1.4
120.08090	100.0
121.08433	1.3
122.07143	7.7
131.04903	0.5
144.04752	1.7
172.34735	0.4
175.07480	0.4
203.07028	0.6
217.97307	0.3
219.14923	3.8
247.13524	0.3
265.05853	1.3
265.10791	0.6
265.15460	7.0
274.84888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
50.60901	0.2
50.80080	0.2
53.03937	0.3
55.05504	12.1
57.05803	1.3
57.07061	0.3
67.05489	0.4
67.14700	0.3
69.03420	0.4
69.07051	0.3
69.23786	0.7
69.24196	0.7
69.24763	0.3
71.83881	0.3
72.08144	100.0
73.08488	0.4
79.05497	0.4
80.35085	0.3
81.04530	0.5
81.07052	0.3
85.02928	0.3
87.00846	0.3
91.05466	0.8
93.07043	1.0
95.04959	0.7
95.08600	0.5
98.97686	0.2
103.05460	0.8
105.07027	1.1
107.08588	0.4
109.06522	0.5
111.04449	0.5
114.05538	1.1
117.07037	0.5
119.08574	1.2
120.08089	17.7
121.02835	0.3
121.06507	0.7
121.08450	0.3
122.07130	4.5
123.08076	0.4
129.06989	0.4
131.04956	0.4
131.08554	0.9
133.06491	0.3
135.08051	0.9
136.06177	0.3
144.04755	1.2
145.02815	0.9
145.10118	0.5
147.04565	0.3
147.08058	0.6
147.11676	0.5
149.05962	0.5
153.01823	1.0
157.10170	0.3
158.07269	0.3
159.08040	0.6
159.11693	0.5
161.09627	0.7
165.09064	0.4
166.08615	9.8
173.13197	0.3
175.07532	0.9
175.11136	0.4
177.05457	1.7
187.07591	0.3
187.11131	0.5
193.08630	0.4
201.12700	0.4
203.10609	0.5
217.12206	0.3
219.10080	0.3
219.14870	0.8
247.13173	0.5
265.07437	0.5
265.10532	1.0
265.15234	11.0
266.15634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07600	0.2
56.96559	1.8
69.03407	0.4
81.03384	0.3
82.99859	0.4
85.02939	0.2
86.06052	0.2
98.97564	3.0
101.00858	2.9
104.10711	0.7
106.96523	0.4
110.55888	0.2
110.97582	0.2
112.45798	0.2
116.98608	2.4
119.01906	10.6
120.01978	0.5
121.01689	0.2
128.98564	0.3
130.93283	0.5
134.99680	1.8
137.02937	2.6
140.98813	0.4
145.04959	0.2
150.05457	1.2
153.00729	0.2
153.01869	1.3
158.99850	1.8
159.99873	0.2
163.02647	0.3
164.03047	0.2
165.99597	0.4
172.94322	0.4
175.02937	0.3
177.00929	22.2
178.01021	1.2
182.99860	0.5
190.95387	0.8
192.98776	0.3
193.03970	0.4
195.01968	0.2
197.01309	0.2
201.00851	1.8
208.96292	0.3
217.04053	3.5
219.01974	25.9
220.02087	1.4
221.02518	0.2
225.00824	1.9
237.02914	0.5
242.03430	0.4
243.01965	10.6
244.02029	0.4
258.99704	0.3
261.03024	100.0
262.03180	5.8
263.03357	0.5
266.03412	0.4
266.06091	0.2
266.13852	0.3
272.95868	0.3
274.97290	0.3
275.04581	0.3
277.00650	0.7
283.96994	0.5
284.04575	1.5
284.07483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03933	0.4
55.05502	0.3
63.85626	0.3
65.54173	0.3
68.05011	1.7
69.03420	2.2
69.32260	1.3
71.04982	4.8
72.08145	1.3
75.35600	0.2
76.01788	0.2
79.01843	4.3
81.07041	0.4
81.68633	0.2
84.04485	1.1
86.06032	0.6
87.00808	1.0
96.04483	1.8
97.02879	2.4
105.01859	0.5
107.01296	0.9
109.02863	0.6
114.05512	100.0
115.05859	0.9
122.07047	0.3
125.02334	3.4
127.07539	0.4
143.03378	6.0
153.01805	59.8
153.02899	4.4
154.02158	0.8
177.05443	0.3
203.03326	0.4
208.13239	0.3
215.85558	0.3
229.12793	0.2
231.08531	0.6
266.06555	16.8
267.06668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.05503	7.4
57.03449	3.2
69.03437	3.1
70.50845	3.5
71.04981	4.3
71.08620	3.9
79.05482	4.9
81.03410	5.0
81.07054	20.5
83.04982	5.8
83.08607	4.7
85.02893	3.7
85.06546	4.4
87.00826	100.0
99.08098	7.6
101.06001	2.2
105.01862	69.6
107.39806	2.1
109.02882	11.2
109.06509	14.1
116.79762	2.0
117.09166	3.7
121.62740	1.9
126.05492	3.9
127.07541	29.0
145.08611	7.6
168.06555	3.6
197.06744	2.3
203.09169	2.1
231.08621	75.3
232.09035	2.3
266.13998	2.9
282.69086	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	7.7
70.87003	2.2
72.94077	1.4
81.03429	8.1
82.01431	3.6
84.03005	17.8
85.01954	1.5
94.11508	1.4
97.50644	1.3
98.09312	1.7
98.23136	2.2
98.97581	4.2
99.04453	4.1
100.02483	28.3
101.00885	2.0
102.04041	34.8
104.01933	1.6
109.99181	1.5
112.02449	1.7
113.41956	1.2
114.03999	3.6
116.05585	2.2
116.98626	2.3
118.03513	51.7
119.01928	4.5
119.03593	1.7
120.01973	1.7
120.05095	9.8
123.04065	2.1
124.03690	3.8
126.04033	2.9
130.03503	5.7
132.05074	8.0
136.04559	25.1
136.06174	18.3
138.05292	7.7
141.05077	33.7
142.03499	4.8
143.05634	2.8
143.06670	34.3
144.05045	6.0
148.04536	1.5
150.06172	7.2
151.04790	31.1
151.53815	1.9
152.03185	20.3
157.03412	1.5
159.06158	32.2
161.07712	54.7
162.06152	2.8
169.04562	5.7
169.05884	5.2
172.73425	1.6
174.97591	3.9
176.86441	1.5
177.00967	2.5
178.01068	8.7
179.00635	2.8
183.06184	3.2
187.05635	100.0
188.05717	3.5
192.98738	2.5
205.06699	62.2
206.06680	1.7
213.10777	1.7
214.05663	1.6
218.04323	1.7
219.02074	2.9
220.02080	10.2
221.01733	5.0
239.08736	17.5
244.02074	4.5
246.01363	2.5
249.08481	5.7
250.00977	1.7
257.09784	2.0
261.03033	4.5
262.03201	50.4
263.02805	10.9
267.09677	13.9
285.02280	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	267.159
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03947	3.5
53.05292	0.5
55.01863	1.9
55.05508	8.1
57.03433	19.1
57.07064	0.5
58.51901	0.4
65.03929	0.6
67.05495	12.8
69.03422	2.7
69.07069	4.2
69.36102	2.2
71.04978	1.1
79.05486	13.9
81.03411	100.0
81.07044	12.1
82.03756	1.0
83.04973	5.1
83.08610	11.7
91.05469	16.3
93.07034	7.4
95.04962	21.0
95.08595	4.8
97.02882	1.8
97.06528	1.9
97.10175	1.1
98.23525	0.5
99.08112	0.6
103.05458	0.6
105.07024	13.1
107.04979	4.3
107.08569	2.9
109.06516	3.2
109.10146	1.3
111.04443	1.2
111.08065	5.5
113.57516	0.6
115.05412	1.5
116.06277	0.5
117.06982	1.6
119.04947	0.7
119.08563	10.4
120.72681	0.5
121.06512	1.8
121.10139	4.2
123.08057	2.4
126.16434	0.5
128.06155	0.9
129.06996	7.2
131.08563	7.0
133.06461	2.4
133.10110	3.4
135.08044	0.7
137.09570	1.3
142.07771	2.0
143.08513	0.8
145.10103	1.4
147.08052	2.9
147.11678	5.9
149.09677	3.9
157.10080	7.3
159.11595	0.6
165.12695	2.2
169.10146	0.8
171.11641	0.7
173.13106	0.6
175.11185	7.9
193.12218	14.7
197.13350	0.6
209.13118	0.8
211.13174	1.3
223.13260	0.7
249.14799	1.2
267.15826	33.2
267.20935	2.1
268.16330	0.7
270.73068	0.5
283.24164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83354	8.8
57.03420	23.1
57.76249	8.9
66.64048	9.3
67.05516	9.7
69.13390	13.1
69.13789	41.5
79.05480	9.9
81.03409	100.0
83.02810	8.7
83.08604	17.8
91.05472	20.3
91.15138	9.0
93.07040	12.1
95.04957	32.1
119.08540	13.9
123.97874	10.4
146.49074	8.6
147.08008	8.8
153.81145	7.7
171.16219	9.0
185.62474	8.7
193.12190	13.1
200.04994	7.8
209.73471	9.9
225.09756	8.4
256.04785	8.9
267.15891	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03949	3.4
55.01865	2.1
55.05506	7.0
57.03434	19.0
61.57835	0.4
65.03945	0.6
67.05498	12.6
69.03425	3.0
69.07063	4.0
70.67313	0.5
71.04977	2.2
73.20141	0.4
79.05486	14.2
81.03412	100.0
81.07050	13.2
81.07410	0.3
82.03735	0.9
83.04974	5.8
83.08611	14.7
85.02877	0.9
85.06527	0.8
91.05470	17.8
93.07039	9.9
95.04961	23.4
95.08601	4.8
97.02885	2.1
97.06532	1.7
97.10162	1.0
99.08087	0.5
105.07022	13.8
105.07727	0.7
107.04961	4.4
107.08598	4.3
109.06510	3.8
109.10148	3.0
110.90633	0.5
111.04426	1.5
111.08051	5.5
115.05461	1.3
117.07015	1.5
119.08569	11.0
121.06504	2.3
121.10130	4.4
123.08066	1.8
123.11717	0.8
129.06989	8.5
131.08557	7.3
133.06485	1.9
133.10118	4.4
135.08093	0.7
135.11664	0.8
136.06296	0.5
136.36098	0.4
137.09622	1.1
142.07767	3.1
143.08533	0.8
145.10112	1.5
147.08051	2.6
147.11674	6.7
149.09601	3.9
149.13165	0.8
157.10123	9.9
159.11662	0.5
163.11150	0.9
165.12701	2.3
171.11591	0.5
175.11174	8.7
192.17476	1.2
193.12225	16.7
197.13159	0.6
211.13203	1.8
211.14967	0.6
221.15295	0.6
235.21657	1.6
245.94969	0.5
247.52498	0.5
249.14835	1.9
267.15863	36.9
267.20795	1.2
268.16211	1.1
276.83884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03946	3.6
55.01862	2.2
55.05508	8.1
57.03432	19.7
67.05499	12.6
69.03421	2.3
69.07062	2.9
69.95580	1.6
71.04982	1.4
76.91317	0.5
79.05042	1.0
79.05482	12.2
81.03409	100.0
81.07049	11.3
82.03753	1.1
83.04975	5.5
83.08613	11.1
85.02880	0.6
87.52945	0.6
87.57870	0.5
89.43178	0.6
91.05473	17.4
93.07028	7.7
95.04962	18.0
95.08601	3.7
97.02859	1.9
97.06512	1.4
97.10123	1.3
105.07019	11.7
107.04949	4.6
107.08580	2.9
109.06519	2.9
109.10168	0.8
111.04438	0.9
111.08089	3.4
115.05424	1.2
117.07027	1.1
119.08575	10.1
121.06501	2.1
121.10130	4.1
123.08064	1.3
129.06107	0.6
129.06999	8.0
131.08543	6.3
133.06476	1.7
133.10115	2.6
137.09590	1.3
142.07755	2.0
145.10094	0.8
147.08008	1.9
147.11691	4.1
149.09598	2.9
157.10094	7.4
165.12727	1.4
175.11145	5.5
193.12219	13.1
211.13290	2.3
249.14990	1.2
267.15863	28.4
268.16223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Grangolide
Peak:m/z	Relative Intensity
50.01585	0.9
52.25406	0.7
53.03923	3.2
55.01848	3.1
55.05508	11.1
57.03435	19.3
57.07059	0.7
59.02325	0.7
59.07469	0.7
65.03916	0.9
67.05174	1.4
67.05500	20.5
69.03417	3.1
69.07072	5.9
71.04974	2.1
71.42719	0.8
77.03925	0.8
79.05052	1.3
79.05488	22.8
79.63802	0.8
81.03413	100.0
81.06570	1.3
81.07050	25.2
83.04969	9.7
83.08618	15.2
85.06520	1.7
87.04482	0.8
91.05473	26.8
93.06534	1.0
93.07039	13.1
95.04962	23.7
95.08599	10.6
97.02866	3.2
97.06524	4.7
97.10162	1.2
99.08105	1.0
103.05482	1.0
105.04493	0.9
105.06364	1.5
105.07027	20.8
107.04944	6.9
107.08618	5.1
109.02898	1.0
109.06496	6.3
109.10109	3.2
111.04379	1.0
111.08078	6.2
113.05982	1.1
115.05428	2.0
117.06953	1.5
119.07762	0.9
119.08571	17.8
121.06480	2.9
121.10133	6.6
123.08005	2.2
123.11669	2.4
128.06253	0.7
129.06998	10.7
131.08575	8.8
132.20624	0.9
133.06450	2.0
133.09338	0.8
133.10135	8.8
135.08005	1.0
135.11667	1.1
137.09546	2.3
142.07755	2.8
143.08548	1.9
145.07611	0.7
145.10063	2.7
147.07990	3.3
147.11673	16.6
149.09593	4.9
149.38043	0.8
157.10098	11.1
163.11121	1.9
165.12775	4.2
167.08502	1.0
171.11641	1.4
172.21860	0.7
173.09578	1.2
175.11168	10.6
175.14751	1.0
178.07707	1.3
181.06465	1.3
183.11652	1.0
185.13171	0.8
193.12225	19.7
205.12216	0.8
207.07999	1.4
211.13184	2.2
224.08165	2.5
235.07449	0.9
239.10777	1.2
249.14577	1.5
252.07718	3.2
267.09958	10.8
267.15799	47.9
267.20978	2.3
268.16245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03934	3.1
53.37970	0.6
55.01862	1.6
55.05502	8.2
56.97895	0.6
57.03136	1.1
57.03429	21.8
65.03940	0.9
66.44115	0.7
67.05492	11.8
69.03416	2.1
69.07057	2.7
69.98154	0.6
69.98509	2.0
71.04980	2.2
79.05037	1.3
79.05482	15.1
81.03406	100.0
81.07046	14.2
82.03712	0.7
83.04976	6.0
83.08606	15.0
91.05468	18.7
91.13898	0.6
93.07037	9.0
94.72436	0.7
94.87920	0.6
95.04960	22.8
95.08596	4.6
97.02889	2.2
97.06518	1.9
97.10146	2.2
99.08107	1.2
101.96587	0.5
105.07011	14.0
107.04939	5.1
107.08566	2.8
108.91713	0.5
109.06523	3.0
109.10143	1.2
111.04372	1.1
111.08086	5.2
115.05439	1.2
116.06191	0.8
117.07010	1.3
119.04979	1.1
119.08559	11.7
120.08960	0.8
121.06456	1.3
121.10114	4.9
123.08032	1.8
123.11689	0.8
129.07005	6.7
131.08556	7.1
133.06470	1.7
133.10106	4.9
135.08063	0.7
137.09575	1.5
142.07710	1.7
145.10129	1.3
147.08020	2.7
147.11674	7.6
149.09624	5.1
157.10115	11.1
163.11176	1.0
165.12720	1.8
175.11128	10.0
193.12219	19.1
205.12187	0.7
211.13231	2.2
235.81952	0.6
249.14935	0.9
252.57916	0.6
267.15860	43.7
268.16193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03946	3.0
55.01869	2.0
55.05507	6.6
57.03434	19.3
60.01145	0.6
65.03945	0.8
67.05505	11.7
69.03422	2.1
69.07056	4.0
71.04996	1.0
71.43536	0.6
79.05492	11.8
81.03412	100.0
81.07047	13.0
82.03750	1.8
82.76421	0.7
83.04984	5.6
83.08616	14.2
85.06528	1.3
91.05474	18.0
93.07039	8.7
95.04964	23.0
95.08594	4.9
95.40050	0.7
97.02866	2.9
97.06520	2.3
97.10133	1.4
103.05483	0.7
105.07029	17.4
107.04954	5.5
107.08588	4.1
109.02795	0.7
109.06505	3.2
109.10148	1.9
111.04425	1.5
111.08083	8.2
115.05445	2.2
117.06980	1.2
119.04908	0.8
119.08570	12.7
121.06490	2.5
121.10135	5.6
123.08047	1.8
123.11705	1.4
127.42445	0.6
129.06987	6.8
131.08554	7.1
133.06464	4.6
133.10120	4.7
135.08075	1.0
135.11665	0.9
137.09575	1.5
142.07721	2.9
143.08559	1.0
145.10123	2.4
147.08008	1.7
147.11668	9.5
149.09612	4.3
149.84167	0.6
157.10106	9.6
159.08127	0.8
161.05927	1.9
163.11163	1.8
165.12726	2.6
173.09531	0.8
173.10960	0.6
175.11180	10.8
185.13161	0.7
189.08887	0.5
193.08559	3.7
193.12222	20.7
194.12677	0.8
205.12178	0.6
211.13194	3.1
221.04398	0.6
223.13225	0.7
231.13780	0.8
237.14742	0.6
239.18002	0.7
249.14824	2.5
267.12311	3.6
267.15814	47.0
268.16190	1.0
274.98502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01865	0.4
55.93894	0.2
57.03424	0.5
63.02953	0.2
69.03426	0.3
70.66605	0.2
73.02930	0.3
80.02962	0.1
84.00927	0.2
85.02900	0.3
94.04042	0.4
98.23320	0.2
102.90800	0.2
104.65540	0.2
108.98699	0.2
111.86295	0.2
115.03882	0.2
119.03516	1.0
127.71742	0.2
133.04950	0.2
136.06175	100.0
137.04591	0.2
137.06642	0.9
161.11281	0.2
268.10394	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.38646	0.2
55.01838	0.5
56.96532	0.3
57.03405	0.6
69.03406	0.5
70.98090	0.3
71.05826	0.2
73.02903	0.4
75.87225	0.1
81.03388	0.3
82.25341	0.1
84.03004	0.2
85.02911	0.3
94.04035	0.3
97.02843	0.2
101.00861	0.2
101.02560	0.2
102.04028	0.3
103.04144	0.3
118.03479	0.4
118.57737	0.1
119.01904	0.3
119.03551	1.4
120.03248	0.2
122.07079	0.2
127.60387	0.2
133.04971	0.2
136.06161	100.0
137.04587	0.7
137.06519	0.6
138.05376	0.4
139.05759	0.6
141.05022	0.2
142.05176	0.3
144.06833	0.2
151.04797	0.7
152.03137	0.4
152.05124	0.6
153.03510	0.4
160.04613	0.2
160.06226	0.4
162.07877	0.5
179.00659	0.3
185.78943	0.2
187.05646	0.5
188.05748	1.1
194.41951	0.1
205.06679	0.3
206.06837	0.8
221.01816	0.5
240.08914	0.3
250.08681	0.2
256.12964	0.1
263.02869	1.7
268.10370	6.3
269.10486	0.2
269.15054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22048	2.0
69.90600	4.0
69.90929	4.4
70.02441	2.0
94.93049	3.1
98.22817	4.0
98.23351	3.0
112.89603	12.0
116.72015	2.2
119.14153	2.2
134.96021	2.6
136.94014	7.1
157.77861	2.2
162.95654	4.9
178.95180	2.9
218.46185	2.1
222.97728	2.8
247.19284	2.1
250.97025	2.3
260.85724	2.5
268.98230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.5
55.05503	13.5
67.05495	22.8
69.03426	14.6
69.07055	18.9
69.60088	6.1
69.60413	21.4
71.04983	17.8
79.05483	45.6
81.03416	13.1
81.07045	46.7
83.04983	37.3
85.06528	8.7
91.05477	38.8
93.07035	53.7
95.04966	22.6
95.08597	29.2
97.02881	6.6
97.06528	20.5
99.04446	26.2
105.07021	65.6
107.04943	22.2
107.08596	38.3
109.06517	39.7
109.10109	8.4
111.04412	5.8
115.05445	8.4
117.07000	22.8
119.08578	19.4
121.06461	29.7
121.10120	17.5
125.05967	20.5
129.07021	8.4
130.07773	9.5
131.08534	35.1
133.06461	10.2
133.10052	9.2
135.08037	25.0
135.11688	18.0
137.06003	27.5
137.09636	6.1
139.07588	9.4
143.08571	18.1
145.06508	11.8
145.10114	100.0
147.08072	14.1
149.09625	8.7
151.07504	8.1
155.08549	7.3
159.11636	46.4
161.09552	7.5
163.11148	69.8
169.10081	19.6
173.09622	48.4
175.11108	6.2
181.06465	6.8
181.12181	20.7
187.11124	55.1
191.10667	45.0
197.09660	17.1
205.12239	28.3
209.11670	14.2
215.10654	45.2
233.11670	33.3
251.12677	14.1
269.08096	14.7
269.11514	10.3
269.18927	20.6
277.60092	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	269.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06139	4.2
55.05486	8.5
67.05492	12.2
69.07056	15.7
71.04989	8.2
71.43466	4.4
72.70833	4.9
79.05465	28.6
81.07044	40.2
81.70933	4.6
83.04978	6.9
83.05435	4.5
83.08613	4.5
85.06526	6.3
91.05458	21.3
91.63626	4.4
93.06603	3.8
93.07048	40.6
95.04929	8.2
95.08595	26.0
97.06512	15.7
99.04445	8.9
102.23187	4.2
105.07009	28.8
107.04937	13.6
107.08569	28.3
109.06472	8.8
116.87895	4.3
117.07002	9.5
119.04997	4.2
119.08571	9.1
120.36063	4.7
121.06497	18.9
121.10153	6.8
124.18019	3.8
125.05958	16.5
131.08531	4.7
135.08012	6.2
135.11693	14.7
135.56151	4.5
137.05942	7.9
139.07487	6.0
141.06992	4.8
145.06432	4.4
145.10115	53.5
147.11655	11.7
159.11653	21.8
163.11159	100.0
169.10217	9.9
173.09619	46.3
179.08449	4.3
181.12140	36.9
187.11145	19.7
191.10606	21.7
205.12206	15.3
212.04695	8.0
215.10648	18.7
227.06996	16.1
227.12726	13.1
233.11636	12.1
235.01750	4.6
251.12807	6.1
255.06458	18.4
269.08075	7.7
269.19180	21.1
270.08914	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
67.05496	13.7
69.03423	4.2
69.07062	11.1
70.78481	5.3
79.05491	29.1
81.03405	4.1
81.07046	34.1
83.04980	4.7
91.05464	21.6
93.07025	27.3
95.04987	8.3
95.08599	26.4
97.06543	15.3
99.04454	7.1
105.07020	29.2
107.04926	18.6
107.08592	21.8
109.06514	7.9
109.10143	7.3
117.07014	5.6
119.04953	6.5
119.08588	10.2
121.06493	17.5
121.10149	9.5
124.82397	3.9
125.05978	14.6
129.07050	4.2
130.92445	3.9
131.08540	8.6
133.06517	5.9
133.10088	5.9
135.08041	8.9
135.11678	17.3
137.13179	6.1
139.07513	4.2
143.08595	6.9
145.10115	51.8
147.11667	8.9
159.11690	13.5
163.11156	100.0
168.31113	4.4
169.10165	6.4
173.09607	44.5
181.12196	46.3
187.11089	24.4
191.10646	13.0
197.09590	5.3
205.12236	8.4
215.10634	17.7
227.12766	12.1
233.11760	17.3
269.19034	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	269.1382
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.03933	5.6
55.05500	20.7
56.92077	5.4
57.03435	9.3
58.93475	6.2
67.05503	41.6
69.07058	25.1
70.34378	7.3
71.04991	10.1
79.05465	37.8
81.07050	55.4
83.04992	7.3
83.08589	10.3
85.06557	8.1
91.05468	39.9
93.07013	37.7
95.04963	15.2
95.08586	28.1
97.06514	31.5
97.10152	9.7
99.04436	8.9
105.07010	43.9
107.04963	10.0
107.08583	36.2
109.06518	17.1
109.10149	15.0
110.55080	5.2
117.07018	17.7
119.04930	9.5
119.08578	20.9
121.06499	23.4
121.10173	10.0
123.08041	7.0
125.05986	17.3
131.08586	24.4
133.06461	7.8
133.10121	20.4
137.09567	8.3
141.07036	8.1
143.08566	16.2
145.06465	7.8
145.10081	65.5
147.11658	10.6
149.13272	14.2
157.10136	16.8
159.11667	29.7
163.11166	66.7
168.48465	5.3
169.04445	5.8
169.10194	6.9
171.11658	12.9
173.09581	29.9
181.10118	7.0
185.13332	6.2
187.11234	28.1
190.35274	6.3
191.10713	9.3
193.20599	6.3
199.14845	6.2
205.12268	18.6
209.09688	8.4
209.13223	15.4
213.16582	6.4
215.10695	17.9
233.11737	9.5
241.08394	9.0
251.17966	23.6
251.20291	6.9
269.08182	15.8
269.11737	19.6
269.15448	5.4
269.16016	6.7
269.18997	100.0
269.22586	17.7
270.19458	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.05500	20.7
56.92077	5.4
57.03435	9.3
58.93475	6.2
67.05503	41.6
69.07058	25.1
70.34378	7.3
71.04991	10.1
79.05465	37.8
81.07050	55.4
83.04992	7.3
83.08589	10.3
85.06557	8.1
91.05468	39.9
93.07013	37.7
95.04963	15.2
95.08586	28.1
97.06514	31.5
97.10152	9.7
99.04436	8.9
105.07010	43.9
107.04963	10.0
107.08583	36.2
109.06518	17.1
109.10149	15.0
110.55080	5.2
117.07018	17.7
119.04930	9.5
119.08578	20.9
121.06499	23.4
121.10173	10.0
123.08041	7.0
125.05986	17.3
131.08586	24.4
133.06461	7.8
133.10121	20.4
137.09567	8.3
141.07036	8.1
143.08566	16.2
145.06465	7.8
145.10081	65.5
147.11658	10.6
149.13272	14.2
157.10136	16.8
159.11667	29.7
163.11166	66.7
168.48465	5.3
169.04445	5.8
169.10194	6.9
171.11658	12.9
173.09581	29.9
181.10118	7.0
185.13332	6.2
187.11234	28.1
190.35274	6.3
191.10713	9.3
193.20599	6.3
199.14845	6.2
205.12268	18.6
209.09688	8.4
209.13223	15.4
213.16582	6.4
215.10695	17.9
233.11737	9.5
241.08394	9.0
251.17966	23.6
251.20291	6.9
269.08182	15.8
269.11737	19.6
269.15448	5.4
269.16016	6.7
269.18997	100.0
269.22586	17.7
270.19458	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01846	3.3
55.05262	1.3
55.05507	21.6
57.03432	31.2
57.07057	3.7
58.80954	1.0
63.22314	1.0
65.03911	2.8
67.05501	71.7
69.06720	1.5
69.07064	27.7
69.08157	5.7
71.04974	6.2
79.05486	47.6
79.47791	0.9
81.03392	4.0
81.07050	100.0
83.04964	8.9
83.08614	15.8
85.02901	1.3
85.06531	5.9
91.04945	1.6
91.05473	27.6
93.07038	66.7
95.04946	8.2
95.08598	25.5
97.06528	15.5
97.10135	3.2
99.04459	1.0
99.08060	3.1
105.04530	2.1
105.07043	9.5
106.11777	1.1
107.08585	32.8
109.06464	2.8
109.10114	4.6
111.08057	9.0
113.09650	1.8
117.07023	9.2
119.08561	5.4
121.06502	1.5
121.10139	14.9
121.34157	1.1
123.11672	4.3
125.06013	0.9
125.09614	1.4
129.06932	1.0
130.98643	1.0
131.08540	12.7
133.10103	13.7
135.08061	1.4
135.11688	12.6
139.11188	1.7
142.07683	1.3
143.08426	1.2
145.10014	1.6
147.11652	1.8
149.09599	1.1
149.13248	36.6
151.11108	2.2
157.10037	1.3
159.11685	19.3
167.14262	1.7
177.12752	9.2
195.13814	11.3
204.58499	1.4
207.47383	1.1
210.29289	0.9
211.10695	1.3
213.14793	1.2
217.35342	1.2
269.17377	46.1
269.22522	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42710	0.8
52.65079	0.8
53.03923	2.1
55.01860	4.2
55.05503	19.5
57.03433	32.1
57.07068	5.4
65.03904	2.4
65.37321	0.8
67.05498	74.8
69.07066	28.0
69.69178	3.5
71.04989	5.8
71.08595	1.8
73.02894	1.5
75.19846	1.0
77.03874	1.1
79.05487	44.6
79.89822	0.8
81.03377	2.1
81.07050	100.0
82.07379	1.1
83.04980	9.0
83.08617	18.7
85.02818	0.9
85.06540	5.6
91.04964	1.3
91.05466	20.1
93.07036	65.5
95.04953	9.3
95.08601	24.5
97.05901	0.9
97.06519	15.4
97.10126	1.4
98.22791	1.2
99.08083	4.3
105.04498	2.4
105.07030	8.8
107.08586	34.3
109.06478	2.1
109.07127	0.8
109.10143	4.8
111.07431	0.9
111.08066	10.2
111.08776	1.5
113.09544	1.1
115.05379	1.1
117.06993	8.4
119.08476	2.9
121.06449	2.6
121.10134	23.2
123.11632	3.2
125.09571	1.3
131.08546	10.9
133.10097	8.9
135.07985	1.9
135.11679	10.4
139.11081	2.7
145.10005	1.6
147.11636	2.1
149.09535	1.6
149.13243	48.0
157.10092	2.0
159.11671	20.8
167.06958	1.3
177.05362	3.1
177.12726	8.7
177.34735	0.9
190.99251	0.9
195.13771	11.3
209.13109	1.2
211.10638	1.3
227.38872	0.9
251.17813	1.6
269.07922	2.6
269.11182	2.6
269.17276	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	1.2
53.22901	0.9
55.01854	4.0
55.05509	21.1
57.03432	40.7
57.07058	4.4
65.03909	3.0
65.63314	1.0
66.83652	1.0
67.05499	90.6
69.07064	36.2
69.17808	4.0
69.18229	3.3
71.04979	5.6
77.03918	1.7
79.05485	47.2
80.05851	1.5
81.03401	3.7
81.07050	100.0
83.04964	11.5
83.08611	22.0
85.06533	6.6
91.05474	26.7
93.07038	77.7
95.04967	8.1
95.08019	1.8
95.08602	27.8
97.06512	17.2
97.10130	2.7
99.04425	1.1
99.08079	4.8
105.04508	2.4
105.07026	10.0
107.08582	38.9
109.06499	4.0
109.10138	3.9
111.08073	10.2
111.11716	1.5
113.05968	1.3
113.09632	1.5
117.07009	10.9
119.08571	3.0
121.06503	1.3
121.09285	1.3
121.10140	24.6
123.11707	2.9
125.09623	1.5
131.08543	10.6
133.10110	9.2
135.08032	1.4
135.11684	11.1
139.11156	3.0
145.10052	1.8
147.11659	2.6
149.13248	57.9
159.11687	24.7
161.13171	1.0
167.14278	1.7
177.12726	12.1
195.13785	14.2
211.10809	1.3
213.14751	1.2
269.08041	1.4
269.11240	1.7
269.17432	45.3
269.22571	9.9
270.17615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	2.9
55.01865	3.2
55.05508	22.2
57.03432	39.6
57.07087	5.6
59.04991	1.1
65.03940	2.2
67.05499	79.4
68.05805	1.1
69.07062	37.5
69.85973	4.2
71.04987	8.4
72.20965	1.2
73.02943	1.6
73.35486	1.1
77.03936	1.2
79.05488	47.1
79.05952	2.6
81.03416	1.9
81.07048	100.0
82.07372	1.5
83.04980	10.4
83.08612	20.3
85.06538	4.9
91.05470	21.9
93.07036	76.6
95.04939	10.0
95.08595	27.6
97.06528	15.6
97.10160	1.5
98.23390	1.8
99.08090	3.9
99.65369	1.0
104.99260	2.9
105.04536	2.0
105.07005	8.4
107.04999	1.4
107.08579	43.4
109.06490	4.6
109.10161	5.6
111.08057	8.6
113.09673	1.9
117.07011	8.7
119.08549	3.2
121.06491	1.8
121.10134	24.4
123.11687	2.0
125.09611	1.8
131.08549	8.9
133.10126	11.3
135.08075	2.6
135.11674	10.0
136.06181	1.5
139.11198	2.8
149.13240	53.9
151.11191	1.5
155.16229	1.2
159.11665	22.4
177.12770	9.2
195.13762	12.1
211.10847	1.9
213.14658	1.6
261.65109	1.4
269.11234	2.8
269.17422	36.2
269.22684	4.2
270.17905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.47250	1.0
53.03934	3.0
53.30193	1.0
55.01857	3.5
55.05255	1.5
55.05506	20.9
57.03430	37.3
57.07061	2.3
65.03926	1.9
66.92419	0.9
67.05496	81.8
69.07056	31.0
69.07362	0.6
69.07434	1.0
71.04980	6.9
73.02902	1.2
77.03941	1.3
79.05483	52.1
81.03407	2.8
81.07046	100.0
82.07398	1.2
83.04967	13.0
83.08612	19.3
85.06521	5.7
91.05469	28.5
93.07031	70.2
94.07355	1.6
95.04952	8.3
95.08590	25.9
97.06518	15.8
97.10140	1.9
99.08072	3.9
105.04494	2.2
105.07011	10.7
107.08578	35.9
109.06501	3.2
109.10130	3.4
111.08064	9.4
111.11662	1.6
115.05473	1.1
117.07000	9.7
119.08557	2.3
121.06491	1.6
121.10131	20.1
121.28065	0.9
123.11681	4.5
127.07607	1.0
131.08545	11.3
133.10110	13.2
134.10352	1.2
135.08055	1.4
135.11697	10.6
139.11102	1.6
147.11627	1.6
149.13240	40.5
150.13603	0.9
151.11156	1.7
159.10390	1.0
159.11696	20.8
167.14319	1.2
177.12712	10.1
179.95775	0.9
195.13794	11.9
201.12775	1.0
211.10681	1.3
242.92270	0.9
269.17435	47.4
270.17731	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	2.1
55.01851	3.4
55.05507	20.3
57.03436	33.8
57.07075	6.6
60.64431	1.0
65.03911	2.0
67.05501	79.8
69.03398	1.5
69.07063	31.2
69.77461	3.9
71.04998	7.2
79.05490	51.8
81.03389	2.2
81.07052	100.0
82.07370	1.4
83.04968	10.8
83.08620	20.5
85.06529	6.7
91.04946	1.7
91.05473	21.7
93.07040	75.5
95.04960	8.5
95.08600	28.9
96.51733	1.1
97.05965	1.3
97.06531	14.6
97.10126	2.4
98.23125	2.8
99.04415	1.3
99.08051	3.5
100.11234	1.5
105.04475	1.2
105.07014	9.2
107.08588	42.0
109.06486	3.7
109.10101	4.2
111.08079	11.2
111.11597	1.1
113.09567	1.3
117.06997	10.5
119.08548	3.3
121.06523	1.7
121.10138	25.0
123.07981	1.3
123.11663	3.0
125.09655	1.7
127.07466	1.5
131.08554	12.2
133.10100	9.6
135.08049	1.0
135.11685	11.3
139.11134	2.4
145.10114	2.1
147.11617	3.0
148.53697	1.0
149.13246	48.1
150.13564	1.1
153.09021	1.2
157.10089	1.2
159.11681	19.7
167.14160	1.3
169.04814	1.6
170.05682	1.2
177.12726	10.1
195.13763	12.2
211.10565	1.2
213.08875	1.1
251.17819	2.0
269.11301	3.3
269.17355	38.2
269.21854	2.0
270.17545	2.0
280.20633	1.0
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	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01865	3.4
55.05502	22.4
57.03431	34.4
57.07065	2.6
59.04954	1.2
65.03925	2.4
67.05499	77.5
69.07058	25.5
69.26550	2.3
69.26956	5.1
71.04992	7.2
77.03899	1.6
79.05482	47.5
81.03391	3.4
81.07047	100.0
83.04974	9.5
83.08606	18.3
85.06533	6.0
90.58965	1.1
91.05470	27.0
93.07034	67.8
95.04958	7.3
95.08595	28.0
97.06519	17.4
97.10147	1.7
98.15129	1.3
99.08086	5.4
105.07024	10.4
107.08585	34.7
109.06495	2.9
109.10141	3.5
111.08082	10.3
113.09629	1.9
115.05444	1.2
117.07016	10.7
119.08582	2.4
121.10126	19.9
123.08017	1.1
123.11685	6.2
125.09647	1.3
131.08557	12.0
133.10117	11.2
135.07996	2.8
135.11690	9.7
147.11668	1.7
149.09506	1.2
149.13239	41.7
151.11197	1.4
159.11678	19.9
161.13258	1.9
177.12764	11.8
195.13795	14.3
211.10818	1.2
269.17426	44.6
270.17734	1.7
279.60635	1.3
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
53.03941	2.9
55.01855	3.5
55.05504	26.6
55.31683	0.8
57.03431	36.4
57.07064	4.8
65.03928	2.5
67.05496	77.0
69.03442	0.9
69.06714	2.0
69.07061	28.4
69.22786	4.6
71.04971	7.0
71.08607	1.0
72.67921	0.9
73.02927	1.5
77.03908	1.7
79.05482	51.3
81.03378	2.1
81.07046	100.0
83.04966	12.7
83.08607	18.1
85.06521	5.2
87.06580	0.9
91.05468	29.8
93.07032	73.5
94.07346	1.0
95.04964	8.6
95.08591	26.9
96.09062	1.0
97.06525	16.8
97.10159	2.3
98.60110	0.9
99.08064	4.2
105.04515	2.4
105.07014	10.4
107.08585	33.7
109.06486	2.9
109.10123	5.4
111.08079	9.3
116.06115	0.9
117.07008	12.0
119.08560	3.1
121.06432	2.5
121.10122	22.6
123.08002	1.0
123.11674	4.8
125.09640	1.3
126.21024	1.0
127.57735	1.0
131.08530	13.3
133.10101	10.1
135.08014	3.3
135.11656	10.8
139.11188	1.9
147.11644	1.9
149.09618	5.6
149.13232	38.8
150.29448	1.0
151.11171	1.9
159.11661	22.5
167.14227	2.2
177.09084	1.7
177.12715	12.9
195.13786	12.5
209.11746	1.6
269.17426	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62757	1.0
53.03945	1.9
55.01854	2.2
55.05261	1.6
55.05507	24.4
57.03431	29.8
57.07053	3.0
62.03401	1.0
65.03933	2.9
67.05499	77.2
69.06705	2.0
69.07062	28.1
69.73105	4.1
71.04993	6.6
71.08611	1.2
77.03883	1.2
79.05486	49.7
79.05946	2.5
79.50526	1.2
81.03382	2.0
81.07047	100.0
82.07375	1.9
83.04964	9.9
83.08613	17.8
85.06516	5.7
91.04937	2.3
91.05472	27.4
93.07035	73.4
94.07346	1.5
95.04973	7.4
95.08024	2.1
95.08597	24.8
97.06519	14.6
97.10147	1.8
99.08098	3.2
104.99255	1.5
105.04516	1.5
105.07024	13.0
107.08589	32.2
109.06483	3.1
109.10136	4.7
111.08080	7.8
117.07036	9.6
119.08541	3.0
121.10133	19.7
123.11693	3.5
131.08553	12.1
133.10114	13.6
135.08061	1.4
135.11693	12.4
135.72755	1.1
139.11147	1.7
147.11691	1.3
149.09615	2.3
149.13243	38.1
150.13634	1.2
151.11150	3.3
159.11699	17.3
161.13239	1.3
165.18878	1.1
175.49455	1.2
177.12717	8.7
195.13803	13.1
211.10794	1.9
269.11328	2.0
269.17429	45.4
270.17694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51427	4.8
56.96566	64.6
57.03414	4.6
57.07072	5.5
63.81393	4.6
68.05012	10.5
69.03429	11.4
69.65678	19.1
71.57547	4.8
73.02895	6.8
73.06547	10.0
81.03407	5.8
81.07030	11.7
85.02887	21.0
95.06084	100.0
97.02888	7.2
98.22777	5.6
98.97576	62.8
101.42989	4.7
101.63737	5.3
108.63522	4.9
110.97620	7.1
116.98603	60.4
119.01897	11.3
127.03913	10.9
130.93275	13.9
134.99637	28.4
138.05490	55.1
143.00189	7.7
145.04933	12.5
146.99632	7.6
151.12314	13.1
153.01846	7.6
161.01225	12.3
163.46570	5.4
172.94339	17.4
174.97615	10.5
179.02312	10.3
181.00487	6.5
185.06891	4.3
190.95360	27.0
193.13377	7.5
203.05865	7.8
208.96405	8.8
211.14426	69.3
216.96922	10.8
216.98763	10.4
223.01434	6.6
232.96408	12.6
234.99915	8.3
241.97112	5.2
246.91202	5.2
247.01328	15.3
265.02576	32.7
270.07288	30.1
270.09872	7.0
270.15509	6.3
270.21759	76.0
274.97372	8.2
287.97748	7.4
288.92297	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	270.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.1
56.96564	22.1
57.07085	4.8
59.04991	18.0
70.06567	4.9
71.08650	5.9
71.41970	4.7
73.02900	5.3
75.04479	11.0
81.07055	8.9
87.04453	29.6
95.06073	48.1
98.23446	18.7
98.97588	17.7
103.03947	11.1
116.98597	14.7
119.03414	35.2
130.93251	5.8
131.03360	12.1
134.99663	8.5
136.06178	20.7
138.05489	12.1
153.01765	12.2
161.01166	5.3
161.04430	24.4
172.94408	7.0
182.05624	7.7
193.13434	6.2
193.41789	4.7
211.14403	49.8
217.03397	100.0
235.04529	24.8
245.03308	5.6
270.09756	5.1
270.13193	9.5
270.21698	45.4
270.27994	5.3
271.04092	6.6
271.11490	14.2
291.41989	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	271.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.9
61.03986	3.8
67.05501	4.1
69.03406	5.2
71.04926	3.6
75.76534	3.3
79.05527	4.3
81.03401	4.3
81.07035	6.3
93.07038	4.8
95.08648	5.9
97.06522	3.6
99.04464	6.5
104.22385	3.8
105.07044	3.7
107.08664	3.9
116.98566	5.5
127.00002	6.5
127.03897	5.0
139.03964	3.4
149.05949	4.7
167.03140	32.9
185.04161	5.4
210.14825	27.7
227.05237	9.9
271.04156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0787
Annotation	Micrandrol C
Peak:m/z	Relative Intensity
53.37742	1.8
55.01863	2.3
55.06148	1.9
57.03440	2.4
60.99373	1.8
67.05491	2.6
69.03401	3.6
70.71289	3.9
71.04951	3.2
81.07039	5.0
83.04959	2.3
85.02944	2.2
85.06489	2.4
91.05441	3.6
95.08585	3.2
97.06480	2.5
105.07019	2.3
107.04938	2.9
107.08570	3.9
109.06484	2.5
109.10118	5.8
114.51877	2.0
121.06480	2.5
123.04395	5.0
123.07954	2.8
127.00031	27.2
127.11134	3.5
132.57184	2.0
137.05971	44.3
137.09584	3.8
149.05702	4.2
149.09558	3.0
151.11215	2.4
153.06952	2.4
155.10684	2.6
165.05658	2.3
165.06969	9.0
167.01521	2.3
167.06772	8.8
168.05658	2.9
179.06993	6.6
181.08307	5.6
182.03917	7.5
183.08072	4.2
185.07928	2.2
185.09486	2.0
196.05133	5.0
197.05981	2.2
203.03319	3.1
209.07800	10.4
211.07503	8.5
225.07362	13.8
227.79782	2.2
228.07558	3.9
235.16888	2.7
256.07233	2.8
270.27911	2.1
271.07794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
55.01870	2.0
55.05490	0.4
57.03428	0.3
58.25944	0.3
67.05475	0.7
68.99776	0.6
69.07033	0.6
69.67107	0.6
69.67471	0.6
75.89926	0.3
79.05473	0.9
81.07018	0.8
85.06489	0.3
91.05476	1.7
92.93150	0.3
93.07008	0.8
95.04977	0.4
95.08620	1.7
98.23411	0.4
105.06995	0.9
107.08568	1.3
109.10116	0.4
115.05428	1.2
117.06990	0.7
119.04919	1.2
119.08538	0.4
121.06470	0.4
123.04445	0.4
128.06195	0.6
129.06985	0.8
131.08516	0.9
133.06433	0.4
133.10201	0.3
135.11708	0.4
137.05940	0.4
141.06975	3.5
143.08513	0.5
145.06432	0.7
145.10094	0.8
147.11685	0.5
149.05901	0.4
152.06212	1.0
153.06985	3.3
154.07750	3.3
155.08540	4.0
157.06448	0.4
157.10077	0.6
159.11646	1.0
160.05154	0.4
165.06979	9.3
166.07779	1.7
167.08528	0.6
168.05702	2.7
169.06462	3.1
169.10112	6.4
171.08037	0.5
173.05956	2.5
173.09641	0.8
174.06723	0.6
175.07520	0.6
175.11188	1.1
178.07767	2.9
179.08536	18.0
180.08954	0.5
181.06476	2.5
181.10059	1.5
182.07286	3.0
183.04317	0.4
183.08026	10.3
184.08452	0.4
185.05927	0.6
185.09583	0.7
186.06721	0.9
187.07584	1.8
187.11073	0.6
189.06953	0.5
193.06421	2.8
194.07217	1.2
195.08035	0.9
196.05179	1.1
197.05956	7.4
197.09596	15.8
198.06645	0.9
199.03908	0.5
199.07495	1.1
200.08328	0.5
201.09081	17.9
202.09421	0.4
207.08025	14.8
208.08746	0.9
209.06038	0.6
209.09555	2.1
210.06737	10.2
211.07512	34.9
212.08221	4.9
213.05388	0.7
213.08986	0.5
214.06216	0.9
215.07053	0.8
215.10638	2.5
221.05962	0.6
223.07477	0.4
224.08261	0.3
225.09071	100.0
226.09474	3.3
227.06860	0.4
227.10626	1.0
229.04990	0.7
229.08575	6.5
235.07539	0.9
238.32188	0.3
239.06958	0.4
242.05766	2.5
243.06418	0.6
243.10150	8.5
243.14867	0.5
253.08568	15.9
253.19490	1.2
254.09003	0.4
271.09619	53.5
271.20572	3.4
272.09982	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01868	4.3
55.05528	0.7
65.03928	1.2
67.04525	0.7
67.05481	2.3
69.03419	0.8
69.07053	1.8
69.60608	1.6
69.60994	2.0
79.05470	2.5
81.03415	1.3
81.07023	3.1
83.04954	1.0
83.23988	0.7
85.06523	1.9
89.03896	1.6
91.05463	10.5
93.07029	2.1
95.04949	2.8
95.08580	2.7
97.06523	1.1
103.05453	1.0
105.07014	3.7
107.04936	2.8
107.08591	1.5
109.02881	1.2
109.06500	0.8
109.10129	1.5
111.04446	0.9
115.05421	3.2
118.04174	1.9
119.04938	8.5
119.08568	2.2
119.11781	0.7
120.13216	0.8
121.06504	3.2
121.10167	0.9
123.04392	1.1
123.08125	0.9
125.05901	1.0
128.06107	1.2
129.06981	2.3
131.08557	1.8
133.10106	1.7
134.03665	1.1
135.04353	1.4
137.05959	4.9
140.06201	1.2
141.06970	6.2
142.07681	1.2
142.37343	0.9
145.06535	1.1
145.10095	1.4
147.04335	1.6
147.11690	1.4
149.05945	2.6
150.06718	0.9
152.06172	7.4
153.06975	25.1
154.07738	3.8
155.08528	12.6
157.06482	2.8
157.10043	1.1
159.11642	1.0
164.06200	0.9
165.06981	53.7
166.07489	1.4
167.08600	1.2
168.05685	11.3
169.06468	4.1
169.10016	0.9
170.07246	1.7
171.08003	1.5
171.11763	1.1
175.11159	1.3
179.04866	0.9
179.08514	0.9
181.06468	15.7
182.07220	5.2
183.08043	31.1
184.08482	0.8
185.05922	4.8
193.06291	9.6
194.07195	1.3
195.08105	1.4
196.05167	15.9
196.06921	1.2
197.05995	6.1
197.07686	1.3
197.09691	0.7
197.13248	1.2
198.06734	1.8
199.07489	2.4
200.08263	3.0
201.09142	1.2
207.04385	3.2
209.05893	2.4
210.06738	4.5
211.07507	60.2
212.08221	7.9
213.05484	5.6
213.09045	1.7
215.10692	1.0
221.05948	10.7
225.05441	3.2
225.09041	4.2
227.06992	3.5
228.07654	10.2
239.06989	22.5
240.07707	8.8
241.04968	0.9
241.08290	0.9
242.09299	4.0
243.10156	4.6
253.08739	1.8
253.19569	1.5
256.07104	7.6
257.07889	1.5
271.09595	100.0
271.16983	1.9
271.20502	3.1
272.09955	3.1
276.30438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44415	0.3
55.01857	0.5
55.05495	0.5
57.03429	2.8
59.82198	0.4
69.07079	0.3
71.42191	0.5
73.75146	0.4
75.04463	1.4
79.05476	0.9
81.03407	0.6
81.07040	0.7
84.08114	0.5
85.06523	0.5
91.05467	1.7
94.04194	0.6
95.04940	0.5
99.06989	0.4
105.07018	1.0
107.04951	1.4
109.02878	0.4
109.04848	0.4
109.06535	0.4
115.05413	0.4
117.07024	0.4
119.04883	0.5
120.46817	0.4
121.06484	1.6
121.10079	0.4
122.03641	1.7
123.04398	0.6
127.00024	3.1
135.04399	0.5
137.05962	100.0
138.06320	2.0
149.05934	1.7
149.09450	0.4
151.07460	0.8
153.06960	0.5
161.05975	3.3
161.09573	1.0
164.04750	0.5
165.06964	1.0
167.06731	1.0
175.07535	3.8
179.07018	10.8
181.08440	0.8
182.03979	0.7
183.08006	0.7
185.39650	0.3
189.08986	2.3
195.06543	0.7
205.74222	0.4
207.10176	2.1
209.07820	0.9
211.07544	2.0
214.74998	0.4
219.17091	0.4
225.07262	1.5
225.15884	0.5
227.09064	0.5
228.07352	0.7
235.09593	0.8
239.06940	1.0
240.07747	0.5
253.10651	1.6
256.07297	0.6
271.07727	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	271.144
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
53.00280	0.9
55.05524	1.0
58.06591	1.8
64.36711	1.0
66.91949	1.0
67.05477	1.3
68.05019	1.0
69.73355	4.3
74.57698	1.0
79.05463	3.1
81.05786	1.7
81.07037	1.8
87.04459	1.1
93.05787	1.8
95.04923	1.2
96.08122	3.9
103.51823	1.0
105.07072	2.3
106.06523	4.0
108.08110	15.8
122.09637	1.8
129.06973	1.7
133.10168	1.0
134.05971	1.7
136.07552	3.6
143.08476	1.3
144.08017	1.2
146.09616	1.4
154.06575	1.7
156.08031	1.2
157.10097	1.8
165.07074	1.1
168.08051	5.0
169.08838	6.4
172.07576	1.9
174.09125	3.0
180.08025	1.1
181.10117	2.3
182.05917	2.1
182.09605	2.4
183.10413	8.1
184.07632	1.2
185.10675	3.1
186.09149	1.3
186.11462	3.3
195.09203	1.6
196.07533	8.1
197.08339	15.6
198.09038	3.6
198.12758	8.3
199.08626	11.0
199.12314	2.7
200.09239	1.1
200.13057	2.1
208.11092	2.1
210.09094	3.5
210.11143	1.3
211.09908	26.8
212.23807	1.0
213.10216	21.2
214.10895	7.6
215.15381	5.3
225.13826	1.0
226.12244	52.2
227.08328	1.2
227.11732	19.2
228.12546	39.1
228.14728	2.1
239.11679	1.8
241.09685	2.0
241.13278	1.5
242.10471	3.2
243.14891	34.6
253.13298	7.2
254.11731	4.0
254.24887	2.1
255.11284	11.3
256.12021	20.3
271.14383	100.0
272.14609	2.9
272.25903	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	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01861	4.0
55.05504	39.1
57.03430	25.1
57.07074	2.8
58.19240	1.1
65.03942	2.1
67.05495	58.2
69.03412	2.4
69.07058	31.2
71.04984	12.3
73.06550	1.8
77.03912	1.3
78.94316	1.3
79.05481	27.2
81.03455	1.5
81.07046	91.2
82.07381	1.5
83.04974	5.4
83.08606	23.5
85.06528	13.0
91.05468	26.2
93.07027	23.4
95.04964	4.7
95.08590	100.0
96.08917	1.8
97.06519	17.2
97.10164	6.9
99.08072	5.5
105.04530	1.6
105.07015	19.4
107.04937	1.9
107.08571	10.0
109.06504	3.7
109.10145	14.9
111.08077	4.4
113.09706	1.4
115.07565	1.2
117.07024	2.0
119.04990	1.8
119.08566	24.3
121.06530	2.0
121.10145	7.2
123.04428	1.2
123.08051	6.8
123.11729	2.3
125.09620	1.6
129.06999	2.3
131.08578	4.0
133.10103	14.5
135.11650	8.2
137.05992	1.6
137.09641	4.5
137.13228	6.7
141.06944	1.4
143.08533	3.5
145.10143	5.5
147.11679	3.2
153.06964	4.7
155.08551	3.8
157.10126	2.9
159.11687	4.9
161.09659	1.5
161.13228	28.4
165.06976	12.7
168.05711	2.8
169.06551	2.7
169.10091	3.5
171.11693	2.5
173.13289	2.9
179.14294	14.0
181.06477	4.2
182.07260	1.7
183.08044	7.6
183.11702	2.9
185.13223	2.5
193.06456	2.0
196.05069	1.7
197.13277	1.8
197.15334	2.6
200.08307	1.6
210.06859	1.3
211.07486	6.2
211.14827	1.6
213.05252	1.2
221.05809	1.4
225.09145	2.2
228.07625	1.2
231.52075	1.4
239.07047	2.6
243.10146	1.8
253.19756	10.4
271.06369	2.3
271.09592	16.7
271.18777	47.0
280.93701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	100.0
56.96835	8.1
57.03430	6.3
69.03411	10.3
70.06571	10.3
70.44151	12.5
70.44475	6.2
81.03415	5.9
84.96017	20.8
85.02904	14.4
97.02859	7.5
98.03539	8.2
98.97561	47.4
101.00867	5.9
110.97568	8.1
114.89315	5.6
116.98600	26.2
119.01897	18.4
123.04405	14.0
127.03905	6.2
134.99632	14.6
143.01883	10.3
144.99791	13.8
159.01408	5.4
159.03217	9.3
161.02957	12.8
161.04727	7.3
172.99315	17.5
173.02917	11.9
177.04211	10.0
187.00862	7.2
190.95276	7.1
193.04993	7.5
205.01933	21.7
205.03725	7.8
221.04599	8.6
223.02910	14.2
223.04855	6.6
230.98019	14.5
248.99127	80.0
258.99637	7.7
263.06165	6.8
267.00125	49.1
269.28223	6.6
273.03296	9.1
273.18143	6.6
273.23343	8.8
277.00793	11.7
290.96869	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	273.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	13.8
56.96833	1.2
60.05642	0.7
64.25162	0.8
68.88326	0.7
70.06580	6.9
71.41114	0.7
72.08138	3.1
74.97608	0.8
81.03380	1.0
83.97626	1.8
86.09716	1.1
97.07677	0.8
98.09740	0.9
98.97572	18.9
105.76932	0.8
114.10271	3.7
116.07045	1.0
116.98605	16.4
119.01926	1.8
123.04396	1.5
126.03995	0.9
126.12788	13.2
134.99649	7.9
137.02936	0.7
139.01842	0.9
141.03355	3.5
142.01724	1.7
143.04906	5.9
144.05013	1.6
145.06413	1.3
150.03343	1.1
154.01791	0.9
159.04439	3.0
160.02794	0.8
161.05954	1.6
166.02879	7.0
168.04459	3.8
169.02866	3.4
169.07526	0.7
170.05997	15.3
171.04396	12.1
172.02855	1.0
174.97639	1.2
175.11856	0.9
177.00938	1.2
184.03920	3.0
185.17551	4.6
186.05547	1.2
187.04001	2.0
187.08664	4.4
188.07021	10.1
189.05458	11.1
190.03844	2.6
193.11848	1.5
202.58224	0.7
207.06483	5.6
208.04865	1.1
213.06816	11.5
214.05093	4.7
219.00146	0.9
219.01981	0.8
220.96571	0.8
229.16655	1.7
231.07681	44.0
232.06056	6.1
247.06793	0.8
248.93819	0.8
249.08679	14.6
254.09186	1.7
255.07561	5.7
255.11769	1.9
267.52264	0.9
272.93823	1.3
273.09424	100.0
273.12732	6.1
274.09827	2.6
290.94684	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	273.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01884	7.3
55.05505	14.5
57.03442	9.8
57.07071	4.3
59.04992	14.9
61.02920	7.1
66.49902	1.2
67.05504	15.0
69.03423	32.1
69.07063	100.0
70.07401	1.2
70.11388	2.5
71.01342	4.8
71.04990	10.3
73.02909	11.2
79.05484	7.1
81.03414	15.1
81.07053	20.5
83.04975	12.6
83.08600	5.0
84.04517	1.2
85.02897	38.6
85.06536	19.1
87.04461	2.8
91.03949	1.7
91.05461	9.2
93.07037	17.8
95.04989	8.4
95.08602	15.0
97.02884	20.1
97.06503	6.0
97.10179	3.4
98.97557	1.9
99.04453	6.4
99.08066	6.5
101.02392	1.8
101.06056	2.4
101.35307	1.4
103.03918	5.9
105.07034	14.0
107.04980	2.2
107.08587	19.5
109.02892	5.3
109.06512	5.5
109.10158	17.5
111.04460	11.4
111.08080	6.7
111.11710	23.1
113.09619	2.1
115.03915	7.7
115.05406	1.3
117.07000	3.9
119.08576	9.4
119.22789	1.2
121.06526	6.8
121.10122	10.2
123.04352	2.3
123.08055	5.6
123.11704	12.4
125.05992	2.6
125.09652	2.3
127.03895	9.1
127.11189	12.9
129.05467	28.5
129.12769	9.7
130.05025	1.3
131.08591	6.6
133.04955	3.3
133.10129	8.0
135.04478	1.4
135.08058	4.8
135.11656	8.5
137.05992	2.9
137.09602	8.4
137.13222	3.0
139.03836	1.6
139.07532	5.8
139.11133	6.3
141.09081	5.0
141.12735	21.4
143.08556	3.3
144.09285	1.6
145.04999	4.2
145.06548	2.0
145.10123	6.0
147.04489	1.3
147.07991	1.9
147.11720	6.2
149.06000	4.4
149.09634	4.1
149.13289	2.7
151.07562	3.7
151.11194	4.4
153.01807	4.6
153.05449	1.6
153.07011	3.1
153.09082	2.3
153.12732	5.6
157.10098	1.9
159.11702	6.1
161.09569	4.6
163.11185	4.0
165.09030	1.6
165.12711	5.9
167.14314	2.6
173.13211	3.0
175.11154	2.0
177.09166	1.9
177.12679	8.9
179.10672	3.6
181.06471	3.7
183.11746	1.7
183.13829	3.1
191.14276	2.2
195.08061	1.8
195.09991	1.4
195.13750	7.7
197.11736	2.1
201.12703	3.8
207.13800	3.0
213.09087	3.8
213.14914	2.8
219.13782	7.7
225.14780	3.0
230.32744	1.5
237.14847	12.7
241.08623	2.1
255.15892	16.4
273.03906	2.1
273.12210	5.0
273.16800	6.5
290.94827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19321	3.5
52.51446	3.5
53.07830	3.5
53.22192	3.8
55.01871	5.7
55.05504	18.8
57.03436	12.0
67.05500	51.5
69.03432	9.6
69.07060	26.9
69.42326	3.7
69.42663	20.6
69.42966	4.0
71.04988	43.2
79.05479	35.8
80.60924	4.1
81.07056	38.7
83.04980	11.3
83.08630	4.2
85.02897	50.2
85.06538	9.6
87.04450	8.5
91.05479	21.0
93.07034	63.4
95.04977	9.2
95.08595	100.0
97.06546	15.5
98.23443	7.4
99.04453	37.6
99.08060	5.7
101.01443	4.2
103.03994	4.3
103.49132	3.7
105.07031	15.0
107.04986	5.9
107.08620	20.7
109.10137	19.1
111.11762	4.1
113.39086	3.6
115.03953	6.4
117.07021	16.0
119.08562	14.8
121.06496	14.9
121.10130	46.6
125.06042	5.9
129.05452	5.6
129.07053	3.9
131.08565	13.9
131.47186	4.0
133.10126	6.0
135.11687	14.8
137.06020	8.7
137.09563	5.2
139.07532	3.8
139.11188	30.8
145.10083	8.5
153.12695	5.2
155.08582	6.1
157.10152	5.5
157.12257	15.0
159.11696	30.3
170.92110	4.3
173.13280	7.6
181.06468	5.0
183.11751	8.5
191.14270	8.6
201.12816	9.5
219.13815	17.2
237.14850	11.6
255.16187	5.5
273.18079	9.4
286.94498	4.2
288.93613	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	273.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48473	4.1
55.01865	7.5
55.05507	24.9
55.75388	4.3
57.03430	13.2
57.07064	4.4
59.04985	14.8
64.66870	4.3
67.05505	44.4
69.03417	18.6
69.07071	33.3
71.04990	44.9
78.51551	4.8
79.05484	48.1
81.03397	10.6
81.07053	44.5
83.04976	8.3
83.08614	8.0
85.02901	40.0
85.06526	9.2
87.04452	9.6
91.05450	21.3
93.07047	61.1
95.04945	9.1
95.08598	100.0
96.59884	4.2
97.02888	5.1
97.06506	19.1
99.04461	34.0
99.08096	6.8
99.71143	3.9
101.02363	4.9
101.06020	4.4
105.07036	16.8
107.04929	7.5
107.08590	20.2
109.06512	6.8
109.10143	15.8
111.04443	8.6
111.08022	9.5
113.63564	4.9
115.03922	6.7
117.06989	12.1
119.08584	13.6
121.06491	12.2
121.10136	49.2
125.05994	7.1
127.03898	5.6
129.05446	15.6
129.06985	4.9
131.08551	16.2
133.10016	5.0
135.08003	6.4
135.11674	12.7
137.05891	6.8
137.09590	5.0
139.11176	35.8
145.10162	5.9
149.05975	9.9
151.07516	6.0
153.05612	4.4
153.06990	6.5
157.10098	7.6
157.12228	14.7
159.11684	27.7
173.13223	10.0
181.06458	9.9
183.11659	9.5
201.12782	10.3
213.09096	4.6
219.13667	20.8
235.71396	4.9
237.14786	8.5
255.16075	4.2
267.22183	5.2
273.11560	7.0
273.15088	7.1
273.18109	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	274.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56346	2.3
60.10708	2.7
68.54956	2.3
69.98126	2.2
70.96982	3.5
85.50555	2.4
91.44762	2.2
98.97563	6.6
103.05454	10.0
107.04926	3.8
123.04417	100.0
131.04924	22.3
133.17128	2.3
139.50795	2.6
147.04353	7.6
149.05991	15.2
151.03899	2.5
159.04384	13.6
162.38249	2.8
165.05455	3.4
175.03868	11.8
177.05461	42.3
193.04959	47.8
194.05531	3.2
203.03392	19.8
211.05949	24.7
220.93442	3.0
221.04414	47.3
239.05486	31.8
274.97586	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	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
52.13975	0.3
55.05505	0.3
57.07067	7.3
58.06581	0.4
62.06074	0.5
63.43127	0.3
68.05015	0.3
68.06343	0.3
69.79852	0.7
70.06585	12.6
71.08624	3.0
73.31121	0.3
83.33698	0.3
85.10155	0.9
85.10658	0.4
88.07623	15.6
92.44072	0.3
102.09168	5.2
106.08650	9.1
154.73836	0.3
163.21976	0.3
175.50081	0.3
212.23663	0.6
230.24733	1.0
256.26309	6.2
274.27362	100.0
275.27686	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	274.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99509	0.4
54.98625	0.4
56.96286	0.7
56.96560	11.8
61.11271	0.4
66.13680	0.4
69.43954	1.5
70.95884	0.7
71.95244	0.7
86.06276	0.4
98.97572	100.0
115.72555	0.4
116.98609	45.4
122.20928	0.4
130.93239	1.2
134.99646	11.3
153.00647	1.0
172.94341	4.9
174.97664	0.5
190.95381	3.8
203.02615	0.4
208.96178	1.9
214.95410	1.8
232.96385	5.6
250.97401	3.2
256.96396	11.8
274.97452	72.1
275.97723	1.2
292.98517	39.7
293.98676	0.6
297.99149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	11.9
61.30870	0.4
61.94188	0.5
67.07332	0.4
67.30733	0.4
69.45428	0.6
69.45801	0.7
71.95240	0.7
78.22054	0.4
98.97570	100.0
99.97927	0.4
113.07114	1.3
116.98608	45.3
122.89250	0.4
130.93289	1.2
134.99632	10.5
147.91243	0.5
148.38156	0.5
172.94327	5.6
174.99022	0.5
190.95412	3.3
194.30890	0.4
197.95064	0.6
203.07745	0.4
208.96407	1.0
214.22279	0.5
214.95369	2.4
215.13783	0.4
230.98416	0.7
232.96422	5.3
233.01414	0.8
250.97502	1.8
251.02486	1.2
256.96420	11.3
274.97473	64.8
275.10965	1.3
275.97852	1.0
292.98523	37.3
293.03555	1.0
293.98892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	12.1
70.25150	1.3
71.95229	1.0
77.89004	0.5
97.02889	0.6
98.97569	100.0
99.97907	0.7
101.89922	0.5
116.98606	43.8
130.93315	1.4
134.99637	11.3
140.00220	0.6
172.94345	4.2
189.04332	0.8
190.95369	2.6
200.83525	0.5
208.96423	0.9
214.95309	2.6
232.96432	5.4
250.97519	2.1
256.96384	10.5
274.97452	67.4
275.10971	12.2
275.97662	0.7
292.98502	32.3
297.98898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82240	0.8
56.82503	1.0
56.96563	18.1
69.76402	0.9
70.06593	2.5
70.11223	2.2
70.95869	4.1
72.08150	1.6
82.99795	0.8
84.04487	1.6
84.08175	1.0
95.06085	0.9
97.02891	1.0
98.97573	100.0
101.00858	4.4
113.07104	1.3
116.98608	74.9
119.01917	16.9
119.08602	1.0
123.04417	2.3
130.15608	0.9
130.93243	1.1
134.99646	44.4
137.02979	5.1
140.00218	1.3
141.06946	2.1
145.03481	5.9
149.05972	3.1
153.00684	5.5
153.01814	4.6
158.01292	1.0
159.05045	5.4
162.88068	1.0
163.04532	1.5
169.03441	1.9
169.06438	3.3
172.94301	3.5
175.07523	1.2
177.05536	3.9
185.02888	1.1
187.04546	5.0
187.07507	1.5
189.02449	2.0
190.95273	6.7
194.05325	1.2
197.06015	2.4
201.09108	2.0
207.03387	1.1
208.95998	4.7
213.02382	1.1
214.95360	2.0
215.06972	1.2
217.08661	1.1
229.08586	3.1
231.03494	1.2
232.96312	11.4
245.08014	1.1
250.97279	7.6
256.96432	11.8
257.07962	2.3
274.97427	95.0
275.06015	1.9
275.11023	57.1
292.95181	1.8
292.98477	44.8
297.98962	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63588	0.5
54.75093	0.5
55.93646	0.5
56.96557	5.7
98.97572	37.5
113.07093	0.5
116.97770	1.0
116.98605	18.4
124.45644	0.5
130.93213	0.6
134.99652	5.4
137.50075	0.4
150.06229	0.5
172.94362	1.0
184.36658	0.5
189.04318	1.9
190.95421	1.8
204.95158	0.5
207.05402	0.6
214.95322	0.7
215.01848	0.6
232.96439	2.0
233.03275	1.1
250.97467	1.2
256.96445	4.0
257.02652	3.7
274.97461	28.6
275.04156	3.9
275.10971	100.0
275.97653	0.6
276.08438	0.5
276.11319	2.6
292.98523	14.5
293.98932	0.9
297.99100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	11.4
69.40559	3.8
77.38689	0.7
83.04964	0.8
90.47465	0.8
98.97569	75.3
113.64908	0.7
116.98602	42.2
134.99634	11.7
141.06929	1.2
153.00610	1.0
162.48096	0.8
169.06425	1.1
172.94336	3.1
175.07661	0.9
177.05495	1.3
189.04318	2.3
190.95360	2.9
201.09154	1.0
207.05385	1.0
214.95259	1.3
215.02008	0.9
222.39612	0.7
229.08607	0.9
232.96458	5.2
233.03336	1.8
250.97447	1.6
256.96420	8.2
257.02692	4.2
274.97464	54.5
275.04129	4.4
275.10977	100.0
275.97769	1.3
276.11328	2.2
292.98523	30.4
293.98947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	2.5
59.04996	100.0
60.96258	0.8
69.03422	5.8
70.14247	2.7
81.07037	3.6
83.06100	5.7
84.04496	51.2
85.02874	1.2
86.06042	1.5
87.04469	1.4
91.33271	0.9
98.97591	1.6
101.06013	20.1
101.07090	6.7
102.05546	0.9
114.05512	24.8
115.03946	5.4
116.07074	1.1
124.07566	4.2
129.05467	79.8
129.06570	17.7
130.04985	16.1
130.05855	2.3
132.06549	28.3
133.06970	0.9
144.06551	18.1
144.72501	1.1
146.08107	8.3
147.07626	12.0
152.07050	51.7
153.07384	1.4
161.09183	1.2
180.06531	19.8
197.09099	2.3
198.07553	8.4
212.09140	5.3
215.10283	3.8
225.08722	7.6
226.07053	8.2
230.10176	2.6
231.52924	1.1
240.08658	4.2
243.09741	13.5
257.11273	2.5
258.09564	1.2
274.97449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	1.1
55.01862	2.6
56.05033	1.2
69.07057	1.1
69.61044	3.2
71.08264	1.6
71.08627	17.9
72.04515	3.7
74.02441	6.4
81.07026	1.0
82.02940	23.7
84.04503	3.2
85.02894	1.6
86.09698	5.0
88.11264	51.6
91.05467	1.1
93.07011	1.6
95.05001	1.1
95.08595	1.6
96.04488	13.4
97.02895	0.9
99.05573	3.3
100.03963	15.9
101.02420	0.9
107.08553	1.1
115.90154	0.8
118.04987	3.9
121.10221	0.9
124.03937	2.4
124.11191	0.8
128.03409	8.0
129.06943	1.0
137.05920	1.2
141.06966	1.9
141.13863	4.8
142.12270	4.3
146.04474	20.1
149.05974	1.0
151.07530	1.3
151.12395	0.9
152.10704	12.2
169.06485	1.2
169.13350	100.0
170.11749	54.9
171.12003	1.7
173.05984	1.5
175.07500	0.9
187.14400	8.0
188.05470	2.6
197.05937	0.9
198.11247	19.0
201.09128	2.0
203.07002	0.9
211.07614	1.1
211.14406	12.8
215.07030	2.0
215.13895	70.0
216.12259	9.3
216.14134	1.3
229.08656	2.3
229.13358	1.4
229.15471	5.5
233.14923	6.6
239.13747	0.9
257.14954	31.8
258.13199	0.8
275.09174	2.8
275.13293	2.5
275.16116	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	275.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.5
55.05503	31.8
55.95745	5.2
57.03432	11.3
57.07055	6.3
67.05495	65.6
69.07056	43.1
71.04985	34.3
71.15871	4.2
79.05488	33.2
81.07048	100.0
83.04984	12.0
83.08616	15.6
85.02899	52.8
85.06545	8.6
87.04467	8.4
90.13737	4.5
91.05470	35.8
93.07033	37.5
95.04961	17.0
95.08595	38.4
97.06512	12.4
99.04449	26.1
101.02341	5.7
103.03904	6.7
105.07024	48.2
107.04930	8.1
107.08565	23.6
109.06513	10.3
109.10124	12.2
111.04452	4.8
111.11719	4.4
114.48792	4.4
115.03892	9.0
117.07003	7.1
119.08567	46.4
121.06516	7.5
121.10114	24.3
122.07275	6.0
123.04443	8.1
123.08089	8.8
123.11712	37.0
125.06033	4.1
125.09612	4.8
131.08603	8.8
133.06448	6.7
133.10109	25.5
135.08023	9.8
135.11716	5.6
137.09604	17.4
137.13258	9.3
139.11186	8.0
141.12740	6.9
145.10132	7.5
147.08058	12.6
147.11661	12.6
149.09596	8.4
151.07571	5.3
159.11653	12.9
161.09683	5.2
161.13274	37.2
163.11157	7.9
165.09065	7.6
173.13150	6.2
175.14824	15.7
175.40703	4.3
179.14365	4.6
184.84676	4.9
185.13258	6.7
187.11142	5.7
193.15897	15.2
194.52733	4.2
203.14276	13.5
221.15376	15.7
239.16376	6.3
275.16388	8.6
275.20059	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03926	1.7
55.01867	9.4
55.05504	17.3
65.03923	1.8
67.05167	1.4
67.05502	20.4
69.07063	11.0
69.08917	5.0
71.04990	1.9
77.03899	1.3
79.05046	1.3
79.05482	20.5
81.03385	1.6
81.07049	39.0
83.04961	3.5
83.08613	4.7
85.06555	0.9
91.05470	55.4
92.05821	1.0
93.07034	20.8
95.01337	1.0
95.04967	5.1
95.08597	15.1
97.06512	10.9
97.10159	2.7
103.05449	2.3
105.07019	100.0
106.07346	1.5
107.04940	4.1
107.08586	11.1
109.06510	2.1
109.10178	4.4
111.08028	1.4
115.05442	1.6
117.07021	10.4
119.08566	41.2
121.06442	1.6
121.10153	4.0
123.04381	0.9
123.08051	1.1
123.11739	0.9
125.09610	1.5
128.06287	0.9
129.06990	2.1
131.08542	17.5
132.09239	0.9
133.10115	57.9
135.08035	2.5
135.11653	4.2
137.09621	1.1
141.07007	0.8
143.08505	3.1
145.10110	14.6
147.08069	1.3
147.11671	21.5
149.09599	2.8
149.13260	1.1
151.11115	1.0
155.08475	1.6
157.10095	3.3
159.11668	6.8
161.13223	3.5
163.11102	2.1
165.09111	2.1
171.11642	2.7
173.13275	2.8
175.11113	1.0
177.12724	2.0
179.14264	1.4
183.11681	1.9
197.13271	1.1
219.13792	1.4
229.19557	1.2
239.17947	2.3
247.16983	1.3
247.20547	2.0
257.18997	7.9
275.20029	89.7
276.20367	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	Dicranin
Peak:m/z	Relative Intensity
53.03928	2.0
55.01871	3.7
55.05256	1.1
55.05509	16.0
57.03426	2.3
57.07066	2.2
59.56480	0.7
65.03916	1.2
65.37384	0.7
67.05499	26.1
69.03409	1.1
69.07064	12.5
69.61134	3.4
71.04974	3.3
77.03899	1.0
79.05483	24.8
81.03411	1.1
81.07049	29.2
83.04973	3.8
83.08603	5.1
85.06542	1.5
91.05475	43.5
93.07037	25.2
95.04952	5.1
95.08595	19.1
97.06525	4.5
97.10129	1.8
99.08054	1.2
103.05462	2.2
105.07024	57.3
106.07268	0.9
107.04960	7.7
107.08582	16.7
109.06525	5.2
109.10139	8.1
109.68064	0.9
111.08082	2.1
115.05427	1.8
115.56959	0.9
117.07004	12.0
119.08575	43.7
121.06511	5.5
121.10136	10.8
123.08073	5.5
123.11697	1.2
125.09598	1.2
129.06993	3.2
131.08565	16.4
131.13930	0.8
133.06468	1.4
133.10123	38.0
135.08052	8.8
135.11716	6.1
135.47765	0.7
137.09615	4.5
139.11195	0.9
141.06909	0.9
143.08566	3.2
145.08984	1.1
145.10110	13.1
147.07982	1.9
147.11671	21.9
149.09605	9.6
149.13287	2.0
151.11183	2.4
155.08548	2.5
157.10107	2.7
159.08047	0.9
159.11678	9.8
161.09520	1.9
161.13220	6.2
163.11203	4.5
169.10129	1.9
170.59947	0.8
171.11653	3.0
173.13199	5.6
175.11188	2.0
175.14806	1.4
177.12735	2.6
183.11682	2.3
185.13261	1.5
187.11188	1.6
187.14818	1.5
189.12767	1.9
191.14230	1.4
197.13223	1.2
197.67812	0.8
201.12730	1.6
201.16237	0.7
203.14252	1.8
211.14787	1.4
215.17854	1.2
219.13846	1.1
229.19508	2.5
231.17398	0.8
233.15250	1.3
239.17813	4.2
247.20596	5.1
257.18991	9.8
274.27374	1.0
275.20038	100.0
276.20300	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02354	0.6
53.03940	2.2
54.09940	0.6
55.01615	1.1
55.01866	14.3
55.05505	19.7
57.03429	3.1
57.07055	0.8
59.19993	0.6
62.57740	0.6
65.03927	1.7
67.05498	25.2
69.03416	0.6
69.06708	1.2
69.07064	16.7
70.06600	0.6
71.04974	2.1
73.06564	1.1
77.03915	1.1
79.05482	33.0
80.55283	0.6
81.03405	2.4
81.07048	49.0
83.04990	4.0
83.08616	6.4
85.06526	1.4
91.05472	63.4
93.07036	25.8
95.01309	1.5
95.04964	6.4
95.08601	18.5
95.09212	1.0
97.06522	19.7
97.10134	2.9
99.08096	1.0
103.05447	2.6
105.04515	1.7
105.07018	100.0
106.07332	1.0
107.04951	6.4
107.08586	15.0
109.06524	7.0
109.10152	6.6
111.08064	1.2
113.05973	0.7
115.05424	1.4
117.07008	14.2
119.04929	0.7
119.08571	47.4
121.06524	3.0
121.10117	7.4
123.08039	2.4
123.11714	1.6
125.09620	1.6
129.06990	3.0
129.28494	0.6
130.07784	0.7
131.08557	19.8
132.09338	0.8
133.10114	55.1
134.10449	0.7
135.08031	3.1
135.11662	4.0
137.09612	1.8
139.07597	0.9
141.06918	0.9
143.08510	3.1
144.09335	0.6
144.18405	0.7
145.10106	15.9
146.10881	1.0
147.08031	1.5
147.11673	23.2
149.09605	5.4
149.13242	2.0
151.07600	0.8
151.11134	2.0
155.08606	1.2
157.10075	3.0
159.11679	10.6
161.09576	0.8
161.13251	3.8
163.11134	3.3
163.14807	0.6
165.09137	1.9
165.12717	0.9
167.02997	0.6
169.10081	0.7
171.11662	4.1
173.13211	3.9
175.14758	1.0
177.12727	1.0
179.14314	2.5
183.11664	2.4
185.13228	2.3
187.14772	1.2
189.12779	0.8
193.12318	0.9
197.13217	1.7
201.12711	0.7
203.14276	1.6
207.27556	0.7
215.14314	1.1
215.17905	1.3
219.13892	0.8
219.17409	8.2
229.19466	1.3
233.15341	0.8
239.17957	2.3
247.16832	1.1
247.20525	4.0
257.18958	7.7
275.20038	95.5
275.27875	2.2
276.20334	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.30830	1.4
53.03942	3.0
55.01855	4.3
55.05508	19.9
58.17373	1.3
60.16484	1.3
65.03909	1.4
67.05495	29.1
69.07063	14.0
69.69473	4.4
71.04982	2.8
73.29234	1.3
77.03911	1.9
79.05486	30.2
81.07050	28.8
83.04951	2.0
83.08608	5.5
85.06528	1.5
91.05478	46.4
91.06059	2.3
93.07040	24.5
95.04972	7.5
95.08596	19.8
95.54803	1.5
97.06517	5.1
97.10172	2.5
98.23411	1.9
104.06247	1.5
105.04518	1.7
105.07019	66.1
107.04989	6.8
107.08587	21.3
109.06483	5.3
109.10137	5.8
111.08070	2.0
115.05460	1.5
117.07001	13.0
119.07746	2.8
119.08569	44.6
121.06479	5.2
121.10123	9.8
123.08057	2.0
123.11667	2.5
125.09605	1.5
129.07019	3.9
131.08562	19.7
133.06494	1.9
133.10118	41.3
135.08063	4.6
135.11664	4.7
137.09592	4.0
141.06897	1.8
143.08565	2.2
145.10100	15.6
147.11664	20.1
149.09616	6.9
149.13316	1.7
151.11179	4.7
155.08548	2.1
157.10129	3.2
159.11691	9.3
161.09547	2.2
161.13225	6.2
163.11121	5.8
165.12726	1.7
168.79694	1.3
169.10031	1.8
171.11647	2.0
173.13255	5.4
175.11186	2.6
177.12643	1.4
183.11679	2.8
185.13266	1.6
187.11249	1.8
193.12407	1.6
197.13268	2.0
229.19481	4.3
233.19095	1.9
235.16542	1.4
239.17909	6.1
247.20561	2.9
257.18915	9.5
261.39917	1.3
275.20035	100.0
276.20139	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.00793	0.5
51.02411	0.4
52.87420	0.6
53.03943	0.8
55.01865	3.9
55.05510	14.4
57.03424	0.8
62.61587	0.5
63.73339	0.5
65.03927	1.8
67.05158	1.1
67.05500	19.1
69.03431	0.8
69.07065	12.3
70.69324	0.7
71.04982	2.3
77.03915	1.0
79.05042	1.2
79.05489	20.6
81.03418	0.8
81.07052	21.6
83.04979	2.5
83.08609	6.2
85.02961	0.6
85.06505	0.8
91.05474	48.5
93.07042	20.2
93.33163	0.6
95.04973	4.8
95.08597	13.1
97.06516	3.2
97.10162	2.2
99.08053	0.6
103.05475	2.2
104.06220	0.6
105.07024	68.1
106.07355	0.9
107.04942	3.5
107.08584	16.8
109.06526	3.4
109.10146	5.9
111.08087	1.1
115.05486	1.0
117.07005	11.6
118.07829	0.7
119.08576	36.9
120.08941	0.7
121.06525	3.2
121.10130	7.5
123.08090	2.1
123.11694	1.3
125.09604	1.7
129.06998	2.5
130.07797	1.3
131.08563	15.1
132.09337	1.1
133.06491	1.3
133.10120	34.5
134.10474	0.8
135.08049	4.3
135.11708	4.0
137.09604	1.7
141.07033	1.3
143.08572	3.1
144.09335	0.6
145.10115	14.2
146.10661	0.7
147.08047	1.6
147.11673	27.2
149.09612	7.4
149.13248	1.2
151.11186	1.7
155.08511	1.2
157.10159	3.1
159.11678	9.0
161.09660	2.1
161.13255	7.3
163.11191	3.7
165.09114	0.8
169.10138	1.2
171.11676	3.1
173.09604	0.7
173.13211	6.0
175.11186	2.2
175.14813	1.0
177.12766	1.6
183.11699	2.2
185.13260	0.7
187.11133	1.2
187.14798	1.4
189.12746	0.8
197.13326	2.4
199.14790	0.9
201.12723	1.5
201.22469	0.6
205.12196	0.5
211.14792	0.6
215.14362	0.8
215.17982	1.2
217.16037	0.5
219.13783	1.1
229.19560	2.0
233.15195	1.0
233.19011	1.1
239.18010	2.7
247.20557	2.3
257.18948	8.6
261.30603	0.6
275.20047	100.0
276.20331	4.3
295.83368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	9.9
57.05791	1.1
63.10871	1.1
70.06784	3.9
70.95850	1.5
80.30622	1.3
80.60498	1.1
88.23764	1.1
90.22510	1.1
93.94818	1.1
98.97572	100.0
116.98608	58.1
119.01894	3.3
121.31790	1.4
134.99641	18.3
153.00722	3.6
161.02945	2.1
163.03883	4.9
175.04520	1.2
179.00653	1.7
192.94859	3.6
205.02228	3.5
210.95895	5.5
219.02029	3.5
223.01598	1.5
234.95860	5.2
240.98627	4.6
252.96904	7.6
258.99731	67.1
260.00012	2.7
267.95825	1.7
276.97028	13.7
277.00772	92.4
277.04340	4.8
278.00876	3.8
294.98044	9.4
295.05713	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
56.96552	3.0
58.06586	2.9
66.24269	1.9
67.57005	1.7
69.03429	5.7
69.88302	6.3
74.71754	1.8
81.03411	3.8
84.04513	1.9
97.02888	3.4
98.23240	4.7
98.97576	5.7
99.04422	2.0
100.07556	2.1
101.00873	5.1
110.97650	2.2
114.05553	4.9
115.03889	3.2
116.98663	2.5
119.01936	12.7
121.01643	3.0
131.01897	3.8
137.02986	2.5
142.01672	3.9
143.01923	8.4
144.88757	2.0
145.03491	3.7
147.04387	2.7
154.08614	3.5
155.01974	2.2
155.11835	2.2
157.03453	2.6
161.02946	17.1
161.04175	2.4
161.04788	2.4
173.02979	3.7
175.03764	2.3
176.80812	2.8
187.03940	6.0
189.00729	2.7
201.08771	4.3
203.03423	8.5
213.01801	5.7
215.03381	3.6
219.36874	2.0
231.02898	32.1
241.01370	6.2
245.05141	6.3
245.14957	9.1
258.99759	1.8
259.02365	32.7
259.16522	3.1
277.03403	100.0
277.07556	13.2
277.17661	4.1
278.03650	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	277.0341
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
56.96577	0.3
57.40883	0.2
68.53243	0.2
69.07805	1.8
70.06619	0.2
72.08170	0.2
77.62610	0.2
81.03421	2.1
84.08090	0.2
85.02874	0.3
91.05479	1.5
95.04917	0.4
98.97572	0.7
101.03929	0.5
103.05450	2.5
112.75777	0.3
119.04923	1.4
120.08086	0.4
121.06498	0.3
129.03319	1.3
131.04918	1.9
134.99681	0.4
141.03313	0.3
147.04414	3.4
149.02328	0.6
157.02835	4.0
159.04417	0.6
169.02913	0.3
175.03889	4.1
175.07623	0.3
179.07130	0.3
180.89154	0.3
185.02345	4.2
187.03894	8.7
188.06990	0.3
197.02333	0.3
203.03372	6.9
206.09871	0.3
213.01819	7.9
215.03360	7.2
224.76550	0.2
230.02074	0.3
231.02872	31.3
232.03235	0.9
241.01274	5.3
259.02368	45.0
260.02713	1.6
277.03406	100.0
278.03812	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1044
Annotation	Triphenylsilanol
Peak:m/z	Relative Intensity
50.97789	0.9
52.87046	0.9
53.03939	0.8
57.03429	3.7
60.33205	0.8
69.03419	44.6
71.01340	0.8
71.42010	1.1
73.02927	3.1
81.03413	7.5
81.07056	1.2
83.30127	0.8
85.02900	7.5
93.07061	1.4
97.02873	8.3
98.97644	1.0
99.04435	8.2
103.05460	1.0
115.03905	4.7
117.05509	2.7
127.03892	1.6
133.04973	4.1
149.02321	1.9
161.04433	1.8
177.05428	0.9
187.03909	1.4
202.06000	5.2
213.01817	1.6
215.03336	1.2
231.02953	4.0
259.02383	3.4
259.08331	1.1
259.11102	1.5
277.03677	12.0
277.10501	100.0
278.10782	3.5
293.80624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.46984	0.8
55.01862	9.9
55.05510	5.2
57.07075	5.8
58.07390	2.9
67.05492	7.4
69.07047	3.5
70.06587	9.3
71.06912	5.9
71.08608	2.4
72.08929	1.5
79.05484	9.2
81.07046	36.9
81.54916	0.8
82.07410	1.0
83.04972	1.8
83.08590	1.2
88.07620	7.2
89.07955	5.2
90.08062	1.4
91.05467	3.3
93.07030	5.3
95.04952	1.9
95.08611	5.7
97.06537	1.0
98.97589	1.0
102.09175	2.1
103.09496	1.4
104.09765	0.9
105.07017	3.4
106.08636	3.1
107.08582	3.7
108.09100	2.6
109.06513	12.2
109.10158	2.5
111.04433	10.8
119.08560	3.6
121.10147	3.4
123.08080	1.0
123.11681	1.1
125.05972	3.3
131.08540	2.1
133.10095	4.0
135.08022	1.9
135.11662	4.2
137.05962	100.0
137.13188	1.4
138.06354	1.5
139.07509	0.8
145.10072	1.1
147.10675	0.8
147.11674	4.6
149.02299	1.9
149.09570	2.8
149.13261	1.7
151.07512	3.2
156.09319	1.0
157.10152	1.7
159.11734	1.0
161.08421	0.8
161.09570	4.7
161.13219	1.2
163.11235	1.7
163.14862	0.9
165.09109	2.3
165.12732	1.0
175.11142	3.7
175.14778	1.2
177.12759	1.0
179.10594	2.1
181.12149	1.2
189.12650	0.8
193.12216	0.9
203.17903	4.7
213.16304	3.0
221.18921	1.6
231.17418	7.1
249.18515	3.0
258.26968	3.0
259.27142	1.5
270.24033	1.1
276.28018	43.4
277.08530	1.0
277.17923	5.4
277.21445	2.9
277.28262	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	277.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.1
55.05502	7.0
57.07074	3.7
61.95257	1.3
67.05492	9.0
69.03443	1.9
69.07059	5.9
69.12894	6.0
69.13311	4.3
71.08617	3.1
79.05486	13.3
81.07053	47.0
83.04974	1.7
83.08587	1.8
91.05460	4.9
93.07045	13.9
95.04951	2.6
95.08595	8.8
97.06514	1.9
98.22910	7.1
98.80017	1.5
105.07024	6.1
107.08612	7.3
109.06498	13.8
109.10148	3.5
111.04449	11.3
119.08593	4.4
121.10153	5.7
123.11757	1.4
125.05993	3.6
129.06934	1.6
131.08516	2.6
133.10117	5.3
135.11707	8.1
137.05962	100.0
145.10112	3.5
147.08002	1.6
147.11693	5.9
149.09616	4.5
149.13260	2.6
157.10155	2.6
161.09628	5.3
161.13245	3.3
163.11160	3.8
164.91998	2.3
165.09058	2.4
165.12828	2.4
175.11162	5.8
190.89017	1.5
199.40530	1.4
203.17926	3.5
203.31966	1.5
213.16394	2.6
222.91100	2.7
226.73045	1.4
231.17403	4.7
235.13347	2.5
249.18517	2.5
277.14676	1.4
277.17960	5.9
277.21613	9.8
278.17728	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1798
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
52.29175	0.3
52.35867	0.4
53.03929	0.5
55.01862	10.6
55.05501	4.2
57.03421	0.4
57.07058	1.4
65.03930	0.7
67.05498	5.5
69.03408	0.8
69.07061	4.5
69.84212	0.3
71.08623	0.7
71.42841	0.4
79.05487	8.4
81.07045	37.7
82.07390	0.4
83.04963	2.1
83.08618	1.7
85.06545	0.7
91.05466	3.3
93.07026	5.1
94.25288	0.3
95.04971	0.8
95.08597	5.9
97.06520	1.0
99.08118	0.5
105.07008	3.5
107.08572	4.0
109.06506	13.1
109.10149	2.7
111.04427	12.5
111.08051	1.0
112.18651	0.4
113.05932	0.3
117.06984	0.8
119.08561	4.3
121.06479	0.4
121.10115	3.8
123.08030	1.5
123.11709	1.2
125.05968	4.2
131.08556	1.7
133.06453	0.4
133.10118	3.8
135.08020	1.8
135.11699	3.2
137.05956	100.0
137.13235	1.1
138.06308	1.2
139.07471	0.4
142.07753	0.5
143.08539	1.3
145.10107	1.3
147.08051	1.1
147.11690	4.5
149.02327	0.7
149.09613	2.5
149.13251	1.2
151.07558	2.8
151.11165	0.8
157.10109	1.3
159.11722	0.6
160.08766	0.5
161.09587	4.5
161.13232	1.9
163.11119	2.5
163.14790	0.5
165.09134	1.9
167.10678	1.1
171.11621	0.8
173.13258	0.4
175.11143	4.4
175.14818	0.8
177.12701	0.8
179.10634	1.2
181.12239	0.4
189.12729	1.1
193.12262	1.1
203.17973	3.9
203.19876	0.5
213.16356	2.1
217.12190	0.6
221.18967	1.4
223.14793	0.5
231.17424	6.5
235.13240	0.6
241.15852	1.5
249.18507	3.1
277.17966	5.2
277.21533	1.0
295.19043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.48166	0.7
53.03944	2.6
55.01664	0.9
55.01871	12.1
55.05260	1.9
55.05508	25.8
56.14725	0.8
57.03429	2.4
57.07077	5.1
65.03924	2.5
67.05499	44.5
69.03428	1.1
69.06710	1.2
69.07063	17.3
70.74544	1.0
71.04982	3.4
71.08622	19.1
77.03879	2.0
79.05486	59.3
81.03409	5.4
81.07050	47.7
82.07345	1.2
83.04978	6.6
83.08614	10.8
85.06538	3.4
85.10165	1.5
87.08084	0.9
91.05471	32.7
93.07034	78.9
94.07401	1.3
95.04965	13.5
95.08597	29.0
97.06522	7.7
97.10166	4.4
99.08088	13.1
105.04490	2.2
105.07021	20.3
107.04955	4.6
107.08583	39.6
109.06504	6.0
109.10152	13.3
111.08072	10.3
113.09654	1.2
117.07001	6.5
119.05980	0.9
119.08575	16.0
121.06498	2.4
121.10129	23.1
123.08041	4.0
123.11688	3.8
125.09633	2.9
129.06982	3.1
131.08559	6.5
133.10120	13.8
135.08028	2.3
135.11681	27.9
137.09610	3.0
137.13260	2.0
139.07509	1.1
139.11183	2.0
141.12675	4.3
143.08560	5.3
145.10103	7.6
147.08020	2.0
147.11676	12.8
149.09599	2.6
149.13240	13.9
151.11182	7.8
153.09158	1.0
153.12752	1.1
155.10770	1.1
157.10106	3.5
159.11659	4.0
161.09569	2.8
161.13245	11.5
163.03966	1.0
163.11159	14.3
163.14781	6.8
165.09131	1.1
165.12773	6.2
169.12253	1.4
171.11740	5.6
173.13269	2.9
175.11182	1.4
175.14822	5.7
177.12761	1.7
179.10614	1.0
179.14291	6.0
181.12288	2.4
185.13216	4.2
189.12712	1.8
191.14342	1.2
193.12216	1.6
199.14743	1.8
203.14270	1.0
207.13765	2.5
213.16435	0.9
217.15889	1.2
217.19513	2.5
221.15363	3.2
231.17514	1.8
231.21025	4.1
235.17111	2.0
241.19461	5.7
249.22073	2.4
259.20529	12.7
277.21594	100.0
278.21909	3.5
297.11179	1.1
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	Stearidonate
Peak:m/z	Relative Intensity
53.03946	4.2
55.05500	21.1
57.07068	4.4
58.73177	2.1
59.27076	1.6
60.28477	1.9
67.05161	3.3
67.05499	42.6
67.05862	2.4
67.30415	1.5
69.07061	22.3
69.54124	1.6
71.04981	3.8
71.08620	4.7
77.03912	3.1
79.05482	81.5
80.94853	1.8
81.03417	7.8
81.07047	44.9
83.04967	2.9
83.08609	7.5
85.06536	2.3
89.06010	2.4
91.05471	39.1
93.07033	100.0
95.04961	17.9
95.08592	26.0
98.22932	10.3
98.97608	2.0
99.08036	2.0
105.04503	4.5
105.07018	19.0
107.07841	2.6
107.08582	49.0
109.06522	2.9
109.10152	11.1
117.07022	4.0
119.08552	15.5
121.10122	32.4
123.08056	3.3
131.08554	5.0
133.10100	12.4
135.11668	37.0
137.09613	2.0
137.13196	1.7
143.08536	3.7
145.10110	2.8
147.11691	8.1
149.02361	4.1
149.09538	2.5
149.13234	16.8
151.11147	4.9
157.10086	2.9
159.11687	1.7
161.09633	2.2
161.13263	6.3
163.11153	2.2
163.14853	7.8
165.12738	2.7
171.11621	2.7
172.41180	1.8
173.13109	2.5
175.14784	4.0
185.13246	2.0
195.13808	2.6
220.64954	1.7
221.15344	2.6
235.13252	2.7
235.16806	2.5
259.20621	5.9
277.21600	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	2.7
55.01863	2.9
55.05254	1.2
55.05508	18.5
57.03423	2.1
57.07069	3.1
59.04984	0.8
65.03938	1.5
67.05499	41.8
69.07063	15.8
69.21118	3.9
71.04984	3.1
71.08625	23.3
73.06519	0.7
74.09262	0.7
77.03930	2.0
79.05486	64.2
80.05804	0.6
81.03418	5.2
81.07050	52.0
83.04979	5.3
83.08617	7.5
85.06538	2.2
91.05473	33.4
93.07037	100.0
94.07357	0.8
95.04958	13.3
95.08597	35.0
97.06527	4.8
97.10149	3.7
99.08083	18.1
101.06049	0.7
105.04523	3.3
105.07016	19.1
105.07733	1.0
107.04951	4.2
107.08583	58.0
109.06513	3.8
109.10142	12.6
111.08049	1.6
113.09666	1.0
117.07036	4.1
119.06062	1.1
119.08569	12.8
121.06547	1.0
121.10132	42.0
123.08053	2.5
123.11688	2.4
127.11212	0.8
129.06993	1.4
131.08553	4.7
133.06487	0.7
133.10114	11.5
134.36142	0.7
135.08047	1.6
135.11682	55.6
136.12024	1.1
137.09604	3.0
137.13295	0.8
139.11229	0.6
141.09126	2.0
143.08568	3.0
145.10092	5.4
147.11655	6.3
149.09526	1.0
149.13237	15.9
151.11165	8.3
152.98782	0.7
153.12761	1.1
157.10118	2.5
159.11661	3.1
161.09537	1.1
161.13243	7.7
163.11194	4.1
163.12369	0.9
163.14815	3.4
165.12740	1.0
167.10667	3.1
171.11739	3.3
173.13284	1.2
175.11185	0.8
175.14819	2.4
177.12743	2.6
179.10730	1.0
179.14296	28.7
180.40004	0.8
181.12228	1.6
185.13240	2.1
189.12759	2.2
195.13843	2.1
199.14844	1.6
203.14311	0.9
203.73724	0.8
207.13834	1.6
207.17448	1.2
213.16389	1.3
217.19539	0.9
221.15390	3.7
235.16922	3.5
241.19536	2.5
259.20584	4.9
277.21600	85.9
278.21951	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	2.3
55.01860	7.2
55.05508	20.8
57.03425	2.2
57.07077	6.3
65.03931	2.4
67.05496	43.8
69.03419	1.5
69.07063	22.6
69.72274	4.2
71.04989	3.0
71.08627	17.5
71.20100	1.0
77.03910	2.4
79.05486	39.7
79.05948	1.9
81.03405	4.7
81.06562	2.5
81.07048	48.2
83.04966	4.0
83.08611	10.8
85.06527	4.7
90.87650	1.0
91.05472	30.2
93.07035	61.9
94.07342	1.2
95.04960	28.3
95.08596	35.3
97.06512	6.6
97.10158	3.6
98.22754	2.2
99.08089	16.9
105.04521	2.7
105.07020	25.4
107.04955	5.2
107.08585	34.1
109.06503	8.3
109.10155	11.2
111.08045	5.4
117.07012	6.5
117.07725	1.2
119.08574	17.7
121.06501	4.4
121.10136	20.7
123.08119	6.9
123.11694	5.2
125.09611	4.9
129.06993	3.2
131.08574	6.5
133.10123	17.5
135.08022	3.2
135.11674	18.9
136.12112	1.2
137.05984	1.7
137.09590	4.3
137.13252	3.1
139.11174	2.0
141.12729	2.0
143.08562	4.9
145.10088	11.1
147.08043	3.3
147.11659	14.0
149.02312	1.7
149.09625	1.9
149.13229	11.6
151.11130	7.3
153.12758	1.6
157.10153	2.8
159.11700	4.6
161.09566	4.1
161.13225	9.6
163.11162	10.2
163.14813	5.0
165.12712	4.9
167.14346	1.5
171.11659	3.4
173.13240	1.9
175.11156	3.3
175.14832	4.4
179.14342	7.1
185.13240	3.5
189.12738	3.0
193.12344	1.7
195.13759	1.6
199.14809	2.3
203.14333	2.6
207.13875	3.1
213.16281	1.2
221.15369	3.7
231.21002	4.5
235.13339	1.3
235.16913	2.6
241.19461	6.4
249.22174	4.4
259.20511	13.4
277.21603	100.0
278.22018	4.6
281.66989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05362	1.0
55.01859	1.6
55.05511	8.9
57.07066	3.1
59.55264	1.0
60.80449	1.0
63.18097	1.1
65.62666	0.9
69.03423	1.4
69.07079	1.5
69.77203	3.4
70.06578	2.7
71.04991	1.4
74.02431	1.5
79.05485	3.5
81.03418	1.3
81.07052	10.4
82.06596	1.3
83.08591	1.3
83.96210	1.0
84.08137	2.8
87.04447	1.3
91.05473	3.4
95.04984	1.4
97.02915	1.2
98.09681	2.3
103.05447	3.5
105.07021	4.1
107.04939	1.3
112.16530	1.1
114.52002	1.1
115.05426	6.1
116.01714	1.4
117.06999	5.6
118.06547	1.6
119.05025	1.5
119.08610	1.7
121.02847	1.3
121.06531	1.3
123.04428	13.3
128.06171	2.9
129.07014	9.1
131.04933	7.9
133.06456	2.4
134.06049	2.4
135.04408	4.0
137.05975	1.6
139.03915	3.2
141.06973	2.6
143.04924	3.5
145.05347	1.9
145.06490	6.6
146.05994	5.2
147.04410	8.8
149.02345	15.0
149.05931	6.2
152.07083	2.6
153.01865	5.8
154.07787	2.6
155.04900	2.3
155.08507	2.4
157.06512	4.4
159.04474	1.4
159.08017	1.4
160.05180	3.9
161.04704	2.2
161.05974	38.6
162.05486	90.2
163.03954	2.3
163.06276	41.4
163.07457	1.7
164.07004	3.5
165.05518	2.1
169.06493	2.1
169.10123	5.2
173.05974	52.5
173.09557	1.9
174.06586	2.8
175.03938	1.2
175.07564	7.0
175.63515	1.1
176.07040	4.2
177.05457	5.3
178.08565	1.9
179.08557	1.7
186.06790	2.7
187.07536	3.1
187.11292	1.3
189.09230	1.8
191.10707	1.3
193.04913	5.4
197.09612	7.0
201.05487	3.3
201.09062	4.3
203.10670	1.7
204.03754	1.9
205.04977	2.6
205.12378	1.6
208.06036	98.0
209.06404	1.8
214.02074	1.2
215.10660	25.6
217.12215	2.5
219.06526	13.5
219.10078	5.8
225.09151	1.7
232.03188	3.9
232.13295	35.0
234.14827	4.7
243.10213	5.1
260.02710	6.5
261.11200	15.1
278.03766	12.8
278.13852	100.0
278.17050	4.3
279.04041	1.2
279.14233	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	42.4
57.07074	14.1
60.58564	0.9
65.03951	1.7
67.05505	1.9
67.42170	1.0
68.80043	1.1
69.03439	1.8
74.97628	1.7
81.07089	1.2
83.04980	1.4
84.96045	4.1
86.97661	1.0
91.05488	2.2
93.03406	1.6
93.07040	1.6
95.04970	2.3
95.08608	2.8
98.97588	16.7
102.76930	1.1
102.97081	1.2
104.86252	0.9
105.07048	2.3
107.04991	1.4
109.02868	1.4
109.37867	0.8
111.04459	1.9
116.98627	15.9
117.06978	1.3
119.04972	1.4
119.08604	2.3
120.03564	0.9
121.02853	7.1
123.08079	4.0
127.03880	1.2
131.04932	1.3
131.08627	1.2
133.10136	1.3
134.99651	9.1
143.03358	1.2
143.08517	1.6
147.08121	1.9
149.02339	100.0
150.02660	1.0
150.99182	3.4
153.00661	2.2
153.01828	15.5
153.03055	1.3
156.09349	1.4
158.99783	1.3
159.08093	1.6
159.11708	1.4
161.09610	1.3
163.00766	1.3
167.03406	2.0
168.83156	1.0
169.00279	2.0
169.01672	2.2
171.11719	2.6
173.09671	1.1
177.00761	1.9
177.02199	10.1
181.01691	2.1
183.03288	5.0
185.01260	1.9
187.02809	1.5
187.11206	1.9
193.01752	4.4
195.03310	11.0
197.09608	2.2
199.11142	9.1
201.04370	5.8
201.08958	1.3
203.02328	1.3
207.03316	2.9
211.02794	6.3
215.10663	4.1
217.12256	2.3
219.05583	1.8
221.01288	1.6
225.04372	6.3
227.02245	1.2
233.11723	2.4
235.02687	2.0
237.00761	2.4
239.02336	4.5
243.10258	1.4
245.03282	2.3
253.03824	2.7
255.01721	14.1
271.04736	1.0
273.02829	3.7
279.04291	5.0
279.09430	1.1
279.12405	3.3
297.05508	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
55.63895	0.9
56.96560	22.3
57.07073	13.2
65.03954	2.1
67.05505	1.4
69.03415	1.0
70.39392	1.4
74.97621	1.3
84.96022	3.0
85.02925	1.0
90.45737	0.8
91.05480	1.4
93.03413	1.8
93.07032	0.9
95.08607	2.0
98.23088	2.1
98.97585	13.2
104.16940	0.8
105.07043	1.5
111.04436	2.3
116.98626	10.5
117.07004	0.9
119.08601	1.3
121.02863	6.2
121.04026	1.0
123.08085	1.9
127.52077	1.0
130.65358	0.9
131.04970	1.0
133.57059	0.9
134.99649	6.7
141.06963	1.1
149.02330	100.0
150.99113	2.2
153.01811	9.8
155.08505	1.0
156.09337	1.9
159.04478	1.2
159.11693	1.4
165.02278	1.1
167.03375	1.7
169.00288	1.9
169.01785	1.5
171.11755	1.1
177.00806	2.0
177.02257	5.3
181.01547	1.2
183.03287	3.7
193.01689	2.7
195.03217	5.6
199.11192	4.5
201.04367	3.4
207.01472	1.1
207.03375	2.9
211.02766	3.4
215.10747	2.9
219.05615	1.8
225.04366	3.6
233.04140	1.3
233.11790	1.0
235.02612	1.4
239.02325	2.2
253.03835	1.4
255.01770	8.5
271.04865	1.0
272.25287	1.0
273.02737	2.5
279.04727	4.1
279.09262	2.1
279.12051	2.0
297.05527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	34.5
67.20175	0.4
69.79248	0.9
69.79597	1.1
71.41666	0.4
74.97603	1.5
84.96024	6.8
86.54055	0.5
86.97594	1.3
97.96797	0.6
98.97572	82.5
99.97874	0.5
102.97036	0.6
104.40061	0.5
110.97558	7.7
112.99111	2.8
116.98612	28.0
123.05733	0.5
124.99104	12.4
126.96977	0.5
128.00217	0.4
128.98593	5.2
131.00151	1.8
134.99637	6.6
136.99048	0.7
139.00650	0.9
140.00174	0.4
140.98572	7.1
143.00143	24.9
144.98061	1.1
146.99648	1.3
152.98587	1.2
153.00668	0.8
155.00151	1.6
156.98117	0.6
157.01746	0.6
158.99635	16.7
161.01205	11.5
170.99654	1.2
173.01189	0.9
174.99142	0.8
177.00691	15.9
189.00748	0.7
195.01746	1.3
195.35619	0.5
195.37651	0.5
201.00659	2.7
212.93265	1.0
213.83884	0.5
219.01727	25.5
237.02788	100.0
238.03188	1.0
239.01439	0.4
255.03850	87.0
255.96210	0.6
256.04230	1.5
260.04364	1.0
272.95255	1.8
273.04898	4.4
278.05481	0.6
279.01086	1.0
279.03824	29.5
280.04123	0.6
297.04895	45.7
298.05255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98648	0.6
56.96561	8.7
70.15585	1.3
70.15936	0.9
84.96009	0.8
98.22833	0.7
98.97572	100.0
110.97562	24.5
116.98610	39.9
124.99110	1.0
128.98596	20.5
131.00139	0.6
134.99648	9.5
135.57141	0.6
140.00159	0.8
140.98573	0.6
143.00133	1.6
145.45924	0.5
146.99644	6.7
149.02341	2.2
158.99637	37.0
159.99892	0.6
165.00716	0.7
170.99641	12.1
177.00693	41.3
185.63797	0.7
189.00687	20.5
195.01721	3.3
204.97957	0.5
207.01718	9.6
219.01727	5.0
225.02605	0.7
237.02766	9.3
251.02347	0.6
255.03859	5.5
270.09036	0.5
279.03867	5.4
297.04977	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	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14061	1.1
56.96558	7.1
71.89356	1.0
72.09160	1.0
78.45444	1.0
84.08126	1.4
86.10828	0.9
98.71828	1.0
98.97575	100.0
110.97561	16.2
116.98610	48.3
123.52283	1.0
128.98589	14.4
134.99648	13.5
143.00169	2.3
146.99626	5.2
149.02385	3.5
153.00616	1.7
158.99637	45.1
170.99600	8.4
177.00702	58.5
189.00694	15.9
195.01735	4.3
200.02348	1.5
207.01738	9.4
219.01779	7.0
237.02831	12.6
255.03804	7.7
279.04501	10.4
297.04904	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	279.1703
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03934	0.3
57.07075	2.4
60.07210	0.3
65.03936	0.4
68.07674	0.2
69.07059	0.7
69.83958	0.6
74.00669	0.5
79.05508	0.5
81.07024	0.3
86.09702	8.3
91.05494	1.0
93.07045	1.8
95.04980	0.4
95.08596	0.4
97.02893	0.3
98.22973	0.6
98.97536	0.4
103.05463	5.6
105.07046	0.4
116.98653	0.3
117.07024	0.5
120.01144	0.7
120.08098	100.0
121.02843	1.0
121.08443	1.6
132.10188	2.9
133.06508	0.3
145.06470	0.3
149.02332	18.6
153.01816	1.8
153.02892	0.3
153.10320	0.3
154.76917	0.3
167.03354	0.4
177.00783	0.3
211.35193	0.3
219.05731	0.3
219.08069	0.4
233.16519	2.1
279.04980	0.3
279.09970	0.5
279.17102	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	279.1702
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
51.59538	0.4
57.05809	0.6
57.07071	3.7
61.65728	0.4
67.05482	0.5
69.07062	13.4
71.42237	0.5
76.26564	0.4
81.07087	0.4
85.02899	0.4
86.09695	100.0
87.10030	1.5
91.89210	0.4
98.97588	1.1
100.22521	0.4
103.05473	0.8
105.00142	0.5
105.06992	0.6
105.37059	0.4
107.92062	0.4
116.98579	0.4
119.08585	0.5
120.08094	16.7
121.02879	1.2
128.08180	0.4
142.06615	0.5
144.01324	0.4
145.06607	0.4
149.02322	28.1
153.01799	2.9
153.02956	0.5
166.08603	4.0
177.00735	0.5
233.16374	0.6
235.07527	0.4
279.04788	0.6
279.09290	0.6
279.12131	1.5
279.17004	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.02378	0.2
57.07074	1.7
69.07057	0.5
69.77441	0.2
79.01835	0.5
79.05480	0.4
81.03396	0.6
86.09702	6.5
91.05470	0.9
93.07036	2.2
93.59429	0.2
95.04964	0.7
98.97556	0.7
103.05457	5.6
105.03379	1.2
109.02872	0.6
116.98630	0.4
120.08091	100.0
121.02852	0.8
121.08428	1.8
125.02341	0.3
127.03870	0.3
131.04889	0.2
132.10193	1.8
142.68871	0.3
143.03342	0.6
149.02330	17.6
150.02684	0.3
153.01813	8.1
153.02914	0.5
161.72997	0.3
167.03192	0.3
177.00687	0.3
205.04936	0.3
219.05800	0.3
233.16417	1.1
256.42184	0.2
279.05090	2.1
279.09543	0.6
279.17023	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	279.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55265	0.5
56.31118	0.5
57.07056	2.1
61.93721	0.5
70.37342	0.7
70.37690	0.9
70.68013	0.4
71.00304	0.4
98.97583	0.6
110.97563	0.5
121.02863	1.0
149.02319	17.0
149.85721	0.5
153.01762	1.8
164.77344	0.4
173.73131	0.4
219.05766	0.5
219.08009	0.9
279.09558	2.1
279.19272	100.0
280.19690	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	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02364	1.4
53.03941	8.1
55.01859	4.6
55.05505	40.3
57.03432	29.7
57.07061	2.7
57.36205	1.4
63.33280	1.3
65.03921	4.7
66.91641	1.3
67.05496	90.5
68.05824	2.6
68.75318	1.4
69.07058	15.5
69.59913	3.6
71.04988	2.8
73.06541	3.3
77.03897	2.5
79.05486	100.0
80.05814	1.8
81.03410	15.8
81.07047	63.2
83.01458	1.4
83.04972	38.1
83.08610	8.8
83.27017	1.3
85.06534	3.1
91.05468	70.5
93.07034	73.8
95.04961	30.2
95.08594	38.2
97.06528	8.2
97.10168	4.9
98.12910	1.3
98.97565	5.6
103.05427	2.1
104.99191	1.4
105.04500	3.6
105.07021	50.5
105.07737	2.5
107.04932	6.5
107.08594	19.7
109.06498	9.5
109.10118	7.0
111.08041	2.2
116.98581	3.0
117.07000	9.2
119.08564	32.8
121.06509	4.6
121.10140	5.4
123.08086	7.5
123.11680	1.6
127.07535	2.2
128.06201	3.2
129.06987	19.6
131.08559	3.1
133.06409	1.7
133.10109	15.3
134.99568	1.4
135.08014	2.5
135.11649	3.1
143.08578	9.9
145.10126	12.4
147.08015	3.8
147.11670	42.6
161.09610	5.9
161.13223	17.8
171.11659	32.5
179.14285	2.4
189.12703	9.2
207.13799	13.3
230.56509	1.4
258.99741	4.1
277.00912	3.5
281.17450	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02371	1.3
53.03950	6.0
55.01869	4.6
55.05503	34.1
57.03432	25.0
65.03942	5.8
67.05496	94.1
69.03423	2.6
69.07057	18.9
69.14155	6.7
69.14558	2.1
71.04989	4.3
71.75785	1.3
77.03930	2.5
79.05485	100.0
81.03403	15.6
81.06561	3.1
81.07044	64.8
82.07372	1.5
83.04474	1.8
83.04971	35.0
83.05437	2.7
83.08598	8.2
85.02919	2.7
85.06551	6.1
91.05468	73.4
92.05828	1.7
93.07032	72.9
94.07391	1.8
95.04964	32.8
95.08596	40.8
97.06522	6.7
97.10162	5.1
98.97575	2.1
99.08086	2.4
103.05490	2.0
105.04518	5.6
105.07019	48.4
107.04963	7.7
107.05623	1.3
107.08582	23.2
109.06492	8.1
109.10127	8.6
111.08093	3.2
116.98600	3.8
117.07018	9.3
117.31655	1.3
119.08560	33.5
121.06502	5.6
121.10145	6.0
123.08057	8.4
123.11718	1.8
124.75553	1.3
127.07577	2.6
128.06215	3.5
129.06973	19.1
131.08594	5.4
133.10127	14.2
135.08083	2.3
135.11728	4.4
143.08527	10.7
145.10114	12.1
147.08037	3.3
147.11667	34.0
159.11742	2.7
161.09634	5.4
161.13223	17.2
163.11191	2.6
171.11674	30.5
179.14288	1.9
182.25647	1.6
189.12711	9.6
192.44165	1.6
207.13763	13.1
277.00797	3.1
277.12256	1.4
281.17465	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.71671	1.3
53.03941	6.3
54.64914	1.3
55.01866	5.8
55.05505	40.3
57.03432	29.9
57.07069	2.2
57.61190	1.6
65.03933	5.5
67.05496	97.5
68.05829	1.7
69.03417	2.1
69.05371	7.6
69.05790	5.5
69.07062	20.0
69.63367	1.5
71.04990	4.5
71.08622	4.1
73.06537	2.2
77.03899	1.6
79.05484	100.0
81.03419	16.1
81.07046	74.8
82.07402	1.7
83.04972	37.9
83.05438	2.8
83.08604	12.1
85.06535	5.6
91.05470	73.6
92.05808	2.2
93.07037	81.9
95.04955	36.1
95.08595	45.4
96.55611	1.5
97.02881	1.8
97.06532	5.1
97.10151	5.7
98.97581	2.2
99.08111	1.9
105.04525	4.6
105.07018	52.0
107.04944	10.6
107.08585	25.5
109.06505	9.3
109.10141	10.2
111.08072	2.8
116.98609	2.3
117.07005	12.0
119.08568	34.3
121.06445	4.1
121.10137	8.5
123.08051	9.8
128.06212	2.3
129.06981	19.3
131.08539	3.6
133.10110	18.3
135.08063	2.7
135.11702	5.6
136.11955	1.5
143.08545	11.3
145.10101	12.4
147.08089	4.3
147.11670	39.8
154.73505	1.6
161.09636	5.8
161.13231	18.1
163.11156	1.8
171.11684	31.9
179.14330	2.3
189.12683	9.8
207.13774	14.3
221.13187	2.0
230.97134	1.8
281.17392	38.6
281.29492	1.5
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
52.83817	2.1
53.03945	7.8
55.01859	5.8
55.05505	34.5
55.79043	2.2
57.03432	26.4
61.02922	2.7
65.03938	2.8
67.05498	88.1
69.03440	3.1
69.07062	20.1
69.53447	9.7
71.04974	3.6
73.06559	3.9
79.05489	100.0
79.05950	5.4
81.03419	16.8
81.07051	62.8
83.04979	38.6
83.08604	10.7
85.06540	5.3
91.05474	71.7
93.07038	79.9
95.04960	34.6
95.08020	4.2
95.08601	45.3
97.06532	8.3
97.10155	5.2
98.22663	3.6
98.97572	19.7
104.99274	7.6
105.04511	4.8
105.07024	54.4
107.04940	11.7
107.08578	23.2
109.06514	7.7
109.10159	7.8
110.43634	2.4
111.08054	2.8
116.98599	13.2
117.07004	8.4
119.08558	29.6
121.06525	3.0
121.10130	4.3
123.08067	10.1
128.06189	3.7
129.06990	20.0
131.08563	4.1
133.10114	15.5
134.99658	7.8
137.09521	2.7
137.30383	2.4
143.08549	10.6
145.10100	11.9
147.08023	3.9
147.11685	36.9
161.09633	3.8
161.13235	20.6
171.11659	35.6
189.12743	9.0
207.13808	11.0
215.69225	2.4
234.92157	3.5
258.99667	11.3
271.04010	2.4
277.00742	15.1
281.17395	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	7.4
54.96778	0.9
55.01865	4.2
55.05507	31.1
57.03436	26.5
57.07056	1.3
59.04991	1.1
62.26186	1.0
63.89134	0.9
65.03934	5.2
67.05499	88.3
69.03442	1.5
69.07063	16.3
71.04989	3.0
73.06547	2.0
77.03918	1.6
79.05487	100.0
80.05816	1.4
81.03418	13.8
81.07053	58.5
83.04974	36.4
83.08614	9.4
85.06544	3.3
91.05473	74.4
93.07038	73.8
94.07349	1.4
95.04962	32.4
95.08020	2.2
95.08601	37.8
97.02911	1.6
97.06519	6.8
97.10168	4.7
98.97515	1.2
99.08095	1.5
103.05452	2.2
105.04498	4.3
105.07023	54.1
105.07733	2.6
107.04935	8.9
107.08587	21.5
109.06517	9.4
109.10136	7.5
111.08083	1.5
115.05447	2.1
117.07005	10.3
119.08575	33.5
121.06467	2.5
121.10135	5.6
123.08058	8.0
127.07554	1.5
128.06189	2.5
129.07004	18.9
131.08536	3.8
133.10123	11.7
135.11671	4.0
137.09589	1.0
141.09058	1.5
143.08580	10.3
145.09033	1.5
145.10107	11.6
147.08049	2.7
147.11679	37.2
147.12846	1.9
148.12039	1.4
148.19037	1.4
156.09387	1.1
158.18007	1.0
161.09602	3.9
161.13223	15.5
170.61652	1.1
171.11684	30.9
179.14293	1.3
189.12730	12.5
202.60254	1.1
207.13763	12.2
277.00629	1.5
281.17459	37.8
282.17908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68696	1.2
53.03932	4.3
55.01861	7.1
55.05503	33.9
57.03428	30.8
57.07067	2.1
65.03936	4.2
67.05493	81.3
69.03425	1.9
69.07055	16.6
69.08002	8.4
71.04979	3.3
73.06551	1.7
77.03878	2.0
78.04681	1.3
79.05479	100.0
79.37595	1.1
81.03411	14.9
81.07045	65.9
83.04969	38.0
83.08602	8.8
85.06539	2.2
88.09616	1.1
91.05465	69.0
92.05827	1.8
93.07029	71.4
94.07375	1.4
95.04953	31.0
95.08592	38.5
95.09208	2.0
97.02888	2.2
97.06514	6.8
97.10154	4.4
98.97585	5.3
99.08064	1.3
103.05462	1.2
104.99256	2.4
105.04514	4.0
105.07014	53.2
107.04939	10.8
107.08578	23.5
109.02868	1.9
109.06516	9.7
109.10119	7.4
109.41852	1.2
111.04388	1.5
111.08108	2.3
113.05981	1.3
115.05455	1.6
116.98628	2.9
117.06992	9.5
119.08556	32.4
121.06493	4.0
121.10119	6.4
123.08054	10.7
127.07577	1.8
128.06223	2.8
129.06993	18.2
131.08563	3.3
133.06462	2.1
133.10115	14.4
134.99643	2.0
135.08018	1.2
135.11662	2.5
143.08551	9.3
145.10097	11.8
147.08025	4.1
147.11659	40.5
153.73889	1.1
159.11789	1.3
161.09598	4.7
161.13208	15.0
162.21750	1.2
165.07016	2.2
169.10237	1.3
171.11667	29.8
181.93652	1.4
189.12695	9.2
207.13744	13.7
210.06706	2.1
221.05991	1.3
238.06149	1.9
253.08572	4.7
258.84442	1.2
258.99710	2.7
266.05600	2.9
277.00787	4.5
281.08023	13.2
281.11118	2.8
281.17371	34.6
299.06094	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.49501	1.1
51.02369	1.3
52.53857	1.2
53.03944	6.5
55.01857	4.5
55.05259	2.0
55.05506	29.7
57.03434	24.4
57.07072	1.6
65.03919	2.9
66.92058	1.2
67.05499	80.1
69.03418	3.0
69.03992	1.3
69.06753	1.5
69.07064	14.8
69.28722	7.2
71.04978	2.5
72.79434	1.0
73.06554	2.9
77.03926	1.3
79.05486	100.0
80.05843	1.5
81.02962	1.5
81.03411	19.1
81.07049	58.6
83.04977	33.0
83.08622	9.8
85.06545	2.9
89.47713	1.2
91.05473	63.6
93.07036	64.8
95.04963	32.1
95.08596	41.1
95.09215	1.8
96.08898	1.9
97.06528	6.2
97.10160	4.7
98.23453	2.2
105.04512	3.3
105.07024	47.7
105.07731	2.4
107.04951	9.0
107.08584	22.4
109.06495	7.5
109.10160	8.8
111.08057	1.3
113.06020	1.6
115.05453	1.6
117.06995	11.4
119.08575	31.0
121.06488	3.9
121.10121	5.6
123.08067	7.5
127.07530	2.2
128.06194	3.5
129.06990	18.9
131.08542	3.3
133.06483	1.2
133.10118	15.0
135.11691	3.4
137.09660	1.5
141.09038	1.2
143.08525	10.2
145.10104	9.7
147.08095	2.2
147.11673	36.6
159.11655	1.7
161.09569	3.4
161.13220	15.4
171.11676	27.4
171.13046	2.2
172.48048	1.1
189.12752	12.7
207.13782	13.4
251.67342	1.4
281.17386	36.9
281.22198	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03930	7.6
55.01859	4.8
55.05506	36.5
57.03433	26.0
63.79324	1.1
65.03942	4.0
67.05497	74.1
69.03390	3.2
69.07060	14.7
70.71413	2.9
71.04977	3.1
73.06541	4.3
75.57994	1.5
77.03921	2.1
79.05483	100.0
81.03406	14.9
81.07046	63.0
83.04472	2.2
83.04969	34.6
83.08620	8.7
85.06531	5.1
87.64951	1.3
88.82848	1.5
91.05467	67.6
93.07034	75.7
94.07363	1.5
95.04961	31.9
95.08595	40.2
97.06499	6.7
97.10155	4.9
99.08083	1.4
103.05470	1.5
105.04511	3.0
105.07016	47.4
107.04919	8.4
107.08583	22.6
109.06514	11.8
109.10143	6.7
110.98755	1.3
111.08093	3.3
112.90791	1.6
113.09700	1.3
116.29312	1.3
116.98605	1.5
117.07000	9.8
117.72984	1.4
119.08558	29.5
121.06522	3.4
121.10145	4.0
123.08038	6.8
123.11703	2.3
127.07549	2.3
128.06248	3.0
128.30377	1.5
129.06989	19.9
131.08545	2.6
133.10100	14.0
135.11719	2.1
143.08533	8.2
145.10098	12.8
147.08009	4.1
147.11673	35.4
156.09366	2.0
157.10130	2.8
159.11700	1.9
161.09593	5.6
161.13245	16.8
169.10124	1.6
171.11674	25.6
178.75861	1.6
189.12766	9.1
207.13744	12.2
235.34178	1.6
281.12247	1.4
281.17447	35.6
281.22412	1.9
282.18082	1.8
298.02972	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	10.8
69.88360	0.9
69.88739	0.9
71.95249	0.5
94.80715	0.4
98.97573	100.0
104.53632	0.5
115.21145	0.5
116.98612	49.8
125.06266	0.4
127.70860	0.4
134.99643	14.4
140.00235	0.6
149.35031	0.4
149.41281	0.4
153.00682	1.6
174.94635	0.6
177.00897	1.1
192.98694	0.6
198.97731	0.7
216.98891	0.9
219.01979	2.6
220.02110	1.3
234.99905	3.2
236.98579	0.6
240.98676	4.2
253.00935	0.5
258.99753	45.7
259.99911	2.0
277.00790	61.6
278.00964	3.5
282.01334	0.5
282.99960	9.8
295.01712	1.0
300.02164	0.8
301.01013	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	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	18.4
58.99839	0.5
69.03423	1.5
70.38290	0.8
71.95250	0.6
73.02897	0.9
81.03409	1.3
84.04473	0.6
84.96004	0.5
85.02897	0.9
97.02885	0.7
98.97572	100.0
99.04439	0.5
110.97562	1.1
116.98606	58.7
117.98960	0.5
118.98148	0.4
124.00722	1.5
128.98584	1.8
130.93237	0.5
134.06006	1.3
134.25041	0.4
134.99641	20.8
140.00183	1.8
142.01743	7.5
142.03458	0.5
143.00136	0.8
146.99594	1.2
150.07735	10.4
152.07065	1.0
153.00696	1.9
153.01805	0.6
158.01270	1.9
158.99628	1.3
159.04430	1.1
160.02797	4.6
161.01233	0.8
163.03966	0.6
172.94275	1.1
174.04437	0.5
174.97621	0.7
177.00710	1.4
177.05501	0.5
184.00243	0.7
184.04550	1.3
187.50928	0.5
189.00821	0.5
197.99925	0.7
202.05588	1.5
203.03386	3.8
207.00435	0.8
216.98746	0.7
219.00224	0.9
219.02090	0.7
221.04343	2.5
221.06250	0.5
229.01224	0.6
231.00560	0.9
231.02850	0.5
234.01038	0.6
234.99770	1.0
237.05508	0.6
239.07068	0.7
240.01109	0.9
240.98653	3.7
247.02336	0.7
247.77039	0.5
257.00644	1.1
258.99738	43.5
259.99744	2.2
275.01825	1.8
277.00778	61.0
278.00946	2.9
281.11496	0.6
282.11673	1.8
285.00238	1.5
295.01837	0.9
300.02307	0.5
301.00375	0.6
301.06985	1.9
302.97760	0.6
303.01303	12.3
304.01654	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	9.9
62.22576	0.4
66.18070	0.4
69.03396	0.5
69.89144	1.4
71.95232	0.5
85.02863	0.6
93.77409	0.4
98.97571	100.0
99.77930	0.5
99.97905	0.7
116.98608	52.6
123.25925	0.4
127.74487	0.5
134.99638	15.2
140.00159	0.9
150.07689	1.5
151.20419	0.4
153.00677	1.7
156.58327	0.5
160.04478	0.8
177.78993	0.4
184.04578	0.9
202.05551	1.2
216.98653	0.8
234.68343	0.4
234.99823	0.9
240.98622	3.0
258.99744	43.8
259.99966	1.6
277.00778	64.2
278.00961	2.3
295.01752	1.0
303.01505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	51.4
57.56594	0.5
59.23928	0.6
67.97248	0.6
69.03421	4.4
71.42020	0.6
72.96039	0.8
74.97594	1.2
81.03406	2.1
83.97618	1.9
85.02918	0.7
91.04015	0.6
92.01897	0.6
97.99180	5.7
98.97568	10.8
99.04436	2.5
99.97914	1.3
102.96864	2.2
106.96519	0.9
108.47786	0.7
109.99171	1.0
112.00706	1.6
114.02293	1.2
116.00209	3.5
116.98592	6.0
121.99149	2.8
124.00690	20.8
128.00200	1.4
130.93282	3.3
131.01308	0.9
132.03323	1.0
134.01256	0.9
134.99658	1.4
136.00755	0.8
140.00162	19.7
142.01743	100.0
143.02060	0.8
146.01262	0.9
148.94357	0.7
150.00722	1.0
150.07698	0.9
154.01736	5.1
157.02850	2.2
158.01219	14.2
158.02521	0.7
158.99721	1.3
159.04395	7.8
160.02795	60.3
161.03252	0.9
163.84245	0.6
166.01743	1.5
168.03285	0.8
170.05106	1.0
172.02782	4.1
172.94278	5.4
176.02298	1.8
177.05432	3.3
178.03830	2.9
182.14801	0.6
185.02278	4.1
186.00717	5.9
190.03923	1.2
190.95358	4.6
194.01224	0.9
194.04796	1.1
203.03363	59.9
204.01784	8.6
204.03645	1.3
208.96521	1.4
212.02313	1.5
212.05986	1.0
219.04369	2.3
221.04341	39.8
222.02802	2.0
226.03677	0.8
229.96417	0.9
237.05472	5.9
239.07071	7.4
243.98022	0.9
247.97610	0.7
255.06425	1.2
257.07925	3.1
259.99969	2.1
261.03049	2.5
265.04962	4.6
266.03424	3.2
278.00851	3.4
283.05991	10.9
301.00150	4.0
301.07019	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0687
Annotation	Niflumic acid
Peak:m/z	Relative Intensity
56.62143	8.7
56.63793	10.4
59.69904	11.4
70.55688	9.7
102.82278	9.2
129.49185	10.2
133.05301	12.3
154.02583	16.1
167.02187	40.7
168.00555	27.4
265.05762	59.1
283.06891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01858	2.3
55.05513	3.0
55.48020	0.6
57.03423	3.4
59.05002	4.6
65.03922	1.2
65.13380	0.5
67.05511	3.6
68.60106	0.6
68.99780	1.2
69.03414	1.9
69.07076	0.6
70.92718	0.7
71.04971	0.7
77.03913	0.9
79.05502	3.1
81.03413	2.2
81.07053	6.1
83.04962	1.9
83.08597	0.9
85.02895	1.9
91.05471	9.1
93.07037	9.0
95.04959	6.6
95.08592	1.5
97.06548	0.8
98.97598	0.6
99.04461	0.7
101.02367	1.2
105.04518	2.0
105.07021	1.8
107.04950	2.1
107.08595	1.9
109.06515	8.9
110.90691	0.7
111.04445	0.7
117.04234	0.5
117.07037	1.7
119.04935	0.9
119.08575	1.7
121.06495	1.6
121.10096	1.0
123.04425	11.6
123.08032	3.3
125.06000	0.6
127.03904	1.5
129.07146	0.6
131.08594	0.9
135.11697	1.7
137.05972	57.7
138.06372	1.1
145.06473	1.2
145.10106	2.4
147.04433	1.0
149.05945	1.3
151.03899	100.0
152.04237	1.8
153.12769	0.6
155.46367	0.6
163.11192	3.2
165.05484	3.7
177.05515	1.2
181.08563	1.0
181.12134	0.7
191.07054	2.3
193.04964	7.9
197.08080	70.8
198.08432	2.0
201.05524	1.4
205.08606	1.4
209.11696	1.6
219.06471	4.2
225.07570	29.3
226.07874	1.1
233.08121	1.4
251.09119	5.8
283.12317	1.0
283.15280	4.6
301.52466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1328
Annotation	Obovatol
Peak:m/z	Relative Intensity
55.01869	13.7
67.97048	1.4
77.03918	2.2
79.05493	11.6
81.07029	2.6
83.30009	1.8
86.36195	1.5
89.05999	3.1
91.05476	38.6
93.07043	25.2
93.07594	2.1
95.04950	15.8
97.02879	2.3
103.05458	66.4
104.06264	12.6
105.04520	3.9
105.07021	18.6
107.04948	33.7
107.54613	1.4
115.05440	11.1
116.06238	1.9
117.07008	42.4
118.07802	7.5
119.04951	5.9
121.02939	1.6
121.06495	100.0
122.03645	4.6
125.02342	1.9
129.07047	2.1
131.04919	22.4
131.08624	2.4
132.05695	11.0
133.06477	17.4
133.08583	2.4
134.07251	4.1
135.04390	8.6
135.08002	3.7
137.05991	11.0
138.43495	1.7
139.03940	2.6
143.08580	2.0
145.06432	2.9
147.04417	5.0
147.08060	6.4
149.05960	53.8
150.06760	29.1
159.07997	2.2
177.09050	5.6
181.06490	3.1
195.08121	1.8
197.05940	2.3
209.06003	1.7
213.05444	44.2
215.06888	2.1
220.71349	1.5
224.08192	2.4
226.06248	2.0
227.07036	3.8
236.08307	7.1
237.09093	3.8
237.12776	2.3
241.08578	11.5
242.09375	18.6
254.09262	1.9
255.10228	7.4
265.12219	3.0
283.13202	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89333	1.0
53.03922	2.0
55.01872	9.0
55.05503	12.1
56.65374	0.9
57.03432	9.3
59.04977	1.4
65.03935	1.0
67.05499	12.0
69.03413	2.5
69.07067	5.6
69.10186	2.9
69.10600	3.4
70.06561	1.6
71.04984	3.0
78.52038	0.9
79.05483	18.0
81.03401	7.1
81.07047	17.4
83.01325	2.9
83.04971	8.6
83.08594	8.2
85.02898	3.1
85.06532	1.3
85.78436	1.2
91.05457	8.5
93.07030	26.7
95.04971	6.6
95.08598	20.7
97.02872	2.5
97.06506	3.4
99.04451	3.0
103.05453	1.6
105.07024	7.6
107.04934	7.2
107.08573	15.6
109.06477	3.7
109.10142	3.7
111.04421	2.9
111.08045	2.8
117.06992	4.9
119.08559	8.4
119.39828	1.0
121.02850	3.1
121.06491	4.7
121.10143	7.5
123.08025	3.5
125.06060	1.2
129.06956	2.1
130.07808	1.4
131.08548	3.9
132.79964	0.9
133.10088	3.0
135.08014	1.4
135.11684	25.0
137.09630	0.9
139.07474	1.0
143.08481	2.8
145.10092	15.7
147.07990	1.3
153.12708	5.3
155.08510	2.1
157.10117	1.8
159.08130	1.1
159.11716	1.2
163.11171	31.6
169.10056	1.3
173.09592	2.7
173.13176	1.1
177.50905	0.9
181.12274	9.5
187.02258	1.0
187.07568	2.6
191.10558	1.5
197.13297	3.1
209.11684	3.2
211.14786	1.7
223.07498	1.2
227.12729	41.2
228.13091	1.3
233.11432	4.1
240.07867	1.4
268.07175	1.8
283.09650	5.9
283.15149	100.0
283.20447	6.7
284.15430	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.96153	1.8
53.03933	4.7
55.01619	3.1
55.01866	34.2
55.05507	63.4
57.03434	60.5
57.07064	5.7
59.04996	9.5
65.03918	2.4
67.05497	37.8
69.03397	5.0
69.07069	11.3
69.82454	3.0
69.82806	6.2
71.01339	6.2
71.04984	11.3
71.75971	1.8
79.05044	3.5
79.05486	64.9
81.03037	2.0
81.03416	27.6
81.07053	46.4
83.01329	32.7
83.04527	3.2
83.04974	39.6
83.08608	35.5
85.02894	10.0
85.06525	4.0
89.06005	9.4
91.05468	44.5
93.07037	81.9
93.24192	2.1
95.04952	20.8
95.08594	25.3
97.02872	7.8
97.06510	14.1
97.10141	3.7
99.04422	8.9
105.07013	27.9
107.04939	25.5
107.08580	39.4
109.06519	21.8
109.10141	7.9
111.04406	11.6
111.08041	5.0
117.07021	24.3
119.08569	26.3
121.06483	7.9
121.10138	25.9
121.93686	2.0
123.08052	30.0
124.31805	2.1
125.05965	6.2
125.09669	4.0
129.06955	6.2
129.46718	2.1
130.07771	5.8
131.08542	9.2
133.08540	3.0
133.10091	7.6
135.08005	7.0
135.11674	46.0
137.09599	4.3
139.07428	3.1
143.08444	2.2
145.10110	45.7
147.08011	10.4
149.09563	2.1
153.12714	8.6
155.08549	4.1
163.11162	92.9
164.11478	4.9
173.09569	12.7
177.08881	2.5
181.12239	16.9
185.13495	2.1
191.10654	13.5
209.11710	23.9
227.12747	23.7
283.15353	100.0
283.20505	5.3
284.15686	3.4
301.05963	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.43290	2.2
52.78505	1.9
53.03933	6.6
55.01619	3.2
55.01868	47.0
55.05508	79.7
57.03434	60.4
57.07045	5.9
59.05000	14.8
63.32937	1.9
65.03473	1.8
65.03903	3.9
67.05160	3.0
67.05501	50.2
67.39546	1.8
69.03413	3.7
69.07057	13.9
71.01331	4.5
71.04984	19.3
77.37348	2.0
79.05050	4.1
79.05489	76.5
81.02963	2.6
81.03414	38.2
81.07051	62.9
83.00883	2.3
83.01334	36.4
83.04975	52.3
83.08128	2.3
83.08614	43.6
85.02892	13.5
85.06515	6.6
91.05472	52.8
93.07038	95.2
95.04959	26.0
95.08595	33.5
97.02890	9.6
97.06526	18.8
97.10130	2.4
98.22642	5.2
98.97547	2.4
99.04421	8.7
99.08064	2.7
103.05447	3.4
105.04519	3.0
105.07018	32.3
107.04945	29.4
107.08578	39.6
109.06502	24.1
109.10161	5.9
111.04425	16.1
111.08074	8.4
117.07012	26.1
119.05019	2.2
119.08558	29.6
121.06459	11.9
121.10135	26.9
123.04428	2.5
123.08043	26.2
125.05958	4.7
125.09600	5.6
129.06992	5.6
130.07721	3.2
131.08556	10.9
133.10104	7.2
135.08015	8.4
135.11684	49.0
137.09592	3.8
139.07542	2.8
143.08545	3.8
145.06477	3.9
145.10109	52.8
147.08032	6.4
147.11658	2.3
149.05980	2.7
149.09676	2.6
153.12721	16.4
155.08527	4.5
163.11165	100.0
173.09604	16.0
181.12231	18.7
191.10664	15.8
209.11684	32.8
227.12740	22.8
283.15353	99.5
284.15710	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.9
53.02080	0.8
53.03935	1.7
55.01869	6.2
55.05507	16.4
57.03433	12.4
57.03702	1.5
57.07059	1.1
65.03920	1.2
67.05496	24.0
67.55150	0.8
69.01635	0.8
69.03425	3.9
69.07066	8.0
69.43702	0.8
70.06587	2.9
71.02240	0.8
71.04975	3.6
73.02923	2.0
79.05486	30.9
80.05840	1.2
81.03420	5.7
81.07050	25.8
83.04984	6.1
83.08604	8.7
84.76434	0.8
85.02889	2.0
91.05473	11.4
93.07039	45.7
95.04961	10.6
95.08599	40.3
95.09221	1.9
96.08929	1.4
97.02865	5.9
97.06522	4.6
98.97552	1.1
99.04453	4.9
103.05472	3.8
104.05807	1.6
105.04466	1.0
105.07018	10.3
107.04948	13.9
107.08588	27.9
108.05264	1.0
109.06465	4.3
109.10130	4.8
111.04462	2.3
111.08090	0.9
112.07583	2.7
117.07005	11.1
119.08562	12.0
121.02868	3.3
121.06493	8.3
121.10142	16.1
123.08050	2.0
125.06027	2.7
129.06952	1.7
130.07779	2.6
131.04955	2.2
131.08534	2.8
133.10135	4.9
134.09616	1.0
135.08061	3.4
135.10034	2.2
135.11682	48.1
136.12077	1.1
139.07504	2.7
143.08549	2.6
145.06453	1.2
145.10112	32.3
145.62732	0.9
147.08026	1.6
152.69823	0.9
153.12740	2.8
155.08562	1.6
157.10112	1.8
163.11169	70.1
164.11545	2.2
164.40132	1.0
167.08537	1.2
167.41411	0.9
173.09621	2.9
177.06990	1.1
181.12207	17.8
191.10721	1.1
195.11743	1.0
209.11694	2.7
227.12752	100.0
228.13101	3.0
240.07773	2.4
268.07236	1.0
283.02551	1.0
283.09793	5.9
283.15167	29.9
283.20670	5.5
284.15906	1.4
284.21863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.169
Annotation	Androsta-1,4,6-triene-3,17-dione
Peak:m/z	Relative Intensity
50.45693	0.4
53.74226	0.3
55.01865	0.7
55.05489	1.2
57.03410	0.4
57.29900	0.4
67.05496	2.3
69.03395	0.6
69.07057	1.4
71.04980	0.8
78.68095	0.4
79.05489	2.9
81.07049	4.1
82.82372	0.4
83.04962	0.6
85.06508	0.6
87.32426	0.4
89.53367	0.3
91.05460	4.8
93.07032	3.9
95.04980	2.1
95.08595	2.2
97.06492	0.9
97.34940	0.4
98.22698	1.8
98.23425	2.0
99.04413	0.6
103.49709	0.4
105.03373	0.5
105.07027	5.0
107.04943	0.7
107.08581	1.8
109.06502	1.9
109.10121	0.6
109.99194	0.4
115.05432	0.7
117.06996	2.5
119.08562	3.6
121.02814	0.4
121.06524	1.3
121.10123	1.1
123.04424	0.5
123.08043	1.1
128.06245	2.0
129.06985	2.3
130.07764	0.8
131.08578	3.6
133.06526	0.6
133.10088	1.5
135.04424	0.5
135.08044	0.5
137.05963	1.3
141.06996	2.2
142.07751	1.4
143.08553	7.4
145.06471	1.2
145.10109	5.3
147.08046	1.9
147.11655	1.6
149.09602	0.4
153.06958	1.0
155.08528	5.1
156.09309	0.7
157.06361	0.4
157.10133	2.9
158.07315	0.7
159.08037	1.8
159.11662	2.0
161.09590	1.4
161.13292	0.6
165.06989	1.7
166.07751	1.3
167.08533	3.0
168.09328	0.7
169.10120	3.6
171.08029	4.1
171.11694	1.4
173.09602	3.2
178.07735	0.9
179.08511	2.8
180.09288	2.5
181.06496	1.0
181.10098	6.2
182.10843	2.1
183.08032	1.3
183.11646	4.7
184.12241	0.6
185.09537	1.3
185.13231	2.5
187.11189	0.9
189.09076	3.1
191.08603	0.7
192.09357	0.5
193.10089	4.9
194.10809	1.1
195.08047	2.4
195.11661	9.7
196.08795	0.5
196.12363	1.2
197.09619	4.0
197.13251	5.2
198.10358	0.8
198.13907	0.6
199.11171	3.0
199.14749	1.3
201.12766	0.9
203.08513	0.7
205.10114	3.9
206.10870	0.7
207.08228	0.5
207.11684	4.2
208.08806	1.0
208.12433	1.3
209.09633	2.4
209.13228	4.6
210.10318	1.8
210.13930	2.3
211.11172	2.9
211.14813	2.5
212.11942	1.2
213.12666	3.3
213.16280	0.5
214.13338	0.5
217.10049	1.7
219.11699	1.1
221.09657	1.3
221.13284	2.1
222.13969	1.6
223.11176	6.6
223.14653	2.3
224.11792	0.8
225.12724	9.1
225.16136	0.4
226.13411	1.2
227.10649	1.1
227.14261	0.9
231.11462	0.5
232.12337	2.6
235.11148	2.7
235.14766	1.9
236.11911	1.0
237.12685	1.5
237.16330	6.2
239.14316	3.4
240.15068	0.5
241.12250	0.8
241.15813	1.5
247.14822	3.9
249.12656	0.6
250.13481	4.3
251.14130	0.8
253.12375	0.9
253.15845	0.5
255.17360	2.7
265.15860	14.3
265.19064	0.7
266.16309	0.9
268.14459	2.2
283.16901	100.0
283.20367	5.6
284.17270	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	284.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01863	9.3
57.03430	6.2
60.04511	1.7
61.02923	7.8
62.90488	0.9
68.99782	2.5
69.03426	38.7
70.85429	1.7
71.04993	5.5
73.02911	12.0
73.04475	0.8
73.27514	0.9
81.03413	30.6
81.07056	1.7
83.01356	0.9
83.04954	1.0
85.02899	100.0
87.00823	45.3
87.04471	1.6
91.03945	4.0
91.05479	1.2
93.07023	1.4
97.02888	58.7
98.06034	1.0
99.04449	19.0
105.01864	61.6
105.06982	1.2
108.04476	11.5
109.02873	31.0
115.03964	1.6
117.01821	4.1
126.05489	4.5
127.03909	97.3
128.04253	1.6
129.01834	3.9
134.09250	0.8
145.04950	72.9
146.10413	1.0
147.02898	4.2
159.02869	30.8
164.11494	1.2
176.33279	0.9
177.03976	2.2
189.03998	1.4
189.47748	0.9
193.12190	1.1
211.13431	1.0
213.03981	3.2
230.06581	4.8
231.04970	25.6
248.07703	4.7
249.06053	8.9
284.09735	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01863	9.3
57.03430	6.2
60.04511	1.7
61.02923	7.8
62.90488	0.9
68.99782	2.5
69.03426	38.7
70.85429	1.7
71.04993	5.5
73.02911	12.0
73.04475	0.8
73.27514	0.9
81.03413	30.6
81.07056	1.7
83.01356	0.9
83.04954	1.0
85.02899	100.0
87.00823	45.3
87.04471	1.6
91.03945	4.0
91.05479	1.2
93.07023	1.4
97.02888	58.7
98.06034	1.0
99.04449	19.0
105.01864	61.6
105.06982	1.2
108.04476	11.5
109.02873	31.0
115.03964	1.6
117.01821	4.1
126.05489	4.5
127.03909	97.3
128.04253	1.6
129.01834	3.9
134.09250	0.8
145.04950	72.9
146.10413	1.0
147.02898	4.2
159.02869	30.8
164.11494	1.2
176.33279	0.9
177.03976	2.2
189.03998	1.4
189.47748	0.9
193.12190	1.1
211.13431	1.0
213.03981	3.2
230.06581	4.8
231.04970	25.6
248.07703	4.7
249.06053	8.9
284.09735	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04995	1.0
53.03939	6.5
55.01865	9.7
55.05497	1.3
57.03428	7.2
60.04529	2.0
61.02923	7.2
67.05496	1.8
67.71277	1.1
68.99776	2.6
69.03422	37.0
69.03799	2.4
69.07072	1.9
70.06583	74.9
71.04990	6.1
71.42883	1.3
73.02909	12.4
78.10365	1.2
79.05480	1.7
81.03408	36.2
81.07043	2.1
82.14632	1.1
83.01335	1.9
85.02894	100.0
85.06530	5.3
87.00819	41.9
87.04446	1.6
91.03947	3.5
93.07019	2.1
95.04948	2.0
95.08574	3.4
97.02882	57.5
97.06496	1.4
98.06042	2.4
99.04445	19.7
105.01855	62.4
105.07064	1.9
108.04449	9.6
109.02863	33.9
112.07588	50.2
117.01814	3.4
119.08546	2.2
122.03175	2.7
126.05488	5.1
127.03899	89.8
129.01820	3.9
140.07053	16.8
142.65399	1.3
145.04939	67.7
147.02895	3.7
154.12317	1.4
158.08136	2.6
159.02864	24.3
165.07004	1.8
189.03975	1.1
193.06525	1.5
210.06784	2.1
213.03885	2.9
221.05956	1.3
225.09129	2.2
231.04950	24.8
248.07666	3.7
249.06052	5.2
252.07364	3.3
253.08369	2.4
284.10001	2.5
284.29422	2.1
285.11237	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	285.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
55.05503	1.5
57.03432	5.0
65.03925	1.3
67.05494	2.3
69.36930	3.8
70.06570	2.9
71.06906	1.1
75.04453	2.2
78.04697	1.4
79.05488	6.8
81.03407	2.7
81.07059	1.9
83.08646	1.3
85.06516	1.5
91.05469	21.3
93.07044	2.3
95.04951	3.1
95.08598	1.2
97.06536	1.2
98.23464	1.7
100.11250	4.3
103.05447	4.8
105.03396	3.6
105.04460	1.0
105.07019	19.6
106.04174	2.6
107.04948	12.1
108.05718	2.8
109.06518	5.0
112.07630	1.7
115.05426	4.3
118.04163	2.9
119.04929	23.0
121.06495	10.6
122.07268	2.0
123.04433	1.9
123.08111	2.8
125.02317	1.8
125.05980	3.4
131.04893	1.0
133.06487	19.6
134.03633	3.7
135.04422	6.9
135.08020	1.4
136.05191	5.7
137.05943	2.5
138.03090	1.3
140.04662	10.8
143.05992	1.6
146.03598	1.4
147.04413	5.2
149.05956	18.1
150.05486	2.0
150.06651	1.3
151.07524	14.4
153.01984	1.9
153.05447	100.0
154.06006	1.2
161.05962	34.7
165.05489	2.3
165.06952	2.4
166.06197	1.1
167.07022	16.1
168.07797	75.8
169.08157	2.4
177.05417	2.6
178.06215	1.0
179.06985	9.5
180.07709	1.0
181.08623	4.0
182.09264	2.1
187.98520	0.9
193.06705	2.2
193.08568	33.1
193.12285	1.1
196.07283	75.9
197.07683	1.9
209.08017	6.4
210.06833	1.6
210.08725	1.1
211.09619	50.1
212.09898	1.2
221.05893	1.6
222.51952	0.9
225.03665	1.4
225.09128	2.3
253.08487	3.3
285.10788	4.6
285.23990	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	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51270	1.1
53.39794	1.1
55.01862	2.3
55.05512	1.2
57.03424	6.2
58.36518	1.0
61.00761	1.0
65.03942	1.5
65.14287	1.0
65.75944	1.1
66.27514	1.2
67.05498	3.1
67.73923	1.1
69.03407	2.6
69.07040	1.3
69.88888	3.1
70.06573	5.0
71.06922	2.7
75.04455	1.6
77.03925	1.3
78.04726	1.9
79.05508	6.4
79.05898	0.9
81.03420	4.0
81.07056	2.7
85.02873	1.4
85.06535	4.4
91.05477	19.0
93.03419	1.4
93.07030	3.7
95.04965	3.9
95.08582	1.6
97.02900	1.5
99.04484	1.4
100.11237	1.5
103.05441	4.4
105.03386	3.1
105.07022	20.8
106.04175	2.9
107.04942	11.2
108.05765	1.8
109.06503	5.5
111.04440	1.2
111.08067	1.3
112.07586	3.1
113.07959	1.6
115.05444	4.6
118.04121	2.6
119.04939	21.9
119.08537	2.2
121.06506	11.5
122.07228	1.5
123.04414	1.7
123.08064	3.4
125.05995	2.0
131.04942	1.2
133.06493	17.3
134.03624	4.2
135.04407	8.4
135.08064	1.1
136.05199	6.9
137.05997	2.6
138.03065	1.6
140.04659	9.4
145.10091	1.3
146.03569	1.2
147.04373	6.0
149.05952	14.6
150.06738	1.6
151.07533	16.0
153.05453	100.0
156.39340	1.1
157.10178	1.7
161.04694	2.4
161.05966	34.8
165.05524	1.5
165.06947	2.3
167.07053	17.2
167.08365	2.1
168.07814	78.0
169.08162	1.6
175.11086	1.4
177.05452	2.3
178.06215	3.0
179.07076	9.5
181.08551	3.9
193.06688	1.5
193.08601	30.2
196.07298	64.4
209.08092	6.6
210.06810	1.9
210.08760	1.4
211.09633	47.2
221.06004	1.9
224.08545	1.4
225.08875	2.2
227.14346	1.3
227.73615	1.2
253.08768	5.8
267.17493	2.1
285.11246	5.7
285.15363	1.4
285.18484	5.2
286.11597	1.1
303.05054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95720	0.6
53.03940	2.7
55.01864	2.6
55.05499	1.6
57.03436	7.3
59.38515	0.5
61.02634	1.0
61.02925	12.5
67.05499	2.0
69.03063	1.3
69.03425	19.4
69.07049	1.2
70.15906	1.5
71.04979	2.1
73.02920	3.8
79.05498	3.9
81.03410	12.5
81.05350	0.7
81.06406	0.5
81.07051	3.6
83.01328	0.7
83.04963	1.1
83.08621	1.2
85.02899	100.0
85.06534	2.0
86.03218	0.8
87.04456	2.6
91.03951	4.7
91.05493	3.2
93.07034	2.4
95.04956	1.9
95.08593	1.7
97.02251	1.1
97.02890	22.4
97.06523	0.9
99.04459	4.0
101.02377	1.5
103.03908	1.0
103.05480	1.3
105.05534	0.7
105.07026	10.5
107.08556	0.8
109.02874	8.4
109.06500	0.7
111.08112	1.2
115.03880	1.2
115.05450	1.4
117.07029	3.7
119.07745	0.9
119.08564	6.4
121.10146	1.3
123.08052	1.0
127.03908	17.8
128.06221	1.5
129.07014	4.9
131.04900	0.7
131.08557	1.7
133.06500	1.9
133.10130	1.0
137.05994	1.6
141.06973	1.6
143.08507	3.2
145.04947	21.5
145.06569	1.4
145.10167	0.9
146.03667	1.3
147.08049	2.4
147.11653	0.9
149.05997	0.8
152.06161	0.9
153.07016	2.1
154.07748	0.6
155.08578	1.4
157.06403	0.7
157.10123	0.7
159.08054	1.0
161.05940	3.9
163.06000	2.6
164.04359	0.6
165.06982	6.0
167.08514	1.4
169.06477	1.2
171.08080	2.3
173.09610	1.0
175.07518	1.4
175.11160	0.9
179.08582	0.8
181.06421	2.9
182.07275	2.1
183.07965	0.7
189.09023	0.8
193.06444	2.9
193.12256	2.1
195.07983	0.8
196.08810	1.0
197.09502	0.9
199.07582	2.8
201.09070	1.1
209.05954	0.9
210.06746	2.7
211.07510	1.6
221.05954	4.8
224.08316	1.5
225.09079	5.9
227.06911	1.3
228.81691	0.8
231.10217	0.8
237.05420	0.7
238.06210	1.3
239.10631	1.3
244.11597	0.6
253.08559	7.4
255.06471	1.2
267.10272	2.3
270.08804	1.0
285.11157	12.0
285.14496	1.0
285.18414	1.7
285.21631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95720	0.6
53.03940	2.7
55.01864	2.6
55.05499	1.6
57.03436	7.3
59.38515	0.5
61.02634	1.0
61.02925	12.5
67.05499	2.0
69.03063	1.3
69.03425	19.4
69.07049	1.2
70.15906	1.5
71.04979	2.1
73.02920	3.8
79.05498	3.9
81.03410	12.5
81.05350	0.7
81.06406	0.5
81.07051	3.6
83.01328	0.7
83.04963	1.1
83.08621	1.2
85.02899	100.0
85.06534	2.0
86.03218	0.8
87.04456	2.6
91.03951	4.7
91.05493	3.2
93.07034	2.4
95.04956	1.9
95.08593	1.7
97.02251	1.1
97.02890	22.4
97.06523	0.9
99.04459	4.0
101.02377	1.5
103.03908	1.0
103.05480	1.3
105.05534	0.7
105.07026	10.5
107.08556	0.8
109.02874	8.4
109.06500	0.7
111.08112	1.2
115.03880	1.2
115.05450	1.4
117.07029	3.7
119.07745	0.9
119.08564	6.4
121.10146	1.3
123.08052	1.0
127.03908	17.8
128.06221	1.5
129.07014	4.9
131.04900	0.7
131.08557	1.7
133.06500	1.9
133.10130	1.0
137.05994	1.6
141.06973	1.6
143.08507	3.2
145.04947	21.5
145.06569	1.4
145.10167	0.9
146.03667	1.3
147.08049	2.4
147.11653	0.9
149.05997	0.8
152.06161	0.9
153.07016	2.1
154.07748	0.6
155.08578	1.4
157.06403	0.7
157.10123	0.7
159.08054	1.0
161.05940	3.9
163.06000	2.6
164.04359	0.6
165.06982	6.0
167.08514	1.4
169.06477	1.2
171.08080	2.3
173.09610	1.0
175.07518	1.4
175.11160	0.9
179.08582	0.8
181.06421	2.9
182.07275	2.1
183.07965	0.7
189.09023	0.8
193.06444	2.9
193.12256	2.1
195.07983	0.8
196.08810	1.0
197.09502	0.9
199.07582	2.8
201.09070	1.1
209.05954	0.9
210.06746	2.7
211.07510	1.6
221.05954	4.8
224.08316	1.5
225.09079	5.9
227.06911	1.3
228.81691	0.8
231.10217	0.8
237.05420	0.7
238.06210	1.3
239.10631	1.3
244.11597	0.6
253.08559	7.4
255.06471	1.2
267.10272	2.3
270.08804	1.0
285.11157	12.0
285.14496	1.0
285.18414	1.7
285.21631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79928	1.6
53.03935	3.3
55.01855	5.2
55.05509	29.4
57.03435	58.3
57.07058	4.6
57.09662	1.5
57.33060	1.7
59.32487	1.7
60.08142	4.1
65.03919	1.6
67.05174	3.1
67.05502	46.0
69.03414	4.7
69.07057	10.5
71.04998	12.4
77.03914	1.7
79.05489	39.4
81.03413	92.8
81.07052	61.8
83.04971	22.6
83.08613	40.9
84.02379	1.5
85.02899	92.0
85.06518	4.4
87.04442	2.0
91.05472	51.1
93.07037	33.1
95.04961	46.8
95.08605	22.2
96.08940	1.8
97.02874	4.5
97.06531	8.4
97.10165	3.1
99.08134	1.9
105.07022	44.9
107.04971	8.8
107.08583	13.1
109.06519	9.1
109.10123	6.1
111.04402	4.8
111.08080	23.8
113.06000	6.0
115.05418	2.3
117.06973	2.1
119.07756	2.6
119.08569	33.0
121.06493	2.2
121.10133	18.3
123.08038	4.6
123.11674	5.1
129.06989	15.7
131.08563	20.9
133.06494	3.1
133.10097	17.6
137.09592	2.4
142.07759	4.5
145.10062	4.4
147.08006	6.1
147.11674	28.9
149.09618	12.6
157.10121	26.0
163.11186	3.3
165.12715	7.9
175.11183	29.8
192.99533	1.5
193.12227	100.0
194.12582	2.7
195.92210	1.9
209.26419	1.7
211.13280	73.8
212.13600	2.8
282.99820	1.6
284.30325	1.9
284.33084	10.9
285.16904	66.3
285.22015	3.4
285.33304	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11172	1.1
53.03932	2.4
55.01847	4.3
55.05260	2.2
55.05506	32.6
57.03433	53.7
57.07066	3.0
59.04974	2.4
60.08147	4.1
60.37239	1.3
60.93142	1.1
63.01615	1.1
65.03921	1.7
66.92243	1.2
67.05498	43.2
69.03416	7.9
69.07058	12.1
69.72712	4.6
71.04989	13.7
71.08650	1.4
75.02984	1.2
79.05042	2.4
79.05486	41.9
81.03410	87.7
81.07049	59.1
82.03738	2.0
83.04978	21.6
83.08613	37.5
85.02896	100.0
85.06532	4.0
87.04430	2.2
91.05469	51.7
93.07040	28.2
95.04960	43.6
95.08591	23.0
97.02886	5.3
97.06534	9.1
97.10136	5.1
99.08052	1.4
105.04528	1.8
105.06347	2.5
105.07022	37.8
107.04923	5.6
107.08589	12.3
109.06501	9.1
109.10142	7.0
109.98287	1.5
111.04429	4.6
111.08078	21.9
113.06006	9.1
115.05405	2.0
117.07016	2.4
119.08562	31.7
121.06486	2.8
121.10139	16.8
123.08046	4.2
123.11682	3.2
123.36153	1.1
125.09593	1.8
128.06201	2.0
129.07004	15.5
131.08551	15.4
133.06487	4.7
133.10109	16.1
137.09584	2.4
138.41293	1.2
142.07765	4.9
145.10080	1.8
147.08022	5.6
147.11665	25.9
149.09604	10.9
157.10098	23.1
164.72891	1.2
165.12700	6.5
175.11174	23.5
185.23643	1.2
193.12215	93.5
194.12576	2.4
211.13274	72.3
212.13673	2.5
248.43208	1.2
284.33057	10.0
285.16922	58.5
285.22028	2.8
285.30206	1.2
285.33356	8.2
286.17303	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70650	1.9
53.03926	2.9
55.01865	6.4
55.05511	28.4
55.69415	2.1
57.02980	2.3
57.03436	58.9
57.07082	3.1
58.06598	2.2
67.05499	42.2
69.03422	8.2
69.07069	14.3
69.66219	3.2
69.66589	4.8
71.04989	14.6
79.05489	42.2
81.03416	94.2
81.03896	5.3
81.07054	57.4
83.04979	23.8
83.08607	37.0
85.02405	4.9
85.02903	92.2
91.05479	54.2
93.07035	25.6
95.04961	46.0
95.08593	22.0
97.02882	4.9
97.06537	4.9
97.10193	3.2
98.23386	3.9
105.04535	2.5
105.07024	44.3
107.04944	7.7
107.08603	14.6
109.06516	9.8
109.10137	6.3
111.04440	3.8
111.08077	32.2
113.05991	7.0
117.07051	3.3
119.08577	32.1
121.06493	3.8
121.10146	16.9
123.08067	4.4
123.11698	5.4
127.07479	2.5
129.06999	19.6
131.08560	17.7
133.06520	4.0
133.10120	19.0
137.09642	3.7
142.07800	3.5
147.08043	4.4
147.11690	29.9
149.09604	10.1
157.10120	25.6
165.12778	8.5
175.11177	31.9
180.57803	2.2
193.12238	100.0
211.13274	69.3
212.13776	3.2
284.33118	7.6
285.13739	4.4
285.16940	78.9
285.33444	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	30.9
57.03144	3.5
57.03432	58.0
60.08157	5.8
67.05499	39.8
69.03410	6.1
69.07076	16.5
71.04971	10.4
79.05050	4.6
79.05486	46.7
81.03411	97.7
81.07046	62.4
83.04978	23.9
83.08601	33.4
85.02895	100.0
91.05474	57.6
93.07035	32.7
95.04961	43.0
95.08589	23.6
97.02921	7.0
97.06550	4.9
105.07024	44.8
107.04939	7.6
107.08605	15.6
109.06496	12.7
109.10138	6.4
111.04424	3.5
111.08071	23.9
111.18404	2.8
113.06004	5.1
113.40361	3.0
115.05432	3.7
117.06973	4.1
119.08578	28.1
121.06523	5.4
121.10135	23.6
123.08085	5.8
123.11698	5.3
129.06981	14.5
131.08557	22.0
133.06517	6.1
133.10109	18.6
137.09592	4.2
142.07715	4.7
147.07962	3.5
147.11673	26.0
149.09604	13.3
157.10153	21.4
162.72879	3.4
165.12762	10.4
175.11189	26.8
193.12230	96.3
196.32809	3.3
211.13277	65.3
229.13737	3.3
284.33118	9.4
285.16913	58.1
285.33325	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01871	3.8
55.05505	33.9
55.46617	2.3
57.03429	73.1
58.03763	2.4
59.04992	4.2
60.63441	2.5
63.42982	2.3
65.03953	2.6
67.05496	65.6
69.03405	12.6
69.07066	19.4
69.07381	3.3
70.49541	2.6
71.04987	14.0
77.03960	2.6
79.05482	52.6
81.03405	100.0
81.07047	69.2
81.07501	5.4
82.03738	2.7
83.04965	29.2
83.08605	44.0
85.02895	100.0
85.03419	5.5
85.06561	4.0
87.04502	2.6
91.05471	67.8
93.07027	41.5
95.04344	3.9
95.04950	59.6
95.08594	29.4
97.02895	6.7
97.06521	9.8
97.10175	5.7
99.33851	2.2
105.07019	60.8
107.04948	10.3
107.08580	23.8
109.06511	14.5
109.10141	9.6
110.34380	2.4
111.04440	5.0
111.08076	22.8
113.05984	7.4
117.07042	4.3
119.08566	36.2
121.06474	3.3
121.10141	18.7
123.08076	11.5
123.11720	7.4
125.06966	2.4
125.09606	4.8
128.61586	2.6
129.06969	17.9
131.08553	19.7
133.06496	4.5
133.10123	26.9
135.08032	6.8
135.11638	5.8
137.05984	2.8
137.09589	6.2
142.07758	3.6
145.10135	4.6
147.08069	4.1
147.11667	40.0
149.09572	13.7
151.11188	7.0
155.08539	4.8
157.10114	24.3
163.11179	3.0
165.12773	9.9
169.10022	2.7
171.11598	3.1
175.11163	31.7
193.12221	98.5
193.13977	5.6
194.12515	4.1
195.45389	2.7
202.25494	2.6
211.13263	79.9
217.15659	3.9
225.09222	2.8
253.08571	3.5
285.12003	7.2
285.16806	60.4
285.21979	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01857	4.2
55.05260	1.6
55.05505	26.0
57.03430	56.5
57.07055	2.1
59.04974	2.4
60.08136	4.0
65.03928	1.0
67.05496	37.6
69.03410	5.9
69.07057	10.9
71.01331	1.5
71.04980	10.8
79.05482	35.7
80.06837	1.0
81.03408	90.0
81.07047	50.8
83.04974	19.3
83.08122	2.1
83.08610	38.9
85.02895	91.6
85.06512	3.3
87.04476	1.6
91.05468	42.3
93.07033	26.5
95.04955	45.0
95.08030	1.3
95.08596	21.2
97.02870	4.6
97.06502	6.5
97.10137	3.5
98.23473	3.1
99.04438	1.3
99.08056	2.7
105.04514	1.8
105.06351	2.1
105.07014	34.6
107.04949	8.5
107.08591	11.4
109.06512	8.5
109.10127	4.6
111.04423	3.7
111.08080	21.0
113.05988	7.2
113.54449	1.0
115.05415	2.6
117.07040	2.0
119.08567	29.9
121.06489	1.8
121.10130	19.3
123.08049	3.7
123.11670	4.5
125.09571	2.4
127.07567	1.3
128.06200	1.3
129.06995	14.6
131.08545	17.5
132.68625	1.1
133.06461	4.1
133.10110	14.8
135.08064	1.0
137.09575	2.6
142.07729	3.6
147.08041	4.1
147.11676	24.3
149.09607	9.6
157.10109	24.0
163.11139	1.5
165.12735	6.3
170.66351	1.2
175.11156	27.9
176.11526	1.5
183.13702	1.7
192.88615	1.0
193.12213	100.0
194.12541	2.5
211.13261	72.2
212.13634	1.8
249.41542	1.2
267.15851	1.7
284.33060	9.5
285.16907	60.2
285.22162	3.4
285.30164	1.3
285.33270	6.0
286.17337	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01866	6.3
55.05255	2.0
55.05507	27.3
57.03433	54.4
57.07076	1.3
67.05502	37.0
67.05859	2.0
69.03419	6.4
69.07064	8.9
71.04987	13.3
78.97369	1.1
79.05044	2.0
79.05486	33.4
81.03411	98.7
81.07051	45.8
83.04977	17.7
83.08610	37.4
85.02898	92.3
85.06526	5.1
85.66466	1.0
86.03186	1.6
91.05473	42.6
93.07035	24.6
95.04963	43.9
95.08600	19.3
97.02879	4.9
97.06549	7.3
97.10159	4.4
99.08101	1.6
105.04511	1.1
105.06345	2.1
105.07020	32.7
107.04941	7.4
107.08585	10.6
109.06499	8.5
109.10117	6.6
111.04420	4.2
111.07345	1.3
111.08070	20.4
112.08348	1.8
113.05994	7.7
115.05455	2.8
117.06947	1.7
119.08567	28.7
121.06467	1.2
121.10142	16.0
123.08053	3.8
123.11700	3.9
125.09669	1.7
129.06998	12.6
131.08568	13.1
133.06480	3.8
133.10103	11.9
135.11671	1.5
137.09587	2.1
142.07735	3.6
145.10072	1.9
147.08023	4.4
147.10583	1.9
147.11684	26.2
149.09608	10.6
157.08859	1.7
157.10110	26.1
160.09610	1.3
163.11165	1.3
165.12769	5.7
174.61572	1.1
175.11179	28.2
193.12221	100.0
194.12534	3.2
199.14584	1.2
211.13269	77.2
212.13594	3.4
229.68092	1.1
253.08578	1.4
256.44052	1.1
285.16916	59.3
286.17236	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01869	3.8
55.05505	34.3
57.03434	51.8
67.02675	1.7
67.05503	38.6
68.05827	2.0
69.03424	6.8
69.07064	16.1
70.07340	1.6
71.04991	14.1
79.05490	37.4
81.03413	80.7
81.06568	2.3
81.07050	69.2
83.04979	20.9
83.08617	38.3
85.02901	89.5
85.06541	6.4
87.83670	1.9
91.05476	46.2
93.07053	26.2
95.04963	37.8
95.08601	25.0
97.02869	4.1
97.06517	9.3
97.10169	5.1
98.23456	3.3
99.08091	2.5
105.07021	40.0
107.04961	6.8
107.08583	12.5
109.06514	12.0
109.10175	5.4
111.04456	4.6
111.08084	18.1
113.06020	6.6
115.05414	2.0
117.07032	2.3
119.08572	33.9
121.10133	22.6
123.08060	4.9
123.11707	11.1
129.07001	14.0
131.08554	14.9
133.06493	4.6
133.10136	16.7
135.11707	2.3
142.07744	3.6
145.10104	5.8
147.08061	3.8
147.11670	41.4
149.09604	7.5
157.10106	18.9
165.12750	18.5
172.13734	1.9
175.11188	26.0
190.24570	1.6
193.06435	2.1
193.12233	100.0
199.14780	3.0
211.13261	64.5
212.13634	1.9
221.06017	2.0
225.09119	2.0
253.08633	4.2
277.33359	1.7
285.16821	56.6
285.22104	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
54.56995	0.7
55.01873	4.1
55.05508	31.5
55.05777	2.1
57.03433	58.7
57.07058	1.3
59.04980	1.3
64.38811	0.8
65.03924	2.8
66.89962	0.7
67.05499	42.2
67.25652	0.7
69.03432	5.7
69.07063	11.6
69.33829	3.2
71.04987	11.4
73.02894	0.8
77.03927	1.8
79.05486	39.5
79.05946	1.9
81.03410	95.3
81.07048	48.3
82.03737	1.3
83.04972	23.0
83.08613	36.3
85.02897	100.0
85.06533	3.9
86.03226	1.0
87.04457	1.5
91.05473	46.0
91.53823	0.8
93.07036	23.5
94.07336	1.2
94.10119	0.8
95.04961	43.3
95.08595	17.9
96.76803	0.9
97.02880	4.7
97.06530	7.0
97.10159	4.9
99.04458	1.5
99.08086	2.1
105.07019	34.2
107.04951	6.8
107.08014	1.0
107.08601	9.8
109.06515	7.6
109.10159	6.3
111.04427	5.5
111.08067	22.6
113.05999	7.2
115.05415	1.7
117.06979	2.0
119.04933	1.0
119.08566	31.5
120.08919	1.3
121.06473	1.4
121.10128	16.2
123.08060	4.1
123.11708	3.8
125.09663	1.0
129.06998	14.3
130.43686	0.8
131.08548	16.6
133.06499	4.0
133.10104	12.9
137.09593	2.6
142.07751	4.0
145.10078	1.4
147.08034	2.8
147.11674	24.7
149.09596	9.6
151.11180	1.2
157.08832	1.7
157.10107	22.5
158.10471	0.9
160.04709	0.8
163.11142	1.0
165.12741	5.4
175.11166	27.5
180.60127	0.8
181.32103	0.8
183.13788	1.0
192.68990	0.9
193.12225	97.5
194.12643	4.0
211.13271	77.1
212.13580	2.6
218.89409	0.8
249.14998	0.9
285.16919	57.0
286.17282	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01861	5.7
55.05254	2.1
55.05505	29.6
57.03430	56.3
59.04972	1.4
60.99240	1.3
67.05495	39.8
69.03415	7.4
69.07056	10.1
69.32671	2.6
69.33073	4.4
71.04983	14.7
71.93121	1.1
77.03902	1.5
79.05045	1.8
79.05486	33.7
81.03409	87.3
81.06561	2.6
81.07045	51.2
82.03735	1.7
83.04971	20.6
83.08120	1.9
83.08610	34.9
85.02895	100.0
85.06513	4.4
85.38777	1.1
87.04404	1.2
91.05467	45.9
93.07029	26.4
95.04959	45.6
95.08591	19.7
95.60851	1.4
96.05274	1.3
97.02891	3.6
97.06547	6.3
97.10145	4.2
98.22625	1.5
99.08093	1.5
105.07019	41.7
107.04929	7.9
107.08580	10.4
109.06517	8.3
109.10152	4.5
111.04417	7.1
111.08059	21.9
113.05984	5.7
115.05405	1.4
117.07031	1.9
119.04955	1.4
119.08569	30.7
119.46584	1.3
121.06505	1.9
121.10139	18.0
123.08073	5.7
123.11687	2.5
125.09646	2.2
129.06989	16.1
131.08560	16.3
133.06470	5.8
133.10135	14.9
137.09589	2.6
142.07756	2.1
145.10109	1.7
147.08009	3.7
147.11667	25.9
149.09610	8.4
155.08495	1.4
157.10117	20.3
165.12717	5.5
175.11165	27.0
193.12218	90.7
194.12532	2.8
211.13272	70.5
212.13628	2.3
270.77817	1.3
285.16928	54.5
286.17282	1.9
309.79218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01875	4.2
55.05506	11.9
57.03434	26.2
57.07065	1.3
57.25167	0.6
59.04996	1.4
61.02917	6.9
65.03918	1.2
67.05499	18.2
69.03423	15.3
69.07056	3.7
69.09248	5.0
70.40478	0.6
71.01722	0.6
71.04990	5.8
72.51358	0.7
73.02907	2.9
75.53386	0.7
77.03912	0.7
79.05490	18.8
81.03410	44.5
81.07050	20.8
83.01311	0.8
83.04972	8.4
83.08616	15.8
85.02897	100.0
85.06529	8.9
86.03226	1.1
87.04464	1.7
91.03947	4.0
91.05475	21.1
93.07028	11.8
95.04966	19.3
95.08597	8.8
97.02886	15.9
97.06543	3.1
97.10189	1.3
98.22705	1.4
99.04443	3.0
99.08073	0.8
103.03914	0.6
103.05469	1.1
105.07024	18.7
107.04969	3.4
107.08586	5.7
109.02888	4.7
109.06521	2.8
109.10168	2.1
111.04420	1.7
111.08073	6.6
113.06023	2.7
115.05455	1.1
117.06985	3.1
119.08569	16.4
121.06535	0.7
121.10136	6.5
123.08047	2.2
123.11664	1.5
125.06014	0.7
127.03911	13.1
128.06198	1.2
129.06990	8.3
131.08546	7.1
133.06487	2.7
133.10139	7.2
136.64070	0.6
137.09636	1.2
141.06972	0.9
141.09132	1.0
142.07756	1.9
143.08578	1.5
145.04947	15.2
145.06143	1.0
145.06570	0.6
145.10118	1.8
147.08008	3.9
147.11673	11.6
149.09589	4.3
153.01807	1.7
153.06993	0.8
155.08627	0.9
157.10129	9.6
161.05940	2.0
161.09669	0.7
163.06029	1.7
165.07028	2.6
165.12752	2.2
167.08522	0.9
171.07970	0.9
175.07570	0.9
175.11185	12.0
176.11470	0.7
177.01181	0.7
181.47194	0.7
182.07269	0.8
185.09650	1.3
193.06477	1.5
193.12222	33.8
194.12589	1.8
210.06693	1.4
211.07489	0.9
211.13249	21.2
213.09103	1.3
219.10197	1.7
221.06023	1.5
225.09134	2.1
229.14317	0.8
231.10112	0.7
239.10503	0.7
244.26427	0.6
253.08566	3.3
267.16000	1.8
285.11209	2.9
285.16953	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
53.96278	1.9
55.01873	4.4
55.05506	23.7
56.39677	1.9
57.03434	58.3
57.07064	2.1
65.03944	2.5
67.05502	42.5
69.03425	8.3
69.07050	10.9
69.22665	11.8
69.81225	1.8
70.06583	2.8
71.05001	11.1
73.26485	1.8
79.05488	36.7
81.03412	100.0
81.07054	51.9
81.07506	1.1
83.04980	19.3
83.08614	34.6
83.63808	1.8
85.02900	78.2
85.06522	2.7
91.05470	56.0
93.07038	30.5
95.04965	43.0
95.08603	20.8
97.02884	6.4
97.06523	8.6
97.10167	4.7
105.07024	37.1
107.04959	10.1
107.08575	14.6
109.06527	9.5
109.10168	7.5
111.04427	5.8
111.08068	17.0
113.05995	8.3
115.05444	3.3
117.06985	3.7
119.08568	34.5
121.06515	3.0
121.10147	17.2
123.08076	4.9
123.11659	4.1
125.09670	2.9
127.07555	3.8
129.07011	17.3
131.08580	16.1
133.06450	5.7
133.10117	16.3
137.06044	2.3
137.09583	3.9
142.07762	5.5
143.08565	2.8
145.06531	2.4
145.10114	4.4
146.03651	2.2
147.08070	6.3
147.11673	25.8
149.09602	11.5
153.01839	4.3
153.07106	2.6
155.08568	2.4
157.10110	21.3
161.05962	9.5
161.09683	1.9
165.06978	14.7
165.12746	4.1
166.07654	1.7
173.09647	2.3
175.11168	25.6
178.07736	2.1
179.08513	2.3
181.06398	2.8
182.07297	6.4
187.83762	1.9
193.06488	9.2
193.12236	86.1
194.12639	2.6
195.08110	2.5
197.09634	2.7
199.07578	2.8
209.05986	2.2
210.06706	9.0
211.07332	2.0
211.13281	57.7
221.05978	15.3
224.08368	2.7
225.09048	18.1
238.06381	3.8
239.07076	2.3
239.18018	2.0
250.17738	2.1
252.07790	2.3
253.08572	22.0
254.09042	4.4
255.06400	2.5
267.10114	4.5
267.15869	5.0
270.08847	4.2
285.11212	40.4
285.16599	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01870	2.8
55.05509	17.0
57.03434	25.0
58.56079	1.1
59.05024	1.6
67.05155	1.9
67.05499	19.2
69.03429	4.0
69.07065	5.8
69.40585	5.2
71.04983	5.1
73.00378	1.2
79.05486	21.7
81.03413	100.0
81.07053	25.7
83.04967	10.0
83.08124	1.6
83.08614	30.0
85.02900	42.3
85.06519	1.9
88.14717	1.1
91.05476	27.7
93.07042	17.2
95.04964	35.6
95.08588	11.0
97.02896	3.4
97.06538	5.4
97.10157	3.5
99.04402	1.5
105.07025	22.1
107.04953	6.2
107.05577	1.2
107.08570	8.1
109.06521	7.2
109.10136	4.1
111.04430	2.6
111.08066	13.2
113.06001	4.1
117.07014	1.9
119.04939	3.1
119.08572	21.9
121.06490	2.3
121.10138	9.7
123.08080	3.9
123.11678	2.6
125.09645	1.4
129.07007	12.6
131.08554	11.9
133.06485	3.9
133.10120	8.8
137.06012	2.6
137.09605	1.1
141.06923	1.3
142.07758	3.3
143.08562	1.3
145.10117	4.2
147.08040	4.2
147.11678	20.6
149.09604	6.1
150.05537	1.4
153.01840	2.5
153.05460	2.4
153.06937	2.2
155.08545	1.3
157.10106	15.9
159.11717	1.5
161.05989	8.2
165.06990	8.5
165.12726	5.4
168.07797	2.9
173.09581	1.2
175.11174	20.6
179.08418	1.3
181.06425	2.9
182.07294	3.1
193.06505	5.6
193.12230	71.7
194.07291	1.4
194.12596	2.0
196.07253	1.7
197.13264	1.3
199.14786	2.2
210.06779	4.6
211.07800	1.5
211.09825	2.1
211.13277	43.8
218.15492	1.3
221.05972	9.0
225.09088	11.4
227.06955	1.9
229.14288	4.3
235.07668	1.7
238.06213	2.0
248.87869	1.0
253.08575	15.0
254.09297	1.6
255.06631	1.4
267.10156	4.0
267.15973	5.9
270.08868	4.0
285.07819	2.3
285.11182	26.7
285.16650	31.9
286.11389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01858	5.0
55.05500	30.7
55.95436	2.1
57.03432	57.4
57.07081	2.0
65.03927	2.2
67.05498	46.6
68.53719	1.9
69.03414	8.4
69.07072	15.3
71.04974	11.5
76.04740	1.9
79.05483	43.4
80.05814	1.8
81.03409	100.0
81.06575	2.6
81.07049	52.6
83.04974	24.2
83.08611	34.0
84.83038	2.0
85.02895	80.4
85.06516	7.0
88.68240	1.9
91.05468	52.7
92.05829	2.4
93.07037	29.7
95.04958	50.5
95.08594	19.4
96.39099	2.3
97.02887	6.7
97.06514	9.9
97.10168	2.8
99.08061	2.2
102.85116	2.1
105.07028	45.1
107.04948	11.2
107.08570	15.8
109.06528	10.7
109.10136	7.2
111.04426	5.2
111.08063	23.7
113.05999	8.3
115.05448	2.8
117.07017	4.7
119.08559	33.7
121.06458	4.9
121.10131	16.4
123.08051	6.1
123.11672	6.3
129.06984	14.5
131.08557	20.3
133.06473	3.1
133.10117	19.8
137.05920	2.9
137.09637	2.1
141.06944	2.2
142.07738	4.9
143.08470	3.2
145.10121	7.3
146.03603	3.9
147.08055	3.4
147.11678	30.8
149.09592	10.0
153.01775	4.8
154.07727	3.0
155.08525	3.0
157.10109	27.6
161.05922	10.9
163.11166	3.2
165.06987	17.5
165.12738	5.4
173.09613	4.7
175.11172	26.0
181.06546	2.7
182.07228	5.9
189.11159	2.4
193.06435	12.8
193.12221	89.5
194.07169	2.7
194.12646	2.3
199.14789	3.0
210.06705	12.8
211.07516	2.8
211.13261	53.8
221.05945	17.1
225.09070	35.5
227.06924	3.9
238.06197	4.4
239.06934	2.9
240.52414	2.1
253.08554	52.8
254.09123	5.4
267.09952	2.6
270.08746	3.7
285.11261	40.8
285.16656	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01867	4.0
55.05507	17.5
57.03429	31.6
57.07071	1.5
59.04995	1.7
63.28264	1.2
66.75835	1.2
67.05497	26.6
69.03426	6.3
69.07050	7.2
69.39510	5.5
71.04997	6.8
77.03954	1.3
77.35130	1.1
79.05480	22.3
81.03407	100.0
81.07050	33.2
83.04970	9.5
83.08614	28.7
85.02892	50.8
85.06532	2.8
87.04420	1.4
91.05468	32.7
93.07030	16.5
93.07590	1.4
95.04960	35.6
95.08593	9.7
97.02885	4.6
97.06535	4.0
97.10167	3.1
105.07014	25.7
107.04921	7.4
107.08592	7.7
109.06511	4.0
109.10158	3.0
111.04424	3.3
111.08065	16.2
113.06010	4.4
115.05473	1.4
119.08564	23.2
119.09405	1.4
121.10130	10.3
121.21245	1.4
123.08046	2.8
123.11631	2.7
125.09643	1.7
129.06972	11.1
131.08553	12.4
133.06459	2.9
133.10115	12.4
137.06003	1.5
137.09570	2.0
142.07794	2.3
145.10069	2.3
146.03644	1.4
147.08037	3.6
147.11670	22.1
149.09605	6.8
157.10106	16.4
161.05975	2.9
165.07004	4.5
165.12752	4.9
175.11147	24.6
182.07274	2.9
193.06491	3.4
193.12212	72.8
194.12617	2.5
210.06691	3.5
211.07535	1.8
211.13258	41.6
221.05981	4.1
225.07198	1.3
225.09160	5.1
229.14394	4.0
238.06232	1.5
253.08574	5.6
255.06360	1.5
267.10184	2.6
267.15869	5.0
270.08841	2.0
285.11307	15.9
285.16809	34.5
286.17084	1.6
297.31442	1.4
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
53.03934	2.9
55.01867	3.4
55.05509	9.1
57.03433	11.3
57.07060	1.0
67.05498	15.6
69.03420	3.4
69.07062	3.5
69.33308	5.2
70.06612	0.9
71.04980	3.6
79.05487	14.8
79.59430	0.9
81.03412	100.0
81.07051	19.1
83.04979	7.0
83.05412	1.5
83.08615	20.5
83.09613	1.0
85.02898	15.1
85.06537	2.1
91.05470	15.0
93.07037	9.1
95.04961	24.8
95.08582	5.8
97.02888	3.3
97.06529	2.2
97.10162	1.2
98.22667	2.2
99.08088	1.5
105.07028	14.9
107.04951	5.4
107.08578	5.1
109.06505	4.1
109.10136	1.4
111.04448	1.8
111.08073	9.9
113.05999	2.6
115.05500	1.2
117.07021	1.7
119.08576	13.3
121.10133	5.7
123.08045	2.6
123.11697	1.3
129.06990	8.7
131.08554	8.4
131.80095	0.9
133.06497	2.3
133.10110	4.3
137.09657	1.4
142.07779	2.9
143.08655	1.0
145.10110	3.1
147.08043	3.2
147.11678	11.4
149.09621	5.2
153.01817	11.3
157.10138	12.1
165.07001	2.9
165.12740	3.8
171.11809	1.3
173.09683	1.8
175.11188	13.0
182.07253	1.4
183.11758	1.1
185.13190	1.3
193.12221	43.8
194.12596	1.5
202.03220	1.1
209.13197	1.1
210.06653	1.3
211.13235	15.6
216.79965	0.9
218.06454	0.9
221.06007	1.6
225.09091	3.8
239.17972	1.1
253.08580	6.4
265.16940	1.0
265.91968	1.0
267.10486	1.0
267.15536	7.1
285.11328	5.1
285.16983	9.1
285.73944	1.2
286.19180	1.2
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
55.05499	18.9
57.03428	12.9
57.07084	7.3
59.28423	5.4
67.05499	20.9
69.03404	8.2
69.07057	54.8
71.04988	9.6
79.05489	19.7
81.03415	17.2
81.07050	48.2
83.04988	8.6
83.08617	16.2
85.02892	14.2
85.06536	7.4
88.63580	5.5
91.05483	29.3
91.63046	6.1
93.07042	35.0
95.04956	20.1
95.08593	43.8
96.36768	5.1
97.06499	15.2
98.23441	14.9
105.07017	70.1
107.08578	36.5
109.06511	26.2
109.10133	28.2
111.08106	9.9
119.08571	100.0
121.06529	14.1
121.10111	33.7
123.11677	27.7
131.08536	7.5
133.10112	51.8
135.07976	9.2
135.11644	18.1
143.08571	12.2
145.10120	20.4
147.08104	6.8
147.11679	20.4
154.20457	6.1
156.65254	6.2
157.10092	12.5
159.11711	18.9
161.09587	65.3
161.13222	7.4
166.60391	6.3
169.10220	10.2
170.25072	6.2
175.14795	62.7
177.16374	13.8
185.13264	13.2
193.15904	7.9
197.13254	13.1
211.14919	12.2
228.77069	9.4
267.21036	12.0
285.16815	5.9
285.22131	53.2
285.30029	6.8
285.33325	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	287.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43275	6.9
53.91936	7.1
56.96556	38.3
57.03421	18.6
58.82672	5.9
60.95874	6.9
61.02938	8.0
69.03417	22.3
70.94608	12.2
73.02937	17.0
81.03448	7.3
85.02914	32.5
88.62096	6.3
97.02905	19.1
98.97559	57.2
98.98483	17.2
99.04449	11.3
110.07207	7.9
110.97567	13.2
113.02350	8.4
116.98605	20.2
117.04028	8.2
119.01831	22.0
128.02263	13.9
128.98595	19.0
130.04979	7.4
131.01840	17.1
134.99692	6.8
144.99849	6.8
146.24345	6.4
146.99640	15.2
149.02942	10.9
155.02846	9.4
158.99721	14.0
161.02884	11.5
170.99602	13.6
172.94308	7.6
177.00845	27.1
177.02425	12.1
182.03329	39.1
186.07608	28.8
189.00739	21.2
190.95479	7.0
191.03928	21.2
200.04398	19.2
201.00714	12.2
206.02608	12.7
208.96484	9.2
218.98538	10.8
219.01938	100.0
220.02092	13.0
227.00371	10.1
232.96254	9.1
236.99580	16.8
287.05392	62.4
287.12308	10.6
287.16006	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	287.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.6
69.00121	0.5
69.78284	1.6
70.98127	1.1
98.22749	0.6
98.97567	5.0
109.09033	0.5
110.97564	0.9
112.36447	0.5
116.98611	2.9
128.98611	0.7
130.93262	2.7
134.99626	1.4
148.94348	0.6
153.01807	1.9
154.93217	0.5
156.03215	0.6
161.02982	0.5
172.94339	4.9
175.02740	1.3
185.69370	0.5
186.04349	0.8
189.00690	0.8
190.95363	7.1
191.95998	0.5
193.04019	0.5
207.01814	0.8
208.96454	2.2
214.95305	0.9
216.96861	0.6
218.98354	0.6
219.01926	1.6
231.90269	0.5
232.96458	5.0
236.99373	0.7
237.02795	1.1
242.98492	0.6
244.99698	0.5
245.96642	0.5
250.97499	3.2
277.31543	0.5
280.94855	0.8
286.97580	2.7
287.10980	100.0
288.11270	3.0
303.77768	0.5
304.98480	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	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06294	0.7
50.36736	0.8
53.72264	0.8
55.58029	0.8
56.96559	4.0
59.16663	0.7
63.00021	1.9
70.06574	3.2
72.08151	1.8
86.09683	0.9
98.97576	3.0
98.98440	2.8
113.06036	1.5
116.98616	1.2
119.01777	1.0
126.58325	0.9
130.93265	2.2
133.16743	0.8
138.79546	0.8
146.11755	1.0
172.94403	2.3
180.68208	0.9
185.04341	0.8
190.95363	5.2
196.86671	1.0
203.03410	1.6
208.96449	1.7
219.01891	4.4
222.92192	0.9
232.96404	3.5
236.99530	1.7
241.10358	1.8
241.99609	0.8
250.97504	2.1
264.02988	2.7
266.66751	1.0
287.05536	5.8
287.10989	100.0
288.11282	2.9
288.20425	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03916	0.8
55.01859	2.4
55.05497	0.6
57.03419	0.5
58.53146	0.5
62.55437	0.5
65.03911	1.8
67.05463	2.2
69.03380	2.0
69.07043	0.6
71.92458	0.5
77.03871	0.6
79.05482	4.2
81.03362	1.5
81.07037	3.6
83.04902	1.6
85.06501	0.6
89.03872	0.8
91.05466	9.2
93.06998	2.2
94.04171	2.4
95.04961	5.1
95.08570	1.0
97.06501	1.3
98.98384	0.5
103.04852	0.6
103.05463	8.1
105.04500	0.6
105.07029	9.3
106.04177	0.6
107.04963	5.1
107.08553	1.2
108.05687	0.8
109.06506	8.4
111.04405	3.7
115.05431	2.2
117.07017	2.6
119.04905	2.1
119.06011	0.6
119.08543	0.8
120.05655	0.6
121.02830	1.5
121.06496	17.8
122.03626	2.5
123.04395	1.4
123.08021	1.7
124.05209	0.9
125.05970	1.5
128.06204	1.2
129.07010	0.7
131.04915	8.6
131.08568	1.1
133.02789	1.0
133.06436	1.9
133.10239	0.9
134.03584	2.2
135.04381	1.6
135.08035	20.8
136.05170	1.0
136.08417	0.7
137.05969	39.1
137.09566	1.2
138.06268	0.8
139.07498	1.8
141.06946	2.2
142.07710	0.7
143.04913	1.9
143.08511	0.5
144.05702	0.6
145.06458	2.9
145.10130	0.6
147.04370	5.2
147.11627	0.7
148.05188	3.4
149.05968	29.0
150.06683	0.7
151.03827	0.8
151.07533	25.3
152.06189	19.7
152.71036	0.5
153.01868	2.5
153.06937	3.1
154.07632	0.7
155.08525	1.3
156.09314	1.0
157.06424	1.8
157.10083	0.7
159.04323	0.8
159.08072	1.2
160.05093	0.9
161.05937	3.8
162.06721	2.6
163.03839	2.2
163.07532	43.1
164.08188	1.6
164.33871	0.5
165.05701	0.4
165.06975	15.3
165.09088	5.6
166.07771	18.5
167.08543	70.8
168.08913	1.9
169.06476	6.9
171.07997	1.3
171.11702	0.6
174.06755	2.3
175.07515	2.8
176.06197	1.4
176.08318	1.1
177.05551	1.0
177.06967	8.4
177.09138	4.3
178.07666	1.2
179.07158	0.6
179.08525	1.9
180.05693	1.4
181.06490	7.0
181.10095	3.6
182.07193	0.9
183.08037	4.4
184.08838	6.8
185.05963	1.0
185.09612	1.1
187.05663	0.6
187.07529	1.6
189.09099	0.8
191.08521	0.8
194.07266	8.6
195.08037	90.0
196.08615	6.8
197.05956	16.1
197.09500	0.9
198.06682	1.2
199.07558	2.8
199.11166	2.1
201.09026	1.3
203.06990	0.8
205.06520	1.7
208.05191	0.6
209.06110	0.7
209.09605	11.3
209.11557	0.4
211.07515	6.6
212.08298	17.4
213.05400	1.4
213.09015	2.4
217.08609	0.7
221.05890	1.0
222.06746	1.9
223.07516	29.9
224.08162	3.2
225.05446	2.3
225.09033	1.2
226.06241	0.6
226.09801	0.6
227.06975	5.0
227.10641	100.0
228.11003	4.0
229.08444	1.1
231.06500	0.6
237.09052	5.7
239.06999	2.0
240.07768	6.3
241.05170	0.5
241.08560	3.9
241.12187	3.2
243.09950	0.5
251.10669	0.9
254.09317	1.5
255.10138	76.2
256.10760	5.5
257.08121	1.3
258.05096	0.9
259.13254	2.0
269.08218	0.7
269.11731	3.9
269.19012	1.8
272.10214	2.5
287.05563	22.9
287.09195	2.6
287.12714	53.1
287.19827	3.2
288.05856	1.7
288.12955	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1276
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
50.72510	0.7
53.03927	1.0
53.19883	0.6
55.01854	1.8
62.81784	0.6
67.01852	1.4
67.05474	2.9
68.99773	1.6
69.03394	1.7
69.25017	1.4
69.25425	3.2
70.23377	0.6
71.04955	2.6
79.05496	6.5
81.03396	1.8
81.07040	3.6
83.04962	1.5
89.03893	1.7
91.05470	11.1
93.07012	1.5
94.04174	1.8
95.04969	4.3
95.08559	1.0
97.06507	1.4
98.23464	1.5
101.63943	0.7
103.05453	9.3
105.03370	0.7
105.04494	1.3
105.07018	9.3
107.04938	6.5
107.08586	1.4
108.05721	0.9
109.06506	8.0
111.04425	4.0
113.05981	0.8
115.05457	1.9
117.03362	1.3
117.06977	3.2
119.04912	2.1
119.08554	1.6
121.06481	18.7
122.03616	2.5
122.06009	1.0
123.04392	1.7
123.08035	1.7
125.05978	1.3
128.06158	1.4
131.04922	9.0
131.08633	0.7
133.02802	0.8
133.06448	2.9
134.03598	3.1
135.04408	7.9
135.07036	1.3
135.08032	18.4
136.05118	1.1
136.07529	1.7
136.08420	1.1
137.02339	1.5
137.05962	40.7
139.07452	1.4
141.06964	2.8
143.04901	2.3
145.06488	4.3
147.04408	6.9
148.05145	2.4
149.05963	27.9
150.06787	0.8
151.07527	23.9
152.06189	22.1
153.01805	12.1
153.06911	2.9
155.08484	1.0
156.09369	1.1
157.06451	1.6
161.02275	0.9
161.05940	2.9
162.06747	2.3
163.03864	2.9
163.07521	43.0
164.08206	1.6
165.06993	15.9
165.09076	6.6
166.06444	1.4
166.07765	17.9
167.07162	3.2
167.08537	76.6
168.08934	2.3
169.06451	7.7
171.02853	1.2
171.07974	0.8
174.06773	1.7
175.07521	2.3
176.06209	1.7
176.08340	1.1
177.05492	1.6
177.06976	6.8
177.09079	3.7
178.07710	1.4
179.07133	1.3
179.08589	2.3
180.05698	1.5
181.06439	7.0
181.10056	3.6
183.08107	4.5
184.08804	6.1
185.05780	1.0
185.09554	0.8
187.07530	2.6
189.09096	0.8
191.07011	1.1
191.08604	1.7
193.06520	1.2
194.07251	8.8
195.08029	95.9
196.08582	6.5
197.05939	17.9
198.06599	1.0
199.07594	1.2
199.11191	2.4
201.09010	1.4
205.06502	1.8
207.04430	0.8
209.09537	9.6
210.09993	0.7
211.07552	6.0
211.09387	1.2
212.08296	17.9
213.05469	0.9
213.09045	3.0
222.06796	1.4
223.07518	30.8
224.08139	4.0
225.05450	2.6
225.08978	1.8
226.09880	0.9
227.10634	99.1
228.10954	5.2
229.08560	1.5
237.09128	4.4
239.07048	2.1
240.07764	8.3
241.04912	2.4
241.08496	3.8
241.12227	2.9
251.10704	1.1
255.10127	76.0
256.10666	5.0
259.13266	1.7
269.08325	1.0
269.11755	3.5
272.10373	3.1
287.05481	100.0
287.12662	52.1
287.17850	1.5
288.05832	6.2
288.13058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1274
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03929	0.9
55.01833	2.0
55.05488	0.9
57.03399	0.8
65.03908	1.5
67.05494	1.1
69.03384	2.0
71.04936	0.8
71.47749	0.6
74.13822	0.6
77.03889	0.9
79.05479	4.3
81.03367	1.2
81.07041	3.7
83.04926	1.2
85.02864	1.2
85.06483	0.7
91.04960	0.7
91.05470	9.3
93.06993	1.9
94.04129	1.8
95.04955	4.8
95.08565	2.4
97.06470	1.9
102.04654	0.6
103.05466	7.2
105.04478	1.0
105.07020	8.4
107.04931	4.0
107.08565	1.2
108.05737	0.7
109.06512	7.1
109.10093	0.6
111.04431	3.9
113.05966	0.6
115.05399	2.2
117.06954	2.2
119.04892	1.9
119.08609	0.7
121.02863	1.2
121.06499	16.2
122.03599	2.3
123.04401	1.3
123.08027	2.0
129.06947	1.9
130.04071	0.7
131.04913	9.4
131.08569	0.8
133.02821	0.9
133.06454	2.9
134.03648	3.2
135.04391	1.6
135.08031	20.7
136.05194	1.0
136.07472	1.1
137.02296	1.1
137.05956	38.3
137.09529	1.2
138.06415	0.9
139.07504	1.6
141.06952	2.6
142.07668	0.6
143.04874	2.7
143.08525	0.8
145.06458	4.0
147.04395	5.1
147.08003	0.6
148.05183	4.0
149.05957	31.4
150.06708	1.5
151.06337	1.2
151.07521	24.0
152.06184	20.7
153.01793	2.6
153.06924	3.8
155.08501	1.2
156.09300	0.8
157.06418	1.2
157.10022	0.7
159.04308	0.8
161.05965	3.7
162.06757	2.0
163.03880	3.1
163.07520	42.3
164.08130	1.2
165.06984	16.7
165.09084	5.4
166.07759	16.2
166.99115	0.6
167.08539	69.5
168.08902	2.2
169.06447	6.2
169.10114	0.7
171.08055	1.4
174.06735	2.9
175.07475	2.2
176.06213	1.1
176.08287	1.5
177.05511	1.0
177.06970	8.2
177.09004	3.0
179.08504	1.5
180.05716	0.8
181.06456	6.8
181.10034	3.5
182.07054	0.6
183.08061	3.9
183.14568	0.6
184.08810	6.3
185.05975	0.7
187.07550	2.1
189.09119	1.1
191.08530	0.9
191.10602	0.9
193.06557	0.8
194.07225	10.5
195.08029	90.8
196.08582	6.9
197.05951	16.5
197.09502	1.0
198.06558	1.5
199.07492	2.8
199.11151	2.7
201.09106	1.0
205.06448	2.0
207.04393	0.8
209.05901	0.8
209.09586	10.2
210.06863	0.7
211.07513	5.8
212.08298	16.6
213.05467	2.0
213.09006	2.4
217.08603	1.0
221.05838	0.8
222.06775	1.8
223.07515	29.1
224.08012	3.2
225.05426	2.5
225.09033	1.2
226.06161	0.9
226.09929	0.6
227.06995	5.0
227.10634	100.0
227.69119	0.6
228.10962	4.7
237.09000	5.1
239.07004	3.2
240.07779	7.6
241.08563	4.2
241.12152	2.9
242.09128	0.6
251.10629	1.0
255.10127	87.6
256.10663	4.6
257.07971	0.9
259.13293	1.6
269.08401	1.5
269.11734	4.6
269.19022	2.1
272.10403	1.9
287.05539	31.3
287.09216	2.2
287.12701	57.1
287.19638	3.5
288.05969	1.9
288.13177	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	287.1276
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
51.52519	0.5
54.39041	0.6
55.01868	3.3
55.05491	2.2
57.03434	1.1
65.03931	1.0
67.05491	3.2
69.03407	1.5
69.07067	0.7
71.04971	1.5
77.03918	0.8
79.05488	5.7
81.03405	0.8
81.07057	5.9
83.04958	1.6
83.08598	1.4
85.02890	0.7
87.04433	0.5
91.05466	10.3
93.07042	2.8
94.04166	2.4
95.04961	4.7
95.08616	3.4
97.06515	7.2
97.10165	0.6
103.05459	7.6
105.04510	0.8
105.07017	9.4
106.07306	0.6
107.04947	5.2
107.08595	2.4
108.05721	1.3
109.06509	9.6
109.10127	1.6
111.04436	3.8
113.06009	0.5
115.05442	1.7
117.06988	3.1
119.04913	1.8
119.05940	0.6
119.08547	1.4
120.05662	1.1
121.02941	0.5
121.06490	16.7
121.10130	1.2
122.03624	2.5
123.04413	1.6
123.08056	1.4
124.05206	0.8
125.05954	0.9
128.06165	0.5
128.15909	0.5
128.47191	0.5
129.06924	1.1
131.04915	9.6
131.08528	1.6
132.05673	0.7
133.02856	0.7
133.06465	2.2
133.10115	1.5
134.03659	2.4
135.04390	1.9
135.08038	21.4
135.09067	1.2
135.11609	0.8
136.05182	1.4
136.08409	0.7
137.02332	0.6
137.05959	39.6
137.09599	0.9
138.06412	0.7
139.07481	1.4
141.06950	2.0
142.07765	0.7
143.04890	2.4
143.08554	1.2
145.06435	3.1
145.10091	1.6
147.04390	4.8
147.11642	1.7
148.05179	3.1
149.05963	27.0
149.09586	0.9
150.06682	1.1
151.07521	24.4
152.06183	23.9
153.01817	1.0
153.06871	1.0
155.04843	0.8
155.08537	1.0
156.09334	1.4
157.06487	1.7
157.10106	1.5
159.04376	0.7
159.11656	0.8
161.05969	3.1
162.06769	3.1
163.03906	3.8
163.07523	41.0
164.08191	1.6
165.05840	0.3
165.06975	15.2
165.09064	5.7
166.07767	18.3
167.08537	76.2
168.08887	3.1
169.06465	6.7
169.10078	0.8
170.07124	0.6
171.07971	1.0
173.09628	1.2
174.06746	2.0
175.07527	2.0
175.11154	1.8
176.06229	2.4
176.08228	0.9
177.05461	0.8
177.06941	8.2
177.09056	4.2
179.07080	1.1
179.08575	1.5
180.05734	0.8
181.06447	5.5
181.10101	4.1
182.07191	0.8
183.08006	3.4
184.08835	6.3
185.09599	1.2
185.13148	0.7
187.07520	2.0
189.09053	1.0
191.06985	1.2
191.08578	0.9
193.06471	1.0
194.07239	9.9
195.08029	99.8
195.13734	2.9
196.08566	5.6
197.05954	16.0
197.09552	1.5
198.06407	1.4
199.11166	2.7
199.14763	0.6
205.06488	1.6
206.07121	0.7
209.09579	9.4
209.13104	0.8
211.07501	6.1
211.14807	0.9
212.08290	18.5
213.05458	0.6
213.09047	2.1
213.14745	0.7
221.05852	0.8
222.06761	1.7
223.07513	30.3
224.08099	3.2
225.05380	3.0
225.09013	1.9
226.09781	0.8
227.10634	100.0
228.10954	3.9
229.08516	1.0
231.06441	0.7
237.09056	5.4
238.09607	0.6
239.07022	1.7
240.07784	6.9
241.08475	1.8
241.12141	3.1
241.19551	1.1
251.10661	1.5
251.17876	2.0
254.09100	1.0
255.10121	76.2
256.10623	5.3
259.10538	0.6
259.13318	1.8
269.11685	3.5
269.19022	8.6
272.10321	2.2
287.05582	11.9
287.12732	47.6
287.20032	15.3
288.13095	2.2
288.20529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1277
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
52.86378	0.6
55.01857	1.7
57.03417	0.6
65.03922	0.7
67.05489	1.4
69.03410	1.2
69.33265	3.2
77.03899	1.0
79.05486	4.0
81.03416	0.7
81.07041	4.0
83.04948	1.2
91.05475	8.1
93.07034	1.2
94.04167	2.1
95.04961	4.2
98.97548	1.2
103.05461	9.7
105.04501	0.8
105.07019	9.2
107.04935	4.5
107.08598	1.0
109.06503	9.2
111.04454	3.5
113.05988	0.8
114.81026	0.7
115.05444	1.9
117.06971	2.2
119.04942	1.7
119.06075	0.8
119.08569	0.6
120.05709	1.1
121.06499	17.2
122.03617	2.3
123.04424	1.5
123.08022	1.3
124.05145	0.6
124.82133	0.6
125.72570	0.6
129.06978	0.9
131.04924	9.0
133.02866	0.8
133.06483	1.8
134.03607	2.5
135.04391	1.7
135.07033	1.3
135.08037	20.3
136.05185	1.2
137.05969	39.3
139.07541	2.1
141.07001	1.7
143.04912	2.6
145.06458	2.8
147.04404	4.4
148.05185	3.6
149.05968	29.4
150.06517	1.0
151.07521	23.6
152.06197	24.0
153.07016	1.3
155.08534	1.5
156.09328	1.4
159.04478	0.9
161.05957	2.6
162.06717	2.0
163.03908	2.5
163.07530	41.5
164.08170	1.4
165.06975	13.2
165.09073	6.1
166.07768	17.4
167.08548	72.8
168.08913	2.0
169.06453	5.4
171.07947	0.7
174.06747	2.6
175.07503	2.2
176.06200	2.7
176.08350	0.9
177.05399	1.6
177.06966	7.5
177.09059	3.4
178.07724	1.5
179.07124	1.1
179.08556	1.6
181.06450	5.6
181.10071	4.3
183.08040	3.0
184.08842	6.5
185.09583	1.1
187.07529	1.7
189.09091	1.1
191.08566	1.2
194.07266	9.6
195.08034	93.1
196.08653	5.9
197.05952	15.3
197.09528	1.0
198.06488	0.7
199.07523	1.0
199.11159	1.7
205.06479	1.7
209.09621	11.5
210.10077	0.9
211.07504	5.9
212.08316	16.6
213.08841	1.9
221.05934	1.1
222.06683	2.0
223.07521	27.8
224.08087	3.1
225.05450	2.2
225.09073	1.4
227.10646	100.0
228.11053	4.5
237.09045	5.0
239.06973	2.3
240.07758	6.9
241.08368	1.3
241.12132	3.3
251.10545	0.7
255.10141	75.8
256.10687	5.8
257.07944	1.0
259.13364	1.8
269.11728	4.0
269.18970	1.1
272.10406	2.3
283.75262	0.7
287.12744	47.5
287.19708	2.8
288.13068	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	287.1276
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
55.01845	1.8
55.05492	0.6
61.71143	0.5
65.03918	0.9
67.05479	1.6
69.03415	1.3
69.33285	1.7
69.33669	1.3
74.05265	0.5
77.03928	0.8
79.05489	4.7
81.07053	3.3
83.04989	1.1
91.05469	9.6
93.07021	1.8
94.04156	1.8
95.04957	3.6
95.08588	1.0
98.23011	2.3
103.05459	7.3
105.07021	9.4
107.04933	3.7
107.08582	1.3
108.05689	0.8
109.06490	6.9
111.04419	3.8
111.80373	0.6
112.93226	0.6
113.05991	0.8
115.05427	2.4
117.06985	2.1
119.04907	2.1
119.06124	0.7
119.08617	1.0
120.05646	0.7
121.06487	16.3
122.03619	2.2
123.04390	1.8
123.08055	0.8
124.05214	1.1
125.05958	1.0
128.06148	0.6
129.06956	0.8
131.04912	10.9
133.06464	1.4
133.10101	0.7
134.03607	2.8
135.04417	1.1
135.07043	1.1
135.08031	16.4
136.05147	1.0
136.73915	0.5
137.05960	42.5
137.09563	0.7
138.06325	0.9
139.07500	1.4
141.06940	2.3
143.04893	2.4
143.08521	0.9
145.06465	4.3
145.10120	0.8
147.04408	5.3
147.11670	1.3
148.05167	3.2
149.05966	28.2
151.07526	21.2
152.06190	20.6
153.06847	1.7
155.08582	0.7
156.09311	1.0
156.27823	0.6
157.06465	1.7
157.10043	1.1
159.04396	1.2
161.05934	2.8
162.06726	2.2
163.03859	2.7
163.07520	40.4
164.08015	0.7
165.06979	14.5
165.09062	5.1
166.07771	17.6
167.08543	72.7
168.08949	2.6
169.06482	5.3
169.10091	0.9
171.07951	1.1
174.06754	2.0
175.07561	1.7
175.11171	2.2
176.06149	1.4
176.08289	1.0
177.05521	1.4
177.06964	7.5
177.09119	3.3
178.07794	1.0
179.08580	1.3
181.06477	6.4
181.10135	4.2
182.07162	0.7
183.08052	3.7
184.08841	6.0
185.09483	0.8
187.07555	1.6
193.06427	1.4
194.07236	9.8
195.08031	89.9
196.08577	6.1
197.05943	15.4
197.09557	0.7
198.06541	1.0
199.11136	2.1
201.09192	0.7
205.06435	1.9
206.07300	0.8
207.04271	1.0
209.09587	10.7
210.06784	0.7
210.09885	0.8
211.07483	5.9
211.14819	1.1
212.08286	16.1
213.09012	2.4
222.06625	2.3
223.07524	32.2
224.08095	3.3
225.05415	2.3
225.09030	1.2
227.10638	100.0
228.10963	3.4
237.09090	5.6
239.06990	2.5
240.07806	7.2
241.08479	1.2
241.12192	2.6
251.17955	1.2
255.10133	76.7
256.10721	4.7
259.13223	1.7
269.11801	3.0
269.19049	2.9
272.10507	3.4
287.12738	49.3
287.19843	9.4
288.12958	2.1
288.20398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86378	0.6
55.01857	1.7
57.03417	0.6
65.03922	0.7
67.05489	1.4
69.03410	1.2
69.33265	3.2
77.03899	1.0
79.05486	4.0
81.03416	0.7
81.07041	4.0
83.04948	1.2
91.05475	8.1
93.07034	1.2
94.04167	2.1
95.04961	4.2
98.97548	1.2
103.05461	9.7
105.04501	0.8
105.07019	9.2
107.04935	4.5
107.08598	1.0
109.06503	9.2
111.04454	3.5
113.05988	0.8
114.81026	0.7
115.05444	1.9
117.06971	2.2
119.04942	1.7
119.06075	0.8
119.08569	0.6
120.05709	1.1
121.06499	17.2
122.03617	2.3
123.04424	1.5
123.08022	1.3
124.05145	0.6
124.82133	0.6
125.72570	0.6
129.06978	0.9
131.04924	9.0
133.02866	0.8
133.06483	1.8
134.03607	2.5
135.04391	1.7
135.07033	1.3
135.08037	20.3
136.05185	1.2
137.05969	39.3
139.07541	2.1
141.07001	1.7
143.04912	2.6
145.06458	2.8
147.04404	4.4
148.05185	3.6
149.05968	29.4
150.06517	1.0
151.07521	23.6
152.06197	24.0
153.07016	1.3
155.08534	1.5
156.09328	1.4
159.04478	0.9
161.05957	2.6
162.06717	2.0
163.03908	2.5
163.07530	41.5
164.08170	1.4
165.06975	13.2
165.09073	6.1
166.07768	17.4
167.08548	72.8
168.08913	2.0
169.06453	5.4
171.07947	0.7
174.06747	2.6
175.07503	2.2
176.06200	2.7
176.08350	0.9
177.05399	1.6
177.06966	7.5
177.09059	3.4
178.07724	1.5
179.07124	1.1
179.08556	1.6
181.06450	5.6
181.10071	4.3
183.08040	3.0
184.08842	6.5
185.09583	1.1
187.07529	1.7
189.09091	1.1
191.08566	1.2
194.07266	9.6
195.08034	93.1
196.08653	5.9
197.05952	15.3
197.09528	1.0
198.06488	0.7
199.07523	1.0
199.11159	1.7
205.06479	1.7
209.09621	11.5
210.10077	0.9
211.07504	5.9
212.08316	16.6
213.08841	1.9
221.05934	1.1
222.06683	2.0
223.07521	27.8
224.08087	3.1
225.05450	2.2
225.09073	1.4
227.10646	100.0
228.11053	4.5
237.09045	5.0
239.06973	2.3
240.07758	6.9
241.08368	1.3
241.12132	3.3
251.10545	0.7
255.10141	75.8
256.10687	5.8
257.07944	1.0
259.13364	1.8
269.11728	4.0
269.18970	1.1
272.10406	2.3
283.75262	0.7
287.12744	47.5
287.19708	2.8
288.13068	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	287.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
57.03425	1.9
60.03948	0.8
69.03416	1.8
69.33138	3.0
77.03931	1.1
78.04693	1.9
78.17509	0.7
79.05479	8.5
91.05470	4.1
93.07027	0.9
95.04972	4.6
103.05455	10.4
105.07019	9.2
106.04177	1.5
107.04945	61.5
107.08523	0.7
108.05238	1.3
115.05434	3.5
117.07014	2.0
120.05700	3.1
121.06525	1.2
122.03630	1.2
123.04440	4.2
124.05176	4.2
124.16264	0.7
125.05918	0.9
131.04988	3.8
133.06488	3.0
135.08044	18.6
136.08337	1.0
137.05989	2.5
145.07579	2.4
147.04413	1.0
149.05978	1.2
150.06752	1.3
151.03900	1.0
152.04660	1.9
154.06192	2.5
161.05960	0.9
163.07526	38.6
164.08020	0.8
165.05447	0.8
165.09081	1.1
167.07022	100.0
168.07477	2.5
180.07771	3.6
181.08568	2.0
193.08586	2.1
195.08273	1.7
195.10146	26.9
196.10495	1.5
196.83463	0.7
211.09645	5.9
213.11183	23.3
255.10110	1.5
287.05215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	17alpha-Methylestradiol
Peak:m/z	Relative Intensity
55.05495	1.3
67.05500	2.9
69.03436	0.7
69.07050	1.1
71.19041	0.4
77.03957	0.5
79.05489	3.4
81.07047	4.7
83.04975	0.5
83.08578	0.4
91.05469	4.1
93.07040	7.6
95.04954	1.0
95.08597	8.8
95.09205	0.4
97.06520	0.8
98.23109	0.6
105.07026	5.8
107.05025	0.4
107.08582	5.3
109.06522	0.9
109.10149	1.3
111.08075	0.8
117.06987	1.6
119.08563	3.2
121.06491	1.3
121.10130	4.1
123.08075	1.3
129.07001	1.6
130.07762	0.5
131.08563	3.8
133.10143	3.0
135.08032	1.8
135.11713	1.5
137.09583	0.5
141.07007	1.1
142.07762	0.7
143.08580	3.1
145.06538	0.7
145.10112	7.0
147.08032	0.9
147.11668	5.1
149.09598	0.7
151.07584	0.4
152.06212	0.5
155.08534	1.9
157.06450	0.5
157.10092	4.6
159.07982	0.7
159.11653	3.6
161.09608	3.2
161.13228	0.7
163.07610	0.5
163.11058	0.5
165.06964	0.6
167.08510	1.8
169.10132	2.4
170.10785	0.4
171.08011	0.4
171.11690	2.2
173.09598	2.9
173.13211	1.6
174.73888	0.3
175.11177	3.3
179.08554	0.5
180.09351	0.5
181.10091	1.7
183.11674	2.3
184.12401	0.5
185.09554	0.5
185.13257	3.4
187.11200	1.3
187.14766	0.7
194.10942	0.6
195.08047	1.0
195.11652	4.7
196.12392	0.6
197.13225	1.1
199.11235	0.7
199.14775	2.2
201.12682	1.7
201.16704	0.4
208.12434	0.4
209.13235	4.9
210.13731	0.5
211.14816	5.9
213.12740	1.1
213.16443	0.8
215.14233	0.4
221.13229	1.0
222.14034	0.6
223.14740	1.6
225.16371	1.7
227.10651	0.6
227.14293	1.4
227.17905	0.5
236.15535	2.2
239.17909	1.9
240.18726	0.5
241.15910	0.6
241.19438	3.8
251.17924	10.3
252.18236	0.6
254.16502	2.0
255.09964	0.3
269.18970	40.8
270.19250	2.1
272.17535	0.4
287.05481	1.3
287.20020	100.0
288.20352	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
50.25610	0.7
55.05498	1.2
67.05502	3.2
68.99741	0.7
69.03419	0.6
69.07068	1.3
69.27025	2.2
69.27435	1.0
79.05482	4.5
81.07036	6.0
91.05453	6.0
93.07039	9.2
95.08591	10.0
97.06509	0.7
98.52027	0.6
105.07013	9.0
107.08577	5.6
109.06501	1.3
109.10115	2.2
117.07026	1.6
119.08553	2.7
121.06480	1.8
121.10093	5.2
123.08054	1.9
128.06197	1.0
129.06992	1.9
131.08543	4.4
133.10092	4.8
135.08051	1.1
135.11650	2.1
137.06001	1.2
137.09492	1.0
141.06966	1.9
142.07745	1.6
143.08530	5.4
144.09296	1.0
145.06496	0.9
145.10095	11.5
147.11670	6.2
151.07518	0.8
152.06186	0.9
155.08534	2.4
157.10075	5.6
159.07962	1.4
159.11688	4.6
161.09578	3.6
161.13123	0.8
163.07520	0.8
165.06950	1.5
167.08513	3.8
168.09337	0.9
169.10092	3.1
171.11613	3.5
173.09598	3.4
173.13240	1.8
175.11121	4.2
180.09366	0.8
181.10051	3.3
183.11601	3.2
184.12489	0.7
185.13217	3.7
187.11119	1.3
194.10907	0.9
195.07999	2.0
195.11682	6.4
196.12436	1.6
197.13179	1.5
199.14786	2.6
201.12749	2.1
207.11702	1.0
209.13223	5.9
211.14799	6.1
213.12720	1.3
221.13213	2.3
223.07538	0.9
223.14772	2.2
225.16409	1.5
227.10635	3.0
227.14171	1.2
236.15468	3.1
239.18028	2.0
240.18655	0.8
241.19467	4.6
251.17908	14.6
252.18253	0.9
254.16614	1.7
255.10078	1.7
269.18954	59.2
270.19342	3.9
273.04349	0.6
287.05579	2.9
287.13004	2.5
287.20007	100.0
288.20432	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	289.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	53.6
59.08002	6.8
60.05639	8.9
64.99732	10.1
70.06586	48.3
72.08167	12.4
73.44419	6.5
84.08151	12.7
86.09697	9.3
98.97580	44.1
112.74761	7.4
116.07121	7.5
116.98640	27.1
119.01911	29.7
127.03922	18.0
131.98552	29.3
133.03430	10.2
134.99651	10.2
135.04414	8.6
137.02937	12.0
139.03899	10.7
140.00156	9.8
141.12444	7.7
142.01782	48.6
144.03276	11.6
149.99600	16.5
160.02798	52.0
161.03040	8.1
171.04356	8.9
173.05991	11.7
175.11925	16.4
178.03835	17.1
179.00722	8.2
186.02994	11.3
190.95412	7.0
192.98650	14.2
203.05815	9.9
210.62637	6.4
216.98779	16.4
217.05034	10.3
219.01778	11.2
221.01779	51.8
229.03885	7.2
234.99741	22.2
246.98085	6.5
247.01237	10.7
247.04941	16.0
265.02475	8.7
271.09760	26.8
288.20032	8.7
289.03986	10.0
289.06821	22.6
289.10733	100.0
289.59854	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
50.01598	0.4
51.02376	1.1
53.03930	0.6
55.01870	3.3
55.05527	0.4
65.03928	2.2
67.05492	4.7
68.99780	4.7
70.23953	1.0
71.04973	0.5
77.03922	2.9
79.05479	1.3
80.76463	0.4
83.04967	0.9
86.09676	0.8
86.57814	0.5
89.03878	2.3
91.01009	0.5
91.05473	1.8
93.03394	1.4
93.07037	0.4
95.04958	8.6
96.04482	2.0
97.02879	0.7
103.05446	1.9
105.03387	2.6
105.04499	1.0
105.07029	1.2
107.04933	2.2
111.00784	1.5
111.04437	2.4
115.05457	1.2
117.03377	3.6
119.04915	1.1
121.02856	0.7
121.06496	0.7
123.04414	100.0
124.04716	2.3
127.03885	1.1
128.06245	0.6
129.06979	0.7
130.06502	0.9
130.12311	0.6
131.04916	5.0
133.02858	0.5
133.06468	1.5
135.03447	0.8
135.04408	7.6
139.03886	36.1
140.04221	0.7
141.06993	1.8
145.02843	4.0
145.06433	0.7
148.07539	0.6
149.05997	2.3
151.03868	7.7
153.01866	0.6
155.04913	0.6
157.06467	1.1
157.07616	0.8
158.06018	1.1
159.04396	8.4
161.05960	1.4
163.03885	24.9
164.04265	0.6
169.06474	1.2
173.05969	1.5
177.05464	3.0
179.03304	0.6
181.06406	0.5
183.04359	0.8
185.06004	2.1
187.03847	6.3
194.08107	1.2
197.05943	2.8
199.04037	0.7
201.05446	0.8
203.07004	0.5
205.04968	4.0
211.03891	0.7
215.06990	1.4
217.04837	0.7
225.05432	1.6
229.05002	1.9
243.06459	3.1
245.04408	1.9
253.04953	1.2
271.05991	1.9
289.03793	0.7
289.06992	11.5
289.11932	0.7
291.12552	0.6
291.40210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03939	1.0
56.96556	1.7
57.03429	0.5
61.02912	0.8
65.03922	0.8
67.05488	0.5
69.03426	2.4
69.35677	1.8
71.04981	0.8
73.02902	0.5
79.05489	0.4
81.03426	2.0
81.07041	0.5
85.02885	4.6
91.05478	0.4
93.03398	0.8
97.02885	1.7
98.97587	1.2
99.04433	1.4
109.02885	1.5
109.16349	0.4
110.97618	0.4
111.04440	3.4
116.98569	0.9
119.01887	0.4
121.10171	0.6
123.03646	0.4
123.04434	2.7
127.03906	100.0
128.04257	2.2
128.98627	0.8
131.04922	0.9
134.99580	0.7
135.04401	4.7
137.02330	5.4
137.03389	0.8
138.47217	0.4
139.03885	5.6
141.06561	0.5
145.04968	0.7
146.99625	0.9
151.03925	2.0
153.01816	3.1
163.03961	0.9
172.94363	0.5
190.95384	0.7
261.07309	0.5
264.98987	0.4
271.16547	0.7
289.03436	1.3
289.06970	2.3
289.12537	66.3
290.12906	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.107
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
52.48764	0.5
53.14297	0.5
55.01868	6.0
55.05490	0.8
57.03425	2.7
60.56966	0.7
61.46313	0.5
63.13916	0.5
67.05483	1.9
68.99784	1.8
69.03418	1.2
69.07053	1.8
69.22456	3.2
71.01342	1.4
71.04980	0.8
73.39841	0.5
79.05476	2.6
81.07042	2.0
85.06526	0.9
87.00812	2.0
91.05472	2.1
93.07033	1.8
95.04958	0.6
95.08597	2.2
97.06525	13.4
100.91460	0.5
103.05447	1.5
105.03394	0.6
105.06989	3.1
107.08564	1.1
110.02844	0.6
114.95958	0.4
115.05410	3.2
117.07027	3.7
119.04946	0.8
119.08611	0.9
121.06499	0.7
123.04433	4.1
128.06194	2.0
129.07011	3.7
131.04936	1.8
131.08556	2.0
133.06479	1.9
133.10133	1.2
135.04344	0.6
137.05951	0.5
139.05472	0.8
140.06114	0.8
141.06958	6.0
142.07753	1.2
143.04890	0.9
143.08551	1.5
144.05641	0.9
145.06497	3.1
145.07430	0.5
145.10118	2.5
147.04399	3.7
147.11600	0.7
149.05989	1.4
152.06178	0.7
153.06973	5.5
154.07744	2.4
155.04868	0.6
155.06007	0.7
155.08543	15.6
157.06471	1.7
157.10110	2.4
158.07263	0.8
159.04424	0.7
159.08040	6.3
159.11664	2.1
160.05205	8.7
161.05960	16.7
163.03870	1.3
165.05501	1.4
165.06937	7.5
166.07755	2.3
167.08536	0.8
168.05698	3.1
169.06454	4.9
169.10124	4.9
171.04335	1.0
171.08028	1.5
173.05972	16.9
173.09583	3.7
174.06705	2.4
175.03928	2.7
175.07581	3.6
175.11212	1.4
176.04684	1.2
177.05507	2.7
178.07793	2.0
179.06990	0.6
179.08533	13.3
181.06413	3.1
181.10121	1.6
182.07277	2.2
183.04425	1.0
183.08032	17.5
185.05992	2.7
185.09622	5.2
186.06749	6.1
187.03932	3.2
187.07526	29.9
188.08150	1.8
189.05484	6.1
189.09084	17.8
191.03362	1.8
192.04097	0.8
193.04956	7.1
193.06509	1.6
194.07254	1.5
195.08006	0.8
196.05087	0.9
197.05965	4.7
197.09604	8.0
199.03873	1.0
199.07526	5.6
199.11195	1.3
200.04715	1.3
200.08295	1.0
201.05360	2.3
201.09087	100.0
202.06071	0.6
202.09573	2.9
203.03348	2.3
203.07004	1.7
203.10640	3.9
204.07799	1.6
205.05035	1.3
205.08566	0.8
207.08060	10.0
208.08752	1.1
209.09631	1.8
210.06709	7.7
211.07516	44.1
212.08250	6.2
213.05530	0.9
214.06216	2.8
215.07024	2.6
215.10619	8.0
216.04117	1.0
217.05017	1.8
217.08612	0.9
217.12375	0.5
219.10176	1.5
225.09079	69.2
226.09384	3.0
227.07011	0.9
227.10532	2.9
228.07831	1.3
229.04883	2.4
229.08566	39.1
230.08977	1.7
231.06497	1.0
235.07477	0.7
242.05714	1.7
243.06366	1.3
243.10156	22.6
244.10384	0.9
245.08060	5.6
245.11717	4.9
247.09682	3.7
253.08612	8.0
253.19499	0.8
261.11185	1.4
271.09634	42.3
271.14328	1.5
271.20535	3.2
272.09973	1.3
289.10657	23.8
290.10977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1068
Annotation	Columbianetin acetate
Peak:m/z	Relative Intensity
54.08119	0.2
55.01852	0.5
55.05492	0.9
67.05479	0.4
68.99772	0.7
69.07045	0.3
69.74081	0.8
71.04950	0.4
77.03910	0.5
79.05463	0.9
81.07041	1.0
83.04966	0.3
87.00824	2.2
88.11224	0.7
91.05444	0.9
93.07030	0.8
95.04962	0.4
95.08578	0.5
97.06513	2.1
103.05434	1.1
105.07012	0.7
109.10178	0.2
111.07945	0.3
112.57183	0.3
115.05422	1.7
117.06991	0.9
118.51401	0.2
119.08533	0.4
122.06011	0.3
123.04433	1.4
123.06810	0.5
124.07593	1.2
128.06192	0.7
129.06996	1.6
131.04904	1.9
131.08531	0.6
135.04390	0.3
136.07559	16.2
138.09129	8.4
139.05452	0.4
140.07069	0.3
141.03264	0.7
141.06992	1.2
142.07768	0.6
143.04906	4.2
143.08562	0.4
144.05653	0.6
145.06459	1.4
145.10123	1.1
147.04393	1.0
149.05980	2.1
152.07095	1.6
153.07001	1.8
154.07722	0.9
155.04924	1.3
155.08536	10.9
156.08826	0.3
157.06456	0.8
157.10109	0.7
158.07266	0.6
159.04402	3.5
159.08006	0.5
159.11655	0.6
160.05051	1.9
161.05939	2.3
161.13197	0.2
163.03909	0.5
164.07045	21.8
165.05600	0.4
165.06961	2.9
167.04865	0.3
168.05695	3.6
169.06494	1.4
169.10121	1.5
169.13347	0.7
170.11746	0.4
172.05211	0.5
172.08951	0.2
173.05971	7.9
173.09554	1.3
174.03105	1.0
174.06555	0.3
175.03882	1.1
175.07518	0.7
177.05481	0.8
179.08525	0.7
179.14314	0.3
181.06487	0.6
182.07190	0.4
183.04414	0.7
183.08026	11.7
184.08453	0.6
185.05956	0.9
185.09605	2.2
186.06737	2.9
187.03868	17.3
187.07460	3.4
187.11206	0.6
188.04277	0.6
191.03296	0.3
191.10645	1.7
193.04926	1.4
193.06429	0.4
196.05164	2.6
197.05945	0.4
197.09619	1.3
200.04660	5.9
201.05446	2.6
201.09076	20.0
202.09599	0.7
203.03389	0.9
203.10623	2.9
205.04999	0.6
211.03954	0.3
211.07512	7.2
212.08057	0.4
214.06230	3.7
215.10649	5.9
215.13818	0.4
217.08607	0.4
219.10126	1.8
225.09073	1.2
227.10590	0.5
229.04872	3.6
229.08565	100.0
230.08902	3.8
230.13901	0.4
243.10121	3.4
245.08012	0.9
245.11769	1.0
247.09674	0.7
261.11172	4.7
261.13770	0.3
271.09625	3.2
271.16449	0.5
289.10663	9.9
290.10968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57569	0.4
54.36342	0.3
55.73072	0.3
56.96558	1.7
57.87401	0.3
62.14320	0.4
69.03416	0.5
71.04999	0.4
97.02882	0.3
98.97552	2.3
99.04427	0.5
110.97550	0.5
116.98618	1.6
126.19921	0.3
127.03883	2.5
128.98616	0.7
130.93268	0.7
134.99660	0.5
146.99684	0.6
153.01877	0.7
154.97762	0.4
172.94327	1.3
190.95375	1.0
207.01578	0.4
208.96255	0.4
216.96939	0.5
246.97932	1.0
264.98938	0.9
278.71515	0.4
289.09058	8.5
289.12503	100.0
290.09854	0.7
290.12848	3.7
298.07761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.4
55.05499	11.2
57.03442	3.2
57.32353	2.5
59.65350	2.9
67.05492	12.7
68.99799	2.6
69.03425	5.5
69.07056	15.4
71.04978	9.3
79.05492	22.7
81.03376	3.0
81.07056	48.7
83.04964	13.8
83.08620	6.9
85.06546	6.5
91.05463	20.0
93.07032	51.0
95.04965	18.5
95.08592	25.7
97.06518	35.5
99.04447	16.6
104.88295	2.9
105.07023	44.2
107.04942	6.1
107.08572	29.3
109.06486	29.4
109.10123	6.6
111.08068	19.8
112.51553	2.6
113.05997	4.5
117.06997	5.8
119.08586	19.6
121.06494	91.0
121.10132	7.8
123.04473	5.8
123.08003	5.2
123.11671	10.1
124.07565	6.8
125.05982	8.7
127.07534	13.9
129.07016	9.8
131.08560	8.2
133.06468	6.7
133.10103	19.4
135.08049	11.9
137.05978	6.3
139.07530	22.8
141.06973	6.7
143.06973	5.8
143.08531	8.1
145.06442	4.5
145.10127	11.8
147.08075	7.1
147.11676	48.7
149.13194	4.0
151.11206	7.1
153.01793	3.2
153.06941	5.3
154.07649	3.2
154.71288	2.8
155.08560	15.0
156.09312	3.9
157.06490	4.3
157.08600	11.1
157.10095	17.9
159.06667	3.8
159.08064	11.2
160.05209	5.4
161.05963	11.7
161.13196	7.6
165.06950	8.2
165.12776	15.8
169.06364	5.1
169.12228	12.2
171.11644	13.8
173.05981	16.0
173.09651	9.4
175.07571	9.1
175.11188	30.8
179.08534	12.8
181.10130	6.7
183.08066	22.1
185.09567	8.1
187.07521	36.2
189.05437	7.7
189.09079	13.2
189.12695	26.2
193.04909	5.9
193.12225	30.6
197.05898	4.3
197.09612	8.4
199.07532	5.9
199.11224	23.4
201.09082	100.0
202.09438	3.2
203.10681	3.7
207.08023	11.4
207.13821	17.7
210.06729	8.5
211.07544	40.8
211.13275	30.2
212.08257	4.5
215.10641	7.6
216.04166	3.9
217.04942	3.9
217.08908	5.0
217.12215	88.4
218.12599	5.8
225.09061	74.5
227.07024	4.4
227.10634	5.7
229.08601	23.4
229.14333	7.5
235.13274	76.4
243.10089	22.2
245.08025	10.0
245.11662	6.5
253.08556	9.2
253.14297	31.0
271.09644	43.3
289.10709	15.7
289.19501	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	16.4
55.05502	12.6
67.05507	21.6
69.03433	9.2
69.07066	20.9
70.80054	6.2
70.82537	9.2
70.82881	7.7
71.04991	16.3
77.76870	7.4
79.05495	28.8
81.07058	49.9
83.04961	15.1
85.06535	14.0
91.05492	22.3
93.07041	68.1
95.04981	25.8
95.08585	31.9
97.06520	38.1
98.23341	7.8
99.04456	18.8
105.07043	32.8
107.08572	41.3
109.06494	37.9
109.10159	9.4
111.08099	12.1
113.05972	8.7
119.08559	34.3
121.06499	80.1
121.10140	8.1
123.04465	9.9
125.05990	8.5
127.07536	11.1
129.06990	13.1
131.08633	7.9
133.10150	21.6
135.04419	8.9
135.08003	11.6
136.28578	8.2
137.05965	11.1
139.07539	34.1
143.07082	16.0
143.08566	8.3
147.11678	49.9
153.06984	8.8
155.08524	10.5
156.09258	8.4
157.08635	20.2
157.10115	21.3
159.07887	7.0
161.06024	17.4
161.13264	16.9
165.06943	13.6
165.12738	19.6
166.07787	8.3
169.12210	8.6
171.11751	12.1
173.06017	12.0
173.09592	8.4
175.07567	10.0
175.11211	35.3
179.08583	8.9
183.07993	9.8
187.07561	21.7
189.05475	6.8
189.09120	25.3
189.12759	21.0
193.12196	41.9
199.11166	33.3
201.09071	52.9
207.13838	18.7
211.07549	39.4
211.13210	35.8
215.10666	11.9
217.12206	100.0
217.14130	9.0
218.12553	7.1
225.09050	39.5
229.08582	42.7
235.13289	84.0
243.10170	28.4
247.09775	7.6
253.14336	27.3
271.09497	32.5
289.10641	17.5
289.15207	8.1
289.18146	13.7
305.43066	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.8
57.07071	100.0
58.07412	1.1
58.99821	0.9
65.06110	0.8
67.05504	3.1
69.07067	2.0
72.04505	18.8
72.04867	1.4
75.56184	0.9
79.05491	3.9
81.07060	3.9
83.08591	1.3
85.06519	1.1
91.05476	10.8
93.07048	3.4
95.08627	2.4
98.23518	2.1
98.98457	0.8
100.07610	47.1
105.07019	13.3
107.08603	2.6
116.05331	2.0
117.07030	2.7
119.08568	8.4
121.10148	2.5
131.08553	3.5
133.10110	11.5
143.08609	1.4
145.10126	2.1
147.11671	4.4
156.13823	60.5
159.11668	2.2
161.13255	1.7
172.11539	1.5
173.13239	2.0
239.17850	1.1
275.35999	0.9
289.18066	3.9
289.21631	17.9
290.21750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.01841	0.7
55.05256	1.2
55.05506	16.1
55.05770	0.6
57.07064	1.3
59.04984	2.1
62.76220	0.6
65.03929	1.2
67.05492	15.2
69.07061	11.4
69.29477	3.2
69.29884	1.1
71.04982	1.2
73.06541	1.6
75.08474	0.7
79.05486	20.4
80.42897	0.7
80.97997	0.7
81.07046	21.4
83.04967	1.2
83.08619	6.4
85.06525	4.3
87.08105	0.7
87.26610	0.8
91.05473	49.6
92.05819	0.9
93.07037	16.2
95.04955	3.2
95.08599	13.9
97.06509	2.3
97.10103	1.1
99.08073	0.9
100.13028	0.7
103.05439	2.1
104.06192	0.8
105.04529	1.1
105.07021	65.9
106.07383	1.3
107.08582	8.9
109.06507	1.9
109.10155	5.4
111.08082	1.5
115.05443	1.5
117.06182	0.8
117.07011	13.7
118.07794	0.8
119.08570	51.3
120.08878	1.3
121.06487	1.6
121.10130	6.3
123.08063	1.4
123.11708	1.3
125.09622	0.9
129.06982	3.8
131.08556	20.7
132.09329	1.1
133.10114	37.4
134.10487	0.9
135.11667	2.6
141.06931	1.9
142.07809	0.9
143.08560	2.7
145.10114	16.6
146.10762	0.8
147.08022	1.2
147.11670	25.5
148.12051	1.1
149.09581	1.9
149.13176	0.9
155.08530	2.2
157.10077	4.9
159.08086	0.9
159.11678	16.4
161.09685	0.7
161.13252	12.4
163.11176	1.1
169.10071	3.8
171.11674	4.5
173.09567	1.2
173.13223	12.9
175.11217	1.9
175.14839	2.5
183.11635	4.6
185.13242	1.3
187.11174	2.5
187.14810	1.7
189.12756	1.0
197.13213	4.2
199.14818	0.9
201.12717	2.4
209.13286	0.8
211.14774	2.1
213.16394	1.8
213.74406	0.7
215.14381	1.5
215.17920	4.3
225.35846	0.9
229.15932	1.5
229.19543	2.1
239.17953	6.2
257.18961	11.9
257.86902	0.7
289.21582	100.0
290.21906	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	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
50.71697	0.9
54.29271	0.8
55.01855	1.6
55.05508	16.7
55.33131	0.8
58.17361	0.8
59.04989	2.2
65.03934	1.7
67.05500	17.5
69.03424	1.7
69.07063	12.4
69.73330	2.1
69.73705	1.7
71.12577	0.8
73.06549	2.5
79.05487	19.6
81.07049	20.9
83.04976	1.3
83.08608	5.6
85.06545	4.9
91.05472	45.0
93.07038	16.5
94.07374	1.0
95.04958	3.3
95.08597	11.8
97.06516	1.1
97.10176	1.3
98.23403	1.4
99.08059	1.3
101.06023	1.0
103.05414	1.9
105.07022	63.5
106.07368	2.1
107.08582	9.4
109.06482	1.6
109.10163	4.4
111.08073	1.1
115.05411	1.2
117.07008	14.1
119.08572	48.4
121.10096	5.5
129.06993	3.9
130.07776	0.9
131.08556	18.6
132.09343	1.1
133.10120	39.1
135.08084	2.4
135.11696	1.6
137.09581	1.2
141.06961	2.1
143.08582	3.1
145.10104	17.8
146.10635	1.1
147.11671	23.5
149.09592	1.8
155.08534	1.8
157.10118	5.6
159.11661	15.3
161.09645	1.2
161.13226	11.9
163.11176	2.0
169.10110	2.6
171.11665	5.2
173.09578	1.2
173.13268	14.1
175.11278	1.1
175.14844	2.1
176.82364	1.0
183.11652	2.8
185.13382	1.8
187.11174	2.3
187.14833	2.3
195.13853	1.0
197.13264	2.9
201.12753	2.6
211.14801	2.2
213.16336	1.9
215.14235	1.7
215.18010	3.0
229.15868	1.3
229.19528	2.0
239.17949	7.0
257.18988	11.3
289.21588	100.0
290.21945	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
51.67816	1.2
55.01857	2.2
55.05511	21.7
59.04989	4.6
65.03911	2.3
67.05499	22.6
69.07063	16.5
70.53578	2.2
73.06519	1.5
79.05488	19.8
81.07047	22.2
83.04939	2.0
83.08630	7.0
85.06561	6.5
91.05471	57.8
93.07040	20.4
95.04956	3.9
95.08599	18.6
97.06524	1.4
97.10183	2.1
99.08064	2.0
103.05456	2.7
105.04463	1.9
105.07022	78.8
107.08587	13.5
109.10136	7.1
111.08065	1.8
113.93668	1.1
115.05396	2.2
116.06300	1.5
117.07012	16.9
118.26566	1.2
119.08572	61.6
121.10105	6.3
121.18997	1.2
123.08030	2.2
123.85542	1.2
129.06987	5.4
131.07649	2.2
131.08559	24.7
133.10124	53.7
135.08023	1.8
135.11682	3.4
141.06992	2.7
143.08565	4.3
145.10126	22.2
147.08054	1.8
147.10538	1.1
147.11667	29.0
147.12836	1.5
149.13264	2.0
151.11124	1.6
155.08514	4.7
157.10156	6.7
159.11684	16.8
161.09602	1.5
161.13232	10.8
163.11223	1.4
169.10088	3.4
171.11676	5.0
173.13252	14.9
173.49831	1.2
175.11206	2.3
175.14917	2.0
183.11711	5.3
185.13295	1.3
187.11177	1.8
187.14882	2.8
197.13177	6.0
201.12801	2.5
207.13878	1.3
215.14252	1.9
215.17990	3.7
229.19432	1.8
239.18019	7.0
247.17068	1.3
257.19034	11.7
289.21582	100.0
290.21927	3.8
290.26669	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46624	8.5
56.96558	92.7
70.06595	27.6
81.03423	14.6
84.96035	18.9
86.09704	54.5
88.99138	9.0
98.97567	100.0
98.98470	10.3
116.98607	93.5
123.04419	39.8
124.99066	16.4
134.99635	43.9
139.01543	9.7
139.03864	47.3
141.06331	9.1
143.00175	41.3
147.04395	12.3
152.27745	10.5
161.01216	66.6
173.12859	23.0
177.00645	15.3
179.02319	13.2
182.99707	8.2
187.14392	36.8
189.00731	12.7
194.88611	9.3
205.00122	16.5
217.60471	9.2
223.01259	21.5
267.00250	10.7
290.94742	63.1
291.12848	27.4
309.04984	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02373	0.3
53.03938	0.5
55.01864	2.2
55.05492	0.5
62.24733	0.3
65.03938	1.5
67.01860	0.3
67.05501	1.9
68.99773	2.1
69.39617	0.3
77.03917	0.5
78.00563	0.3
83.04984	1.3
84.13403	0.4
85.02927	0.3
91.05477	2.5
93.03416	2.1
93.52231	0.3
95.04958	3.2
97.02871	0.9
105.03398	0.9
105.07031	0.6
107.04922	0.8
111.04446	4.0
115.05445	1.4
119.04165	0.7
119.04944	8.4
121.02841	0.4
121.63413	0.4
123.04421	73.0
124.04747	1.9
127.03915	1.4
131.04918	0.6
133.06461	1.5
135.04375	0.6
137.02324	1.2
137.05933	1.2
139.03888	100.0
140.04228	2.2
143.04901	3.3
147.04398	23.2
148.04759	0.8
149.05933	0.5
151.03902	2.8
153.05493	0.7
159.04395	0.6
161.04695	0.7
161.05972	9.2
163.03925	2.2
165.05461	13.3
167.31320	0.3
169.04987	1.9
177.05426	1.0
179.07018	2.7
181.04933	1.0
189.05498	2.3
206.32979	0.4
207.06506	6.2
249.07486	1.3
266.96539	0.4
273.07477	1.3
291.08600	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	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.66259	0.4
53.99808	0.4
55.01863	1.9
55.05498	0.6
56.96565	0.7
57.03429	0.4
59.04990	0.4
65.03948	1.5
67.05502	2.1
68.99772	2.1
69.03433	0.7
69.76318	1.7
73.67281	0.4
77.03918	0.7
81.03446	0.5
83.04985	1.5
85.02936	0.6
91.05480	2.3
93.03406	1.0
95.04961	4.2
97.02904	0.6
98.23006	1.4
98.98454	1.0
105.03412	1.0
105.07020	0.9
107.04964	1.1
111.00809	0.6
111.04431	4.3
115.05460	1.6
116.98675	0.4
119.04156	0.7
119.04946	7.2
123.04421	75.3
124.04760	1.7
127.03880	1.5
129.05484	0.8
133.06493	1.1
134.99706	0.8
135.04372	0.6
137.02332	1.5
137.05952	1.2
139.03891	100.0
140.04216	2.2
143.04916	3.0
147.04399	24.4
149.02391	0.4
151.03912	2.7
151.07483	0.6
153.05455	0.9
161.05965	9.1
163.03918	2.4
165.05466	14.5
169.04921	1.5
174.06728	0.4
177.05487	1.1
179.06979	3.5
181.05014	0.6
189.05516	2.3
207.06535	6.9
245.08151	0.6
249.07486	1.2
261.08542	0.5
269.72852	0.4
270.15741	0.4
273.07529	1.0
291.08499	5.2
291.13193	0.9
309.07465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01867	0.8
56.96566	1.3
57.03426	1.4
57.49059	0.4
59.01372	0.5
59.04995	99.9
60.05333	0.9
61.02923	1.0
66.33023	0.5
67.46430	0.4
69.03423	13.2
69.33522	2.3
71.04988	1.6
73.02917	1.3
81.03405	6.3
81.03841	0.7
81.61166	0.5
85.02898	8.0
87.04441	3.7
97.02882	10.5
98.23531	0.5
98.97569	0.8
99.04443	3.4
101.06013	19.6
103.39651	0.5
109.02860	3.7
115.03921	12.8
116.98590	0.5
119.04919	0.7
123.04419	4.1
127.03909	4.8
128.98564	0.7
129.05463	100.0
130.05792	0.8
139.03905	6.0
143.45064	0.5
145.04944	2.1
147.04388	2.1
147.06516	3.4
154.33255	0.5
161.23445	0.4
165.05469	0.9
188.07079	0.7
200.44249	0.4
245.12914	0.9
255.01924	0.7
259.07916	0.5
273.02908	1.1
273.09717	0.7
273.12265	1.3
290.94556	0.6
291.13272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1072
Annotation	Osmundalin
Peak:m/z	Relative Intensity
53.03940	1.8
55.01865	0.9
55.05506	0.7
57.03431	2.4
59.04995	100.0
60.05328	0.8
61.02909	0.9
65.37434	0.5
67.05507	0.6
69.03420	13.5
71.04990	1.8
72.08157	1.0
73.02911	0.9
76.09532	0.5
79.05509	0.6
81.03403	6.1
81.07066	1.3
83.04967	0.8
85.02906	8.2
87.04459	4.2
91.05473	1.6
93.07059	1.1
95.08581	0.7
97.02880	9.4
99.04448	3.8
101.06005	20.8
105.07034	0.9
107.04954	0.6
107.08598	0.8
109.02876	4.3
111.04436	1.2
115.03915	9.3
119.04943	2.0
123.04416	14.1
123.05276	1.0
124.04784	0.6
127.03904	5.4
129.05463	95.8
130.05785	1.5
139.03885	23.0
140.04088	0.7
140.68887	0.6
145.04961	1.2
147.04373	6.7
147.05321	0.8
147.06425	3.2
151.83658	0.6
161.05952	1.5
165.05472	3.1
169.05002	0.7
177.05406	0.7
179.06998	1.2
189.05418	0.8
190.89473	0.6
204.10117	1.1
207.06523	2.1
255.11082	0.7
267.66290	0.8
273.09711	1.1
273.12268	1.5
291.01114	0.6
291.08493	1.7
291.13580	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	291.1072
Annotation	Osmundalin
Peak:m/z	Relative Intensity
53.03944	1.1
55.01874	0.3
55.05507	0.4
57.03434	1.3
58.89325	0.3
59.01359	0.6
59.04997	100.0
60.05337	0.9
69.03426	10.1
71.04990	1.1
71.43440	0.3
73.02908	0.6
81.03410	5.9
83.49832	0.3
84.04462	0.3
84.08149	0.9
85.02901	6.7
87.04460	2.7
88.11247	0.6
89.85186	0.3
95.49883	0.3
97.02881	4.1
99.04442	2.9
101.06012	19.1
105.07030	0.4
109.02855	2.9
110.66764	0.3
115.03927	6.5
117.07047	0.4
121.93889	0.4
127.03918	3.6
127.58040	0.3
129.05466	87.9
130.05815	1.3
130.08852	0.3
132.08427	1.0
132.88518	0.3
139.03888	0.4
142.95544	0.3
145.04932	0.5
147.04291	0.4
147.06522	1.4
245.12944	0.5
273.09708	1.7
273.12241	0.4
276.07956	0.4
291.09995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01858	4.2
55.05266	1.9
55.05510	10.5
55.61894	1.9
57.03423	6.1
57.07059	1.9
58.85606	2.2
59.05001	2.0
61.02929	6.3
63.78291	1.9
67.05496	6.4
69.03436	16.7
69.06152	11.4
69.07068	86.2
70.06572	2.2
70.33267	1.8
71.04991	5.6
73.02912	3.1
76.72672	1.9
79.05471	4.4
81.03410	13.0
81.07049	9.8
83.05008	4.5
83.08609	4.4
85.02906	100.0
85.06535	5.7
87.04458	3.0
88.11272	2.9
91.05479	7.9
93.07040	8.9
95.04963	4.4
95.08594	5.2
97.02885	17.9
97.06591	2.6
98.23456	3.5
98.97577	2.8
98.98429	3.7
99.04450	4.6
99.08105	2.7
105.07034	6.8
107.04962	2.3
107.08626	7.4
109.02876	10.0
109.06516	3.2
109.10146	7.3
111.04459	10.6
111.08074	26.7
111.11719	28.2
115.03922	2.0
119.08593	4.8
121.06525	2.6
123.04423	7.7
123.11698	4.5
125.09597	3.8
127.03921	15.5
127.11209	8.4
129.05467	5.6
129.12762	17.1
130.04913	2.3
131.08565	4.2
133.06506	2.0
133.10139	5.5
135.08067	4.1
135.11668	2.6
137.09685	2.6
139.03889	8.1
139.07594	2.7
139.11151	4.5
141.12740	13.2
143.08588	3.9
145.04979	8.0
147.04411	3.0
147.11716	5.3
149.09630	3.6
151.07509	5.3
151.11232	3.2
159.08055	2.7
159.11711	3.4
161.05882	3.1
161.09619	2.6
163.03929	3.1
163.06018	2.1
163.07407	2.7
163.11217	3.5
165.12663	3.3
169.12233	4.0
174.06744	2.3
175.07542	4.3
177.12703	3.8
179.03487	2.0
179.10640	4.2
186.03149	2.3
195.08072	2.5
197.11722	3.7
199.74431	2.0
200.12811	3.8
201.12794	2.3
207.13901	2.4
213.09215	2.5
215.14961	2.0
217.01227	2.6
217.08646	2.1
219.13802	6.5
221.00821	5.3
229.04977	4.8
237.14890	8.3
255.16000	4.1
273.03867	3.1
273.11517	2.8
273.17029	4.2
291.01831	3.0
291.05096	15.8
291.12506	7.1
291.17859	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	291.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.1
55.05506	12.5
57.03427	6.3
59.04988	44.8
59.44510	2.9
60.16735	3.5
61.02917	5.1
67.05480	4.5
69.03423	22.8
69.07056	88.9
69.59616	13.3
71.04996	5.5
81.03407	12.8
81.07047	7.7
83.04956	4.8
83.08591	8.6
84.08128	5.5
85.02892	100.0
85.06532	8.9
91.05474	4.5
93.07038	9.3
95.04959	4.2
95.08615	3.7
97.02865	18.0
99.04440	9.3
99.08084	6.5
101.05991	5.7
105.07017	7.1
107.08580	7.7
109.02848	11.7
109.06519	5.0
109.10122	8.4
111.04411	5.4
111.07361	4.2
111.08040	26.8
111.11699	26.6
115.03883	5.6
121.06469	3.2
123.11673	4.5
125.09642	4.5
127.03860	19.2
127.11190	5.6
129.05466	34.9
129.12723	17.3
131.08607	3.5
132.08266	3.9
132.10155	3.4
135.11618	4.4
139.03841	4.4
139.07518	3.7
139.11113	5.4
141.12715	14.9
143.08543	3.4
145.04955	11.4
145.10095	3.3
147.11652	6.2
147.98572	3.1
161.09622	4.4
169.12134	3.0
179.10706	3.6
195.13766	3.9
219.13759	10.8
225.14915	3.4
237.14713	7.7
245.12755	3.8
255.15829	6.3
273.12204	5.2
273.17001	7.4
291.13321	8.0
291.18369	5.6
310.21393	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03949	1.9
55.01857	3.9
55.05508	15.1
56.96571	2.3
57.03437	4.1
57.07069	3.3
59.05006	2.2
67.05484	11.0
68.23586	1.7
69.03416	4.4
69.07052	3.9
71.04993	2.8
79.05497	20.9
81.07050	15.9
83.04984	5.0
83.08607	12.2
85.06533	3.0
91.05466	12.7
93.07049	16.8
95.04965	15.9
95.08605	19.4
97.06522	6.0
98.97632	2.7
99.08107	2.4
105.07018	14.8
107.04956	20.4
107.08569	14.1
109.06522	10.4
109.10165	3.9
110.57973	1.8
111.08084	45.4
113.09610	2.3
117.06995	4.6
119.08587	14.0
121.06551	2.9
121.10133	10.2
123.08054	37.6
125.09612	4.8
129.07056	2.7
131.08537	7.1
133.06500	4.1
133.10133	9.3
135.08049	12.7
135.11711	3.2
137.09613	6.8
140.56412	1.8
145.10138	10.6
147.08046	6.1
147.11684	8.0
149.09589	10.8
151.07532	100.0
157.10114	7.3
159.07997	4.8
159.11639	2.7
161.09612	5.5
163.11172	6.4
171.11604	4.6
173.13278	6.3
175.11142	4.4
177.09125	2.7
179.10663	6.1
189.12735	29.8
191.14307	10.7
192.11520	3.3
197.11719	13.9
197.13237	2.9
207.13794	64.0
208.14041	2.2
213.16319	3.6
215.14288	4.1
217.12244	3.4
217.15799	2.7
223.48888	1.9
231.08702	2.1
233.15353	34.0
255.69965	1.9
269.10593	4.0
273.18390	14.4
287.11496	3.4
291.19547	54.8
291.27240	5.3
292.19824	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02364	1.9
53.03931	3.7
55.01867	14.4
55.05254	3.0
55.05505	38.5
57.03424	4.9
57.07068	2.0
57.09994	1.6
59.04984	2.8
65.03915	2.1
67.05493	37.4
69.03422	7.3
69.07059	15.6
69.85921	3.7
69.86234	1.9
71.04971	5.1
77.03925	1.6
79.05485	73.0
79.05948	3.5
81.03398	3.5
81.07048	73.3
83.04958	5.2
83.08611	16.1
85.06522	2.5
91.05469	56.7
93.07037	46.2
95.04956	27.8
95.08588	22.2
97.06519	4.0
97.10162	17.4
103.05448	3.1
105.03369	4.0
105.04499	5.9
105.07021	41.1
107.04944	19.8
107.08579	26.4
109.06525	10.5
109.10127	9.0
111.08039	6.9
115.05425	5.4
116.06230	3.5
117.07010	43.7
119.04946	5.4
119.08568	65.4
121.06502	22.2
121.10141	13.4
121.61926	1.6
123.08052	9.4
125.09634	16.0
128.06187	5.4
129.06982	18.9
130.07782	4.6
131.04936	1.7
131.08554	37.9
131.09467	3.2
133.06509	8.8
133.10120	10.5
135.08035	14.8
135.11671	5.1
137.09511	2.7
141.06943	2.7
142.07779	2.7
143.08537	17.5
145.06436	2.4
145.10107	40.8
147.08035	38.6
147.11690	4.4
149.09641	9.1
151.07475	7.6
155.08546	2.4
157.06427	1.9
157.10138	12.9
159.08060	3.9
159.11703	12.9
161.09587	13.5
163.11180	6.8
164.94127	1.6
169.10130	4.3
171.11694	6.8
173.09633	2.5
173.13251	2.5
175.11172	6.3
176.90300	1.6
177.09128	3.4
183.11688	2.5
185.13235	6.2
187.11157	2.8
189.11214	5.2
189.12711	2.6
195.11661	4.3
197.11671	2.6
199.11174	1.6
199.14745	2.3
207.13821	5.1
223.13144	4.0
227.17857	5.0
231.13658	2.0
237.16278	4.9
245.18987	4.2
249.14795	17.0
255.17413	6.2
273.18442	62.6
274.18869	2.7
291.19513	100.0
291.27115	5.1
292.19809	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02357	1.1
53.03940	5.5
55.01866	15.7
55.05255	1.6
55.05505	20.9
56.05024	2.8
57.03224	0.9
57.03436	10.1
57.05367	1.2
57.07058	3.4
58.06589	1.4
58.07398	1.1
59.04991	1.3
59.06934	0.9
64.61224	0.9
65.03927	3.7
67.05498	46.8
68.05851	1.0
69.03419	4.9
69.07061	10.2
69.29217	1.9
69.29627	3.3
71.04998	3.0
71.08632	2.0
74.06087	1.8
75.65844	0.8
77.03928	1.8
79.05483	62.2
81.03404	7.0
81.07048	100.0
82.07374	1.7
83.04974	6.3
83.08600	7.1
85.06543	2.7
88.07617	9.7
89.07941	2.6
91.05471	36.4
93.06441	1.7
93.07032	30.0
95.04961	54.0
95.08588	14.4
97.06525	4.6
97.10181	4.9
98.22725	2.3
99.08149	1.0
103.05463	1.3
105.03390	1.8
105.04507	3.2
105.07020	26.0
107.04941	17.2
107.08576	20.7
109.06507	98.8
109.10133	5.3
110.06824	1.5
111.08056	3.4
115.05441	3.0
116.06214	1.3
116.15653	1.0
117.07007	15.5
118.08685	1.7
118.96778	0.9
119.04943	3.3
119.05964	1.5
119.08571	19.3
121.06491	11.8
121.10119	8.0
122.08127	1.6
123.04408	1.2
123.08051	5.0
123.11684	1.2
125.09659	2.7
126.95285	0.9
128.06200	2.6
129.07004	7.6
130.07771	2.1
131.08556	18.0
133.06480	5.5
133.10097	6.5
135.08040	46.1
135.11670	4.5
136.08372	1.3
137.05898	1.1
137.09592	2.3
139.07527	1.0
141.06953	1.4
142.07758	1.7
143.08545	9.6
145.06476	1.9
145.10107	14.1
147.08035	9.9
147.11687	3.2
149.09601	11.8
149.13229	1.7
151.07509	1.4
157.10115	6.8
159.08025	3.2
159.11652	6.3
161.09589	9.5
161.13313	1.3
163.11172	5.5
165.09154	1.3
169.10161	2.1
171.11670	4.2
173.09599	2.0
173.13203	1.6
175.11150	2.4
177.12749	1.8
185.13280	2.1
187.11171	1.5
189.11108	1.2
189.12657	1.5
191.10614	1.4
195.11693	1.2
199.11162	1.3
199.14796	1.5
201.12793	1.1
213.12611	1.1
217.15826	7.3
227.17923	1.7
237.16368	1.2
243.25093	8.9
245.18922	2.7
249.14827	6.1
255.17433	2.3
273.18460	26.2
274.19098	1.0
291.19504	52.8
291.27130	27.6
292.19815	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.27053	4.4
53.03936	7.4
55.01862	17.7
55.05503	32.1
56.52385	4.8
57.07063	5.9
67.05495	45.2
69.03419	7.2
69.07059	17.5
69.93719	8.9
69.94051	4.6
71.04977	11.0
79.05474	51.1
81.03394	17.7
81.07047	69.1
83.04974	9.7
83.08596	9.8
85.06518	6.3
91.05462	52.0
93.07037	49.9
95.04959	26.6
95.08598	60.5
97.06535	6.2
97.10152	5.9
103.05434	4.1
105.07002	46.7
107.04925	26.2
107.08556	35.7
109.06502	12.3
109.10129	21.6
111.04432	4.6
111.08049	6.4
117.07011	19.7
119.08545	32.7
119.09194	3.4
121.06489	21.0
121.10145	14.6
123.04376	3.4
123.08053	14.4
123.11688	4.5
125.06059	4.6
129.06981	15.5
131.08537	30.5
132.98737	4.4
133.06470	11.7
133.10118	27.2
135.08052	23.4
135.11647	7.4
139.07523	6.0
143.08525	9.3
145.10121	21.4
147.08070	14.6
147.11667	9.7
149.09604	21.4
149.13335	4.1
151.11182	8.2
157.10162	10.5
159.11676	7.4
161.09622	14.8
161.13181	5.8
163.11102	6.2
166.25555	3.5
171.11696	6.3
173.09628	3.6
175.11078	7.9
177.09122	6.3
185.13240	4.5
195.11765	4.0
199.11127	5.0
227.17909	7.6
237.16452	3.9
245.18964	12.4
255.17421	9.4
263.20117	8.3
273.18405	56.0
291.19492	100.0
291.27109	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	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03929	0.4
55.01624	0.2
55.01868	2.2
55.05506	8.1
55.97924	0.2
56.93950	0.2
57.03418	0.4
57.07048	0.3
59.04982	0.4
65.03929	0.4
67.05161	0.4
67.05499	4.6
69.03417	0.9
69.07059	3.1
71.04988	0.9
77.03917	0.2
79.05483	7.2
80.06277	0.2
81.03399	0.8
81.06556	0.3
81.07046	6.3
83.04975	1.1
83.08616	3.7
85.06528	0.3
91.05473	6.0
93.07034	6.1
94.04169	0.4
95.04952	3.3
95.08588	2.7
96.55916	0.2
97.06506	0.6
97.10159	2.8
99.08090	0.2
103.05447	0.4
105.03365	0.2
105.04501	0.5
105.07017	6.0
107.04939	3.6
107.08578	3.1
108.05732	0.3
109.06516	1.0
109.10123	0.8
111.08064	0.6
115.05414	0.7
116.06195	0.6
117.07004	2.4
118.04160	0.2
119.04934	1.7
119.08561	5.0
119.09413	0.3
120.05701	0.6
121.06460	1.4
121.10134	1.3
123.08002	0.9
123.11617	0.2
125.09624	1.4
128.06239	0.3
129.07002	1.4
130.07756	0.7
131.08559	2.2
132.05672	0.2
133.06464	3.5
133.10114	1.3
134.07253	1.2
135.08031	1.5
135.11687	0.6
137.09601	0.5
143.08540	1.3
145.06470	0.4
145.10110	1.9
146.07178	0.3
147.08029	3.8
147.11690	0.6
148.08781	0.3
149.09619	1.1
157.10048	0.8
159.07980	0.3
159.11682	0.6
161.09653	1.0
162.10347	1.2
163.11188	0.8
165.09108	0.5
169.36954	0.2
171.11664	0.5
175.11122	1.1
185.13254	0.2
189.11263	0.3
189.12772	0.3
217.15883	0.2
223.13222	1.2
228.90407	0.2
245.18892	0.3
249.14836	2.3
255.17345	0.2
261.14883	0.2
262.15668	0.4
263.16382	0.4
273.18521	2.9
274.18942	0.2
291.19504	100.0
292.19855	4.6
292.23193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03937	0.6
55.01870	2.7
55.05263	0.5
55.05509	8.5
57.03406	0.7
57.07050	0.6
58.29295	0.4
65.03932	0.6
67.05498	5.9
69.03414	1.4
69.06873	2.1
69.07061	3.0
71.04980	0.9
79.05034	0.8
79.05486	7.5
79.70348	0.4
81.03397	0.5
81.07049	8.5
83.04972	1.8
83.08607	4.2
91.05471	7.1
93.07030	7.2
95.04972	3.0
95.08601	3.1
97.06506	0.9
97.10172	3.5
98.22599	0.7
105.04508	0.6
105.07020	6.9
107.04954	2.6
107.08590	3.9
107.58410	0.4
109.06511	1.3
109.10136	1.2
111.08073	0.5
117.07018	3.3
119.04939	1.8
119.08575	5.3
120.05708	0.9
121.06495	2.7
121.10115	1.5
123.08038	1.5
125.09627	1.5
128.06161	0.4
129.06978	1.9
130.07806	0.6
131.08546	4.6
133.06491	2.7
133.10138	0.7
134.07239	1.2
135.08041	1.7
135.11696	0.9
143.08546	1.3
145.10124	2.7
147.08017	3.6
147.11688	0.6
149.09615	1.4
149.13205	0.5
157.10168	0.7
159.11649	1.0
161.09621	1.4
162.10385	1.3
163.11198	0.9
165.09062	0.7
171.11635	0.6
175.11108	1.1
223.13271	1.0
245.18954	0.6
249.14845	2.2
261.14905	0.9
273.18414	3.9
291.19519	100.0
292.19827	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	291.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01870	14.1
55.05510	14.0
56.82855	4.9
57.03428	10.7
59.04992	21.4
67.05499	24.0
69.03426	15.8
71.04980	40.2
79.05480	14.9
81.03391	27.6
81.07037	36.9
83.04969	15.3
85.02908	30.8
85.06539	13.0
90.37913	4.8
91.05479	24.4
93.07033	48.1
95.04977	18.0
95.08594	29.0
97.02881	11.7
97.06530	9.7
97.10187	8.8
99.04444	5.5
99.08074	5.3
101.06036	5.7
103.05477	10.3
103.06134	5.2
105.07029	40.3
107.08558	34.1
109.02864	6.6
109.06533	9.0
109.10166	29.1
111.04458	16.4
111.90337	5.1
115.05511	10.1
117.07016	10.9
119.04918	8.7
119.08564	20.0
121.06506	7.1
121.10139	98.4
123.07990	5.2
123.11755	6.6
125.09647	28.0
127.11219	8.1
128.06178	8.9
129.05484	19.7
129.06998	9.6
131.04901	9.9
131.08546	9.5
131.63165	5.7
133.06531	7.3
133.10104	97.7
135.11687	10.0
137.05962	10.9
139.05304	5.4
141.06998	10.4
143.08588	7.0
143.10664	100.0
145.06480	14.9
145.10121	14.8
147.04375	8.3
147.08069	7.0
147.11714	9.1
149.05972	8.2
151.07497	40.7
151.11165	11.1
152.06203	6.9
155.08556	5.4
157.06516	12.9
159.08023	6.1
159.11664	25.2
161.05957	18.5
163.07544	12.2
164.42207	6.1
165.09094	6.5
165.95676	5.4
167.07053	6.1
167.08588	8.9
169.06483	15.7
171.08023	13.0
174.06732	6.6
175.07503	51.3
177.05501	10.1
177.09077	9.2
181.06427	5.8
185.05984	9.6
186.06792	6.0
187.07513	10.9
189.09058	7.7
189.16405	32.4
191.07047	8.4
193.08559	8.8
195.08043	10.7
196.05565	5.8
197.05943	8.0
201.09105	18.8
201.16368	8.2
203.07060	10.5
205.08525	5.3
207.17587	13.6
213.09001	6.9
217.08611	12.3
219.10139	6.9
219.17447	28.2
223.07495	8.6
227.10628	11.1
229.08647	18.5
237.18536	17.4
245.08090	18.5
245.11771	5.8
255.10196	8.3
255.19498	10.6
273.11450	18.2
291.12457	46.5
291.15387	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.74515	0.9
53.03945	2.7
55.01871	2.6
55.05507	22.2
57.07068	5.1
59.04993	2.1
67.05499	39.5
69.03428	1.1
69.07062	21.3
69.16714	5.9
71.04979	1.1
71.08630	1.9
73.06528	2.0
74.90610	1.1
77.03934	1.1
79.05486	53.9
81.07049	52.2
81.07555	1.1
83.04967	1.5
83.08600	11.1
83.71149	0.9
85.06091	1.0
85.06537	5.7
85.10191	1.0
89.57412	1.2
91.05470	43.5
93.07037	100.0
94.07379	1.3
95.04957	11.7
95.08599	32.1
96.08924	1.2
97.06522	4.5
97.10160	2.5
98.22728	2.6
99.08102	2.4
101.06013	2.4
105.04505	4.5
105.07020	34.0
107.04938	1.5
107.08585	48.5
109.06512	4.5
109.10134	9.8
110.18469	1.1
111.08089	3.2
111.11717	1.1
115.07598	2.0
117.06993	5.9
119.06062	1.4
119.08578	33.0
121.06518	3.7
121.10131	34.2
123.08070	4.2
123.11700	4.6
125.09647	1.2
127.07644	1.2
128.06209	1.5
129.07004	5.5
131.08543	9.1
133.10110	26.2
135.08067	4.5
135.11679	18.1
137.09586	2.5
137.13254	3.1
141.09135	1.6
143.08597	5.2
145.10130	9.4
147.08064	3.3
147.11673	24.4
149.09605	4.7
149.13255	19.3
151.11174	1.6
155.10722	1.5
157.10138	5.0
159.11694	3.5
161.09578	6.7
161.13229	16.5
161.14330	1.4
163.11172	3.2
163.14795	14.9
171.11658	10.0
173.13289	3.0
175.11214	6.2
175.14812	12.0
177.12746	2.0
177.16371	3.0
185.13252	6.1
187.42828	1.1
189.12732	6.6
189.16383	1.7
191.14339	1.2
199.14775	2.5
203.14325	3.4
207.13727	2.0
215.17987	2.5
217.15956	2.5
217.19482	16.2
217.21423	1.8
221.15396	4.3
231.17487	2.4
231.21085	6.9
235.16959	4.6
241.19443	11.1
249.18469	2.3
259.20584	17.8
273.18500	1.6
291.19574	14.6
291.23169	66.1
292.20474	1.2
292.23511	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.11412	0.8
53.03930	2.2
55.01859	1.0
55.05253	1.5
55.05505	21.8
57.07061	2.4
59.04988	1.8
62.09077	1.0
65.03924	2.1
67.05499	41.7
69.03397	1.3
69.07059	16.5
69.29235	4.9
73.06546	1.1
75.99915	0.8
77.03916	2.4
79.05486	74.8
80.05822	1.6
81.07048	49.9
83.04948	1.1
83.08614	9.5
83.94246	1.0
85.06522	3.7
91.05471	29.6
93.07036	100.0
94.07367	2.4
95.04964	10.2
95.08601	30.5
97.06522	2.8
97.10146	4.2
99.08111	1.7
105.04509	3.6
105.07020	18.0
107.04954	1.2
107.08582	58.4
108.44413	0.8
109.06522	2.9
109.10143	12.8
111.08043	1.6
117.07004	4.0
119.08577	13.5
121.10130	46.2
122.10458	1.1
123.08012	2.0
123.11672	3.8
125.09584	1.4
129.06993	2.0
131.08554	5.4
133.10106	13.7
135.08092	1.6
135.11678	52.7
136.12016	1.6
137.09625	2.4
143.08510	2.0
145.10141	5.4
147.11682	10.0
148.12045	0.9
149.09637	4.4
149.13239	34.3
151.11169	1.4
157.10120	3.2
159.11722	4.4
161.13252	9.9
163.11124	2.9
163.14806	10.8
171.11674	4.8
173.13258	2.7
175.11139	1.7
175.14784	4.4
177.12746	3.1
185.13237	3.0
189.12727	2.4
191.14256	1.0
195.13931	1.0
199.14828	2.4
203.14189	2.9
207.13707	1.0
209.15303	1.8
213.16322	1.8
217.19478	2.3
221.15407	1.2
227.35475	1.0
231.17395	1.5
235.16780	2.6
241.19513	5.7
249.18433	1.1
259.20575	11.5
291.19644	3.2
291.23132	57.6
292.23331	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	292.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.8
55.05508	2.0
56.96560	43.9
60.95848	2.3
67.18285	1.4
69.03419	5.3
69.42045	7.1
78.03443	1.6
81.03409	2.4
84.04459	2.1
84.46696	1.6
84.74506	1.4
84.96025	3.5
85.02889	6.4
85.07661	3.9
86.09675	2.5
97.02871	3.9
98.97574	100.0
100.41782	1.7
107.04976	1.8
110.97564	10.7
114.05542	18.5
116.98605	71.2
122.98203	1.5
128.98578	15.8
130.93253	2.0
131.00117	2.0
134.99640	36.8
140.98601	6.5
141.24261	1.5
143.00146	4.6
144.98166	1.6
145.01701	2.5
146.99652	8.0
153.00668	4.6
158.99643	6.7
161.01239	2.6
161.07047	3.0
163.02736	2.0
163.03871	8.2
170.99594	6.0
171.47528	1.5
172.94316	5.8
174.97719	1.9
174.99158	2.3
175.00620	1.7
177.00723	3.0
182.99661	2.5
189.00618	4.8
190.95384	7.2
190.98613	3.5
193.00125	2.2
193.01714	2.2
201.00670	9.6
208.96414	4.4
214.95367	3.3
219.01663	8.4
227.02298	2.9
232.96400	14.3
234.99834	3.4
237.00645	4.0
237.02809	5.8
250.97412	4.5
251.04404	9.8
255.01762	7.4
255.45117	1.8
256.96414	11.5
261.03113	1.9
269.05472	5.6
273.02808	4.5
274.97476	80.6
290.96936	3.1
292.95142	2.9
292.98529	47.5
293.05569	13.9
293.11331	2.7
293.14786	3.7
293.98788	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41486	0.4
53.00283	0.6
53.03935	0.6
66.30911	0.4
66.50752	0.5
67.05500	0.5
69.03417	0.8
71.01337	0.4
72.08128	1.8
72.14342	0.6
77.03905	0.6
79.05116	0.4
79.05484	5.2
81.03391	0.7
85.02885	0.7
89.03922	0.9
91.05490	2.3
93.03367	0.7
93.07029	0.8
95.04962	1.1
97.06483	0.6
99.00798	0.9
103.05425	0.7
105.07032	0.9
107.04948	3.8
109.02863	0.8
109.06503	0.4
110.20033	0.4
112.86599	0.4
115.05416	0.4
117.03369	3.3
119.04933	2.1
119.69585	0.4
121.02863	1.0
123.04412	0.7
124.04698	0.5
125.09610	0.6
127.03854	0.4
131.04924	0.8
131.08571	0.6
133.02814	1.0
135.04396	4.7
136.16513	0.5
137.05962	0.9
139.03838	1.0
140.04257	0.6
145.02829	5.2
147.04391	7.7
148.04747	0.6
149.05969	0.6
151.03902	1.3
161.05951	1.0
163.03889	32.0
164.04135	0.5
171.04428	0.5
172.55487	0.5
173.02344	1.3
175.03922	1.1
177.01819	16.5
177.05417	5.7
179.03424	2.4
181.04932	0.8
181.85187	0.5
189.05487	1.0
189.09169	0.8
191.03375	54.9
192.03709	1.6
201.01797	2.4
203.03488	0.6
204.10132	2.2
205.01305	14.9
205.10561	0.7
207.02901	5.0
219.02866	100.0
220.03186	4.1
221.04463	0.7
223.02585	0.5
229.01260	1.2
237.03935	2.4
247.02359	28.4
247.14307	0.5
249.03987	2.1
265.03412	4.9
275.01822	5.1
275.13879	1.2
276.12216	0.8
293.02887	63.1
293.14731	1.8
293.20752	0.6
294.03317	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.029
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
53.00301	0.4
65.03925	0.5
68.99765	0.4
69.98928	1.1
70.84064	0.3
75.31312	0.4
77.03890	0.6
79.05124	0.3
79.05492	4.8
84.58096	0.3
86.09654	0.5
89.03925	1.4
91.05460	1.2
95.04943	1.2
98.22978	0.8
99.00789	1.1
105.03402	0.5
106.65993	0.4
107.04946	4.5
117.02608	0.5
117.03344	2.5
119.04913	0.9
121.02844	0.5
123.04413	2.6
124.04740	1.4
125.04894	0.7
125.74811	0.4
133.02844	1.2
135.04419	4.6
139.03888	3.4
140.04237	2.0
141.04340	2.6
145.02847	2.8
147.04425	2.6
149.02321	1.3
151.03880	1.9
154.02245	0.4
163.03888	34.8
164.04163	0.9
165.05571	0.8
173.02316	1.4
175.03809	1.0
177.01813	19.0
179.03372	2.2
181.04935	0.7
188.04605	0.4
191.03369	58.0
192.03719	1.9
193.04987	0.7
201.01845	2.0
203.03413	0.7
205.01299	14.1
207.02873	5.7
219.02861	100.0
220.03171	3.4
221.04497	0.7
228.53415	0.4
229.01227	0.8
231.06737	0.4
237.03935	1.7
247.02357	29.9
248.02695	0.6
249.03941	2.0
251.01724	0.4
265.03424	3.9
275.01859	5.6
293.02887	71.0
294.03220	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93351	2.6
69.65473	11.0
81.48518	2.7
84.88226	2.6
94.92992	31.9
95.09161	2.6
98.22743	5.1
118.08627	11.4
119.01929	4.1
122.88126	2.4
131.01802	3.3
131.51970	2.9
143.01918	5.0
161.02939	5.0
161.99507	25.6
169.48318	2.6
173.02937	2.8
175.11906	5.3
202.59499	2.7
218.88524	9.5
245.66727	2.7
257.05768	3.8
293.06262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0995
Annotation	EDTA
Peak:m/z	Relative Intensity
69.03404	1.0
69.60358	1.9
69.60751	2.0
71.89651	0.8
71.92115	1.0
79.05507	1.2
84.08121	1.2
87.48708	0.7
91.05468	1.1
94.89025	0.8
103.05471	1.7
131.04893	3.1
163.03893	3.8
177.01796	2.3
177.05438	0.8
188.77487	1.0
191.03394	6.4
204.07545	4.4
205.01233	1.6
219.02869	11.7
247.02339	4.4
293.03357	6.0
293.09918	100.0
294.10251	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1228
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03935	2.6
55.01853	2.6
56.96560	5.0
57.03423	7.6
57.07060	8.3
61.02909	8.1
64.42007	1.8
66.74910	1.9
67.05495	18.9
69.03420	17.1
69.07071	3.9
70.18075	2.6
70.18394	3.4
71.04976	8.1
73.02921	2.5
81.03410	6.6
83.06086	4.3
84.04496	3.4
84.26465	1.9
85.02900	81.2
85.06529	7.4
86.54184	1.9
87.72963	1.8
91.03933	3.0
92.86730	2.1
95.04958	20.7
97.02899	13.2
98.97578	4.3
98.98459	2.8
99.04430	3.2
101.55294	1.9
109.02859	10.2
113.05998	42.2
116.98589	2.8
120.08119	6.2
127.03902	12.4
127.27503	1.8
131.07024	100.0
133.06430	2.3
135.65280	2.1
145.04926	17.6
163.03897	5.2
166.08617	2.0
191.03374	8.2
193.91191	2.0
196.91309	2.0
219.02850	12.0
225.69453	2.2
247.02344	4.2
276.13409	4.4
293.02747	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	293.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05493	0.6
55.40853	0.6
55.56947	0.6
56.79168	0.6
56.96546	0.9
58.17329	0.5
58.61429	0.6
67.05481	0.7
69.03414	0.9
71.05022	0.6
71.22527	0.6
71.42891	0.7
79.05478	0.7
81.03428	1.4
81.07050	1.9
91.05469	0.8
92.58781	0.6
95.04938	0.6
95.08617	1.1
97.10187	0.7
98.97575	3.2
107.08601	1.3
109.10149	0.6
116.98602	3.2
121.10187	1.1
125.80344	0.7
133.10085	1.1
134.99652	2.1
150.69530	0.7
159.11668	0.6
203.77933	0.6
219.02339	0.6
275.19995	0.8
293.03162	2.2
293.17206	100.0
294.17560	3.4
311.04321	1.5
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	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	5.5
55.01867	14.2
55.05508	33.7
57.03421	4.3
57.07071	2.4
59.05001	1.5
65.03939	3.8
67.05504	56.7
69.03415	3.9
69.06702	1.7
69.07063	23.6
70.04805	3.0
71.04984	4.4
77.03908	1.7
79.05489	49.7
80.05793	1.2
81.03415	9.7
81.07051	69.2
83.04980	8.0
83.08611	18.3
85.06522	4.1
91.05470	39.8
92.05775	1.2
93.07041	41.3
95.04962	17.8
95.08598	38.9
97.06515	13.6
97.10168	15.6
98.22947	2.1
98.97607	1.3
99.08075	1.4
101.79208	1.0
105.04492	1.5
105.07025	40.7
105.07734	2.2
107.04948	12.2
107.08589	47.7
109.06509	15.7
109.10142	13.9
111.08054	4.4
111.11678	1.3
115.05401	1.7
117.07011	12.9
119.08575	26.2
121.06498	5.9
121.10135	15.5
123.08061	9.9
123.11704	5.3
125.09626	15.0
129.07001	3.7
131.08545	18.2
133.06516	1.7
133.10117	22.0
135.08069	9.4
135.11673	7.9
137.09604	9.1
139.11147	2.9
141.06952	1.1
143.08545	4.0
145.10106	14.3
147.08072	1.8
147.11679	18.0
149.09616	18.7
149.13266	5.6
151.07512	1.0
151.11165	10.3
155.08551	1.4
157.10086	3.3
159.11699	12.3
161.09557	2.2
161.13255	5.2
163.11174	9.0
163.14806	1.1
165.09119	8.9
165.12749	3.4
169.10126	2.6
171.11670	4.5
173.09703	1.2
173.11931	1.5
173.13239	8.3
175.11148	4.6
175.14836	1.9
177.12727	4.8
179.14290	1.2
181.12302	1.6
183.11720	2.0
185.13353	1.3
187.11147	2.5
187.14870	1.7
189.11205	7.3
189.12718	2.2
193.12146	1.4
197.13239	2.0
199.14832	1.2
201.12737	1.6
205.81175	1.0
211.14848	1.6
215.17909	1.7
217.15823	1.2
229.19545	4.9
239.17978	6.3
247.20567	9.0
257.19000	13.9
275.20047	100.0
276.20401	5.1
293.08139	1.7
293.17480	2.5
293.21045	32.4
293.24417	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.60811	1.5
53.03947	4.4
53.21531	1.4
55.01865	8.1
55.05506	28.4
57.03421	2.5
57.07074	2.7
58.52557	1.4
65.03944	3.2
67.05498	58.4
68.00700	1.5
69.03423	3.7
69.07058	27.0
71.04991	5.7
79.05486	43.6
81.03421	8.1
81.07049	100.0
83.04970	9.7
83.08611	14.1
85.06523	3.6
91.05476	35.4
93.07037	35.8
95.04964	34.0
95.08601	37.2
96.08975	1.8
97.06534	8.2
97.10159	4.1
98.22681	3.5
99.08060	1.9
101.06000	1.6
103.05415	1.9
105.04510	2.3
105.07020	43.9
105.71080	1.4
107.04957	5.8
107.08585	29.0
109.06502	22.2
109.10147	26.6
111.08080	4.0
114.38884	1.6
117.07015	12.8
118.96933	1.5
119.08573	32.0
121.06528	5.4
121.10136	18.1
123.08060	14.9
123.11681	7.3
125.09654	4.1
129.07016	1.5
130.07755	1.8
131.08527	13.2
133.10117	32.8
135.08057	4.9
135.11671	4.3
137.09569	13.1
145.10146	10.5
147.11678	17.9
149.09607	10.3
149.13255	4.3
151.11153	12.4
155.08563	2.5
157.10136	3.7
159.11685	10.6
161.13254	3.8
163.11241	8.1
165.09013	2.1
165.12743	4.3
169.10095	2.0
169.12288	2.5
171.11656	3.5
173.09587	2.7
173.13269	5.7
174.15974	1.7
175.11128	3.0
177.12776	3.6
183.11743	2.6
187.11191	2.2
201.12804	2.2
207.13826	2.8
208.40038	1.5
229.19536	3.2
237.11266	2.0
237.14783	3.4
247.20616	7.6
257.19061	8.1
265.21603	1.7
275.20035	53.6
276.20239	3.9
288.34589	1.6
293.21036	48.3
294.21616	2.0
295.04263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.88552	1.1
53.03943	7.1
54.15422	1.2
55.01870	13.7
55.05510	27.8
56.96584	1.3
57.03429	3.6
57.07064	2.9
59.04991	1.3
61.91501	1.3
62.67173	1.1
65.03947	1.8
65.29028	1.3
67.05500	35.3
69.03415	3.1
69.07066	21.4
69.14725	4.6
69.15128	3.7
71.04997	3.8
73.06544	1.3
75.34051	1.2
77.03928	1.4
79.05486	47.7
81.03414	8.4
81.07052	39.6
83.04984	7.0
83.08623	13.0
85.06536	3.7
91.05472	29.5
93.07040	30.8
95.04959	13.2
95.08606	25.0
96.53442	1.4
97.06524	14.5
97.10172	10.4
98.22762	2.7
99.08044	1.7
103.05501	1.4
105.07024	33.8
107.04959	14.1
107.08591	55.4
109.06514	10.6
109.10158	9.7
111.08060	3.3
117.07006	9.6
119.08574	18.0
121.06499	4.1
121.10126	16.1
123.08071	6.6
123.11718	4.4
125.09628	11.0
131.08569	13.2
133.10133	18.9
135.08066	5.6
135.11673	8.3
137.09607	4.1
139.11174	1.4
141.07011	1.6
145.10103	11.8
147.07965	1.5
147.11670	13.4
149.09599	19.4
149.13240	3.1
151.11177	9.2
153.12779	1.4
155.08531	1.3
157.10129	3.0
159.11705	9.4
161.09586	1.9
161.13257	4.6
163.11150	7.2
165.09108	12.7
165.12688	1.5
169.10126	2.6
171.10112	1.5
171.11659	2.8
173.13243	6.0
175.11220	3.0
175.14870	1.9
177.12772	2.9
179.14424	1.9
183.11620	2.1
187.11203	3.0
189.11191	8.2
189.12685	2.3
191.14259	1.4
197.13271	2.4
215.17766	1.4
218.02516	1.4
229.19536	4.1
239.17863	3.4
247.20534	10.7
257.18964	11.9
270.10837	1.5
275.20053	100.0
276.20422	4.2
293.21100	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	8.0
55.01868	30.6
55.05507	17.3
57.03424	2.1
57.07074	3.2
65.03919	2.1
67.05499	43.1
69.03428	1.9
69.07065	38.5
70.02287	2.8
71.04987	3.6
71.08646	1.8
73.52972	1.1
77.03902	2.0
79.05485	37.2
81.03405	15.2
81.07050	49.7
83.04971	6.2
83.08608	7.8
85.06508	1.5
85.34076	1.3
91.05468	30.2
93.07034	38.5
94.06569	2.6
95.01329	2.2
95.04960	18.3
95.05532	1.6
95.08598	27.2
97.06525	38.6
97.10155	5.5
98.23139	3.8
105.07018	31.0
107.04938	15.5
107.05580	1.6
107.08585	33.8
108.08924	1.8
109.06503	10.3
109.10144	10.5
111.08055	2.0
112.56120	1.3
112.75484	1.2
116.98590	1.6
117.06997	9.8
119.08577	16.6
121.06508	8.0
121.10134	14.6
123.08043	9.2
123.11681	2.4
125.09640	6.0
129.06999	2.7
131.08551	14.9
131.58815	1.5
133.06500	3.1
133.10127	15.8
135.08051	7.1
135.11693	10.4
136.08426	2.1
137.09615	6.8
141.06949	1.9
143.08594	1.7
145.06482	4.5
145.10112	12.1
147.08051	2.1
147.11641	11.4
149.09595	24.8
149.13261	4.7
151.11154	15.4
152.11621	1.3
157.10167	2.8
159.08037	2.0
159.11674	11.0
161.09592	2.4
161.13264	5.5
163.11171	9.4
165.09099	14.2
169.10159	3.8
171.11673	2.1
173.13194	6.7
175.11211	3.8
177.12790	6.5
179.14304	3.2
183.11649	2.5
187.11160	8.8
187.14796	2.3
191.14302	2.0
195.13768	2.7
197.13332	2.2
205.12274	2.6
213.16307	1.8
215.17886	1.9
220.17117	2.4
222.06714	1.6
229.19518	5.0
233.05997	1.5
233.18968	2.1
238.88885	2.2
239.17978	3.7
247.20596	11.7
250.06203	2.7
257.19025	15.0
261.05551	1.7
265.22668	3.9
275.20035	100.0
276.20352	4.0
292.27539	2.3
293.08087	4.2
293.11502	1.6
293.21051	28.8
293.27948	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.87032	4.0
52.09135	4.9
53.03933	24.4
55.01872	32.0
55.05505	33.3
57.07072	15.1
67.05499	73.4
69.07052	44.4
69.98500	14.6
79.05489	53.0
81.03413	60.7
81.07050	100.0
83.04987	11.3
83.08633	9.4
91.05473	56.3
93.07034	53.9
95.01354	8.1
95.04973	34.3
95.08593	52.3
97.06529	32.4
97.10121	4.8
98.23225	12.6
105.07024	73.4
107.04942	25.1
107.08600	21.0
109.06496	14.5
109.10161	10.7
111.04454	8.6
111.08066	6.4
117.07010	13.9
119.08569	44.2
121.06530	9.8
121.10135	17.5
123.08057	10.7
125.09633	17.5
126.67487	4.8
131.08549	32.4
133.10135	50.5
135.04449	6.1
135.08047	6.2
135.11691	12.6
137.09639	6.1
139.07465	4.7
141.06970	4.2
145.10092	13.1
147.11676	17.4
149.09599	12.8
149.13274	5.3
151.11163	9.2
157.10077	5.5
159.08060	4.8
159.11671	16.3
161.13347	6.4
163.11191	12.7
177.12775	11.4
179.14342	12.6
181.12204	7.8
187.11150	11.6
191.96895	4.5
209.11763	16.2
213.76164	4.5
237.11092	30.6
238.88742	5.0
247.20311	7.3
257.18872	6.7
260.86609	4.6
275.16953	9.1
275.20007	82.8
293.21149	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	3.9
55.01871	8.2
55.05254	2.2
55.05506	29.1
57.03158	1.4
57.03422	5.1
57.07061	4.2
65.03935	1.7
67.05497	50.5
69.03414	2.1
69.07062	39.7
71.04987	7.1
71.43250	1.4
79.05482	42.4
81.03413	10.8
81.07050	100.0
82.07399	1.9
83.04964	9.0
83.08611	13.0
85.06535	2.7
91.05043	0.8
91.05470	31.5
93.07035	32.3
95.04961	36.9
95.08597	32.0
97.06513	7.2
97.10152	4.5
99.08067	2.8
105.07019	38.8
107.04947	7.0
107.08591	21.2
109.06513	24.4
109.10149	15.8
111.08107	6.4
115.05399	1.4
117.07011	10.9
119.08573	30.8
121.06510	6.3
121.10133	15.7
122.03631	2.2
123.08066	25.4
123.11688	7.0
125.09588	2.3
127.07491	1.3
129.06976	4.2
131.08543	13.4
133.06529	1.7
133.10115	19.0
135.08025	6.4
135.11668	5.7
137.05949	26.3
137.09592	8.7
139.87112	1.2
143.08560	3.0
145.06465	2.7
145.10112	13.6
147.08046	1.9
147.11676	18.6
149.09592	10.9
149.13292	3.0
151.11191	5.3
157.10129	3.6
159.11642	8.3
161.09615	2.2
161.13237	4.2
163.11168	9.3
165.12752	5.1
171.11690	3.2
173.09575	2.4
173.13246	7.4
175.11143	2.4
177.12750	3.5
179.10677	1.4
183.11665	1.7
187.11198	1.8
187.14853	1.4
191.10625	2.8
193.12115	1.8
197.13202	1.6
201.12663	2.7
205.15787	2.2
207.13751	1.7
219.13791	2.1
219.17462	2.4
221.15344	1.8
223.13184	1.8
229.19476	3.9
233.09657	1.8
237.11105	1.8
237.14760	2.8
239.18039	1.7
247.20485	4.0
257.19006	8.0
265.21390	1.6
275.20032	51.3
293.08112	2.8
293.11697	3.1
293.21078	42.8
293.24420	2.3
294.21268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	7.7
55.01870	8.3
55.05503	20.6
57.03433	3.4
57.07062	3.9
61.67828	1.3
65.03943	2.4
67.05498	40.2
69.03465	1.5
69.07056	16.9
70.50144	2.2
71.04984	3.0
79.05485	43.8
81.03406	12.3
81.07049	100.0
82.07390	2.1
83.04971	6.0
83.08615	15.7
85.06528	3.1
91.05466	29.1
93.07038	22.7
95.04965	23.6
95.08597	18.2
97.06510	9.6
97.10146	2.8
98.23033	2.5
98.97573	1.7
99.08073	2.5
105.04473	1.7
105.07014	27.0
105.07642	2.5
107.04955	12.3
107.08566	15.8
109.06507	41.8
109.07209	2.7
109.10146	8.5
111.08064	5.7
117.06999	7.8
119.08572	16.3
119.12151	1.3
121.06501	3.9
121.10101	14.0
123.08047	13.9
123.11736	5.0
125.09617	3.1
129.06996	3.8
131.08563	10.3
133.10088	14.8
135.08081	4.1
135.11688	6.7
137.09615	11.7
143.08507	1.7
145.06502	2.6
145.10104	10.9
147.07980	1.8
147.11664	17.8
149.09622	11.7
149.13269	4.0
151.11221	3.4
155.08585	2.1
157.10117	4.3
159.11647	8.4
161.09633	2.0
161.13213	3.3
163.11160	10.4
165.12747	2.8
173.09645	2.2
173.13277	5.3
175.11110	3.6
177.12759	2.4
178.13118	1.6
183.11571	1.9
187.11185	2.1
191.10637	1.6
191.14384	2.1
193.12209	3.5
223.13213	2.4
229.19473	2.9
237.11200	3.5
238.88823	3.5
239.17859	3.0
247.20483	3.4
257.18973	6.1
275.20047	49.8
276.20334	2.8
293.21033	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.02374	3.1
53.03936	5.4
55.01869	49.2
55.05510	61.1
57.03425	6.3
57.07087	3.6
57.58699	3.3
61.84912	2.6
67.05505	48.8
68.42229	2.6
69.03426	4.9
69.07069	26.1
71.04970	4.6
79.05041	4.9
79.05491	92.6
81.07047	48.7
81.07502	3.8
83.04985	17.4
83.08616	25.4
85.59033	2.9
90.34057	2.9
91.05480	41.6
93.06508	5.1
93.07044	43.0
95.04961	15.6
95.08609	19.2
97.06528	69.4
97.10164	32.7
105.07028	35.7
107.04951	59.9
107.08586	63.2
107.09261	5.1
109.06504	9.2
109.10133	17.0
111.08061	5.1
111.37878	2.6
117.07021	12.0
119.08574	22.4
121.06509	6.1
121.10156	20.6
123.11710	7.9
125.09611	31.7
129.07056	3.4
131.08560	16.2
133.10118	25.6
135.08026	11.2
135.11740	8.5
145.10138	12.9
147.11682	19.1
149.09605	96.9
151.11237	4.6
153.09044	4.4
159.11681	9.1
161.13232	7.4
163.11250	4.6
165.09019	3.1
169.12215	4.5
169.91040	3.1
173.11815	5.0
173.13222	4.3
189.11194	21.0
212.39842	3.4
215.17902	3.9
229.19531	8.6
237.11348	6.9
238.33955	2.6
239.17940	4.1
247.20624	5.6
257.18982	21.6
275.17065	4.9
275.20050	100.0
275.22913	6.2
276.20450	4.0
293.21143	12.1
310.73242	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.74334	2.7
53.03936	4.8
55.01867	12.8
55.05504	22.7
57.03425	9.9
57.07082	3.2
59.05002	3.0
65.03940	3.3
67.05499	32.8
69.03432	4.6
69.07062	85.9
69.74257	7.7
69.74610	3.8
71.04984	5.7
79.05489	39.6
81.03406	14.3
81.07052	46.4
83.04979	9.8
83.08627	6.1
85.02896	3.4
85.06524	4.3
91.05466	33.3
93.07029	51.5
95.04961	100.0
95.08601	32.8
97.06530	10.8
97.10148	6.7
105.07028	35.7
107.04964	16.8
107.08581	24.7
109.06499	13.4
109.10149	11.3
111.08071	3.1
117.07011	12.8
119.08561	27.6
121.06492	9.1
121.10120	19.1
123.08090	8.5
129.07005	6.4
131.08556	20.7
133.10112	21.1
135.08028	27.1
135.11659	8.1
137.09645	5.3
139.11162	8.8
143.08592	5.8
145.06471	3.2
145.10136	9.0
147.11684	13.3
149.09607	11.6
151.11159	6.4
157.10062	4.5
159.08105	3.6
159.11671	17.1
161.09528	3.3
161.13254	3.4
163.11205	7.0
171.11716	3.4
173.13295	8.4
177.05428	18.9
177.12729	8.6
178.06256	16.1
183.11752	5.4
185.13287	3.9
187.11218	3.8
189.11223	3.1
191.07068	6.0
191.14168	3.7
194.15518	2.8
195.37828	2.7
203.12730	7.0
207.13777	6.5
219.13992	3.9
219.17403	17.9
221.15356	6.3
225.14969	4.8
233.11674	20.9
237.14821	32.6
239.17889	6.3
247.20517	3.6
257.19061	12.5
261.11945	2.9
275.20053	70.5
293.21078	79.8
294.54428	2.8
311.55133	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	7.1
55.01866	12.4
55.05507	94.4
57.03442	12.8
57.07054	8.1
64.09152	2.6
65.03928	6.1
65.14935	2.3
66.25427	2.4
67.05498	100.0
69.03416	10.5
69.07058	52.7
71.04979	9.2
79.05482	97.7
81.03418	18.6
81.07050	85.0
83.04991	13.9
83.08610	42.1
85.06526	6.9
91.05473	62.1
92.71612	2.4
93.07032	73.8
95.04336	3.9
95.04956	80.0
95.08595	61.6
95.09204	2.8
97.06528	18.6
97.10157	26.9
105.04507	4.1
105.07024	57.3
107.04948	15.1
107.08576	66.4
109.06519	16.5
109.10148	38.6
111.08068	5.7
111.11724	2.9
117.07031	15.9
119.08560	43.2
120.07648	2.2
120.08734	2.8
121.06484	10.8
121.10112	30.0
123.08063	17.5
123.11680	11.3
125.05962	3.0
125.09624	17.5
129.06972	6.3
131.08534	25.2
133.10114	31.7
135.08073	8.4
135.11665	10.9
137.05995	9.0
137.09584	48.2
139.11154	11.2
143.08571	5.1
145.10126	22.8
147.08049	6.3
147.11661	23.6
149.09622	28.0
149.13278	3.2
151.11165	8.5
155.08592	3.4
157.10121	5.7
159.11662	15.2
161.09615	3.8
161.13275	5.9
163.11150	14.2
165.12851	3.0
167.10738	3.2
171.11617	4.8
173.13280	10.4
175.11214	4.8
177.12724	7.3
183.11697	2.8
187.14857	2.9
189.11131	12.7
197.13242	5.1
203.12683	2.8
209.11690	6.1
211.13275	4.7
219.13731	4.6
223.13376	12.0
233.15399	3.0
237.11209	7.9
237.14856	4.5
239.17917	4.8
247.20590	8.1
257.18973	14.7
275.20032	98.6
276.20313	4.8
293.21027	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03931	0.9
55.01871	4.1
55.05507	10.9
57.03434	1.1
57.07060	2.5
59.05016	0.7
65.03937	2.0
67.05499	25.7
67.30630	0.7
69.03402	1.7
69.06714	1.1
69.07065	20.7
69.72998	2.0
69.73377	1.2
71.04979	3.3
71.47208	0.8
73.00808	0.7
79.05481	16.2
81.03411	2.1
81.07053	26.8
83.04970	7.1
83.08599	4.3
85.06533	2.0
90.36104	0.8
91.05471	18.1
93.07035	22.8
95.04964	9.2
95.08595	17.0
97.06515	3.3
97.10158	2.3
98.22874	1.8
98.23453	1.0
105.07021	19.0
107.04957	5.4
107.08585	13.1
109.06512	10.1
109.10148	9.2
111.08103	1.5
117.07003	6.2
119.08559	12.8
121.06495	9.4
121.10126	8.4
123.08067	5.6
123.11683	2.4
125.09619	1.6
129.07005	1.2
131.08549	13.8
133.06509	2.7
133.10121	15.7
135.08014	4.0
135.11670	5.1
137.09590	3.6
143.08498	1.9
145.06450	1.4
145.10115	9.4
147.08066	2.7
147.11670	11.6
149.09601	4.5
149.13229	3.0
151.11176	7.5
155.08504	1.0
157.10152	2.6
159.08040	2.0
159.11705	6.1
161.09589	3.0
161.13243	3.1
163.11186	4.6
163.14815	1.1
164.44867	0.8
169.10139	1.1
169.11737	0.7
171.11674	2.3
173.09590	2.6
173.13271	4.5
175.11140	2.0
177.05423	1.1
177.12717	1.6
183.11629	1.6
187.11208	1.7
189.12711	1.1
191.14314	2.3
193.08682	0.9
197.13295	1.3
199.14835	1.3
201.12723	3.2
207.13805	3.1
209.11842	1.5
213.16628	1.0
215.14310	1.8
215.17926	1.0
219.11938	0.8
219.13708	5.1
229.19533	2.3
231.17355	1.3
233.11765	1.3
237.11154	0.9
238.88834	1.5
239.17915	3.3
247.20544	4.3
249.18567	0.9
257.18982	14.8
275.20041	100.0
276.20383	4.0
293.21082	29.1
294.21399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	4.5
55.01863	8.6
55.05510	18.6
56.96551	1.9
57.03431	5.5
57.07075	8.8
67.05497	27.2
69.07056	11.6
71.04987	4.0
77.06579	1.6
79.05491	41.8
81.03413	8.4
81.07051	100.0
83.04971	5.1
83.08610	10.3
85.06536	4.0
85.51965	1.4
87.48791	1.7
91.05470	19.4
93.07047	19.9
95.04955	15.0
95.08595	21.6
97.02903	1.9
97.06528	9.7
97.10146	2.6
99.08099	2.7
105.07028	17.4
107.04955	5.6
107.08584	17.7
109.06510	40.3
109.07217	2.6
109.10135	11.3
110.43314	1.5
111.04460	6.8
111.08100	4.0
117.07014	5.2
119.08585	13.6
121.06504	4.4
121.10125	10.8
123.08092	8.4
123.11710	5.7
125.05973	3.1
125.09631	1.8
129.06944	2.1
131.08545	9.5
133.10124	13.0
135.04427	2.1
135.08035	2.6
135.11691	7.0
137.09610	8.0
145.10126	6.3
147.08011	1.9
147.11685	9.3
149.09593	11.6
149.13229	3.8
151.11188	6.4
153.05440	4.1
159.11722	3.7
161.13274	4.4
163.11194	6.8
163.14790	1.8
165.12762	2.9
167.10693	3.2
173.13309	2.8
175.11081	2.6
175.14815	2.0
177.12703	2.6
178.79652	1.6
181.05014	3.7
191.10687	5.2
193.12245	3.3
195.10297	1.9
201.16344	2.1
203.14299	1.8
209.11751	7.4
219.10208	2.2
219.17429	22.8
229.19481	2.8
237.11241	16.0
238.44279	1.5
240.93240	1.7
247.20566	6.8
257.18948	4.1
275.20016	33.6
280.61700	1.7
293.11710	2.4
293.21149	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03928	1.9
55.01852	1.2
55.05509	11.2
57.07064	2.7
61.42008	1.0
64.46014	1.0
65.03933	2.6
67.05498	100.0
67.89993	1.0
68.05817	1.0
69.07061	9.5
69.20074	6.5
79.05489	18.6
81.07048	89.4
82.07407	2.5
83.08607	4.4
85.06528	3.1
91.05478	6.4
93.07029	15.7
95.04964	1.8
95.08598	69.4
96.08914	1.7
97.06507	2.1
97.10169	2.6
105.07019	5.2
107.08580	9.8
109.06502	2.0
109.10139	23.1
111.08092	1.9
117.07018	2.6
119.08568	3.9
121.10109	7.0
123.11684	11.8
131.08553	5.8
133.10098	2.7
135.07988	1.2
135.11639	5.2
137.09654	2.1
137.13219	7.5
145.10109	4.2
147.11656	2.7
149.09578	1.9
149.13287	3.1
151.14806	2.6
156.35483	1.1
159.11717	3.2
161.13278	2.8
163.11200	2.8
163.14824	2.8
165.12729	1.4
173.13274	4.1
175.29593	1.1
177.12816	2.6
177.16437	2.3
180.70932	1.3
187.14880	1.8
191.14357	1.8
223.17050	1.5
237.11215	1.7
243.21140	2.5
261.22238	5.2
275.20197	1.7
293.21423	2.6
293.24524	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	294.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
59.04986	0.6
67.05486	0.9
68.55919	0.3
68.78970	0.3
69.03416	3.3
69.07059	2.1
69.65357	0.3
69.76508	0.3
69.90292	0.3
69.90639	1.0
71.08610	0.3
79.05488	0.3
81.03405	0.8
81.07048	1.0
85.02956	0.3
87.04458	6.2
91.05470	2.7
93.07021	1.7
95.04903	0.5
95.08600	0.5
102.56955	0.4
102.97788	0.3
103.05459	6.1
105.07011	0.4
107.08588	0.8
109.02891	0.5
109.10139	0.6
111.11703	0.4
115.03909	8.0
117.07042	0.4
118.06520	1.8
118.28059	0.3
119.08570	0.5
120.08090	100.0
121.06491	8.7
121.08432	1.5
125.67155	0.3
125.97776	0.3
129.05484	0.4
131.04904	2.4
135.08104	0.6
139.11179	0.4
143.08569	0.3
146.05975	1.5
163.07536	3.0
170.09587	0.5
180.10175	14.8
181.10452	0.3
188.10699	1.0
198.09132	1.1
216.10172	16.1
217.10574	0.6
234.11241	5.9
244.09668	3.9
262.10663	1.9
271.42743	0.4
276.12296	3.2
294.13596	0.9
294.17261	0.6
294.25189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.97678	0.3
55.01928	0.3
57.07067	0.7
57.89333	0.2
65.78684	0.2
66.04689	0.3
67.05499	0.7
72.37691	0.2
79.05481	1.1
81.07066	2.2
91.05470	0.8
94.04192	1.9
95.04972	0.5
95.08550	0.3
97.10133	0.3
107.04958	0.3
109.06483	0.6
122.03631	6.9
123.11678	2.0
137.05966	100.0
138.06342	1.5
139.11087	0.3
141.12752	0.4
158.15424	1.6
170.15392	2.0
210.11932	0.3
230.17113	0.3
236.58717	0.2
238.11560	0.6
264.74847	0.3
276.20300	0.3
277.21594	0.3
294.20874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05503	0.8
57.06527	0.2
57.07083	1.4
58.59002	0.2
61.09946	0.2
65.03928	0.3
67.05489	1.1
68.05585	0.2
69.07050	0.4
71.08622	1.2
79.05468	1.4
81.07042	1.6
83.08632	0.5
91.05463	1.0
93.07038	0.7
94.04181	2.7
95.04972	0.3
95.08633	0.4
97.10152	0.6
98.23513	0.5
104.83711	0.2
107.04917	0.3
107.08575	0.7
109.06492	0.9
109.10130	0.3
118.25260	0.2
121.10092	0.3
122.03638	8.2
123.11687	0.4
125.09618	0.4
135.04390	0.3
135.11742	0.3
137.05960	100.0
138.06273	1.6
141.12727	2.9
149.13356	0.3
151.11145	0.4
158.15392	1.4
170.15373	0.4
189.11266	0.3
276.20148	0.4
277.21594	1.1
294.20804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	100.0
57.03448	0.4
67.05502	0.5
69.03421	0.8
70.98114	1.7
71.95270	0.4
74.97598	17.3
74.98022	0.9
77.03922	0.8
81.07059	0.6
84.96026	1.6
85.02911	0.8
86.97590	5.5
90.42853	0.5
91.05439	1.0
92.98626	3.0
95.04950	0.6
95.06091	1.4
97.99168	0.6
98.97577	2.2
105.03369	1.2
107.04951	0.6
114.97029	2.2
116.98615	1.8
120.08089	1.0
132.98085	8.2
133.02840	2.2
134.99651	1.3
135.04417	0.8
143.04951	0.6
147.01131	0.7
150.07643	0.7
150.99133	43.6
151.03818	0.6
154.08647	0.7
159.41423	0.4
163.00609	2.4
163.03888	3.5
165.02226	4.2
167.00150	0.7
169.00208	20.0
169.01630	1.5
170.99646	0.7
174.00771	0.8
175.00589	1.5
179.00224	0.7
179.03378	1.0
181.01721	4.2
183.03297	11.8
185.01221	2.6
187.01161	0.6
187.02675	0.8
188.07068	0.6
193.01714	57.4
193.13271	1.6
194.02086	1.8
194.99706	0.6
196.00328	0.5
197.01204	1.0
199.02704	1.5
201.04346	13.9
203.02193	2.5
206.72974	0.4
209.01140	1.2
210.89943	0.5
211.02763	88.3
212.03099	2.1
213.00670	1.1
215.02312	0.6
219.05476	1.2
222.99190	2.6
223.07118	0.5
227.02243	5.1
228.90784	0.6
229.03809	5.9
234.04288	1.5
237.00661	3.3
239.02144	0.8
241.00183	0.7
241.03833	0.6
245.03326	7.2
251.02168	1.9
252.20782	0.7
253.00294	0.9
253.03665	0.5
255.01724	24.1
256.02081	1.1
267.01721	1.8
269.03299	3.5
270.91855	1.0
271.01218	1.6
273.02795	6.7
277.11850	0.6
285.02786	1.2
288.92303	2.0
295.01425	1.0
295.11819	1.7
296.11163	2.0
306.92944	0.8
313.02222	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92566	3.9
56.96559	100.0
57.03440	6.7
57.60086	3.8
69.03433	20.0
71.43661	4.8
73.02905	12.2
74.97613	10.4
79.76488	3.9
81.03409	5.4
84.96033	4.5
85.02906	24.8
86.97580	6.4
87.04481	5.7
89.03914	4.1
90.00028	4.0
95.37949	4.1
97.02875	10.6
98.97563	21.5
99.04468	5.2
110.97568	4.8
115.03963	7.3
116.98614	19.1
117.05505	12.5
127.03909	5.4
132.95869	5.1
132.98088	6.5
133.04970	5.6
134.99638	14.5
135.04440	5.2
136.93967	9.2
147.58568	5.1
150.99104	25.5
156.91852	4.0
163.00703	6.4
163.03882	23.1
165.00572	4.0
169.00166	10.4
181.01762	15.5
183.03314	9.0
184.00458	4.5
191.03935	7.5
193.01721	36.7
197.01241	5.3
199.02798	9.7
200.04381	11.2
201.04340	6.6
207.93954	4.4
211.02765	57.8
223.02744	6.2
227.02278	8.1
241.03862	14.0
245.03256	6.3
251.02213	5.9
253.00226	14.5
255.01826	19.5
271.01178	19.8
295.06201	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	295.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	52.5
62.47421	6.0
82.63002	5.2
84.04511	34.1
84.08128	6.6
86.09702	100.0
89.24831	4.6
98.23033	5.3
98.97598	25.4
102.05515	7.0
116.98615	21.9
118.07313	4.5
120.08110	59.5
134.99637	17.9
136.07619	13.6
150.07732	16.7
163.00670	19.9
163.03888	8.7
165.05431	4.5
165.99356	5.8
166.08597	24.2
168.55321	5.4
181.01715	20.1
182.08134	12.6
197.01138	6.1
199.02803	21.3
209.01218	5.2
223.02609	10.7
227.02405	11.0
231.11250	18.9
241.03851	29.6
251.02188	6.0
253.00191	30.0
259.04770	8.1
269.03287	5.9
271.01248	42.6
277.11819	14.3
289.02295	7.7
295.08118	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	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
54.80816	2.2
55.01871	5.3
57.03432	19.7
61.02924	2.8
67.05490	7.2
69.03425	100.0
69.03807	5.3
69.07069	3.2
69.62686	2.6
71.04997	3.8
73.02923	4.8
75.04469	2.7
79.05470	2.7
81.03400	14.2
81.07040	3.3
83.04994	3.2
85.02898	48.1
87.04456	36.8
87.04936	2.9
90.53080	2.4
93.07069	3.1
97.02886	55.8
97.03493	4.3
97.06487	2.6
98.07761	2.4
99.04455	10.0
101.47765	2.3
103.03933	9.5
105.07056	3.2
107.04966	3.3
109.02871	5.7
111.04459	5.6
115.03926	52.8
116.48015	2.5
117.05479	4.3
119.08617	4.1
121.10196	3.8
123.04443	4.6
124.97783	2.3
126.73854	2.4
127.03898	11.4
133.04959	48.2
133.10106	3.0
145.04935	21.4
145.10143	2.9
148.97243	2.3
151.03894	4.0
169.04941	3.9
206.07143	2.8
207.07973	5.5
229.07021	5.0
234.06966	3.7
235.07539	5.8
252.07787	6.1
263.07062	4.7
267.09933	3.8
277.09070	6.0
280.07263	4.2
295.09607	24.4
295.15082	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	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80537	1.5
53.03954	1.8
55.01854	3.5
55.05499	4.5
57.03427	21.2
57.75579	1.4
59.04977	4.1
60.75591	1.4
61.02921	3.8
67.05495	4.9
69.03422	100.0
69.07063	5.1
69.37431	5.2
71.01357	2.2
71.04985	3.2
73.02895	5.3
79.05462	3.1
81.03410	16.8
81.07034	5.9
83.04967	3.0
85.02893	51.9
86.03220	1.8
87.03967	3.0
87.04461	36.2
91.03921	1.7
91.05482	2.9
93.07025	2.6
95.04952	4.0
95.08586	4.2
97.02255	3.3
97.02882	55.2
97.06545	1.8
98.23559	2.9
99.04440	11.0
103.03936	8.9
105.07029	1.6
107.08553	3.1
109.02841	4.7
109.06576	1.9
109.10132	5.5
111.04424	2.8
115.03111	3.0
115.03917	44.1
117.05449	3.4
119.08563	1.9
121.10143	2.0
123.04365	3.7
125.09632	2.3
127.03909	13.5
133.04951	44.7
135.11679	2.8
143.03473	1.7
145.04929	25.1
151.03830	2.8
155.39323	1.6
157.04980	2.2
161.04417	4.0
162.89594	1.5
165.13896	1.5
169.04958	5.5
181.05019	1.6
187.05965	2.1
193.04984	2.0
205.06973	2.0
205.08812	1.5
229.07025	2.7
241.07050	3.3
259.08054	2.5
277.09204	5.9
295.09692	3.5
295.24069	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03935	2.3
55.01861	3.8
55.05232	1.4
55.05497	5.7
57.03433	23.0
57.98735	1.4
59.04992	5.1
61.02911	3.7
67.05486	5.4
69.03426	100.0
69.06707	3.3
69.07059	34.9
69.10470	3.4
69.10863	8.6
70.03731	1.8
71.01353	2.0
71.04961	2.8
73.02908	7.3
75.04482	2.2
79.05483	3.7
81.03413	14.0
81.07040	8.2
83.01344	1.9
83.04961	3.8
83.08622	2.5
85.02403	3.0
85.02899	54.6
87.04464	41.7
87.04906	1.0
91.05473	2.9
93.07033	5.0
95.04975	3.5
95.08587	7.1
97.02882	50.9
97.06538	2.0
99.04462	10.8
103.03946	7.9
105.07005	3.8
107.04951	2.2
107.08575	3.8
109.02881	4.8
109.10159	2.8
111.04415	3.0
111.11723	8.9
115.03927	52.5
117.05457	4.3
119.08580	2.5
121.06496	1.8
121.10147	3.1
123.04390	4.9
127.03893	14.0
133.04951	50.5
133.06419	2.0
135.04376	2.7
137.05925	1.9
139.03952	1.7
139.11188	9.9
145.04951	22.1
149.09589	2.0
151.03833	2.7
153.23068	1.6
153.59064	1.8
165.05495	2.2
169.04948	6.9
211.06108	1.6
229.07104	2.7
241.07045	3.4
252.07863	1.9
263.11124	2.8
277.09103	6.6
295.09564	3.1
295.26328	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	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.41953	0.8
53.03944	2.0
53.67820	0.9
54.17349	0.8
54.74417	0.9
55.01874	2.8
55.05507	1.5
56.17502	0.9
57.03435	22.3
57.74769	0.9
59.04990	3.8
59.88601	0.9
61.02915	4.2
67.05499	1.7
67.73473	0.9
69.03424	100.0
70.03726	1.1
71.01345	2.8
71.04996	2.3
71.41701	0.9
73.02909	3.9
74.87544	1.0
75.04498	2.2
79.05489	1.9
81.03409	13.1
81.07048	1.1
83.01321	1.4
83.04965	2.4
84.18851	0.8
85.02899	52.8
87.04461	48.9
87.05000	1.6
91.05473	1.3
95.04974	1.9
97.02887	55.4
99.04457	11.5
101.02386	1.2
103.03934	7.7
109.02892	4.1
111.04424	2.7
115.03920	56.9
117.05535	2.2
120.08091	1.5
121.02818	1.4
121.06452	1.6
123.04417	3.4
123.35352	0.9
125.02380	1.3
127.03910	10.2
133.04956	51.8
134.05301	1.5
135.04385	1.7
136.07578	2.5
139.03897	1.4
143.03287	1.0
145.04942	17.6
149.06064	1.2
151.03899	2.2
161.04465	3.1
163.03844	1.1
165.05412	1.3
169.04942	6.1
177.05440	1.8
187.05968	1.0
199.06026	1.2
200.01918	1.1
205.04982	1.3
223.05800	1.2
226.05739	0.9
229.07045	2.7
241.07039	3.0
249.03952	3.7
259.08170	3.1
269.56360	0.9
277.09061	6.1
295.11523	3.4
295.16617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03942	2.2
55.01411	0.9
55.01861	3.1
55.05491	2.0
57.03428	20.2
59.04989	3.2
61.02918	2.7
65.04934	0.8
67.05486	2.0
69.03422	100.0
70.37706	1.3
70.38046	1.7
71.01347	3.1
71.04976	3.3
71.61994	0.9
73.02904	4.4
75.04472	1.4
79.05501	1.2
81.03411	17.8
83.04974	2.7
85.02895	53.9
87.04459	38.2
91.05485	1.9
92.98419	1.0
93.07040	1.2
95.04954	3.5
97.02880	61.9
99.04446	12.1
101.02334	1.4
103.03936	7.8
103.05451	1.3
109.02885	4.2
109.06503	1.4
111.04429	3.2
113.02335	2.2
115.03918	47.3
117.05481	2.6
121.16286	1.0
123.04420	4.9
125.02303	1.7
127.03919	11.4
133.04955	42.1
135.04367	1.1
139.03908	1.5
145.04941	22.7
151.03864	2.2
154.18263	1.0
157.04909	1.7
161.04440	2.1
163.03900	1.4
163.07391	1.1
164.28670	0.9
165.05428	1.1
169.04939	7.4
175.03873	1.2
175.07355	1.0
177.05571	1.3
179.07053	1.7
180.80759	1.0
181.04987	2.0
187.05992	2.0
193.04884	1.3
199.06059	1.7
211.06017	1.6
218.00584	0.9
223.06189	1.5
229.07126	2.2
241.07144	2.7
249.07521	1.8
259.08109	3.7
273.45840	1.0
277.09058	5.6
295.05777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.2
57.04557	0.8
64.41601	0.1
67.05492	0.2
68.68043	0.1
69.03417	0.2
69.34682	0.1
70.06598	0.1
70.16895	0.5
77.03902	0.6
79.05488	0.4
81.03419	0.2
84.04491	1.0
85.02899	0.8
87.04472	0.2
91.05464	0.3
94.04039	2.7
95.04949	0.4
96.05609	0.5
97.02878	0.2
102.88686	0.1
105.03361	1.2
105.06983	0.2
106.04042	0.2
107.04946	1.2
108.04340	0.2
109.02860	0.2
109.05108	0.2
112.05077	0.3
115.07536	0.3
117.03321	0.2
121.05078	0.2
123.04419	0.5
123.06657	1.9
127.03912	0.2
130.04997	0.3
131.04907	0.3
133.02835	3.4
133.05052	0.5
135.04384	0.5
135.05334	0.4
136.07515	0.2
143.08514	0.1
145.02817	0.2
148.06163	0.2
149.05997	0.2
150.07729	100.0
151.03859	0.2
151.08189	1.2
161.02319	0.3
163.03900	2.2
164.99960	0.2
166.08691	0.4
177.05432	0.3
179.03383	1.5
208.56468	0.2
214.54591	0.2
221.06020	0.2
246.05031	0.3
249.12543	0.2
257.67862	0.2
270.68430	0.1
273.69836	0.2
295.11349	2.1
295.16299	0.3
295.34793	0.2
296.11218	0.2
296.18655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
57.04562	1.2
69.61153	0.5
79.05489	1.9
84.04498	7.8
85.02878	0.5
91.05462	0.5
94.04041	3.3
96.05598	0.5
98.23101	0.6
103.05452	0.2
106.04037	0.2
106.06562	0.8
107.04946	10.1
108.04354	0.3
108.05239	0.2
109.05080	0.4
112.05053	0.4
119.03545	0.4
119.04936	0.3
120.08118	0.5
121.05116	0.3
123.06649	2.2
130.04997	4.1
131.04886	1.4
133.05078	0.8
135.05405	0.3
136.07581	1.1
138.11861	0.2
147.07617	0.3
148.06166	0.5
148.07521	0.3
149.05956	3.8
150.07738	100.0
151.06232	0.2
151.08160	1.1
164.99973	0.2
166.08632	2.2
175.49577	0.2
188.77386	0.2
197.97041	0.2
208.98817	0.2
223.35571	0.2
232.09760	0.5
278.10239	0.6
295.11703	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1288
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
55.01854	1.1
56.05038	2.6
57.03418	2.6
59.04985	1.1
59.65816	0.7
69.03423	10.6
69.62618	0.7
73.02908	0.9
74.02422	0.7
79.05487	16.7
81.03411	1.6
83.06087	1.8
84.04497	76.4
85.02898	9.3
86.09698	3.6
87.04445	4.8
90.04669	0.8
91.05468	14.1
94.04037	0.9
95.04948	0.9
97.02877	7.2
97.85440	0.8
98.22950	0.8
99.04464	1.9
101.07155	1.3
102.05527	2.4
103.03910	0.9
103.05460	2.2
105.07007	1.0
106.06555	7.0
107.04943	100.0
108.05297	1.7
115.03916	5.7
119.04930	9.6
121.06490	2.2
123.06656	1.6
127.03896	1.2
129.06598	2.1
130.04987	33.4
131.04904	15.4
132.10130	1.3
133.04953	4.4
136.07565	49.8
137.07936	0.9
145.04974	1.9
147.07672	2.5
148.07628	1.1
149.05962	33.4
150.07735	44.4
166.08618	21.2
175.07471	1.0
189.03845	0.9
210.61388	0.9
232.09718	3.1
249.16104	0.9
277.42010	0.8
278.10233	7.7
278.59055	0.9
295.13092	9.4
295.16327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.88591	1.7
53.03934	5.4
55.01862	7.3
55.05505	53.4
55.05776	2.7
57.03424	14.1
57.07071	13.1
65.03926	2.6
67.05497	90.4
69.03425	6.5
69.07064	37.7
69.76284	5.6
71.04978	11.1
71.08616	10.4
73.23509	1.9
79.05479	50.9
79.79097	2.2
80.05810	2.0
81.03423	6.5
81.07047	100.0
82.07407	2.0
83.04971	14.7
83.08610	25.8
85.06531	4.6
85.10168	3.0
90.20009	1.7
91.05467	31.3
93.06442	3.8
93.07030	53.9
95.04953	20.2
95.08588	51.8
95.15334	1.9
97.06519	13.8
97.10156	13.4
99.08073	6.1
105.04502	2.3
105.07023	27.4
107.04953	1.8
107.08576	27.9
109.06502	8.6
109.10141	24.8
111.08029	8.8
113.09642	3.2
117.06982	2.9
119.08564	20.8
121.06573	1.9
121.10141	16.0
123.08055	5.0
123.11685	8.6
125.09601	7.9
129.06992	4.0
131.08548	5.5
133.06464	2.2
133.10120	14.7
135.08032	5.5
135.11665	12.3
137.09593	7.6
137.13213	2.3
139.11162	6.7
145.10115	5.9
147.11694	12.5
149.13237	6.7
151.11128	8.7
153.12726	5.9
155.10640	7.5
156.44266	1.9
157.10101	5.3
161.09496	2.5
161.13232	9.0
163.14867	3.7
165.12755	7.8
171.11644	4.0
173.11798	2.3
175.11208	3.9
175.14807	4.5
179.14265	7.8
185.13347	2.6
189.11266	3.1
189.12762	2.5
191.83403	1.9
193.12175	3.5
193.15817	2.6
199.14806	2.5
207.13809	4.0
229.76102	1.8
231.21198	2.4
241.19463	4.6
249.22218	3.8
259.20532	4.5
277.21594	37.0
295.19354	3.6
295.22635	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	26.8
55.01860	10.0
55.05504	33.8
57.03436	4.6
57.07066	8.0
65.03920	2.1
66.87591	2.1
67.05496	71.9
67.72004	2.4
69.03435	2.5
69.06708	4.2
69.07064	63.7
70.03829	5.9
70.41348	2.4
71.04990	3.8
71.08621	7.1
72.93299	2.4
79.05485	56.6
81.03407	94.9
81.07047	75.6
81.22411	2.3
81.43455	2.7
82.60352	2.6
83.04978	20.4
83.08610	16.1
85.06545	3.4
91.05471	29.6
93.07035	54.5
95.04955	58.9
95.08602	23.4
97.06529	3.6
97.10171	9.5
99.08101	3.8
105.04519	3.7
105.07010	32.2
107.08582	39.3
109.06522	13.0
109.10123	19.4
111.08076	6.8
117.07003	7.4
119.08579	12.8
121.06519	3.6
121.10113	16.2
123.08072	5.5
123.11680	6.1
125.09592	15.9
129.06982	3.3
131.08551	6.6
133.10107	23.1
135.08006	4.2
135.11684	11.7
139.11278	2.9
141.12677	2.7
143.08548	4.2
145.10107	3.6
147.11655	17.8
149.09526	2.5
149.13202	14.2
151.11165	51.5
154.99895	2.6
157.10106	5.3
159.11583	4.3
161.13257	20.6
163.11093	2.8
163.14809	8.1
165.12759	6.1
171.11665	6.1
173.13257	4.5
175.14790	4.3
177.12753	3.6
185.13165	5.6
189.12706	5.3
193.12192	2.6
207.13795	7.5
221.15331	2.5
231.21066	4.5
235.16872	3.0
241.19563	9.3
249.22107	7.4
259.20578	7.6
277.21600	100.0
278.21942	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	295.2265
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03937	6.4
55.01626	2.9
55.01871	41.1
55.05257	4.9
55.05507	57.3
56.96551	3.7
57.03432	4.7
57.07065	8.2
57.33806	2.0
67.05498	100.0
69.03423	4.9
69.06714	2.5
69.07064	36.6
69.85480	8.2
71.04988	4.8
71.08627	34.7
73.06529	3.0
77.84985	2.3
79.05484	49.6
81.03414	24.2
81.07049	85.1
83.04979	17.2
83.08616	32.1
85.06539	5.7
85.10165	6.9
91.05469	42.8
93.07037	55.7
95.04961	21.5
95.08597	56.3
95.81837	2.7
97.06530	23.1
97.10159	19.2
99.08091	37.8
105.04482	3.0
105.07014	33.8
106.78880	3.0
107.04968	4.9
107.08585	35.5
109.06503	11.1
109.10132	24.4
111.08078	44.5
113.09631	10.1
117.07009	6.2
119.05945	2.6
119.08567	21.3
121.10157	23.8
123.08089	11.1
123.11694	10.0
125.09617	12.0
129.06984	6.3
131.08542	7.0
133.10114	28.4
135.11681	16.9
137.09605	9.5
137.13232	4.1
139.07635	3.3
139.11183	9.6
143.08527	5.9
145.10107	6.5
147.11674	28.2
149.09599	8.9
149.13255	12.4
150.80643	2.7
151.11153	30.1
153.12843	4.1
157.10112	5.7
159.11682	5.1
161.13248	13.1
163.11192	7.8
163.14807	4.5
165.12715	20.1
167.14365	3.0
171.11650	5.8
173.11768	2.9
173.13229	6.1
175.11064	3.2
175.14809	4.6
177.12758	3.5
179.14268	13.0
181.12314	4.5
185.13277	7.1
189.11188	7.8
207.13797	3.1
221.15370	6.3
228.15796	2.5
231.21045	5.7
241.19559	5.3
249.22185	10.0
254.11259	3.5
254.39899	2.6
259.20456	12.9
272.12552	5.5
277.21606	88.3
278.21851	3.7
295.22659	48.5
296.22928	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03946	2.7
53.21683	2.4
55.01865	4.9
55.05506	29.9
57.03431	5.8
57.07062	9.8
61.26794	2.5
67.05498	61.6
69.03398	3.8
69.07074	25.3
71.08624	100.0
72.61606	3.2
77.99843	2.8
79.05486	43.3
81.03400	9.6
81.06577	3.3
81.07049	62.2
83.04969	10.7
83.08603	24.7
84.50138	2.7
85.06544	5.9
91.05474	36.0
93.07037	61.5
95.04956	15.8
95.08611	40.1
97.06522	8.3
97.10156	12.2
99.07446	5.4
99.08088	87.9
105.07020	30.8
107.04955	9.6
107.08582	29.2
109.06500	7.0
109.10158	17.7
111.08080	6.9
113.09489	3.0
117.06975	8.9
119.08579	22.4
121.10165	24.3
123.07996	5.8
123.11693	3.8
125.09625	5.6
129.06978	7.5
131.08537	8.0
133.06496	8.8
133.10135	15.0
135.11678	24.8
137.09601	6.2
139.07489	4.3
139.11220	5.3
141.12778	4.0
143.08505	7.9
145.10066	14.8
147.11655	9.6
149.13255	12.2
151.11166	54.4
153.12746	4.3
157.10071	5.3
161.13248	24.9
163.11166	33.2
163.14839	5.4
165.12675	3.9
170.88892	3.2
171.11717	8.8
173.13231	6.8
179.14296	28.2
180.71371	2.8
185.13245	8.9
196.67818	3.0
199.14929	3.3
207.32954	3.0
221.15425	5.3
230.31134	3.8
241.19475	11.8
249.15033	3.2
258.19089	2.7
259.20587	13.6
277.21640	56.1
278.22079	3.5
296.25751	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	295.2265
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03939	6.7
55.01861	19.5
55.05503	63.9
57.03431	8.8
57.07071	16.3
59.05004	4.9
65.63257	2.7
67.05499	85.1
69.03417	9.9
69.07063	58.0
69.57064	2.8
69.72124	10.9
70.36748	2.9
71.04979	11.6
71.08608	14.1
73.06536	4.0
79.05488	73.7
80.05786	4.0
80.44344	3.0
81.03391	7.7
81.07050	100.0
81.69901	2.7
83.04981	28.4
83.08614	31.1
85.06524	9.3
85.10152	5.4
87.20753	2.9
91.05475	55.4
93.07036	90.7
95.04951	37.7
95.08591	68.2
97.06523	26.1
97.10148	13.4
98.22754	5.7
99.08098	9.1
105.07022	38.6
107.08575	43.8
109.06515	11.5
109.10147	20.7
111.07420	2.7
111.08054	16.7
113.09659	3.2
117.07024	7.8
119.08569	27.2
121.06493	4.8
121.10139	25.2
123.08052	11.0
123.11677	8.8
125.09609	4.3
129.06975	9.4
131.08521	17.4
133.06482	10.0
133.10110	35.3
135.10753	3.7
135.11670	18.5
137.09637	7.2
139.11163	20.1
143.08522	4.6
145.10104	3.4
147.08049	3.3
147.11678	20.4
149.13237	13.1
151.11194	12.9
153.12749	6.4
157.10107	11.3
159.11685	5.3
161.13237	9.5
163.14795	3.7
165.12746	15.0
171.11620	3.9
173.13237	3.8
175.11118	5.1
175.14751	5.6
177.12910	3.3
179.14322	4.4
183.38257	2.8
187.11057	2.9
189.12692	3.5
193.12236	9.5
193.15865	4.0
199.14816	3.5
207.13622	3.2
221.15247	4.5
231.21040	4.6
241.19525	6.6
249.22006	6.2
259.20453	8.5
269.76703	2.6
277.21576	88.9
278.21936	3.7
295.22632	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03940	3.3
55.01863	10.5
55.05507	30.0
57.03415	4.8
57.07062	12.4
58.14784	2.8
58.47235	2.6
65.26182	2.8
67.05157	4.2
67.05501	62.3
69.07062	34.1
71.04975	4.2
71.08625	46.7
79.05489	54.1
81.03410	9.6
81.07055	68.6
81.91941	2.9
82.07428	2.9
82.10636	2.6
83.04968	12.7
83.08617	22.7
85.06538	3.8
87.18533	2.6
91.05477	29.0
93.07037	66.4
95.04967	13.5
95.08598	46.4
97.06519	12.9
97.10179	8.8
99.08085	37.6
105.07034	18.8
107.04937	6.9
107.08585	47.5
107.09277	5.2
109.06492	4.2
109.10143	25.5
113.09666	3.9
119.08562	18.5
121.06458	3.3
121.10128	41.6
123.08089	4.3
123.11720	3.2
129.06862	3.4
131.08575	8.0
133.10156	9.0
135.08054	3.0
135.11691	49.1
137.13271	5.2
141.08981	4.1
145.10130	4.7
147.11659	3.4
149.13281	13.5
151.11223	13.4
151.14867	4.8
157.10129	4.0
161.13242	10.0
163.11256	8.5
163.14813	3.2
167.14297	6.1
173.98088	2.7
179.14287	100.0
180.14731	4.5
195.31950	2.8
233.22633	13.5
235.16910	3.3
238.07451	2.6
243.21101	3.9
259.20621	5.5
261.22104	6.7
277.21634	34.9
278.21957	2.8
279.23111	7.2
295.22803	3.7
296.25897	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.34155	2.2
53.03943	25.5
55.01880	11.3
55.03263	2.8
55.05503	30.8
57.03432	4.2
57.07065	10.9
67.05498	72.1
69.03425	3.0
69.07069	46.5
69.07419	1.6
71.04989	7.3
71.08629	11.5
71.41917	2.5
73.88486	2.3
79.05482	45.1
81.03409	85.8
81.07049	70.6
81.07501	4.5
82.03749	2.1
83.04969	22.4
83.08616	14.9
85.06545	5.7
85.10168	3.3
91.05472	28.9
93.07034	50.6
93.07602	3.3
95.04959	49.8
95.05531	3.6
95.08594	26.5
97.06556	4.4
97.10171	10.0
99.08075	4.9
105.07011	31.6
107.04933	2.9
107.08580	36.4
109.06524	11.5
109.10147	28.3
111.08059	3.7
113.09676	4.1
117.07018	4.9
119.08571	15.0
120.82125	2.2
121.10146	15.4
123.08063	5.1
123.11700	10.6
125.09623	10.5
129.06993	3.2
131.08595	5.2
133.10124	22.8
135.08047	4.0
135.11674	10.6
137.09634	3.3
137.13232	3.0
145.10080	4.2
147.11685	17.8
148.12044	2.5
149.13242	12.1
151.11174	68.2
152.11424	2.5
153.09061	5.7
153.12778	3.4
159.11671	3.2
161.09633	4.5
161.13249	15.6
163.11133	3.7
163.14832	6.8
165.12715	13.4
171.10287	3.4
171.11722	8.7
175.11220	4.4
175.14790	4.1
177.12769	3.8
179.14323	8.2
181.12279	2.8
185.13214	4.4
189.12714	4.2
193.12262	3.1
199.14847	2.7
207.13716	4.8
221.15407	3.5
231.21098	10.7
241.19553	6.6
247.47365	2.5
249.22122	10.3
259.20673	14.0
277.21609	100.0
278.22113	3.5
286.15643	2.6
295.22729	11.3
300.20410	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29673	3.5
56.82139	4.0
56.96561	39.6
64.39892	3.5
69.81262	14.2
84.96005	4.9
86.97591	4.6
98.22751	8.7
98.97569	74.2
110.97561	7.6
112.89581	52.4
116.98603	37.4
124.99089	6.4
132.18166	3.9
134.99637	12.2
140.98564	5.1
143.00160	15.0
158.99693	11.1
161.01241	8.8
177.00726	8.7
219.01784	36.6
237.02800	87.5
254.94095	4.8
255.03851	73.8
272.95172	11.2
273.05002	4.8
274.97659	7.7
279.03815	47.0
290.95468	4.2
292.98746	5.7
297.04886	100.0
315.05930	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	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76797	0.3
51.02378	0.9
53.03698	0.4
53.03942	5.9
55.01860	0.5
57.03420	0.6
69.03422	10.8
69.89581	0.9
71.04987	1.6
73.02950	0.2
79.01840	6.0
81.03408	49.1
82.03742	0.6
82.25711	0.2
85.02900	1.4
93.07067	0.3
97.02257	0.5
97.02882	6.8
99.04443	2.8
105.06995	0.4
107.01305	2.3
107.04933	0.3
107.08565	0.3
109.02867	18.8
123.00784	0.3
125.02341	4.2
127.03902	6.0
131.04916	0.4
131.08611	0.2
133.02785	0.2
135.00795	0.3
135.04369	1.2
143.03383	8.2
153.01811	100.0
153.02890	5.8
154.02124	1.7
159.04372	0.5
163.03845	0.3
169.10057	0.3
171.02856	3.1
179.03307	0.3
181.01276	0.7
194.07306	0.4
205.04887	0.7
207.02797	0.5
214.06989	0.3
214.08882	0.2
222.06612	0.3
233.04382	0.5
237.09142	0.3
261.03931	0.4
265.08548	0.6
292.42581	0.3
297.06024	26.2
297.10818	1.4
298.06320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
50.01592	0.3
51.02374	0.7
53.03942	5.5
55.01866	0.4
57.03429	0.4
59.59843	0.2
61.01147	0.4
63.16095	0.2
67.05481	0.2
69.03425	10.7
71.04985	2.0
73.68120	0.2
75.02690	0.2
79.01849	6.0
79.05523	0.2
81.03410	52.7
82.03741	0.6
82.06564	0.4
83.04989	0.2
84.04503	0.6
85.02887	1.2
91.05476	0.3
93.07044	0.3
95.04926	0.2
97.02881	5.9
99.04443	2.6
105.03385	0.2
107.01315	1.9
109.02869	18.4
110.03206	0.3
121.06489	0.2
122.62321	0.2
123.00802	0.2
124.07571	1.1
125.02334	4.8
127.03904	6.6
128.07072	0.5
133.02910	0.4
135.03448	0.2
135.04424	0.6
135.08087	0.2
136.06172	7.3
143.03386	8.3
147.04381	0.3
153.01813	100.0
153.02876	5.6
154.02147	2.0
154.04933	0.3
156.06535	0.8
159.04445	0.6
160.02664	0.2
161.02400	0.2
163.03851	1.1
170.02092	0.5
171.02864	4.2
174.07622	0.8
177.05470	0.2
179.03342	0.6
181.01317	0.4
187.03894	0.3
191.03407	0.5
193.04985	0.2
196.27242	0.2
205.04901	0.6
207.02898	0.4
233.04428	0.5
236.09154	0.3
237.03998	0.3
255.01862	0.2
297.06018	27.6
298.06525	0.9
298.09384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03941	3.2
53.85191	0.2
54.22609	0.2
55.01866	0.4
55.05492	0.7
57.03436	0.4
57.07057	0.2
58.39020	0.2
64.64621	0.2
65.00568	0.2
66.35890	0.2
67.05502	0.9
69.03420	3.3
69.07058	1.5
69.07770	1.3
70.07373	0.2
71.05002	0.9
71.08646	0.2
79.01849	5.5
79.05475	0.5
81.03407	10.2
81.07050	1.0
83.08628	0.3
85.02885	0.4
85.19886	0.2
91.05465	0.5
93.07036	0.8
95.04942	0.3
95.08594	0.7
97.02882	7.5
97.06507	0.2
98.97569	0.5
99.04423	1.6
105.07001	0.6
107.01297	2.1
107.08577	0.6
109.02869	6.1
109.06491	0.2
109.10155	0.3
116.98640	0.3
119.08551	0.3
121.06461	0.3
121.10119	0.4
123.00726	0.2
125.02332	4.0
127.03899	4.9
127.76925	0.2
131.04884	0.2
131.08546	0.3
133.10068	0.3
135.04385	0.7
135.08092	0.2
139.11195	0.2
143.03375	7.9
145.10130	0.3
147.11633	0.2
149.13194	0.2
153.01808	100.0
153.02884	5.7
154.02148	2.0
165.07019	0.3
169.10107	0.2
171.02859	3.6
177.06944	0.4
194.07198	0.8
205.06470	0.2
206.07010	0.2
222.06709	0.7
223.13188	0.2
237.09013	1.4
250.06279	0.5
265.08609	2.4
266.09103	0.2
274.97620	0.5
279.20755	0.2
282.08844	0.3
297.06000	6.4
297.11154	2.6
297.17166	0.4
297.21948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1695
Annotation	7-O-Methylpseudomajucin
Peak:m/z	Relative Intensity
53.03932	1.1
53.59612	0.7
53.83137	0.7
55.01874	1.8
55.05498	3.5
57.07063	1.0
59.04982	1.8
67.05494	7.0
69.03430	4.6
69.07060	4.0
69.22341	3.8
69.22749	1.1
71.04990	5.6
73.06551	0.7
75.21445	0.8
79.01846	1.6
79.05490	7.8
81.03410	5.4
81.07049	7.7
83.01344	0.7
83.04990	4.4
83.08619	1.8
84.13931	0.7
85.02896	1.5
85.06534	0.9
91.05470	7.7
93.07038	6.7
95.04962	3.1
95.08097	0.8
95.08598	4.7
97.02892	2.2
97.06510	2.6
97.10183	1.0
98.23518	1.2
99.04444	5.0
105.07030	10.5
107.04952	2.9
107.08587	43.9
109.02880	3.7
109.06503	3.4
109.10143	15.1
111.08069	0.9
117.07018	3.6
119.06043	1.4
119.08586	5.2
121.02899	0.8
121.06499	5.2
121.10158	4.0
123.04412	2.8
123.08074	1.5
124.05240	1.2
125.02337	1.3
125.05983	4.4
125.09626	29.0
127.03897	2.0
127.07534	2.3
128.06233	2.0
129.06975	1.9
131.04936	1.1
131.08583	6.0
133.06438	1.1
133.10089	4.1
135.04349	1.8
135.08054	3.2
135.11688	1.3
137.05956	2.7
139.07533	5.5
139.11205	1.9
141.05458	1.3
141.07014	1.4
143.03375	1.7
143.08562	6.0
145.06496	2.6
145.10081	4.4
146.07249	1.4
147.04408	0.9
147.08015	2.9
149.06035	1.2
149.09612	4.7
151.07523	4.1
152.04640	0.9
153.01819	21.0
153.02893	1.7
153.05426	7.2
155.07126	1.4
155.08533	2.5
157.10110	2.1
159.08075	4.5
159.11678	2.4
160.08849	1.5
161.05940	1.9
161.09608	10.8
163.07545	2.3
163.11168	2.1
164.04669	0.8
165.09123	1.2
167.07034	14.0
168.09239	0.9
171.06494	0.7
171.08034	2.5
173.13280	3.7
174.06740	7.1
174.16843	0.8
175.07565	4.1
175.11232	2.3
176.08293	1.5
177.09120	6.4
177.12617	0.8
179.06964	1.3
179.10645	1.1
181.08603	8.6
183.11617	4.6
186.10326	0.9
187.07590	1.9
187.11148	1.8
188.08313	1.1
189.09096	34.4
190.06271	2.1
190.09413	0.9
191.07011	3.2
191.10654	2.5
194.07242	1.1
201.12701	5.2
203.10635	1.1
205.08556	8.9
205.12210	1.2
207.10072	1.3
209.11583	1.7
215.14322	2.1
217.12151	1.1
219.09975	1.3
219.13730	1.3
221.11732	4.8
229.12193	5.4
233.15372	4.4
237.09117	1.3
243.13812	1.8
247.13290	6.9
251.16327	1.4
261.14847	8.6
265.08652	1.5
279.15884	61.5
280.16263	3.0
297.05991	2.8
297.11252	3.4
297.16934	100.0
298.17450	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	297.2422
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03934	4.5
55.01869	5.7
55.05506	25.9
56.96555	7.3
57.03429	4.2
57.07073	5.8
62.37128	2.2
67.05502	80.3
69.03428	3.5
69.07062	39.4
69.64880	6.8
69.65224	4.0
71.04982	7.1
71.08585	2.2
79.01840	3.4
79.05490	34.0
81.03413	4.9
81.07050	95.5
83.04972	7.1
83.08602	15.0
85.06539	5.2
91.05463	15.8
93.07040	38.3
95.04953	3.8
95.08596	96.3
97.02888	3.6
97.06505	8.9
97.10165	13.6
98.23344	2.6
98.97574	36.7
99.08114	2.7
105.07023	9.4
107.08559	21.8
109.02859	4.1
109.06500	3.1
109.10149	46.0
111.08072	3.8
111.11712	3.4
116.29909	2.2
116.98627	28.9
119.08573	9.3
121.10130	26.4
123.11700	18.9
125.09603	5.4
131.08607	6.7
133.10104	9.7
134.99670	15.1
135.11676	21.4
137.09651	2.7
137.13206	11.6
139.11128	4.7
143.03406	6.7
145.10118	7.2
147.11679	8.2
149.13237	5.5
151.11121	2.7
153.00742	2.4
153.01811	61.1
153.03029	3.6
158.01288	3.5
159.11623	6.1
161.13219	6.9
163.14801	2.4
165.12724	3.5
167.10556	2.6
173.13263	6.5
179.14299	3.9
183.69002	2.2
187.13298	2.9
187.14832	5.9
190.95320	3.3
194.07263	6.8
196.75230	2.5
205.06442	5.3
222.06741	3.8
223.16916	2.5
237.09076	8.6
243.21107	15.4
250.06357	2.3
250.97478	3.8
256.96405	4.1
261.22134	37.7
265.08548	9.1
266.09357	2.5
274.97498	41.0
279.23166	100.0
280.23599	2.7
292.98517	26.5
297.11127	20.1
297.24161	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	297.2423
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03946	1.9
55.01870	4.4
55.05508	26.5
56.96561	2.8
57.03426	5.4
57.07069	3.4
62.87312	1.8
65.03951	2.6
67.05499	86.8
69.03404	2.7
69.07066	34.3
71.04981	16.1
71.08636	2.5
71.42950	2.2
79.05486	37.7
81.07050	100.0
83.04981	7.0
83.08612	20.2
85.06512	13.2
91.05483	15.8
93.07035	34.6
95.08601	92.4
95.09219	4.3
96.08954	2.9
97.06519	8.8
97.10184	14.9
98.31777	2.1
98.97573	20.3
99.08095	3.1
105.07021	12.1
107.08611	22.5
109.06509	2.7
109.10149	37.8
111.08101	4.7
111.11726	5.2
116.98597	14.3
117.07011	2.8
119.08595	8.9
121.10153	18.6
123.11706	21.3
124.48384	2.0
125.09643	3.2
131.08592	7.7
133.06503	6.4
133.10117	12.8
134.99673	6.9
135.08031	2.7
135.11678	17.1
137.09612	3.2
137.13254	7.1
139.11241	2.3
145.10121	7.1
147.11688	9.1
149.09636	2.2
149.13287	8.5
151.11275	3.4
151.14716	2.6
153.12720	2.5
159.11659	4.7
161.13242	8.6
163.14801	2.7
164.95364	2.1
165.12704	2.7
173.13307	6.1
179.14343	4.7
184.08020	2.1
187.14796	4.6
189.11171	2.3
192.21465	2.0
209.15472	2.7
223.17026	3.0
243.21069	8.3
244.62506	2.3
256.96320	2.9
261.22141	23.2
274.97430	21.8
279.20126	3.3
279.23163	64.3
282.56549	2.3
292.95633	2.2
292.98492	13.5
297.23923	14.7
302.39642	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	297.2422
Annotation	9R-HODE
Peak:m/z	Relative Intensity
55.05511	26.2
57.07050	4.3
57.38711	3.4
63.16534	3.5
67.05502	78.5
69.07056	35.4
69.83807	13.8
71.04990	15.4
79.05502	27.4
79.54160	4.0
81.07046	100.0
81.43915	3.6
83.05002	3.7
83.08610	14.5
85.06520	11.0
91.05476	11.2
93.07035	35.5
95.08598	81.3
97.06528	5.5
97.10151	12.0
105.07005	7.9
107.08585	22.4
109.10147	40.1
116.35605	4.4
119.08611	5.1
121.10143	18.7
123.11699	14.1
131.08537	8.6
133.10101	10.7
135.11694	14.3
137.13239	10.4
145.10080	5.6
147.11679	11.7
149.13222	6.6
152.18877	3.9
161.13254	8.6
165.12711	3.7
166.69057	3.7
243.21175	6.4
261.22131	20.8
279.23181	61.1
297.24445	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	297.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	13.2
70.93741	1.3
78.26579	0.7
95.29427	0.7
98.97572	100.0
99.97878	0.9
106.17259	0.7
111.25753	0.7
116.98607	50.2
121.12392	0.7
130.93239	0.9
134.05495	0.8
134.99658	12.0
140.00168	1.1
153.00653	1.3
170.37563	0.8
172.94347	4.2
174.97580	0.7
177.00967	1.8
179.05180	0.7
190.95309	3.4
208.96454	1.0
212.92245	1.0
214.95363	2.0
217.98764	2.0
219.01929	6.8
230.93376	1.3
232.96399	4.8
234.99823	1.1
235.99805	3.4
236.99681	1.3
250.97504	2.5
255.93381	1.6
256.93567	1.1
256.96408	13.5
261.03046	4.3
273.94510	2.8
274.97470	75.8
275.97739	1.4
291.95560	0.9
292.98508	45.3
297.99124	1.0
298.97696	2.9
315.95767	1.1
316.00189	1.0
316.98718	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	13.3
57.03412	0.7
59.13179	0.7
69.03397	0.8
70.49518	0.8
70.92392	0.8
70.95859	0.9
71.23616	0.7
75.33883	0.8
81.03423	0.8
92.39708	0.8
98.97572	100.0
103.29387	0.7
116.98607	49.0
118.27828	0.7
119.07072	0.8
130.93271	1.5
134.98698	1.3
134.99637	15.0
140.00162	2.7
153.00714	1.8
153.01860	1.3
158.01265	7.0
168.03557	0.8
172.94344	4.1
174.97615	2.0
176.02284	2.9
184.50922	0.6
190.95377	5.8
192.98689	1.5
200.02362	4.7
208.96219	1.0
213.25319	0.7
214.95236	1.7
218.03310	2.2
224.33649	0.7
231.00340	1.3
232.96370	6.7
249.01286	1.9
250.97418	3.0
256.96252	11.0
274.97369	79.5
275.97806	1.4
292.98492	47.0
293.98892	0.8
298.05814	1.0
298.08902	1.4
298.98080	0.8
316.98730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
56.96560	0.1
57.03429	0.3
61.01145	6.0
62.28595	0.1
69.03431	0.7
69.53979	0.7
75.02701	3.0
79.01848	0.2
81.03416	0.8
82.03750	0.3
85.02882	0.3
94.04030	0.4
94.06558	0.4
97.02882	2.0
98.22792	0.3
98.97588	0.3
103.02160	0.4
109.02813	0.2
110.03207	0.2
116.98618	0.2
118.06524	0.3
119.03518	0.8
120.04463	0.9
130.06511	0.3
132.08064	0.3
136.06171	100.0
137.04576	0.5
137.06630	1.0
139.03880	0.4
145.03160	1.9
146.05995	1.0
148.07555	0.1
153.01830	1.1
154.02121	1.2
160.07603	0.6
163.04262	1.4
169.08400	0.1
172.07423	0.2
205.43703	0.1
217.14172	0.2
235.07643	0.2
238.10744	0.2
280.11887	0.4
292.98679	0.2
298.06326	0.4
298.09641	2.9
298.12784	0.8
299.10709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.274
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
52.51930	0.9
53.03954	1.0
55.05504	15.5
56.05032	8.4
56.96563	3.2
57.07059	4.4
58.02961	3.6
60.04526	3.2
62.96749	0.9
63.72013	0.9
67.05496	19.6
68.05007	2.4
69.07060	15.5
69.68536	1.9
69.68884	2.5
71.08624	2.9
72.04492	1.5
79.05483	15.2
80.05002	2.7
81.07044	17.4
82.06571	9.1
83.04960	1.0
83.08608	9.6
86.06080	3.3
91.05470	8.7
93.07043	8.2
94.06551	3.6
95.04964	1.3
95.08593	13.9
96.08115	2.6
97.06536	1.0
97.10163	3.8
98.06023	1.1
98.97568	22.3
100.07625	3.4
105.07033	4.3
107.08569	3.2
108.08076	1.4
109.10144	4.5
112.07583	1.2
116.98613	12.6
119.08568	3.8
121.10146	3.9
122.09680	1.5
123.11703	1.6
133.10127	2.7
134.99660	6.7
135.11699	1.6
136.06288	1.0
137.13263	0.9
147.11707	1.3
172.34499	0.9
172.94397	1.3
191.17963	1.2
205.17720	0.9
245.22565	1.7
250.25255	9.2
250.97797	1.1
256.96371	1.8
262.25293	3.9
274.97455	18.7
275.97968	1.2
280.26321	100.0
281.26724	5.6
292.98480	13.3
297.99023	1.5
298.27368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
53.71290	2.3
55.01870	9.5
55.05508	24.7
56.78501	2.0
57.03430	25.2
57.07069	2.5
59.05005	4.2
59.39043	1.7
61.02924	6.4
65.03938	2.7
67.05499	61.4
69.03423	81.1
69.07060	9.3
70.72511	3.1
71.01351	6.1
71.04987	47.0
73.02914	6.6
79.05484	16.8
81.03407	30.8
81.07050	41.3
83.04968	30.9
85.02898	52.3
85.06554	2.6
91.05476	19.2
91.42266	1.9
93.07034	27.4
95.04961	96.2
95.08596	56.9
96.05302	2.0
97.02891	20.9
97.06518	11.9
99.04447	82.4
99.08067	3.3
101.06018	2.6
103.03931	6.3
105.07034	13.9
107.04929	3.5
107.08575	19.0
109.02853	7.8
109.06514	37.3
109.10143	86.1
110.10475	2.1
111.03751	1.8
111.04442	8.8
111.08075	6.8
113.06008	5.1
115.03902	2.5
115.05444	3.3
117.07005	7.1
119.08566	13.6
121.06484	15.1
121.10133	5.8
123.04375	2.8
123.08068	10.4
125.05990	3.9
127.03892	29.0
127.04758	2.9
127.07529	2.5
128.06284	2.0
129.05460	7.0
129.06998	3.6
131.08572	5.7
133.06522	3.4
133.10124	6.7
135.08037	22.4
137.02347	5.3
137.05951	11.0
137.09604	100.0
141.06934	2.3
143.08591	3.7
145.04985	6.3
145.06404	2.8
145.10091	5.8
147.08028	4.5
149.06078	4.0
149.09608	14.3
151.07573	4.6
151.11163	5.2
153.01811	2.6
153.09090	21.1
155.10648	59.8
156.09213	1.9
156.10988	2.7
159.08038	6.0
161.09627	7.5
163.07593	3.2
165.09111	10.2
167.07010	3.1
167.10649	3.6
172.57916	1.8
173.09636	3.6
175.07578	7.1
175.11183	6.4
177.09085	11.0
179.10672	8.2
181.08571	2.3
189.09132	2.5
191.10617	4.3
198.07616	4.8
199.11232	2.2
203.10652	7.1
214.35646	1.8
215.10655	2.8
217.12210	3.6
219.10086	2.3
221.11684	2.9
227.10591	2.1
230.10149	2.2
233.11612	3.8
245.11671	4.2
263.12875	5.5
271.14099	2.1
281.13873	6.3
299.06143	3.1
299.09589	2.6
299.15045	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	300.024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	17.2
59.28240	2.2
69.03440	6.8
70.06590	5.5
70.64239	3.1
70.95864	3.6
72.08151	3.5
81.03430	4.9
83.05003	2.4
84.04491	2.6
84.08172	2.2
86.98994	3.2
98.23009	3.8
98.97575	100.0
99.04456	7.3
116.98610	72.7
119.01907	5.6
120.02057	2.8
134.06010	4.0
134.99644	41.9
135.06372	3.2
137.03020	2.6
140.00203	2.7
142.01831	3.2
152.07043	8.5
153.00694	4.5
153.01855	2.8
158.01279	6.7
160.02850	3.2
171.10950	2.7
171.97473	2.7
174.97598	3.1
175.97720	3.5
176.07664	3.3
177.00929	8.8
178.01018	5.8
188.07777	2.8
190.95360	6.7
192.98691	4.4
193.03304	5.8
193.98853	2.9
198.98543	7.6
204.02631	7.4
210.95897	7.5
215.09863	8.7
216.98682	6.4
219.02013	11.0
220.02223	7.3
232.96494	9.2
233.03645	5.8
233.10933	2.5
234.95987	9.3
234.99687	5.3
240.98753	6.3
250.01459	3.3
250.97450	6.9
252.02654	3.6
252.97087	10.2
257.97635	4.7
258.97485	2.5
258.99716	70.5
263.02951	8.7
267.95776	3.1
272.61115	2.3
275.99347	9.5
276.97131	21.7
277.00836	91.7
278.00922	5.9
294.98096	14.8
299.98093	9.4
300.04785	5.1
300.10239	7.5
300.97650	3.5
301.08936	66.7
317.98831	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	300.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
54.49775	0.6
55.01865	3.4
55.05491	2.2
56.05014	2.8
57.03419	1.3
58.99581	6.4
67.05487	7.9
69.03425	0.7
69.07049	1.4
70.55885	1.7
71.04972	0.8
72.08131	3.6
72.39845	0.6
75.30379	0.7
76.02192	2.0
79.05490	5.5
81.07047	8.8
85.01125	11.3
86.00641	25.2
86.99033	2.6
87.02679	13.9
88.03967	1.7
91.05470	2.2
93.07039	4.6
95.04954	1.2
95.08595	8.9
97.02870	0.6
97.06491	0.7
97.08900	0.7
98.09678	7.4
100.02177	0.8
105.00021	1.3
105.07029	3.2
107.04950	1.0
107.08567	2.6
109.06496	0.8
109.10135	6.5
110.09699	0.7
111.04425	0.7
113.04206	7.0
117.07024	0.9
119.04837	0.7
119.08556	2.2
121.06478	0.8
121.10095	1.4
122.02779	0.8
122.09644	1.8
123.08059	1.0
130.06781	2.0
131.01591	1.5
131.08539	1.3
132.01132	42.6
133.10078	1.6
135.07999	0.8
135.11649	1.1
137.09599	0.9
141.81830	0.7
145.10088	1.3
147.07986	0.9
149.05971	0.8
150.09195	0.7
151.14821	3.3
153.06897	0.6
156.08395	6.6
159.04735	31.9
161.13251	0.7
165.05632	0.6
176.07368	3.3
179.14319	4.7
181.06448	0.7
185.06229	1.1
191.14374	0.8
202.08937	100.0
203.09242	2.2
254.15683	1.9
254.19690	0.7
282.15085	0.9
283.16910	0.7
283.20627	0.9
285.07468	1.2
300.09628	1.4
300.13156	1.2
300.16248	9.2
300.20050	1.0
301.10742	2.1
301.17899	5.1
301.21646	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
56.96564	36.9
57.60335	0.9
58.33070	0.9
59.79662	0.8
60.08150	1.2
69.03419	2.7
70.06584	2.0
73.52190	1.0
79.86493	0.8
81.03413	1.9
83.97623	1.3
97.85282	0.9
97.99182	5.6
98.97578	1.3
99.04462	1.0
104.10736	21.0
112.00758	1.0
116.00203	3.0
116.98586	1.2
121.99139	3.2
124.00703	21.5
128.00188	1.1
136.00688	1.5
140.00192	19.1
141.03358	1.5
142.01758	100.0
148.02829	0.9
152.58961	1.0
154.01744	5.6
157.02856	2.2
158.01234	11.9
159.04408	8.9
160.02812	49.8
161.03201	1.0
161.04840	1.1
172.02713	4.5
172.94298	3.2
175.02728	1.3
176.02325	1.4
177.05496	2.8
178.03859	2.8
183.04503	1.0
185.02211	4.4
186.00717	7.0
190.95390	2.1
194.01154	1.3
194.04941	1.2
196.53333	1.0
203.03383	54.4
204.01802	6.1
204.03532	1.5
206.06964	0.9
210.19402	0.9
212.02298	1.3
216.89397	0.9
219.04364	2.6
221.04362	30.8
222.02760	1.3
222.04640	1.4
232.96478	3.1
237.05437	4.4
239.07063	5.3
250.97467	2.5
255.06454	0.9
257.08099	2.0
259.11328	2.0
265.04855	3.4
266.03412	2.0
273.75998	1.0
277.00562	0.9
283.05994	18.4
301.06754	63.2
302.07190	2.1
319.01263	3.3
319.08145	6.3
324.08615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1182
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
50.97170	0.4
53.03861	0.3
53.06724	0.3
55.01784	0.8
55.05386	1.2
55.05678	0.7
57.03342	0.7
57.03589	0.4
59.04813	0.4
65.03816	1.5
65.04176	0.7
67.05367	1.5
69.03314	0.9
69.03645	0.4
69.06926	0.9
69.63760	0.3
69.64097	1.1
70.06453	0.9
70.17312	0.3
71.04889	0.8
75.20325	0.3
79.05341	1.1
81.06907	1.6
82.02843	0.3
83.04862	0.8
85.02814	0.5
91.05344	1.8
92.04860	2.1
93.06898	1.6
95.04864	0.7
95.08461	1.8
97.06419	0.8
97.10047	0.4
105.06881	1.9
107.08441	1.7
108.04329	0.4
109.06364	0.4
109.09985	1.4
109.10671	0.4
111.04326	0.5
111.07934	0.8
111.28049	0.4
112.07511	0.7
115.05327	0.4
116.04636	0.4
117.05656	0.5
117.06906	0.7
119.08410	1.6
120.04406	2.0
121.10011	1.5
122.06008	1.7
122.09536	0.4
123.07980	0.7
127.82619	0.4
128.06082	0.7
129.05344	1.1
129.06894	0.8
131.08446	0.6
133.10121	1.7
134.05869	0.8
135.07904	0.4
136.07573	2.1
137.05859	0.6
139.07402	0.4
141.06868	0.6
142.06487	0.4
142.07645	0.6
143.07108	0.6
143.08405	1.0
144.07970	0.7
145.06360	0.5
145.09975	1.6
146.05945	0.4
147.07922	0.7
147.11580	0.9
148.03796	0.5
149.05821	1.1
152.06065	0.8
153.06819	1.0
154.06374	1.0
154.07628	0.8
155.08444	1.0
156.07967	0.9
157.08585	1.1
157.09981	0.9
157.11292	0.4
158.09528	0.5
159.09045	0.5
159.11543	1.0
160.07436	0.6
161.06985	0.5
161.09447	0.5
161.13071	0.4
162.05472	1.7
165.06857	1.2
167.07170	2.3
167.08472	0.7
168.08061	1.9
169.07492	0.8
169.08725	1.2
169.10008	0.9
170.08272	1.4
170.09576	1.0
171.11609	0.6
172.07472	0.9
173.06993	0.8
173.09537	0.7
173.13152	0.4
175.71304	0.4
177.05383	1.0
181.06406	0.8
181.08809	0.5
182.05898	0.6
182.09599	2.4
183.09135	2.5
184.07481	0.7
184.09856	3.6
184.11185	1.6
185.06999	0.7
185.10551	1.1
186.09068	0.4
187.08690	2.3
187.14685	0.4
195.06578	0.6
196.07431	1.1
197.06972	3.1
197.08388	0.8
197.10631	0.8
197.13202	0.6
198.07770	3.7
198.08951	0.5
198.11290	0.3
199.08524	1.4
199.10666	0.5
199.12314	6.8
200.10651	1.0
200.46935	0.4
209.10608	1.3
210.09123	7.3
211.06792	0.5
211.08612	6.6
211.14548	0.5
212.09210	10.3
213.06653	0.4
213.10231	5.0
214.10696	0.4
222.07799	0.5
225.06612	2.3
225.10153	1.2
226.07388	3.1
226.10912	1.4
227.08035	1.0
227.11755	26.9
228.12062	1.3
237.10217	2.6
237.16287	0.4
238.08600	2.3
239.08087	3.0
240.08905	14.2
241.09721	17.2
242.09755	0.5
253.09616	0.7
254.10442	1.1
255.11255	100.0
256.11609	4.8
257.12811	3.3
269.08197	0.7
273.12375	1.0
273.15582	0.4
283.10739	26.8
283.17126	0.8
283.20569	0.6
284.11081	1.5
301.11777	17.5
301.18030	3.8
301.21698	3.1
301.24979	0.6
302.12088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76329	0.5
55.05480	0.7
62.10224	0.6
67.05505	3.0
69.03403	1.6
69.07061	0.8
69.29687	1.3
69.30089	1.6
70.06575	2.0
71.04973	0.5
73.02909	0.7
79.05462	0.7
81.03384	1.3
83.04960	1.1
85.02893	4.0
94.06550	0.6
95.04966	4.3
97.02891	3.8
105.15800	0.5
109.02855	1.3
111.04383	0.5
111.08152	0.8
112.07593	4.9
121.02786	0.7
127.03894	1.3
130.05013	0.6
137.05937	0.6
139.03859	2.5
140.07051	8.2
145.05005	0.6
149.05925	0.6
149.96690	0.5
151.03842	0.6
154.08578	0.7
155.81802	0.6
170.08038	0.6
177.05429	0.6
181.87370	0.5
182.08138	4.8
206.08090	1.1
237.00600	0.7
248.09027	0.6
255.01692	0.6
269.06238	0.9
273.02731	0.8
294.38126	0.5
301.09247	4.0
301.12476	100.0
302.12851	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13854	0.4
56.96548	1.0
66.08643	0.5
69.83767	1.1
69.84122	0.8
76.39034	0.5
81.07047	0.5
83.04935	0.6
85.02913	0.9
96.06863	2.7
98.23477	0.8
98.97591	0.9
122.55460	0.4
125.07107	2.9
125.07854	0.5
127.38773	0.4
171.07614	7.2
190.95366	0.6
200.14442	0.5
232.96404	0.6
255.01765	1.0
266.74130	0.4
269.14902	3.5
301.12506	100.0
301.17200	4.4
302.12759	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01868	36.0
55.05508	31.4
57.03432	56.5
57.07069	1.5
60.02140	1.6
61.02905	3.0
67.05497	27.9
69.03429	8.3
69.07057	11.5
69.77466	1.6
69.77785	2.7
70.04195	1.5
71.04977	3.1
73.02921	18.8
77.03918	1.5
79.05488	31.7
80.27649	1.4
81.03416	9.5
81.07048	20.7
82.04191	6.8
83.04517	2.1
83.04974	20.3
83.08620	12.7
84.05756	2.2
85.02903	2.6
85.06557	2.5
91.05476	19.2
93.07040	17.7
94.07823	1.8
95.04958	11.9
95.08588	8.5
97.02878	3.5
97.06507	9.9
97.10165	21.8
98.07320	11.9
101.06028	2.9
105.07030	10.4
107.04950	3.9
107.08576	15.1
109.06499	3.0
109.10143	5.0
111.04427	2.2
111.08073	4.9
116.03914	2.8
116.04703	44.8
116.63055	1.3
117.06999	4.0
119.08570	8.2
121.06468	1.9
121.10110	6.1
123.08054	6.7
125.09624	22.2
126.10394	1.5
129.05469	100.0
129.07010	3.7
131.08543	5.4
133.10088	7.7
135.08020	5.0
135.11676	3.8
137.09584	1.6
143.07037	22.7
143.08241	1.6
143.08592	1.2
143.10680	1.6
145.06552	1.6
145.10088	4.2
147.08023	1.7
147.11679	5.6
149.09627	3.8
153.09047	1.3
157.08607	41.4
157.10114	5.6
159.11562	1.6
163.11166	5.3
164.11938	1.9
165.12781	2.8
171.10168	13.4
173.09540	1.6
175.11174	5.0
185.11740	3.5
189.11215	27.4
192.11392	1.6
193.12294	3.7
199.13281	8.3
200.14058	11.0
209.11688	2.4
210.12456	1.7
213.14787	1.5
227.12679	14.0
301.16449	38.5
301.21548	3.1
302.16876	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42733	1.9
53.03926	2.4
55.01870	34.2
55.05507	40.4
57.03432	54.5
57.07065	2.9
60.02137	2.2
61.02914	3.0
67.05494	27.5
69.03416	7.3
69.07059	11.2
71.04990	3.7
73.02918	20.1
74.83466	1.8
75.10406	2.2
79.05490	28.6
80.06269	2.2
81.03416	8.8
81.07049	25.1
82.04202	5.5
83.04975	23.2
83.08601	8.7
85.02888	2.8
85.06518	2.4
87.04514	3.1
91.05470	19.3
93.07046	16.8
95.04962	13.6
95.08600	8.8
97.06544	10.8
97.10168	20.5
98.07308	12.3
101.06004	2.8
105.07031	11.1
107.04935	3.5
107.08587	13.0
109.06458	3.5
109.10149	4.9
111.08086	4.8
116.04703	41.7
117.06993	3.9
119.08564	8.2
121.06479	2.2
121.10146	5.5
123.08044	5.8
125.09625	22.9
129.05467	100.0
129.06921	4.1
130.05856	2.1
131.08546	6.5
133.10135	6.7
135.08020	3.7
135.11636	5.8
137.09595	2.8
140.21590	1.8
143.07033	21.8
143.35680	2.3
145.10129	3.4
147.11618	6.0
149.09608	2.5
153.09119	3.8
157.08589	41.0
157.10068	6.0
160.45889	1.9
161.63988	2.2
163.11140	4.3
165.12654	2.4
171.10184	12.1
175.11252	3.2
181.32764	2.0
185.11729	3.0
189.11218	27.6
193.12146	4.0
199.13261	6.9
200.14043	9.5
227.12766	12.3
255.21150	2.9
256.58807	2.2
300.47641	1.9
301.16458	39.6
301.21640	4.1
302.30435	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1796
Annotation	16-nor-15-Oxoabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
55.01862	0.3
55.05494	0.3
55.75806	0.2
67.05495	0.5
69.03407	0.5
69.07067	0.6
71.04981	0.3
71.49747	0.2
73.78842	0.2
79.05462	0.8
81.07043	1.7
83.04999	0.4
91.05466	1.8
93.07024	2.1
95.04974	0.4
95.08584	0.7
97.06498	0.3
99.04418	0.3
105.07036	3.0
107.04980	0.2
107.08556	0.7
109.06512	0.9
111.08064	0.5
115.05396	0.3
117.07030	1.1
119.04925	0.7
119.08567	1.4
121.06510	1.0
123.04381	0.4
128.06180	0.5
129.06979	0.7
130.07805	0.3
131.08539	1.8
133.06482	0.3
133.10106	1.4
135.07944	0.2
137.05939	1.1
141.06976	0.5
142.07762	0.4
143.08557	2.6
145.06439	0.6
145.10112	4.3
147.08014	0.7
147.11658	1.5
153.07002	0.4
154.07742	0.2
154.85829	0.2
155.08528	1.4
156.09286	0.2
157.06421	0.2
157.10126	1.4
158.07339	0.2
159.08049	0.7
159.11667	0.8
161.09622	0.5
161.13197	0.2
163.07521	0.3
165.07001	0.7
166.07729	0.4
167.08582	1.0
168.09319	0.4
169.10081	1.3
171.08046	1.2
171.11673	0.8
173.09590	3.4
173.13293	0.2
175.11195	1.7
177.09105	0.3
179.08557	1.1
180.09323	0.6
181.10091	2.1
182.10925	1.0
183.08057	0.4
183.11653	2.1
184.08771	0.2
185.09593	0.9
185.13219	3.0
187.14929	0.2
189.09106	1.0
192.09370	0.2
193.10077	1.0
194.10939	0.4
195.08055	0.7
195.11652	3.0
196.12474	0.6
197.09579	1.6
197.13223	2.8
198.10364	0.3
198.14005	0.9
199.11162	1.4
199.14847	1.1
201.12715	0.5
203.08690	0.2
205.10077	0.4
207.11723	1.1
208.08905	0.3
208.12425	0.3
209.09583	1.0
209.13248	1.8
210.10355	0.6
210.13950	0.5
211.11143	0.8
211.14742	1.6
212.11974	0.7
213.12727	1.9
213.16322	0.4
215.14304	0.7
217.10143	0.7
218.10878	0.3
219.11761	0.4
221.09607	0.6
221.13287	0.8
222.13945	0.7
223.11151	1.4
223.14688	1.1
224.11864	0.4
225.12679	2.5
226.13477	0.2
227.14333	1.0
227.17935	0.3
232.12413	0.7
234.13979	0.3
235.11176	1.3
235.14781	0.5
236.11882	0.6
237.12633	0.6
237.16354	4.4
239.14281	2.7
240.14935	0.5
241.15709	0.4
243.13765	0.6
247.14746	1.1
250.13469	2.0
251.14249	0.3
253.15823	0.3
255.17422	2.7
265.15848	5.5
266.16281	0.4
268.14563	0.7
273.18460	1.0
283.16891	17.6
284.17236	0.8
301.17938	100.0
302.18323	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	301.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01863	11.1
55.05513	24.8
57.03437	16.4
57.07067	3.4
59.04990	4.0
65.03926	2.9
67.05502	31.4
69.03415	10.3
69.07066	17.2
69.18261	16.5
71.04991	45.7
73.02908	5.1
79.05486	32.6
81.03394	7.9
81.07052	51.0
83.04964	10.8
83.08601	6.0
85.02911	4.0
91.05476	37.5
93.06451	3.5
93.07036	63.6
95.04970	22.1
95.08597	25.0
97.06515	13.2
97.10163	7.7
98.07363	3.5
98.97537	2.8
99.08111	3.2
103.05495	3.4
105.04571	2.6
105.07024	89.6
107.04964	5.0
107.07941	2.2
107.08585	64.1
109.06543	13.9
109.10142	25.1
111.08065	12.0
116.04693	7.1
117.07035	13.9
119.08572	47.9
121.06501	8.4
121.10146	39.1
123.08060	12.2
123.11674	5.4
125.09576	13.1
127.11181	4.9
129.05473	17.5
129.07010	6.8
131.08546	26.9
133.10121	100.0
135.08037	10.9
135.11693	31.0
137.09581	15.5
142.07784	2.6
143.08534	11.6
145.10110	45.9
147.08028	5.6
147.11676	23.0
149.09572	7.6
149.13240	5.6
151.11232	4.5
153.12726	3.5
155.08539	5.6
157.08594	10.4
157.10127	18.5
159.11693	24.4
161.09589	16.2
161.13263	5.5
163.11169	74.4
169.10115	5.7
171.10139	6.0
171.11653	10.9
173.09636	5.0
173.13229	19.9
175.11174	8.8
179.10666	4.0
181.12175	5.1
183.11665	4.9
185.13203	3.5
187.11151	4.8
187.14822	12.6
189.11237	3.5
189.12692	3.4
191.10689	2.9
191.14316	27.2
195.11707	3.4
197.13187	13.2
199.13229	3.3
199.14865	3.2
201.16399	11.1
203.14288	3.7
209.11658	5.0
213.12860	3.3
213.16394	5.8
215.14328	16.0
217.15866	21.0
223.14973	2.7
231.17435	6.8
243.17442	12.2
245.15402	4.1
265.19513	3.4
283.20538	10.7
301.07584	7.2
301.10956	3.8
301.16599	14.4
301.21530	66.6
302.21680	5.1
307.74088	3.0
322.62744	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	301.2161
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03954	2.7
55.01863	11.1
55.05513	24.8
57.03437	16.4
57.07067	3.4
59.04990	4.0
65.03926	2.9
67.05502	31.4
69.03415	10.3
69.07066	17.2
69.18261	16.5
71.04991	45.7
73.02908	5.1
79.05486	32.6
81.03394	7.9
81.07052	51.0
83.04964	10.8
83.08601	6.0
85.02911	4.0
91.05476	37.5
93.06451	3.5
93.07036	63.6
95.04970	22.1
95.08597	25.0
97.06515	13.2
97.10163	7.7
98.07363	3.5
98.97537	2.8
99.08111	3.2
103.05495	3.4
105.04571	2.6
105.07024	89.6
107.04964	5.0
107.07941	2.2
107.08585	64.1
109.06543	13.9
109.10142	25.1
111.08065	12.0
116.04693	7.1
117.07035	13.9
119.08572	47.9
121.06501	8.4
121.10146	39.1
123.08060	12.2
123.11674	5.4
125.09576	13.1
127.11181	4.9
129.05473	17.5
129.07010	6.8
131.08546	26.9
133.10121	100.0
135.08037	10.9
135.11693	31.0
137.09581	15.5
142.07784	2.6
143.08534	11.6
145.10110	45.9
147.08028	5.6
147.11676	23.0
149.09572	7.6
149.13240	5.6
151.11232	4.5
153.12726	3.5
155.08539	5.6
157.08594	10.4
157.10127	18.5
159.11693	24.4
161.09589	16.2
161.13263	5.5
163.11169	74.4
169.10115	5.7
171.10139	6.0
171.11653	10.9
173.09636	5.0
173.13229	19.9
175.11174	8.8
179.10666	4.0
181.12175	5.1
183.11665	4.9
185.13203	3.5
187.11151	4.8
187.14822	12.6
189.11237	3.5
189.12692	3.4
191.10689	2.9
191.14316	27.2
195.11707	3.4
197.13187	13.2
199.13229	3.3
199.14865	3.2
201.16399	11.1
203.14288	3.7
209.11658	5.0
213.12860	3.3
213.16394	5.8
215.14328	16.0
217.15866	21.0
223.14973	2.7
231.17435	6.8
243.17442	12.2
245.15402	4.1
265.19513	3.4
283.20538	10.7
301.07584	7.2
301.10956	3.8
301.16599	14.4
301.21530	66.6
302.21680	5.1
307.74088	3.0
322.62744	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27624	1.7
53.03929	2.1
53.98524	1.6
55.01864	3.6
56.96558	2.7
57.03421	2.3
58.27244	1.8
61.02908	3.9
65.03908	2.8
65.23219	1.5
67.05158	3.4
67.05499	45.7
69.03427	17.4
69.07059	13.0
69.31301	7.7
70.06577	16.1
73.02898	2.1
73.35727	1.8
81.03413	9.1
85.02898	53.3
91.05450	2.2
94.06544	2.8
94.72850	1.8
95.04955	55.3
97.02880	38.6
98.23471	3.7
103.03873	3.5
107.04976	2.3
109.02879	12.0
112.06798	2.0
112.07589	38.8
113.05932	3.4
119.04937	3.4
122.05986	2.9
123.04421	24.9
127.03917	9.4
131.12523	2.1
135.04413	2.6
139.03851	6.4
140.07043	100.0
145.04901	5.0
147.04382	12.9
151.03877	41.5
154.08623	6.5
161.06027	2.5
163.00749	3.6
163.03888	2.4
165.05502	6.4
170.23203	1.9
173.02383	3.3
173.05946	2.0
178.08629	2.2
181.01697	2.1
181.04971	3.8
182.08105	62.4
191.98413	1.8
192.98013	1.7
193.05005	2.5
196.86603	1.6
201.01746	7.1
206.08098	15.3
207.06537	2.3
217.01723	3.9
218.08003	2.3
219.03061	2.2
229.01239	6.4
235.02710	5.8
236.09155	3.1
247.02338	5.9
248.09154	5.4
253.03603	2.3
257.00839	11.7
271.04727	3.3
275.01797	9.1
285.00256	7.2
297.02682	3.7
302.12509	5.5
303.01318	58.0
303.04922	4.0
303.08582	18.2
303.13480	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64664	2.5
53.03940	4.6
55.01872	4.7
55.05501	3.9
56.75713	2.6
56.96593	2.8
57.03440	3.9
61.02931	4.0
65.03920	4.0
66.10519	2.8
67.05496	14.5
69.03425	19.8
69.15894	3.0
70.06586	32.0
71.43417	2.6
71.44075	2.6
72.08146	4.3
73.02921	4.6
77.52039	3.0
77.55181	2.4
79.05499	7.6
81.03423	12.1
81.07051	8.7
84.04530	3.7
85.02901	100.0
85.06541	3.0
86.09716	4.6
90.05515	2.7
91.05489	4.8
93.07037	3.1
94.06573	3.8
95.04963	8.4
95.08604	4.6
97.02887	47.3
99.04461	3.8
103.03953	3.3
108.08096	15.9
109.02887	15.1
109.77654	2.6
112.07587	20.9
122.06027	11.0
123.04424	9.4
125.05983	5.8
126.05532	11.8
126.09164	2.6
127.03077	4.0
127.03892	19.9
130.06560	7.3
136.07581	22.9
137.05959	4.2
138.06285	5.1
140.07050	52.5
140.08022	4.8
143.11816	3.3
144.13773	3.2
145.04970	9.5
147.04422	4.6
149.05975	3.3
150.09123	6.2
151.03937	12.1
152.07059	15.5
154.08600	5.9
156.86873	3.6
158.11790	17.9
163.04018	3.1
164.07050	24.2
178.05826	5.4
178.08578	15.9
182.08131	85.5
182.09662	5.5
201.01875	8.7
206.08118	44.2
206.09943	3.7
218.08348	3.9
229.01195	3.0
236.09247	4.0
247.02341	5.1
248.09190	5.4
257.00815	11.0
275.01880	7.6
285.00320	5.0
302.11685	6.1
302.19482	15.9
303.01395	53.6
303.04889	6.4
303.08658	9.4
314.39136	2.9
324.17123	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	302.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01863	2.4
57.03433	5.8
59.53875	0.5
61.02921	10.2
67.05495	2.0
68.99769	1.3
69.03063	1.3
69.03423	17.2
69.07061	0.7
70.06586	3.4
70.98197	0.7
71.04974	2.2
73.02914	4.1
73.59483	0.6
79.05484	2.4
81.03412	8.2
83.01335	0.7
85.02896	100.0
85.06531	6.2
86.03228	1.5
86.09695	0.7
87.04465	2.3
89.13258	0.6
91.03953	7.5
91.04950	0.6
91.05470	4.1
92.12136	0.6
95.04962	1.9
95.08575	1.7
97.02885	21.5
97.06536	0.8
99.04445	4.4
103.03909	0.7
105.07021	9.0
106.07350	0.7
109.02864	9.5
111.00794	1.1
112.07600	2.5
115.03920	1.1
115.05473	0.8
117.07040	0.8
119.08598	1.0
121.02826	0.8
121.06545	0.9
123.08106	0.9
127.03902	23.3
128.06252	0.8
129.06987	2.2
131.08560	0.9
133.10136	1.3
137.02345	4.3
137.05954	1.6
140.07022	0.8
141.06961	0.8
141.09113	1.0
143.08549	2.6
145.04947	40.9
145.10126	2.1
147.07983	1.7
149.05995	0.9
153.01837	5.3
153.06989	1.0
155.08569	0.6
157.10133	1.0
159.07959	0.9
161.09534	0.7
163.03940	1.1
163.06013	11.1
165.01852	1.7
171.08044	1.8
173.05972	1.2
173.09624	1.8
180.08728	2.4
181.06476	1.5
183.02882	1.2
189.09134	1.2
199.07492	1.4
201.01692	0.7
201.05469	2.8
213.09099	0.7
217.08611	0.9
229.04999	6.9
239.17941	0.8
247.05913	0.8
257.00858	0.7
257.04440	2.5
257.11700	1.5
267.17465	2.4
270.92520	0.6
274.04761	0.9
275.01663	0.8
284.17209	1.2
285.00378	0.8
285.03897	1.4
285.15277	1.2
285.18527	4.4
300.36215	0.7
302.18277	3.4
303.01407	4.1
303.04926	50.9
303.19485	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	303.0133
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
52.78571	0.1
52.91121	0.2
57.33273	0.2
65.03909	0.3
67.05492	0.2
68.31034	0.2
68.99757	0.4
71.94513	0.2
79.05436	0.7
81.03352	0.2
84.04445	0.6
85.02879	0.2
85.06498	0.5
86.09663	0.3
88.11224	0.2
89.03881	0.6
91.05489	1.4
93.07000	0.2
95.04918	0.4
95.08567	0.2
100.67194	0.2
103.05396	0.3
105.03354	0.2
105.06966	0.3
107.04872	0.5
109.02885	0.2
109.09409	0.2
111.00739	0.2
111.04356	0.2
117.03375	1.4
118.83443	0.2
119.04888	0.5
121.02782	0.2
121.06464	0.3
123.04417	0.3
129.03310	0.5
129.05339	0.2
130.04961	0.2
135.04353	0.4
137.02271	0.6
137.05937	0.4
145.02823	2.4
145.39931	0.2
147.04396	1.7
147.08005	0.2
151.03860	0.5
151.07489	0.2
153.01794	0.7
153.05380	0.4
154.12219	0.7
157.02814	1.4
163.03941	1.3
173.02330	5.2
175.03865	1.2
183.00732	0.8
185.02284	1.3
189.01779	0.3
191.03384	2.1
200.86835	0.2
201.01804	12.5
202.02174	0.5
203.03365	2.0
205.01221	0.2
207.02919	0.2
213.01772	2.2
217.01315	0.3
219.02856	1.6
229.01305	9.6
229.05003	0.6
230.01680	0.4
231.02855	3.4
241.01237	1.6
247.02345	9.1
257.00790	22.0
258.01123	0.7
259.02344	3.0
267.12286	0.3
275.01834	16.3
276.02261	0.7
285.00275	16.0
285.14624	0.3
286.00824	1.1
303.01349	100.0
303.04852	8.3
304.01639	4.0
304.04947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78571	0.1
52.91121	0.2
57.33273	0.2
65.03909	0.3
67.05492	0.2
68.31034	0.2
68.99757	0.4
71.94513	0.2
79.05436	0.7
81.03352	0.2
84.04445	0.6
85.02879	0.2
85.06498	0.5
86.09663	0.3
88.11224	0.2
89.03881	0.6
91.05489	1.4
93.07000	0.2
95.04918	0.4
95.08567	0.2
100.67194	0.2
103.05396	0.3
105.03354	0.2
105.06966	0.3
107.04872	0.5
109.02885	0.2
109.09409	0.2
111.00739	0.2
111.04356	0.2
117.03375	1.4
118.83443	0.2
119.04888	0.5
121.02782	0.2
121.06464	0.3
123.04417	0.3
129.03310	0.5
129.05339	0.2
130.04961	0.2
135.04353	0.4
137.02271	0.6
137.05937	0.4
145.02823	2.4
145.39931	0.2
147.04396	1.7
147.08005	0.2
151.03860	0.5
151.07489	0.2
153.01794	0.7
153.05380	0.4
154.12219	0.7
157.02814	1.4
163.03941	1.3
173.02330	5.2
175.03865	1.2
183.00732	0.8
185.02284	1.3
189.01779	0.3
191.03384	2.1
200.86835	0.2
201.01804	12.5
202.02174	0.5
203.03365	2.0
205.01221	0.2
207.02919	0.2
213.01772	2.2
217.01315	0.3
219.02856	1.6
229.01305	9.6
229.05003	0.6
230.01680	0.4
231.02855	3.4
241.01237	1.6
247.02345	9.1
257.00790	22.0
258.01123	0.7
259.02344	3.0
267.12286	0.3
275.01834	16.3
276.02261	0.7
285.00275	16.0
285.14624	0.3
286.00824	1.1
303.01349	100.0
303.04852	8.3
304.01639	4.0
304.04947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0133
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
55.01864	0.2
55.05509	0.2
57.07087	0.2
62.15934	0.2
67.01860	0.2
67.05508	0.9
67.05811	0.2
68.99791	0.6
69.03406	0.4
70.06587	0.9
71.86181	0.2
72.08138	0.6
79.05499	0.5
81.07047	0.6
84.08132	0.2
85.02895	1.0
85.06533	0.7
89.03928	0.7
91.05474	1.4
93.07043	0.4
95.04962	0.4
95.08590	1.7
96.45674	0.2
107.04900	0.3
110.07141	0.4
112.07578	0.5
117.03357	1.5
119.04924	1.0
122.06026	0.3
123.04433	1.5
123.08041	0.8
127.03959	0.2
129.03331	0.6
131.04950	0.2
133.02859	0.3
135.04381	0.6
135.99471	0.2
136.07530	0.3
137.02304	0.3
137.05949	0.4
139.03864	0.4
141.09065	1.0
145.02835	2.3
147.04370	2.3
149.02379	0.4
149.05974	0.5
150.06380	0.4
151.03885	2.9
152.04121	0.2
153.01831	0.4
153.05438	0.2
157.02795	1.1
158.11742	0.2
161.02301	0.2
161.05945	0.5
163.03900	1.5
164.07076	0.2
165.05460	0.3
173.02312	5.5
173.05922	0.4
175.03845	1.6
177.01813	0.2
177.05495	0.3
178.05646	0.2
183.00810	0.4
185.02287	1.2
189.01814	0.2
191.03358	2.3
193.04906	0.2
201.01796	13.2
202.02174	0.6
203.03351	2.2
207.02931	0.3
211.00256	0.4
213.01804	1.7
217.01390	0.6
219.02882	1.9
229.01285	10.4
229.04936	0.5
230.01776	0.4
231.02852	3.5
239.03351	0.3
241.01279	1.4
247.02333	9.4
257.00775	22.4
258.01099	0.7
259.02341	3.3
275.01816	19.2
276.02295	0.6
285.00262	16.7
285.03653	1.1
285.12354	0.6
286.00824	1.3
302.19431	0.3
302.46216	0.2
303.01309	100.0
303.04550	4.3
303.08603	2.0
304.01657	4.1
304.04916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26633	0.4
56.96555	0.8
58.43551	0.4
69.62873	1.4
98.96990	0.5
98.97578	6.7
99.97900	0.6
101.00867	2.1
101.78819	0.4
102.96829	1.1
103.97232	0.4
116.98617	4.2
119.01919	5.8
120.02006	0.9
120.97837	0.6
134.99670	1.7
137.02943	1.0
146.57608	0.4
158.99884	1.0
159.99988	0.5
177.00920	11.4
178.00987	3.4
179.00713	0.9
182.89903	0.4
182.99812	0.5
201.00931	1.9
202.01024	0.7
217.04083	2.2
218.04120	0.8
219.01987	19.2
220.02092	4.9
221.01791	1.5
225.00883	2.0
226.01112	0.5
232.96526	0.4
234.99724	0.9
243.01947	9.3
244.02052	2.9
245.01816	0.6
261.03021	100.0
262.03149	29.0
262.98999	0.4
262.99982	0.5
263.02878	5.9
278.97446	0.9
279.00607	4.1
279.97443	0.6
280.00983	1.3
282.99902	0.6
284.04623	1.2
284.99765	2.2
285.04398	0.9
296.98032	0.6
301.00900	0.7
302.97083	1.4
303.00827	4.1
303.05960	4.3
304.05573	1.2
320.98212	2.8
321.01694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52690	0.2
53.03929	0.3
55.01857	0.7
55.06020	0.2
56.46218	0.2
65.03923	0.8
67.01860	0.5
67.05482	0.6
68.99786	2.3
69.03407	0.6
69.07059	0.3
73.60249	0.2
78.80627	0.2
79.05499	0.3
79.74524	0.1
81.03400	1.5
81.07048	0.3
81.35763	0.2
85.06522	0.3
91.05482	0.6
93.03384	0.8
93.06993	0.2
95.04975	0.8
95.08603	0.4
97.02876	0.2
98.22607	0.3
105.03319	0.3
105.06995	0.4
107.04956	0.2
109.02863	1.0
109.10120	0.3
111.00793	2.3
115.05442	0.3
117.07001	0.7
119.08613	0.2
121.02854	2.7
121.06516	0.3
122.05959	0.2
123.04451	0.9
127.03905	0.8
129.06982	0.3
131.04919	0.4
131.08528	0.3
133.02806	0.3
133.06465	0.2
135.04399	0.6
136.07553	0.4
137.02330	9.5
137.03368	0.4
137.05959	0.3
138.02669	0.2
138.65625	0.2
145.06422	1.0
145.10052	0.3
147.08028	0.3
147.11659	0.2
149.02316	1.0
153.01810	12.1
155.04877	1.2
155.06003	0.3
155.08603	0.3
159.04369	0.4
161.05975	0.7
161.09494	0.2
163.03905	1.4
165.01811	4.6
166.02577	0.5
173.05956	1.9
173.09653	1.1
177.01820	0.3
177.05391	0.5
179.03342	0.5
183.02856	1.7
183.04402	1.5
185.05888	0.2
187.03865	1.1
191.03392	0.6
191.06967	0.3
191.10635	0.6
195.02838	0.5
201.01639	0.2
201.05457	5.1
202.05612	0.2
203.03358	0.2
205.04880	0.4
207.02818	0.2
209.11711	0.2
211.03835	0.2
213.05368	0.3
215.03395	0.3
217.04832	0.2
219.02863	0.4
219.06500	0.7
228.04224	0.9
229.04939	11.0
230.05270	0.5
239.03346	0.5
245.04492	0.3
247.06024	0.9
257.00769	0.2
257.01324	0.3
257.04437	5.7
257.12875	0.4
258.04865	0.3
267.17465	0.2
274.04697	1.6
275.05304	0.6
285.03903	2.5
285.18420	1.1
303.04941	100.0
303.19473	2.2
304.01947	0.4
304.05283	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03934	0.2
54.58665	0.1
55.01857	0.5
57.07058	0.3
65.03931	0.7
67.01849	0.5
67.05498	0.7
68.99416	0.2
68.99780	2.6
69.03410	0.3
69.46971	0.6
81.03405	1.0
81.07032	0.2
85.02888	0.5
85.06535	4.6
91.05488	0.3
93.03404	0.6
95.04961	1.1
97.02879	0.4
98.33753	0.1
103.05434	0.2
105.03366	0.3
105.07018	0.3
107.01289	0.2
107.04938	0.3
109.02866	1.3
110.03669	0.2
110.32757	0.1
111.00793	2.0
111.04400	0.2
115.05409	0.1
117.06971	0.6
119.04932	0.1
121.02850	2.3
121.06447	0.2
123.04418	1.0
127.03882	0.6
127.05339	0.1
128.06166	0.1
129.06982	0.3
131.04893	0.4
133.02838	0.4
133.06445	0.2
135.04398	0.6
137.02332	8.9
137.03442	0.7
141.09082	0.5
145.02866	0.3
145.06441	0.8
149.02325	1.0
153.01807	13.0
154.02101	0.2
155.04898	1.3
155.06027	0.2
157.06502	0.2
159.04430	0.4
159.10129	0.2
161.05957	0.9
163.03882	1.6
165.00424	0.3
165.01817	4.4
166.02646	0.6
167.03300	0.1
173.05977	1.6
176.04585	0.2
177.01839	0.4
177.05446	0.3
179.03381	0.4
183.02847	1.8
183.04407	1.3
183.07993	0.1
184.05133	0.2
187.03833	1.0
188.07004	0.2
191.03400	0.5
191.07014	0.2
191.10486	0.1
195.02832	0.5
201.05441	5.3
203.03349	0.2
205.04980	0.5
207.02896	0.1
211.03870	0.5
213.05400	0.2
215.03415	0.3
217.04967	0.2
219.02873	0.4
219.06459	0.7
228.04163	0.9
229.04930	10.8
230.05284	0.3
231.02713	0.1
232.03659	0.3
233.04547	0.2
239.03375	0.4
246.05183	0.2
247.05963	1.5
257.04416	5.4
258.04929	0.2
267.17685	0.2
274.04709	1.5
275.05365	0.4
285.00626	0.1
285.03891	2.8
285.08691	0.1
285.18402	0.2
286.04385	0.2
303.04938	100.0
304.05276	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03927	0.2
57.03421	0.2
57.07065	0.9
65.03922	0.4
67.01861	0.3
67.05497	2.2
68.99784	3.2
69.03416	0.4
69.07050	0.9
69.22076	1.2
71.04949	0.2
79.05484	0.3
81.03407	1.0
81.07040	0.4
83.04984	0.2
84.04481	0.5
85.02885	0.2
85.06536	9.7
86.09695	4.7
87.10024	0.6
91.05466	0.9
93.03381	0.8
95.04958	1.4
95.08595	0.5
103.05460	0.3
105.07026	0.4
107.04951	0.2
109.02881	1.5
110.07144	0.3
111.00789	1.9
113.09642	0.4
115.05450	0.6
117.06998	0.7
119.04930	0.5
121.02856	2.6
121.10087	0.2
123.04408	1.8
123.08015	0.3
127.03898	0.9
130.04974	0.2
131.04874	0.5
132.10156	0.4
133.02805	0.3
135.04419	0.5
137.02339	9.3
137.03401	0.6
137.05956	0.6
138.02686	0.3
139.03893	0.4
139.05417	0.2
141.09100	1.1
143.04903	0.4
143.08557	0.2
143.11798	0.5
145.02817	0.5
145.06467	0.9
145.10030	0.3
147.04372	1.0
149.02353	1.1
151.03894	1.7
153.01808	10.8
154.12244	0.5
155.04904	2.0
155.08530	0.2
157.06497	0.3
159.04398	0.5
161.02335	0.4
161.05933	0.8
163.03851	1.8
165.01831	3.8
166.02513	0.4
171.04172	0.2
171.11273	0.5
173.02332	0.5
173.06009	2.5
173.09578	0.2
175.03906	0.3
177.05492	0.3
179.03368	0.6
181.04967	0.3
183.02850	1.3
183.04420	1.3
184.04918	0.3
187.03850	1.2
187.89243	0.2
189.12456	0.3
191.03394	0.5
193.04927	0.4
195.02904	0.4
201.01797	0.7
201.05450	5.4
204.56668	0.3
205.04997	0.3
207.02959	0.2
211.03935	1.0
213.05453	0.8
215.03293	0.5
219.02922	0.5
219.06541	0.6
228.04146	0.6
229.01309	0.5
229.04935	10.1
230.05310	0.4
231.02713	0.2
239.03389	4.2
246.05161	0.2
247.02376	0.7
247.05966	1.2
257.00842	0.9
257.04413	6.6
257.07141	0.4
258.04843	0.4
267.02881	1.5
268.03653	0.3
274.04697	1.3
275.01816	1.0
275.05261	0.4
285.00458	1.1
285.03897	13.7
285.18497	0.5
286.04266	0.7
303.01511	6.1
303.04941	100.0
303.19574	0.9
304.01956	0.2
304.05267	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64985	0.2
53.03944	0.1
55.01856	0.6
65.03932	0.9
67.01851	0.3
67.05490	0.9
67.73663	0.1
68.99426	0.2
68.99780	2.7
69.03413	0.4
69.56803	0.2
71.01512	0.2
79.05475	0.3
81.03414	1.2
81.07034	0.3
85.06535	2.9
91.05458	0.3
93.03389	0.9
93.07007	0.3
95.04955	1.3
95.08571	0.3
99.56133	0.2
105.03365	0.2
105.06999	0.3
107.04932	0.4
109.02859	1.2
109.06496	0.2
111.00785	2.0
115.05424	0.2
117.06981	0.3
119.04891	0.2
119.08570	0.2
121.02850	3.1
122.05966	0.2
123.04375	0.8
123.60070	0.2
127.03889	0.7
128.06216	0.3
129.06915	0.2
131.04939	0.3
135.04369	0.7
135.08095	0.2
137.02332	8.6
137.03404	0.6
137.05960	0.5
139.05438	0.2
141.09050	0.4
145.02832	0.3
145.06509	0.8
147.04388	0.4
149.02298	0.8
149.05927	0.2
153.01804	11.5
154.02179	0.2
155.04880	1.2
156.88058	0.2
157.06517	0.2
159.04433	0.4
159.06461	0.2
161.05988	0.9
163.03896	1.7
165.01822	4.6
165.06918	0.2
166.02487	0.4
173.02330	0.3
173.05988	1.5
175.03926	0.2
177.01758	0.2
177.05399	0.4
179.03351	0.5
183.02838	1.6
183.04388	1.1
184.05122	0.2
187.03822	1.0
191.03429	0.4
191.06992	0.2
195.02835	0.4
201.01749	0.6
201.05434	5.1
201.07291	0.3
205.04944	0.6
207.02939	0.3
211.03899	0.4
213.05528	0.3
215.03482	0.2
217.04729	0.2
219.02812	0.5
219.06491	0.6
226.94894	0.2
228.04193	0.9
229.01294	0.4
229.04926	10.3
230.05246	0.4
231.02777	0.3
232.03607	0.2
239.03413	0.4
245.04463	0.2
247.02332	0.5
247.05960	1.5
257.00708	1.0
257.04407	5.2
258.04807	0.2
274.04755	1.5
275.01776	0.6
275.04999	0.3
285.00275	0.5
285.03894	2.5
285.18408	0.2
303.01517	6.0
303.04919	100.0
304.02008	0.2
304.05264	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	303.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	21.7
57.03423	7.4
61.02925	17.5
65.30871	4.8
69.03426	19.2
70.06575	6.6
71.04996	40.6
73.02909	16.9
81.03411	8.8
84.04481	7.0
85.02887	32.0
97.02874	13.9
98.06059	31.4
98.97586	42.0
99.04467	40.9
101.00841	13.5
110.97585	12.6
111.05616	7.3
116.07074	19.6
116.98593	13.1
119.01866	17.1
123.04443	10.4
123.05548	5.2
125.44035	6.0
127.03934	8.2
128.02327	13.6
128.98590	9.6
130.04941	5.1
131.01836	9.5
140.07051	5.5
141.06604	16.6
146.99649	8.3
151.03915	14.0
152.02312	6.1
155.02905	5.6
158.99629	11.2
161.02904	10.9
170.08124	15.7
170.99802	5.9
174.01773	7.3
174.99112	8.0
176.07043	8.1
177.00749	12.6
182.03334	7.3
183.02347	11.0
188.09230	11.5
189.00772	8.1
189.02359	8.6
191.03877	22.6
193.00209	15.4
200.04434	37.8
201.01880	6.3
213.03409	19.8
222.03879	13.1
235.10713	12.4
237.02943	10.9
257.00806	23.2
275.01868	15.3
285.00330	10.9
303.01361	100.0
303.04745	11.1
303.08212	22.2
303.10483	33.9
303.15518	67.4
304.07880	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	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	12.2
61.10961	7.8
62.38429	6.8
70.92081	7.3
70.92415	8.2
96.41325	7.5
98.97578	46.9
110.84239	6.6
116.98586	15.2
132.65930	8.3
141.05238	12.5
158.99739	20.9
172.94360	14.4
177.00716	21.1
234.99794	9.0
257.00778	14.1
275.01776	12.2
300.62561	9.7
303.01328	81.5
303.10745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.107
Annotation	Isotachioside
Peak:m/z	Relative Intensity
53.03954	1.7
56.96563	6.1
61.02938	2.9
64.55752	1.7
69.03420	4.7
70.06586	6.4
71.04988	2.7
72.08185	1.9
81.03423	6.9
84.04535	2.5
84.08139	4.0
85.02899	13.3
86.09264	1.7
86.09695	12.0
90.14978	1.7
97.02908	6.2
98.23041	2.0
98.97610	5.9
99.04462	2.6
109.02863	25.7
110.07152	10.9
116.98643	5.2
119.04958	4.1
124.07605	3.3
127.03928	3.5
133.02904	2.0
134.99678	3.5
139.03877	2.0
141.05441	13.0
141.10266	2.1
145.05052	2.8
147.04445	5.7
151.03941	5.3
153.05498	2.8
161.03018	2.6
163.04013	2.3
165.05550	3.4
173.02275	4.0
177.05478	6.6
181.04991	2.3
182.08015	2.5
183.11292	2.2
189.05513	2.8
200.13924	10.0
201.01897	6.8
203.05363	4.6
207.06488	4.4
216.98752	3.0
229.01450	4.4
234.99802	5.5
247.02437	5.4
256.97318	2.6
257.00845	8.3
261.03030	2.9
262.03189	2.8
275.01801	11.1
285.00256	3.9
303.01315	43.0
303.10550	100.0
304.01685	2.5
304.10870	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01867	2.1
55.05506	1.4
65.03912	0.7
67.05501	5.5
68.99783	1.9
69.03424	1.8
69.07059	1.2
69.26630	2.8
70.02945	2.5
70.06582	1.7
71.04969	0.6
72.08173	0.6
77.03926	0.6
79.05494	4.1
81.03423	1.5
81.07070	3.1
82.06572	0.5
83.03732	0.7
85.02882	0.7
85.06541	4.9
85.14718	0.6
91.05462	4.5
93.03392	0.6
93.07018	3.2
93.09296	0.5
94.06557	2.7
95.04951	5.1
95.08611	3.6
96.04453	0.7
97.02882	0.6
97.06512	1.0
98.22652	1.0
103.05428	0.8
105.03361	0.6
105.06997	3.0
107.04940	2.0
107.08601	1.5
109.02884	1.6
109.06497	2.7
110.06024	2.2
111.00795	1.4
112.07592	1.3
113.05994	0.6
115.05433	0.9
117.07025	2.5
119.04948	0.7
119.08553	3.9
120.04523	0.6
121.02837	1.6
121.06468	2.4
121.10129	0.9
122.06021	8.4
123.04405	2.0
123.08070	2.9
124.07579	4.5
125.09663	0.9
128.06215	1.0
129.06978	1.4
130.07829	0.6
131.04883	0.7
131.08551	1.2
133.06444	0.8
133.10106	4.7
134.05981	0.7
135.04399	1.9
135.08012	1.1
136.07559	16.8
137.02336	6.0
137.05974	3.3
138.05487	7.5
138.09117	10.4
139.03809	0.8
140.07045	1.4
141.05566	0.7
141.06982	0.9
141.09093	1.6
141.98642	0.5
142.07837	0.7
143.08533	2.6
144.09377	0.7
144.13802	1.2
145.02838	1.4
145.06485	1.9
145.10098	6.0
146.06001	0.6
147.04390	2.2
147.08012	3.3
147.11716	1.0
149.09612	0.5
150.05481	2.1
151.03867	1.9
152.07098	2.3
153.01813	6.2
153.07008	0.7
153.09003	0.8
155.04913	0.7
155.08549	1.3
157.02811	0.5
157.10081	2.1
158.07249	0.7
159.06593	0.8
159.08037	2.1
159.11647	3.8
160.07568	1.2
160.11194	2.0
161.05948	2.2
161.09515	2.5
162.05464	4.7
162.09076	0.7
163.03882	8.2
163.07495	0.7
163.11191	0.6
163.28119	0.5
164.03400	1.9
164.07077	2.4
165.01799	2.3
165.05486	1.1
166.04979	2.1
167.07083	0.9
167.08470	0.7
169.10107	2.4
170.09544	0.5
171.08066	0.8
171.10225	1.2
171.11694	1.9
173.02335	2.2
173.05977	1.7
173.09612	4.6
173.13335	0.5
174.09149	1.5
175.11188	1.9
178.04997	1.9
179.08546	0.7
180.06541	1.7
182.08128	0.9
183.02820	1.1
183.04323	0.9
183.08083	1.1
184.11209	0.8
185.09540	1.2
186.09097	0.7
187.03871	0.7
187.07503	1.2
187.11133	4.2
188.10645	3.3
189.09065	5.4
189.12691	0.7
190.12334	0.5
191.03391	1.2
192.10185	0.7
195.08037	0.7
197.09659	1.8
198.09117	0.9
201.01770	5.9
201.05460	2.6
201.09134	1.2
202.12257	1.2
203.03398	0.8
204.10287	0.5
209.13286	0.8
211.07590	0.6
212.10709	1.9
213.01871	0.7
213.09090	1.8
214.12267	1.0
215.08600	0.9
215.10461	4.5
216.10147	9.2
218.11783	0.8
219.02890	1.3
225.09027	0.5
227.14240	1.1
229.01389	4.4
229.04945	5.5
230.11723	4.2
231.02847	1.7
231.13835	0.6
239.03351	1.2
239.12003	0.7
240.10120	1.7
242.11708	1.3
243.07671	1.6
243.10159	4.6
244.09660	3.5
245.15495	0.6
247.02303	3.0
247.06099	0.9
249.16519	0.6
257.00775	9.0
257.04382	2.7
257.12811	2.3
257.18970	0.9
258.11246	15.5
259.02344	0.9
260.12866	3.6
267.17459	1.4
268.09723	1.1
271.09607	0.9
274.04697	0.6
275.01862	8.0
275.14069	2.8
285.00302	7.0
285.03934	4.5
285.09238	0.6
285.12231	3.6
285.18411	2.1
286.10681	9.4
303.01309	46.2
303.04971	60.3
303.13358	100.0
303.19415	10.3
304.01633	2.5
304.05310	3.1
304.13678	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	303.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67554	0.5
72.25953	0.5
105.13714	0.5
107.04861	0.4
123.04408	3.0
129.05458	0.7
137.05890	0.6
139.03870	0.8
147.04424	1.3
151.03911	3.8
165.05495	0.9
179.03192	0.4
181.04913	0.5
201.01854	1.2
229.01337	1.0
247.02435	0.7
257.00781	1.0
275.01929	1.0
303.01413	5.9
303.14105	100.0
304.14371	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	303.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
59.04989	0.4
69.03416	0.6
70.06570	0.5
70.92956	0.7
71.18882	0.4
71.32862	0.4
85.02872	0.6
85.43647	0.4
91.05466	0.6
93.99560	0.4
95.04965	0.9
98.89761	0.4
105.92740	0.4
109.02869	0.9
113.05956	0.6
119.04918	0.7
123.04419	6.4
132.16316	0.4
135.04457	0.6
137.05965	1.1
137.79414	0.5
139.03883	2.6
147.04358	4.2
151.03880	8.5
161.05959	0.9
163.03900	1.1
165.05431	1.1
173.02296	0.6
181.05022	1.0
181.90884	0.5
191.03423	0.7
193.05034	0.7
201.01822	1.5
206.08414	0.7
229.01268	1.4
239.11664	0.7
247.02278	1.3
257.00757	2.1
259.02469	0.5
267.11273	1.4
275.01886	2.2
276.02426	0.5
285.00302	1.6
285.07312	0.6
285.12445	1.3
303.01349	12.5
303.09048	4.8
303.14087	100.0
304.01880	0.6
304.14420	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	303.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
55.05502	0.4
56.05029	2.8
67.05485	1.2
68.99786	0.9
69.68516	0.9
71.08626	9.8
72.55896	0.4
77.31638	0.4
79.05486	1.0
83.06088	2.3
84.04496	63.0
85.02881	1.0
85.04826	0.4
85.06540	5.5
87.00823	0.6
88.11264	23.3
89.03906	0.9
89.44781	0.4
91.05472	1.8
91.38567	0.4
93.07047	1.1
95.04948	0.6
95.08599	1.0
98.06052	6.9
98.22837	0.6
98.23397	0.7
105.07029	1.2
107.04951	0.7
109.02858	0.7
109.06482	0.4
117.03381	1.7
117.06979	0.5
117.12414	0.4
119.04927	1.2
119.08539	0.5
121.02872	1.0
121.06505	0.6
123.04413	1.4
124.03970	0.9
130.04990	19.9
131.08582	0.5
135.04434	0.5
137.02332	0.5
137.05962	0.6
138.22627	0.4
139.03947	0.4
141.09061	0.5
142.04997	0.6
143.08540	0.7
145.02849	2.3
145.10141	1.3
147.04367	2.6
147.08041	0.6
147.11710	0.8
151.03896	1.9
151.07509	0.4
152.03412	5.3
153.01895	0.6
153.13861	1.9
154.12254	69.7
155.08574	0.8
155.12643	1.8
157.02863	1.3
157.10181	0.7
161.09610	1.1
163.03923	1.9
169.01334	1.4
170.04559	0.6
171.14912	8.3
173.02324	5.7
173.09615	1.9
175.03908	1.4
185.02316	1.5
191.03424	1.8
191.10698	1.3
197.12912	1.6
198.04008	4.3
199.14426	3.3
200.12740	2.6
201.01802	13.7
201.05505	0.5
202.02196	0.8
203.03389	1.8
213.01820	2.1
213.15982	0.9
217.15384	2.2
219.02908	2.1
229.01320	9.5
229.04987	0.9
230.01729	0.8
231.02846	3.3
234.90764	0.4
239.03467	0.6
239.13957	1.9
239.17908	0.8
241.01338	1.1
243.13429	1.2
247.02344	9.1
248.02585	0.6
257.00797	21.3
257.12363	0.6
257.14941	15.0
258.01251	1.2
258.15308	0.6
259.02322	2.8
267.13440	1.1
267.17419	1.3
275.01834	18.0
276.02127	1.0
285.00305	15.0
285.03870	1.6
285.07620	0.5
285.14557	4.9
285.18286	3.8
286.00873	1.4
303.01385	100.0
303.04929	16.0
303.15552	6.1
303.19525	8.5
304.01746	6.3
304.05264	1.0
304.19772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1589
Annotation	Enterodiol
Peak:m/z	Relative Intensity
51.02381	0.6
53.03934	2.7
55.01862	4.3
55.05496	1.5
57.03425	1.3
57.17047	0.7
65.03931	2.4
67.05157	1.3
67.05496	18.0
68.99770	1.8
69.03413	1.1
69.07069	4.3
70.06594	1.2
71.04981	1.4
71.08617	1.2
71.42865	0.8
73.38873	0.6
77.03913	2.5
78.04685	0.7
79.05481	100.0
80.05814	2.1
81.03406	3.6
81.07043	6.0
83.04989	1.4
85.02892	2.1
85.06534	9.0
88.11276	1.6
89.61671	0.8
91.05468	26.9
93.03453	0.8
93.07008	3.8
95.04956	14.4
95.08592	4.1
97.02904	0.8
97.06517	17.0
99.08084	1.5
103.05474	3.0
105.03400	1.9
105.04484	4.9
105.07001	6.6
106.04178	1.0
107.04937	8.5
107.08575	1.3
109.02877	3.3
109.06508	4.4
109.93951	0.7
111.00824	1.4
114.46861	0.7
115.05449	3.0
117.07021	2.7
119.04951	2.6
119.08560	1.5
120.05671	0.6
121.02874	1.6
121.06491	9.6
121.10206	0.8
123.04472	1.6
123.08057	1.6
127.03902	1.2
128.06198	6.4
129.06985	9.2
130.04980	2.7
131.04921	3.9
131.08569	3.3
132.05711	1.0
133.06474	1.8
133.10190	1.2
135.04387	1.7
135.08040	3.7
137.02321	7.8
137.05984	3.0
141.06993	4.2
141.09125	2.1
142.07819	1.1
143.08546	4.8
144.05658	1.4
145.02786	1.2
145.06445	5.7
145.10120	1.7
146.07304	4.0
147.04395	2.6
147.08098	1.7
147.11655	1.4
148.05183	2.3
149.02255	0.9
149.05968	7.2
149.09596	9.0
151.03914	1.0
151.07559	5.0
152.06192	1.5
153.01802	8.7
153.06943	4.2
154.07790	1.4
155.04926	1.1
155.06055	2.1
155.08533	2.6
157.06549	2.4
157.10023	0.9
158.07265	1.1
159.04402	1.3
159.08043	5.7
161.05960	33.1
161.09593	52.2
162.06339	1.7
162.09972	1.4
163.03900	1.8
163.07536	2.8
165.01840	3.2
165.06938	4.7
166.02536	0.7
166.07780	2.5
167.07091	0.9
167.08566	2.6
168.09410	0.9
169.06474	2.8
169.10153	1.7
171.08032	5.3
172.13319	2.0
173.02312	1.7
173.06009	2.4
173.09636	3.2
174.06689	4.2
175.07512	11.0
177.05441	2.1
177.09123	3.6
178.07761	7.5
179.08531	16.4
180.09084	1.0
181.06422	9.4
181.10085	1.8
182.07231	2.0
183.02882	1.1
183.04324	1.2
183.08066	2.5
183.11725	1.3
185.09636	2.7
186.06799	0.9
187.07556	2.8
187.11220	1.0
188.08344	2.0
189.09073	33.3
190.09436	0.8
192.07808	0.8
192.09340	1.2
193.10175	0.7
194.07246	1.7
195.08081	2.4
196.08789	4.0
197.09648	3.2
198.06812	1.0
199.07480	5.5
199.11200	1.0
200.08060	0.9
200.12782	6.2
201.01834	5.4
201.05521	3.2
201.09071	11.5
203.03355	0.9
206.07271	2.8
207.08063	4.5
207.10175	4.3
207.11752	1.7
208.08755	1.1
209.06032	1.3
209.09650	3.0
209.11592	1.0
210.10381	2.7
211.07466	5.7
211.11116	5.1
213.01781	0.8
213.09171	1.3
217.08609	1.9
219.08121	0.7
219.10109	15.1
219.12038	1.1
221.09671	3.0
223.07501	1.2
224.08342	3.3
224.11998	2.4
225.09023	1.6
226.09833	6.2
227.10606	1.1
229.01315	4.8
229.04877	9.2
229.08499	1.2
229.12196	0.8
231.02756	1.6
235.11035	1.2
237.09164	1.7
238.09862	0.9
239.10612	23.7
239.14238	5.4
239.17862	0.8
241.12141	4.0
245.11772	0.9
247.02396	3.5
247.06152	1.1
252.11528	2.0
257.00800	8.4
257.04364	5.4
257.11673	71.8
258.12003	2.9
259.02612	1.0
267.13776	27.8
268.14172	1.4
271.13181	1.0
274.04742	1.3
275.01804	7.8
276.02231	0.9
285.00366	8.2
285.03860	1.8
285.08566	2.5
285.14819	76.0
285.18002	3.2
286.15201	4.5
303.01389	49.3
303.05042	86.8
303.12802	2.1
303.15967	43.5
303.19531	9.1
304.01633	2.8
304.05353	6.6
304.16232	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	3-Methoxyestriol
Peak:m/z	Relative Intensity
55.01849	0.7
55.05499	0.8
59.65815	0.5
67.05495	2.1
69.01731	0.7
69.37405	3.5
74.80502	0.6
79.05485	4.1
81.07046	3.4
85.75713	0.5
87.88560	0.6
91.05476	6.2
93.07040	6.4
95.04956	1.7
95.08037	0.7
95.08604	8.8
97.06512	1.6
105.07018	10.0
107.04965	1.8
107.08598	5.3
109.06514	1.2
109.10135	1.3
110.32986	0.6
111.08100	1.1
117.07015	5.0
119.04920	0.7
119.08542	3.9
121.06483	3.6
121.10140	2.3
123.08047	2.3
128.06215	1.5
129.06996	2.6
130.07761	1.4
131.08554	8.9
133.06493	0.9
133.10133	2.9
135.04425	0.7
135.08043	5.5
137.05991	0.6
143.08519	5.0
145.06534	3.4
145.10118	19.2
147.08047	10.3
147.11649	2.1
149.05991	0.8
149.09622	4.2
155.08528	7.0
157.10092	1.0
158.07263	8.0
159.07928	0.7
159.11664	1.0
161.09645	7.5
163.11166	2.2
165.06972	1.0
169.10149	1.4
171.07971	1.4
171.11699	0.8
173.09613	46.2
174.09938	1.8
183.11720	1.4
191.10654	33.6
192.10956	0.9
195.11624	0.9
196.12447	0.9
197.13258	2.2
209.11696	15.9
209.13171	0.8
211.14828	2.0
223.14769	0.8
225.16327	0.9
227.14285	2.6
239.17970	1.9
249.16489	1.1
262.71777	0.8
267.17459	3.8
271.09680	0.8
285.18451	35.3
286.18863	1.9
303.01611	1.2
303.19516	100.0
304.19849	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	303.1954
Annotation	3-Methoxyestriol
Peak:m/z	Relative Intensity
53.03944	0.8
55.01859	2.7
55.05499	2.3
56.96562	2.0
57.03424	1.5
61.50776	0.7
61.61226	0.6
65.03926	1.7
66.66419	0.7
67.02960	0.7
67.05500	5.9
68.99769	3.8
69.03419	1.8
69.07054	2.6
71.04980	0.9
79.05482	9.1
79.15759	0.7
81.03396	3.3
81.07044	6.0
83.04990	0.9
84.04494	2.5
84.95976	0.9
85.02896	6.1
85.06535	6.8
86.03223	2.4
87.00797	1.1
91.05469	24.3
93.07032	11.1
95.04957	3.8
95.08591	6.0
97.02872	1.3
97.06507	2.6
99.08071	1.3
103.05431	2.0
105.03386	2.1
105.04487	1.3
105.07021	13.1
107.04938	3.2
107.08571	6.4
109.02875	4.8
109.06499	3.3
109.10123	2.2
111.00793	1.9
111.04419	0.8
111.08025	0.9
115.05421	2.7
117.07027	5.2
119.04930	2.0
119.08581	4.3
121.02843	2.6
121.06482	5.5
121.10106	2.5
123.04417	1.9
127.03914	3.0
128.06190	8.7
129.06993	14.8
130.05011	1.1
130.07738	0.9
131.04907	2.3
131.08549	6.9
133.06424	1.4
133.10117	6.6
134.88823	0.8
135.04398	0.9
135.08038	2.4
135.11668	1.2
137.02348	8.5
137.03346	1.9
137.05943	4.5
139.07529	2.7
141.06927	4.3
141.09056	1.7
142.07790	1.3
143.08540	13.9
145.04930	2.0
145.06462	5.0
145.10106	11.3
146.05246	1.4
147.08032	5.5
147.11667	5.8
149.05968	1.0
149.09592	1.9
151.07500	1.5
152.06160	1.4
153.01802	14.8
153.06975	4.8
155.04874	1.5
155.06015	1.7
155.08517	7.3
156.13838	3.1
157.06439	1.3
157.10051	4.4
158.07231	2.2
158.57784	0.8
159.08014	2.8
159.11682	3.0
161.05939	2.4
161.09570	6.1
161.13260	1.1
163.03822	1.0
163.11079	0.8
165.01836	4.9
165.07043	1.7
166.02623	1.3
167.08534	1.8
168.09309	1.3
169.06473	1.6
169.10078	4.9
171.08041	10.3
171.11650	2.1
173.06013	1.2
173.09601	17.5
174.14917	4.5
175.11163	3.3
179.08521	2.1
180.09140	0.8
181.06500	7.3
181.10088	2.6
182.10829	1.7
183.02823	1.7
183.04349	0.9
183.07994	1.3
183.11658	4.6
185.09584	1.5
185.13199	3.1
187.11174	1.6
189.09081	5.3
191.03636	1.8
191.10657	7.3
192.09297	1.9
193.10063	1.7
195.11623	2.7
196.12401	1.0
197.05969	1.0
197.09605	1.1
197.13242	4.7
198.13965	1.2
199.07535	8.5
199.11072	1.3
199.14751	4.9
201.05484	5.1
207.11650	3.6
209.11604	3.4
209.13283	3.2
210.14023	1.2
211.11148	3.3
211.14801	5.1
212.11899	0.9
212.15556	0.8
215.03265	0.8
217.08545	2.2
219.03072	1.4
219.11661	1.1
221.13208	1.6
222.14743	0.9
223.14792	3.0
224.15565	1.3
225.12730	2.1
225.16299	1.8
227.14233	2.8
229.04915	9.1
234.13817	1.6
237.12709	2.0
237.16368	1.4
239.02155	1.5
239.14297	1.3
239.17912	6.4
241.15802	1.1
247.05850	1.2
249.16359	6.9
252.15024	2.1
255.13773	0.8
257.00827	1.3
257.04398	6.2
257.11676	1.6
257.18814	1.1
267.17386	18.7
270.16055	1.8
274.04639	2.0
275.01828	2.5
285.00485	1.6
285.03857	3.2
285.15210	2.2
285.18436	39.2
286.16156	1.0
286.18887	2.4
288.17191	1.6
303.01373	9.3
303.04919	100.0
303.19485	93.8
304.05283	5.4
304.19812	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	303.1953
Annotation	3-Methoxyestriol
Peak:m/z	Relative Intensity
55.01862	0.8
55.05504	1.5
63.55927	0.4
67.05497	2.9
69.03434	0.6
69.07053	0.8
71.04988	0.8
79.05491	4.1
81.03436	0.5
81.07053	6.1
83.04978	1.0
85.06522	0.8
85.63659	0.4
89.77906	0.4
91.05466	6.9
93.07035	8.8
95.04961	1.7
95.08598	8.7
97.06526	1.4
98.22710	1.4
103.05504	0.5
105.07021	11.7
107.04958	1.2
107.08580	6.0
109.06517	2.6
109.10156	1.6
111.08088	0.8
115.05468	0.7
117.07018	4.0
119.04984	0.5
119.08575	6.0
121.06506	4.0
121.09385	0.5
121.10132	2.2
123.08092	1.5
125.39904	0.4
128.06219	1.6
129.07024	2.6
130.07791	1.4
131.08545	8.0
133.06503	1.3
133.10101	5.2
135.08018	4.1
135.11703	1.4
137.02313	0.7
137.05919	2.1
137.59644	0.5
139.07541	0.9
141.06985	1.6
142.07819	1.2
143.08545	5.4
145.06447	2.4
145.10109	15.4
146.10558	0.6
147.08025	7.3
147.11685	5.6
149.09619	2.9
153.01871	1.2
153.06966	0.9
155.08537	7.5
157.06488	0.6
157.10097	3.2
158.07249	5.2
159.08049	1.9
159.11696	2.5
161.09601	6.0
161.13289	1.9
163.07498	0.6
163.11147	2.0
165.01823	0.5
165.07027	1.2
167.08582	1.2
168.09363	1.0
169.10124	2.8
171.08038	1.7
171.11716	1.4
173.09602	30.6
173.13229	1.2
174.10037	1.3
175.11223	2.7
178.07715	0.6
179.08527	1.7
181.08707	0.4
181.10077	2.5
183.11693	2.8
185.09657	1.4
185.13258	2.1
187.11180	1.4
187.14693	0.4
189.09109	3.0
191.10648	18.8
192.09361	0.8
192.10992	0.9
193.10071	1.7
194.10904	0.6
195.11670	1.5
196.12387	0.6
197.09586	1.2
197.13257	3.9
198.13931	0.6
199.11188	0.8
199.14798	3.4
201.12689	0.5
206.10980	0.6
207.11604	2.7
208.70674	0.4
209.11732	9.0
209.13303	1.8
210.13907	0.8
211.11130	2.7
211.14767	2.7
212.11949	0.8
212.15758	0.5
213.12782	0.5
217.15820	0.6
219.11610	0.8
221.13300	1.2
223.14882	0.8
224.15659	0.7
225.12738	1.3
225.16371	1.2
227.14342	3.2
229.05000	0.9
234.13898	0.6
237.12700	0.7
237.16382	0.8
239.14384	0.9
239.17928	4.3
241.15738	1.0
249.16258	3.3
252.15010	1.0
257.19043	1.0
267.17413	13.5
268.17715	0.9
270.16000	1.2
285.18463	40.4
286.18805	1.9
288.17160	1.2
303.01605	0.5
303.04953	9.5
303.19489	100.0
304.19818	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	303.1954
Annotation	3-Methoxyestriol
Peak:m/z	Relative Intensity
53.09471	0.3
55.01858	0.6
55.05503	0.9
57.07076	0.4
64.26665	0.4
67.05488	2.0
69.03416	0.6
69.07053	1.3
70.08524	0.4
70.08856	0.8
71.04986	0.7
77.51283	0.3
79.05481	2.4
81.03407	0.5
81.07052	4.2
83.04980	0.5
85.00293	0.3
85.06539	4.2
91.05476	3.9
93.07040	5.2
93.97131	0.3
95.04958	0.9
95.08611	3.2
96.27122	0.3
97.02882	0.4
97.06519	0.6
101.43601	0.3
105.07021	6.2
107.04911	0.6
107.08591	3.4
109.06519	1.6
109.10136	1.3
111.08067	1.4
115.05461	0.4
117.07030	1.6
119.04965	1.0
119.08562	2.3
121.05727	0.4
121.06484	2.1
121.10145	1.2
123.08036	1.1
128.06223	0.8
129.06999	1.3
131.08568	2.8
133.06532	0.5
133.10117	2.5
135.08037	0.8
135.11664	0.8
137.05966	1.3
137.09622	0.5
139.07520	1.7
141.06911	1.6
141.09099	0.7
142.07692	0.5
143.08553	3.4
145.06482	0.6
145.10110	5.4
147.08035	1.1
147.11687	2.8
147.67740	0.4
149.09563	0.6
149.13237	0.6
153.07108	0.5
155.08539	3.5
157.06473	1.0
157.10107	2.6
158.07234	0.4
159.08083	2.0
159.11681	2.0
161.09605	1.3
161.13260	0.5
163.11090	0.4
165.07053	0.4
167.08510	0.9
168.09306	0.9
169.10129	2.3
171.08095	1.7
171.11649	1.6
173.09602	4.3
173.13254	0.4
175.11188	2.4
179.08488	0.8
181.10045	1.6
182.10948	0.5
183.08006	1.2
183.11659	3.1
184.12381	0.5
185.09628	2.4
185.13231	2.3
187.11108	1.1
187.14789	0.8
189.08995	0.8
191.10645	0.9
192.09335	0.6
193.10129	2.0
193.12064	0.6
194.10919	0.4
195.11711	1.6
196.08772	0.6
196.12497	0.5
197.09523	1.6
197.13246	2.7
198.10379	0.4
199.11121	2.0
199.14859	1.8
201.12811	0.4
201.16377	0.4
207.11639	2.2
209.13222	2.3
210.10393	0.5
210.13992	0.5
211.11165	5.1
211.14734	2.1
212.11963	2.3
213.12741	0.9
213.16403	0.9
219.11739	0.5
221.13223	0.9
223.11172	0.5
223.14812	1.2
225.12738	3.4
225.16396	1.1
226.13396	0.5
227.14278	3.1
229.16077	0.6
234.14032	0.5
237.12666	1.3
237.16319	0.8
239.14296	0.8
239.17941	6.4
241.15829	1.8
249.16347	2.7
252.15034	1.7
257.19043	0.7
267.17419	10.6
268.17743	0.5
270.16089	1.0
285.18472	36.9
286.18741	2.4
303.01605	0.7
303.04971	2.2
303.19513	100.0
304.19815	4.6
316.33554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1954
Annotation	3-Methoxyestriol
Peak:m/z	Relative Intensity
55.01848	0.8
55.05497	1.5
67.05499	3.8
68.99784	0.7
69.03417	1.3
69.07052	1.4
70.06572	0.6
70.96770	1.2
79.05486	4.1
81.03412	1.7
81.07060	5.4
83.04955	0.7
83.08578	0.7
85.06539	1.9
88.98973	0.6
91.05467	7.4
93.07036	9.2
95.04947	2.6
95.08595	6.9
97.02854	0.7
97.06518	1.0
99.04429	0.8
103.05476	0.8
104.53859	0.7
105.07034	9.9
107.04950	1.5
107.08598	5.1
109.06499	2.5
109.10137	1.7
111.00816	0.7
111.04425	0.6
111.08064	1.2
115.05412	0.6
117.07005	2.0
117.39729	0.6
119.04934	0.9
119.08579	3.9
121.02845	1.3
121.06493	5.3
121.10116	2.4
123.04419	0.7
123.08046	1.8
123.11718	0.8
128.06219	1.2
129.06979	2.9
130.07797	1.4
131.04898	0.9
131.08560	5.9
133.06512	1.2
133.10103	4.7
135.08028	2.2
135.11694	1.7
137.02333	2.7
137.05948	2.7
139.07507	3.7
141.06966	1.5
141.09087	1.0
142.07735	1.4
143.08559	6.1
145.06528	0.9
145.10130	9.4
147.08018	2.8
147.11678	7.6
149.05994	0.8
149.09685	0.8
153.01834	2.3
153.05450	1.0
153.06973	0.9
155.08522	6.8
157.10124	3.5
158.07289	1.0
159.08037	2.2
159.11687	3.1
161.09645	2.9
161.13225	1.1
165.01852	1.0
165.07014	1.9
165.09023	0.6
165.27623	0.6
167.08560	1.5
169.10165	2.8
171.08028	2.4
171.11649	2.8
172.67677	0.7
173.09613	11.4
173.13235	1.4
175.11147	4.1
178.07671	0.7
179.08540	0.9
180.09363	1.2
181.10101	2.9
182.10945	0.9
183.02895	0.7
183.08044	2.2
183.11691	4.6
185.09610	2.3
185.13258	2.8
187.11208	1.4
189.09106	2.0
191.10648	4.5
192.09271	1.1
193.10081	2.2
193.12263	1.1
194.11006	0.8
195.11699	2.1
196.12437	1.0
197.09636	1.7
197.13281	4.7
199.11189	2.1
199.14813	2.1
201.05415	1.7
201.12660	1.4
207.11626	3.1
208.12560	0.7
209.11510	1.1
209.13310	3.7
210.14015	1.0
211.07556	1.4
211.11189	5.2
211.14792	3.1
212.11949	2.5
213.12703	0.9
213.16367	1.7
219.11702	1.3
220.12421	0.8
221.13202	1.2
223.11234	0.6
223.14880	1.5
224.15335	0.8
225.12759	3.7
225.16394	1.5
226.13495	0.7
227.14323	4.8
227.16245	0.7
229.04881	3.1
229.15791	0.8
234.13936	1.4
237.12820	1.2
237.16325	1.4
239.14281	1.4
239.17920	7.2
241.15817	1.8
243.10191	0.8
249.16406	5.1
252.15114	2.5
257.04343	1.2
257.18948	1.2
267.17426	24.3
268.17838	1.0
270.16000	1.7
271.09695	1.8
274.04736	0.7
285.18463	62.4
286.18875	2.3
303.01349	5.1
303.04907	31.9
303.19516	100.0
304.01794	0.6
304.05435	1.6
304.19839	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	303.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01859	2.7
55.05499	2.3
56.96562	2.0
57.03424	1.5
61.50776	0.7
61.61226	0.6
65.03926	1.7
66.66419	0.7
67.02960	0.7
67.05500	5.9
68.99769	3.8
69.03419	1.8
69.07054	2.6
71.04980	0.9
79.05482	9.1
79.15759	0.7
81.03396	3.3
81.07044	6.0
83.04990	0.9
84.04494	2.5
84.95976	0.9
85.02896	6.1
85.06535	6.8
86.03223	2.4
87.00797	1.1
91.05469	24.3
93.07032	11.1
95.04957	3.8
95.08591	6.0
97.02872	1.3
97.06507	2.6
99.08071	1.3
103.05431	2.0
105.03386	2.1
105.04487	1.3
105.07021	13.1
107.04938	3.2
107.08571	6.4
109.02875	4.8
109.06499	3.3
109.10123	2.2
111.00793	1.9
111.04419	0.8
111.08025	0.9
115.05421	2.7
117.07027	5.2
119.04930	2.0
119.08581	4.3
121.02843	2.6
121.06482	5.5
121.10106	2.5
123.04417	1.9
127.03914	3.0
128.06190	8.7
129.06993	14.8
130.05011	1.1
130.07738	0.9
131.04907	2.3
131.08549	6.9
133.06424	1.4
133.10117	6.6
134.88823	0.8
135.04398	0.9
135.08038	2.4
135.11668	1.2
137.02348	8.5
137.03346	1.9
137.05943	4.5
139.07529	2.7
141.06927	4.3
141.09056	1.7
142.07790	1.3
143.08540	13.9
145.04930	2.0
145.06462	5.0
145.10106	11.3
146.05246	1.4
147.08032	5.5
147.11667	5.8
149.05968	1.0
149.09592	1.9
151.07500	1.5
152.06160	1.4
153.01802	14.8
153.06975	4.8
155.04874	1.5
155.06015	1.7
155.08517	7.3
156.13838	3.1
157.06439	1.3
157.10051	4.4
158.07231	2.2
158.57784	0.8
159.08014	2.8
159.11682	3.0
161.05939	2.4
161.09570	6.1
161.13260	1.1
163.03822	1.0
163.11079	0.8
165.01836	4.9
165.07043	1.7
166.02623	1.3
167.08534	1.8
168.09309	1.3
169.06473	1.6
169.10078	4.9
171.08041	10.3
171.11650	2.1
173.06013	1.2
173.09601	17.5
174.14917	4.5
175.11163	3.3
179.08521	2.1
180.09140	0.8
181.06500	7.3
181.10088	2.6
182.10829	1.7
183.02823	1.7
183.04349	0.9
183.07994	1.3
183.11658	4.6
185.09584	1.5
185.13199	3.1
187.11174	1.6
189.09081	5.3
191.03636	1.8
191.10657	7.3
192.09297	1.9
193.10063	1.7
195.11623	2.7
196.12401	1.0
197.05969	1.0
197.09605	1.1
197.13242	4.7
198.13965	1.2
199.07535	8.5
199.11072	1.3
199.14751	4.9
201.05484	5.1
207.11650	3.6
209.11604	3.4
209.13283	3.2
210.14023	1.2
211.11148	3.3
211.14801	5.1
212.11899	0.9
212.15556	0.8
215.03265	0.8
217.08545	2.2
219.03072	1.4
219.11661	1.1
221.13208	1.6
222.14743	0.9
223.14792	3.0
224.15565	1.3
225.12730	2.1
225.16299	1.8
227.14233	2.8
229.04915	9.1
234.13817	1.6
237.12709	2.0
237.16368	1.4
239.02155	1.5
239.14297	1.3
239.17912	6.4
241.15802	1.1
247.05850	1.2
249.16359	6.9
252.15024	2.1
255.13773	0.8
257.00827	1.3
257.04398	6.2
257.11676	1.6
257.18814	1.1
267.17386	18.7
270.16055	1.8
274.04639	2.0
275.01828	2.5
285.00485	1.6
285.03857	3.2
285.15210	2.2
285.18436	39.2
286.16156	1.0
286.18887	2.4
288.17191	1.6
303.01373	9.3
303.04919	100.0
303.19485	93.8
304.05283	5.4
304.19812	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	303.1953
Annotation	3-Methoxyestriol
Peak:m/z	Relative Intensity
51.31873	0.4
55.01876	0.7
55.05497	2.1
57.03428	0.6
57.07043	0.7
67.05498	3.8
69.03422	1.2
69.07065	2.5
71.04977	1.7
79.05479	4.7
81.03403	0.7
81.07047	6.8
83.04948	1.1
83.08608	0.5
85.02868	0.6
85.06528	3.7
86.94318	0.4
91.05474	5.6
93.07034	9.0
95.04971	2.3
95.08601	6.6
97.06548	2.2
97.10151	0.5
99.04459	0.9
99.08113	0.6
103.05421	0.6
105.07018	8.2
106.07382	0.8
107.08577	6.6
109.02863	0.5
109.06499	2.5
109.10141	2.6
111.08062	2.0
113.05997	0.5
117.07008	1.9
119.04936	0.8
119.08553	4.4
121.06490	2.9
121.10105	3.0
123.08048	2.7
123.11677	0.8
127.11196	0.6
128.06212	1.0
129.06978	1.9
130.07787	0.9
131.04929	0.5
131.08545	4.5
133.06470	0.6
133.10115	5.6
135.08043	1.9
135.11676	2.2
137.05975	2.7
139.03929	0.8
139.07550	1.9
139.11172	0.5
141.06992	1.4
141.09105	1.1
142.07730	0.9
143.08543	5.1
145.06477	1.3
145.10114	8.0
147.08044	2.2
147.11659	4.7
149.06021	0.5
149.09552	0.7
149.13217	0.8
151.07532	0.7
151.11185	0.6
155.08557	3.2
156.88907	0.5
157.06454	0.5
157.10136	4.3
158.07257	0.7
159.08049	1.9
159.11653	3.7
161.09592	2.4
161.13231	1.0
163.11194	0.8
165.05515	0.5
165.06982	0.7
167.08536	1.0
168.09341	0.8
169.10098	2.5
171.07988	2.6
171.11658	2.2
173.09593	6.7
173.13281	1.8
175.07629	0.5
175.11156	3.0
177.12772	0.8
178.07787	0.6
179.08472	0.5
181.06442	0.5
181.10081	2.1
183.08124	1.2
183.11670	4.4
184.12424	0.8
185.09593	2.3
185.13210	2.9
187.11115	1.7
187.14775	1.5
189.09120	1.2
191.10678	1.9
192.09253	0.7
193.10083	2.2
193.12175	1.1
195.11702	1.6
196.08798	0.7
196.12508	0.6
197.09627	2.1
197.13284	2.9
198.13982	0.6
199.11197	2.2
199.14787	3.3
201.01711	0.6
201.12729	1.3
201.16420	0.9
207.06444	0.8
207.11765	2.4
207.13420	0.5
209.13274	1.9
210.10341	0.6
210.13902	0.7
211.07445	0.8
211.11134	5.1
211.14725	3.2
212.11931	1.9
212.15260	0.5
213.12743	0.6
213.16307	1.3
215.14198	0.9
215.17693	0.4
217.15813	1.0
219.11731	0.7
221.13364	0.8
223.11150	0.7
223.14810	1.3
224.15564	1.2
225.12717	3.4
225.16336	1.3
227.14201	3.2
229.15863	1.1
234.14102	0.7
237.12709	1.5
237.16457	0.9
239.10620	0.5
239.14240	1.5
239.17908	6.8
240.18236	0.6
241.15796	2.4
243.13707	0.6
243.17477	0.6
245.08141	1.0
249.16360	3.3
252.15099	1.4
257.19025	1.1
267.17383	14.1
267.20273	0.8
268.17950	0.9
270.15982	1.0
285.18463	39.8
285.21481	1.5
286.18784	2.0
288.17496	0.5
303.01282	4.0
303.04950	2.3
303.19510	100.0
303.22931	6.6
304.19843	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	303.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.4
69.63340	0.4
69.63745	0.3
73.99627	0.2
74.39148	0.2
81.67844	0.2
85.19741	0.1
87.67747	0.1
98.96982	0.3
98.97581	3.2
101.00853	0.6
102.96854	0.4
116.98617	2.5
119.01922	2.1
120.02050	0.2
120.97887	0.3
121.01620	0.2
122.97773	0.3
134.99649	1.7
137.02924	0.4
138.98914	0.2
146.91733	0.3
153.00757	0.3
158.99875	1.5
177.00938	18.7
178.01027	1.7
179.00732	0.8
181.03452	0.2
181.99110	0.2
182.99808	1.6
195.01920	0.4
195.06747	0.2
196.95486	0.4
199.04527	0.6
201.00911	5.4
202.01038	0.4
212.10249	0.2
212.96654	0.2
214.96529	6.5
215.96590	0.2
219.01982	100.0
219.21719	0.2
220.02101	8.3
220.95422	0.3
221.01855	1.0
237.03056	0.3
238.95598	1.0
239.95837	0.2
242.03586	2.5
244.02057	0.5
245.01889	0.3
254.93559	0.2
256.97531	17.9
257.96832	1.8
258.96240	0.3
260.00119	0.2
261.03049	0.8
262.03171	5.2
263.02826	4.1
274.97647	2.6
275.94366	0.3
275.97717	0.7
276.93607	0.2
278.01093	0.3
278.12473	0.2
279.98233	1.0
280.97266	1.3
281.98032	0.2
289.95532	0.2
298.97977	21.2
299.98050	1.7
304.05524	0.6
309.96051	0.3
321.99652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35783	5.6
56.20472	6.7
56.96559	15.8
57.62101	6.4
69.03416	15.5
69.37010	23.0
69.37415	9.2
70.98088	9.2
76.30819	7.4
81.04531	19.2
81.51112	6.3
81.56604	5.6
85.02892	10.5
90.17322	6.8
95.06085	14.3
98.23447	14.7
98.97555	33.2
110.97519	13.1
116.98633	13.5
119.01978	7.8
125.07095	21.4
131.01860	9.9
132.88747	8.7
143.08125	70.6
148.42448	8.0
158.99666	6.3
188.97050	6.7
191.04021	7.4
191.54121	6.5
304.01736	9.0
304.07852	88.6
305.12048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01862	2.0
55.05495	1.2
57.03427	5.4
58.02937	1.2
58.06588	1.7
59.44131	1.0
60.04522	9.9
61.02914	4.2
61.44205	1.0
69.03420	16.8
69.07059	47.8
70.55190	1.2
70.55509	1.3
71.08624	20.5
72.10696	1.0
73.02911	1.5
81.03409	7.4
83.08594	1.5
84.04490	3.9
85.02896	69.2
86.02425	8.0
86.03201	1.1
86.10158	1.0
90.09554	1.2
91.03942	1.5
96.04438	1.4
96.08115	2.6
97.02884	50.4
97.06514	6.9
99.04448	3.0
103.03943	5.5
103.79426	1.1
109.02865	12.4
114.09155	15.1
127.03893	13.7
130.06593	1.0
137.02298	2.1
138.09117	4.7
142.08621	100.0
145.04147	0.9
145.04985	8.6
156.10194	2.8
170.75937	1.1
184.09674	83.5
185.10014	1.4
206.87389	1.1
208.09688	17.4
220.09737	2.2
223.07506	2.0
238.10770	3.2
250.10730	10.1
253.85100	1.1
268.11786	1.3
286.12796	1.8
304.01654	2.1
304.13895	2.3
305.15637	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
55.86663	0.4
56.05032	12.7
57.07071	8.8
58.06594	6.6
60.04518	2.8
61.92702	0.4
68.05005	0.7
69.07054	0.7
69.18205	1.2
69.18613	1.4
70.06580	0.7
71.08624	3.6
74.05649	0.5
74.06072	10.1
81.07054	0.5
85.10175	1.9
86.06056	1.9
88.07623	38.4
89.07991	0.5
91.05466	0.8
92.50574	0.4
95.08590	0.5
98.23450	0.6
104.07107	0.8
105.07005	0.5
118.08649	6.6
122.08141	6.9
154.59933	0.4
171.76285	0.4
228.22911	0.5
256.26328	35.0
257.26633	1.8
268.26321	0.5
286.27365	3.3
304.28418	100.0
305.28741	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	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33040	1.4
56.05032	27.5
57.06817	1.9
57.07073	26.6
57.97322	1.4
58.06594	18.2
60.04518	3.9
65.49837	1.3
68.05029	3.3
70.02020	3.5
71.08626	20.1
74.06075	28.2
85.10181	8.9
86.06061	5.4
88.07619	2.6
91.05482	1.7
98.09960	1.3
98.22817	2.4
104.07088	1.7
104.96440	1.7
113.05952	2.2
118.08654	10.1
122.08123	44.8
127.49748	1.5
137.05948	7.2
168.13895	1.6
173.50117	1.5
256.26331	2.6
304.28433	100.0
305.28818	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	305.0654
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
51.02386	0.2
51.78768	0.1
52.60014	0.1
53.03938	0.5
53.22014	0.1
55.01854	0.4
57.40903	0.2
59.42036	0.1
65.03954	0.2
67.05489	0.2
68.99789	0.5
69.03399	0.2
70.05811	0.5
71.01324	0.2
74.06113	0.1
81.03407	4.7
81.68021	0.1
83.75744	0.1
85.02891	0.3
93.07042	0.1
95.04963	0.2
97.02896	0.3
99.04449	0.4
105.03407	0.2
107.01326	0.9
107.04898	0.2
109.02864	1.5
111.00803	0.4
111.04431	0.6
116.90911	0.2
119.04971	0.2
121.02872	0.6
123.04425	0.5
125.02312	0.2
126.01062	0.4
127.03905	3.6
131.04829	0.2
135.04366	0.3
137.02339	100.0
137.03429	10.5
138.02684	2.0
139.03885	5.2
140.04205	0.2
144.02092	0.4
147.04428	0.7
149.02344	0.3
151.03906	0.7
153.01839	0.5
158.42802	0.1
161.02289	0.3
161.05933	0.2
167.03389	0.4
175.03923	0.4
177.01782	0.9
177.05420	0.2
179.03374	3.4
187.61163	0.2
188.36024	0.2
189.05414	0.2
193.04930	0.2
195.02847	1.0
203.03372	2.5
213.05519	0.2
217.04933	0.2
221.04460	0.5
231.06474	0.2
245.04460	0.5
259.05963	0.2
269.04437	0.2
287.05423	2.3
305.02567	0.3
305.06494	2.7
305.10266	0.2
305.11673	0.2
305.14963	0.2
306.06619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	5.4
69.03418	1.9
69.98220	0.9
70.92576	1.2
79.05515	1.1
81.03434	0.8
85.02879	1.0
97.02879	0.8
98.97571	4.2
101.00921	1.6
102.12796	0.9
116.98623	2.2
119.01915	3.5
124.07597	3.0
125.07920	3.7
127.03896	1.0
128.98627	1.0
130.93286	1.5
131.01917	1.3
137.02336	18.9
137.03479	3.2
137.06004	1.3
139.03978	1.5
143.01936	3.0
143.06879	1.3
143.09026	0.9
146.91862	2.2
161.01675	1.3
161.02934	7.7
172.94397	3.7
173.02910	1.0
173.61140	0.8
175.07581	2.2
187.07582	1.3
190.95422	4.8
192.13139	0.9
203.04039	1.3
208.96509	2.5
215.07068	1.6
219.01793	1.8
221.29697	0.9
232.96336	4.3
237.02850	3.2
241.08458	1.3
250.97519	2.5
280.95029	1.1
305.12103	100.0
306.12488	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	305.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58928	0.2
56.96561	9.3
58.30731	0.2
58.99863	1.4
69.03424	1.0
69.67869	0.5
69.68246	0.4
70.98116	2.5
70.99848	2.0
71.95255	0.2
77.00904	0.9
81.03419	0.7
81.04540	1.1
84.96027	0.4
85.02890	0.5
85.06533	0.3
88.99164	0.8
89.00916	1.5
95.06087	0.9
97.02875	0.4
98.23438	0.4
98.97575	9.9
99.04470	0.5
101.00902	0.7
106.73863	0.2
107.01926	0.4
110.97581	0.9
112.99132	0.5
113.00870	0.6
113.04507	1.1
115.00698	0.2
115.02437	0.4
116.98613	3.8
119.01920	0.7
124.95480	1.0
124.99149	0.2
125.07104	1.5
128.85812	0.2
128.98625	0.9
129.02219	0.3
129.04010	0.6
131.00186	0.2
131.01900	1.3
131.05533	5.9
133.01729	0.2
133.03453	0.4
134.99634	1.3
140.98598	0.3
142.01747	0.5
142.96519	1.1
143.00226	0.5
143.01956	0.2
143.03394	0.3
143.07077	0.2
143.08138	4.6
144.98109	0.3
145.01694	0.4
145.03477	0.6
146.01036	0.4
146.93036	0.2
146.99680	0.7
147.03294	0.4
147.04990	0.2
149.06606	1.1
154.96513	0.3
155.01895	0.9
156.98088	0.3
158.99669	0.8
160.97580	0.6
161.01256	0.5
161.02975	0.4
161.06577	5.9
165.00679	0.3
170.95982	1.4
170.99657	0.2
172.97618	1.6
173.01396	0.2
173.02997	0.9
173.06636	0.3
174.99165	0.9
176.93640	0.2
177.00653	0.5
177.04370	0.5
179.07706	0.5
184.97626	0.8
185.06535	0.3
186.99182	0.4
187.08138	0.3
188.97050	2.6
189.00624	1.0
190.00778	0.2
190.98628	1.6
191.02284	0.3
193.00291	0.4
194.94727	0.3
197.06616	0.9
201.00703	0.3
202.98613	1.4
203.02148	0.4
203.03964	0.4
203.07637	4.3
203.09431	0.4
205.00250	0.7
206.98181	1.1
209.06664	0.6
214.98674	0.7
215.07614	6.1
216.07925	0.4
217.00298	0.5
217.09273	1.8
219.01854	0.4
220.99677	1.5
221.05008	1.2
227.07567	0.4
230.98151	2.1
232.99629	1.2
237.02965	0.3
239.00757	0.3
239.07646	1.5
244.99823	0.4
245.03072	0.3
245.08728	0.6
248.99203	1.0
257.08658	0.3
263.00717	1.4
275.09726	0.3
281.01657	1.2
305.12045	100.0
306.12500	3.2
323.06613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53138	0.8
53.03703	1.1
53.03941	14.7
55.01863	2.7
55.05485	1.9
56.05038	1.1
57.03426	7.1
57.07064	2.0
61.02906	4.1
67.05489	0.8
68.99786	4.8
69.03420	70.9
70.90254	1.2
71.04984	13.2
73.02932	1.1
73.06532	1.2
74.06071	1.5
79.05474	1.2
81.03408	78.1
82.03751	0.9
83.01297	1.0
83.04983	1.0
85.02894	49.5
87.00817	24.5
91.05465	1.1
92.95841	0.8
95.08575	1.1
97.02881	15.2
97.06487	1.0
99.04440	22.5
105.01839	5.7
109.02863	64.6
110.03217	1.1
115.07580	1.0
119.95889	0.9
121.70097	0.8
123.04416	0.8
127.03899	100.0
128.04257	1.9
128.10661	1.7
129.01843	2.1
136.07585	1.4
137.02336	91.1
137.03433	8.2
138.02689	1.5
139.03886	5.7
143.03444	0.9
143.07037	0.8
143.10652	1.6
145.04938	2.5
146.11749	3.5
147.02896	1.1
153.01819	2.4
175.03859	0.9
177.01697	1.0
179.03363	3.7
195.02827	1.3
203.03362	1.7
213.03932	3.6
231.04997	14.0
232.90100	0.8
234.12918	0.8
241.08418	1.6
245.09244	1.1
264.27701	0.8
269.12842	1.4
287.05417	2.1
287.10229	1.2
287.13971	1.1
305.06451	2.7
305.10660	1.0
305.14734	1.4
305.20819	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47446	0.3
53.03951	0.6
55.05514	0.3
65.03912	0.4
67.05493	0.7
70.43342	0.5
77.03942	1.0
79.05499	0.4
81.07047	1.0
83.39025	0.3
91.05466	3.5
93.05795	0.8
93.07023	2.4
94.06567	1.0
95.04975	1.9
95.08634	0.4
96.08124	1.1
97.06512	0.3
98.23385	0.3
105.04504	0.9
108.04440	0.4
108.08127	1.6
109.56472	0.3
122.06017	3.5
124.07578	9.5
126.05487	1.2
136.07564	100.0
137.07928	2.4
138.09097	1.1
140.07033	1.0
148.57910	0.3
150.05522	0.7
152.07056	17.6
153.07307	0.3
164.07051	75.0
165.07440	2.3
170.08095	3.7
182.08116	13.9
183.08406	0.4
241.08624	1.1
259.09805	0.3
287.13852	4.0
305.14944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05505	0.3
59.06608	0.3
65.03944	0.3
67.05500	1.0
68.66373	0.2
69.07080	0.3
69.85506	0.5
69.85896	0.8
73.67867	0.3
77.03937	0.8
79.05472	0.8
80.05039	0.3
81.03403	0.6
81.07038	1.5
83.04961	0.3
85.02888	0.3
91.05466	3.9
93.05788	0.8
93.07029	3.0
94.06561	0.6
95.04943	2.3
95.08617	0.6
95.79173	0.2
96.08112	0.8
97.06514	0.6
98.22764	0.4
99.54343	0.3
105.04491	0.9
105.07007	0.6
108.04463	0.3
108.08110	1.7
122.06016	4.0
124.07583	9.1
126.05500	1.2
130.05009	0.6
132.17482	0.3
135.11624	0.3
136.07558	100.0
137.07928	2.3
138.09116	0.6
140.07018	0.8
141.06949	0.3
143.08476	0.3
150.05446	0.5
152.07045	16.9
153.01793	0.6
153.07344	0.4
159.11627	0.3
164.07043	74.1
165.07399	1.8
170.08124	5.8
176.14357	1.8
182.08109	15.5
183.08392	0.3
184.09682	0.4
187.07446	0.3
199.07521	0.3
214.37711	0.3
217.08643	0.4
227.06935	0.3
287.13751	2.5
287.16571	0.4
288.16113	0.3
290.96854	0.2
296.85022	0.3
301.55167	0.3
305.05615	0.5
305.14890	1.5
305.17935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
54.18502	1.4
55.01868	6.7
55.05506	14.3
57.03428	6.9
57.07059	2.5
59.04997	2.2
65.03926	6.1
67.05501	68.8
69.03416	3.9
69.05496	6.0
69.05913	3.9
69.07071	8.2
71.04996	2.0
72.04508	5.1
79.05042	2.6
79.05487	38.8
81.03445	2.1
81.07050	41.6
82.07340	1.4
83.04975	8.9
83.08616	3.9
85.06534	4.6
91.04935	3.0
91.05470	33.0
92.05807	3.0
93.07033	25.7
95.04961	100.0
95.08598	21.3
97.06519	4.6
97.10145	2.6
104.37067	1.8
105.07016	19.3
107.04952	13.2
107.08587	16.1
109.06497	32.3
109.10165	6.6
110.12906	1.4
111.08053	3.4
115.05456	3.2
116.06188	3.1
117.06994	8.5
119.08552	9.5
121.06478	7.7
121.10126	5.0
123.08039	3.3
125.09615	3.4
128.06239	2.3
129.06976	4.5
130.07671	2.2
131.08566	13.6
133.06506	5.0
133.10117	6.4
135.08052	25.9
135.11681	6.6
137.05956	6.3
139.11157	1.8
143.08548	8.9
145.10138	10.5
146.27444	1.5
147.07988	6.5
147.11685	3.3
149.09624	6.3
149.13197	3.5
157.10120	4.2
159.11674	3.6
161.09592	4.8
161.13203	1.4
163.11209	5.4
171.11714	3.3
173.09592	1.8
175.11176	1.9
177.12683	4.2
183.42792	1.6
187.11205	1.9
200.60687	1.5
205.12148	3.1
217.15846	3.6
221.15254	6.8
227.17879	2.5
245.18996	2.5
255.17155	1.9
273.18509	22.6
274.18875	2.2
305.17923	2.3
305.21121	17.8
305.30435	2.9
306.27902	6.1
315.46710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
55.01870	11.4
55.05508	53.6
57.03428	6.0
59.04995	5.4
67.05490	50.5
69.03424	8.2
69.07064	26.1
71.04974	4.7
74.27258	4.4
75.02518	4.0
77.03912	5.4
79.05486	82.4
81.07049	83.5
83.04961	8.9
83.08595	15.5
85.06520	9.8
91.05470	100.0
93.07035	81.4
94.65755	4.0
95.04939	22.2
95.08588	49.0
97.06515	12.1
97.10141	11.0
99.08040	5.4
103.05408	4.4
105.04534	6.0
105.07027	78.5
107.04958	8.3
107.08570	39.1
109.06512	16.6
109.10149	14.6
111.08105	4.5
115.05416	8.7
116.06232	5.8
117.07011	37.7
119.08563	45.6
121.06492	15.8
121.10130	33.5
123.08074	14.4
125.09640	16.5
128.06200	16.5
129.06999	27.8
130.07787	11.0
131.08559	97.4
133.06473	10.1
133.10091	30.9
135.08083	10.7
135.11679	18.0
137.05965	17.8
137.09613	4.0
139.11186	13.3
139.78171	4.2
141.06996	10.8
142.07799	5.8
143.08539	65.5
145.06479	6.0
145.10100	86.2
147.08067	13.4
147.11690	11.5
149.09605	13.7
149.13240	4.6
155.08531	4.0
157.10109	23.0
159.08057	6.5
159.11707	18.9
161.09627	15.9
163.11168	5.4
169.10162	12.4
169.32147	4.4
171.11673	18.7
173.13246	4.7
175.11182	6.9
179.08965	4.0
181.10092	10.2
183.11629	8.1
185.13336	6.8
195.11674	10.1
197.13332	4.6
197.55974	4.8
211.14925	5.9
213.12834	5.4
213.16428	4.6
217.14311	5.1
227.17924	5.0
236.51131	3.7
237.16362	13.0
255.17361	15.5
273.18484	40.3
287.20087	8.1
305.17715	6.6
305.20901	24.8
305.31427	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72709	0.4
58.02939	0.5
60.23745	0.3
69.07043	0.7
70.66205	0.8
79.05482	0.9
81.07042	0.6
94.04178	0.9
97.06554	0.4
101.12551	0.3
101.90948	0.4
107.08616	0.4
109.06506	0.5
109.10179	0.8
114.09167	0.7
122.03629	3.8
133.10130	1.3
135.11693	1.3
137.05966	100.0
138.06334	2.4
153.12701	1.2
170.15398	3.7
182.15404	3.3
194.07498	0.4
266.42435	0.4
306.20605	1.7
306.80811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99857	1.4
67.40486	1.0
69.15163	5.9
82.99844	3.6
94.92943	1.3
99.48293	1.2
101.00866	36.4
101.01544	1.9
102.00948	2.2
105.00333	1.5
113.00865	5.8
115.02415	1.9
118.03529	2.4
119.01904	63.4
120.02034	1.4
131.01895	18.9
133.03427	3.0
136.73523	1.3
137.02922	5.0
139.03874	14.9
141.05011	1.4
143.01881	55.9
144.01984	2.0
145.03413	3.3
149.02954	3.4
155.01881	18.5
157.03455	3.9
161.02937	100.0
161.07764	2.2
162.03114	5.0
163.03947	1.2
167.12297	1.1
173.02943	34.5
174.03069	1.4
179.04036	2.1
184.04523	1.6
185.02950	9.4
187.00900	5.6
187.05664	3.9
191.03984	11.8
202.89027	11.6
203.03975	18.9
205.01926	34.7
205.06630	2.4
206.02075	2.0
215.00270	3.0
217.02040	1.0
220.90932	1.4
221.05025	17.5
223.02957	4.5
229.01950	1.6
235.02930	2.7
238.92041	2.1
239.06079	15.0
239.08435	2.2
247.02937	7.9
263.06076	14.8
267.08185	2.1
271.11517	1.2
307.04938	5.2
307.10483	1.8
321.97958	1.1
329.33920	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.6
69.03426	2.3
70.06596	0.9
81.03398	1.4
87.25267	0.7
97.02903	1.2
98.23299	0.9
98.97594	2.7
99.04450	1.3
101.00874	3.6
105.32737	0.7
109.02860	1.0
116.98621	2.3
119.01921	11.2
127.03893	1.0
134.99675	1.1
137.02991	2.0
139.03882	11.1
143.01881	1.4
153.01866	1.6
161.02951	4.0
164.08232	1.1
173.03035	1.0
177.00932	13.8
178.01164	1.0
183.01117	1.2
185.23666	1.0
201.00914	1.9
203.03937	0.8
205.01967	1.7
211.23573	0.8
217.04018	2.4
219.01974	19.5
220.02220	2.2
221.01781	1.1
225.00935	2.3
239.06133	1.2
243.01941	8.3
247.02908	1.0
256.97525	0.9
261.03055	100.0
262.03134	9.8
284.04745	3.7
301.98254	0.9
325.02432	0.8
327.38708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84378	5.8
69.66262	22.1
71.43360	6.8
72.28016	5.3
76.98935	5.1
98.22791	8.6
101.00870	38.3
113.00858	11.6
114.94662	5.6
116.98608	5.7
119.01910	70.6
131.01924	27.5
143.01894	43.9
144.64127	5.3
150.39809	5.5
155.01909	35.0
161.02942	100.0
173.02946	37.5
173.80460	7.0
174.02969	7.3
185.02991	13.4
187.00922	6.3
191.04024	16.1
202.89116	11.2
203.04076	10.6
205.01924	31.7
221.05061	24.2
223.02974	9.8
239.06133	19.1
263.06113	16.7
307.07690	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00306	0.6
55.01858	0.8
59.72426	0.2
65.03927	1.0
67.05490	0.8
68.99768	1.1
69.03414	0.2
71.01338	0.2
71.32875	0.2
75.46066	0.2
79.05482	0.3
82.31163	0.2
83.04962	0.7
85.02886	0.2
85.93575	0.2
93.03393	0.8
95.04956	1.6
97.02907	0.4
103.05481	0.2
107.04967	1.3
111.04419	1.3
117.03368	0.5
121.02852	1.1
121.06509	0.2
123.04450	1.2
127.03920	1.3
131.04939	1.3
133.02829	1.4
135.04405	3.1
139.03885	100.0
140.04225	2.7
145.02835	0.5
147.04459	0.2
149.05927	0.9
151.03882	4.1
153.01819	0.5
153.05467	0.9
155.03372	0.6
159.04399	2.0
163.03889	10.2
164.04231	0.3
165.05464	0.3
167.07033	0.3
169.04938	2.0
177.05452	2.9
179.03343	0.2
179.06953	0.2
181.04938	5.3
195.06525	2.4
201.05376	0.2
204.06335	0.3
205.04930	0.8
219.06578	0.2
223.05981	1.5
229.05016	0.2
247.06006	0.7
265.07040	0.2
271.06033	0.3
281.12036	0.2
289.07086	1.0
297.39905	0.2
307.08145	1.0
307.16476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93354	1.0
63.86578	0.8
66.22873	1.0
69.54240	3.8
71.82788	1.0
86.39965	1.2
177.05496	1.9
187.03683	1.2
202.05978	30.3
205.04990	1.9
233.04434	3.4
275.08856	58.4
276.09219	2.8
281.06403	1.1
307.11456	100.0
308.11691	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	307.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01874	5.4
55.05499	2.4
57.03429	13.2
59.27594	1.1
66.45934	1.2
67.05498	6.6
68.99798	1.5
69.03421	3.8
69.07063	9.3
70.07576	2.7
70.07915	1.7
76.68219	1.2
78.82072	1.2
79.05483	5.5
81.03405	2.0
81.07049	11.4
83.04991	2.4
83.08617	1.3
85.02903	2.0
85.06515	3.5
87.00805	3.9
91.05495	5.9
93.07027	8.9
94.06557	1.7
95.04962	2.6
95.08593	7.1
95.94680	1.3
97.06526	23.6
98.22681	1.7
103.05466	12.1
105.07024	4.4
107.08601	5.5
108.08115	1.6
109.10149	5.3
111.08079	1.8
115.05453	4.3
117.07005	4.5
119.04897	1.9
119.08557	4.4
121.10132	3.6
122.06017	12.2
123.04428	11.9
123.11691	3.7
124.07601	4.0
124.98131	1.3
125.26591	1.4
126.09200	2.0
128.06177	2.8
129.07008	4.9
131.04903	25.7
131.08548	4.0
133.06502	3.1
133.10129	2.3
135.11722	2.6
136.07562	5.1
137.02345	2.7
137.08017	1.3
138.09120	5.7
140.10675	2.5
141.06975	8.4
142.07816	1.9
143.04901	4.2
143.08568	5.2
144.05699	2.0
145.06465	5.7
145.10104	4.5
147.04362	10.8
149.05963	32.0
149.13258	6.5
150.05481	6.8
152.07126	3.1
153.06992	7.0
154.07738	3.1
155.08551	20.2
157.06474	2.4
159.08043	6.1
160.05188	9.4
161.05956	23.5
161.14766	1.2
163.03905	5.5
163.07541	3.5
163.14870	1.8
164.07060	5.6
165.07022	5.6
166.07509	1.5
167.08566	1.6
168.05635	3.3
169.06468	5.5
169.10129	8.8
170.08165	3.3
171.04364	2.0
171.08022	2.9
173.05963	27.0
173.09581	2.6
174.06715	6.5
175.03874	25.5
175.07491	10.6
177.05452	6.8
179.08540	12.5
181.06459	6.9
181.10023	2.3
182.07219	1.8
183.08047	13.4
185.05945	4.8
185.09601	3.9
186.06697	10.4
187.03915	4.5
187.07521	44.0
187.11160	2.1
188.08090	2.8
189.05493	9.9
189.09081	27.4
191.03439	2.5
191.10693	2.5
192.04176	2.9
193.04964	15.6
193.06520	3.3
197.05992	8.7
197.09596	17.0
199.03903	2.0
199.07504	18.3
200.04672	1.9
200.08374	6.5
201.05524	6.5
201.09084	100.0
202.09557	3.8
203.06985	3.1
203.10721	4.7
205.04977	4.7
205.08594	2.2
207.07990	10.1
209.09598	2.8
210.06714	5.7
211.07509	34.9
212.08215	5.4
213.05460	1.7
213.09001	2.3
214.06245	6.2
215.07176	8.8
215.10661	27.4
216.20154	1.5
217.04959	12.2
217.08604	4.4
219.10150	15.0
220.10378	1.6
221.04414	2.9
221.11697	2.2
225.09077	77.1
226.09384	2.0
227.06979	2.3
227.10635	3.9
229.05070	2.5
229.08563	54.2
230.09012	2.4
233.08154	3.9
242.05711	2.8
243.10146	42.7
245.08063	22.6
245.11684	3.8
247.05956	6.4
247.09581	10.4
253.08562	14.3
261.07483	2.7
261.11182	8.4
263.09341	1.3
263.12759	8.7
271.09619	54.5
272.10083	2.1
289.10669	37.2
290.11044	2.1
307.12003	10.8
307.26285	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	307.1286
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.54595	0.3
52.90535	0.3
55.01860	2.0
57.03414	0.4
66.10508	0.3
69.03416	0.4
69.07054	0.4
69.51170	0.3
69.76711	0.6
70.06599	0.3
71.04972	0.6
78.31834	0.3
79.05472	0.8
81.03418	0.4
81.59618	0.2
84.04482	0.3
85.02837	0.3
91.05458	0.6
93.07036	0.7
95.04958	0.5
96.04489	0.6
97.06537	0.3
98.06020	0.9
105.03354	0.3
105.07008	0.6
106.06542	0.6
107.08599	1.6
108.04471	1.4
109.02840	0.4
109.06503	0.4
110.06037	0.5
120.04455	0.4
122.06039	2.2
123.04412	0.4
124.07561	0.8
127.03886	0.4
128.06210	0.3
129.07004	0.4
130.06436	0.6
131.04907	0.5
131.08534	0.4
132.08112	0.7
133.06512	0.3
134.09694	0.3
135.08029	2.3
136.07570	1.2
138.05441	0.3
140.07054	2.1
141.06956	0.3
144.08109	0.6
145.06387	0.4
146.06003	0.5
146.09641	0.4
147.04378	0.4
148.03931	0.5
148.07529	0.6
150.05453	0.4
150.09119	0.5
151.11580	0.3
153.06883	0.3
155.07278	0.3
156.08041	0.8
157.06487	0.4
158.05969	0.4
158.09662	0.5
159.08018	0.4
159.09200	0.4
160.07536	2.2
161.08311	0.3
162.09167	0.8
163.08656	1.2
164.07043	0.6
168.06549	2.1
168.07813	0.4
170.05952	0.3
170.09723	0.5
172.07521	0.6
173.07077	0.7
173.10724	0.7
174.05452	0.4
174.09109	2.7
176.07018	0.6
176.10703	0.4
177.10201	1.4
178.08611	15.6
179.08905	0.3
182.08089	0.8
183.07997	0.3
184.07561	1.8
185.08330	0.4
186.09152	0.6
187.06085	0.4
187.07350	0.7
187.08870	1.7
188.07080	4.2
188.10674	0.4
190.08643	0.3
191.08154	0.8
196.09689	0.8
198.09135	2.0
200.10724	0.6
201.06509	0.8
201.10361	2.9
202.08612	6.2
202.10455	0.6
204.10172	0.4
205.09702	4.3
206.08083	3.1
210.09094	0.3
212.07143	0.8
215.08241	0.6
215.11787	0.6
216.06836	0.4
216.10233	3.3
217.09679	0.6
219.07654	1.1
219.11255	5.9
220.09692	2.1
225.10194	0.7
226.08607	2.2
229.09724	5.1
230.08102	3.9
230.10330	0.4
234.09827	0.4
235.10890	0.5
243.11360	2.1
244.09650	4.3
246.11450	0.3
247.10760	12.5
248.09108	0.8
248.11266	0.4
253.09631	0.3
254.08145	0.8
261.12341	1.3
262.10730	1.9
265.11804	14.0
266.12137	0.9
271.10846	1.7
272.09116	1.8
275.13800	0.5
289.11795	17.5
290.12350	0.6
307.12827	100.0
308.13150	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	307.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83707	0.5
53.03926	0.7
56.86224	0.4
62.67556	0.4
69.13564	2.5
79.05470	0.8
81.07047	1.4
91.05464	1.1
93.07028	1.9
94.06497	0.8
96.08091	1.1
98.23226	2.2
108.08099	1.5
122.06015	2.3
123.06768	1.8
124.07580	8.0
126.09112	4.1
130.06508	0.8
132.04359	0.5
136.07556	60.9
137.07895	1.3
138.09117	54.1
139.09454	0.9
140.07033	1.8
150.05536	0.6
152.07047	16.1
153.07408	0.4
164.07040	100.0
165.07391	2.5
170.08110	4.2
176.07039	1.0
182.08096	21.3
183.08423	0.5
289.15314	3.1
291.36484	0.5
307.09354	1.2
307.16431	1.4
308.10370	0.7
310.99423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60080	0.6
53.03925	1.6
54.48445	0.6
55.01856	0.8
55.05489	2.0
62.46394	0.6
65.03941	0.6
67.05498	2.1
68.05019	0.9
69.03403	1.8
69.07070	0.7
71.04970	0.9
71.43665	0.7
79.05476	5.1
79.97196	0.7
80.05006	0.8
81.03397	1.8
81.05782	2.8
81.07044	8.6
83.04957	0.7
83.08578	0.7
85.02901	6.3
89.74612	0.7
91.05469	2.0
93.07028	3.4
94.06544	1.4
95.04951	2.0
95.08600	3.0
96.04491	0.7
96.08117	14.4
97.02881	1.7
97.06521	2.6
98.98486	0.7
99.04458	1.7
103.03950	2.5
105.07013	1.3
106.06544	2.4
107.04929	0.9
107.08581	1.4
108.08127	2.0
109.02861	2.1
109.06496	1.3
109.10171	1.4
119.08578	1.1
120.08093	0.9
121.10144	1.1
122.06003	1.7
122.09686	3.4
123.06831	0.8
123.11694	0.7
124.07578	100.0
125.07909	2.5
126.09157	4.5
127.03908	3.4
130.04959	0.7
131.08571	1.4
133.10103	1.9
136.07559	56.3
137.07904	1.5
137.09825	0.8
138.09120	51.8
139.09431	1.0
140.07060	1.2
141.95081	0.6
145.04884	1.0
145.10065	1.0
147.04376	0.9
148.07439	0.7
149.05916	0.7
149.13315	0.7
150.05540	0.8
152.07037	15.2
155.08601	0.9
157.06482	1.0
159.08014	0.6
161.13197	0.9
164.07045	79.6
165.07347	1.8
166.08626	15.7
167.08923	0.6
170.08131	5.6
175.07544	3.9
176.14330	1.0
182.08113	21.1
184.09673	1.8
187.07530	0.8
193.04939	1.6
201.09148	1.5
203.03410	0.7
203.06969	0.6
215.06973	0.8
219.10141	1.6
225.09158	1.1
230.07777	0.7
243.10159	0.7
245.08052	2.7
247.14471	0.8
289.10794	3.0
289.15417	15.6
290.15604	0.8
307.02234	0.7
307.16492	5.5
307.19604	1.0
308.18600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20305	1.2
56.05021	4.5
58.06335	1.4
58.06596	18.6
60.04519	1.0
71.03706	1.3
71.06018	1.2
71.07359	1.1
81.03426	1.0
82.06561	1.4
84.04500	25.1
84.08137	100.0
85.06544	4.8
85.07645	3.4
86.06060	8.2
86.09729	4.9
88.03970	1.9
105.07009	1.3
111.08067	2.8
117.07001	1.1
120.08052	1.1
128.10756	1.5
128.16719	0.9
130.08580	1.3
136.07559	8.9
138.09146	1.6
141.13864	7.7
144.08102	1.8
146.06010	10.2
148.07544	4.2
151.08635	3.5
162.09116	1.5
169.13333	10.0
172.05232	1.1
172.07611	6.8
175.08701	1.2
176.07060	3.5
176.10683	3.5
177.10219	10.7
178.08638	4.3
186.08997	1.3
190.08603	6.4
192.10092	1.1
201.10211	1.6
203.95096	1.1
204.10162	10.0
205.09712	5.4
206.10365	1.4
214.08580	1.1
215.11858	2.4
215.13881	37.7
218.08109	2.1
218.11807	2.9
220.09731	2.8
232.09642	14.5
233.12849	3.5
236.12785	51.8
237.13091	2.2
243.17007	49.8
244.17317	1.8
246.11264	15.0
247.14374	3.4
250.10722	12.4
257.12915	1.4
258.11221	6.7
262.11148	1.8
262.14148	1.0
264.12314	20.1
275.13882	31.9
276.14236	1.3
279.17053	9.5
289.15454	2.4
290.13882	3.4
307.16553	59.9
308.18872	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	3.3
58.06593	5.9
67.48150	0.4
69.03415	0.5
69.05786	0.4
69.07069	0.4
69.26297	1.7
69.26698	1.2
78.25242	0.4
79.26517	0.4
81.03413	0.7
84.04499	25.5
84.08135	100.0
85.02892	1.6
85.04809	0.5
85.07669	0.8
85.08479	1.2
86.06059	6.9
86.09701	6.0
88.03978	1.9
94.19621	0.5
97.02966	0.4
126.20172	0.4
130.08656	1.6
136.07558	1.0
141.13863	5.3
144.08105	0.6
144.10178	0.8
146.05994	43.6
148.07559	0.6
169.13336	7.7
177.10225	1.1
192.15166	0.5
198.11279	1.1
204.10199	1.1
215.13885	41.8
216.14221	0.9
232.09727	1.6
233.12796	0.6
236.12804	4.5
243.17015	56.8
244.17328	1.4
244.69846	0.5
246.11403	0.9
250.10838	1.0
258.11172	0.5
261.16431	0.6
262.11014	3.6
264.12296	2.1
275.13791	3.5
279.17212	0.6
289.15833	0.7
307.16736	18.6
308.11188	1.1
308.16943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.42014	24.9
55.01872	26.5
55.05515	59.6
57.03443	35.9
57.73585	25.4
67.05497	81.0
69.07076	34.8
71.08501	46.5
72.41247	25.4
79.05459	41.0
81.07060	32.0
91.05476	48.9
95.08583	53.7
97.10188	43.7
98.23184	33.7
107.08569	45.6
113.70322	25.3
117.07030	39.7
119.08631	46.7
125.09660	48.0
135.08093	41.9
141.71846	23.8
159.08081	51.4
164.92084	33.0
171.17807	29.4
177.63011	26.2
213.34793	26.8
261.03143	41.0
271.17010	33.6
289.17990	95.2
307.09680	33.2
307.18903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03931	6.3
55.01861	11.9
55.05503	61.5
57.03424	18.3
57.27991	4.1
59.04996	5.7
65.03932	5.5
67.05504	49.9
69.03415	7.9
69.07059	18.0
71.04988	7.2
71.43152	5.5
74.84375	3.7
79.05105	4.9
79.05495	54.8
81.03416	8.4
81.06572	6.0
81.07047	58.8
83.04974	12.7
83.08607	24.7
85.06564	4.6
91.04938	6.7
91.05476	83.8
91.06043	5.3
92.75362	4.1
93.07042	49.0
95.04961	45.7
95.08592	26.1
97.06538	19.3
97.10152	43.5
103.05454	5.7
105.04522	4.7
105.07014	74.6
107.04932	16.9
107.08598	31.9
109.06513	22.1
109.10145	14.0
109.18152	3.5
111.08044	5.9
115.05456	10.0
117.06993	31.7
119.08572	84.7
121.06506	16.1
121.10136	18.0
123.08051	5.6
125.09609	26.6
128.06186	14.7
129.07005	16.9
130.07777	5.5
131.08566	31.8
133.06519	9.9
133.10098	61.1
135.08031	20.5
136.20885	3.3
137.05936	4.3
141.06966	15.0
142.07748	11.4
143.08549	55.3
144.09370	10.8
145.06467	14.0
145.10107	44.0
147.08043	27.7
147.11679	8.7
149.09605	8.5
154.07829	8.0
155.08510	12.3
156.09323	10.3
157.09000	3.8
157.10091	22.6
158.10751	4.1
159.06900	3.6
159.07956	19.3
159.11655	30.4
161.09639	16.7
163.07520	10.5
163.11203	5.6
165.06993	8.3
165.09077	9.3
165.12775	6.2
167.08556	15.1
169.10109	28.0
170.10934	6.7
171.11664	20.9
173.09666	9.1
173.13257	13.7
175.11247	5.0
177.09087	6.3
179.08534	13.3
180.09261	6.6
181.10071	14.2
181.11539	4.0
182.10936	20.4
183.11693	16.0
185.13287	6.8
187.11128	8.5
189.11188	23.9
193.10149	17.8
194.11017	4.8
195.11674	17.3
196.12425	7.8
197.13255	27.8
199.14734	5.5
206.10939	13.1
207.11655	22.7
208.12424	10.6
209.13248	16.2
211.14757	9.7
215.14307	6.5
217.10179	9.1
219.11644	9.2
220.12527	8.1
221.13264	26.7
223.14819	13.1
231.11725	4.3
232.12360	6.1
233.13123	11.7
233.15273	7.5
234.13936	9.4
237.16422	7.5
245.13319	7.1
247.14824	11.4
248.15584	6.0
249.16458	7.2
251.14342	7.3
253.15768	6.7
259.14835	9.8
260.15533	6.7
261.18518	7.8
263.17987	25.4
265.15756	6.1
271.16919	26.8
274.17130	8.1
275.20050	7.4
279.20987	8.3
289.17572	45.1
294.96774	4.7
307.20697	100.0
308.20786	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.39478	1.8
53.03936	3.9
55.01870	12.9
55.05508	30.6
55.09272	1.6
57.03428	5.2
57.07073	2.5
60.29303	1.9
65.03922	3.0
67.05500	73.0
69.03428	4.0
69.07068	26.4
69.59736	8.0
71.04968	4.8
79.05042	3.0
79.05489	46.5
81.03393	8.1
81.07053	85.8
83.04965	7.9
83.08606	14.1
85.06527	5.2
85.16762	1.7
86.35506	1.8
91.05475	49.3
93.07040	44.9
95.04962	49.1
95.08601	46.7
95.09206	2.6
97.06528	11.4
97.10157	7.6
99.08092	3.4
105.07020	45.4
107.04945	8.1
107.08582	32.6
109.06518	17.4
109.10142	26.5
111.08070	5.6
115.05460	2.1
117.07029	16.3
119.08575	45.4
121.06496	9.7
121.10139	23.4
123.08064	21.8
123.11706	9.6
123.67442	1.9
125.09635	3.3
129.07025	5.3
131.08554	22.2
133.10126	37.5
135.08064	9.7
135.11687	9.4
137.09583	13.9
143.08484	2.7
145.10110	20.5
147.07991	3.3
147.11679	22.7
149.09604	14.5
149.13254	4.3
151.11165	13.2
157.10086	4.4
159.11674	15.0
161.09584	3.3
161.13220	7.3
163.11235	11.8
163.14795	2.2
165.12776	7.1
169.10115	3.5
171.11708	5.3
173.13219	9.3
175.11154	4.6
177.12830	2.9
183.11635	4.1
187.11266	2.1
187.14845	4.4
191.14427	2.2
197.13234	4.7
201.12639	2.9
207.13765	2.3
219.13766	2.9
229.19533	5.3
233.19269	2.1
239.17894	5.3
247.20453	13.1
251.16461	3.3
257.19028	9.6
272.78687	1.8
275.20041	100.0
276.20566	3.8
289.21613	11.3
307.22650	46.7
307.28174	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
53.56712	2.6
55.01868	25.5
55.05508	35.1
57.03427	6.3
57.07071	2.7
67.05497	52.2
69.03418	4.1
69.07057	28.3
71.04966	5.7
77.06446	2.2
79.05484	60.3
81.03427	6.1
81.07048	52.9
82.07356	2.3
83.04967	5.2
83.08598	15.4
85.06544	5.5
91.05472	41.8
93.07035	49.0
95.04966	16.0
95.08599	35.3
97.06522	33.7
97.10157	21.6
97.89040	2.4
105.07018	40.7
105.59381	2.5
106.16367	2.3
107.04958	17.2
107.08585	63.3
109.06519	16.9
109.10143	13.5
111.08069	5.0
117.06984	11.6
119.06040	2.6
119.08565	27.8
121.06497	9.6
121.10136	22.3
123.08065	8.3
123.11711	4.8
125.09628	19.8
129.07001	4.4
131.08563	19.1
133.10117	29.4
135.08040	9.7
135.11670	9.4
137.05949	7.5
137.09610	7.2
138.06303	6.8
139.07533	10.7
143.08540	7.0
145.10115	21.7
147.11653	18.8
149.09596	25.5
149.13275	2.8
151.11145	7.6
153.09116	7.8
155.08591	2.8
157.10231	3.9
159.11655	10.2
161.13255	6.2
163.11203	7.7
165.09099	2.6
165.12819	11.8
166.13185	3.0
169.10103	3.2
171.10104	2.3
171.11659	3.1
173.13252	9.4
175.11176	3.2
177.12749	6.7
185.13194	3.8
187.11116	4.0
197.13251	4.5
201.12595	3.0
203.12770	13.3
213.16241	2.5
229.19485	4.8
233.15250	3.6
239.17978	4.6
240.70148	2.5
247.20601	6.6
257.18924	13.1
259.95285	2.8
261.03024	2.5
275.20056	100.0
276.20422	4.5
289.18149	3.1
289.21509	6.4
290.21936	4.0
307.19647	3.9
307.22635	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03945	6.1
55.01614	1.7
55.01869	27.3
55.05505	37.5
57.03435	5.9
57.07068	2.1
57.24501	1.1
59.04997	2.3
60.55288	1.0
62.03160	1.0
63.67067	0.9
64.39965	1.3
65.03931	1.6
67.05500	46.9
67.39493	1.0
69.03416	3.5
69.07062	22.7
69.22607	1.1
70.03165	2.5
71.04979	2.4
71.32462	1.0
73.06549	1.9
79.05482	63.6
80.84016	1.1
81.03396	6.8
81.07050	43.2
83.04974	9.2
83.08614	17.3
85.06537	3.2
91.05469	44.6
92.56726	1.1
93.07035	46.9
95.04963	13.9
95.08595	24.8
97.06522	37.1
97.10159	27.6
98.06848	1.1
98.98435	1.1
99.08103	1.4
103.05455	2.3
105.04548	1.4
105.07024	44.5
107.04942	20.7
107.08584	100.0
108.08932	2.2
109.06512	12.3
109.10149	12.8
111.08069	3.6
117.07001	12.7
119.06105	2.6
119.08572	23.9
121.06491	6.4
121.10136	16.5
123.08050	6.3
123.11681	3.6
125.09622	31.8
125.10506	1.9
129.06998	3.7
130.07774	1.6
131.08551	16.0
133.06471	2.8
133.10118	23.3
135.08043	13.9
135.11707	11.8
137.05968	2.5
137.09592	4.3
138.06287	2.2
139.07538	1.6
139.11154	1.6
140.23622	1.1
141.06940	2.5
143.08560	3.0
145.06506	1.3
145.10114	22.5
147.08049	2.0
147.11684	15.4
149.09602	33.1
149.13240	3.0
150.10077	1.2
151.11169	6.1
153.09099	6.6
154.08142	1.1
155.08609	1.3
157.10139	4.0
157.12186	2.3
159.11670	13.5
161.09637	3.0
161.13249	6.1
163.11130	7.6
165.09114	4.0
165.12816	1.6
169.10126	2.3
170.65820	1.1
171.10187	1.9
171.11639	5.0
173.11818	1.8
173.13220	7.9
175.11179	3.1
177.12685	4.1
179.14195	1.4
181.12184	2.6
183.11696	4.0
185.13297	2.1
187.11200	4.3
187.14790	2.3
189.12653	1.7
197.13287	3.1
201.12772	1.3
203.12738	20.4
203.14346	1.0
205.12238	2.3
215.17850	2.2
219.17424	2.9
229.19438	5.2
233.19049	1.2
239.17952	7.2
247.20561	4.6
257.18958	12.6
263.25128	1.2
264.02423	1.1
275.20035	91.1
276.20401	4.2
289.21625	9.7
307.22644	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01864	6.2
55.05503	14.3
57.03426	3.7
57.07045	1.5
65.03933	2.2
65.40558	1.3
67.05159	2.3
67.05501	32.8
69.03440	1.5
69.07060	13.9
69.45117	1.1
69.67259	3.7
71.04993	3.2
74.27480	1.1
79.05485	40.8
81.03416	4.9
81.07052	100.0
82.07398	1.8
83.04965	4.5
83.08616	10.3
85.06516	2.3
91.05473	23.0
93.07035	20.9
95.04959	15.4
95.08591	17.9
96.84362	1.4
97.06519	8.1
97.10143	2.7
98.23505	1.3
99.08073	1.7
105.04507	1.7
105.07027	19.5
107.04355	1.2
107.04963	8.6
107.08578	13.8
109.06511	46.0
109.10148	7.3
109.34060	1.2
111.08073	4.3
117.07012	6.2
119.08591	14.8
121.06498	4.4
121.10144	11.4
123.08060	8.7
123.11695	3.8
125.09638	2.0
127.11176	1.2
129.06984	2.5
131.08574	11.2
133.06461	1.9
133.10138	15.3
135.08034	4.7
135.11678	4.0
137.09636	3.2
142.07657	1.3
145.06393	2.2
145.10095	9.0
147.08064	1.7
147.11638	12.3
149.09610	6.7
149.13219	6.4
151.11147	3.7
157.10135	3.1
158.50365	1.2
159.08086	1.4
159.11716	6.2
161.09624	2.1
161.13239	3.9
163.11160	7.0
163.14871	3.0
165.12740	3.6
169.10120	1.5
171.11722	1.5
173.13232	3.8
175.11116	3.4
177.12856	2.6
183.11691	2.4
187.14781	2.0
193.12221	4.7
197.13327	1.7
201.12738	1.5
207.13792	1.7
219.13715	1.9
229.19447	3.5
239.17923	1.8
247.20636	5.8
257.19003	8.5
275.20053	56.2
276.20291	3.4
289.21420	1.5
307.22678	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.4
55.01879	22.9
55.05506	35.6
57.03436	11.4
57.07080	5.0
67.05497	67.6
69.07059	38.4
71.09503	4.3
74.90703	4.3
79.05485	39.1
81.03416	13.7
81.07053	100.0
81.07501	7.2
82.07413	3.4
83.04954	8.3
83.08611	11.9
85.06544	8.0
89.04795	3.2
91.05461	33.6
93.07041	36.4
95.04955	12.2
95.08595	55.3
97.06510	36.0
97.10183	7.6
98.06069	3.6
98.22871	4.1
98.97338	3.1
99.04475	6.5
105.07021	39.6
107.04958	10.7
107.08586	22.9
109.06516	20.6
109.10142	19.1
117.07021	11.0
119.08573	15.7
121.10151	11.7
123.08048	4.2
123.11697	7.3
125.09624	7.8
131.08548	15.5
133.10109	16.4
135.11668	11.5
137.09660	4.5
139.07542	3.7
145.10123	9.3
147.11700	12.5
149.09610	17.1
149.13226	8.9
157.10062	4.7
159.11679	11.5
160.69981	3.5
161.13249	6.5
163.11218	5.7
163.14862	5.4
164.92067	7.7
165.12773	6.0
167.36447	3.0
170.94417	3.4
173.13309	3.5
175.14764	4.3
177.12744	5.9
179.14299	4.9
185.13313	3.0
187.11127	4.7
197.13135	4.5
201.16296	3.1
203.12660	4.2
203.14362	4.3
216.46774	3.6
219.17398	40.0
257.19070	5.2
275.19995	37.6
307.22604	10.3
307.26187	21.8
307.28485	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.97741	1.0
53.03932	1.8
54.19712	1.2
55.01855	3.8
55.05505	14.7
57.03423	1.7
57.07051	2.1
59.04990	2.9
64.06815	1.2
65.03917	1.9
65.42089	1.2
67.05499	21.6
68.07762	1.2
69.03397	1.7
69.07059	13.5
71.04985	10.5
73.06532	2.4
79.05052	1.7
79.05482	25.9
81.07047	26.4
83.04958	3.4
83.08595	6.3
85.06523	2.6
86.09692	1.7
87.08115	1.2
91.05467	34.1
93.07042	24.7
95.04955	8.2
95.08029	1.3
95.08594	17.9
97.06533	9.9
97.10143	3.4
98.22919	7.0
98.98440	1.4
99.08047	2.2
103.05439	1.6
105.07016	40.6
107.04967	1.6
107.08585	17.1
109.06501	18.5
109.10147	10.4
111.08056	3.4
117.06994	9.5
118.07811	1.2
119.07748	1.9
119.08566	28.4
121.06481	9.9
121.10133	14.1
123.08052	13.6
123.11674	2.0
125.09596	3.1
129.06992	1.4
131.08551	12.5
133.10107	20.5
135.08041	8.8
135.11665	4.6
136.08781	2.2
137.09589	9.0
139.11119	1.9
143.08524	2.4
145.10121	8.8
147.07953	1.8
147.11661	17.8
148.11922	1.3
149.09590	6.0
149.13293	1.5
151.11168	17.1
157.10133	2.2
159.08006	2.1
159.11697	8.6
161.09560	1.8
161.13217	3.4
163.07474	1.4
163.11183	13.0
165.12759	9.4
169.10089	3.3
171.11673	3.4
173.13255	3.2
175.14792	2.0
177.12730	4.1
179.14284	4.6
183.11639	1.8
185.13271	1.7
187.14711	1.9
189.12799	1.2
197.13269	3.5
201.12518	1.3
215.14394	1.4
229.19467	7.6
233.15341	3.2
239.17958	11.3
247.20512	5.1
249.18471	1.4
257.18945	11.0
261.02988	2.7
275.20044	46.4
276.20419	2.9
283.96283	1.2
289.18112	2.5
289.21378	1.8
307.09512	2.8
307.18863	7.9
307.22610	100.0
308.22931	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	308.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87450	1.6
69.03421	3.6
69.60204	4.0
70.08080	1.7
81.03397	6.3
82.01434	3.1
84.02983	9.4
84.04477	2.8
84.08148	1.6
98.23356	3.3
99.04452	2.1
100.02480	17.5
101.00855	2.9
101.05598	2.8
102.00962	4.1
102.04028	38.9
104.01976	2.7
114.04037	1.8
118.03500	56.3
118.04359	2.8
119.01903	8.6
120.01980	14.0
120.05074	13.1
121.01657	4.9
126.04015	2.9
130.03487	4.7
132.02095	2.1
132.05032	10.2
136.04533	38.9
137.02934	2.1
138.03061	2.4
139.03833	2.5
140.02806	1.7
140.04160	4.2
141.05063	38.4
142.03455	3.8
143.01912	3.0
143.06648	33.5
144.02043	7.3
144.05037	7.4
145.01613	2.9
148.04536	2.3
150.06102	8.1
153.01672	2.0
155.25266	1.7
157.98022	1.5
159.06125	41.2
160.04526	3.0
161.02956	9.7
161.07698	68.1
162.03050	21.5
162.06082	2.4
162.07739	1.7
163.02612	3.6
169.04552	3.4
174.03098	6.4
177.00749	1.8
183.06117	1.7
187.05614	100.0
188.01071	1.8
188.05753	6.3
191.03998	1.9
192.04160	2.7
204.04289	3.5
205.06667	84.8
206.02196	5.2
206.06851	2.9
222.05309	2.8
224.07526	2.0
239.08749	37.7
240.06642	1.8
240.08990	2.5
248.03157	4.7
249.07141	3.1
257.09723	4.8
262.03262	7.7
263.02859	3.5
264.06299	3.8
267.08243	40.0
268.08636	3.4
285.09265	28.8
308.05325	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.2
57.03434	0.3
58.06588	0.5
59.04992	0.2
61.02916	0.8
63.14347	0.1
69.03417	1.4
73.02918	0.2
77.97394	0.2
81.03398	0.7
84.04477	1.0
84.07672	0.3
84.08138	5.0
85.02901	3.6
85.04823	0.3
85.08460	2.1
86.06046	0.3
87.04477	0.2
88.03948	0.2
91.03939	0.3
91.05476	0.3
97.02870	1.0
109.02833	0.3
127.03913	0.5
137.07977	0.2
142.14235	0.3
145.04929	0.6
146.05994	100.0
147.06352	2.9
163.03928	0.4
169.13437	0.2
170.13589	0.2
184.14420	0.2
191.08989	0.2
215.13921	0.7
216.14215	1.6
220.83498	0.2
221.15312	0.2
233.09935	0.2
237.13028	0.7
242.19278	0.2
243.17004	0.5
244.17365	2.6
255.01811	0.2
265.12601	0.4
276.14172	0.5
280.17429	0.2
308.11230	2.1
308.16864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83246	0.8
53.03936	1.5
55.01873	0.9
55.05509	7.5
56.96561	1.3
61.02900	1.8
65.03938	1.8
67.05499	1.6
69.03419	7.6
70.27271	1.4
71.95074	0.8
72.08147	3.5
76.02234	2.2
76.27235	0.8
81.03408	3.0
83.04976	30.3
84.04513	1.2
85.02893	12.0
87.04485	0.9
95.04958	5.3
97.02901	3.2
97.73405	0.8
98.97573	1.2
99.04485	1.3
100.07634	1.3
109.02866	6.9
111.04434	100.0
112.04776	1.8
121.58054	0.7
123.04430	0.9
123.99267	0.9
127.03921	2.5
128.07043	1.0
128.98592	1.1
135.04381	1.1
139.03914	4.8
140.04193	2.5
145.04948	2.8
146.06012	6.0
146.08116	2.3
163.03894	5.5
169.04916	1.9
177.05501	1.1
179.04855	0.9
195.49474	0.9
198.14227	0.9
216.06511	1.0
216.43108	0.8
220.04518	0.9
220.09717	3.9
229.84663	1.0
255.08609	2.1
273.02811	1.2
291.16980	1.5
308.19705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.02377	0.4
55.05509	1.2
57.07043	0.7
58.88419	0.3
66.51034	0.3
67.05489	1.4
69.07056	1.8
69.18616	1.8
71.08611	1.6
71.52318	0.4
73.35190	0.3
78.76866	0.3
79.05479	1.6
81.07053	3.9
83.45655	0.4
91.05447	1.3
93.07028	1.4
94.04196	2.5
95.04948	1.2
95.08639	1.7
99.08095	0.8
107.04934	0.4
107.08586	0.7
109.06509	1.7
109.10162	0.7
114.09125	0.4
119.08556	0.9
122.03633	7.8
123.08018	0.4
125.54981	0.3
131.61995	0.4
133.10161	0.5
137.05965	100.0
137.13228	0.6
137.80037	0.3
138.06317	2.5
165.12741	1.4
169.10208	0.3
172.16980	1.4
184.16975	2.1
193.15787	0.4
235.16847	0.6
291.23151	6.3
308.26196	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01846	1.0
56.96559	4.3
67.01886	0.9
67.05487	2.9
68.99765	1.9
69.03422	3.5
69.41063	0.9
69.41382	3.6
79.05479	1.0
81.03410	3.2
81.07059	1.7
83.04990	2.4
84.96037	1.3
85.02892	3.1
91.05473	3.4
93.07033	1.2
95.08599	2.1
97.02850	1.5
97.96780	1.5
98.97556	8.4
99.08081	1.0
105.07021	2.8
109.02861	3.0
109.10149	2.8
110.97573	2.3
111.04442	1.2
111.82591	0.8
116.98597	3.9
117.07032	1.2
119.08600	1.4
121.64266	0.8
128.98636	3.1
131.04904	0.9
133.06474	1.8
134.99649	1.3
135.08003	1.2
137.05933	0.9
137.09590	2.2
143.00136	1.2
146.99622	2.1
147.04402	5.6
153.01807	9.6
158.99637	1.1
161.01207	1.0
161.05997	1.9
162.80585	0.9
163.03943	1.3
165.09102	1.1
166.08635	1.4
170.99699	1.0
177.00697	1.3
189.05342	2.2
191.08180	3.7
193.04955	2.0
195.02910	3.3
206.07301	1.1
207.03325	1.9
217.04944	9.3
219.01797	3.0
219.06247	5.1
221.04384	4.3
225.04343	1.7
234.06697	1.0
234.08598	25.4
235.09209	1.0
237.02687	4.6
245.04507	3.8
249.09169	1.8
263.05237	1.5
277.08609	3.4
278.11340	1.8
279.12042	0.9
281.11676	1.0
291.04941	5.2
291.13171	1.4
309.05997	3.4
309.13077	100.0
310.13208	3.7
327.07465	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	309.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41199	0.8
55.05498	2.8
61.83391	1.0
67.05504	1.8
69.07061	1.3
69.73634	3.0
76.88426	0.8
79.05490	4.6
81.07047	1.0
83.04938	0.8
91.05470	2.2
93.07027	4.7
95.04951	1.9
97.10158	2.5
98.23474	1.0
105.07044	1.2
107.08576	1.6
108.25623	0.8
109.10126	1.1
121.10116	1.3
125.09628	1.0
149.31085	0.8
197.61273	0.9
206.07190	1.0
234.06725	1.7
235.07629	1.5
249.09064	2.8
259.70084	0.8
273.18335	1.2
277.08600	3.7
278.09222	0.9
279.90155	0.9
281.11713	3.9
294.08804	1.1
304.37103	0.9
309.11557	7.2
309.16705	100.0
310.16946	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	309.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70950	0.5
51.67415	0.5
53.03942	0.7
55.05499	2.0
57.03436	1.1
67.02799	0.5
67.05494	4.5
69.07076	1.3
79.05490	4.0
81.03392	1.4
81.07047	5.8
82.98564	0.6
83.04949	0.6
83.08601	1.2
85.02890	0.6
91.05485	2.7
93.06632	0.5
93.07053	5.2
95.04960	1.8
95.08612	2.7
97.06534	1.0
97.10160	1.5
105.07021	1.7
107.08582	2.8
109.02855	0.8
109.10140	2.0
112.64568	0.5
117.07041	0.7
119.08567	2.3
121.10136	1.7
123.08009	0.6
129.06982	0.7
131.08568	0.9
133.00143	0.5
133.10129	1.2
135.08015	0.7
136.73053	0.5
137.09575	1.7
147.11717	0.7
165.09071	0.9
214.99188	0.6
273.18597	0.8
291.19540	1.3
309.16696	100.0
310.17053	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	Albocycline
Peak:m/z	Relative Intensity
52.27704	7.4
53.03948	13.0
55.05512	21.1
57.03427	12.8
57.14342	7.2
60.46649	7.8
67.05495	54.0
69.03421	8.1
69.07056	9.5
79.05493	37.8
81.03419	28.3
81.07058	86.3
83.04974	14.2
83.08606	11.0
85.06540	11.1
91.05499	16.2
93.07057	36.0
95.05003	8.3
95.08606	36.3
99.77464	7.5
105.07034	20.6
107.04955	13.7
107.08572	19.9
109.06514	42.9
109.10166	14.6
111.04447	32.2
111.08104	15.4
117.07030	17.5
119.08578	25.9
121.06445	10.2
121.10163	9.4
123.08097	18.6
131.08614	17.1
131.48012	9.1
135.08060	21.2
135.11652	17.2
145.10159	17.6
147.08049	15.0
149.09634	9.1
217.15883	10.3
221.81541	7.6
273.18579	28.2
288.09998	9.7
291.19534	100.0
309.20325	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.5
55.01867	19.0
55.05501	34.1
57.03429	5.5
57.07065	3.2
58.69085	2.2
64.30833	2.5
65.03947	4.4
67.05497	74.1
68.05829	2.8
69.03411	7.1
69.07058	25.3
69.30371	14.9
71.04983	11.7
75.44226	2.5
79.05481	44.5
81.03403	6.1
81.07048	86.7
83.04965	11.1
83.08607	8.4
85.06538	7.5
91.05466	54.0
93.07030	45.8
95.04951	16.4
95.08590	25.7
97.06509	8.1
97.10175	4.1
98.23276	8.8
99.04453	3.9
105.07024	46.3
107.04922	3.8
107.08585	45.5
109.06499	9.9
109.10142	78.8
111.04458	5.7
111.08067	9.1
113.05997	4.7
116.98701	2.5
117.06960	3.1
119.08548	19.3
121.06489	9.2
121.10124	9.3
123.04420	2.7
123.08078	5.6
123.11672	12.3
125.02309	2.5
126.23022	2.5
127.07539	6.3
127.42345	2.3
127.81058	2.9
129.07011	4.4
131.08539	12.2
133.06487	6.9
133.10109	100.0
135.08044	7.9
135.11678	8.3
137.09619	5.2
139.07536	6.3
143.08566	6.9
145.10107	10.7
147.08020	8.6
147.11703	4.8
149.09578	7.7
151.11160	54.6
157.10150	3.9
159.11626	4.5
161.09610	12.9
161.13210	4.1
163.11194	4.7
169.12178	15.2
171.11639	5.3
175.11215	4.1
181.08589	4.2
191.10611	4.2
193.12210	4.1
215.12752	4.9
245.18976	13.2
252.28687	2.9
255.17372	3.5
263.02927	2.7
263.20056	11.9
273.18497	28.1
291.19473	41.3
309.20413	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01867	17.6
55.05507	37.9
57.03413	5.6
61.15361	3.2
67.05500	82.7
69.03419	4.3
69.07053	27.1
70.72942	2.9
71.04978	9.9
75.36478	3.0
79.05476	56.8
81.03407	6.8
81.07046	100.0
83.04971	17.9
83.08617	10.4
85.02864	3.8
85.06546	8.5
90.20361	3.5
91.05470	62.2
93.07037	55.2
95.04966	15.1
95.08591	53.8
97.06527	9.7
97.10151	3.6
98.23091	23.5
99.04463	3.9
105.07018	54.9
107.04941	10.0
107.08583	47.1
109.06520	14.7
109.10146	67.8
110.10460	3.2
111.04404	9.1
111.08060	10.2
117.06999	12.4
119.08569	16.4
121.06506	16.5
121.10152	13.2
123.04441	4.2
123.08058	6.4
123.11699	13.7
125.05919	4.8
125.09623	3.1
127.07532	4.1
128.06226	3.3
131.08565	18.1
133.06487	12.8
133.10110	74.3
135.08038	13.0
135.11693	11.2
137.05965	4.3
137.09645	4.4
139.07524	7.5
143.08530	4.8
145.10130	12.9
147.08006	7.8
147.11681	7.8
149.09608	14.2
151.11157	52.7
151.12282	5.0
157.10139	4.8
159.11630	4.7
161.09634	12.9
161.13258	7.7
163.11200	3.8
165.12750	4.8
165.61467	2.8
167.96143	3.3
169.12207	10.0
171.11693	6.2
175.11089	8.3
179.14255	4.5
181.08630	4.7
185.13351	4.2
189.12685	5.0
193.12341	4.2
209.11508	3.3
215.12730	4.4
221.63028	3.6
235.13162	4.2
245.18932	13.6
255.17375	5.1
263.20096	23.7
273.18475	40.1
291.19504	80.0
291.22635	5.4
292.20190	3.7
309.20517	15.4
309.23578	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	3.8
55.01868	18.8
55.05506	67.5
57.03430	7.1
59.04993	1.9
65.03947	3.8
67.05119	1.7
67.05180	0.9
67.05498	49.6
69.03427	8.3
69.07060	29.1
69.37644	9.6
71.04980	5.2
79.05482	54.4
81.03400	19.2
81.07050	100.0
83.04970	21.9
83.08610	31.0
85.02896	2.9
85.06568	3.3
88.38924	1.9
91.05481	22.1
93.07046	29.6
95.04955	21.0
95.08607	29.7
97.06526	11.9
97.10159	47.9
97.63116	1.9
98.22749	2.8
99.04479	3.0
99.08063	3.8
105.07027	23.8
107.04962	5.5
107.08589	30.5
109.02904	2.1
109.06516	10.2
109.10144	15.1
111.04427	18.1
111.08076	8.1
113.06006	2.6
117.06985	10.2
119.08576	20.2
121.06477	4.0
121.10114	10.8
123.04430	2.6
123.08062	43.1
123.08905	3.4
123.11700	2.6
125.09617	33.4
129.07013	6.6
131.08574	10.6
133.10132	7.5
135.08032	7.0
135.11696	11.9
137.09602	12.3
143.08504	3.6
145.10120	11.7
147.08038	7.6
147.11703	5.9
149.09598	6.0
153.09113	3.9
153.12796	3.0
157.10123	4.9
159.11682	3.3
159.93639	2.0
161.09627	3.6
163.11179	31.4
165.09132	11.0
175.11201	7.4
177.12709	3.1
181.12238	10.7
189.11203	31.7
189.12799	3.7
191.10645	5.5
193.12228	14.1
195.11682	2.4
211.13367	5.2
223.13222	6.5
227.12773	6.8
235.13477	2.5
245.19093	2.2
255.17453	3.2
263.20032	4.0
273.18463	20.6
291.19537	65.6
292.19897	2.3
309.17136	3.6
309.20627	15.6
309.79031	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01867	4.7
55.05510	6.3
57.03437	23.9
65.94600	3.5
67.05502	34.0
69.03407	4.6
69.07063	10.2
78.27287	3.5
79.05481	16.5
81.07069	21.3
85.06536	33.7
91.05476	16.0
92.25838	3.9
92.26983	3.7
93.07041	16.4
95.04963	32.4
95.08604	13.5
97.10191	4.4
98.22675	8.7
98.23359	23.2
100.00827	3.9
105.07024	16.2
107.04965	6.0
107.08585	13.2
109.06509	40.2
113.06000	100.0
119.08562	9.1
121.10102	6.5
131.08556	11.8
135.08044	34.7
145.10121	5.0
157.10078	4.7
159.11647	4.8
161.09654	5.0
163.11188	5.3
206.07149	4.7
210.68730	3.8
217.15901	13.4
217.36360	3.8
223.07596	4.7
229.26347	4.4
234.06783	14.2
238.02495	3.5
249.09161	11.4
251.06644	4.0
273.18478	17.1
277.08606	37.0
278.09097	7.0
281.11591	4.5
291.19522	50.3
294.08600	9.6
309.11267	35.1
309.20343	6.8
310.11581	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.64940	1.2
52.58022	1.0
53.03938	3.1
53.53003	1.1
55.01871	9.5
55.05508	38.3
55.58307	1.1
57.03437	7.3
57.07063	7.8
59.04991	2.0
65.03912	1.3
67.05498	57.0
69.03419	4.2
69.07059	31.4
69.14042	1.9
69.14449	6.3
71.04977	5.4
71.08627	18.0
73.06568	1.3
77.03903	1.4
79.05484	46.5
81.03407	6.1
81.07049	64.4
83.04971	16.2
83.08610	15.3
83.44262	1.3
85.06524	6.8
85.10165	2.0
91.05473	36.3
93.07034	60.4
95.04961	29.3
95.08599	42.8
97.06519	13.5
97.10155	9.3
99.08084	12.3
103.05459	1.3
105.04510	2.5
105.07021	27.7
105.97314	1.3
107.04941	3.5
107.08583	25.2
109.06507	7.4
109.10140	19.4
111.08074	8.3
117.07011	5.1
119.08576	18.0
121.06470	3.5
121.10130	19.9
123.08069	8.3
123.11723	7.1
124.39679	1.5
125.09634	3.7
128.06300	1.3
129.06966	5.6
131.08553	9.0
133.10112	22.1
135.08025	1.3
135.11656	11.6
137.09590	3.0
137.13234	3.5
139.11153	9.8
143.08530	4.0
145.10130	7.9
147.08034	2.5
147.11679	14.9
149.09622	2.3
149.13245	9.1
151.11153	11.9
151.14786	1.3
153.12724	3.2
157.10141	7.5
159.11670	3.9
161.09564	1.5
161.12093	1.5
161.13190	8.1
163.11154	5.7
163.14835	4.5
165.12729	5.5
171.11693	3.7
173.13240	3.5
175.11176	4.8
175.14757	8.4
177.12689	2.4
179.14337	6.2
185.13235	3.6
189.12778	2.2
191.17932	1.9
193.12212	4.8
193.15880	2.1
195.13852	1.3
203.14268	2.8
207.13773	3.8
217.19536	2.0
221.15280	6.2
231.21143	2.3
233.19058	1.3
235.16920	1.5
241.19562	6.6
249.22124	4.0
259.20544	9.1
277.21603	100.0
278.21909	7.3
291.23163	4.5
295.22760	4.3
309.24246	26.8
328.23093	1.4
331.91037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05512	22.2
55.64535	4.7
57.07070	6.2
57.93931	4.9
63.07550	4.9
64.52224	5.2
67.05499	45.3
69.07066	22.9
69.16728	10.7
69.17141	19.6
71.08627	56.6
73.75857	4.4
79.05485	43.6
81.03431	7.9
81.07049	38.0
83.04984	17.4
83.08607	8.3
85.06541	7.3
88.62499	5.7
91.05468	27.2
93.07037	66.4
95.04972	5.8
95.08611	36.6
97.06547	12.8
97.29089	5.3
99.08078	44.8
105.07053	15.1
107.04972	7.6
107.08572	31.4
109.10149	17.2
119.08582	12.7
121.10138	29.1
131.08641	4.8
133.10136	14.4
135.11676	35.5
135.12630	4.5
145.10168	6.2
147.11743	5.0
149.13280	6.8
149.22255	4.2
151.11177	17.5
161.13239	10.0
163.11147	7.1
179.14304	100.0
198.89034	5.2
259.20538	6.9
263.94122	5.0
277.21640	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1469
Annotation	SB 218655
Peak:m/z	Relative Intensity
53.03936	0.6
55.01852	0.7
55.05503	5.5
57.07085	0.6
58.99583	3.1
65.03931	0.6
67.05508	1.2
69.03409	2.0
69.07055	1.4
70.02625	0.4
70.02959	4.8
70.14621	0.4
73.06571	0.5
74.00635	1.0
76.02200	1.2
77.03542	0.5
79.05476	2.2
81.03412	1.0
81.07045	2.3
83.04969	8.7
83.08610	0.5
84.08138	1.0
85.01118	0.8
86.99023	1.1
88.03980	39.9
91.05460	4.0
93.07037	3.4
95.04955	1.1
95.08598	1.8
97.01081	0.6
99.02657	0.8
100.02164	1.4
103.05455	0.9
105.07018	22.5
106.07801	1.0
107.04971	0.8
107.08579	8.8
108.08107	2.8
109.02866	0.7
109.06495	0.7
111.02646	4.8
113.04170	0.5
114.05548	0.5
117.03355	1.5
117.07039	1.5
119.08563	14.3
120.01137	2.0
120.08102	0.6
121.06480	0.9
121.08887	1.0
121.10124	4.1
122.02706	1.5
122.07281	0.6
122.09653	2.4
123.02615	0.7
123.08008	0.6
124.07566	1.1
125.04211	7.0
126.03722	0.9
131.08568	2.5
133.06503	3.3
133.10120	5.7
134.09653	0.8
135.04433	1.3
135.11681	0.7
137.04182	27.0
138.09148	2.8
139.05746	19.2
140.05287	2.5
141.07344	0.7
144.09351	1.5
145.02840	0.6
145.10123	3.9
146.02707	0.6
147.04436	0.7
147.08014	1.5
147.11658	16.7
148.07541	0.6
149.04210	1.1
149.05981	0.9
149.08374	0.6
149.09589	0.7
149.13196	0.8
150.09134	1.6
151.05783	1.6
155.05249	0.6
156.09341	0.9
159.08037	1.1
159.11676	9.5
160.12418	1.1
161.09579	4.2
161.13232	12.3
163.03906	3.9
163.05786	3.1
164.06558	0.8
165.03712	1.3
165.07318	2.9
165.12709	1.1
166.06972	4.4
166.08577	5.5
167.05228	2.8
170.08122	0.8
171.11676	1.1
172.04306	1.1
173.09595	1.2
174.10382	1.7
175.11183	1.0
177.07278	0.6
179.08891	5.8
180.06635	0.7
180.08408	1.6
181.10426	11.6
187.11162	6.9
188.11925	1.8
189.05420	0.6
189.12729	22.5
190.12175	0.8
191.14290	5.7
193.10435	4.5
195.04729	0.8
205.10423	2.1
205.14627	3.8
206.10036	0.5
206.15335	2.5
208.07916	2.2
209.06290	1.4
212.07356	11.4
219.02763	1.5
221.08029	0.5
221.09906	13.7
223.11481	33.7
224.11708	1.2
226.08958	7.5
228.10454	0.7
235.07892	1.0
244.13336	1.1
247.11473	1.7
251.10974	1.8
252.10446	4.7
253.11140	1.1
254.08600	0.8
262.51675	0.5
262.54507	0.6
264.14175	2.5
275.10913	0.6
279.10059	0.8
292.13663	1.6
293.02960	1.9
293.11954	4.9
310.14667	100.0
311.05261	0.6
311.15024	6.5
313.63052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88981	0.4
55.05503	2.5
55.99722	0.3
57.07074	0.9
67.05494	2.4
69.07058	1.6
70.06587	10.1
71.41808	0.4
79.05498	3.4
80.04990	0.6
81.07056	4.0
82.06577	0.6
83.07360	2.1
83.08603	0.7
84.48757	0.4
89.75813	0.3
91.05483	3.6
93.07027	2.5
94.06586	0.6
95.04974	0.6
95.08578	1.1
96.08128	2.4
105.07011	5.2
107.08604	1.9
108.08083	1.1
109.08923	0.6
110.09673	0.9
111.04426	0.5
115.05452	0.6
117.06998	2.5
118.06487	0.4
119.08566	5.6
120.08074	1.4
121.10101	0.6
122.09669	10.4
128.06210	2.0
129.06992	11.1
130.07796	0.5
131.08551	4.9
132.79457	0.5
133.09190	0.4
133.10077	2.3
134.09647	1.0
136.11188	1.7
137.11972	3.4
141.07002	1.2
142.07814	2.6
143.08540	6.9
144.09373	0.8
145.10106	3.9
146.09641	1.5
147.11632	0.5
148.11195	1.3
150.12767	0.8
153.05414	0.6
155.08553	1.5
156.09259	0.7
157.08873	0.9
157.10103	8.4
158.09659	0.8
158.10864	0.6
160.11209	0.6
161.11940	0.7
161.13165	0.5
162.12828	0.4
168.77835	0.4
169.10153	0.9
170.09586	1.1
170.10886	0.5
171.11668	3.0
172.11215	1.0
172.12521	0.7
173.11897	0.7
173.13252	5.2
174.12744	3.1
177.17931	0.4
181.10185	0.4
183.11693	0.6
184.11194	1.2
185.13271	1.6
186.12738	6.0
187.13484	1.4
188.14322	1.3
190.15800	0.5
196.11142	0.4
197.13405	0.5
198.12761	1.9
199.13358	0.5
199.14850	2.8
200.14264	0.8
209.11763	1.4
210.12674	0.7
212.14342	3.9
213.15091	0.5
215.67700	0.5
224.14377	2.4
225.15053	0.7
226.12177	0.4
226.15862	4.4
228.17448	1.7
229.18159	0.5
237.11234	1.0
238.15877	1.7
240.17444	5.1
241.17892	1.9
242.18970	0.6
252.17467	3.6
254.19119	1.9
255.19623	0.5
266.19092	2.5
267.19620	0.5
280.20584	4.2
281.21277	1.2
282.21838	0.4
287.34424	0.4
294.22220	0.5
308.23697	1.2
310.25256	100.0
311.25623	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	310.2526
Annotation	Holaromine
Peak:m/z	Relative Intensity
55.05495	1.7
57.07063	1.3
62.01252	0.4
67.05504	3.3
69.07065	2.2
69.35377	2.0
70.06587	6.0
71.01334	0.4
73.11058	0.4
79.05487	5.7
81.07057	4.0
83.07350	2.1
91.05472	7.1
93.07021	5.6
94.06560	0.8
95.04987	0.9
95.08604	1.5
96.08118	3.2
97.10134	0.4
103.05453	0.5
105.07024	7.5
107.08596	2.5
108.08107	0.9
111.04439	0.7
111.32303	0.5
117.07014	3.9
118.06510	1.1
119.08570	6.1
120.08097	1.7
121.10145	0.9
122.09649	7.0
128.06245	1.0
129.07010	5.8
130.07780	1.0
131.08548	6.4
133.10121	2.0
134.09630	1.4
136.11206	1.7
137.11964	1.9
138.12828	0.4
141.07018	0.8
142.07782	1.2
143.08554	5.0
143.22803	0.4
144.09358	1.3
144.62209	0.5
145.10107	4.8
146.09645	2.5
147.11681	0.7
148.11180	1.2
149.13229	0.9
150.12761	0.8
153.05414	0.6
155.08571	0.8
156.09349	0.5
157.08954	0.8
157.10120	5.3
158.09639	1.1
158.10858	0.6
159.10393	0.9
159.11684	1.2
160.11223	1.5
160.55948	0.4
161.13245	1.9
162.12788	1.2
169.08771	0.5
169.10139	0.9
170.09688	1.1
171.11700	2.1
172.11218	1.0
173.11958	0.6
173.13254	5.5
174.12750	4.6
175.13489	0.6
175.14841	1.0
175.95477	0.4
183.11751	1.0
184.11227	0.8
185.11848	0.7
185.13243	1.4
186.12750	8.1
186.78061	0.5
187.13393	0.6
188.14250	1.3
189.15057	0.4
190.15930	0.8
195.11722	0.4
196.11139	0.7
196.56839	0.4
197.13341	0.4
198.12791	1.3
199.14798	1.2
200.14320	0.9
209.11740	3.6
212.14317	3.7
213.15103	0.7
214.15843	0.6
224.14336	1.3
226.15883	4.4
227.17995	0.8
228.17491	1.9
229.18306	0.6
237.11131	3.0
238.15836	1.3
240.17467	5.3
241.17935	2.1
242.18710	0.5
252.17448	2.9
253.18135	0.7
254.19057	2.2
255.12146	0.5
266.19153	1.2
280.20581	3.0
281.21310	1.0
282.21976	0.5
308.23642	1.1
310.25253	100.0
311.25583	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	311.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.9
67.00004	0.9
67.25076	1.0
69.03422	3.1
69.07053	2.7
70.06609	1.5
70.57886	1.1
72.08159	1.0
81.03400	1.8
83.70013	1.1
84.08105	1.6
85.02901	2.3
95.04960	2.7
97.02880	2.3
105.03379	6.0
131.04941	1.1
136.27644	0.9
137.05942	7.5
140.07082	1.0
141.06822	0.9
149.02092	26.7
151.07513	1.3
163.07512	1.4
168.06509	1.1
169.78232	0.9
179.07109	1.3
182.08098	2.6
185.04257	8.1
203.06984	1.1
208.82382	1.0
210.07620	2.4
239.63275	1.0
311.07346	100.0
312.07690	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98167	1.9
53.03934	6.0
55.01864	4.5
55.05495	2.7
56.96564	6.0
57.03432	14.2
58.65246	1.9
61.02931	4.9
61.99934	2.2
69.03423	67.8
70.69366	3.8
71.01353	4.9
71.04973	4.3
73.02911	9.0
75.77232	2.2
79.05482	6.7
81.03406	21.9
83.04986	3.4
85.02893	29.3
87.04461	3.4
91.05480	9.8
94.04189	2.4
95.04963	3.7
97.02881	41.3
98.97582	2.8
99.04455	6.7
103.03931	5.9
103.05445	11.3
105.03391	3.5
107.04925	10.9
109.02893	5.2
109.06561	2.5
111.04430	6.1
115.03905	5.3
115.05443	10.5
117.07033	5.4
119.04917	15.6
121.06516	6.8
122.03659	9.0
127.03903	36.1
129.05492	9.2
131.04898	22.7
133.02809	4.3
135.04399	8.2
137.05956	100.0
141.06976	15.4
143.04906	5.8
145.04955	5.6
145.06494	8.3
146.03580	2.7
147.04402	17.0
149.02129	4.0
149.05960	34.1
151.03886	7.3
151.07542	10.1
155.04863	2.6
159.04434	9.5
160.05188	7.9
161.05971	9.0
162.03091	3.4
163.03847	2.6
163.07509	16.7
164.04710	4.3
167.07045	11.7
169.06497	11.5
172.05165	2.4
173.06020	5.0
175.04016	2.5
175.07544	13.6
176.04678	6.1
177.05460	39.8
177.09076	4.1
179.07025	12.7
183.04472	4.0
185.04283	3.3
187.07571	7.7
189.05438	4.0
191.07013	39.8
196.05173	2.1
197.05896	11.5
200.04601	4.0
201.05409	2.9
201.09050	4.2
203.07039	14.1
205.08585	3.0
207.06480	3.8
215.06970	15.6
217.08655	3.0
221.08139	6.7
229.08559	25.4
233.08119	8.3
245.08041	2.1
247.09671	4.0
257.08112	13.6
275.09058	7.8
293.10257	12.5
311.07315	26.4
311.11237	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	311.1277
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03936	2.4
55.01859	2.5
55.05503	1.4
57.03416	1.7
65.03904	1.3
67.05484	1.5
69.03419	5.0
69.97752	2.9
79.05482	8.9
81.03402	5.8
81.07039	3.7
85.02889	4.0
91.05467	10.5
93.07037	22.1
94.04180	4.5
95.04945	4.1
95.08630	1.4
97.02849	1.2
98.23098	2.5
99.04454	1.4
103.05441	4.5
105.04498	1.3
105.07018	11.9
107.04922	2.0
107.08580	5.9
109.02867	1.8
109.06503	6.1
109.10158	1.3
111.08035	1.7
115.05457	4.0
115.40865	0.9
116.06215	1.7
119.08577	4.9
121.06489	3.1
121.10136	19.4
122.03636	12.1
123.08042	1.0
127.03888	1.9
128.06194	2.0
129.07019	5.3
131.04913	2.4
131.08557	3.0
133.06526	7.9
137.05962	100.0
138.06310	2.0
143.06053	1.4
144.05681	2.6
145.06477	3.0
146.03685	1.0
147.08047	2.2
149.05956	8.9
149.09598	6.0
151.07501	1.8
155.04880	6.1
159.08046	9.4
161.05965	17.5
165.06992	3.8
167.10686	1.3
172.05199	2.9
175.07523	4.8
179.08527	1.7
180.09337	1.7
180.74417	1.1
187.07512	28.1
188.08003	1.4
189.06993	5.6
189.08975	1.7
190.07739	22.3
191.08531	46.7
192.08978	1.5
195.07928	1.3
201.06975	1.7
202.07825	1.7
203.08582	1.2
205.06508	2.1
207.08026	5.9
208.08746	5.9
218.07234	15.1
219.08029	61.9
220.08740	7.7
221.05997	2.8
223.11148	1.8
225.09036	2.0
229.07613	1.2
233.09618	2.1
235.07460	6.6
236.08293	14.1
237.08957	3.1
246.06697	2.8
247.07515	27.8
248.08205	5.7
249.05437	1.1
249.09090	1.2
250.09863	1.4
251.10652	79.8
252.10956	4.0
253.08606	7.3
261.09061	3.8
263.06949	1.8
264.07822	9.2
265.08591	5.6
267.10150	2.6
268.10941	2.3
278.09494	1.1
279.10126	59.7
280.10757	6.6
281.08124	9.9
283.13226	2.8
293.14087	1.5
295.09641	1.9
296.10349	11.0
311.12698	78.3
312.12991	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
58.56754	0.5
69.03433	1.1
69.07072	0.6
69.53889	1.0
69.54270	1.8
79.05473	2.3
81.03403	1.5
81.07066	0.7
83.04964	0.5
85.02887	0.9
87.00791	0.6
91.05482	1.5
92.25837	0.5
93.07037	5.0
95.05001	0.5
95.24396	0.5
97.06520	0.5
98.22790	1.1
98.23379	1.0
103.05505	0.5
103.32049	0.4
105.07018	1.3
107.05019	0.8
107.05901	0.5
107.08633	0.8
109.02877	0.7
109.10192	0.5
115.84938	0.4
121.06524	0.7
121.10104	3.7
131.03419	0.8
131.04877	0.5
131.08524	0.6
133.06497	0.5
137.05951	6.4
145.02881	0.6
145.06496	0.6
146.03195	0.7
149.05986	1.0
149.09624	1.9
161.05989	2.3
161.09657	0.6
164.67635	0.5
167.03416	1.5
177.05508	1.3
178.05792	1.2
181.05095	0.5
187.07568	1.3
189.09094	0.8
191.08574	1.8
207.10194	1.0
219.08055	1.5
223.09462	1.8
236.08202	0.8
247.07561	1.0
251.10649	2.8
253.08751	0.6
258.58179	0.5
264.07864	0.8
279.10138	3.4
293.03961	0.5
293.18643	0.8
296.10413	0.8
311.14691	100.0
311.17871	4.5
312.15070	4.0
328.45172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
55.75825	0.5
69.03443	1.0
70.02978	0.6
70.09003	1.3
79.05498	1.7
81.03424	2.0
81.07040	1.3
85.02924	0.8
88.03996	7.0
91.05481	1.3
93.07074	1.6
94.04176	1.2
95.04974	0.7
97.02963	0.5
107.04980	0.6
109.02887	0.9
109.06557	1.7
121.10173	0.8
122.03656	2.0
131.08652	0.6
137.05972	25.6
138.06349	0.8
144.05690	0.9
149.06059	0.8
149.09645	0.9
161.06079	0.9
167.03426	1.5
172.05217	1.3
175.07608	0.8
187.07506	7.3
188.08243	0.5
190.07718	0.7
191.08670	1.7
208.08864	0.8
219.08052	5.6
223.09430	1.1
225.05867	0.9
233.00879	2.1
235.07336	0.6
236.08371	2.0
240.07890	1.1
247.07671	2.0
251.01933	0.9
251.10649	4.3
253.08838	0.9
263.07065	0.6
264.07901	1.2
265.08597	1.0
267.15869	1.1
268.07428	1.4
270.08966	0.8
279.10095	7.2
281.08066	1.2
283.09540	3.5
296.10526	2.1
311.14755	100.0
312.09293	0.6
312.15219	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	311.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03933	3.8
53.66075	0.7
55.01870	2.1
55.05509	3.9
57.03435	3.5
59.05005	0.7
67.05505	1.9
69.03059	1.3
69.03421	18.7
69.07088	0.8
69.82877	1.0
69.83199	1.0
71.04986	1.8
73.02909	1.5
75.04469	1.1
77.03927	2.9
79.05483	36.6
81.03409	19.8
81.07046	4.5
85.02897	12.9
87.04469	1.6
91.05470	24.9
93.07034	100.0
94.07367	2.1
95.04952	8.2
95.08593	2.2
97.02872	6.2
99.04448	2.7
103.05470	5.5
105.04494	2.8
105.07018	17.0
106.04162	1.5
106.07796	1.2
107.04964	6.9
107.08578	21.2
109.02863	8.7
109.06498	2.7
111.08077	2.2
115.05425	3.6
116.06202	2.5
117.06991	1.6
119.08569	6.3
121.06492	5.0
121.10129	82.4
122.03645	1.1
122.07245	2.6
122.10468	1.5
123.08038	2.7
123.11666	0.9
125.06008	1.0
126.27024	0.7
127.03896	4.6
129.06952	2.0
131.04903	2.8
131.08549	12.3
133.07555	1.6
133.10109	1.8
135.08023	1.1
137.05960	6.0
139.11133	2.2
145.10124	1.1
147.08073	1.1
149.05927	1.3
149.09599	35.0
150.09897	1.2
161.05894	0.7
163.07492	2.3
165.06914	0.8
167.10687	4.3
173.09595	0.7
177.05464	0.8
179.06952	0.8
187.07512	1.8
190.07619	0.9
191.08530	1.1
194.07213	0.7
219.07918	2.1
226.93521	0.8
233.09596	1.3
235.07487	0.7
247.07491	1.3
251.10593	1.6
261.09000	1.3
265.08484	2.2
279.09921	2.1
283.12939	1.0
293.13980	5.6
296.10544	1.0
311.12579	28.6
312.12872	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03933	3.8
53.66075	0.7
55.01870	2.1
55.05509	3.9
57.03435	3.5
59.05005	0.7
67.05505	1.9
69.03059	1.3
69.03421	18.7
69.07088	0.8
69.82877	1.0
69.83199	1.0
71.04986	1.8
73.02909	1.5
75.04469	1.1
77.03927	2.9
79.05483	36.6
81.03409	19.8
81.07046	4.5
85.02897	12.9
87.04469	1.6
91.05470	24.9
93.07034	100.0
94.07367	2.1
95.04952	8.2
95.08593	2.2
97.02872	6.2
99.04448	2.7
103.05470	5.5
105.04494	2.8
105.07018	17.0
106.04162	1.5
106.07796	1.2
107.04964	6.9
107.08578	21.2
109.02863	8.7
109.06498	2.7
111.08077	2.2
115.05425	3.6
116.06202	2.5
117.06991	1.6
119.08569	6.3
121.06492	5.0
121.10129	82.4
122.03645	1.1
122.07245	2.6
122.10468	1.5
123.08038	2.7
123.11666	0.9
125.06008	1.0
126.27024	0.7
127.03896	4.6
129.06952	2.0
131.04903	2.8
131.08549	12.3
133.07555	1.6
133.10109	1.8
135.08023	1.1
137.05960	6.0
139.11133	2.2
145.10124	1.1
147.08073	1.1
149.05927	1.3
149.09599	35.0
150.09897	1.2
161.05894	0.7
163.07492	2.3
165.06914	0.8
167.10687	4.3
173.09595	0.7
177.05464	0.8
179.06952	0.8
187.07512	1.8
190.07619	0.9
191.08530	1.1
194.07213	0.7
219.07918	2.1
226.93521	0.8
233.09596	1.3
235.07487	0.7
247.07491	1.3
251.10593	1.6
261.09000	1.3
265.08484	2.2
279.09921	2.1
283.12939	1.0
293.13980	5.6
296.10544	1.0
311.12579	28.6
312.12872	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01850	2.6
55.05510	5.3
57.03412	4.1
59.04978	0.9
61.02901	2.2
65.03935	1.3
67.05499	4.2
69.03427	19.0
69.16045	5.0
71.01332	1.1
71.04958	1.4
73.02906	1.8
76.31758	0.9
77.03896	1.7
79.05485	38.5
81.02965	1.6
81.03411	20.8
81.07043	4.9
83.04964	1.0
85.02425	0.9
85.02893	14.1
87.04446	1.4
91.05474	26.5
93.07037	100.0
94.07346	1.8
95.04963	9.9
95.08579	4.7
97.02881	6.7
97.06506	1.2
99.04419	2.6
103.05448	7.0
105.03396	1.1
105.04478	3.6
105.06355	1.3
105.07015	17.6
106.04129	0.9
107.04939	7.0
107.08583	23.0
109.02874	6.2
109.06491	2.6
109.10116	1.7
111.08068	1.7
115.05400	2.7
116.06264	1.6
117.06993	2.2
119.04881	1.8
119.08566	8.2
121.06451	3.5
121.10135	78.2
122.07238	3.3
122.10474	1.5
123.08036	3.5
127.03865	4.1
129.06950	1.6
131.04910	6.3
131.08563	10.2
133.07565	1.4
133.10078	2.6
135.08044	1.6
137.05960	11.3
139.11189	1.3
145.10014	1.2
147.04420	4.4
149.05939	1.2
149.09608	30.0
150.09872	1.1
153.01794	1.2
153.11717	0.9
161.05902	1.5
163.07512	6.3
165.08932	1.0
167.03381	1.2
167.10643	4.4
177.05333	1.0
179.07069	1.1
191.06892	1.6
191.08501	1.9
191.10622	1.2
194.07144	1.1
205.10162	1.1
219.07983	1.6
222.06859	1.2
233.09561	1.8
246.98061	0.9
247.07484	1.2
250.06293	1.0
251.10588	3.5
265.08563	1.9
279.09991	2.4
293.13953	4.9
296.10226	1.0
311.12595	29.0
311.18338	3.5
312.13123	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02388	0.9
53.03943	3.5
55.01868	1.4
55.05510	4.2
57.03433	3.8
61.02917	1.0
65.03917	1.1
67.05505	3.0
69.03429	19.7
69.33231	0.6
69.90064	2.1
71.01334	0.9
71.04986	2.3
71.76891	0.6
73.02896	1.5
77.03931	2.5
79.05488	36.4
79.25076	0.6
80.06271	0.7
81.03413	21.6
81.07061	4.6
81.09994	0.6
83.04977	0.7
85.02896	13.0
87.04483	0.9
91.05478	23.6
93.07040	100.0
94.07370	2.2
95.04967	9.5
95.08596	3.0
97.02880	7.4
97.06525	1.2
98.23377	0.7
99.04446	3.9
100.11252	0.9
103.05474	1.3
105.04536	3.3
105.07022	13.6
107.04961	1.1
107.08591	23.8
108.08884	0.7
109.02868	9.7
109.06518	1.7
111.04429	0.8
111.08080	2.2
113.05968	0.6
116.06223	1.5
117.07025	1.2
119.08580	7.0
121.06520	3.6
121.10137	80.3
122.10507	2.2
123.08087	1.8
125.05957	0.9
127.03915	4.3
128.06145	0.7
129.06998	1.3
131.08554	11.2
132.08934	0.7
133.07619	1.4
133.10118	0.8
137.06015	2.8
139.11119	1.3
145.04973	1.8
145.06253	0.7
147.08018	0.7
149.09605	28.2
167.10664	5.2
190.07684	0.6
191.08560	1.0
219.08072	1.4
220.08751	0.6
247.07489	1.0
251.10606	2.2
279.10260	1.6
293.13773	6.7
311.12195	1.1
311.14944	2.8
311.19937	0.8
311.23203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03940	3.1
55.01867	1.4
55.05503	4.9
57.03434	5.0
58.40958	0.7
61.02913	0.8
65.03940	0.8
67.05505	3.8
69.03423	16.5
69.10834	1.2
69.11221	4.2
69.61511	0.6
71.04982	2.0
73.83551	0.6
75.04465	1.4
75.86354	0.6
77.03930	2.3
79.05482	36.8
81.03406	16.5
81.07047	5.3
85.02894	12.2
86.86644	0.6
87.04444	1.5
90.62157	0.6
91.05470	22.0
93.07034	100.0
94.07379	1.7
95.04957	11.2
95.08597	4.3
97.02886	6.8
97.06532	1.2
99.04440	3.0
103.05461	2.1
105.04507	2.5
105.07022	13.6
107.04976	1.3
107.08579	25.3
109.02882	6.9
109.06508	2.2
111.04430	1.6
111.08047	1.8
116.06225	1.9
119.08557	10.2
121.06465	3.1
121.10131	81.0
122.10458	1.2
123.08052	1.8
123.11702	1.4
125.05927	0.9
127.03917	5.2
129.06961	1.1
131.08548	8.5
133.05109	0.7
133.06474	0.8
133.10106	1.6
135.08034	0.8
137.05977	2.9
139.11169	1.0
145.10100	2.0
147.08069	0.9
149.09604	26.0
157.10097	0.8
159.11681	0.7
161.09512	0.6
163.11197	0.8
163.72937	0.7
165.09035	0.8
167.10681	3.3
173.09695	0.9
191.08548	0.9
219.08086	1.4
279.07245	0.9
279.10165	1.7
293.13818	4.3
311.12308	1.7
311.14920	3.5
326.03604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
50.96915	0.3
51.02370	1.3
53.03928	2.6
55.01866	1.3
55.05505	4.8
57.03225	0.3
57.03432	3.5
59.04990	0.7
61.02919	0.9
65.03928	0.6
67.05499	3.5
67.06829	0.5
68.17022	0.3
69.03421	16.2
69.07052	0.6
71.04976	1.3
73.02930	0.5
73.52859	0.3
75.04464	1.0
77.03896	1.7
79.05482	37.0
80.05814	0.7
81.03407	14.4
81.07047	5.3
83.04945	0.4
85.02892	12.9
87.04452	1.2
91.05468	23.4
92.05793	0.4
93.07030	100.0
94.04166	0.4
94.07373	2.0
95.04955	10.0
95.05529	0.7
95.08585	3.1
97.02880	4.6
97.06519	0.6
99.04439	2.3
103.05462	2.5
105.04512	3.6
105.07015	13.5
106.07824	0.5
107.04929	2.2
107.08578	22.8
108.08857	0.6
109.02861	7.2
109.03523	0.3
109.06509	1.4
111.08062	1.8
115.05447	0.9
116.06253	1.9
117.07019	1.0
119.06029	0.4
119.08578	5.5
121.06503	2.9
121.10126	71.4
122.03652	0.7
122.10453	1.8
123.08060	1.6
123.11738	0.6
125.05959	0.9
127.03892	3.8
128.06206	0.4
129.06995	1.6
131.04904	0.8
131.08554	10.2
133.06468	0.9
133.07582	1.6
133.10097	1.6
135.07983	0.4
135.11649	0.4
137.05952	4.9
139.11154	1.1
142.58513	0.3
143.08586	0.5
145.04939	0.4
145.10109	1.1
147.08044	0.7
149.09593	26.7
149.79324	0.4
150.09906	0.7
155.04848	0.4
157.10114	0.4
159.08055	0.7
161.06004	0.7
161.09523	0.5
163.07494	0.9
163.11214	0.6
167.03343	0.6
167.10669	2.6
169.10135	0.4
172.05045	0.5
173.09579	0.6
173.13135	0.4
183.11739	0.4
187.07509	1.5
187.11226	0.8
189.09158	0.3
190.07675	0.7
191.08516	1.9
191.10417	0.5
207.07942	0.5
208.08699	0.5
209.09550	0.4
218.07231	1.0
219.07953	2.4
223.11093	0.6
233.09677	0.5
236.08250	0.6
247.07501	1.2
251.10629	2.9
253.15816	1.5
264.07648	0.5
265.08545	0.6
265.19238	0.4
279.10077	3.7
293.13913	3.5
293.18774	0.8
302.17664	0.4
311.08896	0.6
311.12271	8.1
311.20181	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	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94531	0.6
51.02363	0.8
53.03943	3.2
55.01871	1.1
55.05503	7.8
55.47182	0.7
57.03427	4.0
57.07059	1.3
59.04979	0.8
61.02910	1.0
63.07943	0.6
65.03943	1.0
67.05500	5.0
69.03423	17.4
69.07043	3.9
70.11333	1.1
71.04980	2.1
73.02892	1.1
75.04476	1.9
77.03922	1.9
79.05484	39.4
80.05813	0.8
81.03413	16.2
81.07051	7.4
83.04992	1.4
83.08616	1.1
85.02893	15.8
88.94421	0.6
91.05472	26.3
92.05793	0.6
93.07034	100.0
94.07388	1.8
95.04962	13.0
95.08595	5.8
96.05317	0.7
97.02876	7.4
97.06541	2.4
97.10185	0.8
98.14748	0.6
98.98475	6.4
99.04441	4.2
100.72794	0.7
103.03925	1.0
103.05471	1.3
105.04469	3.2
105.07012	15.2
107.04945	1.5
107.08581	25.6
108.08887	1.1
109.02857	7.0
109.06539	3.1
109.10145	2.2
111.04444	1.4
111.08053	2.9
116.06280	0.9
117.07042	1.9
119.08561	13.5
121.06498	1.8
121.10131	80.9
122.10469	2.0
123.08048	2.1
123.11709	1.0
125.06028	1.1
127.03904	4.1
128.06181	1.1
129.07008	1.1
131.08543	7.0
133.06480	1.2
133.07530	0.9
133.10094	3.0
135.11647	1.4
137.05977	2.7
139.11169	1.6
142.07874	0.7
143.08534	1.1
143.33632	0.7
145.04903	1.0
145.10114	3.1
147.08018	0.9
147.11725	0.7
149.09602	15.9
155.08528	0.8
157.10149	1.0
159.08041	0.7
161.09552	1.1
163.11203	1.4
167.08591	0.6
167.10640	4.8
173.09682	0.6
183.11736	0.8
187.07533	1.0
187.11134	1.0
189.09019	0.8
191.08517	0.8
191.10667	1.4
201.12668	0.7
209.73880	0.6
218.07385	0.7
219.08031	0.9
223.11223	0.6
233.04295	1.2
237.09006	1.1
250.06050	0.7
251.10617	1.1
265.08545	1.5
275.12695	0.9
279.10077	2.4
293.08206	1.3
293.13876	4.3
296.10364	0.7
311.09100	1.6
311.12735	5.9
311.15463	1.6
311.20047	1.3
311.23447	1.3
333.20770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73680	1.3
53.03936	5.7
55.01857	1.6
55.05509	6.0
57.03423	4.2
57.30920	1.1
67.05493	2.6
67.64332	1.2
69.03421	22.1
69.16801	6.6
71.04976	2.5
73.02914	1.6
75.04466	1.6
77.03902	1.8
79.05485	39.5
81.03410	25.6
81.07074	5.6
85.02899	13.6
91.05469	21.1
93.07034	100.0
94.07365	2.4
95.04951	11.4
95.08607	2.6
97.02874	11.5
98.22651	2.0
98.23240	5.3
99.04446	4.3
103.05458	2.7
105.04500	2.1
105.07018	15.3
107.08580	24.5
109.02875	12.6
109.06529	2.8
109.10177	1.3
111.08058	3.1
116.06252	1.1
117.07008	1.6
119.08577	15.1
121.06481	2.6
121.10132	89.4
122.10451	2.0
123.08056	2.8
125.05878	1.3
127.03876	7.5
129.06963	2.2
131.08533	10.0
133.02867	2.1
133.06470	2.5
135.11659	1.2
137.05946	5.8
139.11169	2.3
143.08568	2.0
145.10081	2.7
149.09598	25.4
157.10069	1.3
159.08000	1.8
159.11699	1.9
161.05974	2.5
167.10661	6.7
179.08580	2.4
187.11229	1.3
190.07747	1.3
191.08542	2.6
194.07240	1.9
207.08029	2.3
218.07277	1.5
219.08029	3.3
221.06009	1.4
222.06686	1.2
223.07503	1.9
224.08232	1.0
233.09531	1.6
234.06644	1.4
234.10388	1.4
235.07529	2.5
236.08310	2.3
237.05342	1.7
237.09036	1.7
247.07439	2.2
249.05258	1.3
250.06198	3.5
251.07018	1.4
251.10625	4.5
253.15721	1.4
261.09048	2.7
264.07697	3.1
265.08594	8.1
279.10010	4.0
289.20010	1.3
293.11115	1.9
293.14221	6.0
293.18927	1.5
294.11975	3.8
296.10309	1.3
311.12650	26.5
311.15350	1.2
311.20090	5.8
312.20328	1.1
315.93964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01858	2.1
55.05502	5.2
57.03436	4.8
59.04989	1.1
60.65047	0.6
61.02933	1.3
65.03934	1.2
67.05501	4.9
69.03422	21.1
69.07058	1.7
71.04982	2.8
73.02911	1.7
75.04475	1.8
77.03920	2.1
79.05486	38.6
81.03407	24.9
81.07056	7.8
81.63799	0.7
83.04953	1.1
83.08611	0.7
85.02896	13.9
87.04474	1.3
91.05472	25.0
93.07034	100.0
94.07376	1.3
95.04962	9.1
95.08604	5.3
96.66589	0.8
97.02886	7.5
97.06510	1.6
99.04446	3.1
101.31190	0.8
103.05453	2.8
105.04578	3.5
105.07018	17.8
106.07779	0.7
107.04958	1.4
107.08582	20.1
109.02872	10.0
109.06523	1.9
109.10133	1.4
111.04418	1.1
111.08067	2.5
115.05470	0.9
116.06217	1.9
117.07018	1.6
119.08565	13.0
120.95725	0.6
121.06508	3.7
121.10131	93.7
122.10468	2.1
123.08043	2.8
123.11678	1.5
125.05993	0.7
127.03905	5.4
129.06981	2.1
131.08557	10.4
133.07597	1.8
133.10098	0.9
137.05965	2.9
139.11166	1.9
143.08531	1.3
145.04951	0.8
145.10037	1.0
149.09602	38.7
150.09938	0.7
157.10114	1.3
161.09599	1.0
163.11136	0.9
167.10648	6.0
170.15390	0.8
189.09142	0.7
190.07805	0.9
219.08101	1.2
233.09520	0.7
251.10542	1.5
260.81195	0.7
264.07623	1.1
279.10077	1.5
293.13785	9.5
311.12112	6.0
311.19714	1.0
311.23407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.05497	5.4
57.03437	3.6
61.95071	1.5
67.05476	5.2
69.03420	24.5
69.07053	2.5
69.65164	5.0
71.04976	2.5
73.02925	1.9
77.03880	2.2
79.05043	2.6
79.05484	38.3
81.03410	23.4
81.07047	9.5
84.01465	1.6
85.02899	14.5
89.83802	1.8
91.05464	23.8
93.07034	100.0
95.04965	12.6
95.08599	6.0
97.02874	7.6
98.22665	1.9
98.23229	4.8
99.04427	3.6
100.53871	1.5
103.05421	2.1
105.04478	2.3
105.06996	15.1
107.08588	24.7
109.02872	13.0
109.06543	2.8
119.08569	11.5
121.06512	4.4
121.10126	87.8
122.03658	1.8
123.08073	2.8
127.03881	4.6
129.06990	2.5
131.08545	8.7
133.10083	2.6
137.05946	14.5
139.11172	3.2
145.10132	2.7
149.09608	28.6
167.10645	5.7
173.09703	2.1
190.07712	1.9
191.08527	3.6
199.11198	2.2
216.98438	1.8
219.08061	7.2
221.05940	2.4
236.08261	1.9
247.07529	4.8
251.10580	6.7
264.07669	1.7
274.96265	1.9
279.10092	10.1
281.07864	2.0
290.42221	2.3
293.13773	8.6
295.05347	1.8
297.20911	2.0
300.65836	1.9
311.08960	4.9
311.12363	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	311.2002
Annotation	Longithorone B
Peak:m/z	Relative Intensity
53.03929	1.3
55.01860	1.5
55.05505	4.4
57.03411	0.6
57.07060	0.7
65.03944	0.6
67.05495	4.8
68.20687	0.4
69.03418	2.9
69.07059	3.2
71.04970	1.6
77.03911	1.1
79.05485	8.9
81.03407	2.1
81.07047	7.6
81.11540	0.4
83.04957	2.3
83.08600	1.6
83.79121	0.5
85.02866	1.4
91.05470	10.7
93.07035	15.8
95.04955	3.8
95.08591	6.5
97.06515	1.7
99.04431	0.5
103.05444	0.8
105.04503	0.9
105.06346	0.8
105.07019	13.9
107.04939	2.1
107.08578	8.9
109.06513	2.9
109.10139	4.2
111.08059	1.7
115.05425	1.9
117.07015	5.8
119.04919	0.7
119.08558	11.8
121.06490	5.5
121.10128	8.3
122.03606	0.7
123.08047	2.8
123.11697	0.8
125.09609	2.1
128.06224	3.1
129.06996	5.6
130.07768	1.5
131.04933	0.7
131.08554	12.1
133.06471	1.8
133.10110	7.9
135.08044	2.7
135.11664	2.0
137.05975	4.9
137.09579	0.8
139.07520	0.8
141.07001	3.3
142.07780	3.2
143.04979	0.6
143.08543	10.6
144.05719	0.9
144.09308	1.1
145.06430	3.1
145.10121	9.3
146.07207	0.7
147.08034	5.1
147.11687	2.5
149.05925	0.6
149.09601	3.7
151.11134	0.9
153.06949	2.1
154.07736	1.8
155.08540	6.7
156.09326	2.5
157.06461	1.4
157.10106	9.8
158.07230	2.8
158.10855	0.7
159.06883	0.7
159.08051	6.9
159.11679	8.6
160.08707	0.6
161.06000	1.1
161.09599	4.0
161.13185	1.4
163.11177	0.6
165.07016	2.6
166.07776	1.2
167.08539	3.4
168.09297	1.7
169.06332	0.5
169.10123	8.0
170.10866	1.1
171.08037	7.1
171.11671	8.4
172.08789	1.7
173.09602	16.4
173.13252	7.4
174.13835	0.6
175.07532	1.0
175.11156	1.6
175.14764	0.8
177.12708	0.8
178.07687	0.6
179.08510	3.5
180.09303	2.6
181.10080	7.0
181.34702	0.5
182.10875	1.9
183.08006	1.5
183.11668	6.0
184.08856	0.5
184.12314	0.6
185.09692	3.0
185.13206	3.9
187.07574	2.6
187.11156	19.7
187.14819	1.4
188.11617	0.9
189.07381	0.5
189.09035	3.2
189.12729	1.0
189.47961	0.5
190.07733	1.2
191.08513	3.1
191.10561	1.5
192.09273	0.8
193.10126	5.1
194.10869	1.6
195.07979	1.3
195.11671	9.2
196.08911	0.8
196.12375	1.5
197.09567	3.2
197.13231	5.4
198.10352	0.8
198.13895	0.6
199.11148	4.0
199.14857	2.9
201.12721	4.5
203.10684	0.7
204.09340	0.7
204.49437	0.6
205.10173	2.7
205.11978	0.5
206.10889	1.4
207.11597	3.6
208.08833	0.7
208.12468	2.1
209.09683	3.0
209.13255	7.1
210.10329	0.8
210.13911	1.6
211.11185	3.5
211.14771	3.7
212.11855	0.9
212.15538	0.6
213.12740	4.2
213.16325	4.9
215.14203	1.1
217.12125	0.7
218.10748	0.8
219.08105	2.5
219.11665	2.3
220.12393	1.1
221.13193	3.9
222.10365	1.2
222.14003	1.2
223.11176	4.3
223.14754	5.9
224.11932	1.7
225.12750	3.8
225.16296	3.4
227.10764	0.7
227.14342	1.6
229.12183	0.9
231.11681	1.2
233.13214	1.4
235.11087	0.6
235.14754	4.4
236.08176	0.7
236.15494	1.8
237.12730	4.2
237.16327	5.9
238.13467	2.0
238.16895	0.9
239.14328	3.3
239.17903	0.6
240.14980	0.6
241.12163	1.9
241.15862	4.4
245.13257	1.4
246.13887	0.7
247.07497	0.9
247.14751	1.5
249.12733	1.9
249.16389	1.7
250.13351	0.8
250.17093	1.1
251.10573	3.1
251.14355	2.3
251.17937	3.5
253.15833	16.8
254.16373	1.2
255.13751	1.1
260.15634	0.9
263.14221	2.1
264.07773	0.7
264.15100	1.5
265.15958	1.4
265.19485	5.1
267.17413	1.6
269.15515	1.0
269.18967	3.6
275.17810	2.9
278.16678	2.4
279.10016	2.4
281.08054	0.5
281.15280	0.8
282.16156	0.9
283.16888	1.7
283.20520	4.1
293.18948	21.3
294.19418	1.7
296.17697	2.0
311.13022	3.1
311.19998	100.0
312.20328	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.20945	6.7
55.01864	15.6
55.05507	64.3
57.07069	23.7
60.13646	6.3
67.05500	36.5
69.07053	27.3
69.55322	18.6
70.06581	14.7
71.04983	10.9
71.08624	34.4
78.16138	6.1
79.05482	29.4
81.03419	20.9
81.07059	35.5
83.04978	21.6
83.08620	34.8
88.07592	7.4
91.05487	21.9
93.07033	38.6
95.04955	43.2
95.08589	25.3
97.06497	5.7
97.10133	16.0
98.22742	13.7
98.23331	15.9
99.08096	16.6
105.07039	10.9
107.08579	20.0
109.10120	13.4
110.93773	8.5
111.04449	18.3
111.08053	9.5
117.07018	8.9
119.08533	9.9
121.10124	15.3
125.09610	28.0
131.08601	8.2
135.08049	11.4
145.10126	13.4
149.02370	28.8
159.11681	12.2
163.11179	32.5
177.12784	11.2
189.11250	12.8
189.41771	6.7
193.04901	57.9
193.12170	7.0
195.13808	11.0
196.62456	17.1
197.12767	7.3
209.17487	6.9
224.65659	8.6
237.14854	31.2
256.26221	8.0
275.20087	44.8
293.21072	100.0
311.21768	7.4
311.24579	63.3
311.74661	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	311.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20945	6.7
55.01864	15.6
55.05507	64.3
57.07069	23.7
60.13646	6.3
67.05500	36.5
69.07053	27.3
69.55322	18.6
70.06581	14.7
71.04983	10.9
71.08624	34.4
78.16138	6.1
79.05482	29.4
81.03419	20.9
81.07059	35.5
83.04978	21.6
83.08620	34.8
88.07592	7.4
91.05487	21.9
93.07033	38.6
95.04955	43.2
95.08589	25.3
97.06497	5.7
97.10133	16.0
98.22742	13.7
98.23331	15.9
99.08096	16.6
105.07039	10.9
107.08579	20.0
109.10120	13.4
110.93773	8.5
111.04449	18.3
111.08053	9.5
117.07018	8.9
119.08533	9.9
121.10124	15.3
125.09610	28.0
131.08601	8.2
135.08049	11.4
145.10126	13.4
149.02370	28.8
159.11681	12.2
163.11179	32.5
177.12784	11.2
189.11250	12.8
189.41771	6.7
193.04901	57.9
193.12170	7.0
195.13808	11.0
196.62456	17.1
197.12767	7.3
209.17487	6.9
224.65659	8.6
237.14854	31.2
256.26221	8.0
275.20087	44.8
293.21072	100.0
311.21768	7.4
311.24579	63.3
311.74661	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01862	14.0
55.05511	39.1
57.03422	13.6
67.05501	99.3
69.03395	7.4
69.07054	23.9
79.05483	66.0
81.03417	11.2
81.07056	100.0
83.04968	6.9
83.08598	26.9
85.02898	10.0
91.05479	57.8
93.07030	86.0
95.04961	18.5
95.08598	51.2
97.06509	17.3
97.10150	18.6
105.07016	61.2
107.04950	10.7
107.08592	43.4
109.06483	9.0
109.10123	35.9
111.08067	9.3
117.07007	19.6
119.08566	50.8
121.06425	7.2
121.10130	56.0
123.08043	7.3
123.11678	8.6
125.09616	22.2
129.06984	8.3
130.73573	7.7
131.08554	39.5
133.10152	39.2
135.08093	8.8
135.11610	10.7
137.05971	21.1
137.09561	8.3
141.24792	6.1
145.10091	20.1
147.11703	21.7
149.09572	22.5
149.13200	11.4
159.11667	15.5
161.13272	15.2
165.09241	7.0
173.11844	12.3
173.13286	9.1
187.07481	9.1
189.11232	12.9
219.08008	10.0
235.17043	10.0
251.10654	14.5
257.19006	11.0
275.20084	94.5
279.09973	11.8
292.21652	7.4
293.21030	14.2
311.09338	8.7
311.12668	20.5
311.18283	25.2
330.87604	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	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01859	52.5
55.05500	44.9
57.03425	11.0
57.07076	43.2
67.05502	69.6
69.07050	26.9
71.08610	8.8
71.43295	9.7
79.05485	36.9
81.03407	8.7
81.07056	36.4
83.04972	16.7
83.08614	8.9
91.05447	30.7
93.07050	40.4
95.04948	18.9
95.08575	48.3
97.06522	14.2
97.10156	9.1
99.08060	8.2
102.09155	10.4
105.07006	15.1
107.04939	15.9
107.08570	16.5
109.06485	8.7
109.10153	31.8
111.04435	15.5
111.08113	9.1
112.34687	6.6
117.07010	7.0
119.08562	18.8
121.10125	13.8
123.08069	13.2
125.09603	57.4
131.08502	9.3
133.10106	13.1
135.04381	14.3
135.08046	18.0
137.09608	27.6
139.84529	6.9
142.93832	11.4
145.10129	11.1
149.09589	10.1
151.11177	27.6
153.05449	15.6
163.11249	11.0
177.12737	17.7
181.04924	8.6
181.12146	10.6
191.10646	12.7
191.14211	7.9
209.11717	100.0
237.11172	75.6
247.20581	7.4
251.00667	7.0
255.12259	14.9
275.20071	33.0
293.21048	24.0
311.12402	11.2
311.17709	26.4
311.21909	8.1
311.25598	9.2
312.32513	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03923	1.3
55.01867	2.6
55.05507	9.2
57.03420	1.3
57.07069	7.2
67.05500	14.4
69.07067	5.5
69.59054	3.0
69.59465	2.2
71.04968	1.6
71.08605	1.5
77.03938	1.1
79.05476	10.5
81.07051	15.5
83.04961	3.9
83.08601	4.7
85.06528	1.7
85.10172	2.0
87.01547	1.1
91.05466	8.2
93.07036	7.3
95.04958	7.4
95.08585	9.5
97.06548	2.0
97.10165	1.4
97.89886	1.2
98.23171	3.6
99.04430	1.3
105.04472	1.3
105.07014	9.2
107.04935	3.0
107.08598	7.1
109.06532	2.1
109.10140	10.3
111.04434	4.7
111.08160	1.7
113.09602	1.1
117.07000	1.4
119.08540	3.3
121.10112	4.9
123.08032	1.9
123.11672	2.5
125.05966	3.1
125.09593	1.3
131.08537	2.7
133.06400	1.5
133.10117	8.7
135.04404	100.0
135.11630	3.1
136.04774	1.9
137.09581	2.0
142.93854	9.7
145.10115	2.4
146.07224	2.6
147.11658	1.7
149.09573	1.9
149.13216	1.4
151.11145	4.7
153.05412	3.3
159.11609	1.4
161.09599	45.2
162.55554	1.0
163.11188	3.4
167.10686	2.4
169.12228	1.6
177.12666	1.3
181.05023	1.2
181.12209	2.2
191.10663	1.9
209.11714	19.2
225.73969	1.1
237.11182	13.8
247.20515	1.9
255.12180	2.0
257.18765	1.5
275.19980	12.9
293.17908	2.0
293.21048	15.2
311.12555	10.7
311.16211	3.1
311.25876	1.4
312.32480	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01866	3.0
55.05507	71.9
57.03432	21.1
57.07069	23.8
67.05504	37.3
69.07075	100.0
70.07378	2.6
71.04996	5.3
71.08625	13.8
77.18959	2.2
79.05491	23.8
81.03394	4.1
81.07052	46.3
83.04967	5.1
83.08613	55.8
85.06506	2.7
85.10169	7.7
91.05468	33.4
93.07037	87.7
95.04964	60.0
95.08598	76.7
97.06525	23.3
97.10161	30.5
105.07017	55.9
107.08586	46.3
109.06518	9.9
109.10146	32.5
111.08057	2.7
111.11697	11.9
115.05421	3.3
117.06985	15.1
119.08566	55.0
121.06508	14.5
121.10139	50.4
123.08044	14.0
123.11695	16.5
125.09647	4.2
125.13297	3.5
125.17030	2.2
129.06979	7.7
130.07794	2.6
131.08546	18.7
133.06425	2.4
133.10117	33.5
135.04454	3.4
135.08009	11.3
135.11699	18.3
137.09563	2.7
137.13272	5.5
138.66505	2.2
139.11243	2.3
142.07776	6.9
143.08545	12.4
144.09250	2.9
145.10126	29.8
147.07954	2.8
147.11679	22.1
149.09630	5.2
149.13245	7.3
154.07748	2.6
155.08583	4.7
156.09282	4.8
157.10126	25.4
158.10896	2.8
159.11691	41.9
161.09590	8.9
161.13222	9.3
163.14705	2.9
167.08601	3.5
169.10094	8.0
171.11676	13.9
173.13255	13.7
175.14813	8.9
177.16377	22.1
181.10101	4.7
183.11685	6.5
185.13220	9.9
187.11147	3.7
187.14761	6.9
189.12753	2.8
189.16374	15.9
195.11717	3.5
197.13255	7.5
199.14781	6.5
201.16360	8.0
203.17993	4.8
209.13263	4.8
211.14821	9.9
213.16246	2.6
215.17949	3.6
223.14847	4.4
225.16382	3.2
237.11116	4.6
237.16371	3.6
241.15831	3.0
255.55537	2.2
267.21017	3.1
293.22455	4.7
311.26294	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.62090	0.8
51.76403	0.8
52.22365	0.8
53.03932	1.7
55.01873	1.3
55.05507	66.7
56.05841	1.1
57.03434	30.1
57.07070	32.9
63.68993	0.8
65.03960	0.9
67.05499	12.3
69.07062	76.0
71.04961	1.3
71.08263	1.6
71.08629	17.3
73.02904	1.1
79.05483	7.4
81.07052	16.6
83.04961	2.1
83.08614	59.8
84.08945	1.0
85.06503	1.0
85.10173	8.0
85.29454	0.9
87.04459	1.0
91.05508	1.6
93.07039	10.9
95.04932	1.4
95.08591	12.8
97.06522	7.1
97.10161	40.3
98.10488	1.0
98.22668	2.6
101.06039	1.4
107.08572	5.3
109.10178	5.7
111.08065	3.2
111.11709	13.1
115.07550	1.1
121.10139	9.9
121.39877	0.9
123.11697	3.4
125.09643	2.3
125.13253	2.4
133.10146	0.9
135.04408	4.7
135.11685	6.6
137.13263	1.8
139.11156	2.5
149.13242	3.3
153.05457	1.2
161.09592	2.1
167.14230	1.4
188.54810	0.8
209.11717	7.2
219.20992	2.2
222.56725	0.8
224.88513	0.8
237.11176	5.6
237.22166	1.3
311.25763	100.0
312.26028	5.0
312.32309	1.4
312.36188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	16.0
59.04999	19.1
59.97807	8.5
65.16669	11.1
69.03424	38.2
69.12485	51.0
69.12901	22.4
69.32021	8.9
85.02896	62.7
87.08087	21.1
91.05460	15.9
95.04967	11.6
95.66223	8.7
97.02887	16.7
98.23504	21.0
99.24671	10.0
101.06002	28.4
101.95488	10.2
106.91561	11.0
110.65828	10.9
115.07557	86.6
116.21975	12.2
124.34484	11.3
127.03917	13.2
133.02872	21.3
133.08577	53.0
137.05963	19.3
145.04968	27.8
162.05507	33.8
179.03432	17.4
195.07774	10.9
204.10223	50.9
250.10757	100.0
250.13235	12.1
250.14078	9.0
276.12347	14.7
312.10605	14.7
312.14709	11.9
312.18311	22.4
313.12656	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	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.8
59.04972	15.4
68.35193	9.8
69.07038	13.5
69.30848	50.1
79.36921	8.8
85.02887	47.0
89.79794	10.2
93.02780	10.4
98.23450	21.9
101.06000	51.6
115.03899	9.9
115.07536	66.5
128.96504	9.5
133.02831	22.6
133.08595	36.9
145.04922	10.8
162.05470	27.6
204.10213	67.1
250.10713	100.0
280.03323	10.1
285.63544	11.4
312.17975	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	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00536	10.0
55.05503	20.1
60.28297	12.6
69.03413	17.0
69.35577	51.7
71.67133	11.5
73.06546	16.6
81.03403	17.6
85.02891	46.7
97.02862	21.6
98.22705	21.7
101.06004	49.5
105.03349	22.5
115.07544	34.8
122.82849	11.8
133.02823	27.8
133.08601	31.1
143.36502	12.6
145.04936	12.3
150.05504	100.0
162.05446	17.2
179.03334	13.8
190.05765	17.0
250.10713	30.5
282.72769	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	312.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26919	0.2
60.05638	1.1
70.06589	2.0
88.52052	0.2
92.04990	0.5
93.05772	0.2
94.06548	2.1
96.04485	0.2
104.10725	0.5
105.11085	0.4
110.06020	1.5
116.07085	0.7
120.70302	0.2
130.09756	0.4
138.05482	100.0
139.05832	2.1
158.09209	0.4
170.13351	0.2
175.11873	3.9
175.13330	0.3
176.41449	0.2
284.56134	0.2
314.07837	0.2
328.33008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32124	0.3
56.96557	0.3
60.05627	1.3
60.09542	0.3
61.10909	0.3
64.57195	0.3
68.85357	0.3
70.06588	3.2
70.80161	0.6
92.05010	0.4
94.06568	2.3
97.97094	0.3
108.77277	0.3
110.06028	1.7
116.07070	0.9
128.02316	0.4
130.09708	0.6
138.05486	100.0
139.05811	2.1
158.09299	0.4
170.10153	0.3
175.11897	3.3
204.02863	0.3
219.01971	0.4
221.01717	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	7.4
57.83373	0.4
68.18672	0.4
71.16844	0.4
74.97617	1.1
81.07027	0.5
83.04960	0.4
84.96006	0.4
86.97594	0.8
95.06094	2.5
97.02903	0.6
97.73940	0.4
98.97592	2.2
111.04404	0.4
114.96999	0.4
116.98602	1.6
132.98097	0.9
134.99631	1.0
136.06201	1.3
150.99057	2.4
151.03786	0.6
153.01794	0.7
161.04868	0.5
163.00583	0.5
169.00200	1.1
172.94337	0.4
174.97600	1.2
178.62694	0.4
183.03279	0.8
190.95320	0.5
192.98753	0.8
193.01712	4.6
201.04349	1.1
203.05280	2.0
211.02744	5.6
211.14397	1.3
227.00685	0.8
232.94202	0.4
245.01733	0.6
251.02180	0.8
255.01706	2.0
263.02899	0.4
269.03235	0.8
270.21759	1.0
270.91910	0.6
270.98044	1.2
273.02924	1.1
288.92282	1.4
288.98688	1.3
289.00861	2.4
290.94714	0.5
295.01013	0.5
313.08887	100.0
314.09167	4.8
314.12485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	7.4
57.83373	0.4
68.18672	0.4
71.16844	0.4
74.97617	1.1
81.07027	0.5
83.04960	0.4
84.96006	0.4
86.97594	0.8
95.06094	2.5
97.02903	0.6
97.73940	0.4
98.97592	2.2
111.04404	0.4
114.96999	0.4
116.98602	1.6
132.98097	0.9
134.99631	1.0
136.06201	1.3
150.99057	2.4
151.03786	0.6
153.01794	0.7
161.04868	0.5
163.00583	0.5
169.00200	1.1
172.94337	0.4
174.97600	1.2
178.62694	0.4
183.03279	0.8
190.95320	0.5
192.98753	0.8
193.01712	4.6
201.04349	1.1
203.05280	2.0
211.02744	5.6
211.14397	1.3
227.00685	0.8
232.94202	0.4
245.01733	0.6
251.02180	0.8
255.01706	2.0
263.02899	0.4
269.03235	0.8
270.21759	1.0
270.91910	0.6
270.98044	1.2
273.02924	1.1
288.92282	1.4
288.98688	1.3
289.00861	2.4
290.94714	0.5
295.01013	0.5
313.08887	100.0
314.09167	4.8
314.12485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	BIOCHANIN A, DIMETHYL ETHER
Peak:m/z	Relative Intensity
50.19310	0.3
52.19180	0.3
55.05500	1.5
57.07060	1.1
58.06605	0.4
59.33665	0.3
62.06086	0.5
67.05492	0.8
69.07056	1.5
70.06595	0.4
71.08618	0.4
71.43332	0.4
81.07042	0.4
83.08616	0.6
85.10193	0.4
86.79234	0.4
88.07639	0.7
92.57406	0.3
93.07021	0.3
95.08562	0.7
96.70148	0.3
103.83272	0.3
129.10800	0.3
132.05754	0.5
133.06482	1.1
135.04439	0.7
138.03137	1.0
166.02591	0.5
168.72382	0.3
181.04955	1.6
184.03595	0.5
227.06996	1.3
241.08611	0.5
243.06615	0.5
255.06607	1.7
257.70438	0.3
269.07983	1.8
270.08838	21.9
271.09268	0.8
281.07986	0.4
283.06223	0.4
297.07562	7.5
298.08310	21.2
299.08630	0.7
311.09106	0.5
312.32565	8.7
313.10663	100.0
313.32996	4.0
313.36523	0.5
314.10983	5.3
314.34125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
56.56864	0.3
65.03932	1.6
67.05496	0.4
71.04971	0.3
77.03883	0.5
79.05489	2.1
81.07043	1.7
84.64085	0.3
91.05473	34.0
92.05805	0.9
93.07033	1.0
94.04176	2.2
95.04961	7.4
95.08590	0.9
103.05445	1.7
105.04549	0.4
105.07033	1.3
107.04942	3.6
107.08563	0.4
108.05756	0.4
109.06508	1.6
109.10168	0.6
111.04475	0.3
115.05433	1.6
116.06211	0.5
117.07013	0.9
119.04931	23.5
120.05252	0.6
120.08096	1.0
121.06494	1.0
122.03642	5.4
123.04436	0.5
123.08069	0.9
123.11674	0.7
128.06204	7.5
129.06999	18.8
130.07352	0.4
131.04915	2.7
131.08559	1.0
132.05670	0.5
133.06499	1.6
133.07393	0.3
133.10124	0.5
134.03510	0.3
135.08032	0.8
136.05180	4.7
137.05963	64.8
138.05435	0.3
138.06305	1.9
138.92067	0.3
141.06990	0.4
143.04933	0.8
143.08543	0.3
145.06474	2.7
146.07190	1.1
147.08008	0.7
149.05965	1.4
151.03902	1.8
151.07526	100.0
152.06223	0.5
152.07861	3.5
155.06044	1.1
155.90321	0.3
156.05653	1.8
157.06476	13.5
158.07138	1.0
159.04428	0.3
160.05139	0.7
161.05986	2.0
161.09616	2.2
161.30428	0.3
163.07544	5.5
165.06973	1.9
167.08557	0.3
169.06467	0.4
173.05983	0.3
174.06754	11.8
175.07533	5.7
176.08195	1.2
177.09091	0.8
178.07742	3.1
179.08372	0.5
179.10780	0.3
181.06558	0.7
189.09085	56.8
190.09425	2.1
191.08598	0.6
191.10663	0.6
192.09352	1.0
193.06471	0.4
193.10098	5.2
195.08022	0.5
197.05981	0.9
202.07774	1.5
203.08572	2.8
205.06509	0.8
206.07286	1.3
206.89001	0.3
207.08014	0.8
209.06003	0.5
210.06737	1.2
211.07513	0.8
212.08388	0.7
219.07999	0.9
220.08797	1.1
221.06128	0.6
221.09596	9.0
222.10185	0.8
223.07539	0.7
224.08250	0.9
225.05627	0.4
225.09119	1.6
227.07130	0.4
231.08035	0.8
234.06628	0.5
235.07541	0.5
235.11142	0.8
237.05508	0.5
237.09119	0.7
238.06168	0.5
238.09868	1.1
239.06944	0.7
239.10519	0.4
240.07785	0.3
241.08582	0.8
248.08267	0.6
249.09077	7.9
250.09723	0.6
251.07060	0.5
253.08557	1.1
253.12202	10.8
254.12639	1.0
263.10651	1.3
266.09332	1.1
267.09909	0.3
269.08017	2.5
270.08932	0.3
272.10349	1.2
281.04285	0.5
281.11676	7.0
282.12161	0.8
284.10370	1.6
285.11148	0.9
295.13031	0.4
298.11896	0.6
313.06863	0.9
313.14301	30.2
314.14600	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
55.01870	0.6
65.03928	1.7
67.05471	0.5
68.45006	0.4
69.29308	1.3
69.29700	0.9
70.81626	0.5
73.41449	0.4
79.05502	2.1
81.03402	0.5
81.07041	1.5
91.05473	42.4
92.05795	1.2
93.07033	1.3
94.04195	2.6
94.04659	0.4
94.07412	0.6
95.04958	7.8
95.08599	0.6
101.43507	0.5
103.05443	2.5
105.07013	1.7
107.04926	4.6
107.08549	0.7
108.05718	0.6
109.06506	1.9
115.04716	0.5
115.05415	2.3
117.07011	1.5
118.04149	0.4
119.04932	28.8
119.08563	0.5
121.06483	1.1
121.10184	1.0
122.03651	6.4
123.08046	1.2
128.06204	8.7
129.06996	24.4
131.04886	1.8
131.05792	0.4
131.08533	1.7
133.06485	1.9
135.08037	0.9
136.05182	5.4
137.05963	70.9
138.06305	1.5
138.76019	0.5
141.06944	0.5
143.04918	0.7
145.06461	3.6
146.07233	1.6
147.08058	0.9
149.05957	1.4
151.07526	100.0
152.07845	2.6
153.07016	0.6
155.06024	1.4
156.05670	2.7
157.06465	14.1
158.07222	0.9
159.04353	0.5
159.08008	0.5
160.05173	0.9
161.05960	2.5
161.09608	2.7
163.07523	2.8
165.06987	3.2
166.07631	0.4
169.06432	0.6
173.05925	0.6
174.06758	12.9
175.07539	6.6
177.09062	1.1
178.07762	3.6
179.08505	0.7
181.06493	0.7
187.07475	0.6
189.09085	58.4
190.07945	0.6
190.09416	2.5
191.08531	0.9
191.10724	0.6
192.09262	1.3
193.06476	0.6
193.10074	5.1
195.07956	0.8
197.06024	1.1
202.07719	1.8
203.08585	3.1
206.07263	1.7
207.07974	0.8
209.05983	0.7
210.06703	1.7
211.07481	0.9
212.08368	1.0
219.07988	1.2
220.08769	1.2
221.06053	0.8
221.09612	10.3
222.10266	0.6
223.07568	1.1
224.08275	0.9
225.09056	1.8
231.08035	1.4
231.92375	0.5
234.06665	1.2
235.07550	0.8
235.11134	1.0
237.09103	1.1
238.06204	0.6
238.09897	1.4
239.06941	0.5
241.08466	0.5
249.09096	7.8
250.09647	1.0
251.06909	0.6
253.08490	1.2
253.12207	10.4
263.10727	1.2
266.09293	0.6
267.10159	0.5
269.08032	2.8
272.10370	1.4
277.14420	0.6
281.11694	6.9
282.12271	0.7
284.10400	2.0
285.11279	1.2
298.11792	1.0
313.14307	27.7
314.14642	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Stemofuran H
Peak:m/z	Relative Intensity
51.02382	0.4
65.03935	1.6
67.05475	0.9
69.39288	1.3
77.03906	0.5
79.05479	2.0
81.07040	1.0
91.05470	37.8
92.05807	0.6
93.07017	0.4
94.04169	2.3
95.04956	7.2
95.08548	0.5
103.05415	1.5
105.04474	0.4
105.07018	1.3
107.04926	3.5
107.06094	0.3
107.08585	0.4
108.05776	0.4
109.06519	2.0
115.05418	2.1
117.06995	1.3
119.04931	25.2
120.05253	0.6
121.06483	1.3
121.10099	0.4
122.03635	5.7
123.04356	0.4
123.08051	0.9
127.05431	0.4
128.06212	8.6
129.06992	21.8
130.07332	0.7
131.04922	2.6
131.08539	0.9
132.05647	0.7
133.06465	1.6
135.04298	0.3
135.08018	0.7
136.05168	4.8
137.05960	69.4
138.06343	1.9
143.04913	1.2
145.06459	2.3
146.07272	1.8
146.27928	0.4
147.07993	1.0
149.05959	1.2
149.09575	0.4
151.07521	100.0
152.06155	0.5
152.06726	0.4
152.07855	3.0
155.06032	1.1
156.05681	1.7
157.06476	15.3
158.07068	0.6
159.04346	0.6
159.08047	0.4
160.05206	0.5
161.05965	2.7
161.09607	1.6
163.07489	2.5
165.07007	2.1
167.07162	0.4
167.08553	0.4
169.06436	0.6
171.08087	0.4
173.05952	0.5
174.06746	11.8
175.07521	6.0
176.08238	0.9
177.09055	1.1
178.07739	3.8
179.08484	0.9
181.06464	0.8
181.10138	0.4
181.36679	0.3
187.07628	0.3
189.09082	60.1
190.07867	0.6
190.09377	2.3
191.08481	0.8
192.09267	1.2
193.06454	1.0
193.10103	5.1
195.08023	0.6
195.29634	0.3
196.05139	0.5
197.05966	0.7
199.07475	0.5
202.07748	1.3
203.08592	2.4
204.09053	0.6
205.06413	0.9
206.07234	1.3
207.08041	0.9
209.05919	1.0
209.09457	0.5
210.06752	1.5
210.10373	0.7
212.08238	1.0
212.73730	0.3
219.08070	1.0
220.08789	1.0
221.06107	0.6
221.09590	10.5
222.10069	0.7
223.07475	1.0
224.08287	0.8
225.09035	1.4
231.08131	0.7
233.06165	0.3
234.06683	0.5
235.07590	0.4
235.10992	0.6
237.05507	0.4
237.08957	1.0
238.06151	0.7
238.09781	1.2
239.07100	0.6
241.08511	1.0
244.09850	0.4
249.09044	7.1
250.09564	0.9
252.07947	0.4
253.08493	1.2
253.12210	11.0
254.12607	0.9
263.10632	1.2
265.09109	0.4
266.09320	0.8
267.09991	0.4
269.08075	3.1
272.10419	1.5
280.10605	0.4
281.11673	7.3
282.12268	0.9
284.10416	1.7
285.11166	0.7
295.13199	0.7
298.11844	0.7
313.14279	36.0
314.14636	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	313.1431
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
55.01861	0.7
55.05492	1.6
57.03427	1.0
59.99996	0.4
65.03923	2.0
67.05491	1.1
69.03426	2.1
69.07053	1.0
69.45213	1.4
69.45618	0.7
71.04993	0.8
77.03905	0.7
79.05486	2.8
79.57819	0.4
81.03412	2.2
81.07043	1.6
82.04172	0.6
83.04958	0.9
83.08608	0.5
85.02905	0.9
91.05469	39.2
93.07030	1.8
94.04172	2.6
95.04953	7.1
95.08597	1.8
97.02868	1.0
97.06505	0.9
103.05457	2.0
105.00061	0.5
105.04507	0.4
105.07031	2.5
107.04937	2.9
108.05727	0.6
109.06506	3.1
111.04414	0.6
111.08083	3.2
115.05422	1.7
117.06991	1.7
119.04929	25.4
119.08543	0.8
121.06457	1.0
122.03631	7.2
123.04441	0.6
123.08046	1.4
123.11651	0.4
128.06210	9.1
129.06989	24.1
130.07321	1.3
131.04913	3.3
131.08557	1.0
132.05698	0.5
133.06465	1.7
133.07426	0.4
135.08047	1.4
136.05176	5.1
137.05959	73.4
138.06291	1.6
139.07523	2.6
141.09082	1.3
143.04918	1.1
143.08493	0.6
145.06464	3.8
146.07190	0.9
147.08020	0.8
149.05966	1.4
149.09570	0.7
151.03899	1.6
151.07521	100.0
152.06174	0.6
152.07843	2.8
155.06006	1.1
156.05640	1.9
157.06473	15.8
158.07169	0.7
159.04370	0.5
159.08008	0.4
160.05186	0.6
161.05956	2.2
161.09639	2.0
163.07520	3.2
165.06937	2.9
165.09125	0.5
166.07634	0.5
167.08562	0.4
169.06493	0.4
169.57658	0.4
172.60504	0.4
173.06096	0.5
174.06738	14.0
175.07513	6.2
175.08923	0.7
177.09099	0.7
178.07729	3.7
179.08543	0.6
181.06526	0.8
182.07291	0.8
187.07484	0.6
189.09079	61.4
190.09435	2.6
191.08646	0.7
191.10617	1.3
192.09378	1.5
193.06467	0.9
193.10110	5.5
194.07147	0.5
195.07990	0.6
197.05968	0.9
202.07767	1.4
203.08586	2.8
205.06454	0.7
206.07285	2.3
209.05977	0.7
209.09845	0.5
209.11659	2.0
210.06717	1.3
210.10442	0.6
211.07532	0.7
212.08354	0.7
219.07999	1.0
220.08846	1.2
221.06172	0.7
221.09564	9.0
222.10210	0.9
223.07510	1.0
224.08264	0.6
225.05568	0.4
225.09067	1.7
227.06982	0.4
231.08070	1.1
234.06615	0.8
237.05354	0.4
237.08977	0.9
238.06305	0.4
238.09897	1.7
239.06873	0.6
241.08597	1.1
248.08197	0.7
249.09073	9.2
250.09592	0.9
253.08658	1.7
253.12202	11.9
254.12527	0.6
263.10675	1.0
266.09326	1.1
267.10022	0.8
269.08026	3.6
272.10492	1.5
281.11725	7.5
282.12308	0.9
283.09735	0.6
284.10358	2.6
285.11169	0.7
295.11728	1.9
298.12006	0.6
312.22455	0.4
313.14294	39.6
314.14685	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.46534	8.3
55.01857	13.8
55.05507	50.2
60.04521	54.8
65.66399	7.4
67.05495	95.8
69.07052	32.2
71.08627	20.7
79.05478	37.2
79.84078	8.7
81.07047	72.9
83.04968	15.9
83.08611	24.0
85.06512	11.8
91.05471	33.2
93.07034	60.7
95.04953	24.2
95.08605	55.9
97.06509	8.5
97.10132	15.6
98.22833	34.7
98.23526	15.6
98.97595	16.0
105.07027	23.5
107.08564	23.5
109.06541	9.6
109.10139	38.4
111.08081	13.9
116.98592	11.9
119.08566	16.3
121.10158	20.1
123.08030	11.0
123.11654	8.9
125.09638	14.1
131.08572	11.3
133.10117	18.2
134.99680	10.4
135.11681	17.8
137.05937	9.7
137.09637	13.2
139.11121	20.4
147.11679	16.1
149.13286	20.9
173.11717	21.2
195.13768	11.4
230.52879	8.4
249.22179	19.7
253.08452	55.0
259.20444	9.2
277.21664	46.4
281.08063	9.8
290.94781	12.2
295.22794	22.7
313.10693	67.3
313.25339	100.0
314.26556	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.5
56.42053	0.8
57.03431	9.9
57.07069	47.4
57.08207	0.6
67.05495	11.0
69.07059	7.8
71.04968	0.6
71.08623	30.1
78.95656	0.7
79.05489	1.1
81.07047	11.3
83.08615	7.7
85.06485	0.8
85.09689	1.2
85.10170	15.2
87.88982	0.7
89.06001	1.3
93.06999	0.8
95.08022	1.2
95.08597	15.7
97.10146	5.2
99.11724	1.1
103.07597	1.0
109.10135	8.2
110.73177	0.6
111.11748	1.3
113.39909	0.8
123.11697	3.1
125.31038	0.7
137.13225	1.9
150.11325	0.7
176.07033	0.8
239.23701	2.4
257.24719	2.6
258.22913	0.7
313.10553	1.6
313.27319	100.0
314.27866	4.6
314.34103	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.7
57.03432	21.5
57.07071	67.5
62.06082	2.8
66.07455	1.2
67.05498	16.6
69.07059	18.9
71.08624	45.0
75.04442	1.6
79.05476	3.9
81.07049	19.9
83.08612	14.6
85.02897	2.9
85.06520	1.4
85.10181	23.1
89.06020	3.1
93.07038	4.5
95.08593	28.9
97.06532	2.0
97.10167	7.9
99.08078	4.4
103.07580	2.7
107.08554	1.2
109.10159	11.0
111.11703	2.1
121.10153	2.6
123.11697	6.2
137.13240	2.2
139.11169	2.0
151.14743	1.3
157.12242	10.0
205.05821	1.3
212.46404	1.2
239.23726	4.1
254.02478	1.2
257.24716	4.3
258.28003	1.4
295.31625	1.5
313.27341	100.0
313.32727	18.8
314.27927	6.8
314.34091	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80140	0.6
55.05505	8.1
57.03433	20.8
57.07071	63.6
57.74026	0.6
58.07391	1.0
60.08156	4.7
67.05500	13.6
69.06751	1.5
69.07101	9.6
71.04977	0.8
71.08624	40.9
73.06546	0.7
79.05498	1.4
81.07050	16.3
83.08618	12.0
85.06520	1.2
85.10175	22.9
89.06010	3.9
93.07007	1.7
95.08597	24.4
95.09209	1.2
96.08944	0.5
97.10161	6.1
98.23451	1.0
99.11718	0.9
101.06020	0.6
102.76910	0.6
103.07565	1.8
109.10143	11.5
111.11703	1.5
113.13230	0.6
117.09108	0.8
123.11729	4.3
125.13310	0.9
137.13214	1.9
151.14824	0.8
202.38177	0.7
221.22630	0.8
239.23648	5.1
257.24728	6.6
271.50949	0.6
277.52704	0.7
298.27328	0.7
312.36215	8.5
313.27332	100.0
313.36496	15.7
314.27618	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.5
57.03429	28.7
57.07072	79.3
60.08151	5.4
62.98230	4.0
67.05505	22.9
69.07062	15.1
71.08626	48.1
73.33350	2.3
79.05490	5.3
81.07056	28.2
83.08613	18.9
85.10182	27.9
89.06036	2.8
93.07037	5.1
95.08600	35.4
97.10173	10.9
103.90563	2.7
107.08599	4.7
108.40427	2.8
109.10140	15.1
121.10145	4.1
125.09637	3.4
135.11674	3.7
137.13295	3.6
145.35344	2.7
167.58412	2.5
181.36938	2.6
212.23753	7.6
221.08136	2.4
239.23778	2.7
257.24573	6.2
259.20853	2.7
277.21561	4.5
279.42575	2.6
312.36212	9.4
313.10657	3.9
313.24030	3.7
313.27371	100.0
313.32910	3.9
313.36426	12.2
314.13568	3.4
314.27744	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.6
57.03439	13.8
57.07073	65.3
59.13732	1.9
62.98237	3.3
67.05478	10.3
69.07051	9.5
71.08629	36.1
81.07039	14.8
83.08600	10.0
85.10170	20.0
89.06059	3.3
90.80422	2.0
93.07043	2.2
95.08598	18.2
97.10164	8.0
98.22681	3.5
98.23372	8.6
106.26307	2.2
108.78667	1.8
109.10139	14.3
111.11719	2.3
112.09695	1.9
113.81123	1.9
116.30933	2.3
121.10110	3.2
123.11674	4.5
171.15863	2.0
186.03433	2.5
239.23642	3.2
257.24673	3.6
312.35907	3.0
313.10486	2.6
313.27353	100.0
313.32959	4.3
313.36392	10.8
314.13889	3.8
314.27655	9.1
314.34106	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17092	1.0
55.05512	8.7
57.03432	19.6
57.07070	62.1
63.83683	0.9
67.05502	10.1
69.07061	11.1
69.97896	2.0
71.08626	40.6
81.07050	18.7
83.08613	13.1
85.10172	24.1
89.06013	4.3
93.07030	2.0
95.08591	23.6
97.10155	7.6
98.23371	1.4
99.11770	1.8
100.69688	1.0
103.07583	2.5
109.10127	10.7
111.11691	1.5
111.84831	1.0
122.32690	1.1
123.11671	5.1
125.09615	1.6
132.61157	1.2
137.13240	2.5
141.16415	1.0
150.04924	1.0
192.44942	1.0
204.89314	0.9
234.47900	0.9
239.23753	4.5
257.24783	4.2
312.36160	1.4
313.27356	100.0
314.27600	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	14.3
57.03397	17.9
57.07080	100.0
66.73044	14.6
67.05503	22.4
69.07063	19.0
69.16257	92.0
71.08614	46.5
77.11108	15.4
83.08617	15.2
85.10161	26.0
95.08587	46.8
95.73531	18.0
97.10210	18.9
100.12982	16.1
119.63486	14.0
175.40005	18.5
236.09428	15.5
257.24741	19.1
313.27310	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	315.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
54.40968	1.1
56.96567	2.1
57.20281	1.0
69.03430	9.6
70.06582	2.5
71.05019	1.0
71.40836	1.7
79.01849	3.6
81.03416	13.3
85.02887	5.7
95.06081	1.6
97.02863	5.8
98.22977	1.3
99.04418	1.4
102.04037	2.0
104.78401	1.1
107.01309	2.2
107.12742	1.1
109.02868	6.4
125.02339	4.2
127.03880	6.3
127.46449	1.1
131.92430	1.0
137.06560	1.5
141.05103	1.7
142.01796	3.6
143.03397	6.6
143.06590	1.6
149.80438	1.3
153.01817	100.0
153.02887	5.8
154.02187	2.3
155.06706	2.0
159.06198	1.6
160.02847	1.9
161.07751	1.2
168.52620	1.2
169.09424	1.2
171.02892	3.3
171.10938	1.7
172.09348	1.5
173.07710	8.8
187.05640	4.0
189.11992	2.2
192.98584	1.5
197.08827	2.7
203.03452	1.9
205.06638	1.5
209.07640	1.4
215.09915	7.5
217.09996	1.2
221.04463	2.1
233.10938	2.5
255.08450	2.7
273.09357	1.7
297.06131	5.2
297.10629	6.6
298.08783	3.7
301.07031	2.8
315.04602	9.8
315.11215	6.5
315.14987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88625	3.9
51.56472	3.4
56.96553	10.8
57.72198	3.9
65.30425	4.3
69.88224	7.2
69.88618	7.9
81.03394	5.0
88.63468	4.6
95.06077	14.3
98.97562	12.6
107.06139	4.6
110.97592	6.1
116.98602	5.7
118.03521	7.5
135.05530	6.1
141.05026	9.5
142.01753	10.1
143.06683	14.2
153.01804	14.7
153.02916	4.0
153.06558	35.5
158.99631	5.4
159.06145	4.2
160.02783	6.5
161.07738	12.1
163.37172	4.8
176.78230	4.2
177.00751	4.1
187.05521	13.3
191.48604	4.0
195.07628	5.5
199.05640	10.1
203.03516	6.3
205.06659	9.1
207.06133	6.3
219.01790	5.0
237.02815	6.2
244.07851	7.0
245.06219	9.7
297.10510	14.4
298.08749	22.3
315.04721	100.0
315.11670	35.1
316.05142	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	315.0708
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02384	0.5
53.03944	1.9
55.01867	0.4
57.03432	0.9
61.02919	0.6
69.03429	5.8
69.47401	1.7
70.51108	0.3
71.04998	0.5
73.02913	0.6
79.01854	4.7
81.03412	12.2
85.02913	4.3
97.02879	3.2
98.22659	0.7
99.04451	0.9
107.01313	2.6
109.02868	6.5
125.02341	4.0
127.03915	5.4
143.03381	7.1
153.01817	100.0
153.02887	5.5
154.02148	2.7
161.05902	0.5
171.02847	4.2
195.08029	0.6
283.09698	0.5
296.56268	0.4
297.05997	6.2
298.06256	0.4
315.07178	1.3
315.12207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09561	0.2
51.02377	0.7
52.46289	0.2
53.03943	1.1
55.01879	0.4
57.03430	0.9
57.16220	0.2
60.04519	0.3
61.02922	0.3
68.20273	0.3
69.03422	6.3
71.01364	0.4
71.04984	0.5
73.02912	0.4
79.01846	4.4
79.05490	0.4
81.03413	8.3
81.03893	0.4
81.07062	0.6
85.02400	0.5
85.02896	5.8
91.05433	0.3
95.05001	0.3
95.08609	0.3
97.02885	7.0
98.03204	0.3
98.22803	0.2
99.04450	1.3
101.02369	0.3
102.05524	0.3
105.07028	0.5
107.01313	3.3
109.02878	6.2
125.02358	4.5
127.03906	6.6
129.21568	0.2
131.08548	0.4
135.11678	0.3
137.09634	0.2
141.95761	0.2
143.03389	7.3
143.08583	0.4
153.01817	100.0
153.02881	5.3
154.02150	2.8
169.30655	0.3
171.02856	5.1
195.11771	0.3
223.07390	0.3
283.09604	0.4
297.06033	3.9
315.07205	1.8
315.12250	0.5
315.23209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01593	0.2
51.02374	0.5
53.03933	0.9
55.01861	0.3
57.03422	0.6
61.02917	0.2
69.03428	4.4
69.33949	0.8
71.04977	0.3
79.01848	5.2
81.03412	7.1
85.02900	5.4
97.02901	2.4
98.23484	0.2
99.04443	0.7
107.01309	2.7
109.02868	4.9
110.37468	0.2
125.02341	4.8
125.03219	0.4
127.03912	5.2
134.17017	0.2
135.00775	0.2
141.00645	0.2
143.03387	7.3
153.01819	100.0
153.02879	5.2
154.02147	2.2
164.01764	0.2
171.02872	5.6
213.53239	0.2
297.06039	2.7
301.46832	0.2
315.07181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01584	0.2
51.02378	0.5
51.65190	0.2
52.92760	0.2
53.03939	1.3
55.01866	0.5
57.03435	0.9
57.19465	0.2
58.21664	0.2
61.02910	0.4
69.03421	6.6
71.04977	0.6
71.42549	0.3
73.02896	0.2
79.01389	0.2
79.01846	4.7
81.03409	10.9
82.03703	0.2
85.02895	5.0
97.02883	3.4
99.04427	1.0
107.01283	1.9
109.02864	7.0
110.03199	0.2
119.67180	0.2
125.02336	4.9
127.03902	6.0
131.55272	0.2
135.00671	0.3
143.03380	7.5
145.04980	0.3
153.01807	100.0
153.02870	5.3
154.02153	2.1
163.03842	0.2
171.02861	4.4
191.03436	0.2
193.64084	0.2
197.25864	0.2
237.03935	0.3
297.06015	6.7
298.06418	0.3
315.07181	1.1
315.13931	0.2
336.41821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03940	1.4
57.03432	1.1
61.02914	0.6
65.73161	0.2
68.73701	0.3
69.03068	0.5
69.03422	6.3
70.79754	0.2
71.04975	1.0
71.42531	0.3
73.02884	0.3
79.01842	5.4
81.03407	11.3
82.03708	0.3
85.02893	4.9
93.44857	0.2
94.55630	0.2
97.02876	4.0
99.04439	1.2
103.34444	0.2
107.01308	2.2
109.02869	6.7
111.48838	0.2
113.60776	0.2
124.56950	0.2
125.02332	4.3
127.03897	6.2
135.00790	0.3
142.47966	0.2
143.03380	7.1
145.04929	0.3
147.45125	0.2
153.01807	100.0
153.02875	5.6
154.02126	2.3
171.02855	4.1
179.03377	0.3
181.63348	0.3
207.02931	0.2
222.04202	0.3
236.61079	0.2
297.06021	7.1
315.07153	1.1
315.13870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02369	0.6
53.03934	1.0
55.01853	0.4
57.03424	0.7
61.02898	0.3
69.03063	0.4
69.03424	4.9
69.24246	1.3
71.04983	0.4
78.32549	0.3
79.01846	4.4
79.34249	0.3
81.03410	7.0
85.02900	5.0
89.77426	0.2
97.02892	2.6
99.04465	0.9
107.01308	2.6
109.02875	5.4
118.13188	0.3
125.02347	4.2
127.03915	5.3
139.97369	0.2
143.03378	7.3
153.01814	100.0
153.02867	5.0
154.02148	2.7
165.07195	0.2
171.02878	5.4
175.65703	0.3
179.24820	0.2
181.28123	0.3
184.85092	0.3
255.05063	0.3
297.06012	4.1
315.07037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.3
51.02371	0.9
53.03934	1.1
55.01867	0.3
57.03423	1.0
61.02912	0.3
69.03426	5.4
69.38099	1.2
71.04980	0.5
79.01847	4.5
81.03414	8.6
81.03896	0.5
82.03745	0.4
85.02892	5.2
90.70090	0.3
91.05421	0.3
97.02892	3.4
98.23432	0.6
99.04424	0.7
107.01310	2.7
109.02871	5.7
119.06834	0.3
125.02336	4.0
127.03906	6.1
143.03389	6.0
146.63048	0.3
153.01817	100.0
154.02147	2.7
171.02875	4.9
171.37975	0.3
269.08032	0.5
277.13174	0.3
297.06076	4.5
310.81177	0.3
315.07196	1.0
315.12488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02380	0.6
53.03939	1.2
55.01862	0.4
57.03424	0.8
61.02902	0.5
66.56894	0.2
69.03417	4.7
69.08207	1.6
69.08621	0.4
70.03849	0.2
71.04987	0.6
79.01844	4.6
79.05466	0.3
80.02151	0.3
81.03409	8.8
83.33302	0.2
85.02894	5.9
85.03400	0.3
93.07019	0.3
95.04943	0.4
97.02887	3.0
99.04456	0.9
100.11236	0.5
101.81683	0.3
105.06985	0.4
107.01324	2.5
109.02864	5.5
109.06527	0.3
118.45084	0.3
123.00800	0.4
125.02331	4.5
127.03898	5.7
135.00790	0.4
137.05998	0.5
143.03374	8.2
153.01807	100.0
153.02879	5.8
154.02136	2.3
154.48985	0.3
171.02878	4.9
194.07236	0.3
225.23811	0.3
297.05978	3.5
314.27863	0.6
315.07114	1.3
315.12109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01595	0.6
50.11671	0.2
51.02371	0.7
53.03936	1.3
55.01862	0.5
57.03432	1.1
59.49988	0.2
61.02910	0.3
69.03062	0.3
69.03421	5.2
71.04970	0.4
71.42832	0.3
73.02901	0.4
73.65051	0.2
79.01841	5.4
81.03404	9.5
84.72197	0.2
85.02896	5.3
85.07290	0.2
95.08588	0.4
97.02883	3.5
99.04450	0.9
105.07046	0.3
107.01302	2.7
109.02863	6.1
123.00787	0.3
125.02334	4.5
125.03218	0.4
127.03901	6.3
137.05960	0.4
143.03377	8.4
144.03609	0.2
153.01807	100.0
153.02875	5.7
154.02132	2.6
161.06023	0.5
171.02859	4.4
208.05293	0.3
255.10098	0.3
265.08640	0.3
283.09601	0.7
297.06024	3.6
298.06961	0.2
315.07068	0.9
315.12323	0.5
315.19455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01583	0.2
51.02162	0.1
51.02362	0.6
53.03945	0.8
55.01854	0.3
55.05516	0.1
56.77842	0.1
57.03431	0.6
61.02927	0.3
62.07562	0.1
66.77425	0.1
69.03426	4.7
69.03801	0.3
71.04980	0.4
73.02892	0.2
79.01377	0.2
79.01848	5.4
81.03413	7.2
81.07054	0.2
85.02900	5.2
86.89405	0.1
91.05453	0.2
91.98890	0.1
95.08588	0.4
97.02886	2.7
99.04429	0.5
101.02422	0.1
105.06984	0.2
107.01302	2.5
107.08583	0.2
109.02872	5.4
111.49140	0.1
119.08549	0.1
121.10168	0.2
123.00785	0.3
125.02344	4.1
127.03905	5.3
133.10143	0.1
135.00763	0.1
137.03391	0.1
143.03386	7.0
144.03697	0.1
145.04926	0.1
145.84813	0.1
153.01814	100.0
153.02872	5.3
154.02139	2.3
154.03360	0.2
171.02866	5.2
191.03389	0.2
233.04472	0.1
255.05067	0.1
283.09628	0.3
297.05994	3.5
298.06448	0.2
315.07068	1.3
315.10803	0.2
315.12323	0.2
315.19476	0.2
315.23328	0.2
315.27054	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	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
52.03078	0.2
53.03939	1.0
55.01861	0.4
57.03426	0.9
61.02919	0.5
69.03425	5.2
70.50391	0.5
71.04969	0.6
73.02901	0.4
79.01845	4.8
81.03411	10.1
85.02895	5.4
89.96108	0.2
97.02892	3.2
99.04450	1.0
107.01317	2.3
109.02870	6.0
125.02333	4.7
127.03915	6.0
143.02260	0.3
143.03391	6.8
153.01814	100.0
153.02879	5.4
154.02138	2.4
171.02869	4.8
195.95583	0.2
209.04395	0.3
237.03906	0.4
297.06024	4.5
312.98822	0.2
315.07108	1.0
339.96875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02366	1.0
52.63156	0.2
53.03942	1.0
53.80854	0.2
55.01868	0.4
57.03423	0.7
61.02902	0.5
69.03069	0.3
69.03425	5.7
69.09090	1.4
71.04981	0.6
73.87343	0.2
79.01842	5.2
79.05507	0.2
81.03410	9.1
81.07050	0.3
82.75340	0.2
85.02900	5.2
91.05479	0.3
95.04954	0.2
95.08614	0.2
97.02889	3.3
98.22850	0.9
98.23520	0.4
98.97591	0.4
99.04429	0.9
103.98015	0.2
105.07062	0.3
107.01312	2.5
107.04934	1.0
107.08544	0.2
109.02869	5.9
113.04728	0.2
119.04913	0.3
119.08551	0.3
121.10097	0.3
123.00802	0.4
125.02340	4.0
127.03908	5.4
131.04945	0.3
135.00797	0.3
137.03539	0.2
137.05957	0.7
140.51822	0.2
143.03386	7.8
147.04405	0.8
147.07980	0.4
153.01813	100.0
153.02881	5.6
154.02135	2.1
157.06586	0.2
159.08009	0.2
161.05894	0.3
165.06943	0.3
171.02875	5.3
175.03825	0.3
175.07571	0.3
179.07091	0.2
190.39600	0.2
194.07236	0.2
195.08084	0.7
203.10683	0.3
213.90004	0.3
222.06651	0.4
223.07513	0.3
241.12254	0.4
255.10251	0.5
265.08514	0.6
269.08099	1.7
283.09702	1.2
297.05771	4.5
297.14767	0.2
297.22134	0.4
300.09537	0.2
315.07071	1.3
315.12161	1.1
315.15866	1.1
315.19495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03931	1.0
55.01863	0.3
57.03422	0.6
63.08688	0.2
64.70985	0.2
69.03425	4.3
69.63137	0.8
73.02890	0.2
79.01846	4.5
79.05469	0.3
81.03406	9.1
85.02896	5.1
86.79732	0.2
91.05511	0.3
92.50409	0.2
97.02881	2.9
99.04424	1.0
107.01289	2.1
109.02869	5.1
119.08591	0.3
125.02340	3.6
127.03903	5.8
137.05919	0.7
138.06242	0.3
143.02237	0.4
143.03375	6.9
151.07538	0.6
153.01810	100.0
153.02864	4.9
154.02151	2.3
155.18979	0.2
163.07523	0.5
171.02872	4.9
175.07567	0.4
181.23177	0.3
190.09500	0.3
194.07243	0.3
211.07573	0.2
237.09175	0.3
265.08578	0.5
269.11615	0.4
271.13309	0.9
273.14905	0.4
285.11124	0.3
292.29395	0.3
297.06009	4.7
297.11343	0.6
297.14871	0.6
315.07123	0.8
315.15402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02372	0.6
51.33288	0.2
53.03941	1.2
53.09314	0.2
55.01866	0.6
55.94334	0.2
57.03418	0.5
61.02895	0.4
69.03419	5.3
69.03793	0.3
69.54559	0.6
71.04975	0.5
79.01842	4.3
81.03406	10.4
81.61510	0.2
85.02889	4.6
97.02888	3.3
98.22663	0.4
98.97585	0.6
99.04438	1.0
107.01304	2.4
109.02864	6.2
113.32560	0.2
116.98621	0.5
123.00786	0.3
125.02338	3.7
127.03902	5.7
131.04898	0.2
134.99677	0.2
143.03374	6.8
145.04948	0.4
153.01805	100.0
153.02867	5.5
154.02147	2.2
161.05911	0.4
165.07001	0.3
171.02858	5.4
191.03407	0.3
194.07167	0.2
195.08063	0.4
223.07462	0.2
237.03987	0.3
237.09050	0.2
255.10225	0.3
265.08621	0.4
283.09592	0.8
292.94736	0.2
297.06012	4.7
297.11292	0.3
314.25415	0.4
315.07175	1.4
315.12289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
56.96555	1.1
57.03417	0.8
57.28586	0.4
61.02928	0.7
69.03417	4.8
70.23455	0.7
70.23796	0.9
71.04955	0.6
79.01845	5.0
79.05482	0.5
81.03410	9.5
85.02899	4.8
95.06053	0.7
97.02882	4.1
98.97601	1.4
99.04422	0.8
107.01318	2.3
108.84304	0.4
109.02847	4.9
116.98566	0.8
125.02308	2.9
127.03890	5.2
134.99689	0.5
137.38272	0.4
143.03392	6.8
144.03760	0.5
152.47293	0.4
153.01811	100.0
153.02875	4.9
154.02132	2.4
166.47873	0.4
171.02856	4.7
171.26915	0.4
171.40703	0.4
203.05290	0.7
246.45418	0.4
297.06024	4.2
315.10449	88.9
316.10724	2.9
339.32758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1928
Annotation	E-64c
Peak:m/z	Relative Intensity
57.07061	2.6
62.06081	1.1
69.26002	1.6
69.26406	3.1
70.31377	0.7
71.08626	1.4
98.22818	2.3
98.97605	1.1
111.53960	0.7
115.47776	0.6
116.98583	0.7
205.41232	0.7
234.92882	0.7
258.27890	2.6
314.34146	15.1
315.19278	100.0
315.34396	8.8
316.19577	5.9
316.32150	1.8
324.01169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2528
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
55.05518	21.6
57.07063	4.8
64.27231	4.6
67.05499	64.7
69.07055	30.7
69.61201	9.5
69.61605	11.3
71.04979	5.6
74.11963	4.7
74.79286	4.2
79.05481	17.0
81.07050	100.0
83.08602	14.7
85.06519	7.0
91.05418	11.8
93.07031	28.0
95.08595	84.0
97.10184	10.6
98.23169	14.5
99.08074	5.2
105.07007	10.4
107.08582	18.2
109.10146	46.3
114.01945	5.3
119.08598	11.7
121.10126	18.8
121.29240	4.4
123.11726	21.4
131.08531	6.6
133.10115	12.9
135.11676	13.6
137.13237	9.5
147.11716	12.0
149.13213	5.6
161.13275	9.9
165.12798	6.2
175.14760	6.1
179.14156	6.1
243.21199	9.1
261.22125	19.0
279.23175	37.6
297.24338	5.2
314.45523	6.3
333.22775	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	315.253
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.05509	22.4
57.07074	7.3
57.25297	3.3
60.04522	100.0
67.05497	65.6
69.07053	26.2
71.04990	9.5
79.05472	24.1
81.06578	3.9
81.07051	79.7
82.35428	3.9
83.08621	15.5
85.06539	6.1
85.54533	3.5
87.04461	12.5
89.41079	3.2
91.05470	17.0
93.07052	24.8
95.08601	70.4
97.06537	6.6
98.97583	15.3
99.08072	3.6
105.07031	8.0
107.08591	15.3
109.10155	35.6
116.98609	6.4
119.08549	7.5
121.10126	14.0
123.11703	14.1
131.08563	5.9
133.10187	8.0
135.11710	11.1
137.13219	6.5
145.10172	5.0
147.11708	8.7
149.13255	4.8
161.13243	8.4
165.12726	4.2
209.15253	3.5
217.86302	4.0
223.17026	4.4
243.21121	8.7
253.41457	3.6
261.22012	17.2
274.97458	4.9
279.23181	39.2
280.26224	9.5
283.09610	7.0
297.24182	10.0
298.27481	9.8
315.07480	4.4
316.28406	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96293	3.0
56.96557	38.7
61.87857	2.3
69.03418	16.3
76.31227	2.5
79.01864	4.1
81.03397	11.9
82.03729	4.4
85.02897	6.3
95.06078	9.2
96.06390	4.3
97.02888	6.3
98.97572	100.0
99.04424	7.1
109.02840	4.9
110.03217	4.7
116.98609	85.6
117.98930	3.4
125.02427	3.7
127.03900	6.2
128.04268	5.8
128.98592	4.9
130.93256	3.7
134.99654	35.7
136.06160	5.0
136.07559	9.3
143.03369	3.8
146.99619	4.1
153.00754	3.5
153.01802	76.3
153.02980	3.3
154.02153	70.6
154.03261	4.2
154.06091	3.7
154.08589	8.2
154.93242	4.7
156.03282	16.2
162.99152	3.6
163.03886	11.3
168.03314	5.4
172.02969	3.1
172.94217	15.1
174.04370	20.4
186.04390	40.6
190.95287	15.1
192.05310	3.4
192.98796	3.2
204.05388	32.8
208.96429	6.9
211.14406	4.8
212.14743	6.2
214.95399	11.7
225.04330	3.0
228.05377	16.3
232.96373	39.2
240.05424	3.3
246.06348	12.6
250.97505	12.1
256.96399	13.5
257.05057	3.3
271.21988	5.0
274.97424	91.5
275.04077	3.8
275.97617	3.0
279.00766	3.3
286.97366	7.5
291.97540	4.2
292.95056	6.0
292.98444	51.6
298.06302	8.9
310.95801	3.4
311.06400	3.4
316.07678	16.3
316.10699	6.9
316.13733	12.4
317.06177	9.5
317.11865	7.0
331.81854	2.9
333.96683	4.5
334.08295	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	316.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39773	0.6
56.96550	1.2
59.05705	0.6
59.94503	0.6
63.78335	0.7
70.02737	0.6
70.56451	0.6
71.40806	0.9
81.02341	0.7
81.74301	0.6
90.80817	0.5
98.97589	5.6
101.00837	2.4
116.98603	5.4
119.01916	9.1
120.01981	1.3
121.72927	0.6
126.78466	0.5
134.99669	3.0
137.02911	2.8
150.06087	0.6
158.99907	1.2
174.06097	0.8
176.99457	1.1
177.00940	15.7
178.01070	4.8
179.00687	3.0
179.31642	0.7
180.00723	0.7
182.99846	0.8
198.39960	0.6
201.00926	1.8
203.02487	1.7
212.92336	1.3
217.04068	2.6
219.01997	22.5
219.04077	1.4
220.02058	4.5
221.01791	3.8
222.01837	1.5
225.01054	1.8
230.93277	1.4
234.03564	1.2
234.99898	1.3
235.99939	1.5
236.99631	1.1
243.01936	10.0
243.04099	1.0
244.02173	1.2
248.94348	0.9
252.10439	0.7
252.94528	0.6
256.96579	2.8
258.96860	0.9
258.99863	1.6
260.00104	1.0
261.03043	100.0
262.03171	13.5
263.02856	7.3
264.03015	1.8
265.02612	0.7
272.94437	1.2
273.94601	1.3
274.06903	1.7
274.94266	1.1
274.97327	4.2
275.04462	3.1
277.00873	1.6
279.00754	3.3
284.00116	2.3
284.04730	1.3
284.99756	3.0
290.95514	1.0
292.07822	2.3
292.98221	1.9
298.06064	3.7
298.98080	0.7
301.01065	2.5
302.01227	2.5
303.00735	5.0
304.00998	1.4
305.00842	1.0
310.46133	2.2
310.95947	3.3
311.46136	1.4
311.95938	0.8
312.01077	0.7
312.98868	0.9
315.95322	1.8
316.07275	23.0
316.95276	1.3
316.98941	1.9
317.07407	2.5
328.89932	1.1
333.96121	1.1
334.95905	0.8
339.09073	0.7
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
50.04340	0.3
50.98618	0.3
52.48204	0.3
53.03955	0.7
55.01864	0.5
55.05512	4.6
55.53434	0.3
56.05038	3.5
57.03422	0.8
57.07076	2.3
60.04523	100.0
61.04857	0.6
64.64385	0.3
65.03923	0.3
67.05499	6.9
68.05021	0.7
69.07066	5.3
70.06595	0.9
70.07988	0.7
71.04981	0.4
71.08629	0.7
72.04523	1.7
73.02909	0.4
74.06081	3.1
79.05492	3.1
80.05014	0.8
81.07053	7.1
81.07507	0.6
82.06585	1.4
83.08614	2.8
85.10176	0.5
86.06074	0.5
87.04461	0.8
90.05544	1.2
91.05476	2.1
93.07050	3.5
94.06564	0.7
95.04959	0.5
95.08597	7.0
96.08130	0.9
97.06525	0.6
97.10168	1.3
100.07601	0.5
105.07025	1.1
107.08580	1.6
107.39632	0.4
109.10155	2.0
111.11709	0.4
116.07042	0.4
119.08611	0.9
121.10130	1.6
123.08020	0.3
123.11695	0.6
129.75514	0.4
133.10135	1.1
135.11694	0.9
137.09767	0.3
137.13223	0.7
161.13232	0.4
219.21336	0.3
250.25307	1.4
256.26395	0.4
262.25195	1.2
263.23697	0.4
268.26349	0.5
280.26331	11.8
281.26596	0.5
298.24374	0.4
298.27359	11.4
299.27676	0.7
316.28436	33.1
317.28806	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01878	0.5
55.05511	4.5
56.05035	3.9
57.03437	0.8
57.07072	2.0
60.04520	100.0
65.61549	0.5
67.05497	7.9
68.05032	0.5
69.07063	5.4
69.85300	1.5
71.05077	0.4
71.08628	1.1
72.04511	1.4
73.02884	0.5
74.06079	2.2
79.05479	4.3
80.05021	1.0
81.07045	8.2
82.06570	1.4
83.04993	0.5
83.08617	3.4
85.02930	0.5
85.10195	0.5
86.06049	0.5
90.05542	1.0
91.05457	2.5
93.07040	3.0
94.06583	0.7
95.08596	7.0
96.08160	0.7
97.06554	0.8
97.10155	1.4
98.22791	0.6
105.07050	0.8
107.08605	1.6
109.10146	2.6
110.09719	0.8
112.07552	0.5
121.10152	1.3
123.11700	0.6
135.11668	0.7
147.91899	0.5
165.31133	0.5
170.41547	0.4
189.16223	0.6
250.25310	1.0
262.25247	1.6
268.26437	0.8
280.26312	12.3
281.26639	0.7
298.27383	13.4
299.27713	1.1
316.28418	29.9
317.28717	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82088	0.3
52.58223	0.3
53.78789	0.3
55.05496	0.4
57.07074	14.5
58.06587	0.6
60.04525	3.9
69.07038	0.5
69.23824	0.7
69.24226	1.1
70.06590	14.8
71.08627	7.6
74.06105	0.4
81.07067	0.7
85.10178	4.0
87.04477	0.4
88.07626	24.5
95.08585	0.6
102.09156	0.5
106.08661	29.9
109.04887	0.3
109.10194	0.5
119.08661	0.4
130.04192	0.3
151.34178	0.3
152.36647	0.4
163.27904	0.3
254.70627	0.3
280.26410	0.4
298.27542	0.4
298.30719	0.6
316.32065	100.0
317.32410	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	317.0631
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
50.97314	4.7
70.12307	6.4
70.70104	4.2
115.99133	4.4
125.54827	4.3
277.02731	4.2
300.66422	4.4
317.06326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44687	0.4
55.01855	1.0
55.05500	0.6
57.03427	0.8
63.02380	0.4
67.05473	0.7
68.99782	1.9
69.03415	1.0
69.23119	1.1
69.23531	1.5
71.04967	0.6
72.33184	0.4
79.05473	1.3
81.03400	0.7
81.07030	1.1
85.02889	1.7
85.06522	0.7
91.05449	1.5
93.07030	0.7
95.04951	0.8
97.06506	1.0
105.07008	1.3
107.08604	0.5
109.06502	0.6
110.22980	0.4
111.04436	0.6
112.66034	0.5
115.05428	0.9
117.06995	0.7
119.08598	0.5
127.03892	0.6
128.06204	1.0
129.06996	2.4
131.04921	0.5
133.06421	0.6
133.10088	0.8
137.06007	0.9
141.07008	2.5
142.07726	0.8
143.08540	1.0
145.06387	0.6
145.10071	0.5
152.06200	3.5
153.01808	2.3
153.02921	0.6
153.06956	4.7
154.02122	0.7
154.07739	2.8
155.02286	1.4
155.08565	2.2
157.06464	1.1
157.10143	1.3
159.08076	0.8
163.07571	0.6
165.06982	7.4
166.07739	5.5
167.08563	2.5
168.05742	1.7
169.06470	2.8
169.10095	3.9
170.07150	0.6
171.07994	1.1
173.05991	1.0
178.07791	2.0
179.05026	0.5
179.07138	0.4
179.08539	10.7
180.05656	0.6
180.09206	0.7
181.06476	7.0
181.10101	8.5
182.07191	1.9
183.04402	0.7
183.08023	6.6
183.11426	0.5
184.05177	3.3
185.05928	1.3
185.09587	1.5
187.07477	1.8
188.08292	0.9
189.05507	0.9
189.06976	2.0
190.07704	3.4
191.08539	9.2
192.05734	0.5
193.06508	1.7
194.07246	16.9
195.07994	3.4
196.05180	1.6
197.05957	8.5
197.09613	8.6
198.06673	1.4
198.10077	0.6
199.07541	6.7
199.11098	0.6
201.09058	4.4
207.08025	12.8
208.08797	4.8
209.09595	63.8
210.06784	4.5
210.09814	3.2
211.07506	14.6
212.08179	1.4
213.05484	1.4
213.09009	4.4
214.06102	0.7
217.06659	0.8
217.08626	2.1
218.07283	0.7
219.08046	3.7
221.06017	2.8
222.06749	0.6
224.04623	1.2
225.05595	12.3
225.09061	42.5
226.06198	5.5
226.09579	1.3
227.07002	2.1
227.10588	2.4
229.05136	0.6
229.08630	9.1
235.07504	10.5
236.08273	2.2
237.05679	2.4
237.09070	40.4
238.06218	13.9
238.09406	1.6
239.06984	11.5
240.07726	0.9
241.08624	0.7
242.05772	1.1
243.06398	0.7
243.10144	2.0
252.04195	1.1
253.08566	100.0
254.09312	26.0
255.10106	16.2
256.10690	0.7
257.04276	1.0
257.05167	0.9
257.08054	9.3
263.07053	3.1
269.07999	1.1
270.05191	3.3
271.09622	14.6
272.09921	1.0
275.09106	0.9
281.08057	60.0
282.08420	2.9
299.09109	61.2
300.09549	2.7
317.10175	21.0
317.13962	1.3
317.20883	0.7
318.10504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.9
69.03426	0.6
70.71445	0.8
80.77581	0.5
81.03374	0.5
84.04490	2.5
91.70023	0.4
97.02904	0.5
107.08611	0.6
109.10127	2.5
130.90440	0.4
137.05994	0.5
138.05489	0.8
152.10690	1.0
153.01849	1.6
154.02098	0.5
155.02333	1.3
170.11755	1.0
188.12819	3.1
223.91460	0.5
240.50349	0.4
254.13780	0.9
317.12039	100.0
318.12308	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	317.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58212	0.2
55.01865	0.4
67.05491	1.0
69.03418	0.4
69.07057	0.8
70.06555	0.2
77.53414	0.2
79.05492	1.5
81.03403	0.5
81.07050	1.3
85.02884	0.3
85.06535	0.3
91.05476	0.9
93.07025	0.5
94.06550	1.4
95.04957	0.7
95.08597	1.0
97.02892	0.3
97.06525	5.9
98.06033	0.7
103.05452	0.3
105.07008	1.5
106.06541	1.0
107.07330	7.9
107.08564	0.7
109.02855	0.3
109.06503	0.4
109.10126	0.5
114.05530	0.6
119.08563	0.6
120.08131	0.4
121.06510	0.4
121.08942	0.3
121.10123	0.7
122.09653	100.0
123.09990	2.5
126.05466	0.3
131.04890	0.5
131.08551	0.8
133.10089	0.3
134.06012	0.6
135.06775	0.6
136.07559	8.5
138.05446	0.4
140.07039	0.5
142.07784	0.3
145.10048	0.6
147.11766	0.4
148.07539	0.4
148.11238	0.3
149.09663	0.3
150.05513	0.5
150.09129	14.8
151.09961	2.1
153.01814	1.0
154.02115	0.6
155.02324	0.9
157.10158	0.4
158.04482	0.4
159.11693	0.3
161.09569	0.3
161.13286	0.3
168.06517	2.2
176.10706	1.7
177.05495	0.6
184.80936	0.3
187.03873	0.7
189.09114	0.3
198.12785	0.4
201.09157	0.3
202.09026	0.4
204.10178	0.5
211.09915	0.7
215.15372	0.4
225.13974	0.3
226.12271	1.8
229.08669	0.4
231.02896	1.2
243.14882	1.7
244.13330	1.3
247.14392	0.7
253.08427	0.4
253.13358	0.7
254.11739	2.1
261.15936	1.2
271.14368	2.4
273.07629	0.4
273.11087	0.4
289.15427	22.6
290.15790	1.1
299.13861	1.1
299.20062	0.4
299.23520	0.5
317.11029	0.7
317.14871	6.7
317.21289	0.8
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
53.03932	3.4
54.15458	2.0
55.05502	7.0
56.89439	1.7
57.03430	14.6
57.07075	3.3
60.04515	1.9
62.68715	2.0
65.03930	3.0
67.05502	28.3
69.03421	4.9
69.07065	7.3
79.05491	7.6
81.03414	63.1
81.07052	28.3
83.04977	4.6
83.08619	5.7
85.06542	2.9
88.07619	3.1
91.05475	6.4
93.07050	9.6
95.04964	100.0
95.08602	17.0
97.06543	2.3
97.10191	2.1
99.08105	3.3
105.07021	15.2
107.04956	3.9
107.08575	10.3
109.06525	19.9
109.10165	17.5
117.06985	3.0
119.08584	9.7
121.06493	7.4
121.10103	9.8
123.04429	12.7
123.08051	7.0
123.11700	46.8
129.06956	2.5
131.04898	2.8
131.08577	4.3
133.06499	2.9
133.10121	7.1
135.08041	7.8
135.11690	4.2
137.09662	4.0
137.13261	11.1
141.05479	2.2
143.08569	3.4
145.06473	4.3
145.10156	5.1
147.08058	4.4
147.11699	10.7
149.09625	5.7
149.13258	2.4
151.11237	2.7
157.10141	4.0
159.11664	3.8
161.09612	4.1
161.13251	5.3
163.11180	2.1
165.12730	16.6
169.10069	1.9
171.08148	1.9
171.11641	3.2
173.09657	2.1
173.13402	2.7
175.14841	3.0
177.16347	3.3
179.07060	1.8
185.09540	2.8
187.11169	2.9
189.16420	2.0
195.17374	3.6
199.14879	3.3
201.12848	2.3
203.14481	2.0
205.15839	14.3
215.14212	2.8
215.18042	1.8
217.15857	3.8
229.12222	2.4
229.15799	1.9
239.17964	2.3
241.15858	2.4
243.17328	3.1
244.62314	1.8
245.15421	2.5
271.20490	5.4
275.59399	1.7
281.18863	3.8
299.20023	20.6
316.32178	3.3
317.21103	49.9
317.24710	6.0
317.32434	6.1
318.24286	4.4
318.30063	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01858	1.1
55.05507	0.8
57.03428	1.3
58.05988	0.3
59.04976	0.4
61.02929	2.4
62.64831	0.3
67.05483	1.2
69.03428	5.0
69.07054	1.5
70.90134	0.7
71.04959	0.5
73.02908	0.7
79.05457	0.6
81.03413	2.3
81.07082	0.6
82.06542	1.0
83.04955	0.4
83.08556	0.4
85.02406	0.5
85.02898	9.5
87.04465	0.7
91.03973	0.6
91.05473	0.5
93.07035	1.8
95.08589	2.0
96.04476	2.9
96.08109	1.8
97.02893	3.8
97.05264	2.6
97.06522	1.5
98.06081	0.4
99.04456	0.5
100.07603	1.1
101.14390	0.3
103.05507	0.4
109.02859	1.2
109.06513	0.8
110.06026	6.2
110.09679	3.9
111.08085	0.5
120.08112	1.4
121.06498	3.8
125.08363	1.0
126.08409	0.3
126.09145	10.7
127.03893	2.0
138.05518	2.7
138.09125	22.9
139.07530	1.8
139.09454	0.5
145.04976	0.9
152.10754	0.7
153.01797	0.7
154.02193	0.5
156.10182	100.0
157.01057	0.8
157.10559	2.5
163.03885	0.6
168.10167	1.1
180.10121	1.3
185.02107	0.8
198.11185	0.8
221.02951	0.8
222.11357	0.4
318.11722	0.7
318.15399	1.8
318.18909	0.5
337.83243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01873	2.9
56.96557	8.5
57.03434	5.8
61.02932	13.3
69.03426	22.4
69.31232	10.4
71.04979	2.4
73.02918	2.8
81.03412	7.3
85.02898	100.0
87.04424	2.7
91.03957	6.0
93.07047	4.7
96.88132	2.6
97.02879	21.1
98.97586	3.5
99.04454	5.1
101.02344	2.2
109.02872	7.7
110.06083	2.9
121.05614	3.3
121.06492	65.4
121.07321	4.3
127.03935	18.4
138.05501	17.7
138.09160	3.1
145.04955	39.9
156.06569	8.9
156.10159	4.1
157.01060	6.2
159.08128	2.8
163.03911	4.0
163.06033	5.0
175.21658	2.0
179.06998	2.7
180.08649	14.9
185.02141	3.0
187.07523	10.4
205.08629	6.8
217.03955	3.7
221.02968	3.5
229.08505	2.3
237.02916	2.6
240.08960	2.1
247.09700	3.5
319.07761	2.7
319.13586	45.1
337.07849	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	318.1811
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
65.03924	0.9
65.89932	0.7
67.05466	0.8
69.07049	1.7
69.79238	1.6
69.79622	1.7
74.02437	2.0
81.07036	0.8
83.05000	0.8
84.21695	0.7
86.09699	100.0
87.10033	1.6
91.05463	1.3
94.12722	0.7
95.04993	1.1
95.08611	0.8
98.22747	1.5
113.10784	1.3
115.05450	2.2
117.06998	1.3
118.06537	7.8
121.06507	0.9
130.06519	8.2
130.08609	0.8
132.08081	15.0
137.05949	1.2
141.10255	4.9
142.06558	2.7
143.07309	1.5
144.08083	14.1
145.10066	0.9
146.05995	36.0
149.05991	3.2
151.03865	4.4
153.01898	0.9
159.09178	23.6
160.07556	1.5
160.09537	1.0
170.06000	7.4
177.05426	4.7
183.07782	0.8
187.08707	1.4
188.07050	75.1
189.07413	3.4
189.09026	1.7
205.09712	52.9
206.10078	1.8
215.74977	0.8
222.04483	0.7
240.05035	0.8
255.53918	0.8
272.17606	1.6
273.15823	1.3
300.16895	1.0
301.12039	1.6
301.15320	9.1
301.18228	1.3
303.00934	3.1
313.18832	0.7
318.03290	6.7
318.06821	1.5
318.14459	0.9
318.18015	11.8
319.04028	1.3
319.18973	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	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01864	0.4
55.05507	0.2
63.50027	0.2
65.03922	0.5
66.09486	0.2
67.01847	0.6
67.05507	0.4
68.99781	4.8
69.03423	0.8
71.42426	0.2
79.01829	0.5
79.05484	0.2
81.03408	0.8
83.04935	0.2
86.09684	1.0
87.10040	0.2
91.05476	0.6
93.03417	0.4
93.07040	0.2
95.01334	0.2
95.04966	0.6
97.02875	0.9
105.03409	0.2
105.07040	0.4
107.08582	0.3
108.02063	0.2
109.02863	2.9
111.00781	4.9
111.01504	0.3
111.04418	1.1
115.05451	0.4
116.07729	0.2
119.01311	0.2
119.04930	0.2
121.02853	0.5
121.06485	1.0
123.08044	0.3
125.02341	0.6
126.03111	0.6
127.03906	0.8
133.02823	0.5
133.06453	0.4
135.04391	0.3
137.02309	5.0
137.05928	0.3
139.03876	1.0
143.03387	0.4
145.06493	0.3
145.10106	0.2
147.04391	0.6
147.06326	0.2
149.02376	0.5
149.05977	3.1
151.03896	3.4
151.05006	0.4
153.01805	25.3
153.05309	0.4
154.02165	0.7
159.04477	0.2
161.02318	0.5
161.05940	1.0
163.03897	0.4
165.01810	6.5
166.02652	1.2
171.03116	0.2
171.04375	1.0
173.05949	0.3
175.03896	0.5
176.04712	0.2
177.05455	4.7
179.03374	3.3
181.06421	0.5
183.02878	2.9
188.04616	0.2
188.06970	0.2
189.01775	0.3
189.05475	2.2
189.07245	0.3
193.01361	0.6
193.04935	0.3
194.02118	0.2
195.02882	1.5
199.03831	1.1
203.03348	1.9
207.02904	0.7
208.03531	0.2
209.04294	0.2
216.04315	0.2
217.04930	9.6
218.05348	0.4
219.02892	0.7
221.04341	0.9
227.03363	0.9
229.05000	0.5
231.02888	0.7
232.03751	0.4
235.02388	0.6
235.05974	0.6
239.01888	0.3
241.08536	0.2
244.03613	0.6
245.04420	10.6
246.04897	0.5
255.02893	1.6
259.02319	0.2
263.05444	1.4
272.03091	0.4
273.03903	8.5
273.11285	0.5
274.04303	0.4
277.12955	0.4
283.02493	0.5
290.04126	2.5
291.04807	0.3
301.03381	2.0
302.12625	0.3
319.04428	100.0
320.04770	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	319.1023
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
53.03942	3.2
55.01882	2.5
55.05508	24.0
56.96550	8.0
57.03433	2.7
61.02924	1.7
65.03928	6.9
67.01845	2.7
67.05489	6.1
68.78967	1.3
69.03426	41.3
69.03803	2.8
71.01379	1.5
73.00993	1.5
76.52203	1.6
81.03408	26.0
83.04974	100.0
84.05312	2.5
84.96021	3.5
85.02892	21.5
93.03401	6.8
97.02879	12.0
98.97592	4.0
99.04469	3.8
109.02869	19.4
111.04434	44.9
112.76468	1.5
116.98662	2.7
119.16267	1.4
121.02825	7.1
121.75739	1.4
123.04420	1.9
127.03898	13.6
129.05513	1.4
135.04407	1.9
139.03889	55.1
145.04904	3.1
151.03902	10.3
151.16487	1.5
157.04961	24.9
163.03877	3.1
178.70854	1.4
181.01711	1.8
183.03322	1.6
185.01109	1.8
193.01665	2.4
207.03313	5.4
211.02768	2.9
225.04375	6.2
235.02788	2.4
253.03897	3.0
255.01831	10.9
255.08614	14.9
283.08112	3.7
301.09268	4.5
309.17191	1.5
319.08099	4.7
319.13599	3.3
325.85699	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49947	9.6
55.05509	30.6
56.96568	63.3
64.10539	7.4
64.87108	7.5
67.05505	14.2
69.03421	37.7
69.32085	16.0
69.32491	34.0
71.05024	8.1
78.80876	9.3
81.03426	20.8
83.04971	100.0
85.02891	29.9
90.56931	8.0
93.07040	10.7
97.02896	15.2
97.06550	9.5
99.91482	8.3
101.00928	12.8
105.03420	10.9
109.02895	12.3
111.04421	50.2
111.08073	18.4
119.01907	22.1
121.02890	8.9
121.06537	12.6
127.03889	16.3
131.01877	14.2
135.04433	13.7
138.05473	14.8
139.03871	41.3
139.05774	8.9
139.07555	15.6
143.01846	18.4
145.02766	10.1
146.99568	9.0
149.05927	9.7
156.98056	15.1
157.01070	56.1
157.04961	19.3
157.08650	13.6
161.02956	70.2
163.03860	44.0
185.02097	48.7
203.04021	13.9
219.01762	10.5
221.02953	38.1
237.00696	12.9
237.02869	12.7
240.59880	9.3
247.04536	14.6
255.08508	9.9
301.11926	22.4
319.04593	14.5
319.12952	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
53.93637	3.2
55.05510	22.0
56.96562	100.0
61.07513	3.3
65.03940	4.4
67.05497	6.1
69.03426	35.1
69.07066	6.9
71.04979	4.3
73.02903	3.2
81.03410	20.4
81.74935	4.3
83.04471	5.4
83.04971	99.0
84.05326	3.8
85.02911	26.7
93.03388	7.7
95.04951	4.1
97.02892	10.8
97.06527	7.4
98.97614	5.2
99.59329	3.3
105.03381	8.5
105.04487	3.7
109.02866	11.0
111.04434	44.3
111.08110	4.7
115.07565	10.3
121.02867	8.1
127.03899	14.2
135.04433	5.2
138.05501	5.8
139.03883	44.0
139.05804	8.4
139.07553	7.9
145.02846	5.5
156.98112	19.8
157.01076	34.3
157.04974	21.6
157.06850	3.7
157.08572	8.5
163.03909	27.8
172.06606	3.6
174.99136	46.4
177.05540	4.7
185.02084	29.7
193.00188	6.1
209.01213	3.9
219.01872	3.8
221.02849	22.0
226.11368	4.6
227.11829	4.4
237.00670	7.9
247.04482	5.0
255.01695	8.5
255.08627	4.9
273.02899	10.2
301.11880	12.3
319.04254	5.7
319.13049	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1177
Annotation	Evofolin B
Peak:m/z	Relative Intensity
54.70562	1.0
55.01865	2.8
65.03932	2.6
66.54518	1.1
67.05492	3.2
68.99810	1.3
69.03410	1.7
69.18125	5.6
69.18530	2.0
72.08148	1.4
73.12239	1.2
77.03899	1.1
79.05479	1.6
81.03407	1.9
81.07087	1.2
83.04964	3.1
86.30899	1.1
89.03897	2.1
89.18457	1.0
91.05479	1.9
95.04956	5.8
95.08599	1.1
100.69941	1.1
103.05468	1.6
105.07032	1.7
107.04930	2.0
108.02094	3.0
109.02871	1.5
111.04446	2.4
117.03389	2.9
121.06473	5.1
123.04415	2.4
131.04945	1.2
134.03593	1.5
135.04355	2.1
137.02335	3.4
137.05946	7.4
139.03922	7.0
141.05458	3.0
147.04399	1.5
149.05978	71.3
150.06346	1.6
151.03906	89.7
151.05022	11.1
151.07483	2.5
152.04297	1.9
152.06203	1.5
152.44046	1.0
153.01816	4.8
153.05600	2.1
153.06998	7.5
161.05931	1.7
163.03906	2.9
163.07610	1.6
167.07060	1.3
169.01363	6.1
171.04364	1.7
175.03836	1.2
177.05466	100.0
178.05791	2.3
181.06467	11.0
189.05540	1.9
197.05957	1.8
198.06763	2.2
209.06010	3.4
213.09122	7.7
216.19952	1.3
217.05083	2.0
226.05995	1.3
227.10431	1.3
241.08476	6.6
245.04524	2.4
250.12032	1.0
269.08188	2.0
273.04044	3.1
273.11145	17.3
277.12906	3.2
283.09735	1.1
301.03360	2.2
301.10553	6.6
302.12421	2.4
319.00931	1.8
319.04462	39.3
319.08011	3.3
319.11987	1.9
319.15314	2.0
320.04944	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05274	1.2
55.05506	5.5
56.05016	4.2
56.96560	16.8
57.03440	1.7
57.07076	1.2
58.06599	1.8
65.03909	1.5
65.92500	0.9
67.05499	29.7
69.03429	2.9
69.07062	35.2
69.29238	5.9
70.06591	9.1
71.04980	4.6
72.04511	1.4
79.05475	3.3
81.03415	3.0
81.07046	7.9
83.04982	3.2
83.06093	7.2
83.08621	1.2
84.04498	86.0
84.08126	3.4
84.96015	6.0
85.02908	6.2
86.06036	1.3
91.05488	5.9
93.07042	9.1
94.06591	1.1
95.08596	41.4
96.08136	1.3
97.06480	1.6
98.09659	2.2
98.22737	2.4
98.97578	3.6
99.04470	2.1
101.07118	1.9
102.05530	4.7
105.03349	1.7
109.10149	79.9
110.06036	1.5
110.09692	2.1
110.10485	1.5
111.04372	1.4
111.08047	1.2
111.11700	9.3
112.07627	1.6
113.06016	2.4
116.98605	3.6
118.15881	1.3
119.08578	8.6
126.12765	3.1
129.06633	1.8
130.04993	32.0
130.06479	1.3
134.99637	3.0
136.11192	5.4
137.05931	1.4
137.09610	31.4
139.03893	4.1
140.92856	1.0
142.30302	1.0
146.05994	1.6
147.07610	2.7
149.06010	2.9
151.03882	6.8
154.12245	32.0
155.10667	10.1
156.06509	1.8
163.00650	1.4
165.02243	2.9
169.01640	1.6
172.13304	67.7
173.13631	2.3
177.02196	1.9
177.05508	2.9
181.01639	1.3
183.03278	5.1
190.14357	73.3
191.14645	1.5
193.01724	4.8
201.04350	4.9
203.02162	1.7
207.03271	12.3
211.02769	4.4
220.13254	4.1
225.04312	11.7
227.02263	1.4
235.02760	4.1
237.00644	3.7
238.14322	9.3
245.03317	1.7
253.03796	6.4
255.01727	18.6
255.16980	2.5
256.15408	5.5
271.04965	2.6
273.02780	6.1
277.12888	3.1
283.16562	3.2
284.14868	4.3
293.82733	1.2
297.02652	3.0
301.17545	100.0
302.15622	23.0
315.03824	2.1
319.04474	1.9
319.08167	1.5
319.15210	1.4
319.18597	40.0
320.18555	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	319.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05517	6.4
56.05034	5.2
56.96563	21.2
58.06619	3.3
67.05503	32.1
69.03418	6.6
69.07065	31.1
69.82121	2.7
70.06588	10.8
70.25654	5.4
71.04997	6.1
79.05527	3.4
81.07063	6.4
83.04964	4.5
83.06099	8.0
84.04500	77.1
84.96030	9.7
85.02887	6.6
93.07046	7.3
94.06565	3.1
95.04976	3.0
95.08018	3.5
95.08609	42.5
98.97585	3.4
102.05524	5.9
105.03382	5.0
109.10150	71.8
110.07104	2.8
110.10428	3.7
111.04391	2.4
111.11702	12.4
112.07592	2.6
112.53127	2.2
116.98611	5.5
119.08580	5.7
130.04980	30.8
130.06528	10.0
136.11206	7.2
137.09605	38.2
139.03911	4.6
146.06017	8.5
151.03911	11.6
154.12268	30.2
155.10701	6.3
156.06609	3.3
156.40401	2.5
170.05910	2.5
171.09088	2.5
172.13315	61.0
177.05484	3.3
181.01653	2.4
183.03346	8.0
185.01233	2.6
188.07101	14.1
190.14368	76.1
193.01697	6.5
201.04410	7.3
207.03339	19.5
211.02730	6.5
220.13293	5.8
225.04301	21.6
235.02739	6.5
237.00681	3.3
238.14406	9.1
243.07724	3.3
243.10039	3.0
245.03415	3.2
253.03882	7.0
255.01764	33.1
256.10895	3.4
256.15497	4.6
271.04926	3.8
272.10336	5.7
273.02896	9.7
283.16556	3.8
284.10370	4.4
284.14819	5.6
285.08783	3.2
297.02722	4.3
301.17551	100.0
302.11398	10.8
302.15649	17.5
315.03738	3.2
319.08609	3.1
319.13095	4.9
319.14609	3.1
319.18610	46.4
319.22278	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	319.1901
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
55.05493	5.1
58.21961	1.2
58.30812	1.4
67.05492	16.2
69.03409	3.8
71.04958	2.4
71.43170	1.4
79.05466	11.6
81.07046	17.0
81.93594	1.5
83.04977	2.7
83.59322	1.4
85.06525	2.3
87.34388	1.8
91.05456	9.2
92.26406	1.4
93.07024	16.7
95.04952	7.3
95.08588	24.4
97.06512	2.1
103.94025	1.7
105.07010	16.4
107.04928	2.3
107.08570	8.2
109.06468	6.5
109.10085	2.3
111.04364	2.0
111.08066	21.7
116.50760	1.6
117.06992	5.1
119.04927	2.4
119.08566	15.7
121.06476	7.9
121.10120	4.8
123.08047	100.0
124.08339	1.8
125.09660	1.9
127.07535	4.2
129.06989	4.0
131.08543	9.6
133.06479	4.7
133.10092	7.9
135.08070	9.4
135.11676	1.9
137.05959	3.7
137.09564	2.3
141.06943	2.6
143.08524	8.8
145.06433	4.5
145.10091	17.1
147.08006	13.9
147.11688	2.3
149.05966	2.3
149.09581	4.1
151.03926	2.2
151.11168	2.5
155.06000	1.6
155.08507	6.1
156.09218	2.3
157.10085	5.5
158.07237	3.0
159.07977	7.6
159.11710	2.1
161.09604	11.3
163.11159	9.9
167.08600	2.3
169.10081	3.0
171.07988	9.1
171.11571	1.8
172.08792	2.0
173.09595	26.8
173.13118	1.5
174.10226	1.6
175.07565	1.7
175.11099	3.7
177.09013	1.6
179.08517	1.7
179.10730	1.5
181.10077	4.7
183.08014	1.6
183.11697	3.8
185.09636	2.2
187.11057	2.5
189.09081	2.2
191.10641	22.9
193.10124	1.8
195.08015	2.0
195.11670	4.3
197.13205	2.2
199.11197	3.2
201.09009	1.9
207.11687	3.4
209.09764	1.8
209.11613	21.1
209.13229	1.9
210.10307	2.8
210.12051	2.0
213.12674	4.6
219.11548	2.1
223.11124	3.5
223.14680	3.1
225.12766	12.4
227.14288	3.1
231.13722	1.6
232.12442	2.2
237.16273	5.9
239.14258	2.2
241.15764	3.8
243.13753	8.1
247.14734	6.0
255.17360	4.9
265.15814	28.6
266.16135	2.6
283.16879	52.4
284.17194	3.3
286.15540	1.9
301.17950	22.8
301.21347	2.7
302.18192	2.4
303.97855	1.5
304.16629	24.6
305.17133	1.8
319.04330	2.8
319.18964	85.4
319.22720	4.2
320.19250	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	319.1902
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
50.51817	0.8
55.01855	3.5
55.05512	4.5
56.28442	0.8
67.05500	5.7
67.69917	0.8
69.03409	3.9
69.07063	5.9
69.99560	2.1
69.99911	1.4
71.04979	2.7
75.61042	0.9
79.05492	11.6
80.56928	1.0
81.03419	0.9
81.07051	14.4
83.04967	3.7
85.02882	2.3
91.05470	20.7
93.07039	15.3
95.04943	4.0
95.08613	6.7
97.02956	0.9
97.06533	9.1
99.04456	5.1
103.05460	1.9
105.07022	28.5
105.07737	1.4
106.07413	0.9
107.04936	2.7
107.08586	11.0
109.06512	5.7
111.08090	3.2
113.05998	23.3
115.05444	0.9
117.07000	6.5
119.08568	21.6
121.06494	6.3
121.10139	2.5
123.08076	3.1
125.05987	6.4
127.03906	0.9
128.06226	3.6
129.07001	10.5
130.07730	1.6
131.08548	14.2
133.06500	4.0
133.10117	18.9
135.08044	4.7
135.11671	7.9
137.09633	1.2
138.66234	0.9
139.07527	4.9
141.06992	1.4
142.07755	3.1
143.08548	19.2
144.09203	1.1
145.06479	2.3
145.10112	15.6
147.08028	12.1
147.11656	6.9
149.09567	2.3
151.07457	1.3
155.08534	6.1
156.09312	5.5
157.10118	6.3
159.08046	4.8
159.11714	4.4
161.09599	9.0
161.13242	8.0
163.11150	3.6
165.05482	1.2
167.08514	1.6
168.09343	0.9
169.10136	4.6
171.07962	1.7
171.11679	29.2
172.12050	1.2
173.09587	7.3
175.11224	3.0
177.09053	1.1
179.08492	1.5
179.10626	2.0
181.10077	4.8
183.11656	8.8
185.09546	2.1
185.13246	3.6
187.11154	4.6
189.12730	23.4
191.10640	2.0
193.10165	1.3
195.11671	5.3
197.13208	3.3
199.11182	4.0
199.14772	2.3
201.12743	2.3
207.11647	2.7
207.13605	1.4
208.12494	1.7
209.13193	2.5
210.10280	1.4
211.14738	1.2
213.12691	2.3
221.13260	2.4
223.11230	2.1
223.14786	10.7
225.12724	7.4
227.10741	1.6
227.14272	2.1
231.13722	1.1
237.16422	6.4
239.14401	1.9
241.12195	1.9
241.15880	6.7
243.13771	7.3
247.14803	3.4
255.13626	1.1
255.14804	1.2
255.17406	12.4
259.13358	1.9
265.15839	14.2
266.16107	1.3
273.18512	2.0
283.16904	42.0
284.17282	3.7
298.94470	1.2
301.17950	53.6
302.18356	5.1
319.19003	100.0
320.19302	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	319.1901
Annotation	Ubiquinone
Peak:m/z	Relative Intensity
52.56219	1.6
53.03939	4.5
55.01863	4.9
55.05501	10.4
57.03405	3.3
57.07068	8.0
57.35943	1.5
59.05011	2.3
65.03937	1.6
67.05497	20.9
69.03423	35.8
69.07059	15.3
71.01344	3.8
71.04979	4.2
79.05490	19.3
81.03402	21.6
81.07054	21.5
83.04967	14.8
83.08600	4.8
85.02895	17.8
85.06534	10.5
91.05468	18.2
93.03363	1.6
93.07034	39.0
95.01315	4.1
95.04949	15.0
95.08599	27.1
95.09148	2.8
97.02885	8.8
97.06527	6.3
97.10159	2.7
99.04456	1.6
100.83372	1.5
103.05442	2.3
104.64088	1.8
105.04517	1.8
105.07018	18.4
106.09450	1.6
107.04929	4.3
107.08575	42.7
108.08988	1.7
109.02882	5.7
109.06515	12.6
109.10143	21.4
111.04436	21.0
111.08057	2.2
113.05997	5.4
115.03942	2.5
117.06975	5.7
119.04935	3.8
119.08574	26.4
121.06488	7.0
121.10132	82.6
122.10399	2.1
123.08059	6.3
123.11691	4.3
125.05975	14.2
125.09621	1.8
127.03933	3.0
129.06969	4.3
130.07748	2.2
131.08575	13.1
133.06477	5.8
133.10106	20.1
135.08015	7.6
135.11678	24.9
137.05962	12.4
137.09596	15.0
139.03934	2.1
139.07503	3.3
142.07796	2.4
143.08545	7.0
145.06468	3.6
145.10110	13.0
147.08058	7.9
147.11661	13.6
149.05965	11.1
149.09624	6.0
149.13274	2.2
151.07542	7.2
153.09143	2.6
155.08542	2.1
155.10599	3.4
156.08359	3.3
157.10104	7.6
159.08055	5.9
159.11642	5.8
161.09613	5.5
161.13277	3.3
163.07492	8.0
163.11160	5.1
163.14786	17.5
165.09111	4.0
167.07108	1.7
167.08589	1.8
171.08008	2.2
171.11697	5.8
173.09644	9.8
173.13278	9.0
175.07555	13.7
175.11195	7.1
175.14822	4.3
177.09108	3.8
177.16362	3.1
181.10016	2.1
185.13251	3.3
187.11142	2.6
187.14853	5.8
189.09035	3.1
189.12711	3.9
189.16374	4.3
191.10666	11.0
191.14268	13.0
197.13167	2.7
199.11191	5.0
199.14790	2.8
201.09073	4.8
201.16306	2.1
203.10669	4.0
207.13776	1.9
209.15312	21.2
209.82191	1.6
211.14638	2.0
213.12691	2.2
215.14308	11.9
216.10547	4.3
217.12196	4.0
217.15865	6.2
219.10129	6.1
221.15402	1.8
223.16855	2.0
229.15843	3.9
231.13748	1.9
231.17400	1.9
233.15445	3.5
235.16812	3.9
243.13753	5.5
245.11699	4.7
251.16411	6.6
255.17235	2.2
257.15289	2.6
259.11014	2.3
261.14847	6.2
263.12784	2.7
273.12372	1.9
273.18448	6.9
275.16388	6.2
283.16895	6.0
287.89920	1.9
301.11844	4.5
301.17868	20.6
319.13153	3.3
319.19003	100.0
320.19388	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	319.1901
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
52.31419	0.7
53.03928	1.5
55.01865	2.4
55.05500	4.4
65.03917	0.7
66.66329	0.6
67.05499	7.1
69.03417	4.9
69.07070	5.7
69.47192	1.5
69.47580	1.7
71.04984	3.3
71.20791	0.7
77.03922	0.9
79.05488	12.0
81.03413	3.3
81.07049	16.3
83.04972	5.4
83.08596	0.9
85.02891	3.2
85.06538	0.9
91.05473	19.8
93.07035	19.1
95.04962	3.8
95.08591	9.4
97.06528	13.8
99.04440	6.3
101.02351	0.9
101.06017	0.7
103.05462	1.4
105.04500	0.8
105.07021	31.0
107.04942	4.8
107.07918	1.1
107.08585	13.8
109.02875	0.9
109.06508	7.8
109.10149	2.2
111.08062	4.3
113.05994	30.5
115.05418	1.5
117.07015	6.9
119.08568	24.0
119.09421	1.3
121.06497	8.4
121.10144	4.2
123.08049	5.6
125.05987	8.8
127.03900	3.5
128.06221	4.0
129.06995	11.6
130.07800	0.7
131.08557	16.1
133.06477	4.8
133.10115	19.8
135.08057	5.6
135.11682	11.6
137.05980	1.2
137.09625	2.2
139.07538	5.2
141.06950	1.7
142.07777	3.6
143.08548	20.1
144.08916	0.9
145.06493	1.8
145.10106	19.1
147.08043	12.3
147.11681	9.6
149.05939	1.0
149.09572	3.0
151.07501	1.6
153.07025	1.0
154.07742	0.8
155.08553	6.8
156.09331	4.2
157.10121	7.9
159.08028	4.3
159.11697	6.2
160.08838	1.0
161.09607	11.3
161.13242	9.3
163.11166	3.1
165.05492	2.2
165.06950	1.0
167.08571	2.2
168.09308	1.4
169.10109	4.7
171.08026	2.5
171.11670	36.4
172.12056	1.2
173.09610	9.4
173.11215	0.9
173.13133	0.8
175.07518	1.1
175.11197	3.4
177.09073	1.0
179.08574	2.0
179.10587	3.3
180.09232	1.0
181.10083	6.1
182.10896	1.8
183.08041	1.5
183.11664	9.2
185.09631	3.1
185.13213	2.8
187.11169	5.0
189.09026	1.3
189.12726	31.9
190.12996	1.1
191.10664	2.2
193.10124	1.7
194.10915	1.1
195.11687	6.3
197.09583	1.6
197.13277	3.9
199.11165	4.7
199.14775	2.1
201.12735	2.5
201.16331	1.2
203.10690	1.4
205.10173	0.8
207.11665	2.8
207.13655	1.4
208.12468	1.8
209.09639	1.3
209.13263	2.3
211.11096	1.2
211.14740	1.2
211.25388	0.6
212.12025	1.0
213.12740	4.0
213.16324	2.0
215.10849	0.7
215.14301	1.0
217.12180	1.1
219.11707	1.2
221.13248	2.3
222.13940	0.8
223.11174	2.2
223.14789	13.9
224.15146	1.1
225.12749	8.7
226.13062	1.2
227.10623	1.7
227.14296	2.9
227.17804	1.2
231.13695	0.9
233.00114	0.7
235.11073	0.8
236.11801	0.8
237.16360	6.3
239.14282	3.6
241.12286	2.0
241.15834	8.2
243.13727	8.6
245.15256	0.8
247.14951	3.1
250.13503	0.9
255.13763	1.5
255.17398	13.3
256.17728	1.1
259.13293	2.0
265.15833	15.1
266.16165	1.1
273.18478	2.5
283.16873	48.4
284.17303	3.5
293.57019	0.6
301.17944	58.3
302.18323	2.7
319.18988	100.0
320.19351	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	319.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.1
57.07073	100.0
69.07052	3.7
71.08626	71.5
74.27322	1.0
74.71948	1.0
79.05486	1.0
81.07034	1.0
83.08661	1.2
85.10177	46.1
86.10529	1.1
89.06026	70.0
95.08597	1.7
95.73540	1.2
99.11700	5.9
107.07060	3.0
111.11730	1.7
113.13265	2.8
133.08601	15.7
151.09648	31.5
163.86882	1.2
193.63493	0.9
203.32588	1.0
257.26782	1.3
319.22043	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.9597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	18.5
69.03413	1.5
69.50751	1.6
69.51097	4.1
74.93166	1.4
84.96031	1.5
85.02908	1.0
98.97573	72.0
99.97910	1.2
101.00878	1.6
102.96911	1.5
116.98608	34.8
119.01930	4.5
120.97853	1.0
121.01706	1.0
124.99118	1.0
128.98650	2.6
134.99631	11.0
143.00174	3.0
143.01907	1.4
145.03448	1.0
156.96651	1.9
158.99660	1.0
161.01286	1.3
161.02945	1.0
169.96371	1.0
172.94324	1.1
174.97653	10.1
177.00879	2.4
178.01025	1.2
181.01775	1.1
189.02441	2.2
192.98691	7.1
194.91254	5.1
194.92551	1.3
198.97748	4.3
208.96576	1.1
212.93135	16.1
216.98688	58.7
217.98869	3.4
218.91362	1.0
219.01874	8.5
220.02332	1.1
221.01797	1.8
227.91031	1.2
230.94363	15.7
234.99730	88.6
235.99910	6.7
236.92479	4.1
237.02756	6.0
242.97781	1.2
248.94452	4.4
253.00806	3.2
254.93875	42.1
255.03790	6.7
255.94092	2.2
256.97595	1.6
258.99796	2.4
261.03033	3.5
262.03281	1.7
263.02823	1.7
270.91193	1.7
272.94736	100.0
273.94763	7.3
274.93924	2.4
274.97507	1.0
277.00797	1.7
277.95343	1.2
279.03888	3.5
283.99979	1.4
288.92401	1.4
290.95422	31.8
291.95703	2.7
292.95062	1.0
294.97644	1.4
295.96109	1.6
296.95135	17.4
297.04843	5.9
297.95471	1.6
307.96857	1.0
313.93192	1.2
314.95926	36.3
315.00031	1.3
315.95996	3.1
320.88541	0.9
332.96283	3.1
336.93433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	80.1
67.05521	1.4
69.61556	5.2
71.04967	1.4
74.97616	3.3
84.04517	5.5
84.96028	29.1
88.13615	1.5
91.05489	1.9
95.08606	2.9
98.97572	10.2
102.97065	6.1
109.10148	4.5
109.59914	1.3
116.98626	14.6
120.98082	1.9
129.05392	1.7
130.05017	3.6
134.99640	12.5
144.99663	1.3
147.01265	2.2
150.99167	2.0
151.00620	1.7
153.00687	2.5
153.01839	2.0
163.00679	6.1
165.02213	11.1
169.00255	2.9
169.01720	4.6
172.13345	4.4
173.13702	1.8
177.02240	9.6
179.00145	2.1
181.00337	2.3
181.01678	10.8
183.03300	20.6
185.01228	4.9
187.02737	1.6
189.02318	3.0
190.14412	4.5
191.14777	1.7
193.01744	16.2
195.03305	14.3
197.01234	2.9
199.02710	1.6
201.04317	23.0
203.02274	5.5
207.03271	45.9
211.02765	23.3
211.04634	1.9
213.00789	2.9
217.01785	4.2
218.99715	1.7
219.05338	2.1
225.04335	59.2
227.02254	5.2
235.02756	17.6
237.00681	14.1
239.02324	3.5
245.03293	7.1
253.01260	1.6
253.03809	31.2
255.01738	100.0
256.02209	3.1
271.04892	14.1
273.02805	26.7
273.05585	2.9
276.05432	2.3
279.01596	6.9
297.02811	16.5
297.05624	3.9
298.02966	1.8
301.17685	3.2
302.17902	2.3
303.01404	5.7
315.03781	13.1
319.18594	1.6
320.18842	2.7
333.04974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78656	3.7
56.96555	10.7
61.02911	5.6
61.26208	3.5
69.03425	9.8
71.15199	3.4
72.91241	3.3
81.03401	11.2
84.96056	4.0
85.02895	37.0
90.76729	3.6
97.02851	6.0
98.97585	13.2
109.02875	100.0
127.03849	4.3
141.05450	90.3
145.04945	11.6
158.30534	3.4
162.61510	4.6
191.17720	3.7
195.05013	7.0
279.07355	5.7
303.01489	4.3
321.08380	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0248
Annotation	Luteic acid
Peak:m/z	Relative Intensity
51.67342	0.7
69.49969	3.1
87.20248	0.8
94.93013	7.7
96.26904	0.7
101.00879	2.6
113.00878	1.5
115.02455	0.9
119.01922	4.3
131.01862	2.6
132.76300	0.7
141.06584	1.0
143.01851	1.9
145.03477	0.9
155.01888	3.4
157.03470	1.0
161.03021	1.3
173.02954	9.4
175.98712	1.8
177.02382	0.9
185.02910	1.4
187.00932	1.0
191.04102	1.0
201.02406	20.5
202.02640	1.1
203.04100	1.1
204.97737	1.8
213.02422	3.4
219.03468	31.7
220.03764	1.5
221.05045	0.8
222.98834	4.7
231.03529	3.1
239.06224	1.2
241.01405	3.9
247.02933	1.2
249.04576	1.4
259.02530	1.0
261.04446	1.9
291.01309	1.6
303.01379	5.4
321.02475	100.0
321.09546	6.4
322.02664	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99936	1.6
69.03413	1.9
69.16140	3.4
69.16542	5.6
70.06604	2.2
84.04494	1.4
84.26328	1.3
94.92986	7.4
98.53017	1.4
98.97616	1.4
101.00878	5.9
106.80569	1.5
113.00831	1.3
115.02444	1.7
119.01911	22.6
131.01901	4.4
131.90573	1.4
133.03467	6.1
137.02945	4.4
143.01886	3.4
145.03522	2.6
157.03522	1.6
161.02933	6.7
168.99843	2.1
173.02983	2.4
175.04477	1.5
187.00897	6.5
189.02545	2.1
191.04063	2.1
196.39561	1.5
196.99290	3.1
201.01987	4.8
205.02052	2.8
215.00369	6.7
219.03532	2.7
222.98810	5.4
229.01775	3.9
231.02997	3.0
233.05069	2.5
241.01392	3.5
245.04996	1.6
247.02953	14.8
257.00790	8.0
259.02515	4.5
265.04083	2.5
268.90228	1.3
275.01907	5.8
277.03442	4.6
277.07770	1.7
285.00262	5.0
303.01349	32.0
307.05896	1.5
312.29745	1.7
321.02505	100.0
321.09351	14.1
321.12003	6.7
322.02734	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0602
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.00294	1.0
58.40030	0.5
59.10936	0.5
65.03925	5.5
65.28723	0.5
66.24948	0.6
67.01847	1.2
67.05484	0.6
68.99773	3.2
69.03416	1.4
69.64775	1.2
69.65182	1.4
70.06561	0.7
70.60905	0.6
71.66353	0.5
78.33607	0.6
79.01836	0.5
81.03400	0.6
85.06535	0.6
87.61128	0.5
90.78329	0.5
93.03391	2.0
95.04967	0.9
97.02863	1.8
98.23454	0.6
103.05417	0.5
105.03380	0.5
109.02871	3.3
110.12981	0.5
111.00751	1.7
111.04430	12.0
115.05457	0.7
117.07032	0.8
121.02853	15.6
121.03815	0.8
122.06004	1.5
123.04384	1.4
125.02325	1.3
127.03897	4.4
131.04919	1.5
133.02873	0.8
136.07574	1.0
137.02313	0.8
139.03883	49.0
140.04222	1.0
145.06447	2.8
147.04433	0.9
149.02324	66.6
150.03110	9.5
151.03897	3.6
153.01810	100.0
154.02158	2.2
154.08591	0.7
155.03467	1.0
155.04869	2.3
155.06024	0.8
159.04398	1.2
163.03896	3.5
164.06987	0.7
165.01823	1.1
167.03386	14.3
171.02831	1.0
173.05975	6.0
177.01797	2.0
179.03366	1.4
183.04401	5.5
185.05969	0.6
187.03902	1.3
191.03407	3.1
193.05020	0.6
195.02866	22.2
196.03246	0.7
200.04628	0.6
201.05429	9.0
205.04924	2.4
211.03911	0.9
219.02873	9.2
219.06377	0.7
229.04921	18.6
229.07150	1.0
230.05334	1.2
230.36668	0.6
239.03488	0.6
247.05997	30.0
248.06343	1.4
257.04434	7.6
258.04971	0.5
261.03943	0.7
265.91217	0.6
274.04684	1.9
275.05466	62.5
276.05768	3.1
285.12283	1.4
291.23691	0.5
303.01590	0.5
303.04913	15.8
304.05472	0.6
321.05939	7.3
322.06235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.5
60.36396	0.8
69.37736	2.0
69.38136	3.3
70.06590	1.0
82.99880	1.0
86.99374	1.0
89.00896	1.7
94.93018	3.9
101.00883	11.8
113.00865	5.2
119.01920	16.9
126.85239	0.9
131.01910	13.6
133.03473	3.8
137.02991	1.6
140.80424	1.0
143.01877	5.6
145.03487	2.9
149.02977	2.5
155.01884	14.4
155.50403	1.1
157.03500	2.7
159.01408	1.3
161.02980	5.2
173.02953	34.4
175.04568	1.6
175.98790	1.0
177.02470	3.7
183.01389	2.7
185.02975	4.6
187.00931	2.2
191.04070	1.7
196.99303	1.5
201.02437	55.2
202.02621	3.0
203.04013	3.2
205.01936	1.8
213.02428	10.0
215.00407	3.2
216.02380	0.9
219.03485	100.0
220.03699	5.4
221.05121	3.9
222.98901	2.8
229.01877	1.7
231.03505	10.0
233.05159	1.9
237.04643	2.2
239.06096	4.7
241.01384	1.5
242.05099	2.0
247.03049	3.4
249.04510	5.7
259.02554	1.7
261.04626	5.5
279.05710	1.4
303.01407	6.0
303.04721	0.9
321.02557	55.2
321.06580	10.2
321.09799	3.0
322.02957	1.7
339.07773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.5
56.96558	25.1
61.88597	0.5
69.03413	0.9
69.09158	0.6
69.51003	1.0
69.51382	1.5
74.97599	0.6
76.26996	0.5
80.41731	0.5
84.96029	11.2
85.02895	0.8
97.62466	0.6
97.96775	1.9
98.97572	100.0
99.97878	1.1
102.97052	1.2
109.02886	0.7
110.03148	0.7
110.97560	21.5
112.99124	2.2
114.94429	0.6
115.97795	0.7
116.98609	35.1
124.99109	3.2
126.96969	0.8
128.98592	22.1
131.00156	2.7
134.99658	8.2
140.98550	4.8
141.05438	0.7
143.00133	9.7
144.98071	4.0
145.02757	0.7
146.99623	8.3
149.01218	1.1
152.98587	10.2
155.00098	1.0
158.08167	1.0
158.99654	14.8
159.03264	0.7
161.01186	7.2
162.99152	2.7
165.00702	0.8
167.61826	0.7
170.99640	12.0
173.01244	1.6
174.99133	0.7
177.00682	15.2
177.04269	1.0
179.02245	1.0
189.00681	5.0
195.01758	1.5
201.00697	2.5
201.02229	0.7
201.04396	0.9
213.04462	0.6
219.01733	22.8
237.02780	34.6
255.03954	2.7
257.00739	2.1
259.02313	1.0
261.06448	8.6
263.62256	0.6
275.01703	1.4
277.03500	0.7
279.07480	85.7
280.07861	3.2
285.00327	1.0
286.00613	0.5
297.08533	16.0
302.09064	1.6
303.01306	8.1
304.01752	0.8
321.08527	55.0
322.08887	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	321.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12304	6.7
57.09582	7.1
58.70572	7.4
67.83237	7.1
70.11672	16.6
80.02009	7.1
90.29114	7.1
110.09384	6.8
240.10814	7.8
319.72583	8.5
321.02432	24.8
321.09448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	16.2
65.13793	4.7
69.99245	14.0
89.60610	4.4
98.23457	5.5
98.97563	49.6
101.00867	15.6
110.97562	17.8
113.00880	7.5
115.02428	10.0
116.98595	15.4
119.01914	27.4
128.98619	8.1
129.02226	42.0
131.00197	5.8
131.01888	10.5
131.32468	5.3
133.03474	11.6
140.45200	4.3
147.03311	18.2
155.01854	6.5
158.99634	14.8
159.03293	9.6
159.05051	5.2
161.03014	8.4
161.19435	6.4
168.99869	6.9
173.02939	6.6
177.00702	10.8
177.04282	26.0
187.00874	14.6
191.03922	8.1
195.05365	7.7
215.00314	20.3
219.01668	31.8
219.05211	8.1
221.05090	8.8
229.01967	4.8
231.07120	4.8
233.05045	11.3
237.02763	31.0
238.32133	4.7
247.02971	26.5
257.00775	6.4
265.03925	7.2
277.03497	5.7
279.09293	11.2
303.01300	20.7
321.08441	100.0
321.11874	34.9
322.09470	5.4
339.09579	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	321.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01337	0.1
51.02358	0.1
52.03146	0.1
53.03934	0.4
55.01864	0.8
55.05500	0.3
55.20818	0.1
56.99576	0.1
57.03421	0.3
61.02914	0.4
63.02367	0.1
65.03591	0.2
65.03933	3.7
67.05485	0.3
67.49297	0.1
68.99778	0.6
69.03059	0.2
69.03424	2.5
69.07040	0.1
69.29331	0.3
69.29755	0.1
71.01334	0.3
71.04986	0.3
77.03905	0.1
79.05476	0.4
81.02950	0.2
81.03407	2.2
81.07049	0.5
83.01336	0.1
83.04969	0.8
85.02896	1.6
86.15829	0.1
87.00814	0.8
91.05470	100.0
92.05801	2.6
93.07034	0.6
95.04964	0.2
95.08594	0.4
95.61320	0.1
97.02884	0.7
97.06548	0.2
99.04437	0.7
103.05440	0.4
105.03412	0.2
105.04505	0.1
105.07023	1.4
107.04935	0.2
107.08582	0.5
109.02871	1.8
109.06500	0.2
109.10138	0.1
111.04436	0.4
111.08056	0.1
112.01596	0.1
113.05969	0.1
115.05444	0.8
117.07005	3.7
118.07344	0.2
119.04917	0.5
119.08568	0.5
121.06477	0.3
121.10130	0.2
122.06014	1.1
123.08086	0.2
125.09608	0.1
127.03902	1.3
127.05401	0.1
128.06198	1.6
129.01831	0.2
129.06990	3.0
130.07356	0.1
131.04918	0.3
131.08539	1.0
132.33931	0.1
133.06488	0.5
133.10126	0.4
135.08012	0.2
135.11656	0.1
135.73668	0.1
135.98729	0.1
136.07578	1.2
137.09579	0.1
138.05487	0.2
138.26505	0.1
139.03902	0.2
139.07510	0.2
141.06961	0.8
141.09108	0.1
143.03360	0.1
143.08546	2.1
145.02820	0.1
145.06458	2.0
145.10104	0.6
147.04385	0.1
147.07997	0.5
147.11708	0.4
149.09564	0.2
150.05443	0.7
151.11171	0.1
152.06189	0.2
153.06947	1.0
155.03389	0.5
155.04897	0.8
155.06058	0.4
155.08554	0.2
157.06538	0.4
157.10086	0.3
158.05911	0.1
159.08069	0.5
159.11632	0.1
161.05945	0.1
161.09586	0.2
161.13246	0.1
163.07542	0.1
163.11226	0.1
164.82243	0.1
166.05003	0.2
168.06590	0.1
169.06479	0.4
169.10118	0.1
171.08029	2.1
171.11659	0.4
173.04533	0.2
173.05977	1.3
173.09621	0.3
173.13240	0.2
175.07535	1.0
175.11176	0.2
177.05457	0.3
181.06447	1.1
183.11708	0.2
187.07541	0.2
189.09064	0.2
189.12704	0.2
191.10655	0.4
197.13234	0.2
199.07535	2.5
200.07704	0.1
201.12704	0.1
209.13338	0.2
217.08548	1.5
225.16373	0.1
227.14359	0.2
235.09769	0.2
239.17966	0.2
249.16417	0.2
257.18845	0.5
258.11282	0.3
267.17435	0.6
275.20035	0.1
285.18271	0.5
289.08545	0.1
303.13290	0.2
303.19534	0.6
321.10211	0.2
321.20581	3.4
322.20801	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	321.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03945	0.7
54.49777	0.2
55.01870	1.2
55.05497	0.4
57.03431	0.4
60.48061	0.2
61.90120	0.2
65.03936	5.2
67.05487	0.7
68.99784	3.2
69.03423	2.4
69.38226	1.1
71.01345	1.1
79.05489	0.9
81.03415	3.9
81.07006	0.3
81.73402	0.2
83.04980	1.5
84.02124	0.6
85.02917	1.7
87.00821	0.8
91.05475	100.0
92.05786	2.4
92.06193	0.3
93.03406	0.3
93.07039	0.6
94.06567	0.3
95.04956	0.6
95.08611	0.2
97.02892	1.1
99.04459	1.0
103.05469	1.8
105.04513	0.3
105.07030	1.8
107.04948	5.1
109.02864	5.3
109.06489	0.6
111.04430	5.0
112.01578	7.2
115.05451	1.3
117.07014	4.6
119.04951	0.7
119.08577	0.4
121.04028	0.5
121.05633	0.3
121.06498	6.8
122.06026	1.8
122.07286	6.8
125.02332	0.9
127.03906	36.2
128.04230	0.8
128.06213	1.8
129.01791	0.3
129.06996	2.8
131.04950	0.5
131.08554	0.8
133.06488	0.8
135.08057	0.6
136.07578	1.7
137.05980	0.7
139.03905	4.4
140.04637	0.8
141.06993	0.6
143.03403	0.4
143.08537	1.8
145.06517	1.6
147.08055	0.9
148.08827	0.3
149.09601	2.0
150.05473	0.9
153.06967	0.9
155.03380	41.2
156.03714	0.7
157.06436	0.4
159.08002	0.7
161.05989	0.6
163.07518	3.6
166.09892	0.3
167.10651	0.4
168.06601	0.3
169.06471	0.7
171.08066	1.8
171.11673	0.3
173.05992	1.3
174.06206	0.2
175.07512	0.6
177.05365	0.3
181.06471	0.9
181.08594	0.7
187.07401	0.4
199.07510	2.0
208.49416	0.3
213.05502	0.3
215.07004	0.3
217.08621	1.0
243.06516	0.7
271.09509	0.4
275.09052	0.6
303.12695	0.3
321.13531	0.6
321.20731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97202	1.2
67.05498	14.4
69.07087	1.2
69.29107	6.4
79.05476	1.5
81.07055	2.7
91.05483	4.5
93.07014	2.8
94.06557	14.0
95.04932	2.5
98.23409	2.6
105.06992	1.9
110.50890	1.0
119.08540	1.3
122.06020	45.9
132.99954	1.2
136.07561	61.8
140.07056	2.5
162.05476	1.3
164.07053	100.0
165.07361	1.5
182.08115	55.5
183.08667	1.2
223.37817	1.2
246.67091	1.1
258.11124	1.4
258.51422	1.2
259.14508	1.8
265.15979	1.8
286.10867	2.1
304.11639	3.4
321.18457	2.6
322.93936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97202	1.2
67.05498	14.4
69.07087	1.2
69.29107	6.4
79.05476	1.5
81.07055	2.7
91.05483	4.5
93.07014	2.8
94.06557	14.0
95.04932	2.5
98.23409	2.6
105.06992	1.9
110.50890	1.0
119.08540	1.3
122.06020	45.9
132.99954	1.2
136.07561	61.8
140.07056	2.5
162.05476	1.3
164.07053	100.0
165.07361	1.5
182.08115	55.5
183.08667	1.2
223.37817	1.2
246.67091	1.1
258.11124	1.4
258.51422	1.2
259.14508	1.8
265.15979	1.8
286.10867	2.1
304.11639	3.4
321.18457	2.6
322.93936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88041	0.8
54.76384	0.9
56.31295	1.0
59.92255	0.8
69.80145	0.9
71.42978	1.1
74.37566	1.0
92.85658	0.9
97.54298	0.8
126.65712	1.0
133.94411	0.9
261.08969	1.0
321.16666	100.0
322.16922	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	321.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83322	0.7
58.29084	0.5
60.25209	0.5
66.02884	0.6
71.05330	0.9
80.94827	0.8
81.07008	0.7
89.36533	0.6
109.10946	0.6
139.84979	0.6
243.38284	0.6
289.08466	0.7
321.16687	100.0
322.17075	4.7
324.62637	0.7
342.64590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
51.36345	0.5
55.01867	1.6
55.05513	2.8
56.13245	0.5
57.03427	1.5
66.10523	0.4
67.05499	5.1
69.03417	1.4
69.07062	2.0
69.10249	1.2
69.10652	2.8
70.06570	0.6
71.04993	1.1
79.05481	7.7
81.03406	0.8
81.07048	11.1
83.04966	2.1
83.08595	0.5
85.02893	5.3
85.06550	1.0
91.05473	11.3
93.07033	15.6
94.51020	0.5
95.04967	3.3
95.08596	14.1
95.49566	0.5
97.06532	5.6
98.22690	0.9
99.04446	0.9
99.85003	0.5
103.05438	0.5
105.07021	11.8
107.04936	2.4
107.08584	11.1
109.06519	4.2
109.10141	3.0
111.04462	2.9
111.08083	2.2
113.05992	3.5
115.05461	1.5
116.06238	0.5
117.06999	4.4
119.08571	10.3
121.06487	5.6
121.10142	5.6
122.06000	1.0
123.08058	5.9
123.11707	0.9
125.06014	0.9
125.09630	1.2
127.07577	1.0
128.06194	1.0
129.06993	4.3
131.08548	9.9
133.06473	2.1
133.10106	6.3
134.06033	0.9
135.08025	3.4
135.11676	5.8
136.07574	1.9
137.09563	1.1
139.07506	2.4
141.06975	1.6
141.09082	1.9
142.07761	1.9
143.08551	8.3
145.06488	1.5
145.10110	13.5
146.10445	0.9
147.08038	3.9
147.11681	8.9
149.05962	0.6
149.09596	5.7
149.13229	0.9
151.07475	0.7
151.11171	0.7
155.08539	5.5
156.09332	1.5
157.10109	9.0
159.08017	1.9
159.11670	4.1
160.07642	0.8
161.05969	0.7
161.09593	5.8
161.13269	2.4
163.11131	3.9
164.07066	3.1
165.06995	0.5
167.07011	0.5
167.08566	1.2
168.09265	0.8
169.10135	4.2
170.10858	0.6
171.07983	1.3
171.11664	9.9
173.09605	5.7
173.13257	4.4
175.11154	6.0
177.05437	0.7
179.08505	0.8
181.08580	1.8
181.10075	1.3
183.11620	4.5
185.09581	1.0
185.13257	2.1
187.11188	1.9
189.12743	6.4
191.08884	0.4
191.10646	12.2
193.08516	0.9
193.10191	1.2
193.12056	0.5
195.11691	1.7
197.13257	3.9
199.11137	0.6
199.14836	3.1
201.08997	0.8
201.12708	2.3
201.16443	0.7
207.11707	1.6
209.13213	4.9
211.11172	1.2
211.14786	1.9
213.12761	1.1
215.14272	1.9
215.17984	0.9
223.09767	1.0
223.14865	2.3
225.12788	2.0
225.16281	3.9
227.06157	0.6
227.14326	6.6
229.15698	0.8
229.19460	1.7
231.13826	0.7
239.17934	8.3
241.15771	0.7
243.17494	1.3
245.15286	0.6
249.16316	5.0
257.18967	17.2
258.19409	1.1
261.14752	1.0
264.23340	0.6
267.17398	15.1
268.17694	0.7
275.20023	4.5
285.12189	0.9
285.18472	22.2
286.18936	0.7
303.13712	5.5
303.19495	21.4
304.19931	1.1
321.20566	100.0
322.20883	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	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
54.85704	1.2
55.05504	8.2
55.70218	1.4
56.14140	1.3
57.07056	4.2
61.35711	1.2
67.05479	5.5
69.07050	7.9
69.59025	1.2
69.59351	5.2
71.04977	1.9
79.05470	5.0
80.94831	3.4
81.07043	7.0
83.04967	1.7
83.08591	4.9
85.06526	2.0
91.05460	2.6
93.07018	5.1
95.04957	1.9
95.08611	12.2
97.06512	1.8
97.10124	2.0
98.23179	3.9
104.99266	1.5
105.07050	3.0
107.08570	6.8
109.06506	17.5
109.10139	4.6
111.08109	2.2
119.08568	4.7
121.10123	4.5
122.07233	1.4
123.08054	64.5
124.08384	2.1
131.08568	2.0
133.10117	2.9
135.08008	7.1
137.09589	4.6
145.23676	1.4
147.11655	2.3
149.09595	2.4
159.11635	3.2
162.90605	1.5
165.12729	1.5
179.14281	53.7
180.14630	1.6
193.15868	2.0
196.73573	1.3
261.09570	1.8
265.17911	15.7
303.23166	4.8
321.24182	100.0
322.15482	1.7
322.24506	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	322.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.0
56.05009	3.1
57.03416	3.1
57.55054	3.6
58.99582	5.9
67.05491	14.7
69.03435	18.2
70.06593	27.0
71.05000	6.9
71.41826	4.1
74.00671	3.3
79.05488	10.6
81.07049	13.2
83.04966	4.9
85.06541	3.5
88.02196	32.9
88.03999	7.4
91.05482	5.8
93.07040	13.4
95.04959	15.5
95.08601	36.0
97.06506	7.5
98.22990	3.6
99.04437	3.6
104.67526	3.4
105.07025	5.4
107.08573	12.6
109.06513	100.0
109.10151	11.0
109.47355	3.7
111.02669	5.3
111.08092	6.0
119.08558	12.7
120.08087	7.3
121.10139	11.0
122.02694	6.1
123.08072	9.8
125.09605	9.0
127.07547	4.8
131.05199	3.8
131.08504	3.5
132.01160	4.3
134.02710	11.9
135.08029	8.1
137.09636	18.8
139.11172	4.1
141.03670	8.2
141.09074	4.0
151.05804	4.4
153.09114	23.9
155.13670	3.7
157.08565	7.3
159.04707	7.2
160.07597	6.3
165.09114	12.2
167.10507	3.9
169.06828	5.1
171.10136	7.2
171.77379	3.4
173.02661	6.8
181.08586	6.5
183.10156	39.2
187.07925	7.7
197.06232	4.5
212.07364	4.1
215.07329	40.1
230.08389	5.8
233.08379	52.6
240.10504	5.2
241.08795	4.2
258.11679	5.1
259.09946	11.2
286.11075	6.0
304.01392	4.9
304.12067	32.0
305.10397	10.1
322.13071	66.8
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
53.03960	2.6
55.01867	10.1
55.05505	8.2
57.03428	10.2
59.60924	2.0
65.03934	2.5
67.05503	8.5
69.03423	13.2
69.07064	7.7
71.43354	2.2
79.05482	30.1
81.03397	3.4
81.07046	46.8
83.01365	2.8
83.04971	5.1
85.02905	8.6
85.18487	2.1
86.09760	4.7
89.33720	1.9
91.05478	15.7
93.07033	15.3
95.01318	15.6
95.04963	8.9
95.08611	4.5
97.02888	2.8
97.06516	24.8
105.07025	8.3
107.04952	4.5
107.08575	5.8
109.02898	3.6
109.06523	36.5
109.10120	2.4
111.04401	2.5
113.02401	4.4
117.06986	5.5
119.04927	4.9
119.08574	12.8
121.06503	7.6
121.10298	2.6
122.88427	2.7
123.08052	6.0
125.02431	2.5
125.06004	5.8
129.07034	3.9
131.08539	5.1
132.05788	2.3
133.06381	2.8
135.04385	3.0
135.08049	8.4
137.06004	7.0
139.03893	11.0
139.07535	2.5
141.01808	4.6
141.05424	2.8
145.06432	3.5
145.10117	4.1
147.08046	9.4
149.05952	5.0
151.07498	3.2
155.07051	6.0
159.02870	3.9
161.05946	3.7
163.07552	10.4
165.09114	27.1
167.07040	3.8
173.04445	2.4
175.07545	4.6
181.08665	10.5
183.10237	4.7
191.06976	5.4
193.08582	25.4
197.04469	10.0
199.09679	14.1
201.04001	3.1
209.08040	11.2
211.09630	13.2
219.06346	2.5
227.09143	10.4
237.07578	7.1
251.02243	2.3
255.08603	100.0
256.08875	4.0
273.09702	7.0
276.19360	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01863	10.4
55.05500	8.8
57.03430	13.6
60.50476	2.7
65.03950	3.3
67.05495	15.4
69.03425	21.9
69.07065	16.3
69.75754	3.8
69.76078	6.7
71.01353	4.4
71.05004	3.5
77.32247	3.6
79.05487	46.9
81.03440	6.3
81.06570	3.9
81.07050	61.5
83.04968	8.4
85.02906	7.7
86.09692	10.0
91.05475	25.2
93.07040	20.3
94.89828	3.0
95.01313	14.7
95.04964	16.2
95.08600	8.5
97.02901	5.2
97.06522	31.7
105.07015	12.5
107.04969	9.3
107.08578	12.2
108.08905	4.2
109.02857	5.8
109.06525	28.1
111.04427	8.6
111.08064	8.4
113.02377	3.9
117.07007	11.2
119.08584	15.1
121.06479	8.5
121.10153	3.6
122.06047	4.7
123.04440	5.5
123.08092	7.9
123.48400	2.8
125.02348	4.7
125.05985	6.3
129.06987	3.8
131.08644	4.2
133.06490	5.1
135.04373	3.2
135.08073	8.1
137.05962	11.6
139.03896	11.6
139.07516	6.7
145.06450	3.6
145.10126	6.1
147.08035	14.1
149.06009	5.9
149.09587	6.4
151.07600	5.3
155.07072	4.3
160.64262	2.9
161.05951	4.4
163.07538	10.9
163.58990	3.0
165.09097	31.4
167.06975	6.7
169.87543	3.7
175.07585	4.9
181.08580	9.0
183.10275	4.7
189.08989	3.8
191.07042	7.0
193.08578	24.5
197.04451	9.3
199.09637	15.3
209.08073	13.8
211.09657	16.9
224.52171	3.2
225.07220	3.4
227.09247	9.1
237.07597	5.8
255.08627	100.0
256.09088	3.3
262.09366	3.2
273.09595	5.9
276.19772	3.3
291.10187	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	322.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11472	0.8
57.48446	0.9
60.26625	0.9
61.64763	0.9
69.03419	2.6
69.41293	4.7
70.06583	1.6
74.73891	1.0
79.05475	4.2
81.03421	1.0
81.07046	1.4
83.04968	4.2
83.08601	1.1
85.02899	6.0
91.05454	2.2
93.96381	1.0
97.02854	1.9
105.07007	2.1
107.08582	53.7
107.91153	1.1
108.08956	1.1
109.06467	1.0
125.09614	100.0
126.09985	2.6
139.03929	2.1
140.04207	1.9
149.02324	1.4
150.02620	2.1
153.01808	3.5
154.02150	3.2
160.07536	2.6
162.78482	1.0
175.68797	1.1
183.69881	1.0
196.03201	1.2
248.06477	1.3
263.80328	1.1
276.05792	4.1
322.12952	1.9
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	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
57.07059	2.2
62.06086	100.0
67.05496	19.0
69.07056	4.0
74.93906	1.4
79.05481	11.6
81.07054	18.0
83.08591	1.5
85.06557	1.3
91.05468	5.9
93.07042	15.0
95.08592	15.2
97.10117	1.2
98.97578	2.5
105.07047	4.2
107.08564	8.1
109.10110	3.8
116.98630	1.6
117.06982	2.2
119.08572	2.4
121.10149	7.5
131.08536	3.7
133.10089	2.6
135.11662	4.7
144.10153	2.0
145.10117	2.0
149.13232	2.3
151.14784	1.5
159.11681	2.6
163.14885	2.3
170.28868	1.5
172.13335	2.2
173.13287	2.1
177.16417	3.3
216.10789	1.2
233.22734	1.5
240.19647	1.4
243.21109	3.6
261.22141	5.9
277.00772	2.1
304.26324	3.2
305.24786	3.0
322.27377	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	322.2738
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05501	3.7
57.07065	2.1
60.04522	1.5
62.06084	100.0
63.06402	0.8
67.05500	15.9
67.05862	0.9
69.07061	4.1
69.36579	1.6
69.36971	0.8
79.05486	11.6
81.07047	16.5
82.94559	0.6
83.08616	2.2
85.06531	0.7
88.48573	0.5
91.05463	4.8
93.07032	12.2
93.07598	0.8
94.64883	0.5
95.04956	1.5
95.08594	13.6
97.10081	0.7
98.97548	0.6
99.04469	0.8
99.08102	0.6
105.06998	2.7
107.08585	8.6
109.06549	0.9
109.10136	5.0
117.07027	1.3
119.08576	2.8
121.10148	6.4
123.11720	2.0
130.08655	1.2
131.08559	3.3
131.10245	0.6
133.10144	1.4
135.11674	4.0
137.13335	0.8
144.10260	0.8
145.10129	1.6
147.11682	1.5
149.13287	1.8
151.14804	0.9
158.11729	0.9
159.11707	1.7
159.44939	0.7
161.13277	1.7
163.14833	2.4
164.32513	0.5
164.91907	0.6
172.13330	1.1
173.13274	2.0
177.16415	2.4
180.97733	0.6
186.14941	0.9
187.14841	1.0
200.16553	0.8
219.21109	0.7
243.21042	4.9
252.19431	0.7
261.22128	5.0
264.22284	0.5
266.21390	0.6
277.00858	0.6
304.26404	2.5
305.24762	1.9
322.21313	0.8
322.27356	16.9
322.31165	0.9
323.27847	0.9
331.51062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
57.07072	2.0
60.04514	1.9
62.06084	100.0
65.03919	0.8
67.05497	16.2
69.07058	3.9
69.57180	2.1
69.57590	1.1
70.02945	1.0
70.31593	0.6
79.05487	12.3
81.07048	17.8
81.07500	1.5
83.08628	2.0
85.06555	1.0
85.10205	0.6
91.05466	5.8
93.07033	13.6
95.04976	1.3
95.08594	16.8
97.06519	1.6
97.10197	0.8
98.23476	1.2
98.97578	1.7
99.08107	0.8
105.07029	4.1
107.08581	7.5
109.06477	0.7
109.10158	6.0
110.53648	0.6
112.77641	0.7
117.07024	1.5
119.08573	2.2
121.10138	4.1
123.11723	1.7
131.08562	3.3
132.62494	0.6
133.10133	2.2
134.99603	0.7
135.11685	4.5
137.13295	1.1
140.03760	1.6
144.10181	1.3
145.10138	2.5
147.11684	1.5
149.09572	0.8
149.13245	2.5
151.14803	1.2
153.39845	0.7
158.11784	1.2
159.11674	2.0
161.13263	1.5
163.11198	1.1
163.14838	2.8
164.92162	0.9
172.13266	0.9
173.13283	1.9
177.16388	3.7
186.14961	1.3
187.14844	1.9
232.08701	0.6
243.21051	4.6
261.22113	6.7
304.26349	1.7
305.24649	1.3
322.27393	16.8
323.27640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
55.01847	0.7
55.05508	4.6
57.07064	1.0
60.04519	1.3
62.06083	100.0
63.06412	0.5
65.03927	0.6
66.02000	0.5
67.05497	16.2
69.07058	3.8
69.16338	2.1
69.16737	0.7
79.05486	10.6
81.07048	17.7
83.08624	2.9
85.06513	0.6
85.10130	0.6
91.05469	5.2
93.07036	12.8
95.04993	2.0
95.08598	12.4
96.08923	0.6
96.83979	0.5
97.06519	0.6
97.10173	1.7
98.06016	0.6
99.08104	0.6
105.07002	3.1
107.08582	7.7
109.10155	6.4
112.07746	0.4
117.06988	1.2
119.08603	2.2
121.10139	5.5
123.11693	2.8
125.09632	0.9
129.07001	0.5
131.08562	2.4
133.10139	1.5
135.08096	0.6
135.11711	3.5
137.09578	0.9
137.13271	1.1
144.10202	0.7
145.10150	1.9
147.11684	1.5
149.13277	2.5
151.14838	0.6
159.11754	1.6
161.13286	1.7
163.14841	1.5
172.13257	0.7
173.13275	1.7
177.16394	1.8
186.14906	0.9
187.14853	1.1
200.16438	0.9
228.19807	0.6
243.21136	2.4
252.19653	0.6
261.22134	4.2
273.18619	0.6
291.19531	5.4
304.26352	2.8
305.21359	1.1
305.24811	1.9
322.27356	15.4
323.27682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82520	1.6
57.03432	3.1
58.84245	1.9
61.02916	4.3
69.03431	11.4
69.24565	7.9
69.24966	4.6
72.96848	1.9
81.03408	5.7
85.02891	23.3
87.04456	2.6
91.05510	1.8
97.02907	7.0
98.22632	2.5
98.23192	8.4
100.16393	1.9
109.02872	3.3
119.01918	5.9
125.74711	1.9
127.03917	3.8
132.23744	1.9
137.02937	2.0
143.01102	2.3
145.04910	3.4
161.02092	67.7
161.03441	3.4
185.04199	88.8
203.05249	29.3
219.05118	2.0
233.06699	4.9
237.06082	3.4
251.07713	7.8
297.08008	2.7
323.07382	100.0
324.07632	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	3.3
61.02912	5.2
69.03414	13.1
70.11496	5.6
71.04955	1.9
73.02903	2.3
81.03396	4.4
85.02898	20.3
87.04458	3.3
91.03951	1.8
94.65078	1.7
97.02885	8.1
98.23143	3.9
98.34129	1.9
119.01926	4.5
127.03876	3.2
143.01064	5.2
145.04961	2.6
161.02083	59.0
169.24438	1.8
185.04192	91.2
203.05235	30.3
237.06137	1.9
237.53560	2.1
240.94550	1.9
251.07614	2.5
323.07343	100.0
324.07614	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	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	10.0
63.85321	3.8
71.01226	4.7
94.93017	8.2
98.97569	71.1
110.97569	16.6
116.98595	34.7
118.81532	3.7
128.98572	12.0
134.99635	7.4
154.19986	4.9
158.99615	28.5
170.99667	18.5
177.00671	36.3
189.00700	18.2
202.98770	5.0
207.01776	9.9
210.90739	10.4
219.01776	5.2
220.99617	12.3
236.88673	16.5
237.02789	12.6
248.89600	7.9
255.03871	6.4
323.07330	100.0
324.07648	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0912
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
55.01867	22.9
55.05530	0.9
58.41380	0.9
65.03925	3.2
67.05501	0.9
69.07073	0.9
71.47472	0.9
79.05478	2.0
81.07054	1.5
91.05484	4.4
93.07050	1.6
95.04960	2.9
95.08594	1.7
95.48994	0.9
97.10144	1.3
98.23602	2.1
98.97585	1.4
103.05482	1.8
105.03392	1.8
105.07005	1.5
107.04941	13.5
107.08595	2.5
111.04423	4.1
115.05451	4.0
117.07025	2.3
119.08575	2.2
121.02856	64.5
121.03925	5.2
121.06498	1.7
122.03200	0.9
130.04114	1.5
131.04904	6.9
131.08578	1.8
133.02846	2.7
133.06465	1.4
133.10146	1.4
136.38362	0.8
137.05962	1.3
141.06953	1.4
145.04628	0.8
145.06482	7.1
145.10161	1.6
146.07304	1.1
147.04474	0.8
147.11668	1.8
149.02321	1.5
152.06168	4.6
153.06999	4.8
157.06393	0.9
161.06010	2.7
164.06221	1.0
165.06972	17.4
166.07761	4.1
167.08522	5.1
168.05725	2.0
169.06490	2.2
171.04474	1.7
173.05945	7.5
173.13266	2.3
174.06752	4.7
175.07518	2.1
176.06215	3.1
177.06935	6.1
178.07751	33.0
179.08524	14.3
180.09184	1.5
181.06465	30.4
181.10042	1.1
182.07217	2.2
183.07957	1.1
189.06975	12.7
190.07747	6.6
191.08556	6.2
192.05704	2.5
192.08954	1.2
193.06444	4.6
193.09993	1.2
194.07251	19.5
195.08035	12.4
196.05164	0.8
196.08791	6.1
197.05934	2.3
198.06740	3.4
198.98868	1.1
199.69878	0.8
201.05406	2.2
201.12651	1.9
202.06149	1.1
202.07796	2.4
203.08582	4.0
205.06450	17.0
206.07254	20.1
206.09140	1.5
207.08035	26.7
208.08765	4.7
209.05960	12.9
209.09595	3.4
210.06709	2.6
211.07545	3.6
217.06537	1.7
218.07236	10.5
219.07994	5.8
219.13763	1.9
220.05205	4.3
220.08755	3.2
220.93861	0.9
221.06013	4.5
221.09578	7.8
222.06699	8.2
223.07500	17.1
223.09583	1.3
224.08296	21.0
225.08939	2.5
226.06262	1.7
231.08011	4.0
233.05986	3.7
234.06717	18.9
235.07498	16.9
236.08228	9.0
237.05492	6.6
237.09036	14.1
238.09598	1.1
239.10599	5.1
247.07515	2.6
248.04745	2.9
248.08371	4.4
249.05408	1.8
249.06316	1.3
249.09091	16.9
250.06293	2.0
250.09375	1.0
251.07031	11.5
252.07779	63.1
253.08311	3.7
262.06244	5.8
262.08881	0.8
263.07016	18.0
263.10883	1.8
264.07706	3.8
265.04996	8.4
265.08585	10.3
266.09311	9.8
267.10107	34.1
268.10501	1.9
269.07919	1.2
276.07819	2.3
277.05325	1.3
277.08551	14.1
278.05817	1.7
278.08878	1.6
279.06546	4.0
280.07257	25.0
281.07932	4.2
287.60934	0.9
291.06552	3.5
291.10132	6.6
292.07281	3.8
292.10544	1.5
293.04819	1.6
293.08087	4.6
294.08810	3.7
295.09601	31.9
295.12946	1.7
296.10147	2.4
305.08044	1.8
308.06720	7.5
309.07587	3.4
323.09122	100.0
323.12714	11.6
323.23599	1.9
324.09500	7.1
327.16714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01864	1.2
55.18399	0.8
56.31130	0.8
56.60729	0.8
69.58678	1.9
69.59064	3.2
79.05473	2.2
81.07047	1.6
91.05470	2.0
95.04948	1.0
98.22752	1.4
98.97566	1.6
103.05460	3.8
105.07018	12.6
107.04962	1.4
108.07993	0.8
109.06496	2.4
115.05451	5.0
116.98586	1.6
118.04104	1.0
121.06567	1.3
121.46874	0.9
122.03633	2.4
128.06204	1.4
131.04912	2.5
131.13847	1.0
133.06496	7.9
137.05962	26.4
141.07028	0.9
143.06030	1.4
146.03615	5.4
147.08055	1.8
149.05948	1.7
156.05757	1.3
161.05963	71.1
164.92090	1.4
171.07977	1.6
175.07460	1.9
178.09845	1.2
184.05157	1.7
189.06908	1.4
191.08528	5.3
192.09346	3.3
198.89816	0.9
199.07526	12.6
202.07756	21.0
203.08524	35.3
204.09138	1.8
205.06427	3.0
205.10063	1.4
206.62816	0.8
207.08035	1.3
213.07010	1.4
215.08632	2.5
219.08022	10.8
220.08781	9.9
221.09613	1.4
230.07271	4.9
231.08015	52.6
232.08752	9.2
233.05891	2.1
233.09598	1.4
234.06668	1.3
235.07495	1.9
235.11060	2.0
237.08972	1.4
243.08208	1.3
245.09689	1.7
247.07530	9.2
248.08290	24.2
249.08862	2.6
257.06042	1.3
257.71048	1.0
258.06686	2.6
258.99960	1.1
259.04755	1.9
259.07498	38.3
260.08295	27.1
261.05743	1.0
261.08975	2.6
262.09833	2.0
263.10611	23.1
264.10922	1.0
265.08563	2.5
273.08954	2.1
274.09900	1.4
275.06949	5.7
276.07785	20.4
277.01004	1.0
277.08551	4.5
280.11090	1.4
291.10120	100.0
292.10617	9.6
293.08032	5.5
295.13162	2.7
308.10379	4.8
323.12738	59.0
323.18591	1.9
324.13031	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	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.22152	0.9
53.15162	1.0
67.30683	0.9
67.53754	1.1
69.07091	1.3
70.06570	1.2
71.42321	1.7
75.20266	1.1
79.05479	1.4
81.07029	1.2
88.07600	1.4
88.65829	1.1
91.05415	1.5
98.97569	2.6
103.05458	2.4
105.03390	3.2
105.07023	10.1
109.06573	1.3
109.10198	1.3
115.05431	8.9
116.98537	1.4
128.06190	2.4
129.07111	1.4
131.04964	2.0
133.06497	7.1
137.05977	11.8
139.05424	1.3
143.05984	1.5
146.03653	3.7
146.07231	1.4
147.04439	1.3
149.05981	8.9
150.06340	2.2
161.05965	40.3
167.04926	1.6
171.08063	2.7
175.07547	1.6
177.05434	1.2
184.05107	2.2
191.08549	3.9
192.09242	2.0
198.98842	1.8
199.07544	8.1
200.20091	3.0
201.20450	2.0
202.07732	16.9
203.08531	24.3
204.08980	2.7
205.06429	2.4
213.07076	1.2
215.08548	1.7
219.08003	9.4
220.08861	8.4
221.09518	1.5
230.07272	2.8
231.08017	50.4
231.10361	2.5
232.08687	7.7
235.11267	1.9
237.09103	3.0
245.09735	1.4
247.07509	6.4
248.08273	19.0
249.08997	2.9
258.06650	3.1
258.99817	1.4
259.04755	2.4
259.07498	43.0
260.08261	19.5
261.09082	1.2
262.09851	1.9
263.10678	19.7
265.08701	1.6
275.07059	3.5
276.07813	14.0
277.01001	1.1
277.08484	4.2
290.09268	1.7
291.10117	100.0
292.10727	11.5
293.08029	2.8
295.13336	7.2
307.97141	1.1
308.10379	5.0
316.63928	1.3
322.23834	1.4
323.12735	50.1
323.18356	2.5
323.23935	2.4
324.12970	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	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04745	0.5
67.05482	0.5
69.08177	3.6
73.77537	0.4
79.05486	2.8
81.03409	0.7
81.05779	2.2
81.07043	1.3
91.05468	1.1
93.07036	1.3
94.06538	0.9
95.04962	0.8
96.08123	9.8
106.06528	1.7
108.08088	0.5
122.06017	1.1
124.07583	35.3
136.07567	53.1
137.05991	1.1
137.07870	0.8
138.09096	1.5
140.07071	1.3
144.88412	0.5
164.07053	100.0
165.07396	2.9
182.08121	75.9
183.08400	2.2
217.64304	0.5
231.08127	0.6
239.02200	0.7
248.08095	1.1
263.10620	0.8
291.10120	1.4
292.11072	0.5
298.59235	0.6
306.13199	0.6
323.12701	1.9
346.66980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99676	0.7
55.01874	6.9
55.05518	5.3
57.03433	26.6
57.07062	1.2
60.49215	1.0
60.50037	0.7
61.00056	0.9
61.00372	0.7
61.91748	0.8
62.06032	0.8
65.03944	1.5
67.05501	23.3
68.18774	0.7
69.03415	1.5
69.07057	3.1
69.46767	0.7
71.04990	4.6
76.24619	0.9
79.05485	15.5
81.03418	1.2
81.07053	17.5
83.04974	5.6
83.08606	3.2
85.02895	1.2
85.06049	1.7
85.06536	28.4
91.05470	12.4
91.89396	0.8
93.07036	13.2
95.04961	37.4
95.08599	5.8
95.88616	0.8
97.06518	3.0
97.10148	2.7
99.04456	0.8
99.08086	0.9
105.07024	8.5
107.04942	3.0
107.08592	7.9
109.06511	29.9
109.10139	2.3
111.04452	6.6
111.08062	2.3
113.05997	100.0
114.06359	2.0
117.07010	5.5
119.08562	7.9
121.06500	1.5
121.10126	3.7
123.08042	4.0
125.09627	1.4
129.06995	3.6
131.08556	8.4
133.06560	0.8
133.10129	3.9
135.08044	22.5
135.11659	4.9
137.09566	1.0
143.08609	4.1
145.10100	6.1
146.10370	1.0
147.08037	3.9
147.11685	1.3
149.09589	3.5
149.13254	1.9
153.09088	0.9
153.12724	2.4
155.08565	1.1
157.10075	3.1
159.08127	1.0
159.11681	3.3
161.09625	3.8
163.11180	4.6
165.09111	0.9
169.10164	0.9
171.11633	1.4
173.09512	1.4
173.13239	1.5
175.11113	1.6
177.12685	1.7
181.12177	3.0
183.11687	1.0
185.13251	1.0
189.12643	1.0
191.10637	3.4
195.13683	1.3
199.14766	1.5
201.12691	1.2
217.15900	7.4
219.13840	1.4
227.12784	3.8
227.18044	0.8
237.16357	1.1
249.14816	1.2
255.17451	2.1
273.18481	16.0
291.19510	45.7
292.19885	2.7
305.21066	2.0
324.28604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97543	2.9
53.03937	3.5
55.01873	17.1
55.05507	47.2
57.03441	8.3
57.07069	6.6
67.05502	83.1
69.03430	4.0
69.07065	27.9
69.28853	11.1
70.90507	2.7
71.04993	7.4
79.05486	68.4
81.03428	5.0
81.07055	82.9
83.01336	5.0
83.04976	25.8
83.08616	15.9
85.06537	7.1
87.30332	2.9
91.05478	59.9
93.07040	77.9
93.07604	5.2
95.04975	23.5
95.08606	50.3
97.06533	13.1
97.10178	6.5
99.04433	4.0
105.07014	51.4
107.04960	11.8
107.08588	50.8
109.06532	17.1
109.10142	49.7
111.04467	8.1
111.08065	21.5
115.05439	3.8
117.07006	13.7
119.04930	4.1
119.08567	25.9
121.06502	23.0
121.10123	20.7
123.04423	8.7
123.08067	6.6
123.11716	16.4
125.06013	6.3
129.07010	7.2
131.08563	20.7
133.06491	13.0
133.10118	83.3
135.08031	10.6
135.11668	16.1
137.05981	6.9
137.09621	6.4
139.07555	12.1
139.11183	3.5
143.08568	16.6
145.06497	3.2
145.10133	18.6
147.08022	15.6
147.11688	13.2
149.09584	13.3
149.13254	5.2
151.11166	61.5
157.10138	6.5
159.08046	3.0
159.11699	8.0
161.09616	16.1
161.13255	5.5
163.11195	6.0
165.09167	5.4
167.10683	3.3
169.10117	3.4
171.08020	3.8
171.11659	10.3
173.09557	4.1
175.11194	11.4
177.09061	5.4
179.10663	12.5
181.08624	4.0
181.12227	3.5
183.13831	16.3
187.11246	3.0
189.12790	10.3
199.11185	3.2
203.14250	5.6
207.13792	7.0
213.12743	3.8
217.12221	4.5
223.13243	4.1
235.13506	3.7
245.18919	17.7
249.18492	3.1
255.17453	7.8
263.20053	20.8
273.18445	44.4
291.19525	100.0
292.19775	5.2
305.21078	5.2
323.22159	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01870	6.9
55.05507	34.1
57.03430	1.9
59.04984	1.5
62.06078	2.3
66.19901	0.9
67.05497	20.6
69.03423	6.4
69.07061	17.3
69.94222	3.5
71.04964	2.2
77.85815	1.0
79.05483	19.8
81.03404	2.6
81.07049	19.4
83.04967	3.3
83.08618	15.9
91.05470	13.6
93.07029	13.8
95.04959	7.0
95.08601	8.1
97.02875	2.8
97.06530	3.0
97.10159	25.5
105.03344	1.2
105.07024	9.6
107.04950	4.5
107.08573	13.8
109.06566	2.5
109.10136	4.9
111.08057	2.5
116.46558	1.0
117.07027	4.7
119.04941	2.0
119.08560	8.6
121.06505	3.0
121.10166	3.1
121.51698	1.0
123.08035	7.0
125.09615	24.0
125.10506	2.1
129.07025	2.6
131.04880	1.3
131.08521	7.0
133.06491	3.4
133.10126	2.9
135.08038	7.9
137.09612	2.3
143.08493	2.3
144.09308	1.6
145.10114	3.9
147.08044	4.0
147.11687	2.9
149.09613	3.1
153.09097	4.1
157.10190	2.4
157.12169	1.2
161.09654	2.6
163.11209	1.7
165.09132	3.4
175.11166	2.5
189.11186	1.6
193.12192	1.5
203.12764	12.6
205.12137	1.2
223.13261	10.7
237.14734	2.0
249.14810	1.9
253.23291	1.3
255.17451	1.7
273.18451	10.3
291.19504	100.0
292.19803	6.2
305.21078	26.7
323.22214	6.9
323.25421	1.1
333.09354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76593	2.7
53.03942	6.5
55.01871	12.5
55.05505	39.3
57.03427	10.0
64.59205	3.1
67.05499	75.0
69.03420	8.7
69.07058	29.2
71.04983	8.1
79.05480	59.5
81.03433	6.0
81.07050	100.0
83.04971	33.6
83.08620	9.9
85.06536	8.0
91.05470	64.2
93.07039	65.3
94.50442	3.1
95.04967	16.9
95.08594	40.4
97.06541	12.6
97.10170	7.9
98.23528	6.2
99.04427	2.9
105.07031	59.0
107.04958	10.3
107.08588	44.7
108.18896	3.2
109.06487	19.4
109.10138	53.0
111.04436	7.7
111.08070	12.0
116.04485	3.2
117.07032	11.0
119.08581	18.0
121.06489	15.0
121.10114	20.9
123.04433	5.5
123.08086	8.8
123.11684	17.4
125.06007	5.0
127.30203	3.1
129.06981	5.7
131.08542	21.6
133.06499	11.8
133.10110	89.4
134.10435	6.7
135.08064	8.5
135.11708	12.9
137.05971	7.4
137.09612	7.8
139.07552	10.0
141.09050	4.2
143.08563	7.9
145.10091	15.9
147.08069	13.7
147.11707	12.9
149.09602	14.8
151.11159	80.5
157.10089	5.9
159.11766	8.4
161.09630	11.4
161.13165	4.0
163.11195	10.1
165.09125	6.1
171.11664	7.7
173.13344	3.9
175.11215	5.3
177.09093	10.2
179.10648	8.4
181.08563	4.9
183.13783	21.9
189.12770	6.5
191.36150	3.5
199.11200	3.5
216.91922	3.5
217.12169	5.6
229.14305	4.2
245.19012	14.3
263.20059	14.8
273.18433	41.8
291.19513	70.3
292.19882	7.5
305.21042	14.9
323.22128	47.0
323.25812	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	324.1955
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
51.02372	0.3
57.89998	0.3
70.03728	0.3
77.03924	0.5
79.05486	19.3
80.05793	0.4
91.05457	0.6
93.07033	2.0
95.04941	1.2
103.05460	37.4
103.36163	0.3
104.05756	0.8
105.04497	0.6
105.07017	2.9
107.04945	20.2
118.06534	6.1
121.06493	1.2
131.03954	0.6
131.04915	11.1
132.08083	2.0
133.08849	0.8
134.09622	0.4
146.09642	2.0
149.05957	0.7
160.11227	0.9
173.74792	0.3
176.14330	45.7
177.14656	1.1
206.55746	0.3
222.73987	0.3
233.14067	0.5
234.57068	0.3
280.13406	0.3
324.19540	100.0
325.19846	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	324.2166
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
54.28805	0.5
55.01852	0.6
55.05507	1.5
57.07067	0.7
67.05495	3.8
69.06706	0.9
69.07059	10.9
70.55710	1.0
75.00933	0.5
76.82062	0.5
79.05482	3.4
81.07041	7.6
83.04987	3.3
86.09693	100.0
87.10022	1.2
91.05466	7.8
93.07037	12.6
95.04953	2.6
95.08591	2.0
102.21401	0.6
105.07014	14.5
107.08580	2.8
109.06505	9.3
109.10143	1.5
111.08080	3.1
119.08560	4.6
121.10124	0.9
123.08085	1.4
128.10690	5.0
129.06976	0.8
131.08537	3.4
132.10182	31.0
133.06468	1.4
133.10104	16.9
134.10446	0.7
147.08076	0.8
147.11658	11.8
149.09627	1.5
149.13228	1.1
151.07564	2.7
151.11156	43.7
152.11476	1.7
156.10158	1.3
157.10155	0.8
165.12714	2.3
167.14317	0.7
175.11128	4.0
193.12219	4.4
203.87801	0.6
210.14857	0.9
222.14908	0.8
260.20050	7.1
278.21121	28.7
279.21436	2.1
306.20529	5.7
319.40344	0.5
324.17773	0.9
324.21609	16.2
325.22003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93148	0.6
61.10538	0.6
68.66811	0.6
70.91897	0.9
88.78613	0.7
111.22849	0.6
147.91586	0.6
162.02995	0.7
170.50812	0.6
185.04237	1.8
194.06061	0.7
273.72363	0.8
291.40179	0.8
309.98557	0.7
325.08905	100.0
326.09265	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69292	0.5
69.69682	0.6
79.84396	0.3
85.02873	0.4
98.23378	0.6
99.45697	0.3
103.78250	0.3
107.08608	0.4
108.56042	0.3
110.28489	0.3
121.10138	0.5
137.05966	0.9
161.05887	0.5
163.03860	0.4
163.07483	0.6
181.04836	0.3
201.09219	0.3
211.05733	4.6
233.09546	0.4
293.11551	0.3
299.66479	0.3
325.12512	100.0
326.12854	4.4
328.46823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1619
Annotation	Istamycin FU-10
Peak:m/z	Relative Intensity
53.03941	0.7
54.21093	0.5
55.05500	1.0
58.47369	0.6
64.67132	0.8
69.03423	0.8
69.07088	0.8
69.63800	2.8
77.38380	0.6
79.05485	0.7
81.03407	0.9
81.07061	1.2
84.04502	0.9
84.28460	0.6
85.02917	1.3
91.05488	1.9
93.07049	2.1
93.64350	0.6
95.08612	2.0
103.05463	1.9
105.07056	0.8
107.08607	1.8
117.03360	0.7
117.07058	1.1
119.08601	2.2
121.10199	1.1
131.04951	2.0
132.05666	0.8
135.04402	1.4
135.11687	1.8
137.05972	9.0
141.06992	1.6
143.08492	0.6
145.02904	1.3
147.08083	1.8
151.07565	0.6
160.05165	0.6
161.05960	1.6
163.03886	5.4
163.07545	3.5
163.11198	1.4
169.06436	1.2
175.07549	5.1
190.07698	0.6
201.09160	1.1
205.06665	0.8
205.10162	0.7
233.00838	1.6
233.09691	2.5
238.03719	0.7
261.09192	1.5
264.07858	0.9
265.12262	1.5
278.09454	0.9
293.11780	2.4
323.14236	0.7
325.16275	100.0
326.11459	0.6
326.16617	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	325.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
54.43033	4.0
55.01863	37.1
55.05507	53.5
57.03436	33.0
57.07058	4.9
65.03932	11.1
67.05502	91.0
69.03417	5.5
69.07072	30.0
71.41875	5.8
79.05490	83.6
80.06276	7.4
81.03413	15.7
81.06186	3.5
81.07046	84.7
83.04977	35.7
83.08625	7.8
84.07737	3.7
85.06545	6.8
91.05473	77.4
93.07035	59.7
95.04964	90.6
95.08601	47.9
96.12060	3.8
97.02882	8.0
97.06516	6.7
97.10167	14.4
98.07327	4.9
105.04524	4.9
105.07030	63.9
107.04948	100.0
107.08583	27.5
108.05758	4.8
109.06499	51.5
109.10125	32.5
111.04416	10.1
111.08067	6.1
112.05255	7.3
113.06000	7.0
115.05448	5.4
117.07003	36.2
119.04954	8.9
119.08565	39.1
120.05748	4.4
121.06521	16.6
121.10142	15.7
122.07255	38.7
123.04425	13.9
123.08069	12.4
125.06013	5.3
125.09642	9.1
128.06262	11.0
129.06982	13.7
131.08557	28.5
133.06509	22.7
133.10141	12.9
135.08061	18.7
135.11694	7.9
137.09586	43.3
141.07001	5.7
143.08542	13.1
145.06464	19.0
145.10106	15.5
146.11015	4.8
147.08034	40.1
147.11752	6.3
148.08704	4.7
149.05815	4.8
149.09596	4.8
155.08557	5.8
159.08026	7.1
159.11707	14.1
161.09578	31.5
162.10353	6.0
163.11206	10.1
165.09142	11.6
169.10078	8.5
171.11699	9.1
173.13277	12.4
177.12659	5.5
187.14867	8.7
189.12723	7.6
197.13290	6.8
205.15878	6.8
215.14355	13.9
233.15314	84.7
251.16382	12.8
261.15237	5.1
261.18369	5.6
273.18579	9.3
290.18707	16.4
305.18259	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	326.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04693	2.7
59.04995	56.5
61.02924	2.1
65.00352	1.2
65.41196	1.0
67.97205	1.0
69.03426	8.9
71.42473	1.4
73.02897	1.7
79.59915	1.2
80.78114	1.1
81.03392	5.9
85.02884	11.3
87.00835	2.9
87.04476	3.1
97.02866	10.2
98.98457	96.4
99.04443	1.9
101.05997	17.5
101.06570	1.8
105.01864	6.1
108.04502	1.2
109.02865	5.5
115.03903	11.0
116.99442	1.9
127.03896	8.7
129.05464	100.0
130.05766	1.9
145.04948	8.9
147.06509	24.2
147.07637	1.8
164.07114	2.3
174.99223	10.1
259.08145	1.1
273.09683	3.8
291.10715	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12973	0.8
56.32372	0.8
60.08156	2.0
60.99912	0.8
61.20191	0.8
66.69012	0.9
69.03425	6.1
69.18521	3.3
69.18942	2.1
75.57505	0.8
81.03406	4.9
82.01438	3.6
82.99825	0.8
84.03001	15.2
84.04491	4.9
86.00931	1.2
95.06068	6.2
98.98463	17.7
99.04444	2.6
100.02473	26.9
100.74460	0.9
101.00861	2.1
101.07137	1.4
102.04034	26.8
103.04114	0.9
104.01956	1.5
112.02473	1.6
114.04023	2.8
116.05585	1.6
118.03503	43.6
119.01905	4.3
119.03564	1.5
120.05073	5.2
123.04039	2.7
124.02464	2.0
125.05624	2.3
126.04013	2.6
130.03502	3.4
131.01910	2.4
132.05052	6.3
136.04547	16.7
139.02431	1.3
141.05069	30.0
142.03497	7.2
142.05173	1.6
143.06639	35.9
144.05020	6.4
144.06700	2.0
150.06108	3.8
154.13397	2.5
154.17194	0.8
157.03455	2.4
159.06140	26.4
160.04552	4.2
160.06334	1.3
161.03036	1.4
161.07695	41.0
162.06093	1.7
162.07855	1.2
165.05171	0.9
166.03487	6.2
169.04605	3.6
171.02495	1.7
173.02992	1.7
174.99255	1.3
176.04210	0.9
183.06131	3.7
184.04530	32.3
185.02966	1.6
185.04694	2.4
187.05615	100.0
188.05814	6.4
189.03639	5.6
189.05087	1.2
196.04497	1.5
196.08159	1.1
198.06137	1.8
198.12369	7.6
202.05579	9.0
205.06667	53.7
206.06812	3.6
211.05539	4.6
212.04007	1.1
213.03526	3.5
213.10818	1.1
214.05492	1.1
221.07620	1.8
222.06129	1.2
223.09160	1.5
224.07658	2.7
225.03624	1.0
229.06673	51.2
230.04979	3.1
230.06923	2.2
231.04587	1.6
239.08731	35.6
240.08974	2.6
248.06148	2.9
249.07098	1.6
257.09766	4.8
267.08228	52.7
268.08423	2.8
285.09274	45.2
286.09381	3.0
327.06604	3.8
327.10330	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	327.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65077	0.8
56.05041	1.0
60.08153	1.6
64.37577	0.9
69.03422	6.1
69.84987	1.0
69.85332	3.0
81.03410	5.4
82.01419	4.5
84.03001	12.5
84.04492	4.1
95.06075	8.7
98.98454	59.5
99.04451	2.7
100.02470	19.5
101.02542	1.0
101.05615	1.6
101.07136	1.2
102.04035	27.5
103.02469	1.0
103.04147	1.3
104.01967	1.4
112.02480	2.2
114.03997	2.2
116.05564	1.4
118.03502	46.2
119.01891	2.4
120.05070	4.6
122.02998	1.1
123.04036	3.9
124.02454	1.1
125.05531	1.8
126.04003	2.2
130.03496	3.4
132.05069	8.2
136.04539	20.3
141.05074	33.6
142.03494	4.4
142.05287	1.7
143.06644	39.0
144.05042	8.3
144.06802	2.0
150.06123	5.0
153.01814	3.9
154.13383	4.3
157.03424	2.2
159.06129	33.1
160.04535	4.2
160.06221	1.3
161.07693	52.9
162.06165	1.9
162.07872	2.8
165.05040	1.1
166.03467	5.7
169.04591	4.4
174.99170	6.7
183.06120	3.5
184.04529	27.3
187.05614	100.0
188.05756	5.1
196.04564	2.3
198.06078	1.6
198.12393	9.0
202.05583	11.5
205.06677	71.2
206.06789	4.3
211.05629	4.4
212.04146	1.0
214.05621	1.8
221.07690	1.9
222.05983	1.4
223.09236	2.4
224.07632	2.3
229.06662	40.5
230.04968	2.0
230.06976	2.1
239.08714	37.8
240.08876	2.6
241.35791	1.0
248.06108	3.6
249.07092	2.0
257.09869	5.6
267.08215	52.3
268.08505	3.6
285.09265	44.2
286.09503	3.1
288.42874	1.0
327.10431	3.9
341.24808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71129	0.5
69.71442	0.9
69.71828	1.0
98.98453	48.4
105.07068	0.5
116.99497	0.8
137.52052	0.4
165.08878	0.7
174.99207	6.2
201.74826	0.4
225.76717	0.4
251.00005	0.9
256.38510	0.5
284.88644	0.4
327.14093	100.0
328.14423	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	327.1412
Annotation	His Asn Gly
Peak:m/z	Relative Intensity
54.29688	0.4
60.36805	0.3
66.27010	0.4
69.83628	1.2
69.83997	0.4
70.13464	0.3
72.11658	0.3
72.35125	0.3
78.11682	0.3
81.03413	0.3
84.54780	0.3
93.06995	0.5
95.89139	0.4
98.98457	59.7
109.02877	0.4
111.53500	0.4
116.99487	1.2
138.41829	0.4
147.04370	0.6
165.08858	0.8
174.83054	0.3
174.99196	6.9
184.32413	0.3
250.99922	0.8
327.14105	100.0
328.14462	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	327.1435
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
53.03934	2.0
55.01859	0.9
55.05501	2.7
57.03424	1.3
58.02954	0.4
65.03940	0.3
67.05495	27.1
68.05862	0.3
69.03420	16.8
69.07057	1.7
70.01052	0.3
70.41845	0.4
71.04980	2.3
71.42540	0.5
77.01598	0.7
78.03596	0.4
79.05489	3.3
80.31070	0.3
81.03405	23.4
81.06568	0.8
81.07045	13.7
83.04982	0.5
85.02884	3.1
87.53747	0.3
91.05482	2.2
93.07021	3.5
95.04959	3.9
95.08599	7.0
97.02882	3.3
97.06506	0.7
98.23125	0.4
98.98452	96.1
99.04441	4.5
99.08098	0.6
100.11272	0.8
105.07043	0.5
107.08585	2.3
109.02866	13.2
109.06507	2.4
109.10139	50.9
110.03207	0.6
110.10481	1.4
110.79308	0.3
111.04430	0.5
114.09153	1.3
115.09496	0.4
116.99500	1.6
119.08566	3.1
121.06464	0.3
121.10131	1.1
123.04434	0.5
125.05964	1.8
127.03020	0.8
127.03908	8.7
127.07490	0.3
137.05969	1.3
137.09593	100.0
138.09953	2.5
139.11130	0.8
142.08630	1.1
147.04375	0.7
147.08022	0.9
151.03932	0.6
155.10654	6.3
155.30525	0.3
161.05818	0.5
165.09091	72.9
166.09422	1.9
168.13832	0.6
169.14130	0.5
174.99207	11.4
175.03856	2.3
183.04803	0.5
183.10150	3.9
183.29103	0.4
201.11171	3.0
205.04840	0.7
207.13750	1.2
235.07639	0.4
239.10941	0.4
240.00386	0.4
250.99898	1.7
253.08472	0.5
267.12277	0.8
277.08716	0.4
281.14001	0.5
295.09375	0.4
309.13345	4.3
327.08325	1.2
327.14612	10.0
327.24811	0.6
328.14938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01857	3.8
55.05509	13.2
57.03439	3.0
57.07073	9.1
67.05503	25.3
69.07069	14.1
70.25645	3.7
70.25996	3.0
77.03924	6.4
79.05489	17.0
81.07042	25.2
83.08625	6.7
85.06534	3.8
91.05471	30.9
93.07039	55.6
95.04961	68.4
95.08598	42.5
97.06512	17.2
98.98455	100.0
105.04504	9.8
105.07018	48.9
107.08581	31.1
109.06516	10.2
109.10140	21.0
115.05472	4.6
116.06200	4.3
117.07001	14.7
119.08569	44.5
121.06486	9.6
121.10128	23.0
123.08051	9.4
123.11734	7.4
129.06999	9.0
131.08560	21.4
133.06540	2.9
133.10130	34.8
135.08052	10.7
135.11681	11.0
137.09613	2.9
142.07785	6.3
143.08577	14.0
144.09337	4.7
145.10123	32.8
147.11699	12.8
149.09593	3.9
152.06183	12.6
153.06937	9.9
155.08595	6.8
156.09308	6.3
157.10112	26.7
159.11668	29.5
161.09583	13.3
161.13164	3.2
163.14807	3.6
167.08540	3.4
168.05699	6.0
169.10120	10.6
170.10919	3.0
171.11682	14.3
173.09586	3.0
173.13197	6.9
174.99237	12.9
175.14801	12.8
179.08508	5.3
181.10126	2.7
182.10941	3.7
183.11691	10.7
185.13246	6.4
187.11234	5.1
187.14810	13.8
195.11691	5.4
196.12463	3.2
197.13321	5.8
199.14821	10.6
201.16353	3.3
207.11655	4.2
209.13306	6.9
211.14827	7.7
215.02554	5.7
215.14474	3.1
217.15825	4.2
225.16283	3.3
227.14346	4.6
228.09315	5.0
233.03574	17.3
235.14813	3.6
251.04745	7.3
251.46736	2.7
271.20502	3.3
309.22089	6.6
327.07745	62.5
327.15799	3.1
327.23123	19.2
328.08167	4.7
328.23309	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70037	1.1
54.43186	1.1
55.05504	7.0
57.07064	4.0
59.04999	1.7
64.48779	1.1
67.05499	12.0
67.58936	1.1
69.03438	1.5
69.07063	6.4
71.04980	1.2
74.06049	1.4
74.09370	1.2
77.03909	1.5
79.05494	10.3
80.49750	1.2
81.03402	2.4
81.07051	12.9
83.04998	1.5
83.08611	4.3
85.06524	2.4
91.05473	16.0
93.07036	35.2
95.04964	40.2
95.08599	26.2
97.06510	10.7
98.98458	100.0
105.04480	1.8
105.07018	23.7
107.04987	2.0
107.08582	18.0
109.06505	5.6
109.10173	10.8
115.05424	2.0
116.99541	2.8
117.07017	6.9
119.08575	27.1
121.06491	9.2
121.10134	16.1
123.08076	6.2
123.11679	3.6
128.06229	1.6
129.07016	4.6
130.07829	1.8
131.08545	9.6
133.10109	19.3
135.08087	5.9
135.11685	4.8
137.09601	1.7
141.06999	1.2
142.07750	5.5
143.08562	8.5
144.09297	4.0
145.06454	1.3
145.10115	19.6
147.08017	2.3
147.11684	9.8
149.09608	2.4
149.13312	1.3
151.11176	1.5
153.06966	2.1
153.12866	1.4
154.07709	1.4
155.08490	3.1
156.06447	1.3
156.09329	3.4
156.66464	1.2
157.10109	17.2
158.10905	2.9
159.08046	2.0
159.11668	17.8
161.09634	6.1
161.13226	3.7
163.11195	1.4
169.10127	6.3
170.10947	1.5
171.11650	6.8
173.13263	7.1
174.13947	1.3
174.99220	12.3
175.14822	10.5
179.08487	2.1
181.10139	2.1
182.10832	2.2
183.11705	5.7
184.12349	1.4
185.13258	4.4
187.11223	2.4
187.14804	6.6
189.16299	2.2
194.10796	1.4
195.11690	3.3
197.13184	5.9
199.14821	7.0
201.16386	3.6
205.15822	2.0
206.10893	1.4
209.13226	4.7
211.14836	5.9
212.37045	1.4
213.16386	2.7
215.14351	2.0
217.16017	1.4
221.13312	2.4
225.16389	2.9
227.14272	1.5
235.14862	3.0
237.16206	1.6
249.16396	1.5
253.15837	3.0
253.19437	2.1
291.21060	2.9
309.22122	4.7
326.34158	2.2
327.07742	5.8
327.23105	10.8
327.34335	1.4
330.25458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
58.99574	2.0
64.76520	0.4
66.49306	0.4
67.05503	2.1
69.03421	100.0
69.07024	0.4
70.03759	1.0
71.42400	0.5
76.02219	14.0
79.05470	0.7
81.07030	0.6
83.04989	2.1
83.05431	0.4
85.01105	0.7
91.05495	0.5
93.07016	0.9
95.04990	0.7
95.08628	0.7
98.98455	46.2
100.98907	0.6
107.08582	0.8
109.02858	2.5
109.06503	0.5
109.10141	5.8
110.10445	0.5
113.00574	7.5
113.01272	0.7
113.04212	0.9
116.99487	0.6
121.10169	1.4
122.02734	3.6
123.08051	1.3
137.06009	1.2
137.09619	1.3
139.11162	20.4
144.04791	1.7
147.11674	1.0
151.07524	8.8
157.05075	0.5
172.04346	0.6
174.99199	3.3
176.98940	1.5
183.03185	0.4
183.04733	11.7
183.06252	0.8
186.01743	0.5
189.12791	1.0
190.05261	2.4
192.25761	0.4
207.13777	45.3
208.14137	1.4
210.87770	0.5
239.10963	12.2
314.80536	0.5
328.15680	4.2
329.21246	0.5
344.95712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07060	0.6
55.05503	2.2
56.16364	0.6
56.20712	0.7
57.03429	1.2
57.07086	0.6
67.05495	7.7
69.07051	3.0
69.45352	1.6
69.45733	1.3
79.05486	7.7
81.03391	0.9
81.07042	5.1
83.04977	1.0
83.08623	1.1
91.05473	4.0
93.07037	6.1
94.53909	0.7
95.04958	2.6
95.08589	3.9
97.06527	1.0
97.10168	1.5
98.22666	1.5
98.23323	2.0
98.98454	100.0
103.34155	0.6
104.99282	0.7
105.07027	2.9
107.08570	4.5
109.10133	5.4
111.08078	0.6
114.45187	0.6
116.99476	2.1
117.06969	0.9
119.08579	2.9
121.10139	3.6
125.09605	1.4
131.08588	1.4
133.10127	2.4
137.09625	1.7
140.01048	1.0
145.10107	1.3
147.11710	1.1
149.09595	0.9
161.13301	0.9
167.94559	0.7
172.13371	0.9
173.11783	3.6
173.13170	0.9
174.99182	7.5
175.99557	1.0
176.98953	3.1
189.11160	0.6
190.95370	1.2
250.99951	0.9
275.19983	1.8
329.16864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.8
57.03429	0.6
67.05503	2.7
69.07058	1.4
70.55690	1.2
70.56039	0.6
74.38809	0.5
79.05489	1.8
81.07055	3.3
83.04942	0.6
84.31165	0.6
91.05496	1.4
93.07037	1.1
95.08595	1.4
98.09668	1.3
98.98458	100.0
104.99266	1.4
107.08593	1.3
109.10175	0.7
113.32771	0.6
116.99496	2.9
119.08578	1.0
135.11682	0.8
174.99199	6.6
176.98930	3.2
181.12183	1.0
190.95396	0.8
212.81728	0.5
232.96501	0.9
251.00064	0.8
252.99683	0.8
275.20050	1.0
328.15274	0.7
328.18799	9.6
328.28357	0.8
346.75592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01855	1.9
55.05256	0.9
55.05505	11.3
58.06620	0.6
65.95174	0.6
67.05502	6.8
69.03417	2.0
69.06709	1.0
69.07062	15.6
74.06109	0.6
75.01164	0.6
79.05482	8.2
81.03379	0.8
81.07051	8.0
83.04974	1.1
83.08611	7.5
91.05460	5.3
93.07031	4.6
95.04935	0.8
95.08595	4.4
97.06534	1.7
97.10161	15.8
98.98457	100.0
105.07023	5.5
107.04931	0.9
107.08581	17.4
109.06492	1.1
109.10120	1.0
116.98702	0.8
116.99500	2.3
119.08594	3.0
121.10130	1.1
125.09627	12.5
131.08533	1.1
133.10129	3.3
135.08055	1.5
135.11639	1.4
137.09590	0.9
140.00943	0.6
141.51920	0.7
145.10123	1.8
146.43491	0.8
147.11714	2.4
149.09592	5.1
154.20303	0.6
157.18089	0.7
159.11615	1.7
161.13239	1.8
163.11153	1.9
171.10190	1.2
172.94402	0.9
174.99184	7.6
176.98894	3.1
179.14310	1.8
181.12285	0.9
189.11197	17.0
189.12819	1.3
198.62273	0.7
201.12527	0.7
215.74040	0.7
229.19749	0.7
232.96376	0.7
239.17984	1.0
250.97421	0.7
252.99553	0.7
257.19012	2.5
275.20038	19.1
276.20450	1.3
293.21155	1.9
328.08655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.05031	4.5
57.07075	0.6
58.06581	0.4
60.04519	11.8
67.05491	2.2
68.05023	0.3
69.07057	1.5
70.06591	0.7
70.93401	0.4
72.04501	1.8
74.06069	100.0
75.06408	0.8
79.05489	1.5
80.04989	0.3
81.07037	1.9
82.06566	0.6
83.08597	0.7
86.06064	0.9
91.05474	0.8
93.07023	1.3
94.06540	0.6
95.04963	0.4
95.08598	1.9
97.10153	0.5
98.98453	4.0
107.08596	0.7
108.08106	0.3
109.10131	0.3
112.07587	0.3
119.08567	0.6
121.10152	0.4
130.08661	1.0
133.10008	0.2
174.99216	0.3
230.10779	0.3
250.25092	0.3
260.15701	0.3
262.25323	0.4
280.26212	1.3
292.26303	0.7
298.27396	0.8
310.27341	1.1
328.28430	5.9
328.32043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37226	0.2
69.03453	0.3
69.07086	0.4
69.43071	1.0
84.04517	0.3
95.06100	0.5
98.98457	100.0
100.98866	0.7
106.89568	0.2
114.05528	0.4
116.98623	0.7
116.99490	2.4
130.04951	0.5
130.93271	1.0
134.99652	0.4
148.94313	0.3
153.01819	0.4
167.03157	1.7
168.06509	0.3
169.21907	0.2
172.94348	1.6
174.99210	7.5
176.98898	3.3
181.48547	0.3
185.04185	0.4
187.10924	0.4
190.95357	2.2
198.95819	0.3
216.96967	0.5
224.97520	0.6
242.98515	1.8
250.99913	0.4
252.99666	0.6
258.98038	0.9
260.99518	0.7
268.96606	0.3
276.99225	0.4
286.97449	3.6
287.83115	0.3
304.98523	8.7
305.98773	0.3
322.99466	0.7
329.06046	3.6
329.11960	8.8
330.07175	0.3
330.12027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2109
Annotation	Longithorol C
Peak:m/z	Relative Intensity
55.01862	0.9
55.05512	2.5
67.05497	3.8
69.03404	0.7
69.07056	1.2
69.66317	1.6
77.03957	0.6
79.05486	4.4
81.03422	0.4
81.07053	6.1
83.08607	0.7
91.05469	7.1
93.07035	8.3
95.04956	1.9
95.08599	4.7
97.06522	1.4
98.98463	11.2
99.04459	0.6
103.05454	0.7
105.07018	9.9
107.04945	1.8
107.08576	5.5
109.06517	3.4
109.10146	2.0
111.08053	1.1
115.05466	0.7
117.07012	4.3
119.04935	0.9
119.08571	10.0
121.06495	2.9
121.10136	5.1
123.04433	0.9
123.08027	1.4
123.11721	0.7
125.09618	1.8
128.06192	1.2
129.06992	2.8
130.07771	0.6
131.08559	11.4
133.06502	1.4
133.10132	6.4
135.08061	2.0
135.11682	2.0
137.05965	1.7
137.09593	0.7
141.07021	0.9
142.07784	1.4
143.08527	4.2
144.09254	0.8
145.06497	1.7
145.10106	8.4
147.08040	4.4
147.11674	2.8
149.09610	1.3
151.11140	0.7
153.07004	0.5
155.08508	3.5
156.09340	0.7
157.06458	0.6
157.10114	4.0
158.07309	0.8
158.10913	0.7
159.08035	3.1
159.11684	7.0
161.09616	2.1
161.13246	1.7
163.07500	0.7
163.11197	0.6
165.07091	0.8
167.08527	1.5
168.09248	0.5
169.10101	3.0
171.08032	3.2
171.11690	3.4
172.08781	0.8
173.09619	7.1
173.13243	12.8
174.13683	0.7
174.99191	0.9
175.11102	0.5
175.14775	0.7
177.09103	1.4
179.08537	1.7
180.09306	0.8
181.10075	3.2
182.10847	1.1
183.08080	0.9
183.11708	3.2
184.12521	0.7
185.09587	3.0
185.13231	2.7
187.11165	6.0
187.14771	0.9
189.09023	2.4
191.10648	2.5
193.10153	1.8
194.10912	1.0
195.11691	4.1
196.12450	0.8
197.09596	1.3
197.13228	2.0
199.11169	2.8
199.14850	1.0
201.12729	3.7
203.10797	0.6
205.10115	0.7
206.10799	0.6
207.11746	2.5
208.12512	1.0
209.09564	1.2
209.11624	1.1
209.13391	2.8
211.11131	1.8
211.14821	1.6
213.12753	2.2
213.16330	0.8
219.11690	1.4
220.12384	0.6
221.13203	1.5
222.10451	0.7
222.13933	0.7
223.11174	2.3
223.14781	2.5
225.12668	1.4
225.16402	2.1
227.14333	1.4
231.11685	1.2
233.13177	0.8
235.11279	0.8
235.14832	1.6
236.11935	0.6
236.15820	0.6
237.12689	2.5
237.16348	3.2
238.13414	0.8
239.14220	1.3
239.17900	1.1
240.15025	0.6
241.12279	0.9
241.15823	1.2
243.17499	1.0
245.13312	0.6
246.13992	0.6
249.12807	2.0
249.16437	0.9
250.17216	0.7
251.14276	1.7
251.17976	1.7
253.15857	3.1
255.13730	0.8
255.17517	2.5
260.15546	0.7
263.14276	2.4
263.17673	0.5
264.15189	1.1
265.15826	1.3
265.19516	3.2
267.13907	0.9
267.17392	1.1
269.18900	0.9
273.14749	0.7
275.17834	2.2
278.16562	1.3
281.15558	0.9
282.16125	0.9
283.16882	1.8
283.20523	1.4
293.18961	7.4
296.17685	1.6
300.17157	5.3
301.17926	4.0
311.20016	24.6
312.20374	1.1
314.18637	1.7
329.21075	100.0
330.21368	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	330.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46589	0.6
53.32333	0.7
55.01862	2.3
56.96565	1.3
57.03433	6.7
58.42867	0.7
61.02920	5.8
61.21612	0.7
68.69625	0.7
69.03429	10.6
70.14431	1.4
70.14766	1.1
71.01340	2.5
73.02913	31.4
79.01292	0.8
79.27151	0.8
81.03395	1.4
85.02898	26.2
96.04494	1.1
97.02880	16.3
98.98459	100.0
100.98882	2.4
103.03931	1.0
109.02882	2.1
115.03925	10.1
116.98668	1.1
116.99509	2.6
127.03913	6.7
133.04955	16.0
145.04961	12.0
145.43620	0.7
150.07579	1.6
153.01831	0.8
163.05984	5.5
174.99178	5.0
176.98848	4.7
221.03032	1.6
223.06058	2.0
223.09677	0.7
241.07082	2.1
259.08148	2.6
277.09302	0.8
295.10397	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18581	1.3
57.03431	14.5
59.05001	3.0
62.57316	1.3
67.53929	1.3
69.03426	54.0
69.03802	2.7
69.07057	1.5
70.49358	1.3
73.02914	2.1
79.05500	2.4
81.03403	3.9
81.07035	3.0
83.04993	1.5
85.02898	49.0
85.03417	2.7
87.04458	42.0
91.05469	1.8
93.07042	3.8
93.71799	1.3
94.07365	2.8
95.04973	2.4
95.08596	2.5
97.02885	41.8
97.06520	1.5
98.23502	3.5
98.98455	100.0
100.98892	2.0
101.97064	1.4
105.07048	1.6
107.04966	1.3
109.02850	2.1
115.03920	65.6
116.99496	3.1
118.97296	1.5
119.04967	1.6
121.10146	1.6
127.03876	4.1
133.04953	87.2
134.05307	1.6
143.03381	2.1
145.04976	10.2
150.07626	8.5
151.03972	1.6
151.07559	3.2
153.01811	9.5
163.05983	3.1
174.99203	3.7
175.99484	1.5
176.98970	3.9
187.05969	1.3
195.07928	1.3
208.05215	4.4
226.05011	2.1
241.07036	2.9
259.08136	2.7
266.10172	2.5
269.07919	2.9
277.09241	2.8
287.12927	1.4
295.10110	3.1
315.08630	11.1
330.10904	12.2
330.21484	2.4
331.11581	4.8
331.15350	1.9
331.22797	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
56.96559	4.4
56.96798	0.8
57.03222	0.7
57.03436	7.7
61.02923	8.2
69.03424	16.7
71.01360	1.9
71.04956	0.7
71.43462	0.8
73.02911	38.6
81.03419	3.6
81.35954	0.9
85.02893	29.5
87.04456	2.2
91.03953	1.6
91.05470	1.2
97.02881	19.3
98.03162	0.8
98.98455	100.0
99.04451	3.7
100.98893	1.8
104.03799	0.9
109.02860	2.4
111.05519	1.0
115.03918	13.2
116.98696	1.0
116.99483	2.1
119.01942	1.1
127.03903	11.0
130.93306	1.0
133.04955	18.1
137.27841	0.9
137.42410	0.8
142.01750	4.3
145.04956	15.0
145.06157	1.4
150.05492	2.2
150.07613	1.7
152.07065	1.0
153.01767	1.1
154.02110	1.1
154.94156	1.3
160.02768	4.2
161.02913	0.9
163.03845	1.2
163.06026	10.5
163.07361	1.2
168.10223	1.5
174.97736	1.6
174.99232	4.1
176.97476	1.4
176.98935	4.7
177.00900	1.9
180.08722	1.0
189.05363	1.3
190.05827	1.3
190.95375	1.5
193.00200	1.1
193.98895	1.7
195.79153	0.9
203.03395	3.4
207.06328	0.9
207.57729	0.9
216.98656	0.9
217.98901	1.5
219.01976	3.7
221.02744	1.1
221.04642	1.8
223.06015	2.1
235.99884	1.1
236.99667	1.0
241.07051	2.5
250.02112	0.9
259.08109	2.7
263.01273	0.9
270.04477	0.9
279.98901	1.2
295.10196	3.3
324.22156	1.0
330.06119	0.8
330.76312	0.9
331.09921	6.8
349.00803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37528	0.1
57.03431	0.3
57.65105	0.1
61.02906	0.4
61.82698	0.1
62.63186	0.1
67.05503	0.2
69.03422	1.1
69.72157	0.1
71.43608	0.1
71.82787	0.1
72.75793	0.1
73.02924	0.2
77.03941	0.1
79.05482	0.6
80.05000	0.4
81.03410	0.4
81.05790	0.5
81.07050	0.6
82.06583	0.1
85.02900	1.2
87.04439	0.1
89.28268	0.1
91.03920	0.1
91.05479	0.3
93.05772	0.2
93.07026	0.2
94.06569	1.3
95.04972	0.2
95.08599	0.3
97.02888	0.5
98.98460	1.8
103.05472	0.2
104.74310	0.1
105.07016	1.1
106.06521	0.9
107.07325	6.7
109.02870	0.2
120.08104	0.2
121.08857	0.9
122.06055	0.2
122.09657	9.5
123.09967	0.2
127.03908	0.2
135.06776	2.5
137.05989	0.3
138.09097	0.1
145.04961	0.1
145.10104	0.2
146.10481	0.1
147.36581	0.1
150.09128	100.0
151.07533	0.3
151.09480	2.9
168.10188	5.4
169.10364	0.2
221.45056	0.1
264.01889	0.1
294.19250	0.2
296.21060	0.1
312.20258	0.2
329.19220	0.1
330.15463	0.2
330.21362	0.9
331.22675	0.3
347.31012	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	330.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01858	1.9
56.48722	0.7
56.56174	0.6
56.98970	0.7
57.03431	4.3
61.02912	1.5
65.00207	0.7
69.03417	5.4
70.06577	2.6
73.02896	0.9
76.17968	0.6
79.05484	1.3
81.03389	2.2
85.02892	20.2
86.09703	1.0
91.03925	1.0
91.05471	1.1
97.02886	4.8
98.98452	70.8
99.04416	1.0
100.98895	1.8
101.53395	0.7
103.05457	0.8
104.51704	0.7
105.07014	15.0
109.02869	1.9
109.06504	5.5
116.99487	1.1
127.03900	4.0
133.06471	23.1
145.04927	4.7
150.09126	1.8
151.07518	100.0
152.07895	3.3
168.06609	0.8
168.10153	4.1
174.99200	3.1
175.99454	0.8
176.98846	4.8
180.08591	4.0
252.99570	1.0
312.10693	1.1
330.12265	3.1
330.15482	1.7
330.19647	2.0
331.09930	18.5
331.13367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
57.03420	0.2
61.02920	0.4
67.05491	0.3
69.03431	1.1
70.49022	0.4
72.04472	0.2
73.02901	0.2
79.05499	0.5
80.04993	0.4
81.03412	0.6
81.05799	0.4
81.07027	0.6
82.06583	0.2
85.02903	1.5
88.39597	0.2
91.05470	0.3
93.05734	0.2
94.06545	1.3
95.08590	0.2
97.02860	0.5
98.98469	1.2
105.07011	1.2
106.06545	0.9
106.07181	0.2
107.07328	6.6
108.07600	0.2
109.02872	0.3
116.13847	0.2
119.27229	0.2
120.08086	0.5
121.08891	1.0
122.06017	0.4
122.09655	9.8
123.09923	0.3
127.03914	0.4
135.06784	2.9
137.05945	0.3
139.67267	0.2
150.09125	100.0
151.07521	0.4
151.09460	3.1
168.10185	5.6
169.10492	0.2
247.68089	0.2
312.20377	0.4
330.15128	0.2
330.21350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93163	0.8
55.05503	5.1
57.03424	3.2
57.07066	9.5
58.06338	1.0
58.06594	7.4
67.05495	7.3
69.07047	2.9
69.77710	3.3
70.06586	2.2
71.08622	6.4
72.08146	18.2
74.38035	0.9
79.05477	3.1
79.17497	0.8
81.07043	4.6
83.08602	2.3
87.04450	9.9
88.07626	6.8
91.05445	2.1
91.35720	0.8
93.07035	1.8
95.08586	3.6
97.10150	2.9
98.98454	61.0
99.08083	1.6
101.06008	14.0
102.09164	1.6
107.08546	2.3
109.10129	2.6
116.99475	1.7
125.09594	3.0
135.41029	0.9
151.11182	1.3
154.21187	0.9
156.17455	15.3
162.39655	1.2
167.76363	1.1
170.19023	5.9
173.11671	1.7
174.99210	2.6
176.98923	3.5
189.11166	4.1
256.26346	4.2
268.29965	32.3
270.27808	2.1
277.21506	3.2
330.29904	23.2
330.33588	100.0
331.18784	4.2
331.30258	1.3
331.33871	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
55.05508	50.4
57.07082	1.8
64.05932	1.8
67.05502	16.6
69.03422	4.7
69.07067	10.0
71.08621	5.3
79.05473	12.1
81.03407	2.4
81.07048	14.1
83.04984	5.3
83.08613	33.7
85.06581	2.0
87.04451	2.1
91.05472	3.8
93.07051	7.6
95.08596	5.6
97.10162	60.7
98.98459	49.6
99.08087	6.9
105.07022	4.0
107.08585	17.3
107.37114	1.8
109.10181	4.5
109.52202	1.6
111.08125	1.8
119.08571	3.8
125.09626	57.0
126.09968	1.6
133.02757	1.7
135.08078	5.0
135.11667	4.0
143.10693	4.2
147.11760	1.9
151.11168	4.0
153.09149	5.0
163.11079	2.1
164.64876	1.6
170.11839	2.5
171.10162	8.3
171.11583	1.7
176.98871	3.5
179.14285	3.6
189.11212	100.0
190.11586	2.8
241.19637	2.2
259.20703	2.5
277.21600	49.3
277.24506	3.3
278.21918	1.8
295.22687	6.1
330.29953	3.3
330.33612	4.4
330.47116	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69949	1.9
55.01863	2.9
55.05505	10.0
57.03436	5.1
57.07071	4.2
59.15711	2.0
67.05497	32.2
69.07066	11.6
69.93330	7.4
70.06607	4.3
71.08640	3.7
79.05504	11.0
81.07057	23.1
83.04988	5.7
83.08604	4.9
87.04446	14.5
88.07620	3.6
89.13966	1.7
91.05466	7.9
93.07037	13.4
95.04951	3.7
95.08591	11.3
97.06535	3.1
97.10159	6.3
98.22954	3.9
98.98458	100.0
99.08067	2.2
101.06028	3.9
104.99270	2.8
105.07031	6.1
107.08574	6.4
109.06464	2.1
109.10143	14.5
111.08085	3.7
116.99471	2.3
119.08591	4.2
121.10128	3.8
123.11654	2.4
125.09631	3.4
133.10103	3.7
135.07993	2.4
135.11655	3.3
136.81754	2.2
137.09660	3.3
139.11189	5.3
140.14310	2.5
145.10132	2.1
147.11668	2.6
155.07388	2.1
155.10681	2.8
157.10109	1.9
161.13260	2.9
172.13373	3.8
173.11690	14.2
174.99216	5.9
176.98921	3.0
189.11200	3.9
193.12270	2.8
203.75002	2.0
211.13397	3.5
251.49683	2.3
268.29819	2.4
270.27881	4.7
277.21536	12.7
295.22626	4.9
330.29993	21.2
330.33615	10.7
331.18756	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04301	0.4
70.71560	0.8
77.68559	0.4
82.71246	0.4
98.98457	32.7
100.98875	0.9
106.62460	0.4
116.99498	0.8
140.95541	0.4
169.04710	1.1
169.09598	0.4
174.99228	0.8
176.98917	2.5
271.07846	0.6
331.09955	100.0
332.10321	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	331.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95612	0.4
69.04583	0.4
70.68415	0.8
98.98462	17.2
98.99100	1.0
100.98895	0.9
169.04732	1.6
174.99158	0.9
176.98918	1.5
188.64655	0.4
249.04430	0.6
313.46368	0.5
331.09961	100.0
332.10263	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05495	1.8
65.03938	2.3
67.05501	1.4
69.32052	6.1
79.05492	3.8
81.07043	3.4
91.05465	31.5
91.14558	1.3
93.07015	1.8
94.04177	3.7
95.04959	6.6
98.22800	3.2
98.98459	48.9
101.06013	1.6
103.05444	6.6
105.03483	1.3
105.07029	4.6
107.04937	8.7
109.06500	5.5
111.04417	3.9
115.05463	3.2
117.06991	1.9
119.04932	17.7
119.08566	1.1
121.06486	7.1
122.03637	9.2
123.04430	2.0
128.06245	4.8
129.06987	14.8
131.04922	6.0
131.08557	1.6
133.06502	2.2
135.08075	5.5
135.11620	1.6
136.05202	3.8
137.05968	80.5
137.59993	1.1
138.06244	1.6
143.04935	1.7
145.06474	4.1
146.03618	2.0
147.04378	2.1
149.05952	12.2
150.09123	2.5
151.03896	3.3
151.07527	100.0
152.06184	4.3
152.07849	2.7
153.13405	1.3
157.06477	13.0
161.05994	13.6
161.09590	4.2
163.07539	21.4
165.06976	13.3
165.09134	4.9
166.07704	2.5
167.07101	2.5
167.08528	17.4
169.06480	2.6
171.08006	1.2
174.06772	6.1
174.99210	2.7
175.07523	4.6
175.29591	1.6
176.98950	2.3
177.06982	2.7
177.09044	3.0
178.07796	6.7
178.09090	1.2
179.08530	3.4
181.06503	5.9
181.10088	2.5
182.07262	4.7
183.08101	2.9
184.08705	1.4
189.09087	32.0
190.09392	1.9
191.08461	1.3
192.09367	3.1
193.06477	7.6
193.10117	7.0
194.07307	3.2
194.23749	1.5
195.08035	28.3
196.08626	3.7
197.06003	5.2
203.08624	2.7
205.06488	2.8
206.07265	2.2
207.08202	2.1
207.10161	4.6
209.05974	3.3
209.09630	4.5
210.06741	9.7
210.10622	1.2
211.07533	3.9
212.08235	5.9
219.08199	1.3
220.08890	1.6
221.06073	7.7
221.09573	11.7
222.06671	2.3
223.07545	11.6
224.08275	3.2
225.05482	2.8
225.09029	10.2
227.07117	2.5
227.10643	29.7
228.10983	2.5
237.09088	2.9
238.06267	4.9
238.09843	1.6
239.07028	2.0
239.10747	1.6
240.07765	3.4
241.08601	2.3
241.12244	2.1
249.08978	7.2
253.08585	14.5
253.12210	18.8
254.09467	2.3
254.12318	1.4
255.06476	1.5
255.07014	1.7
255.10133	29.0
256.10721	3.3
259.13251	1.4
266.09320	1.8
267.10181	4.9
269.08084	4.0
269.11783	3.2
270.08798	1.8
272.10397	4.2
281.11777	5.9
285.11197	18.7
287.12747	43.6
288.13089	2.9
294.96735	1.4
301.14261	1.9
302.18597	2.0
313.14349	11.7
313.21518	3.0
331.11685	1.5
331.15347	2.9
331.18896	1.9
331.22852	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05507	2.3
65.03932	1.9
67.05499	2.7
69.03429	2.3
69.07056	1.6
69.87551	3.0
69.87910	2.9
75.85944	1.4
77.03951	1.5
79.05488	4.3
81.03409	1.9
81.07034	7.7
83.04967	3.6
91.05471	32.3
93.07024	3.8
94.04143	3.0
95.04974	8.5
95.08600	3.5
97.02895	2.1
97.06537	1.9
98.98460	77.3
100.98869	2.5
103.05460	6.1
105.07014	5.7
107.04935	6.4
109.02879	1.8
109.06518	5.4
109.10162	1.8
111.04422	2.6
111.08058	2.0
115.03923	2.4
116.99483	2.4
117.07011	2.2
119.04943	19.0
119.08527	1.8
120.49853	1.3
121.06509	6.2
121.10153	1.5
122.03640	7.1
123.08065	2.3
123.11732	2.5
128.06213	4.4
129.06996	15.1
131.04915	6.9
131.08511	2.4
133.06468	1.8
133.10097	1.7
135.04382	1.8
135.08058	8.0
136.05179	4.2
137.05963	74.1
138.06303	2.7
139.07532	1.7
141.09103	1.5
145.06482	4.1
146.03618	2.8
147.04407	1.7
149.05980	12.5
151.03896	4.1
151.07523	100.0
152.06203	4.1
152.07872	2.8
153.01814	11.0
155.07240	1.3
155.08499	2.8
157.06471	13.2
161.05989	14.1
161.09619	3.8
162.06683	1.8
162.74117	1.5
163.03964	1.3
163.07510	21.5
165.06947	14.7
165.09099	3.7
166.07707	6.0
167.08551	14.7
169.06494	2.2
169.12187	1.5
174.06749	5.9
174.99176	3.0
175.07536	4.4
176.98929	3.3
177.06927	1.8
177.09071	3.3
178.07741	8.4
179.08591	2.3
181.06456	5.4
182.07272	5.2
183.08109	1.7
184.08775	1.5
189.09088	31.9
192.09290	1.6
193.06447	6.7
193.08546	1.4
193.10149	7.7
194.07184	2.1
195.08023	25.0
197.05956	5.4
202.07771	1.6
203.08586	2.7
206.07315	2.6
207.10091	3.7
209.05951	3.4
209.09590	4.8
210.06671	10.0
211.07498	5.0
212.08255	3.8
213.08992	1.9
215.11401	1.3
220.08823	1.7
221.05949	9.0
221.09578	9.7
222.06561	2.0
223.07533	11.4
224.08269	4.6
225.05508	3.2
225.08971	7.0
227.07182	2.5
227.10635	26.0
228.10913	2.2
229.09865	1.5
235.07477	2.9
237.05406	2.1
237.09111	2.9
238.06233	5.1
238.09840	1.6
239.06943	2.6
240.07745	3.5
241.12302	2.7
249.09143	4.3
252.07701	2.9
253.08534	12.9
253.12242	12.9
254.09155	2.3
255.07010	2.6
255.10141	32.3
256.10626	1.4
267.10281	5.6
269.08054	4.7
269.11691	3.2
271.09647	2.2
272.10428	3.6
281.11694	6.5
284.10446	1.7
285.11163	21.4
287.12738	42.1
288.13278	1.6
295.10559	1.5
299.09045	1.8
299.12613	1.4
313.11203	3.1
313.14618	10.9
313.21683	2.2
331.12408	16.6
331.22641	5.8
332.12250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01887	1.4
57.43403	0.9
65.03925	1.8
67.05536	1.2
69.23436	2.1
69.23839	5.3
79.05492	2.9
81.07059	2.2
91.05473	29.3
92.05786	1.1
92.13740	1.0
94.04175	2.9
95.04955	6.9
98.98458	3.4
103.05466	4.5
105.07028	4.0
107.04931	5.0
109.06525	3.8
111.04427	1.2
115.05460	3.0
117.07003	2.6
119.04928	17.8
121.06501	6.4
122.03633	8.9
123.08090	1.7
128.06236	4.5
129.06987	14.7
131.04921	4.9
131.08626	1.5
133.06514	2.4
135.04454	1.0
135.08014	5.3
136.05171	4.1
136.29616	1.2
137.05957	75.3
138.06308	1.8
145.06476	3.9
146.03665	1.7
146.07364	1.5
147.04439	1.7
149.05980	12.1
151.03990	2.2
151.07518	100.0
152.06197	4.4
152.07887	2.6
153.06895	2.0
155.08496	1.2
157.06459	11.8
159.04404	1.1
161.05968	11.7
161.09656	3.5
162.06671	1.3
163.07529	21.7
165.06967	13.6
165.09064	6.2
166.07758	3.8
167.08530	17.1
168.08940	1.1
169.06503	2.8
174.06749	7.0
175.07539	3.7
177.06946	1.6
177.09102	2.8
178.07690	6.8
179.08488	3.1
181.06448	3.7
182.07268	4.3
189.09073	32.3
191.08607	1.3
192.09319	1.6
193.06441	8.1
193.10098	5.6
194.07260	3.0
195.08032	25.8
196.08658	1.4
197.05948	6.3
197.09587	1.4
200.07886	1.1
202.07791	1.0
203.08516	2.1
205.06491	1.3
206.07306	1.7
207.08199	2.1
207.10158	5.0
209.05992	3.5
209.09663	4.2
210.06726	10.2
210.10153	1.6
211.07465	4.0
212.08359	5.1
220.08833	1.9
220.31593	1.2
221.05971	9.6
221.09514	13.5
221.11450	1.3
222.06604	1.2
223.07506	12.6
224.08315	4.7
225.05441	1.5
225.09038	9.2
227.07039	3.2
227.10628	30.2
228.11101	2.7
231.08069	2.2
234.06764	1.4
237.09158	2.9
238.06268	5.1
238.09775	2.1
239.06947	2.1
240.07881	3.5
241.08517	2.3
241.12292	1.1
242.09137	1.4
249.09059	7.0
251.06862	1.2
252.07774	2.3
253.08545	11.1
253.12183	15.1
254.09077	2.2
255.10139	30.7
256.10559	1.9
267.10062	6.9
269.08090	4.5
269.11551	2.4
270.08740	2.3
271.13467	1.5
272.10361	3.6
281.11688	6.6
282.12381	1.4
284.10446	2.0
285.11121	18.9
287.12735	39.2
288.13043	3.6
298.11868	2.1
299.12796	1.9
313.14291	13.4
316.63403	1.5
331.15308	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	331.1536
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.02364	1.1
63.89904	0.9
65.03914	1.2
79.05480	4.2
81.07036	3.4
91.05466	33.7
93.06993	1.5
94.04160	4.0
95.04950	6.5
98.98453	71.9
100.98880	2.0
103.05455	5.8
105.07037	5.0
107.04946	7.3
109.06525	5.1
111.04422	2.5
115.05421	3.3
116.99477	2.1
117.06996	2.3
118.04160	1.0
119.04927	21.7
120.05783	1.0
121.06480	8.2
122.03644	10.9
123.04414	1.0
127.57334	0.9
128.06197	4.3
129.06987	15.7
131.04890	5.7
131.08543	1.4
133.06458	2.4
135.04420	1.7
135.08009	8.1
136.05183	4.4
137.05957	86.3
138.06271	2.7
141.06898	1.2
143.04935	1.7
145.06456	4.4
146.03607	1.3
147.04411	1.9
147.07962	1.8
148.05142	1.5
149.05957	16.6
151.03870	4.1
151.07520	100.0
152.06218	4.2
152.07851	4.5
153.06926	2.3
154.63139	1.2
157.06476	13.7
159.08067	1.0
161.05968	14.4
161.09621	2.8
163.07518	23.0
165.05598	1.8
165.06964	13.6
165.09058	4.8
166.07748	4.3
167.07152	2.1
167.08508	17.1
169.06456	2.6
174.06807	7.7
174.99236	3.3
175.07489	5.9
176.08208	1.3
176.98898	5.3
177.07019	2.4
177.09079	3.2
178.07768	8.0
179.08504	2.8
181.05067	0.9
181.06435	6.1
181.08589	1.2
181.10049	1.8
182.07237	4.0
183.08002	1.2
184.08827	1.4
189.09074	38.3
191.08542	2.0
192.09273	1.8
193.06459	9.4
193.10136	8.5
194.07259	4.7
195.08034	28.9
196.08681	4.0
197.05878	6.7
197.09668	2.0
198.06816	1.0
202.07784	2.2
203.08514	2.8
206.07265	1.8
207.08203	1.6
207.10136	5.0
209.05974	3.9
209.09610	3.6
210.06760	10.1
211.07472	4.3
212.08327	7.3
213.05370	1.1
213.09076	1.1
220.08916	2.0
221.05997	11.2
221.09526	13.0
222.10094	1.1
223.07510	11.1
224.08243	5.1
225.05478	2.4
225.09053	13.6
227.07039	2.7
227.10628	32.8
234.06660	2.2
235.11276	1.0
237.05280	1.3
237.09001	2.8
238.06200	4.5
238.09724	1.3
239.06947	2.3
240.07764	4.3
241.08490	2.5
241.12151	1.4
249.09035	7.8
251.06920	1.6
252.07803	2.5
253.08557	17.0
253.12183	18.7
254.08929	1.4
255.06511	1.7
255.07143	1.5
255.10114	36.5
256.10468	2.2
266.09204	1.5
266.21771	1.5
267.10117	5.8
269.08008	6.9
269.11560	2.5
270.08746	2.7
271.09729	1.2
272.10364	3.9
281.11685	8.0
284.10400	1.4
285.11151	20.2
286.11380	1.6
287.12729	47.5
288.13025	1.9
298.12048	1.4
299.12662	1.3
301.14383	2.4
313.14322	10.5
331.11609	5.2
331.15286	3.5
331.22305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.02367	2.0
55.01867	2.5
55.05510	1.9
61.95538	1.7
63.06820	1.7
65.03925	3.4
67.05479	2.2
69.03445	2.0
70.72298	3.0
79.05489	4.7
81.03376	1.6
81.07050	4.3
91.05478	35.8
93.07034	3.0
94.04154	2.1
95.04969	6.8
95.08602	4.0
98.98453	53.2
103.05444	6.0
105.07015	8.0
107.04919	8.2
109.06489	6.1
109.10179	1.9
111.04442	2.9
115.05444	2.5
117.07005	4.1
119.04935	18.7
121.06493	5.6
122.03624	8.5
123.08028	1.9
123.11677	1.9
128.06172	6.3
129.06990	18.7
131.04907	5.8
131.08505	4.0
133.10066	2.3
135.08008	5.8
136.05214	3.8
137.05962	78.7
138.06322	3.1
143.04941	2.2
145.06439	3.8
146.03629	2.4
147.08031	2.1
148.05237	2.1
149.05956	20.0
151.03824	3.5
151.07521	100.0
152.06190	5.0
152.07948	3.5
153.01813	14.1
157.06444	11.4
161.05940	18.0
161.09633	5.2
163.07526	25.6
165.06981	12.2
165.09132	4.3
166.07742	4.0
167.08537	18.6
168.06703	1.8
169.06416	2.8
170.40535	1.8
174.06758	6.8
174.99214	2.4
175.07516	3.3
176.98903	4.0
177.06953	2.6
177.09116	3.6
178.07756	6.6
178.09409	1.7
179.08507	1.8
181.06465	5.7
182.07272	3.9
183.08035	2.3
184.08789	2.4
189.09094	34.4
190.09451	2.2
192.09227	3.3
193.06459	6.3
193.10132	7.9
194.07327	2.3
195.08032	26.3
195.78056	1.8
196.08653	3.8
197.05975	6.3
203.08598	2.5
207.10101	3.8
209.05989	2.2
209.09616	2.1
210.06715	9.4
211.07430	5.1
212.08253	4.9
213.09012	2.0
220.08885	2.6
221.05936	12.0
221.09578	11.3
222.06783	2.2
223.07506	13.9
224.08241	6.5
225.05487	3.2
225.09053	12.5
227.07089	4.3
227.10640	29.0
228.10794	1.9
234.06770	2.1
237.09071	4.0
238.06262	8.4
238.09816	2.2
239.06961	3.4
239.10800	2.1
240.07780	3.9
241.08536	2.6
241.12225	3.2
249.09032	6.4
253.08594	14.4
253.12183	17.6
255.06392	2.3
255.10130	34.8
263.10580	1.9
267.10135	6.3
269.08014	3.3
270.08670	2.0
272.10223	4.3
281.11673	7.1
285.11142	26.4
286.11340	2.4
287.12717	44.7
288.13025	2.5
301.14505	2.0
313.14270	12.1
313.21609	4.0
331.15356	3.8
331.22546	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	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01868	1.9
65.03925	1.7
69.97253	4.0
79.05489	3.1
91.05470	28.9
94.04169	3.7
95.04955	5.1
97.87537	1.5
98.22803	1.7
98.23340	1.7
98.98441	5.0
103.05443	5.7
105.07027	3.9
107.04957	5.5
109.06517	4.4
115.05465	2.0
116.79088	1.3
119.04932	19.4
121.06485	6.3
122.03625	6.3
123.04480	1.7
128.06200	4.6
129.06987	15.6
131.04924	7.3
131.08586	2.0
133.06502	1.5
135.08086	6.5
136.05179	3.2
137.05965	74.6
138.06310	2.4
141.06998	1.6
145.06471	4.8
149.05954	12.0
151.03900	3.2
151.07526	100.0
152.06192	4.4
152.07858	2.8
153.06947	2.1
154.07718	2.3
157.06525	10.2
161.05957	14.6
161.09586	5.2
163.03749	1.5
163.07513	19.5
165.06987	10.3
165.09088	3.8
166.07779	2.4
167.08560	18.0
169.06371	3.0
170.04282	1.5
174.06772	6.5
175.07579	4.8
177.06960	2.3
177.09088	2.6
178.07791	6.8
181.06462	3.3
182.07332	2.9
183.07924	1.9
189.09082	33.7
190.09367	1.8
192.09381	2.2
193.06444	6.6
193.10127	6.2
194.07193	1.8
195.08026	28.4
196.08636	2.5
197.05997	4.5
197.09566	2.4
203.08580	2.1
206.07167	2.1
207.08192	2.2
207.10164	3.9
209.05978	2.9
209.09608	3.5
210.06741	9.6
211.07550	3.4
212.08299	4.2
220.08720	3.1
221.05946	9.4
221.09520	11.1
222.06647	1.4
223.07574	10.0
224.08336	3.1
225.09100	9.4
227.07060	3.2
227.10651	30.4
237.09129	2.7
238.06183	4.1
239.07054	2.6
239.10559	1.8
240.07692	4.0
241.08539	1.9
249.09058	7.5
253.08554	14.2
253.12277	13.3
255.06500	1.8
255.07039	1.9
255.10164	29.5
256.10541	2.9
259.13345	2.2
267.10120	5.1
269.08057	4.7
269.11398	2.3
281.11722	6.0
285.11200	21.4
287.12741	43.2
288.13162	4.2
299.12534	1.8
313.14316	11.2
331.15265	4.0
334.21573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
58.52313	2.1
69.18388	15.0
79.05499	4.1
81.07035	3.5
84.25208	2.2
91.05478	35.4
91.08074	2.2
94.04170	4.4
95.04970	8.4
98.22619	3.6
98.98464	10.6
103.05453	5.6
105.07020	6.6
107.04944	6.2
109.06511	5.5
111.75349	2.3
119.04952	19.4
121.06493	6.3
122.03644	7.2
123.08023	2.9
128.06235	6.5
129.06993	23.6
131.04945	6.5
133.06537	3.5
134.03545	2.1
135.08043	9.4
136.05171	4.0
137.05968	93.2
138.06291	3.2
145.06483	7.0
146.03624	3.2
149.06001	16.1
151.03917	5.0
151.07529	100.0
152.06218	5.1
152.07889	2.2
153.06918	2.8
157.06456	16.1
159.04301	2.6
159.08081	2.4
161.05965	13.3
161.09555	3.7
163.07509	23.2
165.06982	17.0
165.09090	4.6
166.07751	4.6
167.08533	19.3
169.06548	4.4
174.06729	5.2
175.07553	5.6
177.06993	5.1
178.07808	8.6
181.06494	7.1
182.07260	5.7
189.09074	29.3
192.09366	2.6
193.06497	8.2
193.10028	10.7
194.07201	3.8
195.08034	33.4
196.08565	2.9
197.06015	8.2
202.07678	2.5
203.08574	4.5
206.07239	2.5
207.08223	2.8
207.10141	5.2
209.09634	4.0
210.06795	12.0
212.08266	7.1
221.06004	11.3
221.09575	13.1
223.07407	16.6
224.08298	4.4
225.05489	2.7
225.09055	12.9
227.10626	37.7
227.57768	2.5
237.09091	4.3
238.06328	4.6
239.07013	3.2
240.07826	4.1
249.09126	5.5
252.07916	3.6
253.08591	19.2
253.12206	16.8
255.06429	3.8
255.07428	3.6
255.10153	35.5
256.10687	2.8
267.10223	6.1
269.08087	4.4
270.08923	3.0
271.02316	2.4
272.10449	3.1
281.11725	9.0
285.11200	19.2
287.12735	38.6
288.12988	3.1
313.14404	8.0
316.01517	2.9
331.04465	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18138	1.2
54.34050	1.1
57.51721	1.2
65.03952	1.3
67.05500	2.2
70.50835	2.8
79.05500	4.3
79.26207	1.3
81.03419	1.5
81.07061	3.1
91.05473	23.2
92.05833	1.4
93.07067	2.5
94.04197	1.8
95.04964	5.1
98.98457	100.0
100.98866	1.9
103.05457	2.7
105.07023	4.0
106.06551	1.5
107.04951	6.3
109.06536	3.8
111.04425	1.2
115.05407	1.7
115.66667	1.3
116.99528	1.4
117.06985	1.7
119.04919	12.9
121.06509	5.4
122.03664	4.6
123.08054	1.4
123.11699	2.0
128.06230	2.1
129.06989	11.3
131.04909	3.7
134.03586	1.6
135.04430	1.5
135.08041	4.7
136.05237	1.9
137.05960	53.8
145.06519	2.8
149.05960	12.0
150.06761	1.6
151.03946	2.8
151.07529	59.4
152.06215	3.4
152.08006	1.5
157.06473	6.9
161.05975	9.9
161.09604	3.5
162.05487	15.9
162.06718	2.4
163.07530	13.2
165.06961	7.9
165.09163	3.1
166.07680	2.8
167.07253	2.0
167.08517	11.1
169.06439	2.1
170.11786	1.6
174.06763	5.3
174.99265	3.3
175.07593	2.2
176.98929	7.2
177.05565	1.8
177.09102	2.5
178.07794	5.5
181.04939	3.0
181.06529	3.3
182.07271	3.6
189.09076	24.1
191.08597	1.8
192.09389	2.4
193.06494	4.7
193.10112	5.4
194.07304	3.2
195.08038	16.8
196.08612	2.4
197.05952	4.1
202.07965	1.4
203.08521	2.4
205.06506	1.4
206.07066	1.9
207.10165	2.3
209.09682	1.8
210.06824	4.9
211.07498	2.7
212.08275	4.5
220.08855	1.9
221.06004	5.5
221.09512	6.7
223.07510	7.5
224.08412	4.3
225.05620	1.3
225.08971	6.1
227.07007	1.5
227.10609	16.9
237.09053	1.8
238.06209	2.7
240.07695	1.5
247.41194	1.3
249.09151	4.3
252.07867	2.1
253.08577	8.5
253.12167	8.7
255.06491	1.2
255.07481	1.8
255.10117	19.0
256.10556	1.9
267.10172	4.4
269.07999	4.4
269.11505	1.6
271.09821	1.5
272.10361	2.2
281.11685	4.2
284.10297	1.7
285.11157	12.4
287.12708	24.6
288.13080	1.6
313.14618	6.8
331.12036	2.6
331.17169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96405	0.4
67.05502	0.4
71.21784	0.6
72.08173	0.3
81.07040	0.7
85.63481	0.4
86.09715	0.5
91.05495	1.2
95.08612	1.2
98.98460	78.5
100.98867	2.1
105.07014	0.7
107.04971	0.4
109.02837	0.4
116.99532	2.1
119.04971	0.9
123.08075	0.7
129.06998	0.4
137.05978	3.2
149.05992	0.7
151.03882	0.5
151.07544	3.2
153.01869	0.9
162.05487	0.8
163.07552	0.9
165.07031	0.4
174.99208	2.9
176.98923	5.7
189.09106	1.1
195.08002	1.1
198.16217	0.4
203.05258	1.5
227.10660	0.9
245.25075	0.4
252.99644	0.9
253.08786	0.6
254.99327	0.5
255.10246	0.9
285.11212	0.8
287.12778	1.3
313.11194	0.5
313.14615	0.4
331.17233	100.0
332.17560	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	331.1874
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.14728	0.6
54.76695	0.5
57.89391	0.7
63.76269	0.6
69.09720	4.4
73.23779	0.6
78.00889	0.6
79.57533	0.6
79.89048	0.7
83.46436	0.6
91.05466	0.7
97.46627	0.6
98.98457	33.4
100.98910	0.7
103.80042	0.7
145.10095	0.8
159.11696	0.7
173.33287	0.7
174.99214	1.9
176.98920	2.2
309.69150	0.6
331.18744	100.0
332.19208	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1876
Annotation	Carnosol
Peak:m/z	Relative Intensity
57.07047	1.4
69.07706	3.5
69.08123	3.6
72.08118	0.9
85.44997	0.9
87.04460	1.4
88.07625	2.6
98.98452	36.8
99.50370	1.2
131.08591	1.3
174.99213	1.4
176.98813	2.2
226.03824	1.0
230.97795	1.2
232.00983	1.0
330.33566	2.7
331.18759	100.0
332.19070	5.9
349.16629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.51709	0.6
54.70014	0.6
55.26934	0.6
57.07064	1.0
64.05188	0.7
72.08163	0.9
87.04450	1.1
88.07617	0.7
93.02071	0.6
95.04938	0.7
98.22627	1.5
98.98454	27.8
98.99100	1.4
101.06015	1.0
149.39743	0.7
156.17538	1.0
169.95605	0.7
174.99243	1.1
176.98924	1.4
268.29999	1.5
313.17810	1.3
330.33600	3.9
331.18756	100.0
331.29907	1.4
331.34015	3.5
332.19128	6.7
337.94400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1876
Annotation	Carnosol
Peak:m/z	Relative Intensity
61.00361	0.6
69.14004	4.1
76.09228	0.6
94.61671	0.6
98.23531	1.1
98.98460	30.9
145.10165	0.8
164.09898	0.7
174.99202	1.1
176.98918	2.1
227.63454	0.8
331.18765	100.0
332.19092	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	331.2241
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
52.31413	0.8
55.54382	0.7
72.66843	0.9
72.99346	0.9
80.15058	0.7
81.07044	1.1
83.89788	0.8
84.56554	0.8
88.07622	0.9
94.03933	0.9
98.23454	1.8
98.98462	17.8
107.08582	1.1
117.02766	0.8
131.08487	0.8
176.98933	1.2
331.22424	100.0
331.33936	2.8
332.22906	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54641	1.2
55.05260	1.2
55.05497	6.1
56.06079	1.1
57.03422	3.3
57.07072	53.0
58.06599	2.3
58.07400	2.5
65.28912	1.1
67.05501	14.0
69.07069	10.2
70.06586	11.5
70.77956	1.2
71.06331	1.0
71.06918	3.7
71.08628	40.4
71.42224	1.3
72.08974	1.9
74.82869	1.3
75.04474	2.4
79.05453	1.6
81.07053	21.4
83.08615	15.8
85.10175	21.1
88.07632	12.0
89.07937	2.0
91.05476	5.7
93.07017	2.2
95.08599	29.8
97.10172	7.8
98.97823	2.1
98.98463	40.0
99.11721	1.4
101.37413	1.2
102.09158	2.7
105.07043	1.2
106.08650	6.8
109.10150	15.8
111.11727	1.3
116.99480	1.6
119.08533	1.5
123.11707	5.6
125.13291	1.3
131.08513	1.2
133.08270	1.2
137.13254	1.5
145.10078	1.9
151.14848	1.5
174.99193	1.5
176.98932	2.4
188.46831	1.6
196.69870	1.1
203.46893	1.2
239.23627	8.0
254.80530	1.1
257.24728	2.8
303.21689	1.2
313.27341	28.1
313.32623	7.1
314.27884	1.2
331.18948	2.3
331.33975	100.0
332.33499	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25138	1.5
55.05506	14.7
56.24885	1.6
57.03428	7.3
57.07072	100.0
58.06594	1.8
58.07398	2.4
67.05495	25.1
69.07062	20.1
69.21407	9.6
70.06597	7.6
70.36236	1.4
71.08624	61.3
75.04457	2.7
79.05482	2.6
79.52715	1.5
81.07044	33.7
83.08614	24.8
85.09691	2.6
85.10178	34.5
88.07622	9.5
89.06027	3.4
89.07955	3.0
91.05471	2.8
93.07005	2.3
95.08595	45.8
95.09206	2.3
97.10155	12.3
98.22614	2.5
98.98462	46.1
99.11740	3.2
100.98930	1.7
102.09197	2.1
105.06974	1.9
106.08657	3.6
109.10144	22.8
111.11697	6.2
123.11687	11.4
125.13276	1.9
137.13242	5.8
142.07663	1.5
151.09660	1.6
151.14882	2.3
174.99091	1.5
176.98895	3.9
209.74438	1.6
239.23665	11.5
249.12178	1.6
257.24734	6.0
277.05383	1.4
313.21829	2.0
313.27335	46.0
313.32980	4.1
314.27698	3.0
331.22421	3.7
331.26111	2.3
331.33954	72.2
332.33707	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	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90339	0.6
53.03949	1.3
56.96318	0.8
56.96545	4.2
57.03430	1.4
61.02915	1.8
69.03419	3.3
69.07054	1.7
71.04953	1.2
73.02901	0.8
79.05480	4.8
79.83517	0.7
81.03425	1.1
81.07045	2.5
84.04488	1.9
85.02895	11.9
86.09692	1.0
91.05468	0.8
93.06995	0.8
95.04977	4.1
97.02877	3.0
98.98454	22.0
99.04420	1.0
107.04941	100.0
108.05273	2.4
108.08088	2.2
109.02873	1.3
110.97560	1.4
116.10707	1.8
124.07581	1.5
127.03904	2.2
128.98602	1.1
130.04976	1.0
130.06543	1.1
135.04402	24.5
136.04784	0.9
145.04945	1.7
146.99608	4.6
152.07072	1.7
153.05449	60.4
154.05835	1.3
165.00711	1.8
170.11752	1.6
176.98891	1.1
179.03343	0.9
193.01706	2.3
200.12733	4.4
209.01312	1.0
211.02824	2.4
227.02449	0.9
237.00694	4.3
255.01711	13.7
269.07907	0.8
273.02771	12.8
296.10349	0.8
309.02737	2.5
327.03928	3.3
332.13364	0.9
333.15112	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	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
56.96569	4.6
57.03429	5.3
61.02910	12.4
69.03419	20.6
70.70776	3.3
71.05012	2.3
73.02917	4.8
81.03413	6.3
85.02902	100.0
86.03276	3.9
91.03989	3.9
92.34306	2.1
97.02892	24.2
98.97605	2.2
98.97783	3.2
98.98455	32.6
99.04453	5.3
103.03976	3.1
107.04949	32.9
108.08123	9.9
109.02883	9.5
123.04386	2.0
127.03920	20.5
128.98587	3.9
135.04494	2.6
145.04947	36.9
146.99669	3.1
147.04361	2.3
152.07079	6.2
153.05403	10.7
163.06061	5.0
168.09158	1.8
170.08141	5.4
176.98888	2.9
180.08661	8.9
188.09158	4.5
211.25694	2.1
219.06729	2.6
237.00703	3.0
255.01773	6.5
273.02786	9.1
276.09763	2.1
332.10095	2.8
332.13583	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	332.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94516	0.5
55.05502	0.5
56.05026	11.6
57.07067	9.4
58.06595	6.1
60.04519	2.2
68.05007	0.7
69.66360	1.0
71.08627	3.8
74.05640	0.6
74.06068	10.1
75.03149	0.4
80.94849	0.5
83.62910	0.4
85.10168	2.0
86.06052	2.0
88.07617	43.4
98.97510	0.5
98.98458	4.3
104.07095	0.7
105.73907	0.4
106.08629	0.4
118.08636	6.8
122.08119	6.6
185.16945	0.4
258.72940	0.4
270.27924	0.9
284.29437	33.9
285.29834	2.4
314.30527	1.8
332.19089	5.8
332.31531	100.0
333.16565	1.7
333.20337	2.2
333.31860	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	333.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54245	3.2
64.08825	3.4
67.36600	2.7
71.41748	3.5
75.45355	2.7
84.04533	6.4
91.05479	3.6
97.06483	3.0
98.98461	100.0
100.98874	7.4
130.06509	5.7
132.08081	3.8
137.06068	4.8
149.00572	3.4
151.03848	3.0
176.98941	10.0
180.57327	3.5
188.07059	6.0
333.05902	6.9
333.09448	34.0
333.15115	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1178
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
52.15158	1.8
53.03940	3.5
57.03426	4.5
61.02924	3.4
65.03925	9.9
69.03436	11.7
71.01316	2.0
71.04990	2.7
72.08152	2.6
73.02895	2.5
81.03406	4.7
83.04967	7.6
84.04494	2.1
84.08150	2.8
85.02901	40.7
86.09702	3.5
93.03391	5.0
95.50263	1.9
97.02884	9.1
98.98458	28.9
109.02892	4.3
111.04447	45.8
112.91982	2.1
121.02884	2.2
121.03962	4.3
121.41776	2.0
127.03921	7.8
139.03893	100.0
141.05495	2.5
144.37000	2.2
145.04991	5.3
156.04196	4.3
171.06517	82.0
171.60693	1.9
254.99113	1.9
260.14188	2.0
333.07864	4.7
349.98480	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71076	0.4
53.51554	0.4
57.03442	0.4
62.26869	0.4
66.45789	0.4
70.36305	0.9
85.69179	0.4
88.23578	0.4
98.98447	3.2
107.04935	0.6
108.05236	0.6
143.98178	0.5
147.04410	1.9
162.05472	1.6
169.02553	1.0
171.09911	2.1
187.02141	2.3
190.05022	0.6
213.08984	0.7
225.09113	0.8
241.08543	1.2
270.23303	0.4
287.09027	0.6
289.14600	0.5
333.15134	100.0
334.09473	0.6
334.15494	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	333.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18379	1.8
55.05505	9.0
56.05038	4.3
56.66711	1.4
57.03435	4.9
57.07046	1.8
58.06586	1.7
59.08350	1.9
63.65496	2.0
67.05499	19.0
68.05016	1.8
69.03429	4.2
69.07057	20.1
69.14115	3.6
69.14535	8.2
70.06586	22.6
71.04974	6.6
72.08148	17.0
79.05488	5.9
81.03415	2.0
81.07047	29.3
82.06557	4.3
83.04967	3.3
83.06096	7.9
83.08615	7.4
84.04494	93.8
85.02895	6.4
85.06516	2.4
86.09689	6.3
88.11275	2.1
91.05450	8.1
93.07040	8.0
94.06537	3.8
95.08596	6.5
96.08112	1.8
97.06530	2.1
98.22715	4.3
98.98457	42.8
99.04449	1.8
100.57928	1.7
100.98866	2.5
101.07146	1.8
102.05531	7.8
105.07016	12.3
107.08557	9.7
109.10145	27.7
110.06001	1.8
110.09667	22.9
116.07137	1.9
123.11687	29.6
127.07610	2.1
129.06549	2.7
130.05003	25.9
133.10118	23.7
137.05922	2.0
138.09131	27.0
149.09698	1.9
150.12817	2.6
151.11147	15.9
152.07913	2.0
153.01828	2.2
153.12758	1.8
156.10153	15.1
168.12338	2.0
168.12682	1.1
168.13815	57.0
169.12190	4.8
174.11240	31.6
176.98903	5.5
186.14880	74.8
187.13292	2.2
187.15060	2.5
200.12764	2.4
204.15921	69.8
205.16318	4.2
217.40552	1.9
234.14990	3.1
243.13402	1.8
251.17526	3.8
252.15930	10.6
270.16925	3.8
297.18088	31.4
315.19107	100.0
316.17252	16.9
333.20154	67.7
334.20599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41809	0.7
57.03445	0.8
57.07067	1.6
66.92458	0.7
67.05502	2.1
68.47681	0.7
69.07078	0.7
69.20628	2.1
69.21028	1.5
71.45575	0.6
73.95856	0.6
79.05494	1.6
81.07052	1.6
91.05482	2.5
93.07036	2.5
95.08610	2.4
98.98440	4.6
105.07018	3.2
107.08572	1.1
107.70689	0.6
119.08576	2.4
121.10165	0.7
121.12878	0.6
131.08569	1.1
133.10146	2.1
135.08182	0.6
140.76575	0.6
141.65169	0.6
145.10005	0.8
147.11629	0.9
159.76549	0.7
161.13281	0.8
171.60857	0.7
174.21683	0.7
193.04909	0.7
259.20770	0.8
317.94156	0.7
333.16922	4.7
333.20340	100.0
333.23932	4.4
334.17020	1.1
334.20630	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20861	0.5
69.60114	1.6
79.05479	0.9
81.07050	0.6
88.07608	2.2
91.05448	0.7
93.07042	1.1
98.23479	1.0
98.98438	1.5
105.07024	1.3
107.08604	0.9
109.14256	0.5
116.35346	0.5
133.10100	0.6
136.52118	0.5
191.51390	0.5
205.61238	0.5
235.13048	0.7
242.24837	1.8
251.12411	0.9
258.31235	0.5
279.04556	0.6
315.19302	1.0
333.20334	100.0
334.20660	6.2
334.29568	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
57.00756	0.4
57.07085	1.0
58.06579	1.5
61.31150	0.4
70.55885	0.7
74.06076	0.7
86.06103	0.6
88.07626	6.0
98.98452	1.8
100.98969	0.5
132.10211	1.1
242.24771	5.0
261.86115	0.5
275.37766	0.5
278.45328	0.5
286.27267	1.4
313.87894	0.5
332.31558	0.7
333.20309	100.0
334.20633	5.9
334.29425	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38074	0.6
55.81489	0.6
58.06575	0.6
67.05514	0.6
69.96495	1.2
69.96887	1.2
79.05494	0.9
81.07001	0.7
88.07600	2.9
92.03932	0.5
93.07049	1.0
95.08611	1.0
98.23417	0.7
98.98465	1.4
105.06973	0.5
132.10208	0.9
161.16368	0.5
168.56216	0.6
177.43069	0.5
242.24716	2.2
247.13039	3.3
264.13187	0.8
272.40231	0.6
286.27328	1.1
315.19324	6.2
333.20322	100.0
334.20697	7.1
334.29465	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30870	0.4
57.07051	0.6
58.06590	0.5
69.02026	0.4
69.94125	1.2
69.94489	0.6
87.04456	1.0
88.07632	3.2
88.63643	0.6
98.23173	1.0
98.98449	3.4
132.82545	0.4
142.72224	0.4
176.43315	0.5
178.74718	0.6
195.09996	1.3
233.09709	0.5
242.24809	2.8
246.55658	0.5
261.14697	0.5
286.27371	0.7
287.11612	0.9
333.16678	11.7
333.20285	100.0
334.17017	0.9
334.20679	6.6
334.29453	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63275	1.8
80.94824	0.5
88.07619	1.0
98.98465	3.8
100.98897	0.5
101.90434	0.4
106.24543	0.4
125.82471	0.5
134.55988	0.5
176.98981	0.5
198.39966	0.5
205.20023	0.4
232.27463	0.4
235.13045	2.3
242.24829	0.5
251.12396	0.9
312.09198	0.4
333.16821	6.3
333.20297	100.0
334.16855	0.4
334.20602	6.1
334.29465	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59167	0.4
51.68189	0.4
74.33326	0.4
91.05479	0.5
98.23499	1.5
98.98474	0.8
114.79486	0.4
122.66682	0.5
184.93510	0.4
200.49901	0.4
333.20322	100.0
334.20667	7.4
349.54382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.8
57.03435	8.1
58.53781	3.1
67.05500	15.5
69.07068	9.8
71.41779	4.5
77.90835	3.3
79.05495	13.2
79.22388	3.0
81.07055	10.1
83.08606	5.5
91.05490	19.1
93.07049	18.6
95.08612	15.1
96.39369	3.6
98.98476	21.3
105.07020	20.4
107.08593	13.3
109.10130	5.2
117.07073	4.9
119.08593	13.4
121.10102	8.9
131.08548	5.6
133.10144	12.9
135.11697	8.2
145.10170	6.5
147.11671	6.5
159.11745	6.1
188.65388	3.7
231.04024	3.7
241.19495	4.5
250.93108	3.9
273.22318	4.1
313.67020	4.0
315.19312	53.6
316.19852	5.9
332.34338	8.1
333.14169	20.5
333.20358	100.0
333.24219	22.8
333.34204	6.1
334.20520	8.5
334.30289	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	333.2634
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.05498	14.6
56.72783	6.9
57.07055	7.9
58.87754	8.1
67.05494	17.6
70.06559	10.9
71.05079	9.4
79.05489	7.5
81.07043	28.0
83.08625	7.5
86.29333	7.0
88.07599	11.2
91.05465	10.3
93.07021	16.4
95.08594	12.4
98.22879	7.4
98.98463	100.0
109.10175	13.0
109.37880	7.8
143.27553	7.2
176.98994	7.3
185.69818	6.8
225.04381	11.3
227.96187	7.1
228.23228	24.6
241.35352	7.1
270.17712	7.2
271.42905	7.5
279.23148	18.5
333.13046	10.8
333.28046	17.0
334.29480	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	333.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
57.07072	100.0
58.07409	0.9
67.05492	1.3
69.07055	2.5
69.19700	3.6
69.20113	2.1
71.08627	73.3
72.08952	1.3
84.05762	1.0
85.10176	42.0
86.10522	1.0
88.08154	1.0
89.06026	54.7
91.05483	1.0
93.07056	1.5
98.22699	1.8
99.11716	4.7
104.39973	0.8
107.07057	2.5
107.88324	0.8
111.11720	1.3
113.13274	2.2
127.14828	0.9
133.08609	10.3
136.48517	0.9
151.09641	28.6
166.92607	0.9
173.90939	0.8
208.25784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
56.07802	0.8
56.96536	1.0
57.03431	1.3
61.02923	3.5
65.47672	0.8
67.64964	0.9
69.03420	7.6
69.82478	2.7
69.98043	0.9
71.04985	2.0
73.02901	1.1
75.45108	0.8
75.66037	0.8
77.93772	0.8
79.27827	0.9
80.47557	0.9
81.03414	2.9
85.02901	28.8
91.03954	1.1
91.05472	11.6
97.02880	7.1
98.98485	1.1
99.04447	1.7
108.65965	0.8
109.02882	1.9
119.04947	9.3
127.03893	6.0
131.58253	0.9
137.05965	100.0
138.06384	1.6
145.04944	7.2
155.06996	6.8
161.05890	1.1
172.09671	0.9
179.07033	2.0
180.08662	3.3
203.06947	1.7
217.34891	0.9
245.08029	0.9
247.34488	0.8
255.01836	1.2
263.09137	1.4
289.11963	1.1
295.95044	1.0
350.21765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.4
66.04711	1.2
67.10770	1.2
69.03416	3.3
69.43187	5.7
85.02900	7.6
93.43491	1.1
94.04182	1.9
97.02893	2.2
98.98456	3.2
101.31900	1.4
116.98634	1.7
122.03616	5.9
126.37672	1.2
127.03922	2.1
133.65341	1.3
137.05963	100.0
137.77435	1.2
138.06293	4.3
150.68707	1.1
154.08578	1.8
168.83444	1.2
172.06697	1.4
172.09645	3.8
173.05797	1.3
173.07057	3.0
237.00705	4.1
255.01668	3.4
274.10657	1.5
317.11401	1.9
334.11844	9.6
334.15466	6.8
335.11884	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	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66088	0.8
53.03959	1.0
56.96559	0.8
57.03418	1.7
61.02909	4.1
69.03417	5.7
69.32227	5.0
70.60149	0.8
70.98461	0.9
73.02880	1.3
81.03408	3.2
85.02895	23.8
85.39443	0.9
91.03941	2.4
91.05470	12.6
92.95693	1.0
97.02896	7.2
98.23458	1.9
99.04440	1.4
109.02847	2.4
109.06474	1.0
119.04948	8.3
127.03889	4.7
137.05963	100.0
138.06284	2.6
145.04916	7.2
155.07025	5.9
163.05966	0.9
167.23711	0.9
175.07628	0.9
179.06943	1.6
180.08684	2.5
203.07123	1.1
223.97389	0.9
237.00601	1.5
245.08069	1.1
355.55374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79459	1.9
54.31012	1.9
55.01863	4.5
55.05506	14.5
57.03436	11.0
57.07082	9.1
67.05500	51.9
69.07064	14.6
71.04994	2.7
71.08627	12.0
72.04507	71.1
79.05482	25.9
81.07053	46.8
83.04974	2.9
83.08611	7.0
85.06550	4.5
88.07614	2.0
91.05477	17.9
93.07034	38.2
95.04959	16.7
95.08592	48.5
97.06513	6.4
97.10114	2.5
99.08086	6.8
105.07024	14.2
107.08588	19.7
109.06514	24.5
109.10130	11.8
114.09174	17.6
117.07005	3.3
119.08562	11.8
121.06487	4.4
121.10164	13.1
123.11706	2.3
128.10707	7.4
131.08556	8.0
133.10115	11.4
135.08023	6.1
135.11649	4.4
137.09598	3.5
140.10680	2.2
142.12257	3.2
145.10143	4.5
147.11700	6.9
149.13261	7.4
156.13910	2.4
159.11757	4.1
161.13222	1.9
165.12737	100.0
166.13196	3.2
173.13257	8.3
175.11058	3.7
177.12581	2.3
179.14349	2.4
180.13797	4.5
182.15378	14.7
184.13319	2.5
191.14279	7.7
201.12740	4.3
212.16457	12.8
212.23746	2.4
220.16899	9.9
221.39285	2.1
229.19470	3.8
236.20035	38.8
237.20273	2.1
271.20541	6.0
271.35403	1.9
289.21661	7.7
316.26309	5.9
334.17130	2.9
334.20975	3.9
334.27209	40.4
335.21857	38.7
335.25815	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	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01867	1.5
55.05494	1.1
55.29882	0.5
57.03426	1.1
57.76023	0.6
67.05496	1.2
68.37337	0.6
68.99770	1.7
69.03409	1.6
69.07062	3.2
69.21374	3.2
77.03927	1.1
79.05473	5.0
81.03410	1.4
81.07041	1.9
83.04969	1.0
85.02895	2.4
85.30412	0.6
87.00820	0.9
91.05450	2.1
93.07022	2.0
95.04951	2.2
95.08613	0.6
97.06522	2.4
103.05436	1.9
105.03360	1.0
105.04481	0.7
105.07019	2.5
107.08562	1.5
109.02857	1.9
109.06512	0.8
111.04412	0.8
115.05466	1.8
117.06998	2.6
119.08588	1.5
121.06477	1.4
121.10187	1.2
123.04419	56.6
124.04713	1.0
127.03961	0.6
128.06213	1.6
129.06999	3.5
131.04921	3.3
131.08528	2.6
133.06464	2.0
135.08038	0.8
139.05479	0.6
141.07008	5.0
142.07652	0.9
143.08531	1.9
145.06473	3.9
145.10121	2.9
147.04398	2.0
147.07988	0.7
149.05943	2.4
151.03896	1.3
152.06236	2.9
153.06955	6.9
154.07751	3.0
155.08534	10.5
157.06494	1.7
157.10100	2.5
158.07321	1.3
159.04391	1.7
159.08044	5.8
159.11691	0.9
159.22278	0.6
160.05174	1.9
161.05954	3.5
163.03932	1.4
163.11160	0.9
165.05618	1.2
165.06970	9.4
166.07790	6.2
167.08539	4.9
168.05701	1.8
169.05157	1.0
169.06438	5.3
169.10118	5.9
170.07199	1.2
171.08081	1.6
173.05962	8.0
173.09558	4.7
175.03876	2.7
175.07494	2.3
176.04550	0.7
177.05444	4.8
178.07784	3.8
179.06969	1.4
179.08536	19.8
180.05627	1.3
180.09171	1.3
181.06499	5.8
181.10094	8.9
182.07266	3.4
182.97826	0.6
183.04414	0.8
183.08006	13.8
184.05145	1.3
185.05992	4.1
185.09566	7.5
186.06714	2.0
187.03912	0.9
187.07520	21.5
187.11035	0.9
188.08168	2.1
189.05424	2.1
189.07042	1.9
189.08971	0.7
190.06128	0.8
190.07759	2.1
191.03339	1.2
191.08542	6.3
191.10320	1.1
193.04929	5.5
193.06528	2.6
194.07259	8.9
195.06488	0.7
195.08061	5.7
195.11743	0.6
196.05214	1.2
197.05972	8.9
197.09592	10.1
198.06667	2.0
199.07539	8.1
199.11162	2.9
199.67561	0.6
200.04611	1.4
201.09085	73.7
202.09552	3.0
203.03325	1.7
203.07097	0.9
203.10785	0.8
205.04959	1.7
207.08026	17.3
207.09921	1.0
208.08870	3.0
209.06242	1.0
209.09596	27.0
210.06728	11.7
210.10046	1.0
211.07512	21.9
212.08275	5.4
213.05426	3.3
213.07471	2.7
213.09213	5.7
214.06149	1.7
215.06967	2.0
215.10692	2.4
217.08577	1.8
218.07281	0.7
219.08035	3.4
219.10121	2.0
221.04391	2.5
222.06532	0.9
225.05453	6.3
225.09081	100.0
226.06154	2.4
226.09447	4.4
227.07053	4.5
227.10596	5.4
228.07701	1.1
228.11142	0.6
229.04837	1.7
229.08566	19.7
230.09097	1.7
230.12648	1.3
231.10100	0.8
233.04434	1.3
233.07884	0.7
235.07530	8.8
236.08235	1.9
237.05473	1.3
237.09087	18.9
238.06218	4.7
238.09418	0.9
239.07033	7.8
240.07680	0.7
243.06396	0.9
243.10132	7.2
245.08136	1.5
245.11766	5.4
247.09592	1.5
253.08577	52.5
254.09271	16.0
255.06508	1.4
255.10124	12.7
257.04446	1.4
257.08060	6.6
263.06964	2.4
270.05322	1.1
271.09634	46.7
272.09988	2.5
273.07532	5.2
273.10709	1.2
275.09131	3.4
277.15775	0.9
281.08057	34.9
282.08493	1.4
289.10672	20.8
290.10883	0.9
291.08435	4.4
293.06393	2.2
299.09103	42.8
300.09500	2.0
317.10199	11.0
318.10257	1.2
335.11206	16.8
335.15921	1.1
335.19858	3.5
336.11713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
55.05502	1.5
57.03426	2.0
66.97971	0.6
67.05493	1.3
68.99779	1.8
69.03410	0.9
69.07050	3.0
69.31905	3.5
71.01357	1.3
76.09277	0.7
77.03921	0.9
79.05486	6.1
81.03397	1.0
81.07040	0.9
85.02892	2.3
87.00776	0.7
91.05453	2.5
92.37514	0.7
93.07016	1.5
95.04950	2.4
95.08575	1.0
97.06519	9.6
98.52482	0.6
103.05443	2.4
103.27711	0.7
105.03396	1.6
105.04445	0.8
105.07020	2.1
107.08581	1.3
109.02874	0.8
115.05453	2.0
117.07004	2.8
119.04907	1.1
119.08598	1.2
121.06505	0.8
121.10163	0.9
123.04413	65.9
124.04772	1.3
126.09170	0.8
128.06221	2.1
129.06978	3.9
131.04939	3.8
131.08611	1.2
133.06468	1.4
135.04407	0.9
141.06993	5.8
142.07742	1.2
143.08505	1.6
144.05641	1.3
145.06451	2.6
145.10069	2.3
147.04391	2.6
149.05946	3.2
151.03848	1.2
152.06189	3.2
153.07011	5.5
154.07704	2.8
155.08540	11.6
157.06454	2.6
157.10094	3.0
159.04424	1.2
159.08025	6.3
160.05199	1.3
161.05940	2.7
163.03909	1.8
164.06187	0.8
165.05624	1.2
165.06981	10.0
166.07758	6.6
167.08585	4.2
168.05685	2.1
169.06424	4.4
169.10089	6.2
170.07256	1.3
171.07942	1.8
173.05963	5.8
173.09601	3.2
175.03873	2.8
176.04773	1.1
177.05461	6.6
178.07751	3.0
179.06982	1.4
179.08528	19.4
180.09105	0.8
181.06493	5.8
181.10100	7.3
182.07207	3.8
183.04410	0.7
183.08012	12.6
184.05176	1.4
185.05919	2.8
185.09543	5.7
186.06700	1.5
187.03874	3.1
187.07513	17.9
188.08186	1.3
189.05403	2.8
189.06937	1.6
190.07687	2.7
191.03471	1.1
191.08533	5.1
193.04916	6.8
193.06514	3.1
194.07321	6.1
195.06512	0.8
195.08046	4.5
196.05159	0.7
197.05946	8.9
197.09612	11.2
198.06714	1.0
199.07524	5.0
199.11154	2.3
201.09076	73.6
202.09496	3.1
203.03391	1.9
203.07050	1.0
203.10611	1.6
205.04832	0.9
207.08023	18.3
208.08685	3.2
209.09592	26.9
210.06718	8.8
210.09886	1.3
211.07503	23.5
212.08197	5.5
213.05434	2.2
213.07481	3.2
213.09319	4.4
214.06206	1.6
215.06990	1.5
215.10648	2.5
217.06592	1.2
217.08569	1.2
218.07376	1.0
219.07974	3.4
219.10017	1.3
219.29285	0.8
221.04396	3.0
225.05423	6.6
225.09068	100.0
226.06169	1.8
226.09474	3.9
227.06996	2.4
227.10590	6.1
229.04994	1.5
229.08551	16.9
230.09143	1.2
231.02881	1.0
231.10110	1.3
233.04422	0.9
235.07542	9.4
236.08192	2.3
237.09070	16.1
238.06125	3.8
239.07040	6.2
241.08701	0.9
243.10103	6.9
245.08020	1.5
245.11671	5.9
247.09630	1.2
253.08568	48.5
254.09288	13.1
255.10080	10.2
257.04477	1.3
257.08032	5.5
262.80701	0.7
263.06973	2.8
271.09622	44.5
272.10059	2.2
273.07593	1.8
273.11169	1.6
275.09094	3.7
281.08054	31.0
282.08295	1.5
289.10687	21.2
290.11139	1.2
291.08698	1.4
293.06354	2.6
299.09103	40.0
300.09473	2.0
317.10190	13.1
335.11206	14.7
335.18988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01867	6.6
55.05501	1.6
57.03436	4.6
58.14946	0.9
67.05508	1.5
67.56526	1.0
68.99791	4.1
69.03421	17.7
69.07076	2.3
69.30559	3.4
69.30973	2.0
77.03929	1.7
79.05483	8.4
81.03406	2.5
81.07040	1.4
83.04977	3.7
85.02895	83.0
87.00817	15.9
91.05453	8.1
93.07055	1.9
94.12400	1.1
95.04963	2.6
95.08627	1.6
97.02901	1.3
97.06525	14.3
103.03966	1.2
103.05453	6.8
105.01858	2.7
105.07017	57.6
106.07378	1.5
106.09504	0.8
107.08596	1.7
109.02862	1.2
109.06517	1.2
111.00791	4.1
115.05434	9.1
117.07021	11.4
119.08587	2.3
121.06468	0.8
123.04432	3.2
127.03954	1.6
128.06210	2.7
129.06990	8.8
131.04912	7.1
131.08534	4.5
133.06473	79.8
134.06805	2.0
135.08034	3.1
137.05960	1.2
137.09660	1.0
141.03349	0.9
141.06995	4.2
142.07745	2.7
143.04915	5.6
143.08557	9.0
145.06480	4.0
145.10138	4.2
147.04408	3.0
147.08049	1.0
149.05934	8.2
150.74776	1.1
152.06145	1.8
153.01834	2.1
153.06970	3.8
154.07805	1.4
155.04926	1.1
155.08528	11.4
157.06419	2.1
157.10126	1.8
159.04411	3.7
159.08064	4.1
160.05170	2.6
161.05933	7.2
161.09618	1.3
165.07014	3.7
165.12636	0.9
167.08508	4.8
168.05655	2.0
169.06436	1.8
169.10181	1.2
171.02876	10.5
171.08006	5.0
173.05952	12.2
173.09622	3.4
174.06741	1.0
175.03871	1.7
175.07573	2.9
177.05487	6.9
179.08559	1.4
183.04460	1.5
183.08028	11.2
185.06015	1.6
185.09604	6.3
186.06793	2.3
187.03867	19.7
187.05396	1.6
187.07549	4.0
189.03941	15.6
189.05458	1.7
189.09082	9.9
191.10646	5.0
193.04915	4.5
195.08081	1.5
196.05110	1.0
197.05949	1.1
197.09622	2.1
200.04666	5.7
201.05443	9.7
201.09077	18.5
202.09557	1.2
203.10564	4.8
205.04936	1.4
211.07529	6.4
213.09093	7.9
214.06232	2.2
215.10718	4.2
217.08649	1.8
219.10086	8.4
225.09048	5.1
229.04916	4.4
229.08563	100.0
230.08966	3.2
231.02858	1.9
231.10132	4.0
243.10158	8.2
245.11685	1.1
247.06093	1.4
247.09698	2.0
253.08766	1.9
259.44269	1.1
261.11191	4.8
271.09644	8.3
273.07675	1.3
289.10666	20.7
299.09201	2.8
317.10223	5.0
335.11057	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	335.1123
Annotation	Melampodin B
Peak:m/z	Relative Intensity
53.03933	1.0
53.84595	0.6
55.01860	5.3
55.05498	2.9
56.97863	0.7
57.03423	0.7
64.24825	0.6
65.03939	1.4
67.05512	3.4
69.03437	0.6
69.07059	11.2
70.71265	0.7
71.04947	0.7
74.74272	0.6
77.03931	1.0
78.04708	1.3
79.05486	16.1
80.06283	0.8
81.03407	6.9
81.07048	14.1
83.04961	2.2
85.75871	0.6
87.00810	0.7
91.05466	3.1
93.03382	2.1
93.07010	1.5
95.04968	5.9
95.08633	0.8
96.05729	2.2
97.06530	8.3
98.24625	0.6
103.05476	3.4
104.06249	2.4
105.04509	1.7
105.07024	2.1
106.04167	4.2
107.04939	3.0
109.06456	0.7
115.05452	1.6
117.07004	2.3
119.04957	3.6
119.08595	1.2
122.03685	0.7
123.04417	10.3
128.06248	1.5
129.06998	3.0
131.04915	13.4
131.08586	1.7
132.05692	5.0
133.02835	0.9
133.06540	1.1
133.10110	0.9
134.03616	5.2
135.04391	2.4
137.06030	0.9
139.88101	0.7
141.06981	1.3
143.08575	1.0
144.05664	1.9
145.02837	0.8
145.06470	10.0
145.10066	1.1
146.03610	1.0
147.04399	9.9
149.02362	1.7
149.05943	1.0
151.03912	4.7
155.08577	0.9
157.06450	1.3
157.10086	1.3
158.07326	1.0
159.04396	4.3
159.08022	4.0
160.05177	9.5
161.02313	1.1
161.05956	5.2
163.03899	10.8
165.07027	0.7
169.10107	0.8
171.04550	0.8
171.08139	1.0
173.05978	5.5
173.09619	3.0
174.06749	0.8
175.03894	6.6
176.04619	2.5
177.05446	11.1
179.85959	0.6
183.08078	1.1
185.05940	1.6
185.09677	1.5
187.03879	2.0
187.07530	1.6
189.05449	37.2
190.05847	1.6
191.03355	4.3
193.04834	1.0
197.05949	0.7
197.09682	0.9
199.07483	1.0
199.11192	1.1
201.09084	26.2
202.06241	2.3
202.09874	26.2
203.03496	1.7
203.07010	32.9
203.10654	15.2
204.07327	1.4
205.04993	2.4
207.02814	2.3
207.13869	0.7
209.09535	0.9
213.05431	1.4
216.07881	1.5
217.08554	1.2
219.02899	2.2
221.04462	1.8
225.09094	2.3
227.10680	2.5
229.08611	3.9
231.06555	6.5
231.10129	16.4
233.04422	2.8
237.09123	1.0
243.10193	1.7
245.11711	55.5
246.12091	2.2
247.06073	0.7
253.08551	1.9
255.10107	11.6
257.04416	1.0
267.04947	5.1
271.09628	11.6
273.11258	5.1
275.05847	1.4
275.09097	25.8
276.09528	1.7
281.07980	2.1
287.03680	0.7
289.10699	13.4
293.06604	1.9
299.09113	16.4
300.09625	1.0
317.10236	10.3
334.23703	1.8
335.11212	100.0
335.89178	0.7
336.11462	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	335.2191
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
54.52999	0.4
55.05523	0.4
57.07049	0.5
58.06594	0.7
63.89234	0.4
67.05491	0.9
74.06075	0.9
79.05486	0.5
81.07052	1.0
88.07616	2.2
89.07922	1.0
91.89210	0.4
93.07043	1.1
95.08582	0.9
104.07059	0.6
121.06516	0.5
140.05991	0.4
145.10091	0.4
242.24696	0.7
243.25183	2.6
279.16388	0.4
287.27783	1.5
317.21210	0.5
334.29413	1.1
335.21902	100.0
335.29800	11.4
336.22260	6.1
336.25937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.1
58.06605	0.9
60.04531	0.6
67.05495	0.7
69.67307	1.1
74.06071	1.0
74.35125	0.6
79.05457	1.3
81.07047	1.6
86.06062	1.7
88.07628	5.1
89.07951	1.2
91.99842	0.6
93.07040	1.0
95.08613	1.5
104.07115	0.6
105.06975	0.8
105.08147	0.6
109.10138	0.5
132.10217	0.9
133.10266	0.7
145.10056	0.8
166.10646	0.6
173.13297	0.6
177.43956	0.6
242.24765	0.9
243.25092	4.8
287.27777	1.3
293.13794	0.7
322.50186	0.6
334.29425	1.7
335.21890	100.0
335.29803	22.4
336.22266	6.5
336.29950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.1
57.03428	3.7
63.35862	0.5
67.05499	15.1
67.05858	0.9
67.60640	0.7
69.07076	3.8
69.72551	1.4
69.72935	1.0
72.04508	1.1
79.05488	7.9
81.07047	15.2
83.08611	1.6
91.05494	3.7
91.05977	0.5
93.07038	9.6
95.04955	1.1
95.08594	12.2
96.36224	0.6
98.22995	1.5
105.07031	3.5
107.08588	6.4
109.10157	5.1
117.06995	0.9
119.08572	2.2
121.10149	3.8
123.11709	1.5
129.05434	0.8
131.08583	2.2
133.10120	2.0
135.08191	0.5
135.11656	3.1
145.10135	1.3
147.11676	1.3
149.13234	1.5
159.11705	1.4
161.13318	1.6
163.14789	0.7
165.12730	0.6
173.13200	1.2
175.14789	0.7
177.05476	1.3
177.16373	0.6
178.06244	1.3
194.40051	0.6
221.11475	0.8
233.11722	3.0
243.21123	1.4
245.95224	0.5
261.22260	2.1
317.25027	0.7
335.21942	100.0
335.25812	17.8
336.22293	6.8
336.26050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.0
57.03424	2.3
67.05161	0.8
67.05500	9.7
69.07055	2.2
69.81528	1.9
79.05483	4.6
80.94845	0.8
81.07047	7.2
83.08601	0.9
83.71518	0.5
91.05475	2.4
93.07030	5.6
94.55068	0.6
95.04993	0.8
95.08584	5.4
96.08108	0.6
98.23112	1.4
105.07042	1.6
107.08570	2.3
109.10139	3.3
119.08589	0.7
121.10122	1.5
131.08546	0.7
133.10153	1.0
135.11725	1.3
141.52510	0.6
145.10043	0.7
147.11661	1.0
164.91992	0.6
288.91821	0.7
304.51349	0.7
335.21909	100.0
335.25687	9.0
336.22150	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	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74966	0.6
52.56215	0.6
70.08078	1.6
70.08422	1.1
70.64765	0.6
74.87054	0.7
77.50586	0.6
79.05493	0.9
97.77649	0.6
101.99436	0.6
106.91257	0.7
149.55370	0.6
207.62445	0.7
265.93390	0.7
268.13889	0.7
316.71024	0.7
335.21875	100.0
336.22131	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02033	0.4
55.05503	2.0
55.44807	0.4
57.03423	1.9
65.03937	0.5
67.05164	0.6
67.05499	7.5
69.07062	1.7
70.55130	0.8
70.67410	0.5
75.43935	0.4
79.05486	3.2
81.07051	6.1
83.08654	0.8
85.13183	0.4
91.05476	1.7
93.07037	3.9
95.08598	4.7
97.06476	0.5
105.07010	1.2
107.08581	2.1
109.10181	2.5
119.08558	1.5
121.10117	1.5
123.11754	0.5
131.08571	0.5
133.10109	0.7
135.11661	0.7
147.11650	0.6
320.36377	0.5
335.21896	100.0
335.25546	6.2
336.22229	4.7
336.25912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
55.01861	7.2
55.05499	3.7
57.46344	2.1
58.65809	1.6
59.04991	7.9
63.25634	1.8
67.05161	2.3
67.05502	27.2
69.03439	9.1
69.07057	10.3
71.04988	19.7
79.05486	26.4
81.03404	3.8
81.07053	50.4
82.77528	1.7
85.06541	2.0
86.09696	34.0
91.05470	19.4
92.70630	1.9
93.07041	34.7
95.04958	23.4
95.08603	19.5
97.06525	14.2
99.08071	3.1
104.22350	2.0
105.07021	23.3
107.04930	3.1
107.07920	3.0
107.08588	33.3
109.02856	3.1
109.06502	12.3
109.10142	18.5
113.05979	3.6
116.06283	1.8
117.07011	7.1
119.08574	11.1
121.06504	11.4
121.10138	100.0
123.08041	7.5
123.11696	23.1
125.05964	10.8
125.09647	11.5
129.07018	3.7
131.08553	26.1
133.06409	2.8
133.10138	4.1
135.08046	7.9
135.11641	1.7
137.09576	3.5
139.11153	17.8
143.08588	2.4
145.10120	9.7
146.11737	10.5
147.08040	3.8
147.11668	4.3
149.09605	45.2
151.07515	2.8
151.11166	23.2
157.10185	2.7
159.08087	5.8
159.11623	2.6
161.09627	2.4
163.11089	4.6
165.09090	2.0
167.10623	13.1
169.10104	4.3
171.11684	4.2
171.28857	2.0
173.09630	4.5
177.09087	65.6
178.09462	2.9
189.12689	3.8
191.10670	5.4
193.12225	2.5
195.10172	3.5
195.11755	2.4
203.14378	1.9
207.13806	3.1
211.14822	4.8
213.12770	3.7
220.84540	1.7
229.15898	3.0
245.04771	1.8
258.18539	2.6
276.19461	10.1
299.20029	37.6
300.20355	3.8
317.21143	13.0
335.11356	3.6
335.22403	3.0
336.21747	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	335.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01874	5.0
55.05503	31.8
57.03439	22.3
57.07076	6.0
59.69670	3.0
65.03910	4.7
67.05495	92.4
68.88488	3.2
69.07056	37.5
71.04988	23.2
71.94098	2.8
79.05482	71.4
81.07050	90.2
83.08610	14.5
83.59315	3.1
85.06522	4.1
89.48786	2.7
90.71968	2.9
91.05471	84.2
93.07031	89.2
94.07350	3.4
95.04968	29.9
95.08601	76.9
97.06525	10.8
97.10176	6.9
99.08047	4.3
103.05482	3.6
105.04514	4.3
105.07018	100.0
105.07732	5.9
106.07303	3.2
107.08589	64.6
109.06512	12.0
109.10150	31.2
112.61443	3.4
115.05457	9.8
116.06232	7.0
117.07018	29.6
119.07742	6.1
119.08569	92.5
121.10130	38.9
123.08058	10.0
123.11706	11.0
128.06184	11.2
129.06973	22.0
130.07787	10.9
131.08549	84.7
133.10117	98.2
135.08051	16.3
135.11664	25.1
137.09593	5.0
141.06958	11.1
142.07750	18.1
143.08545	41.4
144.09332	5.5
145.10120	74.4
146.10661	3.4
147.07977	4.2
147.11617	17.9
149.09587	9.0
149.13225	7.8
154.07721	6.0
155.08530	14.8
156.09349	25.9
157.10106	57.5
157.72241	3.5
158.10849	21.3
159.11679	27.1
161.09584	10.5
161.13226	11.2
163.11163	3.8
163.14819	4.7
165.06961	9.9
167.08553	7.8
168.09299	4.3
169.10100	22.9
170.10970	7.4
171.11668	34.8
172.12386	5.1
173.13243	59.6
175.14830	20.1
179.08601	9.1
180.09358	6.4
181.10066	15.6
182.10831	6.2
183.11668	18.8
184.12448	4.7
185.13307	14.8
187.14771	22.4
189.12753	5.6
193.10197	15.3
194.10941	6.8
195.11720	21.5
196.12445	7.6
197.13228	28.4
199.14790	32.0
201.16356	6.2
206.10916	7.4
207.11627	11.1
209.13182	18.6
211.14844	11.1
212.15526	10.8
213.12671	6.9
215.14261	4.3
219.11665	5.8
220.12471	4.6
221.13214	18.2
223.14827	15.9
225.16396	3.8
232.12627	4.3
235.14803	13.4
237.16367	11.6
243.21144	6.8
247.14775	9.1
249.16394	7.6
251.17915	10.5
252.18784	3.6
261.16290	3.7
261.22125	3.8
265.19473	7.7
270.76764	4.5
277.19397	18.0
279.17392	5.8
292.21689	5.1
317.22409	4.3
335.23035	17.3
335.25778	46.2
336.25970	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.23664	0.8
53.03929	2.1
53.77783	0.7
55.01864	1.5
55.05258	1.4
55.05506	21.0
57.03431	27.6
57.07059	3.8
65.03923	3.4
67.05494	91.1
69.07059	19.3
69.36084	2.0
69.36494	2.2
71.04976	2.1
77.03912	1.6
79.05481	46.0
80.05807	1.3
81.07044	86.8
82.07380	1.4
83.04967	2.3
83.08611	9.0
85.06520	1.9
91.05467	25.4
93.07031	54.1
95.04948	5.1
95.08593	66.1
96.08917	2.1
97.06502	3.0
97.10175	4.3
99.08067	1.2
105.04496	2.0
105.07011	17.1
106.79607	0.9
107.08575	32.8
108.08975	0.9
109.06493	1.8
109.10135	29.5
110.10542	1.3
111.08091	0.9
117.07014	6.4
119.08566	14.4
120.08908	0.8
121.10117	22.0
123.08086	1.7
123.11698	10.8
129.05452	1.4
131.08554	10.5
133.10109	10.7
135.11665	14.9
137.09593	1.2
137.13246	3.3
145.10117	9.1
147.11667	8.6
149.09570	1.2
149.13243	9.9
159.11705	6.5
161.13220	5.9
163.14763	4.2
173.13252	5.5
175.14821	2.8
177.16357	1.9
187.14812	4.5
191.14215	1.2
201.16226	1.2
202.02603	0.9
205.16010	1.3
217.19608	1.1
243.21021	7.0
261.22144	9.9
279.23035	0.9
291.24020	0.9
317.24796	2.9
335.25748	100.0
336.26120	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	2.5
55.01861	2.4
55.05508	23.4
57.03433	25.3
57.07061	2.6
65.03936	5.0
67.05499	100.0
68.05819	2.0
69.03418	1.0
69.07060	20.5
70.92281	1.5
71.04987	2.3
77.03921	1.5
79.05482	48.7
80.05784	1.1
81.07047	84.1
82.07382	2.0
83.04977	2.1
83.08609	8.1
85.06522	1.7
91.05472	21.8
93.07037	53.0
94.07339	1.0
95.04959	6.9
95.08596	72.5
96.08909	0.9
97.06513	4.5
97.10157	2.8
98.22896	1.0
99.08097	1.6
105.04469	2.0
105.07030	13.5
107.08582	27.7
108.08889	1.1
109.06517	4.1
109.10142	28.3
111.08041	2.3
111.11720	1.0
113.98016	0.8
117.06989	5.3
119.08555	10.3
121.10127	20.7
122.49554	0.8
123.08050	1.9
123.11691	9.9
129.07022	0.8
131.08548	8.6
133.10107	11.0
135.11693	14.7
137.13222	2.3
145.10075	7.1
147.11684	5.8
149.09584	1.4
149.13243	6.3
151.11203	1.0
153.12817	0.9
159.11694	5.7
161.13261	4.8
163.14801	2.9
164.83086	0.8
173.11995	0.9
173.13181	4.3
177.16437	1.1
179.14296	1.5
187.14876	2.9
201.16408	1.6
223.17140	0.9
231.69791	0.8
243.21039	5.3
261.22076	8.6
262.22357	0.9
277.21738	1.3
317.24963	4.3
335.25769	95.7
336.26077	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.08478	1.1
53.03937	2.4
55.01844	1.3
55.05507	27.0
57.03431	30.3
57.07064	3.0
63.49623	1.4
64.00628	1.1
65.03925	4.8
67.05496	100.0
68.05807	2.2
69.06660	9.6
69.07051	25.8
71.04989	3.5
79.05485	54.3
80.05830	1.6
81.07047	86.5
82.07372	2.2
83.04980	2.3
83.08601	8.5
83.43929	1.5
91.04936	2.2
91.05473	25.9
93.06443	2.8
93.07034	54.7
95.04943	5.4
95.08595	69.0
97.06515	4.8
97.10126	1.9
98.22705	3.2
98.98416	2.0
103.05412	1.3
105.04507	1.6
105.07019	16.3
107.08577	21.1
109.06498	4.6
109.10141	26.5
110.10580	1.1
111.08078	2.9
117.07042	6.4
119.08578	13.0
121.10123	21.0
123.08063	1.8
123.11702	6.5
131.08548	6.6
133.10132	9.3
135.11679	9.9
137.09598	1.3
137.13242	2.1
139.31285	1.2
145.10106	4.2
147.11649	4.7
149.13216	5.2
157.88904	1.4
159.11673	3.5
161.13269	3.2
163.14839	3.1
163.91608	1.2
173.13173	2.7
243.21043	2.0
261.22021	4.7
335.22220	3.8
335.25745	83.9
336.26086	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.77402	0.9
53.03939	3.2
55.01854	1.4
55.05503	26.9
57.03431	27.1
57.07069	4.8
57.14253	0.6
61.19472	0.7
61.86940	0.6
65.03936	4.2
67.05494	100.0
67.71439	0.6
68.05824	1.1
69.07057	24.5
69.12913	0.8
71.04979	2.6
71.08627	2.5
71.42102	0.8
77.03907	1.4
79.05482	57.6
80.05833	1.2
81.07045	90.8
82.07362	1.8
83.04969	2.2
83.08605	9.4
85.06542	1.5
85.10140	1.1
89.06018	1.6
91.05466	25.8
93.07031	57.6
95.04952	7.8
95.08593	67.8
96.08929	1.2
97.06509	3.0
97.10174	3.4
98.22779	0.9
98.53876	0.7
99.08099	1.0
100.60165	0.8
105.04509	2.9
105.07013	14.9
107.08577	25.9
109.06509	2.6
109.10135	27.6
110.10507	1.1
111.08056	2.4
117.07023	4.4
119.08564	10.8
121.10132	22.8
123.08080	1.3
123.11700	10.2
125.09660	1.1
131.08546	8.1
133.08607	0.8
133.10104	9.3
135.11671	12.4
137.09570	1.0
137.13248	3.1
145.10109	6.7
147.11662	6.6
149.13223	8.2
151.09648	2.2
159.11687	4.7
161.13266	5.0
163.14809	1.8
165.12698	1.0
173.13248	5.9
175.14844	1.7
177.12808	0.8
187.14749	2.5
200.47966	0.7
201.16318	1.0
243.21033	1.8
261.22119	4.7
296.25345	0.7
304.94626	0.8
317.24689	1.6
335.25757	94.6
336.26074	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	336.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	96.9
69.41384	9.9
69.51385	2.1
70.06584	3.6
74.97601	15.0
80.59010	2.0
86.97592	4.8
89.56644	1.9
98.22919	6.8
101.05412	1.8
107.04954	6.8
107.16006	1.7
114.97031	4.0
132.98094	14.2
137.05992	3.3
143.11723	2.1
150.99133	35.9
163.00708	3.3
165.02264	5.7
169.00230	17.4
181.01767	2.5
183.03314	11.7
185.01346	2.2
193.01720	74.9
201.04332	11.2
207.01671	2.9
211.02771	100.0
212.03018	2.9
227.02283	5.5
229.03824	5.1
237.00858	2.4
240.05441	4.6
240.38995	2.1
241.03809	2.0
245.03299	5.4
251.02271	8.9
253.00266	2.1
255.01738	25.3
267.01834	3.4
269.03339	13.2
270.53708	2.0
271.01224	3.6
273.02893	4.4
288.92389	3.0
295.01303	6.1
313.02258	17.6
331.03467	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	336.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85093	1.3
55.01866	2.6
55.05508	20.4
57.03438	4.5
57.07075	3.6
58.99582	6.5
67.05497	26.6
69.03418	2.5
69.07058	21.0
69.90034	2.0
71.04983	11.8
76.02219	8.2
79.05482	18.3
81.07047	78.9
82.07395	1.7
82.79980	1.3
83.04973	4.7
83.08610	17.3
85.06537	19.6
86.99047	6.4
87.04456	1.9
91.05471	21.3
93.07027	22.0
95.04964	2.8
95.08594	100.0
96.08928	2.3
97.06520	28.3
97.10155	8.7
98.06870	5.6
99.08089	10.2
105.00069	10.3
105.07021	29.8
107.08582	12.0
108.99059	1.5
109.06524	3.4
109.10142	9.4
111.08076	5.6
113.09639	4.4
115.07578	1.8
117.06988	1.4
119.08562	43.1
120.08942	1.8
121.10139	12.5
122.01302	1.5
122.02711	13.1
123.08039	6.8
125.09644	1.9
127.07587	1.6
133.10120	30.4
135.11668	19.9
137.09570	5.2
137.13232	17.2
141.09065	1.5
147.04431	1.3
149.13245	4.1
151.14754	1.3
161.13239	96.0
162.13582	3.9
167.14284	3.4
179.14281	86.1
180.14641	3.7
185.15369	2.9
197.15343	66.9
198.15681	3.4
209.41312	1.4
215.16406	10.6
229.12634	4.7
255.14156	3.7
273.15103	4.6
274.08154	1.5
318.10593	2.5
318.17102	1.9
319.15683	18.1
336.18198	15.1
337.21524	1.5
353.15390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08624	2.2
55.65939	1.8
63.03382	2.0
69.14861	7.2
69.15260	4.6
86.25806	1.9
93.07121	1.8
94.96352	1.7
98.23428	5.2
135.76628	2.0
136.82585	1.9
157.73608	2.0
200.57103	2.3
337.08844	100.0
338.09052	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	Unknow
Peak:m/z	Relative Intensity
56.96557	22.6
64.55804	3.5
69.49343	2.9
73.05304	3.0
80.66896	3.3
98.97580	8.8
110.97545	6.9
116.98591	3.4
128.98589	10.3
140.98592	4.4
156.98062	9.9
158.99619	6.2
174.99123	11.5
178.39336	3.3
182.99701	4.7
187.96030	3.2
201.00688	8.9
219.01756	7.3
237.02856	6.4
247.18669	3.4
251.04376	6.3
255.01524	6.4
261.02661	4.5
273.02817	7.1
279.03983	4.2
293.05536	7.2
329.79959	3.0
337.08762	100.0
341.16833	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	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04747	0.4
67.05484	1.0
69.45513	2.2
77.69729	0.5
81.07047	0.8
85.02876	0.5
91.05481	1.0
93.07043	0.9
105.07053	0.8
109.06516	0.6
119.08570	0.8
131.08594	0.7
136.07550	3.1
137.05954	0.6
138.05467	1.0
145.10117	0.6
147.08054	0.8
161.05937	0.7
164.07098	1.5
166.05019	0.5
169.06462	0.6
175.03673	7.9
185.04196	12.7
203.10658	1.6
227.10632	1.1
239.01088	0.4
240.28416	0.4
255.10164	1.1
259.10706	0.5
273.11282	1.6
283.09634	0.5
301.11084	1.3
301.17929	0.5
305.06171	0.7
319.12735	1.3
319.19016	1.2
337.08896	100.0
338.09357	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	337.1747
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
51.75245	0.5
55.05513	0.5
58.82473	0.5
62.06102	0.8
66.51775	0.5
67.05485	1.0
79.05488	0.6
81.07041	1.2
91.05468	0.7
95.08601	0.9
98.23079	3.1
104.85509	0.5
105.06995	0.7
107.08622	0.6
109.10148	0.7
114.77271	0.4
162.93968	0.5
173.05392	0.7
180.88434	0.5
234.06789	0.6
262.06256	0.6
305.08176	0.6
314.16287	0.7
320.25882	0.5
337.10516	9.1
337.17447	100.0
337.23120	3.7
338.17783	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	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
54.20562	1.3
55.01870	5.4
55.05507	22.7
57.03437	17.6
57.07071	19.5
61.02916	3.2
65.03907	1.8
67.05504	19.4
69.03425	18.7
69.07070	16.4
70.76575	2.2
71.01337	2.8
71.04990	9.1
73.02906	11.2
73.06554	4.9
78.57504	1.6
79.05481	30.9
81.03428	3.0
81.07050	35.6
82.07396	1.6
82.94419	1.4
83.04980	9.6
83.08617	7.5
85.02894	10.2
85.06537	25.0
87.04465	3.2
91.05471	14.6
93.07033	15.7
95.04962	8.1
95.08612	10.9
97.02856	2.0
97.06520	7.6
97.48997	1.3
99.04449	9.2
99.08064	6.5
99.69998	1.3
103.03957	5.8
103.07590	2.2
105.07045	2.6
107.08593	9.1
109.06509	17.5
109.10170	1.9
111.04421	3.3
111.08073	30.7
112.08360	2.5
115.03925	4.3
115.07591	2.6
115.69045	1.5
117.07014	2.4
120.48669	1.2
123.08078	5.2
124.97713	1.5
125.09620	6.1
127.07552	15.6
129.05461	2.3
129.09126	4.8
133.10115	32.8
135.08038	4.7
141.09117	2.4
145.08575	1.6
149.09602	100.0
150.09949	3.3
153.09094	24.2
153.10254	2.0
171.10149	26.3
189.11258	4.4
337.27133	3.1
357.49707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2007
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
55.01874	1.5
55.05504	3.7
57.03434	1.9
65.03934	1.0
67.05506	7.3
69.03432	2.1
69.07062	2.2
69.33217	4.3
70.65952	0.9
71.04987	1.6
79.05485	8.9
81.07053	10.0
83.04963	3.7
85.02906	2.1
85.06542	1.8
91.05476	12.7
93.07037	14.5
95.04980	5.0
95.08589	11.5
95.95780	0.9
95.96459	0.8
97.06532	6.1
98.23505	1.1
99.04436	1.5
105.07023	16.3
107.04939	3.4
107.08587	9.8
109.06506	5.4
109.10138	2.9
111.08068	3.6
113.06001	3.2
115.05480	1.2
117.07034	6.0
119.04966	1.1
119.08574	11.6
121.06492	9.8
121.10101	4.1
123.08076	4.7
125.05996	1.4
125.09605	1.0
126.09161	4.5
128.06166	1.8
129.06973	6.6
131.08554	14.3
133.06468	2.4
133.10129	9.8
135.04401	1.4
135.08026	4.6
135.11684	3.6
136.07585	1.5
137.05992	2.3
138.05453	1.0
139.07526	5.1
141.07007	2.3
141.09084	2.4
142.07802	2.5
143.08557	13.8
145.06470	2.4
145.10124	14.6
147.08038	10.3
147.11621	5.6
149.09590	4.6
149.13335	1.3
150.05443	1.5
151.07527	1.3
151.11259	0.9
155.08560	7.6
156.09308	1.6
157.08760	1.2
157.10127	12.0
159.08035	3.8
159.10300	1.0
159.11681	5.5
161.09616	9.8
161.13249	2.9
163.03955	1.0
163.07545	1.1
163.11195	3.1
164.06982	1.6
165.09064	2.1
166.05013	5.9
167.08563	1.8
169.10117	5.8
171.08102	3.1
171.11676	17.9
173.09615	8.7
173.13240	2.6
175.03670	7.7
175.11131	6.8
176.07048	1.1
179.10655	1.4
181.10138	4.5
182.10941	1.8
183.11725	6.3
185.04260	1.1
185.09660	2.2
185.13252	4.8
187.11206	4.9
187.14818	1.4
189.09117	2.1
189.12735	7.9
191.10667	2.8
193.10149	1.9
194.04437	3.7
195.11639	5.6
197.13234	6.7
199.11168	2.8
199.14841	5.8
201.12794	1.1
203.10722	1.4
205.10164	1.1
207.11768	2.1
208.12550	1.1
209.09595	1.0
209.13271	3.8
211.11275	1.5
211.14809	2.9
212.05443	1.3
213.12776	3.2
213.16370	8.6
215.14307	4.9
217.15910	5.0
221.13327	1.8
223.11259	1.9
223.14796	7.8
225.12721	4.9
227.14336	3.1
227.17966	2.1
229.15944	1.7
231.17467	1.3
233.15260	1.1
237.16364	6.1
239.14357	2.1
241.15814	5.7
243.13869	3.6
247.14780	3.4
247.17012	1.2
255.17421	11.3
259.16974	2.2
265.15854	12.0
266.21191	1.1
273.12259	1.7
273.18518	9.1
274.18729	1.2
283.16885	24.1
284.17209	1.3
291.19684	1.3
301.11890	3.3
301.17978	26.5
302.18301	1.9
319.12823	3.0
319.18994	35.0
320.19232	2.6
337.20074	100.0
338.20551	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	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33329	1.0
55.01856	1.4
55.05498	2.6
67.05500	5.6
69.03405	1.9
69.07054	3.5
69.34012	4.7
71.04958	1.4
73.39772	0.7
79.05482	6.8
80.17855	0.9
81.07049	12.4
83.01358	1.5
83.04967	3.0
84.04497	1.0
85.02892	1.4
85.06538	1.0
91.05471	10.7
93.07034	13.8
95.04967	3.6
95.08602	11.5
97.06514	5.7
99.04452	2.2
105.03399	1.8
105.07018	17.4
107.04960	3.3
107.08575	9.1
109.06505	4.0
109.10134	2.5
111.08063	3.4
113.05992	3.0
115.05377	1.3
117.07026	4.7
119.08556	11.1
121.06482	9.1
121.10104	3.5
123.04443	1.4
123.08026	5.1
123.11713	1.1
125.05952	1.8
126.09118	3.3
128.06226	3.4
129.05492	1.2
129.06984	6.6
131.08566	11.5
133.06471	2.3
133.10133	10.7
135.08046	5.4
135.11676	3.2
136.07486	1.0
137.05951	3.0
137.09607	1.7
139.07539	4.8
141.07047	1.3
142.07756	1.1
143.08554	13.3
145.06429	2.2
145.10089	14.5
147.08038	9.1
147.11667	5.6
149.09604	4.4
151.07523	1.3
151.11147	1.3
155.08539	6.8
156.09227	1.2
157.10123	15.0
159.08029	3.2
159.11624	6.7
161.09615	9.6
161.13271	4.2
163.07549	1.3
163.11180	3.6
165.07005	0.8
165.09048	1.4
166.04955	2.6
167.08618	2.0
169.10083	4.5
169.31491	1.0
171.08051	3.2
171.11659	16.5
173.09595	8.9
173.13210	4.9
175.03645	6.9
175.11192	7.0
177.09074	1.3
179.08658	1.0
181.10164	5.2
182.10930	2.0
183.11719	4.4
185.09721	1.5
185.13274	3.9
187.11188	5.8
187.14726	1.8
189.09108	3.3
189.12709	8.0
191.10690	4.1
193.10048	1.4
194.04440	2.2
194.10776	1.0
194.37883	1.1
195.11711	6.1
197.13261	6.1
199.11136	3.3
199.14787	5.9
201.12683	1.6
203.10611	1.0
205.12294	1.6
207.11700	2.1
209.13225	2.3
211.14842	2.5
213.12761	2.9
213.16393	7.5
215.14304	5.6
217.15865	5.0
219.11725	1.2
221.13271	1.7
222.13950	1.1
223.14784	7.9
225.12592	4.2
227.14287	3.4
227.17841	2.1
229.15834	2.0
231.13687	1.1
231.17303	1.8
233.15407	1.4
237.16371	7.5
239.14201	1.6
241.15901	5.5
243.13710	4.9
245.15358	2.0
247.14902	1.7
247.17104	1.1
255.17407	12.2
255.19853	1.1
259.16962	2.5
265.15833	10.8
273.08020	1.1
273.18423	10.0
283.16882	20.5
284.17468	1.5
291.19635	1.0
301.11981	1.8
301.17947	25.9
302.18567	1.3
319.12814	3.0
319.19003	35.1
320.19296	3.5
337.20053	100.0
338.20499	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	337.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79230	0.5
62.06065	1.8
67.05517	0.7
71.02022	0.9
79.05482	0.7
79.58758	0.5
95.08577	0.6
96.92215	0.8
153.08786	0.7
195.24715	0.5
213.56712	0.5
320.25861	1.3
337.23438	100.0
338.23730	5.6
354.25961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78590	0.8
53.03920	1.5
54.96614	0.7
55.01856	2.2
55.05506	39.0
57.03431	30.2
57.07069	8.7
65.03912	3.7
67.05499	87.5
69.07059	45.2
69.07450	1.8
69.44946	3.4
71.04977	3.2
71.08607	2.8
79.05486	22.4
81.07048	92.0
82.07378	2.1
83.04971	3.3
83.08611	29.1
83.91977	0.7
85.06528	2.4
85.10174	1.6
91.05474	13.3
93.07030	21.2
95.04952	3.1
95.08597	75.8
96.08918	1.7
97.06519	5.8
97.10159	14.3
99.08085	2.0
101.06044	1.1
105.04493	0.8
105.07014	11.2
107.08582	11.6
109.06509	1.4
109.10140	29.2
111.08060	1.9
111.11723	3.9
113.09610	0.9
115.07543	0.8
119.08565	9.8
121.10126	12.5
123.07993	1.6
123.11689	13.5
125.09619	2.0
133.10115	8.8
135.11681	6.8
137.09581	1.6
137.13214	3.7
147.11661	6.6
149.13225	4.4
151.11163	1.1
151.14830	1.5
153.12680	1.0
159.11792	0.8
161.13228	5.1
162.81308	0.7
163.14792	2.8
165.63364	0.9
167.54494	0.8
175.14807	4.1
179.17917	1.1
193.15883	1.0
245.22568	5.8
263.23712	9.1
269.09073	0.8
273.60941	0.8
273.94922	1.0
337.27322	100.0
338.27689	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	338.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.5
67.05498	3.3
69.03433	5.7
70.06584	3.9
71.04988	3.7
79.05484	1.8
81.07034	2.0
83.04958	1.7
85.02888	1.1
85.06530	18.6
88.07626	1.6
89.03915	5.2
91.05473	100.0
95.11261	1.2
97.02907	2.5
107.04982	1.4
117.03376	8.3
128.14571	1.5
130.08653	8.3
135.04391	12.0
137.05960	2.3
141.09129	6.6
145.02826	8.3
147.74544	1.2
158.06020	3.6
159.10141	7.1
160.46822	1.3
163.03897	41.2
164.04227	2.3
176.07040	1.6
176.09161	6.0
177.05400	3.3
204.10991	1.6
219.08292	1.6
228.10991	2.1
274.11374	1.8
302.10703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.5
55.05508	4.9
57.03413	3.5
67.04753	2.7
67.05463	3.4
69.03413	11.0
70.58439	3.8
78.96518	2.6
79.05503	6.1
81.03410	8.8
81.07052	21.0
83.04966	3.0
83.06082	2.9
85.02908	13.2
93.07026	2.5
95.08607	18.3
97.02914	4.0
97.06528	62.1
105.07038	3.6
109.02911	3.0
110.07153	23.3
117.03345	4.8
120.08909	2.6
123.08078	22.9
135.65526	2.7
141.09097	100.0
142.09354	2.7
145.02832	12.2
156.07654	8.3
159.10179	8.6
161.09280	2.8
162.10257	7.5
176.07133	8.8
177.05453	22.8
188.08177	22.6
215.31140	2.6
292.16470	4.0
303.13351	6.1
322.13870	38.0
338.12302	4.0
338.16867	6.8
338.20306	6.3
339.16638	10.7
363.96857	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	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.5
55.05508	4.9
57.03413	3.5
67.04753	2.7
67.05463	3.4
69.03413	11.0
70.58439	3.8
78.96518	2.6
79.05503	6.1
81.03410	8.8
81.07052	21.0
83.04966	3.0
83.06082	2.9
85.02908	13.2
93.07026	2.5
95.08607	18.3
97.02914	4.0
97.06528	62.1
105.07038	3.6
109.02911	3.0
110.07153	23.3
117.03345	4.8
120.08909	2.6
123.08078	22.9
135.65526	2.7
141.09097	100.0
142.09354	2.7
145.02832	12.2
156.07654	8.3
159.10179	8.6
161.09280	2.8
162.10257	7.5
176.07133	8.8
177.05453	22.8
188.08177	22.6
215.31140	2.6
292.16470	4.0
303.13351	6.1
322.13870	38.0
338.12302	4.0
338.16867	6.8
338.20306	6.3
339.16638	10.7
363.96857	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	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.5
55.05508	4.9
57.03413	3.5
67.04753	2.7
67.05463	3.4
69.03413	11.0
70.58439	3.8
78.96518	2.6
79.05503	6.1
81.03410	8.8
81.07052	21.0
83.04966	3.0
83.06082	2.9
85.02908	13.2
93.07026	2.5
95.08607	18.3
97.02914	4.0
97.06528	62.1
105.07038	3.6
109.02911	3.0
110.07153	23.3
117.03345	4.8
120.08909	2.6
123.08078	22.9
135.65526	2.7
141.09097	100.0
142.09354	2.7
145.02832	12.2
156.07654	8.3
159.10179	8.6
161.09280	2.8
162.10257	7.5
176.07133	8.8
177.05453	22.8
188.08177	22.6
215.31140	2.6
292.16470	4.0
303.13351	6.1
322.13870	38.0
338.12302	4.0
338.16867	6.8
338.20306	6.3
339.16638	10.7
363.96857	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	338.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61040	0.9
54.10611	0.9
55.01872	1.0
55.05499	1.8
58.14529	1.0
67.05495	3.0
69.07057	11.9
71.42891	0.9
79.05479	3.6
81.07040	7.6
81.85193	1.0
83.04969	3.4
86.09696	100.0
87.10014	1.1
88.03990	1.2
91.05482	7.2
93.07040	9.8
95.04957	1.9
95.08612	2.7
97.06499	1.1
98.97554	6.4
99.47551	0.9
105.07005	10.1
107.08568	3.0
108.04480	3.3
109.06506	7.8
109.10140	1.4
111.08040	1.6
116.98606	3.6
119.08536	2.4
121.10177	1.5
128.10707	4.9
131.08533	3.2
133.06493	1.0
133.10106	13.3
134.99661	1.9
135.11661	1.0
136.03934	1.5
146.11737	30.3
147.11665	7.5
149.09554	1.4
149.13287	1.1
151.07506	3.0
151.11162	30.4
152.11537	1.8
154.04945	1.3
156.10172	1.2
165.12756	2.3
168.06500	2.3
175.11154	2.7
186.07585	2.8
193.12169	2.4
198.98824	1.5
222.14961	2.0
256.96548	1.5
260.20050	5.5
274.97473	9.2
278.21127	29.9
279.21451	1.8
292.98438	4.3
306.20618	3.1
318.45236	0.9
320.22113	3.0
338.19275	1.9
338.23209	17.2
338.26688	2.5
338.96628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01863	1.4
55.05506	9.9
57.03412	1.0
57.07052	2.0
62.06081	100.0
65.03939	1.7
67.05495	19.1
69.07064	11.8
71.04975	2.6
77.79248	1.0
79.05478	15.8
81.03410	20.9
81.07047	14.2
83.04958	4.7
83.08588	4.2
88.78253	1.2
91.05453	6.1
93.07034	10.5
95.04955	11.9
95.08572	7.2
97.10136	2.8
98.06001	1.9
98.22733	3.7
98.97559	3.6
105.07031	6.1
107.08565	9.5
109.06506	3.6
109.10168	6.2
116.98606	3.3
119.08558	3.9
121.10108	2.3
123.07998	1.2
123.11736	1.8
124.11208	8.9
125.09568	1.5
133.10104	6.2
134.99664	1.4
135.08061	1.3
135.11670	2.7
143.74277	1.2
145.10034	1.5
147.11635	3.8
149.13235	2.5
151.11183	8.4
161.13222	3.3
162.68832	1.2
165.12715	1.4
168.13852	3.2
170.11729	3.1
171.11658	1.2
196.11472	1.8
196.13297	35.8
214.14359	64.2
241.19241	1.4
249.21950	1.4
260.22861	1.1
268.03812	1.3
274.97549	6.4
277.21536	15.7
277.24457	1.4
278.22101	1.9
292.98480	3.1
309.32495	1.2
320.25778	44.0
321.24149	4.4
338.10611	1.4
338.17712	2.2
338.26852	25.0
338.30414	4.4
339.27151	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61961	2.1
56.96558	76.5
65.76750	2.3
67.25068	2.3
70.91977	2.6
72.82931	2.5
84.96026	33.5
91.05513	2.3
98.23029	3.0
98.97565	46.2
102.97056	3.7
110.97601	2.7
116.98601	34.5
133.88570	2.2
134.99638	22.1
136.07593	5.2
147.04381	3.0
151.00638	4.4
152.06892	2.9
163.00679	7.2
164.07057	2.9
165.02179	14.2
167.00218	3.1
168.00978	2.8
181.01750	7.8
183.03273	24.2
185.01248	6.7
187.02818	2.8
189.02191	4.0
193.01717	23.9
194.99562	4.1
201.04320	25.6
203.02234	4.7
207.03267	42.3
208.03702	3.3
211.02789	20.2
213.00754	6.0
219.01793	3.5
219.22925	2.3
225.04332	52.6
227.02313	8.4
235.02780	17.9
237.00743	16.1
237.02811	4.2
245.03329	7.2
249.04356	3.7
253.03810	32.0
255.01740	100.0
255.04413	4.9
256.02197	2.7
271.04767	16.8
273.02780	25.8
277.03867	7.1
279.01773	8.2
295.04904	6.9
297.02780	26.4
315.03809	26.2
339.04102	19.0
339.10886	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41761	2.1
55.40149	2.5
56.96287	4.9
56.96560	65.7
57.42537	2.2
70.61673	4.2
84.48000	2.5
84.96028	25.5
90.37494	2.3
91.05470	3.3
98.23016	5.0
98.96980	4.4
98.97575	48.3
100.12358	2.5
102.97033	4.5
105.31409	2.6
105.42795	2.5
109.46673	3.0
116.98615	35.0
128.98613	3.1
134.99655	28.2
136.06163	4.6
139.66795	2.3
147.04405	4.4
148.06163	17.9
151.00653	2.3
153.00650	2.8
157.66945	2.7
161.05983	3.7
163.00594	5.9
165.02249	12.8
167.00095	2.8
169.01729	3.1
176.30540	2.7
177.05397	3.2
179.00165	4.8
181.01688	6.8
183.03300	23.8
185.01207	4.4
189.02205	4.4
193.01628	19.1
194.99654	3.6
197.01337	3.2
201.04300	25.0
203.02209	5.0
206.61278	3.0
207.03281	49.6
208.08282	36.3
211.02760	23.0
213.00627	9.4
217.01736	5.2
219.01775	6.1
222.91632	2.5
225.04346	44.2
227.02217	5.9
231.01782	3.1
235.02780	22.3
237.00645	16.7
237.02779	6.5
245.03328	6.2
249.04356	7.7
253.03836	31.1
255.01761	100.0
255.04417	5.7
256.02072	4.0
271.04865	17.6
273.02829	20.7
274.97418	7.5
277.03815	8.8
279.01700	11.8
295.04492	5.7
297.02792	31.5
315.03885	26.6
333.04929	4.3
339.04028	18.3
339.10678	7.8
340.12158	7.9
357.05026	3.4
358.98669	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	339.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	17.0
61.09861	3.5
70.06602	5.4
95.05001	4.1
98.97575	25.2
100.75581	3.9
101.00861	18.0
103.05446	5.1
107.04951	13.9
110.07143	5.8
116.98624	12.5
117.59854	3.4
119.01920	83.0
119.04896	3.7
123.04401	5.0
123.15918	3.0
131.04906	5.0
134.99648	7.8
135.04422	16.4
137.02974	21.4
144.32625	3.7
147.04391	8.9
149.05989	9.8
158.01215	4.4
158.99791	5.8
167.02045	4.0
168.02655	18.5
171.10936	3.9
177.00963	20.5
177.02458	9.1
177.05472	7.6
178.01039	4.0
181.03458	18.7
181.13541	4.0
183.05066	9.5
186.03784	6.4
191.01897	23.4
193.03444	11.8
195.05011	11.7
198.98776	4.8
199.04539	9.9
201.02116	10.6
207.03264	6.7
207.04991	37.2
208.96077	3.4
209.02930	87.7
210.03209	7.1
211.04500	18.1
214.04033	3.8
218.03723	6.3
219.01950	24.8
220.02094	5.1
221.06686	4.0
223.04465	6.6
224.53812	3.8
225.06053	41.4
226.04126	22.0
227.03972	4.1
228.05502	8.6
229.05623	9.6
232.96413	4.4
235.04538	33.7
237.02496	11.8
237.05838	4.6
243.06941	18.3
244.05171	15.5
245.03265	3.6
249.06064	68.2
250.05835	6.0
251.03914	10.5
253.05544	77.1
254.05785	5.5
255.01631	6.0
255.06741	4.0
256.96469	4.7
261.03110	5.8
262.05246	14.6
267.07120	91.3
268.05136	8.7
269.05020	6.1
271.06573	11.3
274.97522	18.2
277.05591	13.4
279.03619	6.1
279.07730	15.4
280.06140	12.5
280.11441	4.2
290.08557	4.4
292.98462	13.4
293.04938	6.7
295.06583	39.9
297.04443	12.6
297.08633	23.2
298.07278	34.2
298.12476	8.5
299.07388	4.7
311.06107	10.8
313.07651	29.4
315.05450	10.4
315.08786	100.0
316.08807	11.9
321.04865	6.1
321.08981	14.3
339.05566	31.5
339.10147	29.5
339.15567	3.3
351.31918	3.6
352.80960	3.7
357.11008	72.6
358.11133	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62904	0.6
56.96556	5.8
69.03421	0.8
71.42119	0.6
84.96025	2.2
97.06504	1.0
98.97569	9.7
108.14911	0.8
116.98590	6.8
125.06020	1.0
127.07600	0.6
134.99655	3.6
147.04420	0.9
149.44055	0.6
152.06995	1.2
159.06497	0.9
177.05211	0.9
177.06630	0.9
183.03249	2.1
185.01129	0.7
185.04182	1.5
193.01712	1.6
198.98889	2.2
201.04272	1.5
207.03310	3.9
207.11368	0.6
211.02716	1.4
225.04381	3.1
232.96606	0.9
235.02814	1.6
237.00620	1.1
253.03828	2.6
255.01805	6.9
271.04828	1.0
273.02679	1.5
274.97519	7.4
279.01608	1.1
292.98526	3.7
297.02966	1.9
307.37286	0.8
315.03885	1.2
321.14395	2.0
339.10483	100.0
340.10666	6.2
358.06635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98752	0.9
56.96550	3.5
63.13967	0.8
63.51921	0.9
69.62192	3.2
84.96020	1.8
85.02879	4.1
87.61529	0.9
98.97560	5.1
105.01862	1.0
116.98604	3.1
119.01891	2.0
134.99641	2.5
135.04378	1.2
136.07561	1.1
137.02951	0.9
147.04352	1.6
156.27234	1.0
165.02220	1.1
177.05402	1.5
183.03319	1.0
185.04292	1.7
194.61708	0.9
201.04318	1.1
207.03264	2.3
209.02940	3.5
211.02684	1.4
225.04248	1.9
225.06163	1.7
235.04607	1.8
237.00644	1.2
249.06100	2.2
253.05855	1.7
255.01720	6.0
267.07077	3.6
273.02768	2.3
274.97614	2.1
292.98566	1.8
295.06467	1.3
313.07565	1.5
339.10452	100.0
340.10791	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.01568	0.1
51.02361	0.1
52.50689	0.1
53.03941	0.8
53.27106	0.1
55.01864	0.3
55.05500	0.3
57.03431	0.7
61.02917	0.3
63.02372	0.2
63.67669	0.1
65.03933	3.7
67.05516	0.1
68.99798	0.3
69.03420	3.5
69.35593	0.5
71.04989	1.0
79.05467	0.3
81.03408	6.2
81.07022	0.2
83.04968	0.5
85.02896	3.0
85.37484	0.1
87.00827	1.0
89.03910	0.4
91.05470	100.0
92.05801	2.3
93.07051	0.1
95.04945	0.1
97.02874	0.8
99.04441	1.7
105.01859	0.2
105.07016	0.3
107.04935	0.2
109.02865	4.0
110.03241	0.1
111.04427	0.6
112.52223	0.1
115.03902	0.1
115.05436	0.1
117.03351	1.1
117.07008	0.5
119.08563	0.1
125.02334	0.1
127.03904	6.0
128.04216	0.1
128.06213	0.2
129.01868	0.1
129.05496	0.3
129.06949	0.5
131.08563	0.1
133.06473	0.1
135.04430	0.1
137.05942	0.3
141.06963	0.1
143.03358	0.1
143.08543	0.3
145.02832	2.1
145.06429	0.2
149.05936	0.2
155.04915	0.1
171.08069	0.3
173.06012	0.2
177.05453	3.8
199.07483	0.4
213.04114	0.1
217.08623	0.5
231.04990	0.4
307.09589	0.2
321.09656	0.3
339.12125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
50.86308	0.5
55.01840	1.8
55.90662	0.6
60.10518	0.6
60.85007	0.6
65.03931	2.9
67.05470	0.8
69.03389	0.7
71.43168	0.7
79.05471	1.0
81.07030	1.1
85.02495	0.6
85.02898	6.1
91.05460	1.8
93.03358	1.5
95.04932	0.9
98.23204	0.6
98.97556	1.0
103.05432	1.0
105.03356	1.0
107.04935	7.3
110.03664	2.8
111.04447	2.7
115.05421	3.6
116.06242	1.0
121.02845	1.9
121.06485	0.7
122.03661	0.6
125.05998	3.8
128.06215	2.8
129.06963	2.8
131.04947	3.1
131.08510	0.7
132.05693	0.9
133.02823	0.7
135.04388	0.8
137.05951	3.9
139.52715	0.6
142.04097	1.1
143.04865	1.5
144.05685	1.6
145.06488	4.4
146.07220	1.8
151.03880	0.7
152.06197	1.1
153.05467	6.3
155.04895	0.7
155.06003	0.8
157.06432	1.0
158.07239	1.9
159.08064	10.4
160.08325	0.7
161.05957	1.2
163.05318	0.7
165.05583	0.7
165.06934	7.0
166.07747	1.3
167.06969	1.7
167.08409	0.9
170.03557	0.6
171.04372	3.7
174.06772	1.4
175.07489	2.5
176.06262	1.5
177.05542	0.9
177.07002	2.2
178.07777	5.8
179.08560	3.4
180.09311	1.4
181.06441	2.7
182.07191	1.3
185.05966	9.5
186.06750	9.8
189.06964	7.9
190.07750	11.5
191.08549	16.2
192.05855	1.0
192.09177	1.6
193.06454	5.7
193.10063	0.8
194.07210	2.9
195.07948	2.8
197.09647	1.4
199.03925	3.2
199.07474	1.3
201.06992	2.3
202.07739	6.4
203.08524	5.3
204.05664	1.8
204.09158	0.8
205.06458	7.7
205.10085	0.7
206.07245	7.1
207.06064	0.9
207.08025	14.5
208.08798	12.2
209.06061	0.6
209.09438	2.1
210.06702	1.3
211.07428	1.9
213.05511	1.1
214.06227	18.5
215.06668	0.9
217.06558	2.7
218.07227	19.4
219.08020	37.8
220.08794	21.7
221.05972	16.8
221.09412	6.2
222.06609	2.6
222.10139	0.6
223.07591	2.6
223.11111	2.4
224.08324	1.0
225.09045	2.7
229.08592	38.4
230.07021	0.9
230.08963	1.7
231.07973	1.9
232.05255	1.1
232.08717	0.6
233.06061	4.5
233.09512	3.6
234.06744	8.6
234.10242	0.8
235.07509	32.1
236.08289	33.9
237.05568	1.2
237.08980	6.2
238.06223	2.4
239.06955	2.0
245.05905	1.4
246.06737	7.5
247.07515	21.6
248.08218	7.2
249.05440	7.8
249.09087	9.2
250.06187	5.5
250.09853	3.7
251.06915	2.4
251.10657	52.1
252.08005	1.3
252.11035	4.1
253.08591	6.9
254.09050	0.7
257.05826	0.6
259.07471	0.7
260.04639	0.7
260.08279	0.6
261.05298	0.5
261.06134	0.7
261.09076	9.2
262.06262	3.5
262.09369	1.3
263.07019	21.0
264.07794	58.7
265.08517	20.4
266.05652	2.3
266.08994	1.7
267.06552	1.2
267.10046	1.9
268.10898	1.3
274.06146	1.5
274.97433	1.4
275.07013	7.4
276.07693	1.8
277.05042	1.9
277.08557	9.0
278.05811	1.4
278.09308	13.2
279.10129	38.3
280.10709	6.2
281.08060	17.5
281.11151	0.7
282.08578	1.3
283.13211	2.0
289.08606	1.8
291.06616	3.3
292.07297	10.5
293.08041	11.0
294.08673	1.5
295.09500	3.0
296.10349	3.9
296.60242	0.6
306.08905	3.5
307.09604	92.5
308.10266	22.5
309.07617	2.2
309.10901	2.1
311.12729	67.3
312.13135	5.4
321.11108	1.3
323.09015	1.4
324.09930	10.1
325.10254	1.4
339.12238	100.0
340.12674	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	339.1227
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.97614	0.8
55.01876	2.1
58.70160	0.8
65.03919	1.7
69.54053	1.5
69.54418	3.8
76.86622	0.9
81.07021	0.8
85.02901	5.7
91.05480	2.6
93.03391	1.7
95.04964	1.7
97.31208	0.9
98.22748	1.8
98.23360	1.4
98.97594	1.4
105.07005	1.0
107.04955	6.0
110.03663	2.5
111.04468	1.8
115.05441	2.9
116.98621	1.2
117.06990	1.6
121.02879	1.4
121.18082	0.8
125.05988	3.6
128.06235	1.3
129.07002	3.0
131.04889	1.9
137.05998	4.7
142.38034	0.9
143.04904	1.1
144.05704	2.2
145.06505	4.9
146.07257	2.0
152.06171	1.0
153.05482	6.7
155.04898	0.9
157.06425	1.0
158.07219	2.0
159.08035	11.7
165.06944	5.2
167.07060	1.9
167.08453	1.0
170.03638	1.0
171.04411	5.0
175.07513	1.5
177.05510	1.1
177.06969	1.8
178.07761	4.4
179.08534	3.9
179.10092	1.1
180.09267	1.0
181.06447	2.7
182.07275	1.1
185.05960	10.5
186.06767	10.5
189.07005	7.8
190.07771	10.7
191.08534	15.0
193.06439	4.1
193.10086	1.2
194.07248	1.7
195.08072	3.4
197.09564	1.2
197.97800	0.9
199.03925	3.4
199.07460	1.0
201.06984	2.1
202.07750	4.8
203.08511	4.7
204.05698	1.8
205.06476	7.7
206.07231	5.6
207.08066	12.8
208.08803	11.0
209.09329	1.2
210.06735	2.1
211.07474	1.1
213.05437	1.1
214.06235	18.5
215.06714	1.3
217.06483	2.5
218.07253	16.6
219.08028	35.5
220.08804	19.9
221.05983	14.8
221.09392	5.0
222.06660	2.8
222.10240	1.4
223.07533	2.1
223.11124	2.8
224.08434	1.1
225.09103	2.4
229.06306	2.2
229.08598	37.3
230.08987	1.7
231.08046	2.9
232.08846	1.3
233.05984	3.9
233.09540	5.1
234.06761	5.0
235.07512	30.9
236.08292	32.4
236.10735	1.7
237.09012	7.0
238.06230	2.2
239.07024	1.8
245.05992	1.4
246.06757	8.8
247.07503	22.6
248.08260	6.6
249.05449	8.6
249.09109	7.9
250.06279	6.4
250.09827	6.9
251.06859	2.5
251.10646	57.9
252.10999	2.9
253.08482	5.8
257.05936	1.1
261.09097	9.9
262.06360	4.1
262.09610	2.0
263.07013	19.6
264.07800	64.2
265.08511	19.9
266.05753	2.8
266.09064	2.0
267.10095	1.7
274.97546	3.0
275.06982	7.6
276.07761	1.8
277.05600	1.6
277.08542	8.9
278.09387	15.4
279.10123	40.9
280.10669	5.8
281.08078	19.9
281.11420	1.8
282.08496	2.0
283.13190	1.3
289.08572	2.2
291.06555	3.2
292.07281	12.6
292.98611	1.3
293.08023	11.5
294.08691	1.6
295.09689	1.2
296.10382	3.9
306.08798	4.7
307.09613	100.0
308.10303	24.9
309.07608	2.3
309.10941	1.9
311.12744	72.4
312.13214	4.5
321.10947	1.3
323.09390	1.6
324.09927	9.9
339.12247	95.7
340.12811	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	339.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
57.07051	1.0
59.73877	0.6
60.17134	0.7
60.43166	0.8
67.05493	1.1
69.07041	0.8
69.49972	2.3
70.55591	0.6
74.73109	0.7
81.07029	0.7
81.21471	0.7
93.07037	0.9
95.08626	1.4
98.23554	0.8
98.97578	1.9
116.98678	0.9
119.08674	0.9
193.04955	0.9
217.08012	0.8
274.97479	2.7
292.98575	1.5
339.19031	100.0
339.27789	2.2
340.19397	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	339.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.7
57.03428	0.9
57.07064	1.4
57.27515	0.9
64.95177	0.6
67.05480	2.2
68.05801	0.9
68.61366	0.6
69.07054	2.4
70.06593	1.1
71.43204	1.1
75.29713	0.8
81.07052	1.6
83.08607	1.2
87.04494	0.7
91.05386	0.8
93.07010	0.8
95.08595	0.8
98.97591	1.4
99.80552	0.9
100.26340	0.8
115.14664	0.7
116.98575	1.3
175.10988	1.0
192.71548	0.7
193.05089	1.7
201.74663	0.8
210.15102	0.7
274.97458	1.5
283.16772	0.9
338.34338	1.4
339.19019	100.0
339.27563	5.7
339.34378	1.5
339.77792	1.5
340.19305	5.4
344.42911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.3
55.01868	31.8
55.05510	34.6
55.22029	3.8
57.03431	31.6
57.07072	7.5
57.84328	3.0
65.03949	3.8
67.05502	72.1
69.03424	5.4
69.07056	22.0
71.04987	3.9
79.05483	71.5
81.03393	15.2
81.07052	74.4
83.04977	40.0
83.08621	9.8
85.06546	7.8
91.05470	79.6
93.07038	53.9
95.04962	74.4
95.08604	41.7
96.45563	3.1
97.02885	12.6
97.06534	11.2
97.10175	8.3
98.07312	8.0
98.97592	5.7
105.04547	3.6
105.07019	60.5
107.04948	100.0
107.08584	29.4
108.05720	10.3
109.06518	42.8
109.10165	13.5
110.07388	4.0
111.04453	6.5
111.08099	5.3
112.05228	8.9
113.05991	10.2
115.05440	6.2
116.06264	3.0
117.07008	30.6
119.04949	5.0
119.08574	42.9
120.05706	6.1
121.06512	20.3
121.10162	12.8
122.06547	4.0
122.07275	24.1
123.04440	14.6
123.08105	11.6
123.11677	7.9
125.06030	3.5
125.09597	3.3
128.06223	8.5
129.07011	14.1
131.08556	41.5
133.06474	23.7
133.10138	16.5
135.08054	26.9
135.11679	15.2
137.05991	4.0
137.09607	9.4
141.06985	10.6
143.08536	15.2
145.06465	22.9
145.10100	17.9
147.08002	27.2
147.11708	9.7
148.08820	3.9
149.02303	5.5
149.09636	9.5
151.07558	6.2
154.49434	3.2
155.08662	3.9
159.08066	9.0
159.11717	18.4
161.09570	20.7
161.13257	6.1
162.10492	6.0
163.07582	3.7
163.11189	10.8
165.09132	11.5
169.10127	10.9
171.11678	13.5
173.09564	4.9
173.13295	15.1
175.11174	7.1
177.12840	7.1
185.13251	3.6
187.11176	7.8
187.14836	14.3
189.12799	5.8
193.04973	12.6
197.13271	11.3
203.14301	5.2
205.15857	10.0
215.14307	20.6
224.65668	8.0
233.15347	91.4
265.17957	35.1
273.18527	13.0
274.97458	5.1
278.12744	3.6
289.18008	4.6
290.18820	13.1
304.20358	4.5
305.21152	10.3
339.18057	4.3
339.27777	24.5
339.77936	4.8
358.59787	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	340.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.2
55.05498	0.4
57.03413	0.3
57.07069	2.2
58.99568	0.8
61.02914	0.6
69.03420	1.3
69.34887	0.2
69.50319	0.8
70.06582	0.5
73.04727	0.2
76.02216	0.4
77.00618	3.2
84.08129	10.2
85.02896	1.9
85.08904	0.7
89.04221	0.7
91.05426	0.3
95.04991	0.2
96.08125	0.2
97.02882	0.8
98.09678	2.0
98.23406	0.2
99.02659	0.5
99.04403	0.2
101.04231	1.0
102.09143	0.3
109.02858	0.4
114.09149	1.3
116.10743	0.3
117.03709	0.2
127.03883	0.3
128.10696	8.3
129.06998	0.3
129.11501	1.7
134.06299	1.2
137.05959	2.8
145.04808	0.2
160.07886	1.2
174.06770	0.4
175.07391	0.3
177.05472	0.2
178.08939	100.0
179.09285	2.1
181.14523	0.2
187.07526	0.9
189.09085	0.5
203.08406	0.2
208.02948	0.2
217.08543	0.9
231.07982	0.4
248.08218	0.6
261.09457	0.2
263.10754	0.3
270.08633	0.2
271.09451	0.3
279.10135	0.4
291.10175	1.1
311.12701	0.2
323.12585	0.5
340.14145	4.6
340.18042	0.3
341.13882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01857	6.0
56.53834	1.3
57.03423	6.6
61.02916	7.2
68.99796	2.2
69.03423	34.7
69.12244	10.1
71.04986	4.7
73.02901	5.8
81.03409	21.9
85.02897	100.0
87.00285	2.7
87.00819	50.0
91.03939	2.3
97.02886	33.8
98.22652	2.2
99.04459	13.4
99.22429	1.7
105.01856	86.9
108.04484	3.0
109.02863	27.0
115.03901	1.7
117.01859	2.4
127.03902	79.3
129.01869	3.0
135.78140	1.7
145.04945	39.2
159.02870	13.2
213.03908	3.4
231.04976	23.1
249.06021	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76587	4.7
57.03435	8.0
60.14564	6.6
64.87149	4.3
69.03421	49.8
70.85911	5.9
78.97555	5.7
81.03410	31.7
85.02899	61.8
87.00819	29.9
87.04480	5.6
91.05483	9.2
97.02890	84.4
99.04459	32.5
105.01855	22.9
107.94762	5.5
109.02893	12.0
114.39937	5.3
127.03907	100.0
132.04404	6.3
132.08098	13.2
136.06155	29.2
137.05956	12.8
144.08066	9.8
145.04973	65.7
146.05948	6.8
147.04437	7.6
159.09169	4.9
160.07594	35.6
160.08701	6.9
171.02789	7.3
178.08592	19.3
202.08676	14.4
208.11922	71.4
211.74884	5.5
231.04971	51.7
249.06024	17.1
322.12650	6.7
340.16437	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	340.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01847	4.1
57.03426	6.3
61.02916	6.8
61.04116	1.7
68.99786	2.2
69.03426	39.6
69.70181	5.1
69.70531	3.1
71.04958	2.8
72.09509	1.9
73.02904	5.3
81.03414	21.7
84.23422	2.2
85.02901	100.0
86.84444	2.1
87.00829	51.7
91.03838	2.2
97.02883	28.9
99.04452	10.8
105.01859	77.9
108.04449	2.2
109.02869	23.9
117.01901	2.6
124.53407	2.0
127.03907	66.2
145.04936	27.9
147.02927	3.1
159.02876	5.0
175.85686	1.9
187.25064	2.1
189.03975	3.2
213.03954	3.2
231.04962	22.7
249.06010	5.3
249.69710	2.2
324.11664	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	340.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79417	1.2
52.42944	1.1
55.01869	2.7
55.05502	2.9
60.12454	1.5
67.05494	6.0
69.07057	11.5
70.55632	2.1
71.04984	13.5
79.05474	12.9
81.07063	4.1
83.04971	3.6
85.06535	9.4
86.09696	100.0
87.10038	1.2
91.05447	10.6
93.07047	11.9
95.04947	4.5
95.08623	2.3
97.06514	1.8
100.11258	2.3
105.07009	15.9
106.07370	1.5
107.04964	7.9
107.08582	19.5
109.06528	3.3
111.04421	6.8
115.05406	1.5
116.06256	1.4
117.07003	5.7
119.08588	11.5
121.06494	5.9
121.10130	11.4
123.04433	1.6
123.08015	1.9
125.05982	1.5
128.06198	1.9
128.10719	4.9
129.06984	9.9
130.07738	1.4
131.04945	1.5
131.08553	22.4
132.10194	27.2
133.02878	1.5
133.06418	1.8
133.10187	1.7
135.04424	4.0
135.11665	2.2
137.05974	5.7
137.09616	4.4
143.08490	1.4
144.05646	1.8
145.06502	3.6
145.10117	12.7
147.08046	4.6
149.05960	4.1
149.09599	37.5
155.08603	1.5
159.08003	4.2
161.05956	3.5
163.07619	2.7
163.11179	15.3
163.95573	1.2
165.09132	5.9
167.07007	9.0
167.10655	49.6
173.09598	4.4
185.13364	1.2
187.07559	12.8
189.07045	2.2
191.10646	28.9
192.13820	1.7
202.07791	1.5
203.08565	1.9
206.07254	2.6
206.15384	1.4
207.07916	1.6
209.11699	39.9
210.11983	2.0
210.14886	6.1
218.07381	1.8
219.08028	3.2
221.09549	2.3
231.08063	1.4
234.06700	3.0
238.14334	1.6
247.07391	2.4
248.08203	1.9
249.09137	5.4
251.06984	2.7
256.15424	2.9
258.18478	3.5
265.08701	2.6
266.09427	1.4
271.09451	1.5
276.19543	21.5
277.08560	4.0
279.06644	1.5
281.11584	8.7
291.10120	2.1
294.20477	9.6
304.19080	4.7
308.09900	2.5
309.11191	12.3
310.12091	1.9
322.11981	2.0
322.20084	13.9
323.12659	1.4
325.10617	1.9
340.12936	6.9
340.20999	12.7
341.13907	11.5
341.20819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	56.7
58.06597	42.8
62.06077	51.5
62.16486	26.5
70.92402	45.9
75.13056	29.4
81.07054	43.8
87.93974	28.8
105.07063	31.7
109.10139	29.0
133.57140	35.5
149.02316	60.0
184.27602	30.6
190.95453	27.3
193.04964	75.7
194.05302	36.6
230.24670	31.3
339.77863	100.0
340.27884	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	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.6
55.05511	11.9
56.66873	4.7
57.07062	8.6
58.06599	7.7
60.08140	6.2
62.21099	5.0
65.95354	5.2
67.05497	71.3
69.07065	18.5
70.11838	5.2
71.17999	6.1
79.05491	32.4
81.07047	61.0
83.04975	14.2
83.08601	10.4
83.82738	5.3
85.06538	5.5
88.07652	5.8
91.05486	39.3
91.37393	4.5
93.07056	27.8
95.04989	7.5
95.08607	17.2
97.06528	7.1
105.07038	43.6
107.08584	51.4
109.06540	11.1
109.10149	74.7
119.08553	8.1
121.06493	5.6
121.10143	8.0
123.11693	24.4
133.10114	100.0
134.10426	6.2
134.67375	4.6
149.09651	10.7
151.11162	97.9
153.80963	5.6
177.09081	12.4
179.10677	16.0
183.13814	19.9
273.18427	8.4
307.66998	5.5
340.30374	15.0
340.35745	24.3
340.39432	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	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27642	1.7
55.05503	3.0
57.07076	3.0
58.06597	2.3
62.06083	100.0
64.13278	1.7
67.05495	10.3
69.07056	3.9
69.08498	12.4
71.08624	18.7
79.05489	5.4
81.07043	14.3
83.08603	2.8
83.61940	1.6
88.07608	1.9
91.05459	3.7
93.07032	6.2
95.08588	8.8
97.10126	2.2
98.06064	2.1
98.23090	10.6
99.08076	11.5
105.07040	4.6
107.08583	4.0
109.10143	3.2
113.52351	2.0
119.08568	3.5
120.97974	1.9
121.10136	2.9
141.12723	2.7
147.11687	7.8
149.02345	2.6
150.50844	1.8
163.14902	2.4
173.13226	2.4
193.04950	4.1
224.20143	4.3
225.15825	2.6
242.21193	8.2
248.83127	2.3
279.23209	3.5
317.19528	4.6
322.27332	65.7
323.25748	4.0
339.77838	10.2
340.19336	7.0
340.28342	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	340.9878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88050	0.5
56.96558	9.6
59.47552	0.4
73.04703	0.5
83.31415	0.4
91.05766	0.7
98.97569	67.7
114.95579	0.9
116.98610	32.8
132.96577	1.3
134.13802	0.5
134.99638	8.3
135.00595	0.8
153.00755	0.6
156.96568	2.7
168.87764	0.4
170.84435	0.4
173.45885	0.5
174.97627	15.8
190.95686	2.1
192.98688	11.9
198.97565	3.8
208.96732	1.2
210.99838	0.6
214.95599	8.1
216.98671	45.3
217.98898	1.6
232.96654	16.9
233.96819	1.5
234.99728	60.8
235.99925	3.2
238.95728	1.7
240.98634	0.7
250.97734	9.3
251.97833	0.6
253.00815	1.7
256.96667	18.7
257.96820	2.3
258.01413	0.9
258.97174	0.9
258.99741	10.9
259.99957	0.7
263.02798	0.8
274.97699	40.1
275.97839	3.9
276.97937	0.4
277.00772	12.2
278.00992	0.9
280.96445	2.6
292.98740	5.9
298.97708	70.8
299.97836	7.1
316.98767	100.0
317.98895	11.1
318.99078	0.5
334.99860	3.3
340.00464	1.3
340.98761	18.8
341.99048	1.5
358.99796	42.9
359.99930	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	341.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71483	5.5
56.81432	4.5
56.96566	16.5
57.03407	5.2
69.03419	12.9
69.96249	6.4
69.96572	10.5
81.03419	5.4
85.02915	12.9
91.05808	15.2
97.02873	9.1
98.97583	37.1
103.05450	8.3
104.11191	4.7
110.97571	16.4
116.98613	13.0
119.04918	8.7
127.03880	9.0
128.98604	13.4
133.02849	6.9
137.05980	48.1
140.07066	11.4
140.90150	5.2
147.04381	13.4
151.07526	17.6
163.07552	7.6
172.94276	6.0
179.03358	14.2
179.07059	8.7
180.06296	10.5
185.04205	6.7
190.95306	6.5
202.05238	7.2
203.05269	16.9
211.02618	6.7
232.96500	7.6
237.02829	22.0
341.08395	24.2
341.12094	19.4
342.11584	100.0
359.03021	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	341.0866
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.12560	0.2
53.03935	0.2
61.02906	0.5
68.99819	0.2
69.03416	1.0
69.04350	0.2
69.42973	0.4
69.43364	0.7
73.04730	0.3
79.05480	0.2
81.03390	0.5
82.15865	0.2
82.50251	0.2
84.04491	0.4
85.02898	2.2
87.73170	0.2
89.03905	0.6
91.05815	0.4
92.62465	0.2
95.04936	0.2
97.02864	0.9
97.06538	0.3
99.04446	0.2
105.03360	0.7
107.04961	0.3
109.02882	0.5
117.03350	0.5
123.04414	10.5
124.04731	0.2
125.00157	0.2
127.03882	0.3
130.04965	0.6
133.02834	9.2
135.04405	2.0
137.05936	0.2
145.04933	0.3
147.07663	0.3
150.22995	0.2
150.48775	0.2
151.03877	3.9
161.02388	0.2
179.03363	100.0
180.03705	3.2
222.18097	0.2
341.08575	0.8
341.12280	1.3
359.02740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1016
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01863	61.3
55.05502	0.8
56.08904	0.7
58.01517	0.7
59.64280	0.6
60.20023	0.6
65.03934	5.1
68.02637	1.4
69.66106	2.6
79.05474	1.3
81.03423	0.7
83.04966	1.5
83.46793	0.6
85.02875	1.6
86.14470	0.6
89.07607	0.8
91.05451	2.8
93.03383	2.8
93.07022	0.8
95.04959	1.7
95.08602	0.9
96.02098	4.6
103.05426	2.0
105.07017	8.9
107.01266	2.0
107.04948	1.2
111.04414	14.5
115.05424	9.4
116.06248	0.8
117.06996	1.4
118.04114	0.9
119.04927	0.9
121.06465	1.3
123.04430	2.7
128.06183	1.0
129.06985	1.6
130.04112	1.7
131.04904	7.8
132.05675	1.3
133.06465	20.2
137.02376	1.0
137.05954	1.7
139.03867	8.0
141.06993	0.8
142.04103	1.3
143.04932	1.5
143.08487	0.7
144.05684	1.4
145.06450	8.5
146.03601	2.3
146.07240	2.4
147.04434	1.0
147.07982	1.4
152.06201	2.5
153.05449	2.7
153.06964	7.2
154.07709	1.9
155.04910	1.1
155.08594	1.1
156.05673	1.3
157.04939	0.9
159.04393	3.2
159.08044	1.0
159.11884	0.8
160.05118	1.5
161.05954	25.2
162.06422	1.2
164.06201	1.7
165.06984	13.8
166.07753	2.3
167.03450	4.3
167.04720	1.3
167.07095	1.0
167.08514	1.8
168.05701	1.9
169.06461	2.2
170.03580	4.6
171.04327	1.8
171.05544	3.0
171.08012	2.7
172.05110	1.0
173.05969	10.3
174.06737	13.6
175.07507	4.8
176.06139	1.7
177.06961	2.4
178.07719	4.2
179.08542	3.3
180.05658	1.2
181.06435	17.1
182.07249	7.8
183.04478	1.2
183.08049	3.4
184.05173	3.2
185.05896	3.8
186.03099	2.4
187.03835	3.7
187.07495	2.7
189.05428	45.6
190.05843	1.4
190.07701	0.9
191.08563	1.4
192.05658	5.9
193.06468	7.1
194.07265	4.6
195.07983	4.1
196.05157	2.6
196.08766	2.1
197.06015	3.4
197.09579	2.7
198.06793	3.3
199.07495	6.6
201.05417	22.7
202.06190	15.5
203.06921	5.4
205.06427	5.8
206.07137	2.5
207.07942	5.2
208.08745	1.1
209.05943	15.6
209.09607	0.9
210.06703	19.4
211.07492	8.5
212.04637	2.1
212.08253	1.2
213.05466	2.0
213.09119	2.9
214.09808	0.8
215.07011	0.9
216.07715	0.8
217.06549	1.0
217.08542	1.3
218.07285	1.3
219.08109	1.3
220.05141	9.7
221.05930	18.7
222.06673	6.1
223.07448	4.3
224.08281	7.1
225.05363	2.2
225.09045	8.5
226.06212	5.3
227.06966	17.9
228.07404	1.9
229.04947	1.5
232.05157	1.2
233.05867	2.2
234.06732	4.6
235.07492	13.0
236.08118	2.2
237.05426	16.4
237.09146	1.9
238.06189	15.1
239.06956	10.0
239.10599	1.6
240.07652	0.9
241.04895	1.4
241.08501	5.6
242.09303	2.7
243.06479	8.2
248.04572	5.7
249.05412	14.3
249.09033	3.0
250.06180	9.0
251.06956	8.7
252.07733	14.3
253.08527	42.2
254.05688	2.0
254.09142	2.9
255.06471	22.6
256.07129	5.7
257.07846	1.2
258.08939	1.0
259.09769	1.7
262.05905	1.3
263.07001	30.8
264.07526	4.6
265.04941	19.7
265.08438	3.2
266.05667	10.0
267.06467	19.1
267.10077	7.6
268.06903	1.4
269.07965	4.4
270.08768	6.1
271.06149	0.8
271.09360	1.0
277.04907	4.8
277.08151	1.0
278.05682	2.5
279.06482	5.9
280.07245	18.7
281.08029	34.9
282.05511	1.2
282.08716	6.9
283.05972	13.6
283.09109	1.4
284.06256	0.9
285.11148	8.4
285.68933	0.7
286.08282	1.9
287.09076	7.3
291.06485	5.9
292.07141	5.9
293.04465	1.5
293.07587	1.3
294.05112	1.9
295.06006	3.2
295.09613	17.3
296.10086	1.4
297.07391	2.1
297.10760	1.0
298.08276	8.3
299.08856	1.3
308.06863	3.9
309.07526	47.6
309.10944	3.9
310.08209	16.5
310.11197	0.7
311.08798	2.2
313.07010	1.3
313.10626	22.1
314.10947	1.3
323.09082	34.5
324.09445	2.1
326.07764	3.0
326.11172	0.9
341.10132	100.0
341.13632	6.4
341.18948	2.1
342.10431	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	341.1019
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01870	60.2
63.23624	1.3
65.03926	5.4
68.09291	1.3
69.59697	3.4
72.97143	1.4
79.05498	1.2
91.05466	2.9
91.19518	1.2
93.03389	1.5
95.04955	1.7
96.02111	3.8
98.23069	4.5
105.07037	9.6
107.04904	2.1
111.04436	12.2
115.05453	11.9
123.04442	2.2
128.06209	2.6
129.07083	1.4
130.04114	1.8
131.04948	7.6
133.06490	23.0
137.05972	2.5
138.03102	1.5
139.03915	5.5
141.06990	2.3
143.04897	2.0
145.06503	8.3
146.03636	2.9
147.04430	1.5
147.08051	1.5
151.03764	1.9
152.06239	4.7
153.05528	3.7
153.07001	7.3
154.07788	2.5
159.04404	3.3
161.05980	28.8
163.03899	1.7
164.06142	1.3
165.06992	14.6
166.07774	1.6
167.03409	6.1
167.08521	2.0
168.05684	2.0
169.06531	2.1
170.03662	3.5
171.04327	2.4
171.05556	3.5
171.08043	3.2
172.05127	1.9
172.96445	1.2
173.06004	8.8
174.06757	12.1
175.07434	3.2
177.07018	2.6
178.07741	4.7
179.08522	1.9
181.06436	16.9
182.07236	7.4
183.04399	1.9
183.08092	2.2
184.05222	2.9
185.05965	4.0
186.03154	2.0
187.03883	2.5
187.07503	3.0
189.05457	53.4
189.06889	2.4
192.05698	5.8
193.06413	7.6
194.07239	2.8
195.08038	5.4
196.08812	1.9
197.05956	3.4
197.09578	2.1
198.06750	2.0
199.07568	6.0
201.05463	21.0
202.06267	14.6
202.08040	2.3
203.07053	6.6
205.06551	4.0
206.07257	3.1
207.08054	4.9
209.05963	12.8
210.06754	19.1
211.07555	8.1
212.04791	1.8
213.05467	2.0
213.09132	3.0
219.04498	1.5
220.05266	9.2
221.05972	14.6
222.06726	4.9
223.03970	2.2
223.07593	4.8
224.08324	7.0
225.05576	1.3
225.09224	7.3
226.06297	6.4
227.07036	22.0
228.07654	2.7
233.05992	3.1
234.06728	4.3
235.07550	11.2
236.08345	2.7
237.05446	14.6
238.06216	11.7
239.07034	9.5
239.10732	1.9
241.08624	4.4
243.06519	9.3
248.04663	4.4
249.05437	12.2
249.09053	3.3
250.06230	6.7
251.07089	8.3
252.07813	14.0
253.04727	2.7
253.08568	38.0
254.09106	3.9
255.06464	22.9
256.07285	3.7
257.08145	1.6
258.08804	1.7
259.09512	1.9
263.07025	30.6
264.07657	4.2
265.04965	19.1
266.05682	9.5
267.06516	18.5
267.10168	5.5
269.08093	4.0
270.08878	7.3
277.04904	7.3
278.05746	3.9
279.06430	7.5
280.07233	20.5
281.08026	33.6
281.11139	1.4
282.05573	1.7
282.08817	6.5
283.05963	12.2
285.11243	6.8
286.08200	2.1
287.09122	8.5
291.06543	4.2
292.07248	6.2
293.07983	2.1
295.06012	4.4
295.09668	16.4
297.07581	3.0
298.08307	8.6
308.06750	3.6
308.10110	1.9
309.07587	44.8
309.11115	4.4
310.08313	17.5
311.08875	2.8
313.10684	24.4
323.09122	36.2
323.12500	1.5
324.09326	2.0
326.07770	3.1
341.10187	100.0
341.13678	5.7
341.18796	7.1
342.10568	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	341.1229
Annotation	Kalopanaxin A
Peak:m/z	Relative Intensity
52.14735	1.6
53.03953	2.0
55.01868	2.5
55.05495	2.0
56.96569	2.1
57.03431	8.3
62.22352	1.5
69.03425	34.9
69.32129	2.6
69.32526	7.1
71.01360	1.9
71.05002	2.0
73.02899	3.6
73.04760	4.7
77.03851	1.6
79.05492	6.2
81.03419	10.1
83.04984	2.9
84.04519	3.2
85.02901	18.9
86.27840	1.5
91.05437	5.9
91.05842	6.1
93.07040	3.3
94.04141	1.7
95.04966	2.0
97.02893	12.2
98.23376	2.9
98.97542	3.7
99.04459	3.7
103.05443	13.6
107.04963	9.3
109.02904	4.5
111.04454	2.5
115.05447	3.0
116.98632	2.4
117.16113	1.6
119.04952	14.9
121.06518	5.1
122.03642	7.0
127.03902	20.1
129.05502	5.2
130.05023	3.3
131.04926	17.6
135.04439	5.3
137.05966	100.0
138.06343	3.6
141.06889	1.9
143.04921	2.5
145.04919	4.6
145.06506	2.7
146.07402	1.7
147.04399	25.3
147.07655	2.5
149.05946	10.9
151.07535	30.4
159.04391	2.1
161.06039	3.4
163.07549	16.5
164.04643	2.1
165.05421	2.1
167.07033	13.4
175.07515	8.3
177.05457	8.4
179.07018	29.8
180.06412	1.8
185.02658	1.6
185.06021	2.0
187.07501	3.4
191.07011	13.8
193.08467	2.6
201.09068	1.8
203.07034	3.1
205.04767	3.6
209.08133	6.6
215.07045	5.4
221.08032	4.1
229.08542	3.4
233.08147	1.8
309.09470	2.8
316.99069	1.8
323.11121	4.5
341.08344	12.3
341.12109	21.9
342.11725	18.1
359.02768	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.15483	0.9
55.05512	7.2
57.02516	1.0
61.04627	0.9
65.03926	1.0
67.05494	1.0
69.88526	2.3
71.04990	4.0
73.22859	0.9
79.05476	1.7
81.07066	2.4
82.06580	1.7
83.08610	5.1
91.05477	3.8
91.28542	0.9
94.04192	4.2
95.04980	1.7
100.07603	1.4
100.11252	29.3
101.11574	3.4
103.05463	2.8
105.07069	1.0
105.97150	1.0
107.04963	1.4
109.06512	3.4
110.06014	2.1
111.04459	2.8
115.05457	2.4
117.07046	1.7
117.13892	1.4
119.04929	2.3
121.06633	1.0
122.03638	10.7
128.06216	1.8
128.07086	2.1
129.06950	7.4
131.04965	3.3
132.74289	0.9
133.02815	5.8
133.06512	1.0
134.03526	0.9
134.10753	1.0
135.04378	1.3
136.05214	1.0
137.05969	100.0
138.06306	2.1
141.11493	3.3
143.04903	1.7
144.05704	3.4
145.06506	1.7
147.04417	2.1
147.08063	1.5
149.05977	4.2
151.03937	3.6
151.07539	5.6
153.05472	1.2
157.06493	6.8
158.07210	1.2
160.05151	4.6
161.05965	2.3
163.07539	4.3
164.04796	1.0
165.05479	5.0
167.67480	1.0
168.05699	2.3
171.08154	1.0
172.05190	4.2
173.05991	1.4
174.06801	6.0
175.07538	22.4
176.08247	1.4
177.05490	5.6
177.09134	2.2
179.07124	4.6
182.15405	8.0
183.15756	2.3
184.11122	1.0
185.05951	1.8
187.07536	31.0
188.08138	1.4
189.09137	13.6
190.07820	1.3
191.06992	1.7
191.08533	2.9
194.07135	1.2
196.05203	6.7
197.05952	2.8
199.07578	4.1
199.18034	1.9
202.07912	4.7
203.06787	2.1
203.08563	15.5
204.08789	1.2
204.49098	1.0
205.06479	2.9
205.08409	2.1
205.12468	1.0
206.07230	1.0
208.08794	1.3
209.16420	2.7
210.14915	6.5
210.16847	2.2
211.07521	23.0
211.15228	1.7
212.07979	1.5
213.05426	2.8
213.68025	1.4
217.08609	11.4
218.07268	1.4
219.08020	9.8
220.08868	6.9
221.05914	1.0
221.09496	3.0
223.07591	1.3
225.05447	1.4
227.06998	6.4
227.17526	4.1
227.67686	1.5
228.07755	2.6
228.17960	1.3
229.49379	1.0
231.07990	17.3
232.08795	3.6
233.05936	3.0
233.09502	1.1
234.06621	2.1
235.07539	2.2
236.03317	1.0
236.08199	1.9
237.09134	2.9
239.07025	15.3
240.07751	12.0
241.04936	2.1
241.08350	1.0
247.07555	6.8
248.08298	24.2
249.08994	4.0
250.06194	1.8
251.07147	1.1
251.10559	4.6
253.08601	2.8
253.12202	2.8
254.09201	1.5
255.06573	5.3
256.07352	9.0
257.07666	1.0
259.07422	6.2
260.08224	2.0
261.05368	1.3
261.09045	1.8
262.09579	1.4
263.10635	20.9
264.07904	3.4
265.08609	7.5
268.07309	3.7
270.08914	8.4
271.09631	39.6
272.09964	1.9
276.07813	12.1
276.72842	1.6
277.08463	4.9
277.22940	1.5
279.10059	9.5
281.08344	1.4
281.11737	2.0
283.09610	7.5
285.11414	1.1
291.10132	57.9
292.10745	6.0
293.08072	6.5
296.10403	6.1
297.11191	4.0
305.11829	1.3
308.10406	6.5
309.11136	5.5
311.12650	8.1
313.14352	2.7
323.12744	29.6
323.16443	2.1
324.13040	1.8
333.01538	1.1
341.13812	26.4
342.14343	2.0
343.30630	4.1
344.30829	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
59.60488	1.1
65.03944	1.7
69.07068	1.2
69.76630	3.6
70.06593	1.5
71.05006	1.2
79.05484	1.1
81.07030	1.5
83.81772	1.0
84.08155	2.4
86.06040	5.0
86.09696	10.4
86.21285	1.1
91.05420	2.5
93.07009	1.0
94.04183	1.9
95.04968	1.5
98.23194	3.1
103.05484	2.9
106.53053	1.0
107.04958	1.8
109.06516	3.9
110.07137	9.4
114.05505	3.2
115.05385	1.4
116.07125	1.4
119.04919	2.1
122.03632	9.9
128.06223	2.8
129.06979	10.2
129.07837	1.0
129.10153	1.1
131.04916	3.1
133.02835	2.4
137.05963	100.0
138.06325	3.0
143.08591	1.2
143.11868	1.1
144.05702	3.0
145.06451	1.8
146.07256	1.0
147.04425	2.0
149.06013	3.1
151.03903	3.5
151.07545	3.6
153.05502	1.6
157.06506	7.4
160.05194	2.5
161.05968	3.2
163.07552	3.3
165.05493	3.6
165.06940	1.8
168.05717	1.3
171.08020	2.2
172.05228	5.5
174.06764	7.8
175.07510	11.8
177.05519	2.2
178.08955	1.5
179.06960	1.7
179.09328	1.0
185.05968	2.3
187.07523	29.3
188.08073	1.7
189.09077	12.9
190.07729	1.8
191.08557	3.8
196.05193	2.1
199.07542	3.4
202.07813	3.7
203.08527	13.1
205.06537	2.7
208.08842	2.2
211.07475	5.6
217.08566	18.9
218.07240	2.9
219.08022	10.8
220.08835	4.3
221.05931	1.5
222.06744	1.1
225.09200	1.2
227.07002	3.3
231.08034	15.8
232.08847	4.7
233.06030	2.5
233.09573	1.9
235.07582	1.2
236.08194	2.2
237.08977	1.9
239.07028	4.4
240.07677	2.0
247.07497	7.0
248.08301	17.0
249.05461	1.2
249.08958	1.5
251.10654	4.3
251.14990	1.7
253.08517	2.7
255.06482	3.3
256.07288	1.7
259.07550	6.8
260.08243	2.0
261.09039	2.6
263.07269	1.7
263.10641	14.8
264.07822	3.2
264.10840	1.2
265.08517	4.0
270.08737	6.2
271.09634	10.4
276.07809	6.2
277.08585	4.3
278.09195	1.3
279.10110	13.0
280.10895	1.3
281.08035	1.2
283.09665	3.0
291.06854	2.0
291.10123	39.3
292.10690	4.8
293.07983	5.3
295.09866	1.2
296.10403	7.4
297.11142	3.0
305.11932	1.2
308.10477	3.3
309.11218	3.5
311.12686	11.0
316.23236	1.1
323.12747	28.9
324.13052	2.2
341.13828	18.4
342.13995	1.6
354.80862	1.0
358.76099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25826	2.7
69.26219	7.4
71.04981	3.1
79.05492	3.3
81.07045	2.6
91.05465	3.7
94.04166	2.1
95.04962	2.8
98.22682	2.7
98.23352	4.3
103.05441	3.0
109.06509	4.3
115.05411	2.3
117.06993	1.5
119.04917	2.2
121.64259	1.0
122.03689	8.1
125.25401	1.2
128.06201	1.9
129.06985	7.3
131.04871	3.0
132.40067	1.3
133.02808	4.6
137.05959	100.0
138.06308	2.9
144.05702	1.6
145.06409	2.7
149.06026	3.3
151.03888	5.1
151.07506	6.1
157.06409	6.1
160.05180	5.2
161.05936	3.2
163.07495	4.7
165.05449	4.7
168.05676	1.6
172.05173	3.9
174.06721	4.8
175.07533	18.2
177.05457	4.2
177.09029	2.7
179.06999	4.8
184.05095	1.9
186.97617	1.4
187.07512	25.4
189.09106	13.6
191.07033	2.0
191.08511	3.5
196.05159	7.6
199.07481	2.1
202.07771	5.0
203.08537	17.0
205.06491	2.7
207.08003	1.2
211.07509	21.8
212.04568	1.4
213.05473	1.6
217.08598	8.6
218.07060	1.6
219.08044	7.2
220.08839	7.3
221.09537	2.6
225.05513	1.5
227.06941	5.7
228.07742	1.9
231.08046	16.4
232.08821	4.5
233.05936	3.1
234.06654	1.5
235.07434	2.7
235.11171	1.6
236.08456	1.3
237.09114	1.7
239.06984	14.2
240.07806	7.7
241.05066	1.6
241.08296	3.1
243.03389	1.3
247.07564	6.2
248.08295	17.7
249.08937	3.1
251.10583	4.4
255.06454	7.8
256.07248	6.5
259.07501	9.6
260.08063	2.1
263.06595	1.3
263.10623	23.9
264.07791	3.0
264.10690	2.0
265.08566	5.9
268.07248	3.4
270.08850	9.2
271.09634	31.9
276.07840	11.9
277.08447	5.2
279.10101	8.2
281.08273	1.6
281.11578	2.7
283.09601	5.1
285.07797	1.4
285.10886	1.9
291.10095	48.7
292.10605	4.8
293.08157	7.3
296.10455	3.2
297.11218	2.8
308.10327	5.7
309.11160	2.4
311.12677	8.3
313.14200	2.2
323.12732	29.1
341.13800	33.9
342.14026	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	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01852	3.2
58.05775	1.1
60.26271	0.9
65.03915	1.5
67.05503	1.6
71.42603	1.0
77.03921	1.1
79.05478	7.0
81.07053	3.2
83.26334	1.3
86.69182	0.9
91.05468	20.1
93.07042	2.9
94.04181	2.7
95.04967	2.1
95.08601	1.1
97.29918	0.9
98.23180	1.2
102.04681	2.2
103.05454	7.9
105.03387	3.8
105.07023	18.3
107.04949	2.5
109.06512	4.2
115.05428	8.7
117.06998	3.4
118.04153	2.2
119.04937	13.2
119.08551	7.5
121.06471	5.9
122.03621	7.4
123.04347	1.3
128.06219	4.0
129.06993	11.0
130.04099	1.9
131.04898	6.8
131.08568	1.8
132.05678	5.5
133.02881	1.1
133.06479	12.7
133.10106	1.7
135.04367	1.1
135.08081	2.2
136.08868	1.7
137.05963	100.0
138.06285	2.6
143.04973	1.2
143.08543	3.5
144.99176	1.0
145.06436	5.1
145.10117	3.0
146.03638	2.9
146.07228	1.4
147.04395	11.6
147.08044	7.7
149.05968	3.3
151.03946	1.8
151.07550	8.1
157.06494	4.5
157.10075	2.9
159.08049	3.3
160.05183	4.4
161.05963	40.0
162.06781	9.0
163.07570	1.9
165.06979	1.8
169.10127	1.1
171.07993	1.2
171.11800	1.3
172.05208	2.9
174.06779	1.3
175.07533	61.1
176.07948	1.1
177.05472	1.3
177.09103	4.2
178.07782	2.0
179.07004	4.1
179.08562	3.0
181.06537	1.4
183.11655	2.7
185.05977	1.7
185.13251	5.0
187.07533	14.6
189.09035	5.2
190.07698	2.3
191.08488	6.4
194.07324	2.4
195.08087	1.1
195.11652	1.5
199.07518	3.7
202.07735	4.4
202.21051	1.1
203.08575	9.8
205.06500	1.8
207.08057	2.4
208.08755	1.3
209.09636	1.6
211.07504	1.7
211.11003	1.1
213.12756	2.1
215.08772	1.2
217.08577	4.9
218.07213	2.5
219.08063	11.1
220.08719	3.9
221.09610	3.1
222.06764	2.1
231.08011	11.2
232.08743	1.7
233.05865	2.1
234.06824	1.4
235.07524	3.0
236.08257	2.3
237.09125	3.4
238.09618	1.1
246.06856	1.1
247.07541	6.6
248.08264	7.1
249.09097	3.4
249.16483	1.5
250.06361	1.3
251.10695	7.0
253.08621	1.0
259.07565	5.3
260.08267	1.8
261.09164	1.7
263.07047	1.8
263.10663	6.2
264.07855	1.5
265.08551	4.4
276.07782	2.2
276.13702	1.1
277.08429	2.9
278.09320	2.0
279.10074	7.9
280.10822	1.1
281.11707	1.7
287.18008	1.4
291.10123	13.0
292.10629	1.3
293.08115	1.6
296.10480	2.1
305.18991	1.7
308.10239	1.3
309.11166	44.3
310.11642	3.5
311.12665	6.7
313.14471	1.4
323.12656	7.7
323.20035	3.3
340.01205	1.2
341.13861	24.3
341.21030	31.4
342.14200	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01859	2.7
55.05524	1.2
67.05512	1.2
74.06937	1.0
77.03908	1.1
79.05486	6.0
81.07051	3.1
91.05468	17.0
91.27889	1.0
93.07025	3.1
94.04165	2.8
94.31190	0.9
95.04957	3.3
95.08603	3.7
100.11258	1.3
102.04686	1.9
103.05471	8.0
104.06163	1.2
105.03389	3.4
105.04507	2.1
105.07023	20.0
106.04263	1.2
107.04965	3.8
107.08571	2.2
109.06507	3.7
109.10160	2.8
115.05441	8.5
117.07005	4.1
118.04152	1.8
119.04942	12.9
119.08571	8.1
121.06488	4.3
122.03629	7.9
128.06224	3.4
129.06961	5.8
130.04126	3.6
131.04941	7.6
131.08554	2.0
132.05719	5.9
133.06485	13.1
135.08022	1.8
136.08885	1.2
137.05962	100.0
138.06316	2.1
143.04970	2.1
143.06079	1.2
143.08501	1.2
144.05679	1.1
145.06483	4.5
145.10161	2.3
146.03612	1.9
147.04399	11.0
147.08017	8.9
149.05981	1.9
151.07550	7.7
157.06520	1.7
159.08058	4.0
159.11687	1.3
160.05209	4.4
161.05959	43.8
161.09584	2.7
162.06783	9.7
163.07483	1.7
165.07001	1.9
172.05176	5.6
172.86351	1.0
175.07527	64.1
176.07863	2.9
177.05496	1.5
177.09102	5.2
178.07785	1.5
179.07021	4.4
185.05960	2.1
185.13280	1.4
187.07510	15.9
189.09132	3.2
190.07774	2.2
191.08498	7.1
193.10129	1.1
194.07265	1.5
199.07600	2.0
199.14699	1.2
201.16245	1.6
202.07777	5.4
203.08556	6.8
205.06433	2.0
207.08063	2.1
208.08946	2.0
209.09573	1.1
211.07698	2.0
215.14377	2.4
217.06738	1.5
217.08528	6.5
218.07224	1.6
219.08009	9.0
220.08817	3.9
221.09561	2.5
222.06734	1.7
225.08952	1.8
231.08035	9.5
232.08803	2.0
233.05959	1.7
233.15410	3.2
234.06512	1.4
235.07422	3.1
235.11392	1.2
236.08316	2.0
237.09099	3.3
247.07521	6.4
248.08229	5.7
249.09052	2.6
250.06107	1.5
251.10687	6.9
253.70715	1.0
259.07581	5.9
260.08301	2.4
261.09039	1.6
263.07089	1.9
263.10699	7.7
264.07877	1.9
265.08469	5.2
276.07788	2.7
277.08575	2.3
278.09225	1.9
279.10092	8.5
281.08163	1.7
281.11691	3.3
291.10062	11.2
295.09637	1.5
296.10330	1.8
297.11209	1.9
308.10382	2.3
309.11160	38.8
310.11664	4.0
311.12689	7.7
313.10858	1.1
313.14294	1.7
323.12598	8.9
323.23657	2.7
341.10153	1.8
341.13776	28.1
341.20883	1.7
341.24753	7.5
342.14056	1.8
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	Letestuianin A
Peak:m/z	Relative Intensity
55.01852	1.6
55.05540	0.7
57.29110	0.7
58.54284	0.6
63.53933	0.6
65.03941	0.7
65.23230	0.7
66.25936	0.7
67.05499	0.8
69.03422	0.7
79.05492	5.0
81.07021	1.6
91.05460	15.5
93.07041	0.8
94.04164	3.3
95.04933	3.5
100.32601	0.7
102.04661	2.3
103.05468	6.7
105.03361	3.1
105.04471	0.9
105.07012	14.8
107.04944	5.4
109.06510	3.2
115.05440	7.9
117.06978	3.2
118.04105	1.1
119.04923	11.3
119.08566	6.6
121.06491	4.9
122.03647	8.3
123.08079	0.9
128.06210	2.6
129.06985	4.5
130.04120	3.0
131.04906	7.1
132.05696	5.0
133.06470	12.4
135.04391	0.9
135.07990	0.9
136.08809	1.5
137.05954	100.0
138.06274	1.9
141.07132	0.9
143.04904	0.9
145.06497	3.7
146.03603	2.9
146.07288	1.1
147.04395	10.7
147.08020	7.6
149.05968	3.3
149.09592	0.9
151.07516	5.9
156.05650	1.4
157.06465	3.3
159.08037	4.1
160.05202	4.3
161.05962	38.6
161.09581	1.0
162.06757	7.3
163.07497	3.8
165.07002	0.9
171.07947	1.0
172.05154	4.1
174.06715	1.4
175.07516	56.1
176.07901	1.1
177.05403	1.2
177.09073	3.8
178.07680	1.3
179.06979	4.1
179.08508	1.9
185.05934	3.2
187.07504	15.8
189.09093	3.4
190.07732	1.6
191.06958	4.0
191.08521	4.8
194.07245	1.8
199.07542	2.0
202.07779	4.9
203.08481	6.9
205.06581	1.7
205.08568	2.2
207.07973	1.8
211.07613	1.0
217.08519	8.3
218.07222	1.9
219.07977	9.2
220.08784	3.5
221.09410	1.3
222.06715	1.2
231.08026	8.5
232.08736	1.4
233.05899	1.5
234.06592	1.3
235.07605	1.6
235.11081	1.1
236.08298	1.6
237.09094	3.4
238.09796	0.8
239.06914	1.3
246.06932	1.1
247.07550	5.2
248.08293	6.6
249.05246	0.9
249.08974	2.5
251.06789	1.4
251.10641	6.9
259.07462	5.5
260.08267	2.0
261.05383	0.8
261.09143	0.8
263.07156	1.3
263.10626	5.6
264.07486	0.9
265.08575	4.2
266.09109	1.1
267.10193	0.8
273.90402	0.8
276.07962	1.6
277.08633	2.0
279.10117	6.6
280.10782	1.4
281.08060	1.0
281.11462	2.0
291.10074	10.6
293.07950	2.0
295.09787	1.2
296.10345	1.6
297.11313	1.1
308.10388	1.9
309.11151	41.3
310.11508	2.8
311.12766	6.2
313.14325	1.5
313.21814	0.8
323.12750	7.6
323.19873	0.9
341.13733	25.7
341.20856	3.3
342.13852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	1.3
63.76416	1.1
66.18369	1.1
67.05507	1.3
69.03419	2.0
73.04726	1.5
77.00578	1.5
79.05491	2.9
81.07056	1.8
84.08128	3.5
85.02905	3.4
86.03242	1.7
91.05429	2.9
93.07014	1.2
94.04178	3.1
95.04977	1.9
100.31953	1.1
102.50484	1.5
103.05465	2.0
105.07020	3.3
107.04956	1.9
109.02865	2.2
109.06502	3.3
111.04433	1.6
115.05463	2.7
121.06521	1.6
122.03616	8.2
127.03902	2.0
128.06218	3.6
128.10684	1.2
129.06999	12.1
129.11052	1.3
131.04909	2.8
133.02824	2.8
137.05965	100.0
138.06348	1.8
143.04974	1.2
143.08566	1.9
144.05714	4.0
145.06500	1.3
146.07161	1.2
149.05965	1.5
151.03935	1.7
151.07535	2.8
153.05453	1.7
156.05748	1.4
157.06480	8.2
158.07193	1.9
160.05182	2.4
161.06039	3.0
163.07498	3.0
171.08034	2.5
172.05205	7.6
174.06747	11.8
175.07539	11.7
177.05400	1.2
177.09116	1.3
178.08952	11.3
179.06895	2.4
179.09370	10.8
180.08595	2.6
180.10146	1.6
185.05910	1.6
187.05960	2.4
187.07529	38.9
188.04836	1.5
188.08012	2.0
189.09090	14.0
191.08524	6.1
196.05211	1.5
199.07597	3.9
202.07707	2.6
203.08548	14.0
205.06445	2.2
207.08067	1.4
211.07515	5.6
213.05212	1.3
217.08586	24.0
217.10507	2.3
219.07994	12.0
220.08842	5.9
221.05934	1.3
221.09691	1.7
222.06616	1.6
225.05424	1.5
225.09018	1.9
227.06982	4.5
231.08057	16.7
232.08705	3.0
233.05951	2.6
233.09573	1.8
235.07509	3.6
236.08302	3.8
237.09029	2.7
239.07066	6.4
240.07845	3.0
247.07509	7.2
248.08319	15.3
249.09070	3.8
250.06253	2.1
251.10654	8.3
253.08577	3.6
255.06477	4.2
256.07370	1.9
259.07639	5.7
260.08307	3.5
261.09027	5.2
261.11600	1.5
263.07202	1.1
263.08072	1.6
263.10635	13.1
264.07736	4.0
265.08551	5.7
268.07422	1.4
270.08835	6.2
271.09622	13.2
276.07828	10.4
277.08606	4.1
279.10126	15.0
280.10736	3.2
281.08292	2.2
281.11667	2.0
283.09659	2.9
291.10129	32.1
291.13229	2.7
292.10718	3.9
293.08105	7.0
296.10416	10.2
297.11130	2.9
305.11804	1.6
308.10349	5.1
311.12747	18.6
323.12747	29.9
323.16428	1.9
324.13071	2.2
341.13348	14.2
359.03027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.5
55.01869	15.2
55.05501	33.6
57.03442	7.6
57.07065	3.0
59.04996	3.5
65.03928	2.9
67.05494	64.7
69.03420	63.9
69.07061	34.0
70.08028	7.3
71.01322	2.3
71.04983	27.4
73.02949	2.5
76.45397	2.5
77.03935	2.5
79.05482	62.7
81.03407	84.9
81.07047	100.0
83.04977	40.7
83.08604	23.4
85.02897	26.6
85.06559	10.5
87.04450	3.8
91.05459	61.0
93.07029	65.2
93.07585	4.3
95.04396	4.1
95.04960	25.5
95.08594	83.2
96.08939	3.1
96.13161	2.3
96.98444	2.5
97.02882	30.5
97.06517	32.9
97.10182	7.8
99.04442	15.2
99.08106	8.4
101.05991	3.1
103.05492	6.3
105.07015	56.2
107.04948	15.5
107.08582	34.3
109.02872	18.2
109.06502	28.1
109.10147	33.6
111.04465	9.2
111.08049	13.6
115.03970	4.5
115.05492	5.0
117.07009	18.1
119.08567	48.2
121.06483	22.2
121.10161	24.2
122.03707	2.9
123.04440	5.4
123.08051	15.2
123.11675	5.6
125.05984	4.8
125.09640	7.3
127.03902	25.0
127.04596	2.2
127.07580	2.6
128.06235	3.5
129.07008	15.9
131.04950	3.9
131.08542	20.9
133.06467	15.4
133.10097	24.9
135.08026	16.8
135.11696	12.4
137.05972	26.5
137.09654	11.1
137.13271	3.9
139.07550	6.2
139.11174	4.5
141.06989	5.5
142.07750	2.9
143.08566	11.3
145.06514	5.6
145.10081	18.5
147.08090	9.3
147.11630	12.1
149.06027	8.0
149.09669	7.2
149.13255	8.5
151.07539	41.8
151.11211	3.8
153.05496	3.0
155.08597	4.1
157.10149	10.5
159.08064	9.0
159.11700	14.2
161.06012	8.0
161.09618	9.7
161.13232	31.0
163.07573	6.2
163.11191	3.2
165.09193	2.8
167.07062	5.4
169.08669	4.1
169.10054	2.8
171.08009	6.1
171.11682	5.1
173.09683	5.7
173.11752	11.0
173.13316	9.3
175.07605	7.8
175.11272	6.3
175.14870	3.3
177.12802	7.5
179.07053	4.6
179.10748	3.0
179.14249	18.6
181.10139	4.4
183.11650	4.5
185.13290	5.3
187.07558	7.0
187.14880	3.6
189.09097	5.4
189.12805	7.2
191.08513	3.6
191.14311	4.0
195.13966	3.5
197.13336	5.5
197.15309	3.5
199.14809	3.6
201.12833	4.4
201.16423	3.6
203.14258	3.9
205.06696	2.9
205.16006	2.6
207.13748	11.9
209.13620	2.9
209.15268	13.2
215.14276	4.3
217.08578	5.7
219.07913	3.2
219.13823	10.8
221.15388	6.3
222.06821	3.4
223.16969	4.8
225.14827	11.9
227.14337	3.7
231.08153	2.9
233.15411	5.5
234.06804	4.3
235.16910	2.9
237.09003	3.0
237.14859	21.6
245.15361	5.7
248.08319	3.7
249.09106	4.1
249.14746	5.6
251.06888	3.0
251.16382	13.1
259.17081	5.5
263.10590	3.4
263.16415	10.8
265.08456	12.0
266.09274	3.4
269.15485	4.7
275.16394	7.0
277.08521	4.6
277.17987	5.3
281.11740	6.8
287.16385	18.1
291.10193	7.7
293.17603	5.1
295.09500	3.7
305.17410	41.0
309.11057	17.9
323.12701	4.0
323.18515	77.1
323.23422	4.3
324.18668	3.4
341.09961	4.7
341.13733	30.4
341.19736	22.3
341.24637	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01863	13.1
55.05505	36.0
55.85242	2.1
57.03427	9.8
57.07070	3.3
59.04992	2.9
63.47836	2.0
65.03925	5.3
67.05499	66.4
68.99773	2.6
69.03421	67.2
69.07069	21.6
69.45045	11.1
71.01357	2.8
71.04985	20.7
74.38065	2.0
79.05487	49.7
79.15057	2.3
81.03409	83.4
81.07049	100.0
83.04517	5.0
83.04971	45.7
83.08604	20.2
85.02905	23.2
85.06528	12.7
87.04443	3.0
91.05469	48.0
93.07034	63.1
93.07605	4.4
95.01341	3.2
95.04958	27.1
95.08597	81.6
96.08949	2.9
97.02887	25.8
97.06525	33.6
97.10159	8.6
99.04440	14.8
99.08090	6.7
105.04543	3.3
105.07014	51.0
107.04947	9.3
107.08585	40.5
109.02880	21.5
109.06515	23.2
109.10134	24.7
111.04443	8.6
111.08069	12.0
113.05981	2.3
115.03896	5.2
115.05418	3.7
117.06976	18.4
119.08573	41.3
121.06493	23.2
121.10142	16.4
123.04417	5.6
123.08065	17.1
123.11738	4.3
125.05979	5.4
125.09624	3.7
127.03918	26.8
128.06229	6.8
129.07002	13.5
131.04921	4.8
131.08565	27.0
133.06488	13.4
133.10120	27.0
135.08028	15.3
135.11687	9.9
137.05952	12.7
137.09595	8.0
137.13240	4.6
139.07544	6.4
141.06961	5.2
142.07784	2.5
143.08580	14.3
145.04915	2.4
145.06465	5.9
145.10115	13.2
147.08035	10.8
147.11702	10.8
149.05957	4.9
149.09586	4.4
149.13277	8.7
151.07524	33.2
151.11191	3.7
153.09061	2.7
155.08554	5.7
157.06482	3.2
157.10136	8.9
159.08029	7.3
159.11705	14.5
161.05957	5.9
161.09645	7.2
161.13245	32.2
163.07559	6.2
163.11218	3.2
163.14806	2.6
165.09151	2.8
167.06995	3.4
167.08432	2.9
169.10088	4.6
171.08063	3.0
171.11638	6.3
173.09581	6.5
173.11765	5.3
173.13264	9.6
175.07501	3.6
175.11241	4.9
175.14827	4.6
177.09225	2.9
177.12756	6.7
179.07143	2.6
179.08603	2.7
179.14291	18.6
183.11745	3.4
185.09587	3.7
185.13260	6.0
187.07556	7.1
187.14841	4.1
189.09232	2.9
189.12721	6.2
191.14287	7.6
192.82709	2.4
193.12175	2.3
194.82671	2.5
195.13760	5.6
197.13310	2.6
199.14801	3.6
201.12680	6.3
203.14362	3.4
205.15904	3.0
207.13782	9.6
209.09531	2.4
209.15408	16.3
211.07632	3.0
213.12775	4.0
215.14272	4.8
219.13762	9.0
221.15396	5.2
223.16881	4.3
225.14879	13.5
227.07100	2.5
227.14192	3.2
231.13873	3.3
233.15399	10.5
235.16835	2.9
237.08925	2.9
237.14777	16.4
239.16452	2.8
241.15836	3.1
245.15385	6.5
249.08859	3.2
249.14725	5.7
251.16345	14.2
259.16858	7.3
263.10663	3.1
263.16379	14.0
265.08542	4.5
269.15427	3.5
275.16406	5.6
277.17972	7.0
280.10901	5.0
281.11707	7.7
281.17477	6.4
287.16293	18.3
293.17551	5.2
300.09845	3.2
305.17447	53.7
309.11197	10.5
310.12048	2.6
323.18506	72.1
323.22745	3.3
324.19006	5.7
341.13727	25.1
341.19702	23.3
341.24353	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	341.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98257	22.2
67.73356	1.0
71.08549	1.5
77.98627	0.9
81.14634	1.1
89.39017	1.0
110.68985	0.9
138.58023	1.0
140.54688	1.0
161.75392	1.1
196.45532	1.0
319.21082	3.9
323.16052	1.6
323.19583	16.9
337.22205	2.8
340.39426	1.3
341.20599	100.0
342.20673	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	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05506	10.7
57.03413	2.3
57.07074	17.1
61.02920	2.7
69.03423	5.0
69.11400	10.8
73.02887	1.7
79.05466	2.7
81.03407	3.6
83.08601	3.4
85.02895	21.7
89.06025	42.4
91.05488	4.6
93.07044	2.8
94.07379	2.4
97.02881	4.9
98.22695	3.1
101.09643	16.7
107.07057	41.6
107.08594	3.1
109.02872	1.8
109.06606	1.6
115.05468	2.9
116.52632	1.5
117.07049	2.9
119.04926	2.2
119.81105	1.8
121.06501	1.6
121.10106	2.5
122.10494	2.1
127.03874	2.4
131.04933	2.0
135.08054	15.1
137.05978	11.1
138.06305	2.4
145.04977	4.1
152.50742	1.8
155.45984	1.6
161.05969	2.7
163.07582	7.7
163.13280	100.0
164.13617	3.6
175.07471	2.1
181.08694	1.8
207.05023	1.9
252.11105	1.8
311.12695	2.8
313.14890	1.6
342.14304	1.6
343.12640	15.4
343.16748	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	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	19.2
67.05480	24.2
83.05874	12.7
95.08608	16.3
105.07089	20.9
105.42129	13.3
148.27989	12.9
189.11252	34.5
240.23180	100.0
241.94589	16.5
275.20001	28.4
300.03305	18.5
342.28799	58.4
343.11630	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12203	2.6
53.03937	2.8
55.01869	9.1
55.05507	61.8
67.05502	24.4
69.03406	7.2
69.07066	45.6
79.05485	42.0
81.03429	2.8
81.07039	26.9
83.04973	6.7
83.08612	41.2
85.06530	4.8
91.05473	20.6
93.07035	26.2
95.04948	5.3
95.08615	20.4
97.06542	11.5
97.10166	77.7
98.23495	6.8
105.07027	23.8
107.04911	4.0
107.08588	94.6
109.06516	3.8
109.10156	5.4
111.08121	4.3
117.07024	10.4
119.08581	10.4
121.10136	8.3
125.09619	88.3
129.72209	2.8
131.08557	9.6
133.10089	8.1
135.08038	19.1
135.11703	6.8
145.10083	15.7
147.11710	9.7
149.09584	7.3
151.07545	2.7
153.09096	17.3
153.79561	3.0
155.27045	2.7
157.10236	3.4
157.12244	6.8
159.11687	11.0
161.09593	3.9
161.13268	7.1
163.11217	6.6
181.12283	3.1
185.11856	3.3
203.12767	100.0
221.15411	3.2
225.96040	2.6
239.18036	4.5
257.18976	16.6
275.20074	49.6
279.84149	2.9
289.21616	12.9
305.66919	4.1
307.22696	11.1
343.11502	4.5
343.18781	12.4
343.22473	3.4
343.32953	2.9
346.21161	3.4
346.25885	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	343.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	38.0
69.03428	5.0
97.99184	4.4
98.22972	1.6
98.97581	50.5
99.04464	2.4
103.45627	1.3
107.67107	1.4
110.97554	13.5
111.12980	1.4
112.99136	2.1
116.00201	2.6
116.98614	24.3
121.99155	3.9
124.00719	30.0
125.45506	1.5
128.98604	13.4
131.00258	1.5
134.99684	5.0
140.00171	18.4
142.01750	100.0
146.99651	3.9
150.98169	3.0
154.01746	5.6
156.01402	1.9
157.02809	2.0
157.04582	2.4
158.01251	12.1
159.04408	9.6
160.02817	45.8
168.99210	9.6
170.99680	3.4
172.02919	2.1
174.02423	4.8
176.02292	1.9
177.05479	2.3
185.02396	6.1
186.00734	8.6
187.00249	34.4
189.76367	1.6
194.01424	2.0
201.00627	2.4
203.03375	56.7
204.01782	6.9
204.03633	3.3
205.01300	14.2
211.00261	2.8
219.04407	2.5
221.04349	32.2
229.01256	19.2
231.07619	2.0
232.96294	2.4
237.05469	3.5
239.07062	6.4
241.01254	4.4
245.06337	1.9
249.02815	1.9
250.97520	2.9
253.01198	2.5
259.02286	2.5
265.04968	3.5
266.03250	3.1
283.05969	19.7
301.07034	88.7
302.07471	3.5
319.04428	5.5
319.08090	7.3
337.05881	2.4
343.04388	6.3
361.05664	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1384
Annotation	Coniferin
Peak:m/z	Relative Intensity
51.87128	0.3
53.03941	0.8
54.10915	0.3
55.01858	0.9
57.03424	1.2
61.02926	0.5
61.41201	0.3
65.03938	0.5
67.05491	0.9
69.03418	2.3
70.49895	0.4
71.04976	0.6
73.02918	0.5
77.03935	0.4
79.05480	7.3
81.03406	1.8
81.07061	0.5
85.02898	2.3
86.09694	0.5
91.05470	12.4
93.07029	0.5
95.04958	0.8
97.02894	1.2
97.06528	0.5
98.22893	0.5
99.04462	1.5
103.05470	0.4
105.04466	0.3
105.07014	6.3
106.04213	0.3
107.04936	3.0
107.08580	24.9
108.08926	0.9
109.02880	0.8
109.06503	3.3
115.05439	7.1
116.55408	0.3
117.07005	8.9
118.07344	0.4
119.06055	2.8
120.05738	0.7
120.15632	0.3
123.08073	0.3
127.03925	0.9
131.08556	0.4
133.06497	1.1
135.08034	100.0
136.08383	3.1
137.05954	1.1
146.62788	0.3
161.05943	0.8
163.07520	40.9
164.07834	1.1
167.06935	0.3
175.07576	0.3
181.04976	1.9
181.08585	11.7
189.09045	0.8
204.06372	0.3
206.04237	0.3
207.04945	0.9
227.87782	0.3
283.11752	0.6
293.11230	0.3
311.12769	0.6
325.16437	0.5
343.13126	6.8
343.17270	3.2
343.22101	0.6
357.28250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01857	2.3
63.88154	2.5
69.03428	2.1
69.07074	1.9
69.21027	12.1
73.79954	1.8
79.05471	6.7
81.03447	1.9
81.07009	4.3
85.02911	1.8
91.05460	7.6
93.07033	1.9
95.04957	3.9
95.14355	1.6
103.05433	9.5
105.07050	12.4
107.04920	5.9
107.08557	5.4
109.02812	2.4
109.06541	2.8
115.05441	8.4
117.06993	5.8
119.04921	3.8
119.08557	2.0
121.06493	2.0
122.03635	3.0
123.04385	2.7
128.06177	3.7
129.06961	5.6
131.04918	12.4
133.06474	4.6
135.08020	8.7
137.05968	35.9
138.06207	2.3
141.06944	6.3
143.08505	2.0
145.06499	4.0
146.03615	17.9
147.08014	6.2
149.05907	4.1
151.03909	4.6
151.07521	15.7
157.06450	3.5
157.10069	2.2
159.04308	2.1
160.05183	3.3
161.05974	100.0
162.06273	3.1
163.03900	2.3
163.07542	16.7
165.06937	8.4
165.09129	2.3
166.07709	2.1
167.07004	7.9
167.08380	2.9
168.05643	1.9
169.06461	6.3
174.06708	5.7
175.07541	84.8
176.07915	4.2
177.09222	9.6
178.07750	4.8
179.08522	6.1
181.04900	5.1
181.06412	4.1
181.08582	6.2
181.84354	1.9
183.08131	2.4
187.07503	3.7
189.07005	3.0
189.09059	7.2
190.07721	7.0
191.08571	3.6
191.10457	1.8
193.08591	4.7
194.07213	5.5
195.07979	3.9
196.08827	3.3
198.88789	1.9
199.07510	2.2
201.09070	6.7
203.08565	3.1
204.09323	2.5
205.06427	6.8
205.10106	5.9
207.07944	6.9
208.08754	2.2
209.05910	3.6
209.09685	3.9
211.07419	5.7
215.08444	2.1
218.07253	6.3
219.08093	4.2
219.10117	5.3
221.05986	9.4
222.06665	8.5
222.10228	2.2
223.07446	4.2
224.08206	7.8
225.09097	5.1
232.08760	2.4
233.05943	5.7
233.09547	18.4
234.06651	4.8
234.10291	2.9
235.07520	12.4
236.08154	5.4
237.05423	4.9
237.09097	14.3
238.09683	3.0
239.06989	6.8
239.10588	5.3
240.07739	2.9
241.08493	4.1
247.07552	3.9
247.10870	2.2
249.09088	4.1
250.06290	10.1
250.09807	7.2
251.06969	5.5
251.10625	3.8
252.07759	8.1
253.08641	7.5
254.09410	2.8
255.10242	2.1
261.09091	10.0
263.07034	6.0
264.07687	5.8
265.08548	30.6
265.12158	11.8
266.09058	3.7
267.10114	13.7
268.10956	2.1
269.07996	13.8
269.11670	5.9
270.08603	2.1
278.09283	8.6
279.10049	6.0
281.08029	4.0
281.11496	2.3
282.08737	8.0
283.09579	4.7
283.13251	3.6
284.10443	9.2
285.10934	2.0
293.08386	3.1
293.11621	20.6
294.12408	4.0
295.09564	5.5
296.10257	4.4
297.11230	36.7
297.14548	3.8
299.09390	3.6
299.12787	56.7
300.12979	5.3
310.11920	5.6
311.09457	3.1
311.12726	45.8
312.13217	4.5
313.10696	3.7
325.10724	2.6
325.14133	15.6
328.12750	3.9
342.93579	2.4
343.11609	10.7
343.15308	67.4
343.22318	5.0
344.15579	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
53.03939	2.0
55.01875	4.0
67.05499	2.2
69.03423	2.9
79.05476	11.5
81.03413	5.2
81.07055	5.9
81.91331	2.6
85.02883	3.1
88.71055	2.1
89.82668	1.9
91.05469	20.4
93.07066	3.1
94.04192	3.3
95.04952	5.4
95.08611	4.7
97.90741	2.1
98.23058	2.4
102.04686	5.4
103.05466	23.9
105.03389	2.5
105.07018	17.8
106.04183	2.3
107.04941	29.0
107.08603	7.6
109.06511	4.0
112.14586	2.5
115.05434	13.2
117.03405	2.2
117.07008	6.9
119.04952	3.6
121.06527	4.9
122.03645	5.0
122.07307	6.9
123.11716	2.6
125.06030	3.4
129.06989	2.5
130.04115	6.3
131.04889	19.0
131.08650	2.1
133.06502	8.4
135.08041	29.9
137.05969	75.8
141.07007	3.5
145.06532	3.2
146.03601	10.3
147.04402	12.3
147.08034	4.3
149.05981	8.2
151.07582	11.7
153.05484	8.7
158.07329	2.8
159.08057	2.2
160.05156	2.6
161.05968	59.6
162.06755	21.6
163.07536	46.3
165.07077	3.5
166.07793	2.6
169.06461	5.8
174.57210	2.1
175.07538	41.7
177.05411	3.1
177.09143	6.4
179.08488	5.6
181.04979	6.8
181.06419	2.9
181.08554	10.8
187.07602	2.4
189.06952	2.8
189.09151	5.6
190.07845	3.4
191.06990	2.3
191.08554	2.6
193.08592	3.1
194.07292	6.4
195.08032	4.1
201.09103	5.8
205.06548	4.6
205.10146	6.0
207.08136	7.1
209.09685	3.4
211.07544	2.5
218.07266	5.7
219.08153	4.4
219.10185	10.4
221.05870	3.7
221.09645	2.2
222.06743	9.2
224.08315	5.6
233.05956	5.1
233.09669	10.0
234.10268	3.5
235.07521	6.3
236.08200	3.8
237.09074	10.0
239.10742	2.5
241.08630	3.2
249.05324	2.9
249.09093	3.4
250.06158	5.3
250.09818	3.9
251.07007	3.9
251.10887	2.4
252.07829	4.4
253.08553	3.8
261.09097	9.0
263.06616	2.1
264.07794	5.3
265.08603	17.3
265.12238	9.1
266.09030	4.0
267.10046	10.2
269.08173	7.8
269.11673	2.1
278.09146	4.1
279.10062	5.0
281.08243	3.5
282.08826	7.4
283.13016	2.1
284.10416	7.6
293.11688	17.6
294.12320	2.4
295.09570	4.5
296.10550	2.5
297.11255	38.2
297.14853	5.5
299.12735	39.9
300.12793	3.1
311.12744	100.0
312.13092	6.5
313.14343	2.6
325.14389	21.9
343.15204	37.6
343.22153	2.9
344.15622	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
50.92300	1.5
55.01862	2.6
59.63623	1.8
67.05502	1.8
69.34066	8.7
70.06548	1.7
79.05485	10.2
81.07034	3.1
91.05463	18.3
93.07046	2.9
94.04191	3.6
95.04961	5.7
102.04666	4.0
103.05447	20.7
105.03426	2.4
105.07026	13.0
107.04940	29.5
107.08546	2.0
109.02911	1.7
109.06493	2.6
110.03654	1.8
115.05441	14.4
117.03425	1.7
117.06999	5.4
119.04935	4.9
121.06482	5.1
122.03623	4.9
122.07276	7.7
123.04371	2.3
124.21889	1.7
128.06117	1.6
129.06973	3.3
130.04143	6.4
131.04907	16.5
132.05684	1.7
133.06496	7.6
134.02884	1.9
135.08049	8.9
137.05949	78.0
141.06950	5.0
144.05545	1.6
145.06483	2.9
146.03613	7.2
147.04391	12.7
147.08038	4.5
148.08791	3.9
149.05948	7.0
151.03851	1.9
151.07526	7.5
153.05423	3.4
159.08003	1.8
160.05211	3.7
161.05963	57.0
161.07300	3.0
162.06726	21.9
163.07518	42.8
165.06969	3.5
167.07054	3.6
167.08409	1.8
169.06488	4.0
170.07204	1.9
174.06772	3.9
175.07533	50.3
177.09152	7.2
178.07645	2.9
179.08546	4.6
181.04958	6.8
181.06506	2.3
181.08530	9.5
189.07135	2.2
189.09099	5.0
190.07716	5.6
193.08629	2.7
194.07225	6.4
195.07959	2.8
201.09126	5.7
203.08589	2.2
205.06438	7.2
205.10056	9.1
207.08083	7.7
209.06020	2.4
209.09587	3.9
211.07442	4.5
215.08522	3.1
218.07297	5.8
219.07970	4.6
219.10141	14.3
221.05954	5.2
221.09641	2.8
222.06757	7.6
223.07533	4.2
224.08281	4.9
225.08994	2.0
233.05939	4.5
233.09631	11.9
234.06822	2.4
234.10170	1.9
235.07515	6.5
236.08258	3.7
237.05515	2.8
237.09074	12.0
239.06966	4.0
239.10655	4.5
241.08574	3.8
247.07547	1.8
249.09048	4.2
250.06206	4.1
250.09808	5.1
251.07056	4.8
252.07715	3.6
253.08612	4.0
254.09245	3.7
260.08124	1.7
261.09222	9.0
263.06958	3.9
264.07843	3.2
264.11368	2.1
265.08597	23.2
265.12155	8.5
266.09186	4.2
267.06522	2.0
267.10147	8.9
269.08011	10.0
270.08679	2.5
278.09268	4.2
279.10025	2.8
282.08844	6.1
283.13147	3.3
284.10394	8.1
292.42798	1.7
292.46170	2.0
293.11600	15.8
295.09396	2.1
297.11169	40.0
297.14557	2.9
299.12735	35.9
300.13025	2.3
310.11993	3.6
311.12726	100.0
312.13123	9.0
325.14273	19.5
343.16907	33.8
344.16013	1.7
369.28247	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01862	3.3
55.05507	2.9
64.15960	1.2
67.05489	2.4
69.03423	2.1
69.07053	1.6
71.43011	1.6
74.06075	1.6
77.74819	1.2
79.05484	8.9
81.03414	1.5
81.07070	6.0
82.84456	1.2
84.08120	4.5
85.02886	2.0
85.06541	1.6
91.05477	13.2
91.69302	1.3
93.07039	6.9
94.04172	1.8
95.04966	6.9
95.08587	2.9
97.06511	1.3
103.05460	15.0
105.03400	1.4
105.04514	1.6
105.07030	19.7
107.04969	14.4
107.08584	5.0
109.02880	2.1
109.06510	3.3
109.10125	1.5
115.05449	9.2
117.06991	4.2
118.04207	1.6
119.04919	2.5
119.08559	2.2
121.05727	1.4
121.06465	8.0
122.03642	2.7
123.04441	4.2
123.08009	1.9
125.05962	2.1
127.03938	1.5
128.06189	6.6
129.07002	17.2
131.04916	16.4
131.08546	4.8
132.05727	1.5
133.06447	10.9
133.10127	1.9
135.04359	1.7
135.08049	5.3
135.11703	1.6
137.05980	30.2
138.06387	1.7
141.06972	4.4
141.30978	1.1
143.04901	1.6
143.06088	1.9
143.08543	2.1
145.06480	3.2
146.03629	14.2
147.04364	3.6
147.08047	3.0
149.05975	7.4
151.03882	3.5
151.07503	7.9
153.05466	2.5
153.06902	1.3
156.05647	2.1
157.06487	7.9
157.10086	1.6
159.07977	1.8
160.05113	3.2
161.05968	100.0
162.06413	4.7
163.07515	28.3
163.11209	2.2
165.06996	4.7
166.06229	4.1
166.07707	3.7
167.07022	21.8
167.08366	1.6
169.06485	3.4
173.09608	4.2
174.06712	7.5
175.07532	57.6
176.06293	1.7
176.07918	2.7
177.05449	1.5
177.06889	2.8
177.09132	2.8
178.07751	3.8
179.08569	7.6
181.04918	4.4
181.06406	3.0
181.08586	31.5
181.10051	1.5
182.08902	1.9
183.07912	1.5
187.07622	1.3
189.07227	3.3
189.09079	37.5
190.07788	6.5
191.08409	2.6
191.10654	1.9
193.06441	1.8
194.07242	11.8
195.08015	3.5
196.08839	2.1
201.09143	2.9
202.07799	1.8
203.08571	2.2
205.06479	7.1
205.10104	9.7
206.07268	2.0
207.08093	8.4
208.08774	4.0
209.09546	3.2
211.07405	2.2
215.08559	5.5
217.06451	1.7
218.07312	9.9
219.08011	6.3
219.10153	5.0
221.06052	8.3
221.09595	3.8
222.06764	12.1
222.10329	3.4
223.07506	5.1
224.08282	6.2
225.09027	2.7
227.13928	2.0
231.08038	1.4
232.08673	3.5
233.05968	4.3
233.09576	15.6
234.06711	4.3
234.10339	4.2
235.07513	13.6
236.08308	4.3
237.05435	4.9
237.09070	14.5
238.06161	2.1
238.09567	1.7
239.07036	4.5
239.10689	5.8
240.07877	1.6
241.08705	2.8
247.07576	5.1
249.05463	2.6
249.09093	3.8
250.06206	8.5
250.09860	9.1
251.06900	5.5
251.10541	5.1
252.07770	5.2
253.08549	4.1
254.09377	3.0
260.08374	2.3
261.09000	12.6
262.09784	5.5
263.06961	6.1
264.07828	6.9
265.08563	39.3
265.12155	9.4
266.09100	4.3
267.06586	2.1
267.10117	10.0
269.08029	8.1
269.11398	1.2
271.30240	1.3
277.08453	2.5
278.09311	11.7
279.10120	5.7
281.07855	2.2
282.08905	7.7
282.11768	1.7
283.09589	3.6
283.13214	5.0
284.10574	6.4
293.11710	29.1
294.12158	2.7
295.09573	3.8
296.10358	3.0
297.11237	30.8
297.14841	4.4
298.11435	1.7
299.09283	1.8
299.12662	19.0
300.13074	1.5
310.11902	2.9
311.09406	3.4
311.12726	79.8
312.13321	5.9
315.15787	2.2
324.04984	1.3
325.11484	1.2
325.14395	15.2
325.21811	1.7
326.14505	1.5
343.11816	5.2
343.15363	63.3
343.22510	2.9
344.15735	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	343.1537
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
55.01859	3.5
57.78448	1.4
63.47407	1.5
65.03918	3.4
65.41881	1.4
69.03413	1.6
71.96766	1.3
78.04722	1.6
79.05489	9.3
81.03379	2.0
81.07058	2.2
85.02923	1.9
86.09691	2.8
91.05465	18.9
94.04133	1.9
95.04956	4.2
96.33282	1.3
98.23116	1.8
99.04416	1.6
102.04683	4.6
103.05453	19.1
105.03384	3.0
105.07025	13.0
106.04190	3.9
107.04943	28.5
107.08588	7.7
108.02139	1.6
109.02840	2.4
109.06516	3.6
115.05449	11.5
116.06213	3.2
117.06992	7.4
118.04088	1.5
119.04919	3.3
121.06493	5.2
122.03654	4.3
122.07278	8.2
123.77077	1.4
129.06963	2.6
130.04166	6.9
131.04918	18.3
133.06474	6.6
135.08028	28.1
136.08363	1.6
137.05954	72.4
138.06233	1.7
140.04707	1.7
141.07021	2.4
143.08527	1.4
145.06468	3.2
145.07574	1.6
146.03632	8.9
147.04385	12.1
147.08017	4.8
148.03912	3.4
148.08824	1.4
149.05956	5.9
151.03920	2.4
151.07510	10.5
158.07356	1.6
160.05164	2.8
161.05951	55.8
162.06749	21.3
163.07518	48.3
163.08871	2.4
165.07002	3.1
169.06467	4.7
173.09590	2.0
174.06892	1.8
175.07513	54.8
176.07964	1.4
177.05573	2.2
177.06960	1.7
177.09053	8.8
178.07780	3.3
179.08507	5.1
179.10579	1.9
181.04938	11.4
181.06412	2.8
181.08603	8.6
187.07581	1.7
189.06981	2.1
190.07790	4.6
191.08556	1.9
193.08537	2.8
194.07259	6.6
195.07999	2.0
201.09070	5.2
203.08620	1.5
205.06514	4.0
205.10086	6.4
207.08081	6.5
209.09624	3.9
211.07472	3.2
215.08519	2.6
217.06587	1.8
218.07248	5.3
219.08122	2.8
219.10121	15.6
221.05983	2.5
221.09624	3.4
222.06686	6.6
222.10341	3.0
223.07591	2.2
224.08255	4.5
225.09128	2.5
226.19931	1.4
232.08746	2.1
233.05913	4.7
233.09595	14.0
234.06790	1.9
234.10280	2.1
235.07523	8.1
236.08217	2.7
237.09021	11.4
238.09760	2.4
239.06992	1.8
239.10634	3.0
241.08490	2.3
249.05373	1.6
249.09149	2.9
250.06230	3.0
250.09880	6.5
251.06914	2.0
251.10706	1.7
252.07817	2.5
253.08498	3.4
254.09370	4.9
260.08267	1.5
261.08966	6.6
262.09857	2.5
263.07013	3.0
264.07678	3.6
265.08557	21.9
265.12198	9.1
266.09262	3.9
267.10068	8.7
269.08054	5.7
269.11212	1.9
278.09332	4.3
279.10187	3.6
281.07959	2.3
281.11609	2.8
282.08896	4.8
283.09512	2.0
284.10425	6.4
293.11658	18.8
294.12296	4.0
295.09698	2.8
296.10452	1.8
297.11206	39.7
297.14822	4.3
298.11487	2.6
299.12714	41.9
300.13007	3.0
301.11649	1.9
310.11920	5.9
311.12708	100.0
312.13248	7.4
313.14328	3.6
325.08911	2.0
325.14301	23.3
326.14322	1.6
340.79666	1.5
343.15192	40.8
344.15775	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1535
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
51.02342	0.6
53.03921	1.0
55.01846	2.0
55.05471	1.0
60.16033	0.6
65.03904	2.2
65.22723	0.6
69.03393	2.1
69.83791	2.1
70.65376	0.7
71.04978	0.7
77.03896	1.4
78.04683	1.5
79.05119	0.8
79.05479	7.5
81.03407	5.3
83.30211	0.7
84.67469	0.6
85.02884	3.3
89.03884	1.1
89.40466	0.8
91.04943	0.9
91.05464	15.4
93.03353	0.9
93.07037	1.1
94.04143	1.5
95.04964	4.8
97.02863	0.9
100.11230	5.2
102.04658	4.8
103.05458	17.1
105.03357	2.4
105.04453	1.5
105.07021	9.4
106.04140	3.8
107.04938	25.6
107.08549	2.0
109.02848	1.3
109.06473	3.1
114.69320	0.7
115.04735	1.0
115.05444	11.0
116.06203	1.2
117.03376	1.2
117.06988	4.7
119.04900	3.1
119.08541	0.7
120.05711	0.9
121.06481	4.7
122.03602	2.8
122.07268	7.9
123.04397	0.7
127.03880	1.0
128.06146	1.3
129.06955	1.7
130.04124	5.5
131.03966	0.8
131.04913	15.1
132.05763	1.5
133.06479	4.6
135.04472	0.7
135.08026	8.3
136.05133	0.8
137.05952	38.7
138.06300	1.3
140.04645	2.3
141.06940	3.0
144.05666	1.3
145.06433	3.0
145.07475	0.9
146.03606	5.7
147.04402	6.9
147.07997	5.1
148.08757	2.1
149.05940	6.1
151.03830	1.8
151.07526	8.2
153.05447	0.9
155.07025	1.5
157.06442	2.0
158.07179	1.0
159.04453	0.7
159.08000	1.4
160.05153	1.6
161.05954	36.1
161.09552	1.2
162.06741	13.2
163.07520	27.8
163.08876	1.5
164.07849	1.0
165.06955	2.6
166.07724	1.9
167.08409	1.2
169.06532	3.9
171.06535	1.0
173.09593	1.8
174.06686	1.5
175.07521	36.6
175.93813	0.6
176.07939	1.4
177.05482	1.4
177.06961	2.1
177.09064	8.6
178.07718	1.9
179.08492	3.0
179.10602	2.9
181.04950	22.5
181.06467	2.7
181.08458	4.7
182.05244	0.7
186.06763	0.9
187.07504	0.9
189.06961	1.1
190.07709	3.4
191.08430	1.2
191.32054	0.6
192.09273	0.9
193.06639	1.0
193.08565	3.7
194.07240	5.6
195.07947	1.8
195.75858	0.7
196.08655	0.9
196.15573	0.6
199.05945	1.3
201.09044	2.7
202.07764	1.1
203.08563	1.8
204.09431	1.0
205.06480	3.6
205.08444	0.8
205.10094	5.6
206.07277	1.6
207.08025	5.1
208.08704	1.2
209.05882	1.7
209.09538	2.5
209.16522	1.0
210.06767	0.9
211.07526	1.9
215.08533	2.5
218.07268	3.2
219.07941	2.9
219.10083	14.6
220.10466	1.0
221.05927	2.7
221.09547	1.8
222.06769	5.3
222.10344	1.9
223.07390	2.7
223.11154	1.0
224.08228	3.0
225.09012	1.5
231.08080	1.0
232.08734	1.4
233.06081	3.8
233.09563	10.7
234.06601	1.8
234.10245	1.4
235.07527	6.0
236.08232	2.5
237.05426	1.5
237.09055	7.5
237.12643	1.7
238.09669	0.7
239.06931	2.2
239.10576	3.7
241.08543	2.8
246.06596	1.0
247.07394	1.2
247.11331	0.8
249.05341	1.3
249.08997	2.9
250.06195	3.9
250.09810	4.7
251.06911	3.1
251.10597	1.4
251.38805	0.6
252.07761	3.0
253.08519	2.8
254.09291	2.4
261.09024	5.9
262.09857	1.2
263.06866	1.9
264.07755	2.7
265.08539	18.4
265.12149	5.5
266.09161	2.5
267.06366	0.7
267.10095	5.6
268.10922	0.7
269.08093	6.8
269.10941	1.2
270.08521	0.7
277.08569	1.5
278.09268	3.3
279.10086	1.8
281.07980	1.9
281.11569	1.3
282.08810	6.3
283.09720	1.3
283.13254	2.0
284.10358	6.2
285.51071	0.7
293.11649	15.8
294.12296	2.9
295.09665	2.1
296.10373	1.5
297.11221	28.4
297.14780	3.9
298.11505	1.8
298.14975	1.0
299.12714	27.5
300.13062	2.4
310.11896	3.5
311.12711	100.0
312.13129	5.7
313.14230	1.5
315.15817	2.0
325.09274	3.8
325.14264	17.9
326.14478	1.1
343.11243	1.6
343.15341	29.7
343.30612	3.6
344.15808	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
52.06906	0.7
55.01863	1.7
57.01895	0.7
59.05853	0.6
71.04971	0.9
77.94159	0.6
79.05472	2.9
81.07029	1.7
91.05444	3.3
95.04933	1.1
103.05456	8.0
105.06340	1.0
105.07018	14.9
107.04948	3.5
109.06481	2.6
115.05452	5.0
117.03320	0.9
117.07008	1.3
118.04146	0.8
119.04931	0.8
119.08562	0.7
131.04918	10.1
133.06454	10.2
137.05949	15.6
138.06189	0.8
141.06969	2.5
143.04869	1.1
143.06009	1.6
145.06464	1.2
146.03601	9.2
147.04401	1.2
149.05936	2.0
151.07500	4.7
153.06839	0.8
160.05119	2.0
160.45349	0.6
161.05949	100.0
162.06366	3.0
163.07516	18.6
165.06995	2.7
166.07753	2.1
169.06432	1.6
174.06757	0.6
175.07515	41.9
176.07901	1.2
177.06958	1.7
177.08990	0.9
178.07773	2.1
179.05463	0.6
179.08537	4.5
181.06477	2.2
181.10086	1.0
182.07281	0.8
183.07965	0.7
185.58296	0.7
186.06767	0.9
187.07526	1.3
189.06912	2.5
190.07745	5.5
191.08495	1.6
193.06439	1.3
193.10081	0.9
194.07227	9.1
195.07941	2.7
196.08736	1.3
201.09042	1.5
202.07663	0.9
203.08524	2.9
204.09151	1.6
204.40334	0.7
205.06487	6.3
205.10081	6.8
206.07327	1.8
207.07997	6.7
208.08728	2.0
209.05998	1.9
209.09639	3.8
211.07518	1.4
215.08572	4.8
217.06500	0.9
218.07208	4.7
219.07961	3.1
219.10063	1.5
221.05904	7.7
221.09665	2.0
222.06741	9.4
222.10341	2.0
223.07535	4.1
224.08266	5.7
225.09042	1.6
229.10555	0.8
231.08015	1.5
232.08792	3.6
233.05867	2.2
233.09579	12.9
234.06754	4.3
234.10277	3.4
235.07494	9.8
236.04547	0.7
236.08252	3.7
237.05461	4.4
237.09061	11.5
238.06148	0.9
238.09727	0.8
239.07114	1.3
239.10568	3.8
241.08614	1.2
247.07425	2.3
248.57758	0.7
249.05383	2.3
249.08997	4.6
250.06223	9.9
250.09869	6.8
251.07042	3.3
251.10480	1.8
252.07794	4.2
253.08490	3.0
254.09195	1.4
260.08282	1.4
261.09039	11.3
262.09711	3.7
263.07025	6.0
263.09683	0.9
264.07852	4.9
264.10666	0.9
265.08575	38.3
265.12158	5.5
266.09009	2.8
267.07056	1.1
267.10110	8.8
268.10840	1.1
269.08008	4.5
269.11688	0.7
277.08469	2.4
278.09290	9.3
279.09949	4.2
281.08026	2.6
282.08859	2.3
283.10135	1.0
283.13089	3.3
284.10416	3.6
291.09875	0.8
293.11685	21.1
294.12207	2.2
295.09579	2.0
296.10300	2.2
297.11160	13.8
297.14474	1.3
298.11536	1.2
299.12732	8.7
310.11942	1.2
311.12708	73.7
312.13101	5.2
313.06976	1.6
313.10284	1.0
325.14310	8.3
326.14600	0.8
343.11707	3.5
343.15344	35.4
344.11725	0.9
344.15753	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24039	1.2
55.01860	1.8
69.85218	4.8
70.78194	1.4
74.06062	2.1
79.05474	3.0
81.07043	2.9
91.05467	3.8
98.23351	2.4
98.26286	1.7
103.05452	8.5
105.07014	15.9
106.51279	1.5
107.04929	4.2
109.06515	2.1
113.42435	1.5
115.05398	7.8
118.04143	1.5
119.04916	2.0
121.06483	1.8
131.04909	11.1
133.06444	7.8
137.05957	15.0
141.06943	3.6
146.03598	9.7
149.05865	1.5
151.07495	5.0
160.05144	2.1
160.87608	1.4
161.05956	100.0
162.06410	4.2
163.07520	17.4
163.67505	1.5
165.06943	3.9
166.07799	2.9
166.96645	1.5
168.45212	1.4
175.07516	41.3
177.06918	2.4
178.07724	2.0
179.08537	4.6
181.06435	4.9
189.06935	2.8
190.07750	5.0
191.08539	2.6
193.06445	2.0
194.07257	8.6
195.07922	3.1
201.09056	2.5
203.08527	3.2
205.06451	6.3
205.10060	6.6
206.07158	2.4
207.08060	9.8
209.05977	2.9
209.09567	4.3
215.08591	3.6
218.07300	6.3
219.08026	3.3
221.05972	5.2
221.09584	3.3
222.06743	6.9
222.10350	2.0
223.07521	3.6
224.08199	6.9
231.07845	1.8
232.08748	4.2
233.05952	3.9
233.09505	16.3
234.06686	4.4
234.10202	2.6
235.07439	9.2
236.08199	5.2
237.05428	4.3
237.09088	11.1
237.12535	2.0
239.06813	2.0
239.10480	2.4
241.08543	3.1
249.05528	2.3
249.09015	4.5
250.06302	11.9
250.09830	5.5
251.06854	2.7
252.07733	5.5
253.08443	4.2
254.09369	2.2
260.08255	1.7
261.09073	11.9
262.09805	2.9
263.07062	4.7
264.07709	5.8
265.08588	40.3
265.12094	4.9
266.08987	3.4
267.10117	7.6
268.11029	1.7
269.08096	5.4
277.08530	3.5
278.09299	10.6
279.09979	3.0
282.08737	3.4
283.13318	3.6
284.10388	4.6
285.07431	2.3
293.11719	20.3
294.12219	1.8
295.09634	1.7
296.10379	2.1
297.11166	14.4
299.12836	8.3
310.12152	2.4
311.12723	71.1
312.13080	4.8
313.06912	2.5
319.38733	1.5
325.14185	8.8
343.11615	5.4
343.15335	37.6
344.15674	3.9
345.22159	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Obovatifol
Peak:m/z	Relative Intensity
55.01872	2.8
57.42422	1.4
61.76413	1.7
79.05480	4.9
80.64639	1.7
91.05463	14.3
93.07015	2.2
95.04938	5.3
95.08583	1.9
96.19485	1.5
102.04671	3.5
103.05460	18.8
105.07014	9.3
106.04166	5.2
107.04951	25.8
107.08551	2.4
109.06505	3.5
115.05452	8.4
117.07029	4.1
119.04931	3.0
120.05693	2.0
121.06500	4.9
122.07289	9.3
124.93149	1.7
130.04161	6.5
131.04942	12.0
133.06505	5.1
135.08038	5.2
137.05963	13.1
147.04404	8.5
149.06009	8.9
151.03886	2.6
161.05997	12.0
162.06735	14.1
163.07538	24.2
165.07010	3.3
173.09590	4.0
175.07570	11.7
177.05443	2.4
181.06401	2.3
181.08582	6.1
183.08142	2.4
189.06931	1.9
190.07748	3.3
193.06688	1.7
194.07265	4.9
205.06544	4.6
205.10103	5.1
207.08080	3.1
209.09631	2.4
218.07191	2.0
219.08252	2.5
219.10069	11.0
221.09541	2.1
222.06738	3.4
222.10393	2.2
233.05980	2.3
233.09608	5.7
235.07538	4.9
237.09119	3.2
250.09860	3.3
251.06949	3.7
252.08139	1.7
254.09506	2.2
261.09033	3.7
264.07721	2.5
265.08569	14.6
265.12244	2.8
267.10184	4.2
269.08127	3.5
278.09354	2.5
282.08771	4.3
283.09491	2.0
284.10318	5.2
293.11679	9.4
296.10406	2.1
297.11212	19.4
297.14886	5.4
310.11966	3.3
311.12747	100.0
312.13043	7.4
325.10822	1.9
325.14182	9.3
343.11618	9.5
343.15359	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	343.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05510	22.9
56.05021	3.7
57.03440	1.9
65.03899	1.1
67.05492	17.9
69.03401	2.5
69.07061	23.3
70.00036	3.0
71.04977	3.8
79.05477	10.8
81.07049	44.2
83.04984	4.6
83.06081	2.7
83.08617	19.7
84.04495	75.0
85.02895	8.0
85.06539	4.1
91.05469	10.9
93.07037	15.9
95.04978	2.2
95.08598	57.1
96.04490	4.9
97.06515	8.3
97.10145	6.0
98.05992	1.8
99.04471	1.2
99.08071	1.8
101.05975	1.1
102.05525	3.9
103.05460	1.4
105.07027	13.9
107.08577	9.0
109.06513	3.2
109.10143	7.2
110.25866	1.0
111.08060	3.9
117.07030	1.9
119.08566	20.0
121.10141	6.0
123.08047	4.7
125.09633	2.0
126.55367	1.0
127.07469	1.4
129.06956	1.6
130.04990	30.4
131.04956	1.5
131.08571	5.0
133.10126	12.5
135.08028	1.5
135.11667	10.7
137.05954	4.1
137.09605	2.1
137.13228	10.2
142.04990	1.5
143.08554	1.3
145.10109	3.0
147.11606	1.3
149.13225	1.6
151.07533	1.1
159.08084	1.7
159.11700	2.9
161.05948	2.6
161.13254	24.1
162.06334	1.1
163.07578	3.0
167.08606	1.1
175.07579	1.9
178.15977	1.8
179.14281	7.3
187.14760	2.7
189.09073	2.0
195.11665	1.2
196.16956	11.4
199.14865	1.3
214.17998	100.0
215.18367	4.2
234.18622	1.9
262.17972	15.0
265.08646	2.1
279.20609	6.5
280.19049	26.4
281.19257	1.5
284.10483	1.5
297.11185	2.3
307.20401	1.5
308.18414	2.4
311.12720	3.0
316.40421	1.1
325.21216	13.8
325.25122	3.1
326.19583	45.9
327.19943	3.8
343.11606	3.5
343.15689	2.2
343.22290	48.6
343.25964	2.3
344.22546	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.81916	6.2
55.05502	15.7
57.03426	15.3
57.07055	9.3
58.06589	6.7
59.04983	7.6
67.05491	21.9
69.03417	9.0
69.07047	9.7
71.04990	24.3
79.05482	23.7
81.07051	28.7
85.06526	8.4
91.05454	42.4
93.07036	68.3
95.04955	61.3
95.08593	80.0
97.06515	12.6
99.36986	7.4
105.07013	81.7
107.08568	57.7
109.06516	18.0
115.05379	10.9
115.07556	25.8
117.07039	31.3
119.08559	27.4
121.06488	17.7
121.10143	25.7
123.08071	36.4
129.07011	7.8
130.07806	15.7
131.08582	8.0
133.06482	9.5
133.10153	15.6
135.08043	24.2
135.11745	13.4
140.62105	6.5
143.08589	13.3
145.10098	100.0
147.08037	14.5
149.09550	11.6
151.07518	54.6
153.09016	7.5
157.10066	13.6
159.07968	9.6
161.09540	10.5
163.11182	72.4
165.09126	18.4
177.09245	6.6
189.12747	13.0
203.14220	9.0
221.15352	25.2
240.23254	17.4
256.26300	9.9
282.09006	10.6
299.09012	8.3
307.20438	7.2
313.06882	17.9
325.21628	10.8
343.11722	41.8
343.22717	99.1
344.31604	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	4.5
55.01865	5.8
55.05508	22.6
57.03434	9.7
57.07076	8.8
57.86914	1.7
59.04988	6.4
65.03951	2.6
67.05502	32.8
69.03430	9.6
69.07068	8.4
69.63261	1.6
71.04983	22.4
74.47492	1.4
77.03926	2.2
77.46642	1.5
79.05486	25.4
81.03403	3.5
81.06571	1.7
81.07048	31.9
82.69034	1.5
83.04967	5.7
85.06527	5.9
87.04533	1.7
87.75765	1.4
91.05469	38.1
93.06438	3.3
93.07041	81.6
95.04964	63.5
95.08598	88.4
96.05302	1.6
97.06528	17.0
98.23505	4.1
103.05410	1.8
105.04536	3.1
105.07021	91.0
106.07328	1.9
107.04946	3.6
107.08588	63.0
109.06509	19.6
109.10133	6.5
111.08121	2.6
115.05463	6.8
117.07004	30.8
119.04993	1.6
119.06015	1.7
119.08581	26.9
120.95722	1.5
121.06512	16.2
121.10142	21.1
123.08054	25.1
125.05975	4.9
126.41406	1.8
128.06207	3.1
129.07022	5.6
130.07765	17.6
131.08585	9.1
133.06476	6.4
133.10120	19.1
135.08046	31.8
135.11670	19.2
137.06015	2.7
137.09604	4.9
142.07805	2.4
143.08568	12.7
145.06558	2.9
145.10118	97.6
146.07231	2.7
146.10474	2.6
147.08035	17.4
147.11676	7.0
149.09636	8.0
149.54668	1.8
151.07532	57.0
153.09105	3.7
155.08568	2.9
156.09338	3.8
157.10085	11.1
159.08020	3.7
159.11710	8.2
161.09639	10.4
161.13213	5.2
163.11171	84.8
164.11540	2.9
165.09091	25.7
167.06953	1.8
167.08513	1.9
169.10063	3.9
171.11708	5.2
173.09625	6.7
173.13211	5.4
175.11156	4.0
175.14818	2.6
177.09088	7.1
179.07027	6.7
179.10646	3.2
181.10118	2.2
181.12294	3.3
183.11639	3.2
185.09587	2.6
185.13263	4.2
187.11142	5.3
189.09064	2.3
189.12711	15.8
191.10556	2.5
191.14273	3.2
193.10118	1.7
195.11682	3.2
197.13307	4.6
201.12706	2.2
203.14343	12.4
207.10188	4.6
207.13715	10.3
209.13275	5.8
209.15401	7.2
215.14380	3.5
217.12259	3.6
221.13234	2.0
221.15358	40.5
222.15868	2.0
225.12749	3.4
233.15282	2.4
241.15750	2.7
245.15472	2.4
255.17305	1.8
259.16882	2.7
263.16428	8.3
269.15335	4.3
281.15329	1.8
282.08902	1.7
286.19193	6.6
287.16467	3.7
287.19882	2.4
313.07037	3.7
325.21552	12.1
326.21759	2.6
343.11752	7.3
343.22659	100.0
344.22864	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.91640	2.5
53.03938	2.6
55.01845	3.4
55.05499	11.8
55.54417	2.2
57.03429	7.7
57.07063	7.1
59.04993	7.3
60.34718	2.3
63.02046	2.2
67.05496	23.6
69.03419	9.7
69.07063	7.3
71.04984	20.8
79.05473	20.2
81.03416	3.1
81.07050	28.7
83.04972	5.7
85.06528	4.9
89.06028	2.6
91.05475	31.6
93.07030	65.0
95.04961	56.7
95.05537	4.9
95.08596	68.8
97.06534	17.3
103.05434	2.4
105.04511	2.5
105.07019	71.0
107.04928	3.9
107.08583	50.1
109.06529	15.0
109.10145	3.6
111.08048	2.6
115.05421	5.8
117.07010	29.3
119.08571	25.2
121.06506	17.3
121.10124	13.9
123.08060	21.7
128.06326	3.0
129.06999	6.8
130.07765	14.4
131.08536	7.8
133.06458	6.1
133.10103	17.1
135.08044	29.3
135.11665	20.4
137.05971	2.6
137.09589	5.9
143.08553	10.6
145.10106	86.5
147.08018	12.6
147.11688	5.5
149.09645	7.4
151.07510	53.2
153.09085	6.4
155.08521	4.5
156.09373	2.8
157.10136	7.3
159.11670	7.9
161.09579	11.7
161.13239	5.4
163.11165	86.1
165.09087	27.5
169.10153	3.8
171.11693	7.2
173.09610	5.3
173.13242	3.1
175.11188	5.6
177.09097	5.1
179.07039	7.8
179.10484	2.6
181.10146	2.7
181.12157	4.1
183.11603	3.9
186.88162	2.3
187.11220	4.0
189.12709	14.5
191.14304	3.9
197.13330	2.9
203.14268	6.6
207.10120	4.8
207.13777	6.6
209.15327	5.4
213.12869	3.0
215.14268	3.9
217.12236	3.9
221.15359	37.8
228.85240	2.4
233.15445	5.9
243.13795	2.8
251.14244	3.6
263.16425	10.0
269.15283	5.6
282.55487	2.8
286.19260	3.2
287.20050	3.9
299.19760	2.8
307.20425	2.8
325.21494	12.7
343.11765	6.5
343.22650	100.0
344.22888	9.0
344.31564	4.3
362.72272	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	344.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
61.02921	1.4
64.09380	0.9
65.03926	0.9
69.03414	5.5
70.06572	4.5
71.42891	1.2
79.05515	1.2
81.03403	3.0
82.51687	1.1
84.04501	2.4
85.02898	13.5
86.09713	1.3
89.03910	7.5
91.05452	5.3
95.04959	1.5
97.02875	3.7
99.04442	1.2
100.85970	1.0
107.04941	2.4
109.02832	1.4
117.03357	10.4
119.04920	16.2
123.04446	1.9
127.03923	2.5
130.04903	1.0
135.04399	24.0
135.05356	1.9
137.05975	3.1
145.02844	13.2
145.04930	2.9
147.04391	74.2
148.04791	1.7
161.05821	1.1
163.03885	100.0
163.85197	1.0
164.01642	5.3
164.04251	3.2
164.07001	2.2
165.05455	34.7
166.05832	1.2
180.08676	1.3
182.02698	5.6
182.08066	1.4
182.11751	1.3
184.09718	1.6
201.04623	1.0
201.12245	2.3
202.12714	1.7
223.64189	1.2
288.14566	1.1
344.13898	6.4
345.02411	1.5
345.15179	5.3
362.53754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89374	0.5
53.03940	0.7
55.01853	0.9
57.03424	1.1
61.02907	1.8
61.14011	0.5
69.03416	4.1
73.02920	0.9
81.03396	1.1
85.02896	16.4
91.03951	0.5
91.05467	5.9
95.69751	0.4
95.94460	0.5
97.02888	3.7
99.04415	0.9
109.02856	1.7
119.04932	19.1
120.05253	0.5
122.89626	0.4
123.04404	1.6
127.03906	3.8
137.05952	1.1
145.04897	3.5
147.04388	100.0
148.04720	3.6
163.05734	0.6
165.05458	53.3
166.05797	1.5
171.04395	0.5
171.28418	0.5
180.08670	1.4
182.08046	0.6
227.03339	0.7
299.01813	1.1
301.03470	0.7
330.49460	0.6
345.02405	2.4
345.11517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
57.03431	1.8
59.04995	54.6
61.02910	3.1
62.02904	1.1
63.44567	1.1
69.03424	6.8
77.06032	3.7
81.03413	3.3
84.04490	6.7
85.02898	14.9
85.04835	1.8
88.79398	1.2
89.06026	18.6
92.01590	1.1
97.02865	3.5
99.04474	2.0
100.35420	1.3
103.07569	61.3
104.07896	1.2
109.02879	2.1
113.75797	1.2
114.05508	2.3
115.05820	1.6
121.08644	1.6
127.03902	3.6
127.41712	1.3
130.04988	7.3
131.05351	1.5
133.08612	8.5
137.05966	8.8
138.09148	1.5
139.09486	1.3
142.04961	1.8
143.05328	1.5
145.04916	2.4
147.10176	1.2
150.27727	1.1
163.03894	4.4
164.07080	3.8
165.11209	100.0
166.11534	3.4
184.09630	4.7
185.10013	5.6
201.12334	9.9
202.12683	11.9
236.37930	1.2
344.13376	4.5
345.15332	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	14.2
69.07068	28.0
69.17204	60.2
79.05495	22.6
81.03425	9.4
81.07058	20.4
82.14542	8.7
84.00145	8.6
90.71594	9.3
91.05485	14.8
93.07039	12.4
95.04957	23.3
97.06522	71.8
104.99259	100.0
107.08611	9.9
120.91711	9.4
121.10162	10.4
131.08507	12.4
131.20706	9.7
173.55707	12.2
262.98181	58.1
349.06885	10.5
366.69736	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	25.3
69.07066	27.6
79.05511	22.4
80.07290	11.3
81.07054	40.1
90.37183	10.2
91.05423	9.9
91.64201	9.8
93.07040	16.5
95.04952	18.3
95.15832	15.1
97.06511	29.5
97.07675	12.0
104.99277	100.0
107.08569	12.6
109.06535	14.2
115.07602	18.2
118.76722	11.1
123.11771	10.8
135.11606	11.7
142.85822	13.0
160.05315	11.5
167.61105	10.8
175.11378	11.3
262.98129	70.1
285.07300	12.3
286.07974	16.2
314.07309	43.3
344.12003	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	6.2
69.48060	0.9
69.48403	2.0
72.68568	0.4
77.53514	0.6
98.97571	18.3
99.39869	0.5
116.98611	11.8
119.01910	1.9
120.97908	0.8
134.99658	4.2
136.10703	0.5
140.98912	0.5
154.21411	0.5
158.99829	1.6
160.04507	0.6
177.00941	11.7
178.01064	1.2
182.99895	1.8
201.00919	7.8
202.01041	0.7
216.98923	1.3
219.01979	100.0
220.02110	11.3
232.96556	0.6
235.00011	1.9
238.95447	2.5
240.98885	1.2
242.03519	3.4
254.93166	0.8
256.96545	9.1
257.96802	1.3
258.99936	6.2
260.00107	1.7
260.99808	1.2
261.02982	1.0
263.02719	1.0
270.91086	1.0
273.02945	0.5
274.97516	4.4
277.00940	4.7
278.01035	1.5
278.97311	0.7
279.00601	0.7
279.98129	1.8
280.96643	2.2
282.99951	11.9
284.00098	2.3
284.99844	1.2
288.92062	1.0
292.98529	1.7
298.97656	36.1
299.97852	3.7
300.97662	1.2
301.01019	14.9
302.01187	2.9
302.97449	0.6
303.00931	1.8
309.95197	0.7
318.94934	2.1
319.44983	1.4
321.99182	4.3
339.88342	0.6
340.89658	0.6
345.01926	1.3
348.88861	1.6
357.96808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.5
67.41004	0.2
68.99752	0.3
69.03399	0.3
72.08096	0.7
79.05443	0.4
81.06991	0.5
81.28802	0.2
84.04462	0.3
85.02878	1.4
91.05413	0.7
93.07008	0.3
95.04912	0.3
97.02840	0.4
103.05439	1.7
105.06967	0.7
107.05001	0.3
109.02782	0.3
109.06436	0.3
112.02152	0.3
115.05440	6.8
117.06957	0.3
119.04910	0.4
121.06434	0.9
127.03923	0.3
127.05406	0.4
130.04965	0.4
131.04901	3.7
132.33226	0.3
133.06395	0.9
137.05963	2.1
137.09566	0.4
143.04904	4.3
145.02765	0.4
145.04897	0.4
145.06395	0.5
147.04356	0.8
149.05936	0.6
153.03284	1.0
155.04906	1.9
155.05986	0.4
159.04391	4.3
161.05965	1.9
163.03821	0.5
164.77953	0.3
167.07043	0.3
168.67653	0.3
169.02776	0.8
171.04396	14.2
172.04724	0.6
173.02251	0.5
175.03836	0.6
177.01782	0.5
177.05464	1.8
181.02757	1.8
183.04335	1.0
185.02373	0.3
187.03865	9.4
188.04218	0.4
189.01721	0.3
189.05458	2.7
191.03293	0.4
197.02307	1.3
199.03877	16.5
200.04274	0.7
203.03320	0.5
205.04938	2.1
209.02324	3.1
211.03831	2.5
213.01802	0.3
215.03366	13.1
216.03780	0.8
217.04910	3.3
219.02812	0.3
225.01781	1.4
227.03357	14.6
228.03636	1.0
229.04866	1.0
229.21899	0.3
232.03606	0.3
233.04416	2.4
237.01875	2.3
239.03325	1.7
242.02011	0.4
243.02869	17.5
244.03328	1.0
245.04396	4.1
253.01228	0.9
255.02852	17.0
256.03284	0.7
259.02402	0.3
261.03888	2.9
265.01282	0.7
271.02344	19.2
272.02722	0.9
273.03897	12.3
274.04330	0.6
281.00677	0.8
283.02332	9.5
284.02750	0.8
289.03387	6.9
290.03943	0.3
297.00443	0.3
298.00919	0.3
299.01813	37.2
300.02234	2.4
301.03375	36.9
302.00500	1.0
302.03757	2.1
315.01254	0.7
316.02094	1.1
317.02866	7.8
318.03259	0.6
327.01306	13.4
327.13010	0.3
328.01633	1.0
345.02362	100.0
345.14673	2.1
346.02707	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	345.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.03434	0.5
68.99787	0.3
69.03432	0.7
71.42685	0.3
72.08139	0.7
77.03925	0.3
79.05478	0.6
81.03422	0.4
81.07050	0.5
83.03008	0.3
85.02913	1.5
85.06535	0.3
85.74497	0.3
86.09745	0.3
91.05480	0.7
93.07012	0.5
95.04961	0.7
97.02847	0.4
99.04453	0.3
103.05441	2.2
105.07037	0.9
107.04979	0.3
107.57237	0.3
109.02867	0.4
115.05441	6.3
117.07010	0.3
119.04929	0.4
119.08540	0.3
121.06466	0.8
131.04906	2.9
133.06493	0.4
135.04388	0.4
137.05963	2.6
137.09584	0.6
143.04900	3.9
145.02928	0.4
145.06506	0.4
147.04401	0.8
149.05960	0.6
153.01889	0.3
153.03384	0.9
155.04910	1.3
155.06023	0.7
159.04390	4.8
161.05962	1.5
163.03934	0.3
165.09096	0.7
169.02844	0.4
171.02139	0.5
171.04391	13.3
172.04735	0.3
173.02354	0.3
174.34288	0.3
175.03825	0.4
177.01833	0.6
177.05453	2.0
181.02838	1.8
183.04434	1.0
186.02255	0.4
187.03867	9.3
189.05437	2.2
191.03378	0.5
197.02240	1.4
199.03870	15.6
200.04289	0.7
203.03427	0.4
205.05019	2.3
209.02286	2.6
211.03918	2.3
213.01750	0.3
215.03357	13.1
216.03746	0.6
217.04964	3.2
225.01762	1.7
227.03360	14.6
228.03754	0.8
229.04967	1.1
231.02844	0.5
233.04430	2.0
237.01775	2.2
239.03357	1.3
241.01266	0.4
243.02850	17.4
244.03232	0.7
245.04393	4.9
253.01297	1.2
254.01863	0.4
255.02844	15.3
256.03311	1.0
259.02396	0.4
261.03812	3.3
265.01196	0.4
270.01505	0.4
271.02338	19.7
272.02689	0.7
273.03894	11.2
274.04272	0.8
281.00732	0.8
283.02310	11.0
284.02698	0.6
288.02365	0.5
289.03400	6.5
290.03796	0.3
298.01080	0.4
299.01813	36.2
300.02246	2.3
301.03366	34.1
302.00500	0.8
302.03760	1.8
316.02380	1.3
317.02847	7.7
327.01315	13.1
328.01547	0.7
345.02356	100.0
345.14813	3.2
346.02676	5.5
354.94977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0604
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
57.07011	0.4
60.99455	0.4
81.07034	0.7
91.05505	0.7
92.14706	0.4
93.07047	0.6
95.08588	1.0
98.23419	1.0
103.05435	0.7
105.07073	0.5
107.08596	0.5
109.10130	0.5
115.05458	0.9
116.07079	0.4
117.07014	0.7
120.96364	0.4
129.06953	0.5
131.04950	1.1
133.10130	0.5
137.05969	3.3
137.09645	0.8
143.04936	0.6
143.08528	0.6
145.06482	1.0
145.10118	0.8
147.04366	0.6
147.11661	0.5
149.09610	1.4
151.07484	0.6
163.07544	1.2
165.09003	0.4
169.02815	0.6
171.04420	1.3
173.05986	1.2
173.09662	0.9
175.03929	1.0
177.09111	3.1
186.03181	1.2
187.03912	1.2
190.06149	0.5
197.02284	0.6
198.03038	0.6
199.03883	1.8
201.05504	3.1
203.03398	2.2
213.01834	0.6
213.05322	0.5
214.02602	3.4
215.03426	1.9
225.01909	0.5
227.03419	0.7
227.07082	0.7
228.04118	0.9
229.04947	3.5
231.02888	4.6
241.01300	2.9
242.02069	5.6
243.02855	1.3
246.05128	0.7
256.03638	1.7
257.04523	0.9
259.02374	5.0
267.17514	0.5
269.00870	3.6
270.01614	4.3
271.02374	3.0
272.02737	0.4
274.04718	1.5
284.03116	1.5
284.17636	0.6
285.03912	11.9
286.00998	1.3
286.04489	1.3
287.01843	10.2
288.02350	0.8
297.00323	1.5
299.01868	6.2
299.09177	0.6
300.02469	0.5
301.03473	2.6
302.04147	0.9
302.18701	2.8
309.18500	0.5
312.02615	2.0
313.03391	33.8
314.04111	10.4
315.01321	23.2
316.01733	2.0
327.12262	0.7
327.19504	1.2
329.02921	3.7
330.03659	37.6
331.03934	2.7
345.06033	100.0
345.20282	3.7
346.06351	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0817
Annotation	Theogallin
Peak:m/z	Relative Intensity
51.02370	0.8
51.40492	0.3
55.05502	0.4
55.88117	0.3
58.14468	0.3
65.03925	0.4
67.02165	0.3
67.05490	0.5
67.99031	0.4
69.03400	0.6
70.30770	0.4
70.31097	0.5
79.01849	4.6
79.10629	0.3
79.80572	0.4
81.03413	1.0
83.04990	1.6
85.02894	0.4
90.81086	0.3
93.03416	0.4
97.02888	1.0
107.01344	2.1
109.02884	1.6
111.04430	1.2
125.02346	3.6
127.03882	1.8
129.05492	0.7
139.03951	0.7
143.03384	6.6
143.04430	0.6
145.22061	0.3
153.01817	100.0
153.02885	5.6
154.02161	2.3
169.09492	0.3
171.02864	1.7
171.04260	0.3
171.05849	0.3
171.10999	0.3
173.07799	0.4
177.00934	0.9
201.00859	0.5
206.56361	0.3
215.02409	0.3
215.09940	0.4
216.96860	0.4
219.01984	1.8
223.91444	0.3
237.92882	0.3
243.02008	3.0
255.02078	1.2
261.03003	1.4
273.03223	0.6
288.65787	0.3
303.00711	0.4
327.07047	0.8
327.11017	0.4
345.02145	0.5
345.12775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1153
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
51.45538	0.6
71.89934	0.6
74.96078	0.6
79.81814	0.6
89.06025	1.5
127.00056	0.9
137.05978	2.5
144.20990	0.6
167.03111	1.0
167.13417	0.6
213.96219	0.7
227.05296	1.1
236.17310	0.6
259.11539	2.9
271.04248	2.1
301.03421	0.9
301.12561	18.7
302.12808	1.1
328.20831	0.6
333.13965	0.7
345.02502	2.2
345.11526	100.0
346.11838	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	345.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87711	1.0
55.31437	1.1
56.05041	2.0
58.88873	1.0
59.67171	1.3
70.06572	1.7
72.08147	2.1
83.06088	2.1
86.03524	3.2
86.09575	1.1
91.05476	1.2
94.04165	1.1
95.06091	1.7
98.22742	1.4
98.23402	1.2
104.99263	2.0
105.05781	3.8
105.57174	1.0
106.06610	1.2
111.05571	4.3
120.04465	5.0
121.06436	1.1
122.03634	2.8
125.05922	1.2
126.06628	2.5
132.04448	30.3
132.05371	1.9
134.05984	6.8
137.04747	1.5
137.05969	27.9
150.05528	2.9
151.06123	14.5
153.01819	9.7
177.04074	1.4
194.06778	3.9
195.07663	1.1
202.09735	2.2
203.08296	2.0
230.09319	2.4
231.07652	1.3
232.10767	2.9
242.09207	4.7
257.10355	5.7
259.11923	13.0
265.08502	1.1
284.11337	5.4
284.24463	1.1
302.12439	23.1
303.12753	1.4
327.11926	2.3
345.12671	100.0
346.12961	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	345.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.9
61.76922	5.1
65.03939	9.9
67.05453	5.1
68.02627	5.5
68.99780	4.5
70.08817	12.5
73.05438	4.9
73.70406	4.3
79.05466	8.8
81.07035	13.3
82.34485	4.9
83.04997	5.7
87.80869	4.4
91.05479	23.2
93.03366	5.2
93.07029	11.0
94.63421	5.1
95.04939	5.8
95.08614	14.4
95.85667	4.1
96.02094	10.7
97.06503	11.2
103.05446	13.8
104.99232	36.5
105.07007	16.3
107.04942	6.9
107.08580	9.9
109.10166	4.9
111.04432	41.2
111.08043	7.8
115.05445	7.6
117.07015	6.4
119.08566	5.5
121.06454	6.9
122.03600	8.2
123.04349	5.8
128.06184	6.5
129.07016	6.6
131.04912	28.7
131.08537	10.9
133.02827	19.9
133.10133	5.6
135.08044	5.5
137.05952	100.0
138.06316	5.5
139.03856	14.8
139.57591	4.4
143.04854	5.4
143.08519	12.1
145.10182	6.6
147.04338	8.4
147.08040	5.3
147.11598	5.7
151.03871	15.6
153.06969	6.3
155.08533	7.1
157.10098	4.8
161.05951	11.4
162.06622	6.1
163.07588	13.2
165.05486	7.7
165.06940	11.3
165.12825	4.8
167.06990	11.7
167.08406	8.7
169.06371	7.8
171.11685	12.7
175.07507	20.3
175.11179	5.2
177.05492	5.5
178.07777	12.3
179.08513	14.6
180.05617	8.2
181.06393	26.6
182.07210	7.8
183.07970	10.8
185.05902	9.6
189.12686	6.3
191.06964	14.7
193.06476	5.5
193.08470	6.0
194.07210	6.7
195.08032	15.7
196.05132	6.2
197.05948	17.1
197.09558	8.7
198.06767	13.4
199.07410	6.4
203.06941	10.6
205.06512	10.3
206.07281	5.8
207.07928	15.9
209.05983	10.0
210.06796	15.3
211.07513	24.9
212.08278	18.3
213.09155	6.2
215.14236	6.3
217.06328	4.7
217.15744	10.1
219.08070	6.0
221.06033	6.5
223.07498	20.0
224.08211	7.0
225.05418	17.6
225.09070	15.9
226.06189	12.1
227.07036	8.3
228.07947	5.0
234.06693	13.4
235.07614	24.3
237.05367	10.2
237.09061	11.2
238.06133	9.8
238.09761	11.3
239.07050	31.6
239.10587	14.1
241.04828	4.9
241.08553	14.6
243.06497	13.9
249.09071	15.1
251.07100	22.7
252.07779	18.8
253.04919	6.5
253.08571	56.2
255.06424	11.6
256.07080	11.7
256.10895	12.4
259.09619	13.6
262.06171	4.9
262.98154	19.7
263.06924	19.9
265.08633	9.7
266.09274	5.2
267.06503	15.8
267.10095	42.3
268.07291	7.0
269.08026	54.5
270.08676	4.9
271.05847	17.5
277.08557	18.4
280.07510	6.5
281.08081	76.8
281.11304	6.1
282.08258	7.0
283.06192	8.5
283.09418	7.1
284.06674	8.3
285.07361	5.1
285.11099	9.8
286.08234	19.0
289.14218	7.4
295.09589	51.6
296.09891	4.9
299.09048	37.9
299.12579	11.3
309.21866	8.4
312.09949	21.1
313.10699	41.7
327.12061	13.5
327.23083	11.6
345.13297	62.9
345.24210	25.1
368.70316	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	345.1329
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03936	1.6
65.03922	6.8
69.35317	1.3
70.46979	1.3
72.70389	1.2
80.02632	1.7
81.03407	2.2
91.05492	2.0
92.17098	1.4
93.03392	3.4
95.04920	1.5
96.02094	6.4
101.24301	1.4
104.06271	1.3
104.99239	2.2
105.10899	1.3
107.01335	2.8
108.93858	1.3
111.04432	28.3
112.76276	1.4
115.05432	2.0
123.04385	2.6
128.06223	1.7
129.06996	5.1
131.04897	2.2
137.05980	4.7
139.03874	15.8
139.05431	1.8
141.06996	2.3
141.56006	1.4
144.05670	3.2
145.06454	6.4
147.04404	2.1
147.08064	1.6
152.06108	1.6
153.05447	1.5
153.06953	5.6
155.08598	2.8
157.06474	5.0
159.08058	6.0
160.08807	5.8
161.05951	5.1
161.09596	3.1
165.07002	5.6
166.07866	1.8
167.03416	4.7
167.08607	4.1
168.05682	4.8
169.06487	4.3
170.07162	2.5
171.07993	3.4
172.08762	1.4
173.05983	1.7
175.07484	2.1
178.07771	5.7
179.08490	7.6
181.06416	9.0
182.07236	4.1
183.04388	1.9
183.08064	3.3
184.08780	1.6
185.05939	6.8
185.09601	2.8
187.07487	5.4
188.08284	8.5
189.07169	1.4
189.09076	1.7
193.06467	2.3
195.08041	7.8
196.05171	4.6
196.08795	4.0
197.05992	5.5
197.09607	3.3
198.06709	21.7
199.07512	3.7
200.08344	3.6
205.06609	2.3
206.07268	4.2
206.09225	2.0
207.08023	9.0
207.09656	1.4
208.08710	3.2
209.05934	5.9
209.09593	2.0
210.06784	6.8
211.07518	12.7
211.11189	3.7
212.08322	1.8
213.05438	10.2
213.09125	5.0
215.06882	2.9
221.09641	5.1
222.06918	1.6
222.10196	1.6
223.07532	7.2
224.04755	3.4
224.08270	8.0
225.05467	2.6
225.09041	4.3
226.06253	8.9
227.06976	7.5
227.10660	2.3
228.07765	5.3
234.06642	2.1
235.07491	5.3
236.08220	4.3
237.05428	2.5
237.09120	4.1
238.06255	3.8
238.09816	10.8
239.06990	25.3
239.10616	13.6
240.07764	11.6
241.04941	5.7
241.08517	14.8
243.06474	13.0
243.10202	2.3
249.09097	5.9
251.06964	4.1
252.04140	1.9
252.07791	5.4
253.04985	3.4
253.08539	11.7
253.12152	4.9
254.05659	2.8
255.06471	5.3
255.10300	1.3
256.07278	20.8
256.10828	2.3
257.07849	2.2
258.08807	1.9
262.98199	1.6
265.08661	2.3
266.05743	1.7
267.06638	5.7
267.10144	29.4
268.07294	22.9
268.10687	4.3
269.05020	2.3
269.08017	33.7
270.08572	2.4
271.05667	1.4
271.09677	7.3
271.13229	9.0
281.08011	5.4
281.11621	4.4
283.05804	2.2
284.06705	5.0
284.10400	11.2
285.11111	3.6
286.08337	6.9
287.09018	3.4
295.09549	9.4
296.10391	13.1
299.09164	100.0
299.12668	18.1
300.09415	5.6
300.12933	1.6
309.11148	3.1
312.09988	2.0
313.10645	20.3
315.12073	1.5
317.13852	2.3
327.12225	66.0
328.12585	4.9
345.06393	1.6
345.13269	42.3
346.13495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03934	1.4
55.01863	1.8
55.05490	2.8
56.96563	1.0
58.54154	0.8
65.03939	6.2
67.05499	4.1
68.02626	1.4
69.03421	1.9
69.07053	3.7
69.83308	1.0
69.83637	2.5
79.05492	1.5
81.03419	2.3
81.07044	6.0
85.02911	2.4
85.06506	1.4
91.05462	3.7
93.03384	2.1
93.07055	2.2
95.04957	1.5
95.08592	6.3
96.02094	6.2
97.06535	1.2
98.84952	1.0
99.04424	1.2
103.05439	1.4
105.07034	2.0
107.00633	0.9
107.01299	4.0
107.08579	1.3
109.02870	1.1
109.10135	3.0
111.03657	1.5
111.04432	26.7
112.04775	1.7
115.05437	2.9
117.07005	3.0
119.04843	1.1
119.08523	1.6
121.06480	2.4
121.10146	1.2
122.09636	6.2
123.04386	2.5
123.11752	1.1
125.05957	1.3
128.06180	1.8
129.06998	4.8
131.04909	3.8
135.08067	1.3
137.02287	1.0
137.05968	8.9
137.09607	3.5
139.03877	17.1
140.06242	1.7
141.06961	2.8
144.05672	2.8
145.06453	5.4
145.10085	1.3
146.07327	1.0
147.07988	1.5
149.13310	1.2
151.03885	1.0
151.07544	1.9
152.06230	1.8
153.05630	0.9
153.06976	5.7
154.07780	1.3
155.04886	2.3
155.08531	2.1
157.06477	5.5
159.08035	6.8
160.08844	5.0
161.05954	7.0
161.09500	2.4
163.07497	3.2
165.07007	4.8
165.09045	2.2
167.03398	5.5
167.08554	3.0
168.05652	5.2
169.06503	6.3
170.07172	2.0
171.07999	2.1
173.06001	2.1
175.07530	2.1
177.06860	1.2
177.09093	11.2
178.07779	4.3
179.08560	7.6
180.05635	1.1
181.06505	7.9
181.10022	1.4
182.07205	2.6
183.04343	1.4
183.08080	4.8
184.08513	1.2
185.05919	5.7
185.09608	3.2
187.07526	4.1
188.08299	8.2
189.09030	2.5
190.07664	1.6
195.08038	7.5
196.05173	4.5
196.08836	5.5
197.05910	4.3
197.09561	3.4
198.06702	17.4
199.07472	3.7
200.08260	3.1
201.09166	1.2
206.07277	2.5
207.08064	8.2
208.08693	2.7
209.05907	5.9
209.09451	1.5
210.06868	4.7
211.07509	14.5
211.11041	4.8
212.08220	1.5
213.05441	9.4
213.09042	4.1
215.06992	2.2
221.09560	4.6
223.07463	7.0
224.04652	3.1
224.08253	7.3
225.05327	3.1
225.09100	4.4
226.06215	7.9
227.06992	5.2
227.10661	1.4
228.07758	4.3
234.06735	1.5
235.07503	5.2
236.08195	1.9
237.05478	2.4
237.09077	3.6
238.06102	2.7
238.09816	10.5
239.06995	25.3
239.10611	16.1
240.07785	11.2
241.04994	6.5
241.08563	16.7
242.05502	1.2
242.09114	1.6
243.06491	13.4
243.10257	1.3
249.09122	4.2
250.09695	1.5
251.06987	3.4
252.04033	2.2
252.07655	5.6
253.04974	2.5
253.08502	11.2
253.12178	4.6
254.05786	2.7
255.06516	4.5
255.10127	1.7
256.07263	18.7
256.10965	2.0
257.07809	2.9
258.08878	1.3
263.06918	1.1
265.08606	2.1
266.09326	3.1
267.06519	5.0
267.10092	34.9
267.17490	1.3
268.07263	22.7
268.10681	4.8
269.04944	1.9
269.08017	30.0
270.08566	2.8
271.06577	1.7
271.09647	6.6
271.13098	6.5
273.15894	1.5
281.07999	4.0
281.11679	5.1
283.09595	2.0
284.06824	3.6
284.10342	9.1
285.11032	3.4
286.08240	7.1
295.09540	11.4
296.10355	13.1
297.11002	1.2
299.09073	100.0
299.12665	22.3
300.09442	6.6
300.12787	1.9
304.09595	1.1
309.11017	2.5
312.09909	2.6
313.10638	23.8
314.11047	1.7
317.13699	2.1
327.12207	79.7
328.12476	3.4
330.03467	1.8
345.06076	2.6
345.13257	40.2
345.20517	2.9
345.24255	1.2
346.13190	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
54.92995	1.1
55.01875	1.7
65.03918	1.3
67.05496	3.4
69.03409	1.7
71.04979	1.7
75.51122	1.2
79.05495	2.9
81.03396	2.8
81.07043	3.9
81.93204	1.1
83.15048	1.3
85.02928	1.1
91.05482	5.4
93.07036	2.7
94.04185	1.6
95.04974	2.9
95.08609	1.7
97.02873	1.2
99.08118	1.6
100.54748	1.1
103.05460	3.9
105.07024	3.8
107.04956	2.1
109.06490	2.4
109.10157	6.5
111.04395	2.8
115.05466	2.6
117.07034	1.6
119.08581	1.7
120.82485	1.1
121.06496	4.1
122.03630	3.1
123.04436	2.2
124.98005	1.1
125.06044	1.4
127.03899	1.6
131.04897	2.8
133.06459	1.8
137.05971	44.7
137.09593	11.7
141.06993	1.1
143.04939	3.1
146.03616	4.4
149.05968	4.8
151.03934	2.2
151.07523	9.1
153.05486	4.6
153.06854	1.6
154.07692	1.5
155.08583	1.2
160.05241	2.0
161.05965	28.4
163.07515	2.8
165.06982	14.1
165.09084	10.4
167.07059	4.1
167.08484	1.4
169.10115	1.5
173.09682	1.7
175.07518	5.5
177.05472	1.6
178.07634	2.1
179.07089	2.5
179.08540	5.2
181.06512	5.5
182.07249	7.8
183.07910	1.9
188.04678	7.1
191.07033	2.5
193.06487	17.3
193.08568	3.3
194.07253	2.0
195.08022	3.1
195.10049	1.6
197.09581	2.0
199.07613	1.7
203.06998	12.5
205.08540	2.4
206.07280	1.5
207.08066	6.8
208.08755	1.4
209.06082	2.1
210.06738	14.3
211.07513	5.4
221.05984	23.6
221.08003	2.3
222.06577	2.5
223.07437	2.7
224.08322	6.5
225.09090	27.8
226.09555	2.1
227.06978	5.9
234.06648	3.2
235.07523	7.1
237.05470	2.5
238.06224	14.5
239.06920	4.3
239.10764	3.1
240.08006	1.5
241.08479	2.4
242.09291	1.9
249.09143	5.2
251.07040	3.1
252.07837	6.9
253.08575	49.4
254.09074	3.3
255.06529	3.2
261.78378	1.2
262.06400	2.1
263.07001	2.9
265.08502	1.2
266.09348	2.5
267.10104	18.9
269.08133	2.2
270.08807	7.9
277.08676	8.8
280.07346	1.8
281.07935	1.2
284.10220	1.3
285.11182	100.0
286.11453	6.1
294.08728	2.9
295.09650	13.1
296.10297	2.1
299.12790	3.4
309.11182	13.8
309.18723	1.6
312.09924	3.0
327.12213	63.4
328.12567	3.7
345.13309	13.2
345.16864	1.7
345.20541	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53215	0.9
53.03942	1.8
55.05486	0.9
65.03903	0.9
67.05499	4.6
69.03425	23.6
69.07074	1.4
70.06580	0.9
71.05000	2.0
79.05497	2.2
81.03436	1.6
81.07050	4.9
83.04959	2.2
85.02910	1.3
86.09706	7.6
87.04474	4.4
87.10037	1.0
91.05478	3.7
91.22111	0.9
93.07043	2.3
93.26791	0.8
94.04185	2.0
95.04966	11.3
95.08605	14.4
100.68447	0.9
103.05474	1.0
105.07024	2.0
107.04997	1.1
107.08598	1.7
109.02870	13.3
109.06514	8.9
109.10130	2.0
111.04423	0.9
115.05462	1.6
117.07119	0.9
119.01646	2.8
119.04912	0.9
119.08560	2.8
121.06525	4.0
122.03627	6.2
123.04401	2.2
123.08051	7.3
125.05996	1.2
125.09639	1.7
129.07005	1.2
131.04907	1.1
133.10147	1.4
135.01118	1.1
137.05969	80.1
137.09567	4.9
138.06276	2.6
139.11203	0.9
143.04939	1.4
147.08035	9.0
149.05965	2.1
149.09721	1.2
151.07535	100.0
152.07903	2.1
153.01810	1.5
153.05449	1.4
159.04407	0.8
160.05226	1.0
161.02686	3.6
161.05954	6.3
161.09634	3.0
163.07564	1.1
163.11237	0.9
165.07011	2.8
165.09125	3.4
165.12790	3.8
175.07549	1.9
177.05484	0.8
177.09052	1.9
178.07854	1.0
179.03712	2.1
179.08588	1.6
182.07237	1.1
187.14392	5.1
189.12820	1.9
191.07027	3.9
193.06506	2.0
195.08081	1.4
199.18027	1.1
203.06985	2.1
206.07292	1.2
207.03220	11.7
207.08125	2.1
207.13794	62.8
208.14133	2.0
210.06750	3.3
221.05972	3.1
224.08298	1.6
225.09058	4.7
234.06857	1.4
235.07558	1.5
237.09135	1.7
238.06271	2.2
239.10506	0.9
249.09021	1.6
252.07739	1.0
253.08524	7.1
265.08652	1.5
267.10034	4.1
277.08551	2.7
285.11212	14.9
286.11642	1.0
295.09610	1.0
297.11136	1.7
299.01910	1.1
299.12772	1.1
309.11166	6.2
327.12122	8.1
345.02176	2.5
345.09637	1.8
345.14087	7.1
345.20425	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
67.05481	3.5
69.03419	23.2
69.07071	0.8
70.66922	1.5
71.04990	2.0
72.54240	0.9
74.06052	1.2
79.05469	2.3
81.03398	1.7
81.07045	4.9
83.04971	1.8
86.09696	9.0
87.04465	5.1
91.05460	2.9
93.07036	2.1
94.04169	2.5
95.04964	11.1
95.08593	15.7
97.02853	0.7
101.07142	1.1
103.05450	2.0
105.07016	1.6
107.04940	1.5
109.02853	13.8
109.06498	9.7
109.10156	3.0
111.04411	1.5
115.05448	1.4
117.00047	1.5
119.01642	2.8
119.08543	2.4
121.06504	4.3
121.10078	1.5
122.03603	4.5
123.04411	3.4
123.08070	6.3
125.09615	1.3
131.04944	2.5
133.06476	0.9
133.10112	1.2
137.05957	65.6
137.09564	2.8
137.26651	0.8
138.06306	2.1
139.11209	1.5
143.01628	1.0
143.04872	2.2
145.06483	1.1
147.04417	1.0
147.08037	8.8
147.11705	1.1
149.05963	3.2
151.07516	100.0
152.07819	4.2
153.01788	1.7
160.05205	1.0
160.09001	0.9
161.02666	3.2
161.05957	5.3
161.09599	3.2
163.07593	1.2
165.05615	0.8
165.06987	2.8
165.09091	3.9
165.12737	3.6
167.07077	1.0
175.07588	2.0
177.09055	2.3
179.03738	2.3
179.07060	1.0
179.08533	1.1
181.06438	0.9
182.07169	1.0
187.14421	3.3
189.12686	1.7
191.07062	2.2
193.06435	2.8
195.08081	1.4
199.18024	0.9
203.07043	3.4
207.03160	10.5
207.07964	1.9
207.13780	60.0
208.14070	2.3
210.06682	2.4
211.07230	1.0
221.05997	3.6
221.08093	1.2
224.08257	1.2
225.08992	3.9
234.06717	1.1
235.07463	1.1
237.08939	1.5
238.06305	1.9
239.10577	1.2
249.09047	1.2
252.07973	1.3
253.08571	7.9
265.08557	1.8
267.10132	3.7
270.08865	2.2
277.08545	2.5
285.11127	12.0
286.11575	1.3
294.08856	1.1
295.09601	1.3
297.11258	1.4
299.01944	1.0
299.12540	1.1
309.11249	4.5
327.05103	0.9
327.12262	6.1
345.02386	2.6
345.09622	1.6
345.13968	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	345.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.9
69.03422	1.0
70.71587	0.9
79.05466	0.9
81.07037	1.0
84.04498	1.0
85.02898	0.8
91.05450	2.0
94.04163	2.7
95.05003	0.8
107.04923	1.4
109.06495	1.1
111.04495	0.8
115.05441	1.1
118.07415	0.7
122.03629	7.3
125.05975	0.8
131.04945	1.2
132.04428	0.9
133.02844	0.8
135.04385	0.7
137.05959	90.9
138.06311	2.4
140.17192	0.7
147.04431	0.6
149.05968	1.9
151.06064	0.8
153.01804	1.0
159.04356	1.3
160.05150	1.0
161.06009	3.5
164.04280	0.8
165.05594	0.9
165.07016	1.5
165.08864	1.6
175.07603	2.2
177.05406	0.8
178.07796	1.2
179.08566	1.9
183.06409	0.8
183.09888	0.9
183.11308	1.5
191.07008	3.6
193.06393	1.1
194.07378	1.1
202.12633	0.9
203.05183	1.2
205.06560	1.1
207.08109	0.9
210.06810	1.2
211.07359	0.7
221.06047	1.8
223.07423	1.1
224.08379	1.4
225.09138	1.8
230.49178	0.7
235.07491	1.1
237.08990	1.3
238.06241	1.0
243.02895	0.8
249.09196	1.1
251.06902	0.9
253.08606	3.0
265.08575	2.6
267.10117	2.5
273.09500	1.5
277.08612	2.2
278.09195	0.7
285.11102	3.4
287.10965	5.4
294.08954	1.9
295.09601	1.0
297.11282	1.8
299.01819	1.3
301.03476	2.1
309.11227	2.6
313.10587	0.9
345.02625	3.2
345.15213	100.0
346.15726	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	345.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44584	0.3
55.01863	0.5
67.05495	2.0
69.03420	1.3
69.07057	0.5
70.60023	0.4
71.04979	0.4
74.06058	0.5
79.05469	0.8
81.03403	1.2
81.07035	1.6
83.04949	0.4
85.02890	0.9
86.09693	3.3
87.10019	0.6
91.05486	0.6
93.07053	0.8
95.04972	1.1
95.08587	1.1
97.06531	0.7
98.22899	0.5
99.08102	1.0
101.22868	0.4
105.06995	0.5
107.08598	0.5
109.02863	0.5
109.06493	0.8
109.10144	4.0
121.06522	0.5
121.07629	0.4
121.10112	0.8
127.03944	0.6
127.07536	0.9
131.04874	0.5
135.11653	0.6
137.05974	2.5
137.09601	7.4
151.03854	0.5
151.07545	1.2
152.24254	0.4
161.05939	0.5
163.07578	0.6
165.09114	3.7
171.04239	0.4
173.30394	0.4
183.09996	1.9
183.13786	2.9
185.04202	0.8
187.14426	1.7
201.11232	0.5
207.13884	0.5
215.13870	0.5
243.02823	0.5
271.02386	0.5
285.11130	0.7
299.01764	1.0
301.03418	0.9
313.10608	0.9
327.11972	0.5
345.02609	2.7
345.15164	100.0
346.15533	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	345.154
Annotation	8-Epiiridotrial glucoside
Peak:m/z	Relative Intensity
53.03926	1.5
55.01857	1.0
55.05494	2.5
57.03421	2.2
67.05495	24.3
69.03419	5.0
69.07063	1.3
69.46104	2.6
71.04972	1.4
71.26147	0.6
72.44572	0.6
73.02907	0.8
78.59771	0.5
79.05481	2.3
81.03403	7.7
81.06567	0.7
81.07044	13.7
83.04967	1.0
85.02073	0.6
85.02895	5.1
85.10047	0.5
91.05465	2.7
93.07031	4.3
95.04975	3.9
95.08595	6.7
97.02881	2.4
97.06474	0.9
98.22997	1.9
99.04436	3.0
99.08067	1.3
105.06989	0.7
107.08581	2.6
109.02870	5.1
109.06499	1.9
109.10143	54.2
110.10448	1.3
117.06985	0.5
119.08565	3.7
125.05943	1.5
126.61156	0.6
127.03904	4.6
131.04889	0.6
137.09595	100.0
138.09906	2.4
145.05011	0.6
150.93381	0.7
151.55362	0.6
155.10645	5.4
165.09090	66.0
166.09450	2.0
183.10107	3.2
201.11221	4.4
238.06065	0.6
307.55231	0.6
308.15350	0.7
309.13379	3.1
313.10693	1.0
327.14444	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83869	0.8
53.16945	1.1
54.15640	0.9
57.50874	0.9
64.05714	0.9
65.73582	0.8
71.43474	1.1
79.05486	2.1
91.05472	3.6
93.07040	0.9
94.04181	1.3
98.14200	0.8
102.67758	0.9
103.05461	11.1
105.07037	1.4
115.05463	2.4
117.07038	4.5
119.04952	1.6
121.06503	2.7
122.03651	3.9
123.08075	2.0
124.77737	1.1
131.04913	17.9
135.08020	1.4
137.05962	45.8
137.09654	1.1
138.06343	1.5
143.08565	1.6
145.06535	2.5
149.09592	1.4
151.07529	12.1
161.05989	1.6
162.06728	3.5
163.07535	32.9
164.07912	1.8
167.89624	0.9
171.08147	1.4
175.07564	5.8
177.09094	100.0
178.09470	3.4
195.10159	8.7
199.51093	0.9
203.10661	2.9
207.07860	1.1
221.11684	3.5
267.09937	1.3
299.12762	3.2
313.13467	1.2
345.16705	1.5
345.20444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51957	2.1
67.05492	2.8
71.22122	2.2
71.32821	1.8
79.05488	4.4
85.06492	1.8
86.10192	2.5
91.05476	7.2
93.07027	4.9
96.02055	1.8
103.05436	12.6
105.07014	5.4
107.04948	3.8
107.08595	5.4
109.06545	3.6
111.04439	4.0
115.05450	4.4
117.07010	8.4
119.04944	2.9
119.08598	3.1
121.06530	4.7
122.03646	4.7
123.08076	4.7
128.06219	4.6
129.06979	2.3
131.04936	18.0
131.08569	6.5
133.10182	4.0
135.08063	3.9
135.13739	2.0
137.05968	46.5
137.09636	4.6
139.03960	2.3
141.06857	2.6
143.08511	5.0
145.06468	3.3
145.10112	3.9
147.08026	4.9
147.11598	2.3
149.09641	9.8
151.03920	2.4
151.07541	15.8
157.10143	3.5
159.08102	3.2
161.06041	3.1
162.06772	4.9
163.07553	38.5
165.09126	3.7
169.10150	2.6
171.08043	6.0
173.09633	9.3
175.07536	10.6
177.09094	100.0
178.09387	3.2
179.08672	2.4
181.06563	2.5
183.11743	2.3
189.09155	3.3
190.09381	2.2
191.10661	3.5
195.08380	2.9
195.10086	11.0
197.09627	2.2
199.11189	2.3
203.10686	2.4
205.10432	2.1
207.08025	3.0
211.07532	3.7
211.11110	3.2
213.05507	3.2
216.33763	2.1
221.11600	2.3
226.06274	3.0
227.07040	2.1
239.07033	4.1
239.10551	2.4
241.08705	2.7
243.06622	3.0
251.07138	2.2
251.14386	2.7
252.07857	2.2
253.08530	2.3
256.07220	3.3
267.10150	7.5
267.17392	3.7
268.07419	3.0
269.08099	7.3
269.15384	4.1
284.17740	5.4
285.18488	3.8
295.09607	3.4
299.09149	20.4
299.12720	8.0
302.18707	21.1
309.18402	4.1
313.03366	2.8
313.10748	8.9
315.01297	3.6
327.12030	14.4
327.19644	13.4
330.03595	5.7
345.06079	14.1
345.13126	11.8
345.20554	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
57.61994	1.9
67.05504	2.7
69.03421	2.5
69.18506	2.3
69.33631	7.9
69.34029	4.9
74.22342	2.0
79.05476	5.8
81.03448	2.5
81.07050	6.5
85.06521	2.9
91.05470	9.1
93.07035	7.8
95.04961	5.1
95.08626	5.7
103.05453	19.2
105.07001	6.4
107.08575	4.0
109.06509	3.4
109.10146	4.1
115.05468	3.6
117.07031	6.6
119.04890	3.0
119.08553	3.8
121.06510	6.1
121.10129	3.7
122.03648	6.9
123.11668	2.6
128.06175	3.2
131.04926	24.9
132.05638	2.0
133.06529	3.0
135.08020	3.7
137.05957	62.1
137.09619	5.6
143.08556	4.6
143.26891	2.3
145.06465	2.1
145.10072	3.2
147.11705	2.1
149.05919	3.8
151.07542	15.1
160.05077	2.5
161.05995	3.1
162.06639	3.4
163.07538	43.0
165.09096	4.3
167.03302	3.3
175.07529	12.0
177.09093	100.0
178.07935	2.7
178.09402	5.0
195.10159	7.8
203.10611	3.5
221.11774	5.1
239.07043	2.8
239.10643	3.5
253.08522	3.6
267.10205	5.8
268.10117	2.2
285.10910	3.2
295.09735	2.9
299.09091	8.8
299.12695	7.4
301.19724	6.1
313.10590	2.7
327.12177	6.6
327.19446	3.6
345.02335	2.4
345.13171	5.5
345.16882	4.6
345.21332	40.6
346.08292	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	345.2061
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
53.03949	0.7
55.01867	1.2
55.05511	1.5
55.92817	0.7
65.03956	0.9
67.05505	4.3
67.05814	0.7
69.03414	1.1
69.07057	1.0
69.23871	1.3
69.24281	3.0
70.65317	0.7
71.04996	1.4
79.05489	5.1
81.03411	2.6
81.07053	7.5
83.02865	0.7
83.04983	1.8
84.52557	0.7
85.02935	0.9
85.06588	0.9
89.09649	0.6
91.05472	8.6
93.07036	8.9
95.04956	3.6
95.08620	6.5
97.06530	2.6
98.23739	0.7
99.04427	0.8
103.05453	1.8
104.99249	1.1
105.07024	12.4
107.04887	0.9
107.08600	6.5
109.06524	6.1
109.10159	7.0
111.08038	0.9
115.05460	1.7
117.06999	3.9
119.04963	1.5
119.08578	6.4
121.06495	5.5
121.10114	2.6
123.08066	2.2
128.06248	2.5
129.06975	4.1
130.07718	0.9
131.04935	1.9
131.08568	9.8
133.06445	1.4
133.10132	5.3
134.07295	1.0
135.08012	4.8
135.11722	1.3
137.05989	9.7
137.09616	13.3
141.06969	1.8
142.07805	1.6
143.08556	7.5
144.09241	0.8
145.06470	2.6
145.10107	14.0
147.08063	6.5
147.11647	5.9
149.06000	1.1
149.09613	22.2
150.09909	0.9
151.03984	0.9
151.07500	1.5
151.11183	1.7
152.84785	0.7
155.07237	1.3
155.08516	7.1
155.10622	0.8
156.09312	1.5
157.06546	1.0
157.10094	4.2
158.07275	2.9
159.08018	4.6
159.11690	3.4
161.09613	5.0
161.13228	0.8
163.07527	2.4
163.11172	1.2
165.06989	1.4
165.09111	4.2
166.07591	0.7
167.07089	0.9
167.08569	2.2
169.10127	4.7
171.08020	8.3
171.11630	3.7
172.08821	1.1
173.09610	26.8
173.13297	1.1
174.10255	1.4
175.07568	2.7
175.11134	4.4
176.11867	0.8
177.09180	4.3
179.08580	2.4
181.10104	4.4
182.10912	0.8
183.11772	4.0
185.09656	3.6
185.13266	2.8
187.07475	1.1
187.11188	2.4
189.09146	6.7
189.12755	2.6
191.07001	1.3
191.10652	11.0
192.09299	1.5
193.10126	3.0
194.10815	1.0
195.08061	1.2
195.11690	4.3
196.08800	1.0
196.12500	0.9
197.09555	1.5
197.13232	3.3
198.13875	1.0
199.11140	4.6
199.14854	1.1
201.12733	1.5
205.10130	0.9
207.11713	4.3
208.12350	1.3
209.09846	0.7
209.11575	1.4
209.13307	2.9
211.07388	0.7
211.11168	3.5
211.14882	2.2
212.11946	1.7
213.12762	3.7
215.14307	2.3
217.12160	1.1
219.11670	1.4
220.12645	0.9
220.39958	0.7
221.13261	3.1
223.07472	0.8
223.11227	2.1
223.14882	2.9
224.08498	0.8
224.11931	0.9
225.12730	4.6
225.16348	1.9
226.13405	0.8
227.14328	4.3
228.15004	1.0
233.13268	1.8
234.14055	1.1
235.14839	1.7
236.11903	1.3
237.12704	2.9
237.16389	1.3
238.13580	1.0
238.16873	0.7
239.10687	1.1
239.14284	2.6
239.17834	3.3
241.15877	2.5
243.13820	1.0
247.14951	1.4
249.12837	0.9
249.16408	3.1
251.14348	6.4
252.14970	1.7
253.15915	2.5
254.13071	0.8
255.13670	0.9
257.19104	0.7
261.12933	0.8
263.17960	1.6
265.15884	2.8
266.16650	2.0
267.17413	13.4
269.15366	8.3
270.93353	0.7
276.14984	0.9
279.13928	1.4
281.15460	1.1
281.18994	2.6
283.16925	2.1
284.17697	18.1
285.11420	1.3
285.18427	10.2
291.17468	3.5
294.16223	0.9
295.09497	1.0
297.14969	1.1
299.12231	0.8
301.17920	3.9
302.18735	66.0
303.19254	6.6
309.18454	10.5
312.17203	2.7
313.10669	2.5
327.12268	1.3
327.19513	33.4
327.23431	1.7
328.19958	2.3
330.18274	2.2
345.13495	3.9
345.20593	100.0
346.20981	7.6
357.16782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24307	2.4
55.01867	4.9
55.05514	4.6
57.03427	9.0
61.02929	13.4
69.03418	25.4
69.07072	2.9
71.26924	3.3
72.04512	2.6
73.02925	3.9
73.85384	3.1
81.03419	9.2
83.04974	3.1
83.08615	4.9
85.02897	100.0
86.09686	3.0
87.04479	3.9
91.03958	4.5
93.07033	5.1
95.04950	4.4
96.08100	3.2
97.02888	29.6
98.06056	12.3
99.04441	6.5
103.03908	3.3
103.05457	6.1
106.58276	2.8
107.04942	67.4
109.02859	10.2
110.09703	6.5
115.03945	4.0
119.08570	2.6
120.08031	3.8
121.06513	9.2
127.03908	22.3
131.04903	7.2
138.06375	2.8
138.09151	8.6
144.05479	2.6
145.04974	31.5
146.05185	2.8
147.04424	5.5
148.04787	3.7
149.04880	4.1
149.05974	42.1
163.06000	6.4
166.08670	23.1
167.07034	85.0
168.07375	3.2
177.09120	4.1
180.08659	12.6
184.09691	7.9
187.03481	2.5
198.07657	2.8
215.06973	7.7
225.11276	3.1
233.08133	4.2
301.12500	6.3
346.02835	2.8
346.11746	7.1
346.15433	17.4
347.12839	7.7
347.16705	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	27.8
67.05493	100.0
69.07063	28.2
70.70276	14.3
79.05487	21.1
81.07041	42.7
82.83237	14.5
91.05508	16.8
93.07009	32.7
95.08594	20.4
105.07026	23.5
107.08575	28.7
109.10144	72.5
119.08572	25.0
131.64305	14.1
150.55115	18.1
155.10638	43.8
173.11714	97.9
189.11246	31.2
190.62041	18.3
215.54591	14.3
275.20050	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73569	0.8
56.96556	4.6
63.16149	0.8
64.28588	0.8
65.68633	0.9
69.03417	3.8
71.41954	1.0
79.10895	0.8
81.03418	2.8
84.08154	1.2
84.96010	1.1
85.02872	1.3
95.06087	1.2
97.02856	0.9
98.97566	12.6
99.04459	2.9
110.97558	3.3
116.98602	4.3
128.98581	1.3
130.93312	1.1
134.92624	1.1
134.99643	1.1
140.98547	0.9
142.01675	1.0
146.01041	1.7
146.99600	1.5
153.01773	1.3
158.99646	2.9
163.03812	0.9
172.94333	2.6
176.27037	0.9
177.00685	1.4
185.01224	3.1
185.12875	2.9
190.95367	1.7
201.00752	1.1
203.03609	1.3
209.01147	2.1
219.01765	2.6
227.02269	3.3
229.03706	1.0
232.96448	1.5
237.02786	1.8
240.59901	1.0
251.04460	1.2
288.09219	1.6
304.98682	2.0
305.06042	1.2
311.73050	1.0
346.96198	2.0
347.07321	100.0
348.07324	4.8
348.20450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0737
Annotation	Limocitrin
Peak:m/z	Relative Intensity
50.72369	1.9
54.02560	2.0
63.07508	1.9
71.43576	2.2
79.92116	2.2
119.01791	2.7
143.01924	4.9
161.02972	2.4
189.00325	2.2
193.11046	2.3
203.07576	2.2
347.07361	100.0
348.07703	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	347.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15038	2.5
72.08135	1.6
83.04980	1.9
84.04561	1.1
84.08130	1.3
84.17302	1.0
85.02871	1.1
86.09683	1.9
98.22957	2.6
99.25134	1.0
103.85184	1.0
104.26184	1.1
136.06108	1.6
137.06010	1.4
139.08395	1.5
151.07520	3.3
187.48222	1.1
207.01009	1.1
217.37814	1.0
301.09055	1.9
347.07996	7.5
347.12933	19.6
347.16733	100.0
348.17120	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	347.1675
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
69.07089	0.3
69.59934	1.2
77.53864	0.3
85.02895	0.9
98.97574	0.7
123.04408	1.0
145.04993	0.3
154.79309	0.3
163.03957	0.3
183.13290	0.3
185.11546	0.4
219.01772	0.4
237.00824	0.7
279.07440	1.2
347.16721	100.0
348.13239	0.4
348.17126	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1674
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
52.32743	0.3
81.07056	0.4
83.71811	0.4
93.07075	0.5
102.30525	0.3
109.02880	0.5
111.16676	0.4
117.06975	0.5
121.10163	0.4
124.39849	0.3
129.04948	0.3
135.11674	0.4
136.07581	0.8
137.05939	0.6
163.68089	0.3
164.07053	1.3
174.34320	0.4
180.95609	0.3
185.11491	2.1
347.16730	100.0
348.17099	5.1
348.21893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03787	3.5
55.01857	7.3
55.05497	19.2
57.03424	7.3
57.07060	8.3
59.04989	17.7
61.02907	7.5
62.73362	3.6
67.05495	34.7
69.03426	20.1
69.07062	45.9
69.93226	3.4
71.04980	3.6
79.05494	15.7
81.03404	8.9
81.07043	19.3
83.04971	5.4
83.08601	21.4
85.02895	100.0
91.05474	14.9
92.65082	3.5
93.07036	47.2
95.04907	6.2
95.08604	15.0
97.02879	15.9
97.06497	6.6
99.04427	6.7
105.07010	12.2
107.08575	58.5
109.02872	8.6
109.06503	4.3
109.10142	85.0
110.36416	3.5
111.04447	5.8
111.08046	7.9
114.80451	3.3
117.06955	3.0
119.08554	7.7
121.06432	3.7
121.10094	33.3
123.08051	4.9
123.11716	7.1
127.03896	16.6
131.08572	6.7
133.06392	3.2
133.10068	5.1
145.04926	14.8
145.10033	7.7
149.13228	67.0
150.13531	4.6
161.13329	3.8
163.06013	8.7
167.14313	16.2
173.09569	5.6
173.13240	4.4
187.31552	3.6
320.51706	3.6
336.84973	4.0
347.21884	5.4
347.26022	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05489	0.6
56.05016	0.9
57.07061	0.9
58.06594	0.6
67.05474	0.8
69.07075	0.7
70.06622	0.9
74.54524	0.6
79.05485	1.3
81.07042	1.2
88.07630	2.5
91.05454	1.4
93.07042	0.9
95.08588	1.0
107.08533	0.8
109.06567	0.7
119.08540	0.9
123.08110	0.7
135.08040	9.4
144.29758	0.7
149.09666	0.9
161.09550	0.7
169.72174	0.7
177.12756	3.0
210.60890	0.6
220.28584	0.6
224.13615	0.6
231.22186	0.7
277.14056	1.2
296.35587	0.6
298.30771	0.8
346.33191	3.0
347.21918	100.0
347.25735	7.5
347.33243	3.3
348.22226	7.3
357.94336	0.7
362.42166	0.7
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
50.18726	0.6
51.77886	0.6
88.07638	0.9
90.43473	0.6
98.22674	1.3
135.08029	1.8
177.12784	0.7
227.80589	0.7
235.13124	1.0
249.14633	1.4
265.14230	1.1
332.54822	0.6
346.33118	1.6
347.21902	100.0
347.33524	2.2
348.22284	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	347.2215
Annotation	21-Deoxycortisol
Peak:m/z	Relative Intensity
53.03943	1.5
53.93704	1.1
54.47652	1.3
55.01859	5.3
55.05509	9.9
57.03426	2.3
57.07053	1.1
65.03926	1.6
66.18213	1.0
66.62594	1.0
67.05495	18.5
69.03413	3.7
69.07050	5.6
69.32214	5.8
69.95774	1.0
71.04980	3.9
71.49591	1.1
77.03909	1.3
79.05480	23.3
81.03405	1.6
81.07050	25.7
83.04961	4.2
83.08601	2.6
85.06547	1.6
90.36699	1.1
91.05470	33.7
91.06047	1.7
93.07035	44.8
95.04945	10.5
95.08596	17.9
97.06521	8.5
99.04456	1.2
99.08049	1.9
101.40475	1.0
103.05476	1.6
105.03381	1.5
105.07018	45.1
106.07294	1.2
107.04973	7.0
107.08585	30.7
109.06512	12.7
109.10146	18.4
111.04440	1.2
111.08073	5.8
115.05465	3.2
116.06258	1.5
117.07011	29.3
119.04939	3.0
119.08568	34.4
121.06490	17.5
121.10136	32.5
123.04430	2.5
123.08051	22.7
123.11691	8.0
124.08887	8.4
124.09686	1.6
125.06046	1.5
125.08691	2.4
125.09615	46.7
128.06189	6.5
129.06998	10.7
130.07747	3.7
131.04909	1.9
131.08556	51.9
132.08971	2.3
133.06465	10.6
133.10114	31.9
135.08031	20.5
135.11670	23.8
135.12636	1.7
137.05966	6.8
137.09569	6.1
141.06952	7.3
142.07765	5.8
143.07430	1.7
143.08553	27.8
144.05710	1.9
144.09291	4.2
145.06467	12.2
145.10109	48.5
146.07271	2.4
147.08029	32.2
147.11678	7.1
149.06017	2.7
149.09587	13.3
149.13271	2.9
151.07542	2.5
151.11160	16.8
153.06990	2.6
154.07777	9.2
155.06096	1.3
155.08530	12.0
156.09232	1.7
157.06474	3.0
157.10094	15.8
158.07275	9.1
158.10876	1.3
159.08046	24.1
159.11676	42.1
160.12057	2.4
161.09613	18.9
161.13219	9.9
163.07498	3.3
163.11182	4.2
163.14793	1.5
165.06929	2.1
165.09000	1.3
166.07777	1.7
167.08591	4.1
168.09366	2.8
169.08763	0.7
169.10112	21.2
171.08023	26.9
171.09422	1.9
171.11664	12.5
172.08797	4.2
173.09610	47.2
173.13235	23.7
174.10065	1.7
175.11198	8.9
175.14813	3.1
177.09094	5.1
177.12723	6.6
179.08603	4.4
180.09352	2.0
181.10124	7.4
182.10805	1.3
183.07971	2.0
183.11641	10.2
185.09557	7.9
185.13287	8.5
187.07565	3.1
187.11156	78.7
187.14693	2.7
188.11662	4.4
189.09094	8.8
189.12663	3.4
191.10629	23.1
191.12370	1.4
191.14256	2.3
192.11002	1.3
193.10106	2.2
194.10828	1.7
195.11681	9.0
196.12305	1.9
197.09625	4.5
197.13232	7.2
199.11154	7.6
199.14816	6.7
201.12685	7.0
201.16310	1.4
203.10641	2.2
203.14256	2.6
205.10245	2.4
205.12219	24.3
206.12729	1.6
207.11653	5.0
208.12302	2.0
209.09631	3.0
209.13266	9.1
210.13905	1.6
211.11209	4.3
211.14795	4.5
213.12706	9.2
213.16261	5.4
214.59442	1.1
215.14265	5.6
217.12183	2.2
219.11739	1.9
219.13754	6.0
221.13275	3.2
222.14075	1.6
223.11258	7.3
223.12996	2.0
223.14925	6.9
225.12737	3.9
225.16321	6.4
227.10713	1.7
227.14209	2.3
227.17812	1.4
229.15874	2.6
231.11729	1.5
231.13828	2.4
235.14806	3.2
236.15628	2.1
237.12724	4.0
237.16371	6.4
238.13727	1.2
239.14240	3.4
239.17975	1.9
241.12169	2.8
241.15852	13.9
241.19455	1.7
243.17464	2.9
246.14005	1.3
247.14868	1.9
249.12610	1.7
249.16428	2.9
251.14240	2.9
251.17928	6.9
253.15880	14.8
255.17450	6.2
255.20920	1.7
257.15527	1.7
257.18845	1.8
259.13208	2.5
265.15555	2.1
265.19595	8.2
267.17569	3.5
269.15201	1.6
269.19006	8.8
271.16858	9.5
275.17862	5.3
278.16736	2.2
283.17307	1.7
283.20526	9.5
287.19965	2.7
293.18964	50.5
294.19351	3.5
301.17929	1.9
311.19995	100.0
312.20331	7.8
329.21054	77.1
330.21475	5.5
347.22128	94.6
348.22495	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	347.2215
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01866	6.3
55.05505	8.6
67.05507	13.2
69.03423	9.5
69.07066	6.8
71.05009	4.3
71.23331	2.3
79.05107	2.4
79.05505	13.4
81.03415	4.4
81.07061	26.0
83.04984	4.5
91.05486	27.5
93.07036	39.9
95.04978	8.5
95.08617	15.3
97.06527	7.0
99.08072	3.2
105.03372	2.3
105.04506	2.6
105.07027	39.2
107.04945	7.2
107.08585	30.2
109.06513	14.3
109.10165	10.3
111.04432	3.4
111.08071	3.1
117.07024	26.9
118.86235	2.6
119.08578	27.4
121.06493	11.8
121.10152	22.8
121.47594	2.3
122.09661	5.8
123.08079	18.5
124.08826	4.5
125.09632	33.1
128.06235	6.6
129.07001	9.7
130.07793	2.9
131.04930	3.7
131.08572	44.8
133.06497	5.8
133.10112	27.6
135.08043	12.6
135.11650	21.9
137.05995	7.3
137.09619	6.8
138.38995	2.5
141.07008	5.8
142.07715	4.2
143.08540	19.0
144.09380	3.5
145.06502	11.0
145.10110	37.7
147.08060	25.6
147.11696	8.3
149.09637	9.1
151.07498	2.4
151.11154	11.0
154.07767	4.8
155.08528	10.1
157.10083	15.2
158.07248	6.1
159.08047	22.3
159.11679	42.5
161.09627	15.1
161.13286	8.6
163.11179	7.6
167.08592	5.5
169.10100	17.3
171.08029	19.5
171.11667	6.1
173.09615	40.7
173.13228	21.8
175.11182	8.3
175.14832	3.0
177.12726	5.8
181.10175	7.8
183.11710	12.3
185.09621	6.0
185.13229	3.7
187.11168	57.4
189.09113	5.6
189.12761	4.1
191.10669	17.3
191.14339	3.4
194.10927	3.2
195.11703	8.6
197.13254	5.1
199.11186	6.9
201.12790	9.1
205.10381	3.8
205.12204	20.5
207.11812	3.8
209.13200	7.3
211.11206	4.1
211.14751	6.4
213.12747	7.8
213.16373	5.1
215.14371	4.7
219.13785	4.3
223.11209	4.2
223.14888	4.2
225.12808	5.0
225.16364	7.9
227.14290	4.0
229.15944	3.5
231.13806	3.5
235.14868	4.3
237.12758	4.6
237.16356	7.1
239.14311	3.2
241.12282	2.9
241.15906	10.1
243.13821	3.0
251.18030	5.4
253.15869	12.8
255.17538	4.5
261.14941	7.7
265.19522	6.8
267.17319	3.9
269.19070	9.1
271.16876	5.8
275.17932	4.2
283.20505	9.0
287.20139	2.7
293.18994	40.1
311.20023	89.9
312.20462	3.4
316.76797	2.5
329.21097	66.3
330.21454	6.0
347.22159	100.0
348.22290	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	347.2216
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01865	3.5
55.05507	6.3
57.03447	2.3
62.24357	1.3
67.05513	12.0
68.99442	1.4
69.03418	2.9
69.07069	6.1
70.66927	3.0
71.04989	3.6
71.59110	1.3
79.05491	14.4
81.03417	2.5
81.07050	18.3
83.04964	4.2
83.08617	3.0
85.06526	1.7
91.05479	24.2
93.07046	30.4
93.18877	1.6
95.04959	6.0
95.08609	13.5
96.54916	1.3
97.06523	4.4
99.04420	1.6
103.05507	1.5
105.03349	1.7
105.07024	33.2
105.07724	1.9
107.04957	5.7
107.08588	23.3
108.68873	1.5
109.06535	8.0
109.10149	11.3
111.08096	2.7
117.07008	15.6
119.04935	2.0
119.08568	24.8
121.06517	11.2
121.10133	22.5
122.22000	1.5
123.04454	3.3
123.08052	14.5
123.11716	3.3
124.08824	3.8
125.09637	28.6
128.06207	4.8
129.06984	9.0
130.07755	2.9
131.08569	34.8
131.64990	1.4
133.06496	4.2
133.10120	18.2
135.08058	11.4
135.11700	15.9
137.05984	5.5
137.09602	4.1
141.06984	4.7
142.07776	3.7
143.08582	16.8
144.09377	4.0
145.06477	8.0
145.10127	33.5
146.07242	1.6
147.08029	16.2
147.11711	6.2
149.05959	2.5
149.09592	8.6
149.13316	1.8
151.03874	2.1
151.07552	2.1
151.11166	11.9
153.07042	2.2
154.07742	5.4
155.08527	10.7
157.06602	1.7
157.10132	12.1
158.07307	6.8
159.08072	15.3
159.11690	29.9
161.09608	10.0
161.13243	6.7
163.11148	8.2
165.06929	2.0
167.08606	2.2
168.68364	1.6
169.10138	16.3
170.10849	1.8
171.08093	18.3
171.11716	8.0
173.09622	34.5
173.13225	15.1
175.11179	5.4
177.09154	3.2
177.12766	2.4
179.08508	2.0
181.10150	5.3
182.10855	1.9
183.11673	6.1
185.09636	6.3
185.13283	6.6
187.07602	1.9
187.11174	46.9
187.12868	2.5
187.14824	3.7
188.11606	1.8
189.09135	6.6
189.12741	3.1
191.10649	14.4
191.14322	1.7
192.42986	1.5
193.09987	3.1
195.07918	1.7
195.11754	9.2
196.12405	1.7
197.09642	4.4
197.13246	4.6
199.11197	7.4
199.14818	3.4
201.12701	7.7
203.10655	1.6
203.14359	2.9
205.12206	15.7
206.10777	1.7
207.11797	2.5
209.09628	2.1
209.13266	5.9
211.11209	3.0
211.14873	2.3
213.12758	10.1
213.16345	3.0
215.14330	4.2
217.12421	1.7
219.13849	4.9
221.13362	2.2
223.11139	3.3
223.14859	5.1
225.12781	3.5
225.16368	4.8
227.14366	3.1
227.17950	2.3
231.13669	7.0
235.14699	1.8
236.15448	2.3
237.12749	3.8
237.16394	5.3
239.14363	3.5
239.17897	3.6
241.12248	4.2
241.15758	7.4
243.17406	2.8
247.14793	2.1
249.14818	3.1
251.14352	2.7
251.17970	3.1
253.15891	8.6
255.17523	4.6
257.15509	2.1
265.16400	1.6
265.19586	6.1
266.20084	1.8
267.17453	2.5
269.18784	7.9
271.16937	8.8
275.17926	4.7
283.17459	1.7
283.20544	8.5
285.10864	1.5
287.20096	2.8
293.18973	34.6
294.19470	2.0
311.20013	75.4
312.20334	4.9
329.21051	67.7
330.21579	3.8
347.15250	3.5
347.22168	100.0
348.22391	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	347.2215
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03944	2.5
55.01863	6.8
55.05502	7.9
57.03427	3.3
60.19440	2.3
60.41966	2.7
62.79520	2.0
67.05509	16.2
69.03417	5.5
69.07061	8.6
70.98785	2.8
71.04990	5.7
77.63528	2.0
79.05492	26.7
81.03394	2.9
81.07055	33.4
83.04961	6.0
85.06527	4.3
91.05475	36.5
92.22823	2.4
93.07040	47.0
95.04964	12.8
95.08595	16.4
97.06516	11.1
99.04462	2.4
103.05471	3.6
105.03397	3.5
105.07020	49.5
107.04951	7.7
107.08588	29.0
108.05029	2.0
109.02939	2.4
109.06529	14.8
109.10153	17.4
109.56640	2.3
111.04438	2.3
111.08092	13.2
113.09599	2.1
115.05445	5.2
117.07012	23.4
119.04973	5.8
119.08578	33.2
121.06499	23.4
121.10145	34.3
123.04453	3.0
123.08057	21.1
123.11709	7.1
124.08868	4.9
125.09625	44.2
128.06184	7.0
129.07002	10.0
130.07773	3.8
131.04941	2.4
131.08563	50.3
133.05661	2.2
133.06467	11.9
133.10126	23.5
135.08072	17.0
135.11684	26.4
137.05948	11.0
137.09627	6.7
141.06982	6.6
142.07771	3.4
143.08577	19.8
144.09332	4.9
145.06447	12.8
145.10110	45.8
147.08043	29.7
147.11668	6.9
149.05975	4.8
149.09589	10.8
149.13246	3.6
151.07520	3.9
151.11165	16.3
153.01698	2.6
153.06981	5.2
154.07753	6.5
155.08569	12.2
156.09335	3.5
157.10115	19.1
158.07269	8.4
159.08066	18.7
159.11674	41.4
161.05974	4.3
161.09589	17.5
161.13275	6.9
163.07611	4.5
163.11124	5.5
165.06998	3.8
167.08534	5.4
169.10139	22.4
171.08057	19.8
171.11681	10.6
172.08781	4.3
173.09604	46.5
173.13213	23.3
175.07547	3.7
175.11195	9.0
177.09085	4.3
179.08469	3.7
180.09293	3.4
181.10127	7.1
183.11674	10.2
185.09641	8.7
185.11751	2.6
185.13272	6.9
187.07608	3.7
187.11163	77.5
187.14819	2.9
189.09102	8.8
189.12827	3.6
191.10652	23.2
191.14294	2.8
193.10144	5.5
195.07961	3.0
195.11684	11.2
197.09647	4.3
197.13257	6.4
199.11186	8.3
199.14906	4.4
201.12689	9.5
203.14322	3.6
205.12234	26.3
207.11729	5.5
209.13297	6.8
211.11211	3.6
211.14796	7.0
213.09145	2.6
213.12749	9.0
213.16318	3.9
215.10806	2.4
219.13722	3.9
221.13371	2.8
223.11174	7.7
223.14813	7.0
225.16370	5.3
227.14174	3.1
227.17920	3.1
229.16019	2.7
235.14868	5.1
237.12665	6.2
237.16357	8.4
239.14453	5.2
239.17899	2.5
241.12302	3.5
241.15881	9.7
243.17296	2.9
249.16402	4.6
251.17963	9.6
253.15833	12.2
255.17390	6.6
265.19534	9.0
267.17499	5.1
269.19101	9.6
271.13516	3.5
271.16931	8.3
275.18008	5.8
276.72241	2.5
283.20535	6.9
287.19946	4.2
293.18973	41.2
294.19473	3.4
301.21542	3.4
311.20026	97.5
312.20346	7.7
329.21106	75.6
330.21429	3.9
347.22168	100.0
348.22479	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	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01870	0.7
56.21989	0.4
57.03421	1.3
60.04517	0.6
61.02908	1.1
67.05497	1.5
69.03423	3.8
69.07059	44.0
70.06590	2.9
70.07391	0.9
70.78067	0.4
70.81759	0.7
73.02924	0.8
79.05503	0.5
81.03411	2.7
85.02900	14.5
86.02455	0.5
93.18888	0.5
95.04947	2.6
97.02879	5.8
97.06510	4.0
98.06859	0.4
99.04398	0.6
99.97166	0.4
103.03942	0.9
109.02855	2.9
112.07593	5.5
123.04404	1.9
124.82439	0.5
127.03898	2.4
131.89104	0.5
136.06149	1.3
136.07555	0.7
140.07047	44.9
141.05479	1.1
141.07399	0.9
154.08621	0.6
164.07188	0.6
168.06544	100.0
169.06900	2.6
182.08115	10.7
186.07587	15.5
206.08063	1.7
210.07593	19.4
210.09599	1.0
211.07880	0.8
228.08667	2.7
234.07616	3.3
238.07083	0.5
252.08530	0.5
264.08621	1.3
276.08594	2.0
294.09747	0.6
312.10791	0.6
330.11734	0.4
339.99188	0.5
348.13120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	26.6
65.50126	9.9
67.05495	80.4
69.07060	19.2
69.92534	10.2
69.92854	18.9
76.83085	7.9
79.05493	34.5
80.73911	7.8
81.07048	51.9
83.08590	21.1
91.05487	27.4
92.02428	8.9
93.07028	28.9
95.08607	28.9
97.10216	11.8
97.91175	8.4
105.07022	27.9
107.08572	22.4
109.10143	59.3
117.07014	12.5
119.08564	16.3
121.10165	20.4
125.09573	11.6
131.08597	12.1
133.10176	11.6
140.33440	10.2
145.10114	14.9
145.13441	9.6
147.11676	13.7
149.13208	11.6
155.10689	16.7
159.11710	17.3
161.13347	8.9
173.11720	100.0
179.14229	11.9
189.11203	10.6
195.13896	18.0
213.14857	12.1
242.08415	9.1
276.36441	9.3
277.21649	29.0
295.22638	22.1
325.62405	9.0
349.19818	25.6
349.23834	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	349.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59664	1.6
56.96540	1.6
59.78337	1.6
69.03409	1.8
70.04054	1.8
70.74428	3.3
81.51504	1.5
89.03898	5.1
91.05477	1.6
93.07050	2.0
98.63925	1.4
99.23228	1.6
107.04923	2.2
107.34545	1.3
111.71432	1.7
117.03359	6.7
118.95534	1.5
135.04396	15.1
141.01575	5.0
144.40411	1.6
145.02846	8.2
153.05249	1.5
163.03883	51.7
164.04245	3.4
169.01060	8.4
183.51494	1.7
185.02083	37.4
186.02304	1.5
187.02122	100.0
187.08740	2.6
221.02936	4.3
303.03589	2.7
312.85635	1.7
349.05328	29.7
349.09378	5.4
349.13730	2.6
349.17596	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	349.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89177	0.3
56.96563	0.4
66.35320	0.3
70.93120	0.3
81.25880	0.3
82.70881	0.3
83.04932	0.4
88.67634	0.3
94.06336	0.3
96.28536	0.3
151.46495	0.4
161.14566	0.3
163.03935	2.3
164.04167	0.4
185.02055	1.8
187.02124	4.1
187.09399	7.5
239.02203	0.3
305.62454	0.3
331.04654	0.3
349.14630	100.0
350.15002	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1774
Annotation	Funebrine
Peak:m/z	Relative Intensity
56.96560	49.9
67.05483	13.5
69.07051	12.9
71.04990	6.6
71.42881	6.8
71.81969	5.9
76.54102	6.0
79.05477	17.8
81.07043	46.7
91.05461	19.4
93.07037	10.4
95.08620	10.2
105.03404	14.7
107.08553	7.3
109.06531	14.3
119.08611	8.2
120.83997	6.1
121.10101	9.6
128.98628	10.7
142.46593	6.7
145.10155	10.2
146.99617	10.6
149.05980	19.3
160.03943	9.2
171.03386	7.4
191.49072	6.2
199.06401	6.7
203.05869	6.5
225.07764	7.7
228.23189	13.5
243.09280	7.0
255.08801	15.7
275.19833	13.1
277.10535	7.4
278.34988	7.2
298.10931	6.8
303.16098	6.7
331.15689	58.8
340.59155	6.8
349.16782	100.0
349.20242	6.9
350.26791	11.2
367.17905	28.1
372.18381	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	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37545	1.5
51.02376	1.5
53.03938	2.6
55.01866	9.9
55.05505	25.0
56.96559	6.3
57.03434	23.4
57.07077	4.0
67.05154	3.7
67.05500	44.9
69.07063	35.0
76.32552	1.7
79.05487	41.0
81.03416	2.3
81.07051	54.1
82.07389	3.0
83.04982	8.1
83.08624	8.1
90.03437	1.9
91.05471	41.7
93.07038	42.9
95.04961	13.5
95.08601	30.5
97.06512	6.3
97.10184	3.9
98.22699	4.3
105.07005	41.8
107.04937	10.6
107.08586	30.5
109.06519	17.1
109.10152	13.6
111.08041	4.0
117.07017	9.7
119.08566	26.9
121.06499	16.4
121.10106	13.3
123.08060	8.1
123.11741	1.9
125.09615	2.1
129.07010	6.1
130.07750	2.4
131.08554	24.6
133.06474	4.3
133.10121	29.2
135.08064	8.0
135.11699	9.4
135.94832	1.7
137.09590	2.8
143.08554	5.9
145.06528	2.7
145.10103	20.1
147.08087	4.7
147.11668	15.5
149.09613	7.2
149.13313	3.1
151.11203	5.2
157.10130	5.8
159.08037	2.2
159.11644	9.6
159.49773	1.9
161.09659	2.7
161.13277	5.8
163.11143	10.5
171.03307	2.0
171.11819	6.0
173.09624	3.4
173.13281	8.4
175.11243	3.7
177.12791	3.0
179.14294	4.3
183.11758	4.9
185.13200	2.1
187.11150	4.2
187.14828	2.2
189.12695	2.8
197.13148	3.3
201.12793	3.5
207.13770	4.4
211.14946	2.3
213.08020	2.5
215.18011	2.1
219.13782	3.7
229.19495	2.5
239.17908	4.7
247.20555	5.8
255.09181	3.4
257.18958	17.3
267.08981	4.0
269.10724	5.9
269.61462	2.1
275.20044	100.0
276.20474	5.9
285.10062	4.9
293.21130	5.3
331.16010	2.3
349.17343	4.4
349.23676	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	349.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33873	9.5
56.96559	26.8
57.03442	16.5
67.05473	14.9
71.43275	13.4
76.00670	9.7
79.05483	33.4
81.07055	31.5
91.05479	16.2
93.07035	17.3
95.08609	9.3
107.08524	9.9
119.08575	9.6
128.00528	9.5
131.50737	9.8
133.10083	10.9
145.10056	13.5
180.16435	9.9
243.09041	23.8
257.18991	10.4
261.10059	18.9
331.15796	76.5
349.16458	100.0
349.23975	24.0
367.17947	14.6
372.18481	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	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37545	1.5
51.02376	1.5
53.03938	2.6
55.01866	9.9
55.05505	25.0
56.96559	6.3
57.03434	23.4
57.07077	4.0
67.05154	3.7
67.05500	44.9
69.07063	35.0
76.32552	1.7
79.05487	41.0
81.03416	2.3
81.07051	54.1
82.07389	3.0
83.04982	8.1
83.08624	8.1
90.03437	1.9
91.05471	41.7
93.07038	42.9
95.04961	13.5
95.08601	30.5
97.06512	6.3
97.10184	3.9
98.22699	4.3
105.07005	41.8
107.04937	10.6
107.08586	30.5
109.06519	17.1
109.10152	13.6
111.08041	4.0
117.07017	9.7
119.08566	26.9
121.06499	16.4
121.10106	13.3
123.08060	8.1
123.11741	1.9
125.09615	2.1
129.07010	6.1
130.07750	2.4
131.08554	24.6
133.06474	4.3
133.10121	29.2
135.08064	8.0
135.11699	9.4
135.94832	1.7
137.09590	2.8
143.08554	5.9
145.06528	2.7
145.10103	20.1
147.08087	4.7
147.11668	15.5
149.09613	7.2
149.13313	3.1
151.11203	5.2
157.10130	5.8
159.08037	2.2
159.11644	9.6
159.49773	1.9
161.09659	2.7
161.13277	5.8
163.11143	10.5
171.03307	2.0
171.11819	6.0
173.09624	3.4
173.13281	8.4
175.11243	3.7
177.12791	3.0
179.14294	4.3
183.11758	4.9
185.13200	2.1
187.11150	4.2
187.14828	2.2
189.12695	2.8
197.13148	3.3
201.12793	3.5
207.13770	4.4
211.14946	2.3
213.08020	2.5
215.18011	2.1
219.13782	3.7
229.19495	2.5
239.17908	4.7
247.20555	5.8
255.09181	3.4
257.18958	17.3
267.08981	4.0
269.10724	5.9
269.61462	2.1
275.20044	100.0
276.20474	5.9
285.10062	4.9
293.21130	5.3
331.16010	2.3
349.17343	4.4
349.23676	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	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42229	4.4
52.71710	4.3
55.01863	17.3
55.05506	26.9
56.96556	22.8
57.03424	20.4
60.34800	4.3
67.05496	45.9
69.07066	37.9
76.83714	4.8
79.05480	50.9
81.07047	65.8
83.04966	8.4
83.08589	7.4
91.05482	47.8
93.07042	51.1
95.04963	15.3
95.08591	34.2
97.06517	8.8
97.10161	9.4
105.07013	48.8
107.04929	17.0
107.08581	33.0
109.06524	12.9
109.10147	17.1
111.08072	9.1
117.07023	13.7
119.08572	32.3
121.06512	10.5
121.10119	14.8
123.08067	10.1
129.07092	5.8
131.08562	21.4
133.10115	25.0
135.08109	9.4
135.11681	7.1
137.09613	5.3
143.08580	9.8
145.10135	25.5
147.11682	17.2
149.09639	14.3
151.11230	6.8
157.10083	7.5
159.11708	13.1
160.75548	5.5
161.13269	9.7
163.11176	11.1
173.13264	14.9
177.12776	5.9
179.14313	5.4
229.19458	7.0
239.17780	5.6
255.09143	9.3
257.19000	21.4
267.08997	12.3
269.10626	20.3
275.20035	100.0
276.20496	6.5
285.10034	19.3
287.11713	7.7
293.21005	8.3
349.17215	17.4
349.23721	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41596	2.5
52.43061	2.6
53.45068	2.1
55.05489	2.3
56.06035	2.9
56.96574	12.5
57.07055	6.4
58.07409	3.0
61.90034	2.2
63.04804	2.5
69.03445	2.5
69.07059	3.3
70.06573	14.7
71.06942	5.4
71.08617	4.8
79.05466	3.3
80.94807	2.7
88.07626	21.3
89.07971	7.6
94.37892	2.4
97.96821	6.1
98.23032	2.8
102.09174	10.5
103.09505	7.7
105.07330	2.7
109.68958	2.2
110.97560	3.6
115.97833	3.5
128.98621	5.5
133.10339	3.1
169.01781	2.7
173.51128	2.6
197.27957	2.5
239.09639	4.4
241.11153	14.5
259.12085	19.8
284.29550	4.8
285.29813	8.6
286.30026	27.6
287.30499	5.8
331.15857	5.7
348.33722	100.0
349.16827	22.4
349.34042	31.4
367.17877	39.5
368.17902	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	349.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13922	0.8
57.13486	0.7
67.05485	1.2
70.06578	1.0
70.12560	1.7
79.05484	1.1
79.64285	0.8
81.07068	0.9
88.07574	0.9
91.05475	1.0
94.19648	0.8
95.18660	0.8
98.15746	0.8
98.23227	2.1
104.01333	0.8
105.06990	1.3
137.05733	2.2
162.37253	0.8
235.12872	1.6
267.90994	0.9
286.27472	1.6
348.30981	2.0
349.19797	100.0
349.31375	3.1
350.20120	5.5
362.53781	0.9
363.61334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
57.03168	0.7
65.82539	0.6
70.12519	1.6
89.71210	0.7
91.34733	0.6
125.17580	0.6
159.36295	0.6
165.30199	0.6
199.91878	0.7
221.85027	0.6
233.54462	0.7
254.23343	0.8
254.53905	0.8
261.14801	0.9
297.25864	0.8
302.86581	0.6
349.19836	100.0
350.20215	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	349.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
60.04524	0.6
70.14452	0.9
70.47211	0.4
81.07034	0.4
81.60543	0.5
86.74579	0.5
91.05481	0.5
98.23038	0.9
111.04177	0.6
111.27091	0.5
137.05714	1.0
203.10265	0.5
225.10980	2.0
235.13017	0.5
261.14597	3.6
267.92484	0.6
280.12839	1.0
349.19812	100.0
350.20050	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	4.7
61.36316	2.5
67.05488	3.4
69.93496	2.7
70.61229	3.5
71.08657	3.5
80.94845	3.9
81.07044	3.9
95.08601	4.5
98.22776	2.6
98.23331	2.7
109.25616	2.3
116.92461	2.5
123.08117	4.2
237.16840	5.1
275.20059	3.2
280.99634	2.8
293.23157	4.6
320.72278	2.6
349.23499	100.0
349.27341	9.8
350.23718	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	349.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.9
57.03423	1.0
57.07069	1.8
59.78881	0.8
67.05499	3.1
69.07061	3.5
71.08654	0.8
79.05478	3.0
81.07047	5.3
82.30102	0.8
87.95631	0.7
89.06026	0.9
91.05459	2.2
93.07043	2.5
95.08602	2.9
97.06544	1.3
105.07021	3.2
107.08599	2.0
109.06525	1.8
111.24517	0.8
117.07020	1.4
119.08580	2.7
123.08069	3.6
123.11741	0.8
131.08577	1.6
133.10138	2.0
135.11719	1.2
145.10146	0.9
159.11711	0.9
161.12025	1.1
179.14302	6.5
257.19077	0.9
275.20041	2.1
337.69257	0.8
349.23474	100.0
349.27228	6.3
350.23782	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.2
55.01863	5.3
55.05507	13.2
56.96585	2.6
57.03432	14.5
57.03688	1.2
57.07085	3.3
59.05079	0.9
65.03955	1.7
67.05498	29.3
69.03457	2.1
69.07062	18.2
69.74684	2.9
71.05004	2.4
77.03902	1.3
79.05486	24.3
81.07049	34.9
82.07365	0.6
82.78745	0.6
83.04975	6.6
83.08213	1.0
83.08607	4.9
85.06559	1.4
91.05466	22.6
92.05797	0.8
93.07037	29.0
95.04961	10.6
95.05508	0.8
95.08595	18.4
97.06538	4.6
97.10207	2.8
98.22988	2.0
103.05515	1.3
105.04544	1.3
105.07012	28.9
106.07352	1.0
107.04940	9.1
107.08581	16.8
107.09232	1.2
109.06508	11.3
109.10152	9.1
109.24249	0.8
111.08092	1.6
115.05465	1.3
117.07014	8.3
117.32599	0.7
119.08569	16.4
121.06490	12.9
121.10133	10.6
123.08057	4.3
123.11735	3.2
125.09612	1.2
129.07034	2.5
130.07849	0.9
131.08556	16.6
133.06474	3.8
133.10121	16.9
134.10477	0.8
135.08032	5.3
135.11697	6.0
137.06024	1.1
137.09639	2.5
137.13248	0.9
139.07532	1.2
143.08533	4.3
145.06544	1.9
145.10112	16.4
147.08063	3.8
147.11658	11.2
148.12041	0.9
149.09618	6.8
149.13278	3.4
151.11171	6.4
155.08568	1.8
157.10118	4.0
159.08054	2.2
159.11649	7.8
161.09616	5.0
161.13283	3.8
163.11140	6.0
163.14824	1.4
164.39395	0.9
165.12816	1.3
169.10074	1.7
171.11870	2.3
173.09644	2.7
173.13229	5.3
175.11176	3.3
175.14784	1.2
177.12762	2.6
183.11673	3.0
185.13264	1.7
187.11206	2.7
187.14844	2.0
189.12744	1.3
191.14334	3.7
197.13269	1.9
199.06348	0.9
199.14928	0.9
201.12733	3.2
201.16457	1.0
205.19440	1.5
207.13768	4.6
213.08012	2.0
215.14272	1.9
215.18001	2.3
219.13744	3.8
229.07506	2.5
229.19478	2.5
231.08949	1.0
231.17540	1.3
239.17828	4.1
247.08481	1.3
247.20616	4.3
257.18979	18.0
258.19312	1.0
275.20032	100.0
276.20340	6.8
293.21109	7.3
349.17209	3.9
349.23654	29.7
350.23975	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01868	18.7
55.05510	38.5
57.03435	28.9
57.07063	2.1
65.03936	3.9
67.05501	64.6
68.05840	2.3
69.03417	4.6
69.07063	38.9
71.04986	4.5
75.77366	1.7
79.05488	100.0
80.05829	2.9
81.03407	4.1
81.06557	3.6
81.07050	73.9
83.04992	13.0
83.08617	16.5
85.06515	3.0
91.05475	72.5
93.07040	68.2
95.01307	2.8
95.04963	21.1
95.08596	39.2
97.06520	15.7
97.10152	13.4
99.08064	3.1
103.05436	1.7
105.04483	4.1
105.07021	78.7
107.04951	24.7
107.08589	94.6
108.08903	3.8
109.06512	23.3
109.10159	19.3
111.08094	4.2
113.00037	2.5
115.05388	3.4
117.07010	23.4
119.06040	4.3
119.08566	41.7
119.09415	2.4
121.06486	11.3
121.10140	21.5
123.08055	7.5
123.11697	5.3
125.09621	14.8
128.06230	2.2
129.07008	8.1
130.07849	1.9
131.08554	40.3
133.06523	2.0
133.10118	41.9
135.08038	9.7
135.11688	11.9
137.09573	3.2
141.06999	2.4
143.08580	9.6
144.09361	2.5
145.06477	2.2
145.10112	68.3
146.10529	2.7
147.08057	4.5
147.11668	36.3
149.09605	26.9
149.13261	5.7
151.11165	5.0
155.08565	5.7
157.10127	9.2
159.11693	24.5
161.09628	3.5
161.13251	8.6
163.11179	11.3
169.02605	2.7
169.10130	5.2
171.11696	13.2
173.09763	2.0
173.11867	2.0
173.13237	9.6
175.11133	3.8
175.14854	2.7
177.12735	4.7
179.14336	3.5
183.11630	7.7
185.13266	4.9
187.11111	3.9
187.14757	2.6
189.11223	9.9
193.04897	2.2
197.13260	5.7
203.14406	3.1
204.97594	1.8
215.17758	2.1
219.13797	2.5
219.17439	6.5
229.07755	1.8
229.19475	6.3
233.19142	1.8
239.17976	14.2
240.18375	1.9
247.20479	5.6
257.16360	3.0
257.18994	43.9
263.21506	1.8
275.20035	96.8
276.20334	6.6
279.50610	1.7
293.21097	6.3
331.22598	2.5
349.19760	18.3
349.23688	64.4
350.23920	5.9
353.98206	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64127	1.2
53.03949	1.8
55.01861	4.6
55.05504	15.7
56.96550	2.6
57.03436	14.6
57.07064	3.0
67.05496	28.8
69.03406	1.7
69.07059	20.3
69.32438	6.4
71.04990	2.2
77.16468	1.3
79.05484	26.6
80.94830	1.4
81.06568	1.7
81.07047	35.2
83.04974	7.0
83.08598	5.7
85.06549	1.1
91.05471	22.1
91.32005	1.2
93.07036	30.2
95.04949	11.7
95.08595	20.4
97.06514	5.8
97.10158	2.5
98.22995	5.1
105.07004	25.6
107.04949	11.6
107.08581	20.4
109.06489	13.2
109.10132	9.4
111.08060	1.3
111.44041	1.1
117.07004	7.6
119.08569	16.7
121.06502	11.8
121.10129	11.2
121.39261	1.1
123.08077	5.4
123.11684	3.0
125.09570	1.4
126.54696	1.1
127.83427	1.3
129.06975	2.1
131.08559	18.3
133.06490	3.0
133.10107	21.0
135.08006	7.4
135.11687	4.8
137.09599	2.9
137.13138	1.0
141.06990	2.5
143.08568	3.1
145.06490	1.9
145.10106	14.0
147.08052	3.1
147.11656	10.5
148.12015	1.3
149.09598	8.3
149.13231	2.1
150.30876	1.1
151.11186	5.1
153.15370	1.2
155.08537	1.5
157.10132	4.6
159.07965	2.1
159.11703	10.5
161.09618	3.5
161.13225	4.2
163.11186	8.5
169.10138	2.1
171.11777	4.1
173.09578	4.1
173.13255	6.8
175.11212	2.5
177.12766	2.8
183.11638	2.2
187.11169	2.2
189.12679	1.6
191.14294	3.2
197.13251	1.9
201.12726	3.7
207.13669	3.0
215.14265	2.4
219.13809	4.0
229.19455	3.4
233.18951	1.3
239.17952	3.7
247.20538	6.1
257.19000	17.1
269.10458	1.6
275.20029	100.0
276.20432	6.4
285.10098	2.3
293.21243	6.2
349.10443	1.6
349.17099	2.9
349.23672	28.4
350.23972	1.3
350.78891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	20.2
55.01867	22.0
55.05504	34.8
57.03427	21.0
60.20884	2.7
65.03933	2.4
67.05498	79.4
69.03421	2.7
69.07059	79.4
69.15091	14.3
71.04986	4.8
71.70549	2.0
73.90902	1.8
75.27075	2.3
77.03933	3.8
79.05485	77.2
79.05940	4.6
81.03407	34.5
81.03831	2.8
81.07052	95.6
83.04979	18.1
83.08634	12.6
91.05470	78.9
93.07036	68.3
93.07587	4.2
95.01315	25.5
95.04958	30.1
95.08598	61.1
97.06519	32.1
97.10167	4.3
98.23444	4.3
105.04532	6.3
105.07022	100.0
106.07317	2.1
107.04946	43.0
107.08583	28.2
109.06531	9.0
109.10162	11.7
111.04482	2.2
111.08088	4.4
114.03444	2.3
115.05460	2.8
117.07011	31.6
119.08571	51.9
120.08939	3.5
121.06516	6.9
121.10117	13.0
123.04400	5.2
123.08090	11.0
123.11722	3.7
125.09626	3.3
128.06256	2.7
129.07045	5.3
131.08556	34.4
133.06511	3.1
133.10114	59.3
135.08076	8.1
135.11653	15.4
137.09601	3.0
139.07584	2.9
141.07002	5.9
143.08565	6.4
145.06500	8.6
145.10097	29.4
145.11050	2.5
147.11671	27.4
149.09589	11.5
149.13216	10.6
155.08594	2.4
157.10144	6.2
159.11668	25.3
159.12759	2.3
161.09579	2.9
161.13286	10.2
163.11209	9.5
165.09177	4.5
169.10162	5.2
171.11725	4.9
173.13292	5.3
177.12781	9.1
179.14308	32.6
183.11662	2.6
187.11220	9.0
197.13266	3.6
207.13878	2.6
221.43060	2.3
227.75224	2.1
239.18036	3.7
247.20694	4.7
253.53809	2.4
257.19058	8.5
268.68542	2.1
275.20038	62.4
276.20374	4.5
293.21115	2.6
331.15817	3.3
349.19974	3.3
349.23688	41.1
350.24164	3.7
361.38345	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	1.9
53.03934	16.1
55.01866	18.3
55.05256	3.2
55.05507	34.3
57.03437	21.9
59.02785	1.6
63.95028	2.0
65.03936	5.3
67.05498	78.4
69.03410	3.5
69.07062	74.3
69.81877	4.6
70.07388	2.0
71.04967	4.9
77.03938	4.0
79.05483	69.3
79.05946	3.3
81.03413	36.0
81.07047	99.2
82.07397	2.1
83.04977	15.4
83.08604	14.7
85.06532	3.4
91.05472	80.6
93.07034	65.0
94.07362	2.3
95.01318	24.1
95.04957	27.2
95.08597	64.1
96.08947	1.6
97.05964	2.3
97.06525	26.5
97.10144	5.9
103.05432	1.8
105.07017	100.0
107.04947	44.6
107.08576	31.7
109.06509	11.8
109.10163	12.5
111.08064	5.4
113.09641	3.2
113.18378	1.5
115.05429	3.0
117.07005	27.0
119.04951	2.3
119.08564	49.7
121.06481	8.5
121.10109	11.5
123.04424	3.7
123.08031	10.5
125.09618	3.9
129.06999	3.8
130.10225	2.0
131.04903	1.8
131.08551	33.8
132.08888	2.4
133.06503	3.0
133.10121	61.6
135.08049	6.7
135.11696	14.1
137.09590	5.3
139.07481	1.7
141.06946	5.6
143.08528	6.1
145.06511	8.5
145.10110	28.3
147.08006	1.6
147.11671	27.7
149.09595	10.8
149.13260	11.4
151.11188	4.5
155.08545	1.7
157.10085	6.4
159.08038	3.0
159.11681	25.4
161.13239	9.1
163.11180	8.8
165.09096	3.6
169.10168	7.6
171.11729	4.3
173.13251	5.9
175.11087	2.1
177.12685	10.9
179.14297	25.9
183.11646	3.7
185.13214	2.3
187.11174	9.4
189.12741	2.9
197.13179	2.1
197.33571	1.5
205.12224	3.4
223.13480	1.9
239.17934	3.3
241.14362	2.2
247.20630	3.9
257.18958	8.9
267.39471	1.5
275.20056	60.6
276.20377	3.4
279.16144	1.6
293.21255	1.8
322.59839	1.6
349.19473	2.1
349.23697	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.93750	0.4
55.01868	0.7
55.05502	6.3
57.03445	0.6
57.07075	2.5
59.04972	0.7
67.05495	4.8
69.07061	9.4
69.61851	1.9
71.04977	1.7
71.08611	0.9
73.06570	0.8
79.05492	3.6
81.07047	8.1
82.87330	0.5
83.04986	0.8
83.08614	4.3
85.06529	1.0
91.05459	1.9
93.07031	4.2
95.08598	6.6
97.06519	1.6
97.10160	0.8
105.07012	2.7
107.08596	5.3
109.06516	11.8
109.07197	0.4
109.10165	3.7
111.08062	1.8
113.87791	0.5
119.08575	3.1
121.10143	3.8
123.08058	70.0
123.11707	1.9
124.08392	1.9
125.09594	0.8
131.08568	1.2
133.10138	2.5
135.08029	6.5
135.11670	2.1
137.09616	3.8
137.13290	0.6
145.10112	1.3
147.11685	2.3
149.09616	1.1
149.13258	2.0
151.11197	0.7
159.11697	1.3
161.13280	0.9
165.12759	0.9
165.47377	0.5
167.14345	0.6
173.13213	0.8
179.14285	11.0
186.52391	0.5
275.20102	1.9
289.25214	0.7
293.21078	18.6
294.21674	0.7
307.22589	0.8
331.26358	3.7
349.27341	100.0
350.27625	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.44831	0.4
55.05512	2.4
56.22164	0.4
57.03421	0.4
57.07069	5.7
64.38193	0.3
67.05494	4.4
69.03414	0.4
69.07055	3.7
71.08624	3.1
79.05482	2.6
81.07045	6.3
83.04958	0.4
83.08594	0.9
85.06519	3.0
88.11253	0.6
89.05982	0.5
91.05447	1.5
93.07016	3.2
95.04955	0.8
95.08592	5.6
97.10127	0.7
98.22722	1.3
98.23410	1.3
99.08071	1.6
105.06999	2.0
107.08569	2.5
109.06506	21.7
109.10125	2.2
111.08070	0.8
119.08562	2.6
121.06496	0.5
121.10120	2.2
122.07315	2.0
123.08053	28.7
123.11674	0.7
124.08373	0.8
131.08508	0.5
133.10107	1.7
135.08022	3.7
135.11725	0.4
136.08794	0.4
137.09612	1.0
137.13228	0.4
138.91000	0.4
142.91197	0.4
145.10101	0.5
145.54620	0.4
147.11639	1.1
149.09601	0.7
149.13188	0.5
161.13142	0.5
163.24306	0.4
165.12793	0.6
167.14311	0.7
171.11806	0.4
175.14850	0.4
179.14284	100.0
180.14594	3.7
188.52856	0.4
193.15857	2.5
233.18954	0.6
243.94405	0.5
289.25204	0.6
293.21301	0.9
313.25031	0.5
331.26340	2.6
349.27335	78.9
350.27686	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01861	1.0
55.05508	8.5
55.74400	0.5
57.07059	1.9
58.14140	0.6
59.75870	0.6
67.05503	7.5
69.06712	1.2
69.07063	15.2
71.04982	2.3
71.08606	0.7
73.06561	1.0
79.05484	6.5
81.07043	11.4
83.04980	1.2
83.08146	0.8
83.08600	4.4
85.06526	1.7
91.05463	3.1
93.07034	7.7
95.04945	1.4
95.08591	11.5
97.06530	2.6
97.10172	1.4
98.23459	2.1
99.08096	1.1
105.07008	4.2
107.08588	8.0
109.06502	17.6
109.07216	1.4
109.10141	3.7
111.08076	2.5
119.08570	4.5
121.06444	1.1
121.10123	5.8
122.07270	1.2
123.08055	100.0
123.11692	3.3
124.08405	1.9
125.09624	1.3
131.08569	1.3
133.10106	3.8
135.08051	7.7
135.11676	2.7
136.08827	0.9
137.09578	4.6
137.13196	0.7
145.10120	1.6
147.11691	2.7
149.09607	1.6
149.13231	2.5
151.11165	1.3
159.11703	1.6
161.13332	1.2
163.11186	0.9
164.86752	0.6
167.14229	0.7
173.13217	1.3
177.12770	1.0
179.14282	18.0
193.15836	0.6
201.33583	0.7
203.34641	0.7
233.18965	1.2
275.20093	2.3
279.24078	0.6
289.25385	1.3
293.21066	21.7
294.21393	1.2
307.22891	1.0
331.26053	3.5
349.27338	97.3
350.27612	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	349.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
57.03441	0.8
57.07075	42.6
58.07400	0.6
63.18533	0.6
67.05502	3.6
69.07069	4.6
71.08628	25.8
71.27441	0.5
71.41779	0.5
73.06558	2.8
78.79553	0.6
79.05486	2.9
80.34380	0.6
81.07052	4.1
83.08615	2.5
85.10181	19.7
87.04458	0.9
89.06027	100.0
89.94324	0.7
90.06361	2.1
91.05492	2.7
93.07037	4.0
95.04975	1.2
95.08624	2.6
97.06524	1.1
97.10159	2.5
99.11738	3.1
105.07013	4.2
107.07064	6.9
107.08589	2.6
109.06480	0.8
109.10161	1.6
113.13277	0.9
117.07030	0.9
119.08596	2.1
121.10146	2.5
121.93827	0.5
123.08061	1.6
130.08635	1.5
131.08566	1.4
133.08601	32.7
133.10176	1.9
135.08141	0.6
135.11720	0.8
137.09595	0.7
142.59634	0.5
145.10147	1.9
147.11710	1.1
151.09636	4.6
155.17947	1.1
161.09610	0.7
171.11742	0.6
173.13274	0.8
177.11203	6.0
179.14348	1.6
195.12273	19.4
196.12523	0.9
198.15015	0.6
201.12836	0.6
275.20126	1.2
349.18655	0.5
349.23346	2.6
349.27298	1.0
349.29456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59077	0.9
55.49635	0.7
56.96537	1.2
63.14253	0.7
68.65115	0.8
70.06551	0.9
83.80237	0.8
97.93701	0.8
98.97539	1.7
101.00858	8.6
105.00417	0.7
113.00848	6.7
116.98566	0.8
119.01902	30.6
120.02011	0.8
121.32039	0.7
131.01891	20.2
131.02898	1.2
133.03470	0.8
136.06166	43.0
137.02946	5.8
137.06444	0.8
139.02415	1.6
143.01897	3.1
149.02959	0.9
153.01869	1.0
153.05397	1.2
155.01849	2.3
157.03447	14.0
158.03220	1.3
158.06718	0.8
161.02936	5.2
167.01848	2.8
173.02951	4.8
175.04521	6.4
176.04141	23.6
177.04288	1.5
185.02928	14.8
186.03026	1.0
191.04094	1.1
194.05215	60.0
195.05360	3.3
203.03966	1.9
204.03679	1.7
207.01801	1.3
209.05205	1.8
212.06265	6.7
217.04469	1.3
217.06699	1.3
218.05200	40.3
219.05449	3.6
222.04907	1.8
222.07190	1.0
230.05203	36.9
231.05464	2.9
231.11095	0.9
232.06786	1.5
233.04938	4.0
236.06259	21.0
237.02730	1.3
237.06482	1.3
244.06656	1.0
246.04692	1.5
248.06258	11.4
249.06143	0.9
254.07303	5.0
260.06351	1.6
263.13705	1.1
300.85132	0.8
308.08365	8.8
309.08591	1.6
318.37115	0.7
326.09451	6.9
328.05664	1.0
350.09399	100.0
351.09613	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	350.1344
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03925	1.0
55.01855	0.9
55.05496	0.4
57.03444	2.4
59.04986	0.9
60.04511	0.3
61.02930	2.1
67.05466	0.5
69.03425	8.7
71.01322	1.0
71.04984	2.9
72.68915	0.2
73.02897	1.2
74.60553	0.3
79.05486	0.3
81.03431	1.7
81.07037	0.5
85.02875	0.6
91.05479	1.6
93.07024	0.7
93.07526	0.3
95.04960	0.4
95.08581	0.5
96.04485	0.3
97.02880	0.8
97.06513	0.6
99.04453	1.9
104.04160	0.3
105.07018	1.5
105.29954	0.3
107.08594	0.4
109.02888	0.4
117.05512	0.9
118.06530	4.2
120.08083	1.0
124.07671	0.3
127.03812	0.3
130.06583	0.4
131.06013	0.3
132.06760	0.4
132.08049	1.2
133.06474	0.7
135.11671	0.8
145.07590	14.7
146.08292	1.0
147.09154	21.5
148.09441	0.5
153.12674	0.6
157.07603	0.9
159.09166	10.9
160.09949	1.9
161.09529	0.5
161.10742	0.7
171.09178	0.3
173.07072	1.8
173.10765	1.3
175.08702	1.6
182.08459	0.6
184.09969	0.7
185.10701	3.9
186.11618	0.4
187.08659	1.0
187.12302	1.1
189.10208	1.3
191.08133	100.0
192.08490	2.5
193.08438	0.4
197.10735	1.4
199.08635	1.2
199.12273	1.2
201.10213	0.9
213.10234	1.6
215.08214	0.3
215.11722	1.5
216.07669	9.2
219.11314	0.4
225.10237	1.5
231.11252	0.4
233.09187	0.7
233.12758	0.5
243.11383	0.4
245.09235	0.6
248.08316	0.3
263.13858	6.5
264.14212	0.4
271.10559	0.5
289.11722	2.8
303.52579	0.3
307.12839	48.6
308.13171	2.9
350.13431	39.3
351.13971	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	350.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08131	5.1
65.03917	5.9
69.77513	20.6
79.90566	5.2
85.02898	13.4
95.01780	4.8
111.04421	22.5
138.68434	5.2
139.03888	81.4
149.09839	5.4
171.06517	100.0
274.84143	5.6
276.07492	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	9.2
59.40735	6.2
67.05489	13.1
69.03404	11.9
69.07071	7.6
75.79282	6.2
79.05480	7.9
85.02909	10.3
86.09703	8.5
91.05512	9.2
93.07045	27.4
95.04960	11.3
95.08624	21.7
95.22880	7.1
97.06520	45.1
105.07020	8.7
107.08580	27.7
109.10136	15.3
125.05972	9.5
128.29623	7.7
135.11664	38.7
143.08502	12.3
145.10103	7.7
147.04388	10.1
153.12717	100.0
161.05978	30.4
163.07495	10.4
167.08627	11.6
171.13777	46.4
173.06021	8.2
175.07486	18.8
185.05916	7.5
187.07480	39.3
189.09126	22.5
195.08069	11.5
199.07477	11.2
201.09102	15.1
203.07069	9.4
205.08556	7.6
213.05482	9.3
213.09184	19.4
217.08549	42.2
223.07687	7.8
225.09109	8.4
226.06265	12.5
227.07088	16.2
231.06506	13.8
241.08528	65.9
245.08147	21.2
259.09576	12.4
269.08145	15.9
287.09015	64.8
297.07559	13.3
305.10184	19.2
315.08618	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.5
57.03429	7.6
67.05492	9.4
69.03414	13.9
69.07075	7.5
69.30899	22.3
71.04980	12.9
79.05479	12.1
79.21780	4.3
81.07040	23.1
82.41889	4.8
83.04935	7.2
83.08621	13.5
85.02888	20.5
91.05495	11.1
93.07030	44.5
95.04941	4.5
95.08601	28.2
97.02883	6.1
97.06514	29.6
98.97558	6.5
101.09632	5.3
105.07024	8.3
106.25402	4.6
107.08579	70.3
109.02859	6.1
109.10152	33.1
113.09583	5.6
119.08546	8.7
120.08134	5.3
121.06497	5.8
123.11668	16.8
127.11188	4.9
131.04948	5.4
133.06523	9.1
135.11679	100.0
136.12032	5.8
137.06004	5.3
143.08563	7.0
145.06473	4.7
149.02762	4.2
149.05972	7.0
153.12708	50.7
154.48283	4.4
161.05946	16.2
171.13802	42.7
175.07573	6.5
177.05579	5.3
187.07544	20.0
189.09039	9.1
201.09061	9.6
205.08600	8.1
213.09102	6.4
217.08598	19.5
229.08534	19.2
241.08607	20.0
259.09625	8.8
269.08157	6.8
287.09128	15.1
305.10175	8.7
320.85495	5.2
327.07574	8.1
351.14288	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	9.2
59.40735	6.2
67.05489	13.1
69.03404	11.9
69.07071	7.6
75.79282	6.2
79.05480	7.9
85.02909	10.3
86.09703	8.5
91.05512	9.2
93.07045	27.4
95.04960	11.3
95.08624	21.7
95.22880	7.1
97.06520	45.1
105.07020	8.7
107.08580	27.7
109.10136	15.3
125.05972	9.5
128.29623	7.7
135.11664	38.7
143.08502	12.3
145.10103	7.7
147.04388	10.1
153.12717	100.0
161.05978	30.4
163.07495	10.4
167.08627	11.6
171.13777	46.4
173.06021	8.2
175.07486	18.8
185.05916	7.5
187.07480	39.3
189.09126	22.5
195.08069	11.5
199.07477	11.2
201.09102	15.1
203.07069	9.4
205.08556	7.6
213.05482	9.3
213.09184	19.4
217.08549	42.2
223.07687	7.8
225.09109	8.4
226.06265	12.5
227.07088	16.2
231.06506	13.8
241.08528	65.9
245.08147	21.2
259.09576	12.4
269.08145	15.9
287.09015	64.8
297.07559	13.3
305.10184	19.2
315.08618	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	350.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52923	5.7
55.05502	15.7
57.07074	100.0
67.05491	19.4
69.07062	14.8
71.08627	72.9
71.42067	5.2
79.05499	15.3
80.05793	6.5
81.07043	22.0
83.08605	9.1
85.10175	47.3
89.06020	52.2
91.05460	15.4
93.07034	22.6
95.04969	12.5
95.08584	19.1
95.86742	5.1
96.12968	5.4
97.06544	6.3
97.10196	6.7
99.11745	8.3
105.07001	13.6
107.08569	18.1
109.10153	11.5
119.08580	9.3
121.10150	14.9
122.10477	6.2
124.08347	5.5
131.08572	10.2
133.08609	12.6
133.10219	8.4
134.10416	8.2
135.11464	7.0
145.10114	11.8
146.10480	10.0
151.09671	66.9
169.10269	5.4
179.14377	9.7
180.14659	9.3
185.39896	5.3
278.83588	6.0
291.72409	6.1
303.48593	5.4
333.30081	12.1
350.27582	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41149	2.3
55.52628	2.2
67.38966	2.0
70.80068	4.2
74.55846	1.9
87.82341	2.1
97.78266	1.7
98.23042	3.7
105.53364	2.0
131.56863	2.2
149.83125	2.4
154.85130	2.0
351.06830	100.0
352.07251	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	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19557	2.9
64.80957	3.2
73.52768	3.4
81.03387	4.2
93.28580	3.4
113.27431	3.2
119.01922	15.5
133.03453	4.2
177.02486	4.2
187.00789	3.3
205.01927	7.0
215.00316	4.6
219.03485	6.2
247.02876	5.4
250.05162	3.1
341.38818	3.1
351.06870	100.0
351.12378	10.9
352.07376	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	351.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	20.9
69.03414	1.4
69.11559	2.7
69.11974	0.9
79.20797	0.4
81.03406	1.2
81.15057	0.4
84.96030	3.0
85.02912	0.7
89.03899	1.1
97.96780	0.4
98.97569	100.0
99.04456	0.6
99.97887	0.6
110.97549	8.7
112.99136	1.0
116.98604	48.9
117.03384	0.5
117.98907	0.7
124.99092	0.9
127.00692	0.8
128.98584	11.0
129.02206	0.8
131.00140	1.8
134.99634	16.7
135.04347	0.9
140.00189	0.9
140.98570	1.0
143.00142	4.0
144.98103	1.9
145.01692	1.7
146.99652	5.8
147.03313	2.7
147.04344	0.7
148.68932	0.5
149.01180	1.1
150.99083	0.7
152.98601	1.8
153.00708	1.1
153.01828	2.1
158.01213	1.0
158.99628	34.3
159.38214	0.5
159.99892	0.5
161.01213	4.1
162.99107	0.8
163.02733	1.0
163.03900	4.4
165.04341	2.2
170.99626	5.1
171.03230	2.9
172.94310	0.9
174.97591	0.5
174.99045	0.5
175.02759	0.5
177.00685	34.9
179.02283	0.5
184.00433	0.6
189.00699	10.9
189.02463	1.0
189.04308	9.1
190.95358	0.9
194.97281	0.5
195.01707	2.2
197.01175	0.6
199.02689	0.6
200.02280	0.5
201.00674	2.0
201.04308	0.9
207.01729	13.3
207.05362	1.9
207.36043	0.5
212.98465	0.8
217.03899	0.5
219.01733	15.8
221.02957	0.6
223.02802	0.9
225.02727	0.9
226.98492	0.6
227.02261	2.4
231.01707	6.2
231.05437	1.9
232.96396	1.1
237.02785	23.6
238.03400	0.7
242.03564	0.6
249.02721	3.0
250.97548	1.0
253.00127	1.1
254.98706	0.5
255.03836	3.1
256.96628	0.6
261.02835	1.8
271.01160	1.4
274.97452	1.7
282.97958	0.7
291.07446	26.9
292.07742	1.2
292.98422	0.9
298.95038	0.6
298.98962	0.6
304.98822	0.6
309.08511	63.1
310.08890	2.6
326.96320	0.6
332.10220	1.4
343.15488	0.6
351.09631	27.0
352.10120	1.7
368.97702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
57.03432	6.3
67.05476	0.8
69.03413	0.8
71.43613	0.6
81.03444	0.8
81.07033	0.9
83.04958	2.0
85.02882	0.7
85.06519	1.4
87.60258	0.5
89.07040	0.5
91.05468	0.9
95.04961	0.8
103.05472	0.6
104.78288	0.6
105.07007	1.7
109.06483	0.6
113.06024	2.6
113.12120	0.5
115.05467	1.0
117.07014	0.8
119.04883	0.7
121.58519	0.6
123.04410	1.1
128.06204	2.0
129.06944	1.9
131.04930	1.3
131.08528	0.7
133.06450	1.0
135.04427	1.0
139.05423	0.7
141.06966	1.7
143.04868	1.1
143.08513	1.8
145.06470	0.8
147.04391	1.6
149.05942	0.9
152.06178	2.5
153.06932	2.0
154.07805	0.8
155.08586	0.6
157.06425	1.7
159.07988	0.7
160.05157	1.7
161.05954	5.9
161.09535	0.9
163.03867	1.1
165.06992	1.3
166.07649	0.6
167.08519	4.1
168.05736	0.8
169.06451	1.7
169.51523	0.7
170.06331	1.6
171.04372	1.3
171.06587	1.9
171.08034	2.5
173.05928	3.8
173.09407	0.6
174.06693	0.8
175.03920	1.5
175.07578	3.1
176.04660	2.5
177.05405	2.6
179.08525	1.5
180.05637	0.6
181.06374	2.7
182.07256	1.5
185.05969	2.0
185.09613	1.0
187.07536	2.2
188.07451	0.7
189.05420	8.1
189.07326	0.7
189.09077	7.3
191.03377	1.2
193.04895	1.2
195.08061	4.8
196.05200	0.8
197.05984	3.8
197.09642	2.0
198.06691	1.7
199.03868	0.8
199.07545	3.0
200.04601	1.0
200.08226	0.6
201.05429	1.4
201.09105	2.5
203.03418	0.8
203.07043	1.8
204.07770	9.0
210.06700	1.1
211.07544	1.4
213.05467	7.3
213.09024	7.2
214.06126	0.7
215.07034	2.3
215.10561	0.6
216.04126	0.8
217.05019	0.6
217.08563	13.2
218.09094	0.8
219.06546	1.0
219.10138	0.9
221.04289	1.2
223.07492	2.2
225.09097	3.9
226.06219	6.8
227.06963	2.3
228.07744	1.0
229.04968	1.6
229.08542	2.8
231.06459	1.1
233.08095	0.7
241.05125	3.4
241.08559	100.0
242.05719	0.7
242.06526	0.8
242.08914	5.1
243.10118	1.1
245.08057	10.9
246.08127	0.7
251.06975	2.1
253.08527	2.1
254.05730	1.0
255.06421	1.8
259.09604	3.2
261.11041	0.7
263.09155	0.9
269.08026	9.7
270.08881	0.9
271.09659	7.3
273.07535	3.0
277.10837	1.0
287.09085	17.9
288.09222	1.0
297.07550	6.8
305.10104	5.5
315.08578	13.9
316.08871	1.0
319.12720	1.0
333.09747	4.9
351.10632	9.8
351.14951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71558	0.5
55.01849	0.6
55.05500	0.8
57.03430	5.0
67.05483	0.5
69.03422	0.9
70.02772	0.5
72.46637	0.5
79.05489	0.5
81.07021	0.6
83.04958	1.4
85.06520	1.0
91.05498	1.4
95.04945	1.7
103.05518	0.6
105.07017	1.0
107.04895	0.8
107.94160	0.5
113.06008	2.3
115.05458	1.4
117.07022	0.7
119.04897	0.7
119.08574	0.6
123.04426	1.0
126.05443	0.5
127.03914	0.5
128.06200	1.5
129.06976	1.9
131.04918	1.9
131.08463	0.7
133.06459	0.8
139.05437	0.7
141.06972	1.2
143.04922	0.9
143.08548	2.0
145.06432	1.4
147.04413	2.4
147.08026	1.1
149.05891	1.2
151.03828	0.8
152.06218	2.1
153.06958	1.7
155.08562	1.2
157.06454	1.5
159.08017	1.1
160.05147	2.4
161.05957	8.8
161.09618	0.8
163.03851	1.4
165.07007	1.2
167.03404	0.5
167.08577	4.5
168.05635	0.7
169.06459	1.8
169.10104	1.0
170.07185	0.7
171.07986	2.2
172.07532	0.5
173.05942	3.2
174.06677	0.7
175.03856	1.0
175.07573	3.8
176.04700	2.4
177.05440	2.9
177.06761	0.6
179.08508	1.8
180.05695	0.6
181.06447	2.5
182.07182	1.4
183.04449	0.5
183.08083	0.7
184.05183	0.6
185.05928	2.2
185.09596	0.9
187.07530	2.3
189.05438	8.3
189.07007	0.7
189.07347	0.6
189.09074	8.2
190.09868	0.8
191.03336	1.1
193.04947	1.2
195.04367	0.7
195.08041	5.7
196.08385	0.7
197.05919	4.4
197.09578	1.7
198.06651	1.4
199.03853	0.9
199.07417	3.0
200.04706	1.1
201.05359	1.1
201.09018	2.4
203.03381	1.0
203.06989	3.8
204.07826	9.1
205.04872	0.7
205.06638	0.5
205.08519	0.8
208.05260	0.5
210.06789	1.1
211.07448	1.1
213.05476	6.6
213.08945	6.4
214.06233	0.8
215.07024	2.0
215.10515	0.7
216.04074	0.7
217.05055	0.7
217.08565	12.2
218.09383	0.8
219.06525	1.0
219.10202	1.3
221.04370	2.0
223.03983	0.6
223.07497	2.7
225.09061	4.8
226.06221	7.2
227.06902	2.4
228.07751	0.9
229.08592	2.2
231.06451	2.4
231.10103	0.6
233.08156	0.9
233.11722	0.6
234.96844	1.0
235.09671	0.8
241.05135	3.4
241.08565	100.0
242.08809	4.6
243.10202	2.0
245.08064	10.8
246.07843	1.0
249.07573	0.7
251.07007	2.0
252.07648	0.6
252.97899	1.5
253.08577	2.8
255.06462	1.4
257.07944	0.7
259.07138	0.6
259.09586	3.6
261.11563	0.7
263.09103	0.9
269.08066	11.3
270.08719	1.7
271.09659	8.9
272.09836	0.6
273.07483	4.1
277.10736	1.0
279.08969	0.6
287.09100	23.6
288.09424	1.5
297.07523	8.9
298.07938	0.6
305.10156	7.2
315.08615	17.1
315.12512	0.9
316.08838	1.0
319.12851	0.7
333.09714	6.7
333.14325	1.0
351.10922	10.2
351.15421	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37672	0.4
53.03942	0.5
55.01865	6.0
55.05497	1.6
57.03425	0.9
57.07075	1.2
59.14521	0.5
61.02932	0.7
67.05489	2.5
67.52708	0.6
69.03414	1.3
69.07064	3.6
69.31725	0.9
69.32078	2.9
71.01349	0.8
71.04986	2.6
71.08627	1.0
73.02903	1.6
79.05475	3.0
79.76842	0.5
81.03389	2.5
81.07040	4.4
83.04974	0.8
85.02887	0.8
85.06529	1.1
87.00869	0.5
89.06026	0.9
91.05473	18.1
91.06049	0.9
93.07051	1.3
95.04961	0.8
95.08593	1.9
97.02879	3.8
97.06520	10.0
99.04443	1.0
101.02350	1.1
105.07027	0.8
109.02824	0.6
109.06533	1.0
111.08070	3.6
113.02342	0.6
115.07579	1.6
117.07001	1.5
123.04394	1.0
123.08047	2.0
125.06006	2.2
127.03872	2.0
127.07550	7.2
137.09576	2.9
138.67366	0.7
139.07539	2.9
141.09117	1.1
143.07066	0.6
147.08040	100.0
147.09114	7.3
148.08382	3.2
151.07491	4.8
151.09598	1.4
165.09065	3.8
169.08559	6.9
187.09677	0.7
245.50069	0.5
333.16919	1.2
351.17395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99338	11.2
55.05483	16.5
56.96554	96.2
65.83077	15.9
65.85220	12.4
67.05495	29.2
69.07058	19.3
69.09737	97.3
71.92522	13.6
79.05476	25.6
80.94846	20.4
81.07037	35.3
91.05470	37.7
93.07028	34.9
95.04983	17.4
95.08586	26.2
105.07024	15.9
107.08556	21.9
109.30164	10.9
110.51889	10.9
119.08555	25.0
121.10139	23.6
131.57550	13.6
133.10149	25.0
135.11595	12.8
145.10127	17.9
147.11662	31.0
149.13222	19.4
175.14827	24.3
199.06364	17.5
213.08038	36.8
214.29652	12.2
217.07401	36.2
229.05437	17.7
229.07443	100.0
231.09071	36.1
243.09084	16.1
246.56801	11.6
247.08496	74.3
255.08826	18.2
259.20599	34.9
333.17352	22.3
351.18494	97.6
351.25287	42.0
369.19315	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	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
70.21883	1.0
70.93732	0.5
71.38993	0.4
79.05485	0.7
80.94867	0.5
81.07063	0.6
81.63100	0.4
91.05464	1.0
93.07004	1.1
94.44201	0.4
98.23094	1.1
105.07024	0.6
106.07237	0.5
107.08589	0.8
119.08569	0.8
123.04010	0.4
133.10193	0.4
175.76826	0.4
216.65216	0.5
241.19576	0.6
259.07501	0.5
259.20660	0.9
351.21381	100.0
352.21716	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
152.51086	0.9
163.57655	0.7
239.00233	0.8
253.77068	0.9
311.38904	0.8
351.21399	100.0
352.21753	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20161	1.5
53.03946	3.2
55.01868	2.4
55.05505	15.7
57.03431	6.4
57.07064	2.1
65.03942	2.7
67.05157	3.5
67.05500	51.3
69.07065	14.7
71.04967	3.0
71.08617	2.6
75.04491	2.1
77.03915	2.1
77.52274	1.6
79.05491	65.2
80.05831	1.8
81.07054	51.9
82.07383	2.7
83.04976	2.8
83.08612	9.4
85.06523	4.6
89.42070	1.9
91.05476	55.6
93.06448	4.0
93.07040	80.5
94.07380	3.7
95.04974	9.4
95.08600	30.7
96.08904	2.4
97.06512	3.9
97.10183	2.8
99.08095	7.3
105.04521	2.7
105.07027	64.0
106.07368	2.3
107.04970	3.2
107.08591	40.3
108.08948	2.0
109.06512	3.8
109.10162	11.9
113.09642	2.3
117.07003	12.9
119.03204	1.8
119.08584	55.3
120.08894	3.4
121.10149	29.5
123.08098	3.9
123.11658	3.3
129.07011	9.7
131.08554	21.4
133.10121	45.9
133.11148	2.2
134.10422	2.7
135.11691	33.7
137.13168	1.8
143.08530	13.1
145.10124	24.3
146.19781	2.0
147.11688	49.3
149.13260	20.9
151.11203	4.7
157.10139	11.7
159.11693	20.7
160.12096	1.9
161.13252	43.7
163.11186	3.3
163.14835	5.2
171.11703	13.6
173.13226	13.4
175.14845	17.7
177.12743	3.8
179.14287	2.1
185.13223	13.0
187.14717	3.2
189.12758	3.6
199.14844	7.0
203.14256	1.9
213.16377	5.9
217.15869	3.2
217.19507	3.2
231.17453	3.7
231.21071	7.5
241.19493	29.4
259.20566	100.0
260.20847	3.6
277.21570	6.9
333.23895	2.4
351.21677	2.2
351.25259	57.0
352.25327	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.2
55.05510	43.9
56.96579	4.4
57.03439	20.7
57.07071	10.7
66.49781	2.8
67.05499	92.4
68.24874	3.1
69.07073	30.6
71.08626	32.6
79.05485	68.4
81.03410	6.3
81.07048	97.7
83.04969	8.6
83.08607	24.0
85.06533	4.3
91.05466	57.3
91.37144	3.0
93.07034	80.1
95.04977	16.2
95.08600	70.3
95.57613	3.3
97.06536	10.6
97.10182	11.0
98.23502	8.0
99.08098	24.2
105.04470	3.4
105.07024	55.3
105.32745	3.4
107.04997	6.2
107.08583	45.8
108.08945	4.1
109.06494	11.4
109.10130	27.9
111.08050	6.7
114.65320	3.5
117.07012	10.3
119.08566	45.2
121.10119	22.6
123.08068	5.0
123.11687	10.7
125.09648	6.0
129.07025	7.1
131.08566	14.4
133.10106	38.8
135.11687	23.1
137.05977	15.4
137.09639	9.3
137.13222	7.7
139.11113	5.1
143.08578	9.7
145.10135	10.6
147.11710	37.6
149.13228	26.0
151.11192	14.1
157.10133	6.6
159.11635	8.4
161.13254	37.4
163.11153	13.1
163.14799	8.9
165.12709	6.1
165.16437	3.6
167.14328	3.7
168.03197	3.9
171.11702	10.1
173.13237	8.1
175.14806	16.8
179.14243	9.7
185.13225	8.4
199.06361	3.5
199.14847	6.2
211.38487	3.3
217.19426	5.4
231.21036	12.4
234.21790	3.5
241.19487	17.1
246.20189	3.2
249.22121	6.1
252.24126	3.1
258.92645	3.7
259.08688	6.8
259.20566	44.0
271.14154	3.3
275.73776	3.2
277.21555	43.1
278.21799	4.3
348.97549	3.3
351.18259	14.0
351.22037	5.0
351.25253	100.0
352.25546	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.4
56.96559	10.2
57.03435	9.4
57.07058	4.5
63.50308	4.3
67.05501	49.0
67.56094	2.9
68.72806	3.1
69.07063	15.2
70.39711	5.5
75.14867	2.8
79.05488	73.7
81.06574	4.3
81.07052	62.7
83.08617	8.1
91.05476	51.6
93.07034	92.4
95.04971	11.8
95.08601	42.3
97.06552	6.5
97.10169	5.5
98.22853	5.6
99.01162	3.5
99.05442	3.3
99.08151	4.2
105.07018	63.3
105.60641	3.0
107.08588	54.0
109.06521	5.4
109.10156	18.9
111.08046	4.7
111.26298	3.0
117.07030	17.8
119.08579	50.4
121.10143	45.1
129.07005	8.9
131.08568	14.7
133.10114	45.9
135.08037	3.8
135.11673	45.5
136.23273	3.4
137.09610	3.8
143.08574	8.8
145.10129	27.0
147.11670	53.1
149.13243	29.1
151.11115	4.5
157.10115	11.5
159.11745	16.8
161.13216	38.0
163.11272	6.2
163.14824	6.6
171.11746	16.2
173.13274	11.5
175.14803	17.9
185.13292	14.9
187.14845	7.1
199.14821	5.2
213.16269	5.2
231.17415	3.6
231.21114	8.1
241.19438	31.9
259.20569	100.0
260.20828	7.0
263.12561	6.4
277.21625	12.8
304.21280	3.8
333.17410	8.9
333.24249	5.0
351.18488	25.3
351.25253	77.2
352.25543	6.5
369.19232	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.4
55.05506	30.9
57.03434	48.2
57.07068	3.6
65.03912	3.5
66.73858	3.1
67.05157	5.7
67.05494	71.4
69.07053	30.3
69.73896	4.8
71.04974	5.5
77.03928	3.3
79.05482	79.1
80.05834	3.9
80.94833	3.6
81.07047	89.4
83.04957	5.7
83.08598	16.8
85.06509	8.0
91.05466	54.9
93.07031	100.0
95.04962	14.6
95.08598	60.6
96.08902	3.0
97.06516	7.2
97.10168	4.1
98.22632	2.9
99.08073	6.2
105.04524	4.4
105.07008	53.8
107.07917	5.3
107.08586	60.4
109.06525	6.8
109.10143	20.9
111.08032	4.3
117.07024	15.5
119.08573	51.6
121.10121	52.6
123.07998	4.2
123.11674	6.6
129.06981	5.1
131.08571	28.2
133.10117	45.3
135.11670	43.2
137.09586	3.2
137.13193	2.9
143.08513	7.2
145.10117	23.4
147.11658	42.3
148.11906	3.2
149.13252	22.2
157.10132	8.4
159.11682	19.0
161.13240	26.7
163.11168	4.9
163.14745	7.3
165.12741	3.7
171.11653	11.5
173.13255	9.8
175.14752	7.7
185.13203	15.0
187.14734	9.9
199.14772	6.8
221.18912	4.2
231.21031	5.4
241.19513	24.0
259.20529	60.5
260.20892	5.9
277.21548	25.2
278.22070	3.5
306.21454	4.8
333.24249	8.4
351.21243	9.1
351.25177	77.3
352.25555	3.1
352.91571	2.8
369.19189	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.9
55.05505	34.8
57.02129	4.6
57.03426	25.1
57.07057	9.0
58.02122	4.1
65.03946	4.3
67.05156	6.6
67.05501	100.0
69.07063	24.8
70.02784	3.6
71.04985	6.9
71.08622	53.7
79.05489	73.0
81.03407	6.8
81.07052	97.0
83.04964	13.2
83.08604	19.5
85.06535	8.8
86.41491	4.3
91.05468	54.1
93.07032	93.7
95.04964	22.3
95.08594	64.9
97.06513	8.7
97.10156	9.7
99.08099	36.7
105.07016	49.7
107.04939	8.0
107.08590	59.2
109.06519	8.5
109.10139	36.4
110.10477	3.8
117.07027	10.3
119.08567	42.2
120.50974	4.3
121.10114	50.0
123.11692	6.0
125.09614	10.0
129.06979	8.3
131.08545	13.4
133.10098	30.4
135.11678	44.1
137.09598	5.6
143.08517	4.7
145.10155	9.3
147.11723	23.4
149.13269	28.2
151.11163	19.5
157.09956	5.6
159.11664	11.6
161.13219	25.0
163.11139	8.3
163.14777	9.3
165.12717	7.1
171.11583	5.9
173.13127	4.8
174.10698	4.4
175.14771	7.7
177.12643	7.6
179.14276	92.3
185.13181	5.9
189.11235	6.6
189.12787	5.0
213.16472	5.6
221.15295	6.2
235.16837	7.5
241.19507	11.3
259.20584	29.3
277.21552	44.2
333.72299	4.4
351.18234	5.5
351.21460	6.9
351.25192	59.4
352.25272	5.5
369.19501	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.2
53.03941	3.7
55.05505	21.2
57.03431	9.0
57.07065	2.9
63.01997	1.1
65.03939	2.2
67.05497	51.4
69.07059	20.3
69.29570	6.5
70.66941	1.5
71.04983	2.8
71.08617	3.0
71.29593	1.5
75.04449	2.2
77.03935	2.7
79.05484	76.7
80.05816	2.4
81.07047	63.1
82.07375	1.9
83.04963	3.7
83.08601	8.3
85.06541	5.3
91.05467	57.5
92.05803	3.1
93.07034	99.7
94.07379	2.4
95.04972	8.5
95.08592	39.3
96.08919	1.4
97.06509	2.4
97.10149	3.1
99.08080	6.2
105.04517	2.7
105.07015	61.2
107.07851	2.5
107.08582	53.1
108.08929	1.8
109.06535	2.3
109.10126	15.4
111.08112	1.7
113.09602	1.7
115.05413	2.1
117.06989	14.7
119.08565	57.4
121.10128	45.6
121.10991	3.0
122.10437	1.3
123.08064	4.0
123.11707	4.7
128.06276	1.8
128.58282	1.3
129.06956	7.2
131.08556	22.4
133.10118	54.9
133.11140	2.9
135.08003	2.5
135.11681	48.9
136.12039	1.6
137.09621	1.4
137.90353	1.5
140.69417	1.4
142.07735	1.8
143.08568	8.1
145.10114	23.2
147.11667	56.1
148.11996	2.2
149.09610	3.9
149.13239	27.5
157.10092	9.3
159.11670	17.8
161.11911	2.0
161.13242	39.2
162.13625	1.5
163.11110	3.3
163.14781	9.5
171.11638	14.1
173.13246	12.8
173.14587	2.0
175.11206	1.9
175.14793	21.7
177.12733	3.6
177.16432	2.0
179.14313	3.3
185.13228	14.9
187.14790	3.0
189.12761	4.0
189.16360	2.0
191.14452	1.6
199.14774	9.3
200.15402	1.5
201.16539	1.8
203.14290	1.9
209.15266	1.3
213.16376	5.3
215.17993	1.8
217.19518	3.2
231.17406	2.5
231.21027	9.4
241.19504	41.3
242.19879	2.7
259.20554	100.0
260.20929	6.5
277.21573	17.7
320.18396	1.3
333.24133	10.5
351.25244	69.1
352.25726	6.7
358.94385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01851	1.8
55.05508	15.8
57.03423	5.3
57.07064	3.5
67.05497	40.8
67.48360	1.4
69.07067	13.7
70.69251	2.5
75.04459	1.8
77.03931	2.9
78.43592	1.7
79.05481	59.5
81.07047	53.2
81.07505	3.6
83.08600	6.0
85.06535	2.5
87.89889	1.9
91.05016	1.3
91.05469	59.9
93.07034	71.1
95.04946	8.2
95.08595	31.1
97.06525	3.0
97.10153	2.9
98.22809	1.8
99.08099	2.8
105.04479	2.1
105.07019	65.5
105.07737	3.3
106.07365	1.8
107.08583	48.6
109.06541	2.9
109.10142	9.8
111.08073	1.8
117.06998	11.2
119.07742	3.2
119.08566	49.9
121.10130	30.8
129.06992	6.9
129.74879	1.6
131.08539	25.6
133.10114	52.7
134.10460	2.6
135.11679	35.7
143.08546	12.1
145.10109	21.9
147.11668	49.4
149.09540	2.9
149.13249	22.3
151.11169	2.0
157.10139	7.9
159.11679	21.1
161.09601	2.1
161.13234	38.3
162.13625	2.3
163.14809	6.5
171.11694	11.8
173.13220	13.1
175.11201	2.5
175.14783	13.7
177.12724	3.1
185.13237	12.7
187.14841	2.1
199.14798	8.3
213.16405	6.5
231.17371	3.1
231.21077	8.7
241.19533	25.7
242.19855	3.3
259.20554	100.0
260.20862	6.2
264.01468	1.6
277.21518	3.4
351.25232	48.4
352.25586	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01867	2.8
55.05510	15.5
57.03438	7.6
57.07060	3.4
61.10445	1.2
62.13300	1.4
65.03928	2.3
67.05498	50.2
68.05824	1.2
69.07064	13.8
70.34016	2.8
71.04979	3.7
75.04466	2.2
77.03903	1.9
79.05486	60.6
81.07052	61.6
82.07374	2.2
83.04979	2.6
83.08594	7.4
85.06522	4.2
89.33092	1.4
91.05469	49.0
93.07040	84.1
95.04961	8.9
95.08601	36.5
97.06509	3.8
97.10163	3.2
99.08083	5.0
105.04526	2.7
105.07018	54.4
107.08588	52.3
109.06516	4.2
109.10143	15.8
111.04437	1.7
111.08051	2.4
117.07034	11.8
119.08574	52.2
121.10132	39.5
123.08089	2.7
123.11707	4.0
129.07018	8.0
131.08556	19.7
132.23508	1.6
133.10124	51.7
133.11154	2.5
135.08031	3.1
135.11687	45.7
136.11972	1.3
137.05939	12.1
137.09589	2.3
143.08539	10.1
145.10114	20.6
147.08044	1.6
147.11671	50.6
149.09593	2.4
149.13243	29.8
157.10132	9.0
159.11676	17.2
161.09583	2.4
161.13248	44.8
162.13594	1.6
163.11165	3.5
163.14803	8.5
166.58067	1.4
171.11681	13.4
173.13275	11.4
175.11165	3.9
175.14821	19.5
177.12758	3.0
185.13252	12.2
187.14775	5.0
189.12737	3.1
199.14827	7.8
203.14442	1.6
213.16362	4.0
215.18024	2.8
217.15982	2.0
217.19539	4.5
221.15509	1.7
231.17386	5.1
231.21136	6.3
241.19507	37.6
259.20557	100.0
260.20840	5.6
277.17996	4.5
277.21609	16.3
288.47208	1.4
333.24530	7.5
334.24670	1.5
351.21851	2.7
351.25266	62.6
352.21503	1.6
352.25595	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	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.7
57.03438	7.6
59.09904	5.1
61.02919	8.7
67.05482	7.5
69.03416	39.7
69.07065	86.3
69.80389	18.7
70.09981	5.4
71.04984	7.1
72.08160	11.5
72.90694	5.4
73.02908	9.1
81.03413	41.9
85.02897	93.3
85.06558	5.5
86.09711	9.3
87.00827	55.8
89.59094	4.7
91.05547	5.4
95.08607	5.4
97.02890	78.8
99.04446	20.7
105.01852	100.0
107.08554	5.8
107.48769	5.1
109.02886	19.7
120.08078	7.8
125.60446	4.5
127.03914	90.5
136.06154	15.7
145.04944	77.8
155.10669	13.3
159.02847	11.7
173.09677	7.1
220.11899	14.4
231.05045	31.5
242.08939	6.7
248.23526	5.3
249.06055	17.0
270.08102	6.3
288.09271	6.0
335.12650	5.7
352.14401	7.8
353.15976	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	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.7
55.01856	11.9
57.03421	5.6
61.02901	6.7
68.54950	3.5
69.03423	35.5
69.06716	5.0
69.07066	71.6
69.59159	14.7
71.04965	8.3
73.02898	6.6
81.03417	24.1
81.07047	8.2
82.00433	3.9
85.02402	6.5
85.02901	100.0
86.09684	4.2
87.00822	52.4
97.02888	55.8
99.04443	14.5
104.77895	3.2
105.01861	77.6
109.02859	26.8
111.08062	8.1
127.03909	92.4
140.02242	4.0
142.74881	4.1
145.04951	56.9
153.09106	4.3
159.02867	18.5
161.04459	5.4
171.02838	4.4
177.09033	7.4
189.81065	3.8
195.10089	9.3
212.47961	4.7
231.05000	27.8
246.00081	4.4
249.06062	8.6
335.56589	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	352.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54236	4.9
53.03934	5.9
55.01860	7.8
57.03426	7.2
61.02913	9.1
67.05485	8.0
67.62359	5.5
69.03421	49.0
69.07065	41.8
69.27236	19.5
69.27646	11.9
71.04998	10.1
73.02906	5.9
81.03405	24.9
85.02898	91.3
87.00824	39.3
93.94296	4.3
95.04955	12.4
95.08602	5.0
95.46635	4.8
97.02869	53.1
99.04451	16.1
105.01862	67.5
106.02895	7.7
109.02857	29.0
119.14240	4.8
120.64513	4.8
124.03929	12.3
127.03898	100.0
127.07513	5.2
128.15616	4.6
145.04958	51.6
155.06987	15.1
155.10670	15.3
159.02785	6.5
171.02950	5.6
176.64342	5.4
202.09560	6.6
231.04977	36.4
249.06067	24.9
250.06926	8.2
352.14850	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	352.1611
Annotation	trans-Zeatin riboside
Peak:m/z	Relative Intensity
55.01855	1.0
57.03437	2.2
61.02916	0.5
61.45693	0.3
67.05491	0.9
69.03415	1.4
70.06588	0.4
70.42950	0.3
71.01340	1.0
71.11257	0.3
73.02905	1.0
74.45600	0.4
85.02886	1.4
86.09719	0.3
91.05444	0.6
95.08588	0.7
97.02895	0.4
107.44243	0.3
109.10165	0.4
115.03904	0.3
119.03523	1.3
119.08560	0.7
120.08057	0.3
136.06166	100.0
137.04562	0.6
137.06613	1.7
137.09575	1.5
148.06163	8.0
155.10629	1.5
159.06683	0.7
161.05954	0.4
166.93140	0.4
173.11714	0.6
185.08208	3.6
186.08571	0.4
193.09778	0.6
202.10857	9.1
220.11903	95.1
221.12228	3.0
342.13440	0.4
352.16092	34.9
353.16367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0841
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
51.80978	3.0
56.96532	3.7
59.10620	3.2
62.62999	2.7
69.79721	9.4
69.80077	5.6
83.59971	3.2
90.35944	2.7
94.85178	2.9
94.92979	4.3
98.22836	6.6
98.97589	4.1
103.58848	3.2
112.89604	8.4
133.13367	3.1
145.11929	2.9
158.99600	3.2
186.66872	3.1
232.99684	5.1
274.15836	3.1
314.69647	3.1
353.08414	100.0
354.08740	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	353.1018
Annotation	Negundin A
Peak:m/z	Relative Intensity
52.86484	1.1
62.97164	1.2
67.05509	2.8
69.07082	1.1
69.72632	2.1
69.72963	1.9
79.05482	2.7
81.07031	3.2
91.05441	1.7
93.07024	3.1
95.08601	2.9
98.22889	2.8
98.23450	1.2
109.18782	1.3
128.20036	1.2
135.11722	1.6
152.06227	1.8
166.07684	1.4
177.07030	1.5
178.07741	5.1
179.08441	1.3
189.06973	5.0
190.07718	1.6
191.08514	1.8
194.07162	2.3
195.08073	3.2
205.06509	8.1
206.07257	9.2
207.08014	2.5
209.09552	1.7
217.06483	1.9
218.07214	4.1
219.08043	4.7
220.08727	1.3
221.05901	2.5
221.09538	2.8
222.06735	4.2
223.07445	6.0
231.08144	1.2
233.05962	5.1
234.06694	15.3
235.07501	6.1
236.08185	1.3
237.09088	7.5
238.09793	1.6
239.07027	1.5
246.06706	1.9
247.07515	3.6
249.05405	3.5
249.09070	10.9
250.06247	5.2
250.09193	1.1
251.06927	7.5
259.08563	1.4
260.21368	1.4
261.05435	2.2
262.06253	5.4
263.06985	7.0
264.07758	4.0
265.08591	11.0
266.09384	3.3
267.06403	1.7
270.08780	1.4
276.07806	1.6
277.05243	2.6
277.08575	12.1
278.05679	2.4
279.06458	2.2
281.08093	2.2
282.08926	1.7
292.07153	4.6
293.08078	9.7
294.08759	1.8
297.11139	1.2
303.06863	1.5
307.09653	7.5
309.07712	1.3
309.11133	2.3
310.08246	4.0
321.07532	7.6
325.10663	18.2
338.07602	1.9
352.31992	1.5
353.10153	100.0
354.10449	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	353.1017
Annotation	Negundin A
Peak:m/z	Relative Intensity
53.50922	1.0
55.01860	3.2
55.87941	1.1
67.05486	2.6
69.16447	6.2
73.72321	1.1
79.05473	1.4
81.07049	1.8
91.05465	2.8
95.04973	2.1
95.08645	1.2
95.09415	1.0
98.23444	1.9
100.69366	1.1
115.05413	1.8
116.98628	1.3
121.02837	2.9
122.12872	1.0
130.04118	1.1
130.92879	1.2
131.04942	1.2
133.10143	1.4
137.05986	1.4
151.03935	3.8
152.06152	1.3
153.06989	3.4
165.06989	16.9
166.07677	3.6
167.07011	1.2
167.08511	2.0
168.05609	1.6
169.06375	1.7
173.05899	1.4
177.06987	4.2
178.07799	7.3
179.08568	4.7
181.06500	6.0
182.07176	1.3
183.08043	4.5
189.06970	2.5
191.07002	1.8
191.08545	1.6
193.06531	4.2
194.07268	23.0
195.07945	4.4
197.06053	1.3
199.07585	3.1
203.08562	2.4
205.06409	6.4
206.07239	3.6
207.08052	4.3
208.08823	1.9
209.05984	3.0
209.09546	1.9
210.06587	2.6
211.07516	16.8
212.07951	1.2
215.08479	1.9
218.07257	3.9
219.08041	2.3
221.05959	5.5
222.06754	12.1
223.07523	6.2
224.08267	4.9
225.08980	3.2
226.09836	3.2
233.05937	1.3
233.09656	3.7
234.06769	6.3
235.07506	5.4
236.08226	3.4
237.09122	26.1
238.06142	2.6
238.09410	2.2
239.07021	15.7
246.06789	1.7
247.07515	3.7
248.08336	1.2
249.05608	1.3
249.09039	2.4
250.06247	3.9
251.06912	2.3
252.07808	5.4
253.08609	7.2
254.09271	3.4
261.09149	5.9
262.06204	1.9
262.09680	1.3
263.06955	4.8
264.07733	4.0
265.08563	28.6
266.09290	3.5
267.06561	13.7
275.07211	1.3
275.10706	1.7
277.08548	5.3
278.09311	3.2
279.06638	2.0
279.09811	2.7
280.07251	4.5
281.08017	3.5
282.08884	14.4
289.08664	3.0
290.09171	1.7
292.07413	2.3
293.08032	23.7
293.11609	5.5
294.08630	2.8
295.05954	7.6
295.09006	1.4
296.10596	2.5
297.11133	4.3
306.08917	2.1
307.09521	6.4
308.06750	2.7
309.07489	1.7
310.08350	13.0
321.11246	9.1
322.11798	2.2
323.09094	3.2
325.10687	23.4
326.10934	1.7
335.08896	2.1
338.07831	1.7
338.11334	1.8
353.10114	100.0
353.13870	16.0
353.22812	11.3
354.10635	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1231
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
55.01864	11.2
55.05495	6.9
57.03430	10.1
59.40357	3.8
67.05506	5.3
69.03419	9.8
69.07059	22.5
73.06536	7.2
79.05485	9.7
80.87242	3.6
81.03392	8.8
81.07029	6.7
83.04971	5.7
91.05477	12.2
93.07043	12.3
95.04932	4.1
95.08630	5.2
97.02853	4.8
97.06526	55.6
103.05438	7.7
105.06963	7.7
107.04940	4.5
107.08575	11.1
109.02867	7.7
109.06485	4.6
111.05491	3.7
111.08082	3.6
115.07549	7.0
117.06992	6.6
119.05003	3.9
119.08601	5.0
121.10091	6.0
123.04413	20.1
127.03944	4.8
128.06197	4.7
129.07004	10.7
131.04895	12.1
131.08549	7.3
135.11679	4.7
137.05980	4.0
141.06976	9.2
142.07736	4.9
143.04845	4.3
143.08542	5.1
145.06491	7.5
145.10103	12.5
147.04433	12.0
149.05965	13.6
151.03911	7.3
152.06250	3.9
153.06955	10.3
154.07764	6.5
155.08493	17.1
157.06461	5.1
157.10078	4.7
159.04410	5.8
159.08058	12.5
160.05185	5.2
161.05980	18.6
163.03911	7.9
163.11237	4.9
165.06956	9.3
166.07771	8.3
167.08540	5.7
167.89154	4.1
169.06491	10.2
169.10115	17.1
171.08032	6.3
173.05980	19.5
173.09631	6.8
174.06754	10.7
175.03885	14.2
175.07539	28.6
177.05444	29.3
179.08594	19.5
181.06416	4.1
181.10092	12.2
182.07222	7.7
183.07999	29.6
185.05977	10.4
185.09506	9.4
186.06693	6.1
187.07549	41.1
189.05458	26.4
189.09073	12.9
191.06976	6.7
191.10666	7.8
191.14221	4.6
193.04935	23.9
193.06448	4.2
194.07201	6.3
195.08090	3.8
197.05949	10.8
197.09523	19.7
197.13271	21.0
199.07462	18.7
199.11253	4.7
200.08273	7.6
201.05383	4.3
201.09084	97.7
202.09500	7.4
203.03334	12.3
203.06937	6.3
203.10699	4.5
205.04826	4.4
207.08043	21.6
209.09653	22.2
210.06691	15.0
211.07506	29.2
213.05431	5.1
213.09077	5.1
214.06181	6.2
215.06989	8.4
215.10641	41.0
217.04982	6.7
217.08525	12.9
219.10121	31.4
220.10489	5.4
221.04520	10.3
225.09085	100.0
226.09477	8.6
227.06921	6.1
227.10669	5.7
229.08580	43.2
237.09065	14.1
239.07072	4.5
242.05446	4.4
243.10147	63.4
245.08113	29.1
245.11703	8.7
247.09641	6.1
253.08600	42.6
254.09250	13.5
255.10040	10.6
257.08167	6.3
261.11282	7.9
263.06754	5.3
271.09653	70.2
272.10028	4.8
273.07626	10.4
281.08090	19.3
289.07755	5.2
289.10696	71.5
291.08542	8.1
299.09155	33.2
307.11935	25.9
317.10175	24.0
335.11209	43.4
353.11804	7.9
353.15485	30.2
353.20926	15.4
374.64682	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	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.9
66.04247	0.2
67.05496	0.2
69.55476	0.8
77.03905	0.3
79.05481	2.5
91.05470	63.4
92.05798	1.6
95.04945	0.4
98.22684	0.3
98.23335	0.4
107.00478	1.5
108.01260	8.2
126.02324	0.8
138.03255	0.2
149.03972	0.3
152.06139	0.4
155.08545	0.2
183.03572	11.0
184.04333	2.8
185.05138	5.5
190.85356	0.2
201.04652	0.6
202.05420	0.4
219.05693	0.4
222.78491	0.2
261.08255	10.4
262.09018	13.8
263.09445	0.8
265.08337	0.2
293.07339	1.1
294.07986	7.2
294.11298	0.4
295.08456	0.4
321.89081	0.2
353.14478	100.0
353.23056	4.1
354.14801	8.4
354.22470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30011	1.2
55.05494	1.8
57.03407	1.6
57.98730	1.1
67.05509	2.6
69.03419	18.0
69.07067	14.7
70.85138	1.5
71.04978	2.0
79.05492	2.4
81.03412	3.4
81.07049	4.7
83.04993	3.1
85.02901	11.8
88.77011	1.1
91.05459	5.9
93.07038	4.6
95.08609	5.7
97.02872	3.9
97.06548	1.8
99.04487	1.7
100.80041	1.1
105.07026	3.3
107.08578	9.7
109.02879	1.8
109.06499	3.2
111.08097	5.2
119.08569	5.5
121.06511	2.5
121.10132	5.9
123.08061	4.7
127.03912	2.8
131.08551	8.5
133.10097	7.4
135.08038	14.5
135.11696	2.5
145.04921	1.1
145.10078	2.6
147.11690	2.5
149.09622	8.0
149.13231	2.8
158.10909	3.6
161.09634	1.3
163.14810	4.0
173.13240	16.3
189.12714	1.1
191.14294	100.0
192.14647	4.4
196.86592	1.1
353.19611	10.9
354.19452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74794	0.5
50.79300	0.5
53.03941	1.5
55.01860	1.0
55.05499	2.7
56.17546	0.6
57.03442	2.6
57.07073	0.7
57.70186	0.6
59.05001	0.7
61.02903	1.5
67.05498	2.8
69.03067	1.1
69.03426	18.8
69.07063	15.6
71.04987	1.8
73.02901	1.5
79.05499	3.0
81.03419	3.6
81.07047	6.1
83.04983	3.2
83.08611	1.4
85.02403	1.1
85.02898	16.5
85.06525	0.8
86.03207	0.8
87.00831	1.0
87.04469	1.3
91.05464	3.4
93.07028	4.7
94.21902	0.5
95.04929	1.7
95.08595	7.9
97.02885	4.1
97.06516	2.7
99.04457	1.7
99.08042	0.6
103.03931	0.6
105.01835	1.3
105.07021	5.7
107.04925	0.6
107.08584	11.4
109.02855	2.0
109.06516	3.3
109.10126	1.0
111.08083	5.8
115.05483	0.7
117.07023	1.2
119.08554	5.8
121.06464	2.7
121.10133	6.2
123.08047	4.2
124.47761	0.6
127.03884	4.8
128.04269	0.9
128.06172	0.6
129.06981	1.0
131.08563	8.5
133.06433	0.8
133.10123	7.3
135.08038	17.0
135.11668	3.5
137.09570	1.2
143.08533	1.9
144.09332	0.7
145.04962	1.1
145.06444	0.7
145.10110	4.2
147.11674	3.0
149.09604	5.3
149.13252	2.2
158.10931	3.9
159.00525	4.6
161.06042	0.7
163.11165	0.9
163.14850	3.7
171.11597	0.5
173.13242	16.4
174.13528	0.8
175.07558	1.6
175.14810	1.5
176.11914	0.7
185.04198	1.2
187.07544	1.3
189.09142	0.7
191.03232	0.7
191.14291	100.0
192.14645	6.2
197.09500	0.6
201.09093	2.4
211.07492	0.7
215.10698	0.8
219.10066	0.6
225.09103	1.3
229.08614	1.0
231.09009	0.5
233.00847	0.7
245.08118	0.5
245.44200	0.5
245.83179	0.5
271.09555	2.1
289.10739	0.9
321.05780	21.7
322.06152	1.5
335.18491	0.9
335.58420	0.6
353.08493	7.1
353.15549	3.0
353.19577	8.8
354.08707	0.7
354.19815	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2108
Annotation	Apo-8'-bixinal
Peak:m/z	Relative Intensity
52.67611	0.4
55.01859	0.6
55.05507	2.2
57.03419	0.5
65.03927	0.7
67.05500	2.4
69.03414	0.9
69.07069	1.1
70.42831	0.4
79.05490	2.9
81.03403	0.7
81.07047	3.4
83.04956	0.4
85.02856	0.5
91.05473	4.4
93.07039	3.0
95.04940	1.5
95.08608	2.5
97.06521	0.8
98.22825	2.6
98.23519	0.7
99.04440	0.7
103.05496	0.5
105.07017	8.1
106.93650	0.5
107.04941	0.8
107.08590	2.3
109.06509	2.5
109.10137	0.8
115.05453	0.7
117.07011	2.5
119.08581	4.5
121.06469	1.7
121.10098	1.1
123.04385	0.5
123.08054	4.3
128.06215	2.3
129.07005	3.4
130.07719	0.5
131.08598	3.0
133.10104	2.3
135.08020	0.8
137.05991	1.0
141.06972	3.8
142.07790	2.6
143.08530	6.1
144.09248	1.0
145.06503	0.6
145.10147	2.8
147.08051	2.2
147.11584	1.0
149.09616	0.8
153.07004	3.0
154.07736	2.0
155.08534	12.7
156.09398	3.1
157.10132	4.8
159.08069	2.3
159.11687	4.1
161.09619	1.1
165.06973	1.8
166.07748	0.6
167.08534	8.4
168.09323	3.2
169.06470	0.5
169.10112	10.8
170.10713	0.6
171.08040	1.8
171.11687	1.9
173.09596	1.8
178.07744	0.8
179.08521	2.1
180.09253	1.2
181.10045	3.0
182.10883	10.8
183.08057	1.3
183.11632	3.5
184.12233	0.5
185.09645	0.9
185.13234	0.8
187.11090	0.8
189.09105	2.6
191.08530	0.7
192.09338	2.3
193.10086	4.3
194.10785	1.2
195.08049	1.1
195.11655	4.8
196.08855	0.8
196.12398	1.0
197.09589	3.7
197.13235	75.6
198.13609	4.2
199.11060	0.8
199.14720	2.5
201.12590	0.9
203.08456	0.6
204.53786	0.5
205.10063	1.7
206.10902	0.9
207.10065	1.0
207.11691	4.6
208.12338	1.1
209.09612	1.7
209.13133	3.1
210.10344	1.3
211.11145	3.3
211.14822	1.3
212.11903	1.0
213.12714	1.0
215.08807	0.5
215.14336	0.6
217.10110	1.7
217.12050	0.5
218.10764	1.3
219.11659	2.7
220.12459	1.6
221.09549	0.5
221.13237	3.4
222.10391	0.5
222.13908	0.6
223.11140	2.4
223.14796	1.5
224.11745	1.1
225.10452	0.7
225.12700	14.2
225.69690	0.4
227.14233	1.0
229.10120	1.0
229.12163	0.5
230.10893	0.9
231.11710	2.9
232.12411	1.6
233.09599	0.6
233.13185	3.3
234.14157	1.1
235.11186	1.4
235.14822	2.5
236.11923	0.8
236.15457	0.7
237.12659	3.1
237.16351	1.0
239.14313	1.5
243.11630	1.4
243.13885	0.8
244.12477	0.9
245.13199	1.6
246.13983	2.0
247.11176	1.5
247.14795	3.7
248.11766	0.5
248.15489	0.9
249.12730	2.0
249.16371	2.4
250.13419	0.5
250.17090	0.6
250.20123	0.5
251.14218	1.6
251.17870	0.5
252.15059	0.7
257.13071	0.7
258.13980	0.6
259.14865	2.1
260.11896	0.6
260.15512	0.6
261.12582	1.4
261.16418	3.0
262.13513	1.0
262.16833	0.8
263.14343	2.5
263.17871	0.9
264.15100	0.9
265.12384	0.5
265.15857	1.8
267.17453	6.9
269.13297	1.0
273.12781	1.1
273.16251	0.9
274.13837	0.5
274.17084	1.1
275.14362	1.1
275.17752	0.8
277.15878	1.9
279.13824	1.4
279.17401	5.5
280.17929	0.6
281.15250	0.6
284.15540	1.1
287.14288	1.7
288.14954	0.6
289.16266	0.7
289.19464	3.4
291.13773	1.4
291.17493	1.3
292.18192	0.5
293.15256	0.8
293.18890	0.8
299.17773	1.9
299.60495	0.5
302.16666	2.2
305.15427	0.6
307.17142	1.0
307.20578	2.8
309.14783	0.7
311.16675	0.6
317.19000	5.6
318.19492	0.5
320.17722	0.9
325.17987	8.1
325.21619	1.0
326.18408	1.0
335.20010	14.5
336.20282	1.2
338.18896	0.7
353.21057	100.0
354.21408	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	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.2
65.22627	0.8
69.96021	1.3
69.96347	1.7
81.07092	0.8
91.05471	24.6
92.05788	0.9
108.01258	2.6
183.03584	3.6
185.05145	1.6
261.08304	3.4
262.09067	4.9
294.08011	2.7
337.33237	0.8
353.10507	2.2
353.14435	39.1
353.22900	100.0
354.14828	3.9
354.23032	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	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65078	0.6
65.10166	0.8
66.01396	0.7
67.05510	0.7
70.55472	1.1
79.05458	0.8
81.07045	1.1
93.07019	0.7
105.07053	0.8
107.08517	1.1
108.53359	0.7
127.31351	0.7
127.59232	0.8
146.87416	0.6
151.27110	0.6
162.28888	0.6
166.31090	0.7
187.80614	0.6
353.06393	1.5
353.22955	100.0
354.23218	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86515	5.0
55.05501	18.8
57.03427	6.3
67.05494	100.0
69.07060	17.2
69.44945	8.8
69.45338	12.5
69.47206	3.8
70.06587	6.5
79.05482	53.0
80.80719	3.9
81.07050	89.7
82.77520	4.0
83.08611	10.4
88.07593	10.9
91.05460	25.4
93.07030	66.5
95.08599	78.2
95.75778	3.8
97.06520	4.5
105.07033	15.3
107.08576	39.8
109.10146	26.0
113.09594	4.4
117.07026	9.7
119.08601	14.5
121.10129	28.5
123.11683	13.8
131.08519	23.0
133.10127	13.4
135.11664	21.9
137.13248	6.3
145.10052	8.0
147.11665	13.9
149.09599	5.1
149.13252	16.7
159.11671	14.6
161.13220	8.4
163.14804	17.2
173.13243	18.1
177.16385	4.3
182.03345	4.1
187.14804	9.9
225.41736	4.0
233.22655	9.1
243.21008	31.1
261.22107	80.5
262.22351	5.6
314.38629	3.9
335.25928	6.9
353.17105	20.5
354.33621	61.3
361.61548	4.6
367.59067	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	2.7
55.05510	17.4
57.03436	3.3
57.07067	8.7
58.19556	1.9
59.17347	1.8
65.03917	2.4
67.05503	92.4
68.05836	2.6
69.07072	17.4
69.68678	7.8
71.08646	4.8
79.05489	68.1
80.05829	3.9
81.07053	100.0
82.07384	3.5
83.04967	3.3
83.08611	10.7
85.06541	6.5
85.10157	3.7
85.53761	1.9
91.05474	31.7
93.07042	92.1
94.07365	2.3
95.04975	7.5
95.08602	78.4
97.06496	3.9
98.23338	3.1
99.08095	3.8
105.04525	2.0
105.07030	27.1
106.07343	2.0
107.08591	52.8
109.06550	3.9
109.10154	25.5
111.08060	3.3
113.09643	3.7
117.06991	11.6
119.08572	17.5
121.10135	39.1
122.10490	2.6
123.11679	12.1
131.08557	23.5
132.08795	2.0
133.10132	14.1
135.11688	34.5
137.13263	6.6
145.10094	16.4
146.10544	3.0
147.11656	12.9
149.13251	25.7
151.14824	2.6
153.12788	2.9
159.11700	15.1
161.13239	13.1
163.14833	19.2
164.15340	2.0
173.13248	19.2
174.13634	2.4
175.14848	5.0
177.16399	7.0
187.14778	12.8
201.16434	3.7
233.22662	9.4
243.21072	34.3
261.22131	89.6
262.22586	6.8
288.88431	2.2
295.19998	2.4
335.25830	7.5
353.26590	4.1
354.33636	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.01903	2.2
53.03927	2.4
55.01849	4.8
55.05509	35.2
57.03431	17.3
57.07079	10.3
65.03936	4.3
67.05500	77.2
68.05841	3.7
69.07067	41.2
70.06575	3.6
71.04995	6.9
71.08627	75.0
79.05489	39.8
81.07050	100.0
83.04984	5.4
83.08614	20.1
85.06530	6.7
88.07600	2.4
91.05471	21.0
93.07040	53.8
95.04974	5.8
95.08596	68.7
96.08963	2.3
97.06529	9.1
97.10167	15.7
99.08087	62.0
105.07022	27.3
107.08577	39.6
107.09251	3.8
109.06523	2.3
109.10148	36.0
111.08097	3.9
113.09618	2.3
117.07008	8.1
119.08561	18.0
119.30672	2.0
121.10147	22.6
123.08008	2.5
123.11694	11.8
123.80056	1.9
125.09630	6.3
131.08551	16.0
133.10147	8.0
135.11699	21.5
137.09645	2.4
137.13263	10.0
139.11174	2.8
141.12665	2.5
145.10089	13.4
147.11682	36.8
149.13203	16.4
151.11244	2.6
151.14789	3.9
153.12741	6.0
159.11694	7.3
161.13257	9.0
163.11185	6.4
163.14816	14.6
165.12772	9.7
167.14368	4.3
173.13272	10.1
175.14801	4.5
177.16420	5.9
179.14333	2.4
181.15904	7.4
187.14859	7.4
189.11212	5.0
191.14253	3.3
205.15852	2.8
233.22731	5.1
243.20984	14.6
261.22128	41.0
279.23187	29.1
280.23428	3.3
336.32596	3.5
353.26877	75.7
354.27274	4.9
354.33679	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.12389	0.8
53.03931	1.8
53.95672	0.7
55.01873	1.3
55.05252	1.4
55.05503	16.2
57.03433	7.2
57.07072	3.7
65.03932	2.4
67.05497	97.4
68.05814	1.6
69.07061	14.3
69.93129	1.8
69.93476	1.4
71.04978	2.2
71.08604	1.5
75.04462	1.9
77.03910	1.2
79.05482	47.0
81.07047	100.0
82.07382	2.1
83.04958	1.2
83.08601	7.5
85.06535	2.3
86.63120	0.7
91.05464	22.6
93.07032	58.6
95.04950	5.6
95.08593	75.1
96.08935	1.9
97.06508	3.5
97.10143	3.5
98.23054	2.2
99.08087	1.5
105.04506	1.1
105.07014	15.0
107.08578	33.7
109.06549	1.1
109.10143	38.6
111.08076	1.6
111.11689	1.2
113.09636	1.2
117.06995	7.3
119.08566	13.3
121.10128	30.4
122.10480	1.1
123.08070	1.6
123.11685	19.5
125.09615	1.0
131.08549	20.1
133.10109	12.0
135.11673	25.1
137.09630	1.4
137.13223	7.1
138.83267	0.8
139.11249	0.8
145.10106	12.8
147.11685	9.4
148.12033	0.8
149.13232	18.9
151.11125	1.3
151.14775	2.5
153.12721	1.9
159.11667	12.8
159.12929	1.0
161.13249	10.0
163.14793	12.5
165.12775	1.3
173.13237	17.2
174.13579	1.1
175.14836	2.8
177.12755	1.4
177.16350	3.4
179.14285	1.3
187.14821	9.5
191.14218	1.6
193.16078	0.8
201.16333	2.9
215.18008	0.7
217.19580	0.7
219.17409	1.9
223.07648	0.8
233.22621	3.1
243.21019	18.7
244.21387	1.1
261.22104	81.8
262.22461	5.1
279.23114	5.5
335.25772	9.7
353.10114	2.3
353.26804	21.8
354.27109	2.2
378.62350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01797	1.3
55.05506	14.9
57.03427	3.0
57.07072	6.2
58.98927	1.3
65.03925	3.5
67.05498	100.0
69.07057	11.8
71.04977	1.5
77.03921	1.5
79.05486	45.7
81.07050	96.6
82.07384	2.3
83.04990	2.5
83.08625	7.3
83.78419	1.2
85.06522	2.3
91.05468	28.0
91.05988	2.5
93.07038	64.2
94.07360	1.4
95.04960	5.8
95.08598	69.1
97.06517	3.8
97.10165	3.0
99.08101	1.6
105.04608	1.3
105.07019	20.0
107.08582	41.4
109.06490	2.5
109.10148	31.8
111.08071	1.6
113.09624	2.3
114.59452	1.4
117.06993	10.3
119.08578	18.1
121.10136	37.2
123.11690	20.9
129.06996	1.5
131.08549	21.3
133.10104	15.0
135.11682	25.3
137.13219	7.5
143.08525	1.7
145.10115	16.9
147.11696	9.0
149.13239	19.8
151.14787	2.4
152.56917	1.2
153.12712	3.0
157.10107	2.2
159.11694	15.9
161.13228	9.1
163.14790	12.1
171.11626	1.5
173.13254	14.8
174.13593	1.3
175.14813	4.0
177.16362	3.5
187.14780	9.3
189.16493	1.8
201.16408	2.8
219.17575	1.9
220.30145	1.2
233.22574	3.8
243.21046	20.3
244.21509	1.5
261.22113	87.0
262.22488	5.6
273.87204	1.2
279.23273	3.6
335.25760	5.5
353.27020	22.3
354.27344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	1.8
55.01874	0.9
55.05506	16.5
57.03436	5.4
57.07051	4.2
65.03937	2.1
67.05496	96.5
68.05839	1.5
69.07056	14.1
69.16180	1.9
69.16579	4.6
71.04987	2.1
71.08607	1.6
75.04494	2.0
77.03922	1.4
79.05482	45.0
80.05811	1.0
81.07044	100.0
82.07368	3.0
83.04923	1.4
83.08609	7.1
85.06527	3.5
91.05466	21.9
92.05764	0.8
93.07032	57.4
94.07354	1.4
95.04965	5.5
95.08592	72.7
96.08904	1.9
97.06520	4.3
97.10140	3.3
98.23450	1.6
99.08064	2.2
105.04475	1.3
105.07011	15.9
107.08575	39.1
107.90421	1.0
108.08865	1.1
109.06505	2.1
109.10140	43.0
110.10461	1.5
111.08065	1.4
117.06993	10.8
119.06080	1.1
119.08566	13.6
121.10121	35.6
123.08040	1.1
123.11697	23.5
124.11967	1.1
125.09611	1.3
131.08553	18.3
133.10124	11.6
135.11674	28.7
137.09613	1.0
137.13239	9.0
139.11249	1.1
145.10112	13.9
147.11673	11.1
147.46255	1.0
149.09462	0.9
149.13223	20.8
151.11176	1.2
151.14792	3.4
153.12733	1.5
159.11671	15.3
160.11948	1.1
161.13242	8.9
163.11113	0.9
163.14819	11.5
165.12730	1.9
173.13228	18.5
174.13617	1.3
175.14789	4.4
177.12769	1.1
177.16356	4.6
179.14316	1.9
184.57637	0.9
187.14792	11.1
188.15224	1.1
189.16371	1.1
191.14262	1.1
197.31012	0.9
201.16341	3.7
205.15837	1.6
215.17924	1.3
219.17426	1.8
233.22572	4.5
243.21063	20.8
244.21286	1.0
252.65067	1.1
261.22095	88.3
262.22510	4.8
263.23627	1.3
279.23163	7.1
290.61133	0.9
317.24670	1.6
335.25815	11.3
336.26047	1.1
346.82834	0.9
346.95483	0.9
353.26816	21.8
354.27094	1.3
354.33408	2.0
354.76453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.4
53.03928	2.3
54.16924	1.2
55.05503	12.2
57.03426	4.5
57.07067	2.8
61.37758	1.2
65.03927	2.4
67.05500	87.8
69.07070	10.1
69.74184	2.9
71.08620	2.1
77.03904	1.7
79.05044	2.4
79.05486	40.3
81.07050	89.4
82.07378	1.6
83.08624	6.3
85.06548	2.9
91.05479	19.1
93.07037	57.9
94.07401	1.8
95.04936	3.3
95.08596	64.9
95.30997	1.2
97.06520	3.3
97.10153	4.4
99.08086	3.3
105.04500	1.4
105.07024	18.9
107.08588	40.6
109.06474	1.6
109.10155	34.6
115.11375	1.5
117.07008	9.3
119.08584	14.9
121.10138	33.6
123.08085	2.2
123.11692	20.7
131.08551	20.0
133.10126	12.9
135.11682	27.9
137.13258	9.6
145.10124	18.2
147.11664	11.2
149.13249	21.9
150.13600	1.8
151.11156	2.1
151.14783	1.8
153.12735	2.7
159.11684	17.0
161.13254	8.6
163.14847	12.5
165.12738	1.9
173.13260	17.8
175.14810	3.0
177.12749	1.7
177.16345	5.1
181.91238	1.3
187.14769	10.3
201.16348	2.9
205.15929	1.8
215.17839	1.8
219.17545	2.1
233.22574	3.6
243.21060	21.3
261.22110	100.0
262.22421	7.3
274.62405	1.3
279.23129	3.9
304.89667	1.3
335.25717	4.9
336.28979	1.8
353.26761	22.7
354.27338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75130	1.6
53.03931	5.8
55.01863	7.8
55.05527	1.6
57.03431	5.1
58.09670	1.6
61.02919	4.6
67.05514	1.4
69.03424	38.8
71.04977	3.7
73.02907	6.9
79.05483	2.3
81.03412	22.3
81.07047	5.1
85.02898	100.0
87.00821	44.2
91.03956	1.4
91.05453	2.2
93.07052	3.2
95.08607	2.1
96.08925	2.0
97.02895	29.8
99.04436	11.8
105.01141	3.3
105.01858	69.3
105.07018	4.2
106.07364	3.2
108.04504	2.8
109.02869	24.3
117.01809	2.6
117.07047	1.9
119.08523	2.6
121.06469	1.5
123.07999	1.8
127.03905	59.3
129.01852	1.9
133.10156	2.0
143.08521	2.2
144.08879	1.5
145.04950	33.0
145.10121	1.6
146.10381	1.6
147.02834	2.4
147.07941	2.1
150.85031	1.8
154.97424	1.6
155.08499	6.0
156.08902	3.9
158.10446	2.0
159.02882	10.4
167.08524	3.6
168.09032	2.7
169.10094	2.7
170.10464	4.0
171.02856	2.4
180.08980	2.1
181.09895	1.5
182.10803	3.4
183.11267	5.3
189.03880	3.7
189.08948	1.8
193.09804	2.0
194.10495	2.1
195.11554	1.5
196.12103	2.4
197.13251	20.9
198.13579	32.6
208.11975	3.7
210.13733	2.9
213.01486	1.5
224.84494	1.7
225.12581	1.7
226.13060	6.7
229.01038	2.2
231.04970	15.6
232.12230	2.8
233.12988	2.2
246.13847	1.8
248.15135	3.1
249.05937	2.5
250.13057	2.2
258.13644	1.8
260.15262	2.2
263.13791	1.7
264.14911	1.4
268.17770	4.0
277.16174	2.0
278.16254	2.5
280.17691	2.9
285.16037	2.3
303.17029	1.8
318.19452	4.7
326.18292	6.5
336.20380	10.6
353.20697	1.7
354.21472	69.2
355.17474	2.1
355.22006	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	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62650	1.3
53.03942	4.9
55.01879	7.2
57.03428	5.2
58.29372	1.3
61.02934	7.4
63.11848	1.4
68.99797	2.3
69.03426	35.1
70.77808	2.1
71.04979	3.1
73.02911	6.0
73.17425	1.3
81.03412	27.0
85.02898	100.0
87.00822	49.1
87.04449	1.8
91.03920	2.1
95.08598	1.7
97.02883	37.6
99.04449	13.6
100.17564	1.4
105.01859	86.5
108.04479	2.1
109.02874	25.9
117.01859	2.3
120.62988	1.2
126.05533	1.4
127.03905	78.9
129.01854	2.6
129.05544	1.4
129.52728	1.4
133.10030	1.4
145.04947	35.6
150.65356	1.3
159.02895	15.0
189.03946	4.2
213.03976	2.7
231.04958	18.6
241.00598	1.4
249.06047	4.5
354.21420	1.8
355.17090	1.8
355.22470	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01855	6.3
55.67285	1.8
57.03427	7.3
61.02917	9.4
66.31622	1.8
69.03064	3.1
69.03424	47.5
70.58747	2.3
71.04967	4.6
71.08621	2.1
73.02914	8.4
79.55254	1.7
81.03407	20.4
81.07041	2.2
85.02896	100.0
87.00823	51.5
91.05507	2.2
93.07011	2.3
95.08584	2.8
97.02888	38.1
99.03867	1.7
99.04429	11.4
105.01854	82.4
108.04463	2.2
109.02869	27.9
119.08595	1.7
127.03899	67.7
129.01884	2.9
132.19373	2.1
145.04936	30.8
147.02931	2.0
159.02931	11.6
161.05937	2.6
169.68748	2.1
175.07570	4.1
176.07918	3.0
182.15398	2.4
201.03671	10.8
203.05237	2.8
210.14877	3.0
231.04962	23.5
249.05994	9.6
309.94568	2.0
324.44223	2.0
354.15329	2.6
355.17188	33.3
375.88248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35254	0.4
53.03938	0.9
53.59179	0.4
55.01869	1.7
55.05506	1.9
56.05027	0.5
57.03444	0.7
58.58794	0.4
61.84958	0.4
65.03942	0.5
67.05492	3.9
69.03425	2.1
69.06705	0.8
69.07062	11.2
71.04630	0.8
71.04987	10.6
78.65340	0.5
79.05486	9.9
81.03413	3.9
81.07050	3.8
83.04972	4.2
85.06540	6.0
86.09697	100.0
87.10020	1.2
88.03965	0.6
91.05469	9.6
93.07036	9.4
95.04948	3.0
95.08600	1.5
97.06523	1.5
99.04456	0.5
99.08084	1.4
105.07024	11.5
107.04946	3.6
107.08585	14.6
107.14829	0.4
108.09007	0.5
109.02870	2.8
109.06504	3.8
111.04436	5.1
115.05455	0.5
116.06271	0.5
117.06997	4.4
119.08569	8.5
121.06493	4.4
121.10133	7.7
123.04411	1.1
123.08071	1.2
123.11680	0.8
127.03928	1.6
127.07565	0.6
128.06215	1.2
128.10709	4.8
129.06998	3.3
130.07761	0.7
131.08551	17.3
133.06567	0.6
133.10088	1.4
135.04370	2.2
135.08040	1.6
135.11703	1.1
137.06018	0.7
137.09605	3.7
139.07526	0.5
143.08528	0.8
144.10159	0.7
145.06482	1.9
145.10123	9.4
146.11745	34.4
147.08022	5.6
147.11668	4.1
149.05960	1.3
149.09602	31.6
150.09973	1.4
150.12781	0.6
155.07005	0.8
155.08527	0.7
156.10187	1.1
161.09550	1.0
163.07552	1.9
163.11171	11.3
165.09131	5.2
165.12747	2.7
167.07034	1.0
167.10661	41.2
168.11020	1.1
173.09598	4.8
179.10683	0.9
185.13246	0.6
188.97302	0.4
191.10646	25.6
192.10995	0.9
206.15308	0.6
208.13393	1.1
209.11702	25.2
210.12094	0.8
210.14885	4.7
220.13394	0.6
229.14365	0.8
238.14394	1.1
258.18396	2.5
266.17432	1.0
270.16989	0.6
276.19559	17.0
277.20013	0.8
294.20627	11.9
294.23746	0.9
295.20908	0.6
304.18933	0.8
318.20642	1.3
322.20010	3.1
336.21637	5.9
354.22610	6.0
355.17578	0.7
365.41470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32150	0.4
60.73879	0.4
63.40707	0.4
69.40670	1.7
71.20540	0.4
90.26577	0.4
98.22711	0.8
98.40797	0.4
109.64596	0.4
136.07574	0.9
164.07053	2.3
175.05217	0.5
177.01595	1.8
182.08052	2.6
185.04170	3.4
192.03900	13.7
193.04709	8.3
207.49673	0.5
241.03868	0.5
271.01038	0.5
285.91376	0.5
324.08115	2.6
325.09006	1.2
355.09946	100.0
356.10223	4.7
374.95892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1176
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
55.01870	21.4
55.05489	1.7
57.07050	2.1
60.48160	0.8
65.03944	3.6
67.05499	0.8
69.03428	0.9
69.07670	2.9
69.08093	2.0
74.09695	1.9
79.05483	1.2
81.07020	1.2
83.08583	1.9
83.43121	0.7
85.02908	5.1
87.69526	0.7
91.05453	2.5
93.03361	0.8
95.04949	2.1
95.08603	0.8
97.12822	0.7
98.23282	3.5
100.11253	4.6
103.05412	1.3
105.03326	0.8
105.06979	1.6
107.04943	5.6
109.06506	0.8
110.03626	1.8
110.27592	0.8
111.04466	4.6
115.05421	3.3
115.78370	0.7
121.02864	23.1
121.03799	1.9
121.06441	1.3
125.05964	2.5
130.04102	1.4
131.04872	3.4
133.02837	1.0
133.06482	0.8
135.04353	1.1
137.05942	2.7
141.06955	1.4
143.04932	0.8
144.05675	1.4
145.06470	7.0
147.04469	1.0
149.02286	2.1
151.03766	0.9
152.06194	1.5
153.05426	3.4
153.06888	1.7
156.13823	6.4
158.03653	1.4
159.04414	1.4
161.05980	1.6
165.06998	8.5
166.07727	2.0
167.07042	1.5
167.08539	2.3
168.05695	1.0
169.06352	0.9
173.06012	8.1
174.06717	3.1
175.07480	3.2
176.06197	0.8
177.06941	3.1
178.06252	0.9
178.07750	12.9
179.08525	7.9
181.04924	3.0
181.06433	15.1
182.07195	1.5
182.15376	1.8
183.07965	1.5
184.13347	5.8
186.03156	2.2
187.03867	0.9
189.07002	5.8
190.07693	3.0
191.06993	0.9
191.08534	3.3
192.05617	1.3
193.06393	1.7
194.07329	6.8
195.08035	7.7
196.08772	2.4
197.05907	2.5
198.06749	1.7
199.07466	0.9
201.05463	17.9
202.06146	4.9
205.06462	7.7
206.07292	9.0
207.06319	1.2
207.08058	12.1
208.05186	0.8
208.08748	2.3
209.05972	6.5
209.09596	2.3
209.16536	1.0
210.06694	2.7
210.14853	1.8
211.07478	2.8
213.09167	1.4
217.06456	1.5
218.07266	4.3
219.08060	3.6
220.05177	2.2
220.08488	0.9
221.05930	3.8
221.09537	3.7
222.06770	3.9
223.07544	11.1
224.08353	10.8
225.08992	2.2
226.06212	1.6
233.06007	2.3
234.06728	12.3
235.07526	12.7
236.04654	1.2
236.08293	6.5
237.05453	6.1
237.09088	8.5
238.06154	1.5
238.09766	1.2
239.06953	2.0
239.10637	3.9
240.07813	1.1
241.08508	2.3
245.05959	1.1
245.08096	16.7
247.07497	1.8
248.08385	1.1
249.05415	2.4
249.09085	9.0
250.06200	1.4
250.09587	0.9
251.07048	9.9
252.07805	36.0
253.04982	1.1
253.08505	6.8
254.05782	0.9
255.20695	1.4
257.07971	1.2
262.06213	5.9
263.06992	7.4
264.07840	2.3
265.05029	1.9
265.08533	8.5
266.05881	1.5
266.09277	5.2
267.10156	20.1
268.10452	1.2
269.08041	4.7
277.08563	9.4
278.05499	1.3
278.09238	0.9
279.06558	5.4
280.07285	10.0
281.08044	5.8
290.05624	1.0
291.06525	1.8
292.07227	1.2
293.08047	2.7
294.08856	3.7
295.09616	37.5
296.10272	6.9
297.07593	4.2
297.10663	1.1
299.12686	1.2
300.09888	1.2
305.07986	2.7
307.06110	1.2
308.06702	2.2
309.07462	1.9
309.10941	1.0
311.08914	1.0
312.09940	3.8
321.07449	1.0
322.08401	3.2
323.09116	100.0
324.09579	11.2
327.12256	17.1
328.12427	1.4
337.10596	5.9
340.09219	1.8
355.11728	54.3
356.12009	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	355.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67738	0.3
64.45262	0.3
69.03431	0.4
69.34859	1.6
81.03400	0.5
81.07042	0.7
85.06557	0.3
91.05465	0.6
93.07045	0.5
95.04926	0.3
95.08617	0.5
98.22704	0.7
105.07032	0.5
107.04943	0.7
107.08598	0.6
109.02850	0.4
109.10112	0.4
117.06995	0.4
119.08573	2.0
121.10129	0.5
131.04999	0.5
137.05977	0.8
147.08090	0.4
161.05942	0.4
165.09102	0.5
167.07083	0.6
175.07527	0.7
191.07077	0.4
193.08670	0.3
201.03662	0.6
201.09152	0.4
203.05267	1.5
234.06680	0.3
235.07530	0.5
252.07722	0.5
263.06937	0.4
295.09814	0.5
323.09109	1.4
323.12625	0.5
327.12033	0.4
355.17236	100.0
356.17590	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
62.21569	0.3
65.95086	0.3
69.17484	1.6
77.89809	0.3
81.07008	0.3
82.99839	0.3
98.23252	1.4
105.09924	0.3
119.74403	0.2
121.19828	0.3
137.05980	0.5
146.03728	0.3
149.05865	0.3
161.05875	0.4
179.17094	0.3
201.03699	4.0
201.05438	0.6
203.05252	2.4
210.14815	0.6
226.72284	0.3
337.21191	0.3
355.17218	100.0
356.17542	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	355.1722
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
53.25407	0.3
67.05470	0.4
70.81046	0.4
81.07064	0.5
83.84454	0.3
91.05470	0.7
93.07047	0.6
95.08596	0.4
103.05460	0.7
105.07030	1.2
107.08577	0.5
108.69985	0.4
121.10146	0.5
129.07007	0.9
131.04924	1.0
137.05989	1.6
147.04443	0.4
151.07497	0.4
161.05957	2.2
163.07565	0.8
163.21429	0.4
175.07494	1.5
189.09122	0.7
193.08464	0.4
193.12135	0.7
201.05573	0.6
203.05220	2.1
234.06845	0.4
245.74107	0.3
248.08328	0.4
251.10524	0.4
263.07111	0.5
264.07764	0.4
277.08496	0.6
279.10126	0.5
293.08038	0.4
305.11673	0.6
311.12863	1.7
323.12601	0.5
355.17239	100.0
356.17612	4.9
371.07214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
52.82292	0.4
53.03945	7.8
53.62584	0.4
55.01859	2.3
55.05505	5.9
57.03434	3.2
57.07069	0.6
59.88887	0.5
61.02909	0.5
65.03947	0.7
66.60281	0.4
67.01865	0.5
67.05495	19.0
67.35934	0.4
69.03422	37.9
69.07059	10.4
70.03737	0.5
70.07411	0.5
71.01340	0.5
71.04986	6.2
71.43661	0.5
76.60909	0.4
76.65664	0.4
77.03912	0.5
79.05482	12.5
80.96021	0.4
81.03408	100.0
81.07047	50.6
82.03743	1.5
82.07369	1.0
83.04968	4.3
83.08611	4.6
85.02887	4.9
85.06534	3.2
91.05470	20.0
93.07031	10.2
95.04964	3.8
95.08595	10.8
97.02882	10.3
97.06516	6.4
97.10141	0.5
99.04446	8.9
99.08074	3.5
100.11240	0.5
101.06004	0.8
105.07018	26.9
106.07339	0.4
107.04954	1.3
107.08572	8.9
109.02866	40.7
109.06504	4.1
109.10156	1.6
110.03201	1.2
111.04448	0.7
111.08080	1.5
113.05992	1.1
115.05419	0.6
117.06991	1.7
119.08566	22.4
120.08913	0.9
121.06494	1.1
121.10132	16.5
122.10442	0.5
123.04408	0.6
123.08071	3.6
123.11689	20.2
124.11998	0.5
125.05998	0.6
125.09620	0.7
127.03901	26.5
127.07526	2.3
128.04240	0.9
129.06996	2.3
131.08530	2.1
133.06499	0.9
133.10107	3.9
135.08087	0.7
135.11639	0.6
137.05946	1.4
137.09639	2.3
137.13263	1.8
141.09119	0.6
142.07726	0.6
143.08546	0.9
145.04990	0.8
145.06427	0.7
145.10107	1.8
147.04471	0.4
147.08038	1.4
147.11665	56.6
148.12019	2.1
149.09601	1.6
151.03984	0.5
157.06450	0.5
157.10106	3.7
161.06012	0.7
161.13229	0.6
163.07558	0.7
163.11169	0.9
165.12733	33.0
166.13086	1.1
167.07060	0.6
171.11771	0.8
173.05989	0.6
173.09557	1.0
175.07518	0.9
175.11212	4.8
175.14778	0.9
183.13771	5.3
186.46330	0.4
193.12206	7.8
193.15903	0.8
195.11697	0.5
197.13277	0.4
199.11205	0.5
201.12772	0.4
203.07024	0.4
205.06432	0.7
207.08069	0.5
211.13322	1.1
229.14299	10.8
230.14665	0.6
234.06740	0.6
244.69498	0.5
264.07397	0.6
275.01477	0.5
291.11316	0.5
295.09305	0.6
301.14249	0.9
309.16989	3.8
319.15320	0.9
337.16537	3.7
337.20557	0.6
355.11749	1.3
355.17526	15.1
355.22522	3.3
355.26471	1.3
356.17807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50588	0.5
52.78217	0.5
53.03939	9.9
55.01871	2.6
55.05508	7.0
57.03425	3.0
57.31546	0.5
59.04988	0.5
65.03938	0.8
67.05497	17.5
69.03423	38.7
69.07062	8.1
70.03748	0.7
70.56801	1.1
71.01329	0.5
71.04985	6.6
79.05486	13.6
81.03409	100.0
81.07047	55.5
82.03754	1.3
82.07396	0.9
83.04971	4.9
83.08605	4.2
85.02894	5.6
85.06538	2.7
91.05467	18.7
93.07027	10.6
93.40659	0.5
94.07362	0.7
95.04963	3.4
95.08592	10.4
97.02883	11.2
97.06516	6.5
99.04443	9.8
99.08089	3.2
103.05461	0.8
105.07017	28.1
106.07381	0.8
106.31109	0.5
107.04933	1.2
107.08579	10.3
109.02866	41.2
109.06497	4.6
109.10135	1.8
110.03204	1.1
111.04432	0.6
111.08060	1.4
113.06009	1.0
117.07008	0.6
119.08566	20.3
120.08909	0.9
121.06503	1.1
121.10129	15.0
122.10444	0.5
123.08096	3.1
123.11691	17.5
123.29134	0.5
125.09604	0.7
127.03904	27.3
127.07553	2.3
129.06978	2.7
131.08548	2.3
133.06447	0.7
133.10101	3.7
135.11682	0.6
137.05972	1.4
137.09613	2.3
137.13232	1.6
141.07045	0.6
141.09079	1.2
142.07811	0.7
143.08563	0.6
145.10127	1.5
147.11668	58.6
148.11996	2.9
149.09709	0.8
155.08537	0.6
157.10101	4.0
159.11748	0.6
161.05949	1.2
165.12737	30.1
166.13113	1.6
173.09616	1.1
175.07552	1.2
175.11154	6.0
175.14984	0.5
183.13808	4.8
185.13208	0.6
187.07570	0.6
187.11026	0.6
189.09079	0.6
191.10701	0.8
193.12241	7.5
193.15981	0.7
211.07324	0.5
211.13255	1.3
215.14218	0.7
218.88466	0.5
229.14302	11.7
230.14612	0.8
234.06769	0.7
236.71326	0.6
295.09808	0.8
305.08002	0.7
309.16837	3.1
309.58609	0.6
323.08899	0.6
337.16519	4.4
337.21338	0.7
355.11707	1.0
355.17548	11.8
355.22528	3.0
355.26486	0.9
356.17804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01853	5.6
55.05507	25.2
57.03421	10.1
57.07059	5.9
59.04988	11.7
60.91433	4.4
61.02887	6.5
67.05491	40.2
67.42278	4.3
69.03423	42.5
69.07055	28.9
71.01346	4.6
71.04984	12.7
73.02898	5.2
78.71745	3.9
79.05483	21.4
81.03395	16.4
81.07047	50.3
83.04974	70.1
85.02890	38.3
87.04440	5.7
91.05463	15.0
93.07036	29.6
94.06561	6.2
95.04959	58.0
95.08590	49.3
97.02882	19.8
97.06547	10.2
99.04444	15.1
103.03931	7.3
105.07014	20.4
107.04929	8.6
107.08587	37.1
109.06504	27.9
109.10141	73.7
111.04409	8.4
111.08050	8.3
117.07018	9.4
119.08567	19.7
121.06512	9.1
121.10130	18.8
123.08044	11.9
123.11724	9.0
127.03918	15.2
131.08519	11.3
133.06488	5.1
133.10138	18.2
135.08060	26.0
135.11691	20.8
137.06020	5.5
137.09598	100.0
145.04912	9.2
145.06476	4.9
145.10149	9.0
147.08061	7.3
147.11684	5.5
149.09601	12.7
152.07021	5.6
155.10654	6.7
157.10103	6.0
159.11772	5.4
161.09634	7.2
162.06725	5.0
163.07596	7.2
165.09071	7.5
167.07024	6.5
171.11682	7.2
173.13260	5.2
175.14818	10.7
176.06981	6.1
177.09164	5.1
179.10680	14.0
187.07516	6.2
191.14334	6.9
193.15894	43.3
201.09082	8.7
209.15236	4.6
235.16835	11.0
299.14874	6.5
319.19266	5.1
337.19980	6.3
355.17184	92.6
355.21146	22.5
356.17859	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	355.2266
Annotation	etretinate
Peak:m/z	Relative Intensity
53.03937	0.4
55.01865	0.5
55.05496	0.9
57.03410	0.1
60.50996	0.2
62.24106	0.2
65.03931	0.3
67.05498	2.3
69.03417	0.5
69.07065	0.8
69.87206	0.4
69.87555	0.2
70.07379	0.2
72.20096	0.1
77.03921	0.3
79.05487	3.3
81.07051	2.6
83.04980	0.6
83.08633	0.2
84.08978	0.2
85.06566	0.2
86.09687	0.3
86.59361	0.2
91.05469	3.9
92.05785	0.2
93.07037	6.2
95.04961	1.4
95.08597	8.4
96.08907	0.2
97.06517	0.8
98.22964	0.4
100.11253	0.4
101.11592	0.3
103.05467	0.2
105.04510	0.5
105.07020	4.2
107.04924	0.8
107.08591	2.5
109.06512	6.3
109.10139	0.4
111.08049	1.2
115.05445	0.2
117.07012	1.2
119.04937	0.6
119.08570	2.3
121.05614	0.2
121.06499	5.4
121.10130	0.7
122.07283	0.6
123.08057	52.4
124.08379	0.9
125.09630	1.4
128.06230	0.7
129.06995	1.7
130.07838	0.3
131.04915	0.3
131.08546	3.3
133.06488	0.5
133.10118	1.6
135.08035	2.7
135.11697	0.6
137.05983	0.5
137.09598	2.3
137.45018	0.2
138.09888	0.2
139.07520	0.3
141.06970	0.8
142.07761	0.8
142.12302	0.4
143.08560	2.4
143.12624	0.3
144.09166	0.3
145.06474	1.7
145.10109	3.2
146.07225	0.2
147.08029	2.8
147.11667	0.8
149.09628	1.7
151.11166	0.3
154.07698	0.2
155.08539	2.1
156.09296	0.5
157.06367	0.3
157.10129	2.6
158.07259	0.4
158.10799	0.3
159.08046	3.3
159.11674	1.7
160.08775	0.4
161.05943	0.3
161.09616	4.4
161.13309	0.3
162.10292	0.6
163.11110	0.8
165.07011	0.4
167.08553	0.7
168.09308	0.5
168.13890	0.4
169.10127	1.6
169.14162	0.3
171.08034	0.8
171.11679	1.6
172.08757	0.2
172.42146	0.2
173.09612	4.3
173.13231	2.2
174.10411	1.7
175.07564	0.2
175.11201	2.0
177.12695	0.3
179.08505	0.2
181.10138	0.6
182.10919	1.1
183.11650	1.0
185.09608	1.1
185.13264	0.6
186.10378	1.1
187.11180	2.0
187.14783	1.3
189.12740	0.6
191.10654	0.3
192.09320	0.2
193.12152	0.2
195.11671	0.6
196.13350	0.2
197.09656	0.4
197.13263	2.6
198.10393	0.3
199.11153	1.5
199.14833	0.4
200.11902	1.5
201.09067	0.2
201.12727	3.6
203.14270	0.2
207.11679	0.2
209.13234	0.4
211.11198	0.3
211.14830	0.4
213.12720	1.8
214.13536	0.8
215.14296	19.3
216.14618	0.8
217.15810	0.3
219.08130	0.2
219.11803	0.2
221.09573	0.3
221.13284	0.3
223.11238	0.2
223.14719	0.2
224.11951	0.2
225.12685	0.9
227.14241	0.6
231.13780	3.0
233.15298	2.7
235.14917	0.3
237.12816	0.2
237.16170	0.2
239.14079	0.4
241.15865	0.2
243.13719	1.6
249.12787	0.2
249.16454	0.3
251.06963	0.2
251.10567	0.2
261.14755	0.3
265.15918	0.5
270.18942	0.3
277.08563	0.3
277.19458	0.2
279.10226	0.3
279.17416	0.6
283.16757	0.3
295.20511	0.4
297.18536	0.5
305.11566	0.3
309.11151	0.3
311.12674	0.8
312.20844	0.6
313.21533	0.2
319.20676	0.5
323.09116	0.2
337.14548	0.2
337.21591	3.0
350.80087	0.2
355.22629	100.0
356.22971	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	355.2264
Annotation	etretinate
Peak:m/z	Relative Intensity
53.03923	0.5
54.09454	0.4
55.01860	0.8
55.05499	2.3
65.03934	1.1
67.05491	5.5
68.89623	0.4
69.03413	1.1
69.07055	1.7
71.04990	0.8
72.48778	0.4
75.96513	0.4
79.05038	0.9
79.05486	12.0
81.07044	9.8
81.73791	0.5
83.04977	0.8
83.79420	0.4
91.05462	13.5
93.07034	12.1
95.04945	3.9
95.08591	13.5
97.06522	1.4
97.36222	0.4
99.47085	0.4
103.05464	1.1
105.03368	0.9
105.07015	14.7
107.04943	2.6
107.08579	50.1
108.08913	0.6
109.06509	5.1
109.10136	4.5
111.08057	1.0
115.05437	1.1
117.07019	3.7
119.04946	1.1
119.06048	1.0
119.08568	11.5
121.06496	8.8
121.10135	4.6
123.04356	0.8
123.08028	2.3
123.11754	0.6
128.06201	3.2
129.06985	6.1
130.07733	0.8
131.04921	1.5
131.08562	5.9
133.06461	2.1
133.10112	4.6
135.08034	3.4
135.11664	6.1
137.05977	4.8
141.06995	1.8
142.07738	2.0
143.08546	11.9
144.09267	0.9
145.06436	3.3
145.10115	6.8
146.03618	0.6
146.07161	0.5
147.08028	11.3
147.11644	2.3
149.05968	0.8
149.09615	1.0
149.13293	0.7
151.03928	0.6
151.07538	1.8
154.07799	0.5
155.08501	3.5
156.09334	1.9
157.06470	2.4
157.10098	13.0
158.07256	0.5
158.10637	0.5
159.08031	4.8
159.11684	5.5
160.05182	0.6
161.05952	13.3
161.09595	7.1
161.13264	1.2
162.06305	0.7
163.07507	2.3
163.11102	0.6
165.07034	1.2
167.08530	2.3
168.09323	1.2
169.10121	4.5
170.10875	0.9
171.08023	7.3
171.11659	4.8
173.05940	0.5
173.09587	6.6
173.13266	1.3
174.06766	0.8
175.03928	0.6
175.07521	8.5
175.11191	1.8
176.07947	0.7
177.09088	0.8
178.07806	1.2
179.08551	1.3
180.09282	1.1
181.10095	2.1
182.07208	0.6
182.10918	1.1
183.08160	1.1
183.11636	4.9
184.12373	1.1
185.09583	4.7
185.13211	4.8
187.07455	0.9
187.11189	3.8
187.14789	1.9
189.09071	20.1
190.09457	0.6
191.08568	0.6
191.10750	0.6
192.09233	0.9
193.10088	2.1
195.08070	0.9
195.11705	4.6
197.09561	1.3
197.13217	6.5
198.10440	1.0
198.13785	0.8
199.07536	0.6
199.11163	2.8
199.14792	17.0
200.15218	0.6
201.09091	0.5
201.12686	1.5
201.16302	0.9
203.10828	0.5
205.10152	0.7
206.10739	0.8
207.10005	5.5
207.11830	2.2
208.12381	0.6
209.09575	0.7
209.13211	4.9
210.10352	0.6
211.11211	3.7
211.14743	2.3
213.09178	0.8
213.12701	4.4
213.16360	0.8
215.10600	0.8
215.14287	1.3
217.10216	1.1
218.07349	0.7
219.08002	0.9
219.11655	1.6
220.12393	1.1
221.09612	0.6
221.13203	3.4
223.11171	1.3
223.14665	2.2
225.12711	2.9
225.16379	1.4
227.10730	0.9
227.14230	10.3
228.14622	0.8
229.12253	3.6
229.15813	0.8
230.10573	0.6
231.11703	1.2
231.13773	7.7
233.09636	0.7
233.13280	1.8
234.06824	0.7
234.10355	0.6
234.13960	1.1
235.07564	0.6
235.11191	0.8
235.14825	4.5
236.08258	0.6
236.15349	0.8
237.12727	1.4
237.16342	2.2
239.14284	1.0
239.17928	0.8
241.12279	0.9
243.13840	1.7
245.06096	0.8
245.09573	1.2
245.13226	1.8
246.14038	1.2
247.07681	0.8
247.13106	7.8
248.08246	0.6
249.09151	1.7
249.12201	0.9
249.14551	11.0
250.15038	0.6
250.17265	0.6
251.10687	1.9
251.14349	1.8
251.17862	1.3
253.15724	0.7
257.13141	1.1
258.13901	1.0
259.14789	1.8
261.14615	1.6
261.16690	1.3
262.06372	0.8
263.14246	1.6
263.17957	3.4
264.07648	0.7
264.18289	0.5
265.15683	1.0
267.13608	0.7
267.17416	0.8
269.19006	1.4
271.14822	2.0
272.15408	0.8
273.08862	0.7
273.16202	2.2
275.14136	0.7
275.17856	1.8
277.08600	1.6
277.12198	1.4
277.15900	1.3
277.19568	1.4
278.09256	0.5
279.06525	0.5
279.10095	1.6
279.17426	1.7
281.15430	1.8
281.18933	13.9
282.19254	1.1
286.17062	1.5
289.15842	1.5
289.19427	1.4
291.17819	0.9
291.21014	3.4
293.08148	0.6
293.18988	2.2
295.17358	0.7
295.20502	2.7
296.10281	0.8
299.16446	2.6
301.19559	6.0
304.18179	1.0
305.11438	0.8
309.11115	1.6
309.18793	0.7
309.21875	2.3
311.12747	5.3
313.18005	0.9
319.20499	12.0
320.20782	1.3
322.19211	1.0
323.13007	0.5
327.19598	0.5
327.23245	0.8
337.14764	0.9
337.21576	26.3
338.22006	1.9
339.08444	0.6
340.20361	1.2
355.22610	100.0
356.22977	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	355.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.2
56.96556	5.5
62.13009	1.2
65.03918	3.1
67.05496	5.5
69.07043	1.8
79.05490	13.4
81.07052	8.1
91.05457	15.7
93.07030	11.6
95.04973	6.3
95.08588	14.7
97.06516	2.0
103.05447	1.3
105.07027	13.2
107.04936	5.3
107.08584	59.7
108.08913	1.7
109.06500	4.1
109.10159	5.6
111.04396	2.8
111.08061	1.8
115.05424	3.7
117.07035	4.0
119.08575	10.4
121.02858	6.5
121.06481	11.9
121.10154	3.2
123.11765	1.3
125.05987	2.1
128.06245	1.3
129.06990	4.7
131.04918	2.3
131.08585	6.6
133.06430	2.9
133.10114	3.9
135.11732	6.5
137.05988	8.2
141.06990	1.8
142.07793	2.9
143.03749	1.7
143.04846	1.5
143.08534	13.0
144.05685	1.7
145.06500	7.4
145.10115	7.6
147.08011	10.4
147.11652	2.5
151.03893	15.9
151.05016	2.7
153.05412	2.5
154.07709	1.8
155.08505	4.6
157.06552	1.9
157.10121	13.7
159.08026	3.5
159.11681	4.5
161.04782	1.9
161.05969	3.8
161.09593	6.5
165.06975	3.6
167.03459	1.7
167.08517	4.3
169.06468	1.9
169.10100	4.9
170.10789	1.6
171.08006	8.2
171.11606	4.5
172.05177	1.9
173.06030	2.9
173.09599	5.9
175.07455	4.5
177.05475	2.1
178.07730	5.4
179.08461	5.3
181.05011	1.8
181.06441	5.2
181.10123	3.4
183.11673	5.1
185.09605	3.5
185.13200	3.9
187.07558	6.4
187.11180	4.4
188.08336	1.9
189.07137	2.8
189.09090	11.3
191.08562	1.9
192.09288	1.5
193.10098	2.7
194.07208	3.5
195.07994	2.9
195.11673	4.3
197.09669	2.2
197.13268	6.8
198.10370	2.9
199.11209	3.0
199.14816	14.7
201.05536	6.5
201.12704	2.1
205.06435	4.5
205.10207	1.5
206.07297	3.3
207.07982	5.0
207.10159	4.3
207.11841	2.2
209.13284	4.5
211.07552	2.2
211.11234	3.2
211.14803	2.2
213.12727	5.8
218.07297	1.4
219.11699	1.8
220.05113	2.7
221.05861	1.9
221.09610	2.4
221.13229	2.0
222.06766	2.5
223.07515	3.4
223.14731	2.0
224.08250	4.1
225.12796	2.4
227.09476	2.4
227.14284	10.7
229.12071	2.1
231.13699	7.5
233.05862	1.6
234.06682	5.0
235.07524	6.3
235.14789	4.4
236.08055	1.7
237.05363	1.9
237.09023	3.7
237.16382	1.8
239.10509	2.3
243.13759	2.8
245.08080	4.3
247.13260	5.9
249.09242	6.2
249.12439	2.2
249.14622	13.9
251.07034	3.7
251.18147	1.9
252.07776	12.0
253.08478	2.6
253.15656	1.6
255.12567	1.7
255.17136	1.4
259.14893	2.2
261.16473	1.8
262.06293	4.1
263.07050	5.6
263.17960	2.4
264.07791	2.4
265.08536	5.5
266.09280	2.0
267.10120	6.3
267.12637	1.5
269.08145	2.0
271.14996	2.4
275.18112	1.5
277.08548	5.6
277.14847	2.4
278.09341	1.7
279.06421	2.9
280.06955	3.0
281.07874	3.9
281.16022	2.1
281.18906	9.6
286.17090	3.5
289.15869	1.5
291.20981	2.2
293.19080	2.3
295.09549	11.7
295.15894	5.1
295.20523	2.8
296.10254	2.7
297.07825	1.5
299.12662	1.7
299.16287	1.4
301.19427	4.9
305.08038	1.9
307.09903	1.4
309.11127	1.8
309.22037	2.0
313.17371	2.7
319.20535	15.0
319.24005	2.1
320.20776	2.3
323.09177	27.7
323.12604	2.6
324.09521	4.5
325.10498	1.8
327.12167	6.4
337.10663	2.2
337.21588	26.9
337.25449	2.8
355.11725	30.9
355.18268	4.7
355.22595	100.0
356.11926	2.2
356.23080	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	355.2451
Annotation	3,3-Difluoro-5alpha-androstan-17beta-yl acetate
Peak:m/z	Relative Intensity
55.01855	1.7
64.95953	0.9
92.29427	0.9
93.56203	1.1
98.23499	2.3
105.06973	1.3
118.45839	0.9
119.48386	0.9
121.02884	1.1
121.06479	1.3
137.05962	3.5
153.05510	1.1
165.07053	1.3
178.07748	1.1
181.06409	1.1
194.07269	1.1
201.05473	3.8
210.14781	1.4
212.21555	1.1
221.06001	1.2
223.07564	1.6
227.19409	1.1
234.06808	1.7
235.07480	2.1
237.05266	1.1
237.09167	1.1
251.07097	1.2
252.07793	2.5
262.06226	1.4
263.06970	1.4
267.09784	2.3
277.53107	1.3
295.09723	3.1
323.09146	5.7
324.09583	1.8
327.12207	1.2
337.10590	1.7
337.21823	1.4
337.25592	1.1
355.11804	9.0
355.24509	100.0
356.11728	1.1
356.24991	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	355.284
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
54.85282	2.3
55.05505	38.0
57.03424	10.4
57.07074	14.6
65.39653	2.8
67.05495	68.4
69.07054	41.8
70.06580	8.5
71.04976	3.8
71.08628	6.8
75.95833	2.4
79.05482	28.6
81.07047	100.0
81.43333	2.8
82.07374	4.9
83.08607	28.8
83.31552	2.4
85.06532	3.9
85.10194	3.2
88.07623	11.1
91.05448	19.9
93.07033	23.8
95.08598	75.1
96.08891	3.6
96.37036	2.6
97.05967	3.1
97.06486	12.9
97.10168	20.5
99.08107	5.3
103.03999	2.8
105.07027	13.0
106.08664	5.4
107.08558	19.0
109.10138	36.7
111.08060	5.0
111.11697	5.7
119.08573	14.8
121.10121	31.5
123.08057	3.2
123.11687	23.4
125.09632	3.3
129.05472	3.5
133.09279	2.7
133.10110	15.5
135.11687	7.9
137.13268	8.5
147.11691	12.4
149.13264	11.2
151.11201	3.2
151.14815	7.9
161.13222	13.2
163.14825	11.3
165.12746	3.7
165.16393	6.0
175.14835	10.4
179.17935	3.6
189.16321	6.7
195.28505	2.7
203.17947	3.3
245.22601	37.5
245.36482	2.5
246.23035	4.0
263.23648	41.0
337.27402	24.6
355.24121	5.4
355.28360	8.2
355.33914	81.3
356.34668	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	355.284
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
51.34314	1.9
53.03935	2.7
55.05504	35.8
57.03424	5.7
57.07066	19.8
58.06565	3.5
59.97187	1.7
65.03935	1.7
67.05497	76.3
69.07059	51.1
70.06593	14.4
71.04967	2.8
71.08604	6.7
71.18865	2.0
71.19267	2.3
79.05482	26.7
81.07046	100.0
82.07392	2.2
83.08614	36.5
85.06516	2.3
85.10162	3.6
88.07621	17.6
91.05447	19.8
93.07034	29.6
95.04949	4.8
95.08598	77.0
96.08878	2.2
97.06526	11.5
97.10162	21.7
99.08067	2.1
102.09202	2.6
105.04507	2.0
105.07011	13.4
106.08659	7.8
107.08588	22.8
109.10147	41.2
111.08078	4.5
111.11713	5.4
119.08539	14.4
121.06530	4.3
121.10130	27.3
123.08079	2.8
123.11691	26.3
133.10123	16.4
135.11674	15.1
137.09546	3.8
137.13223	10.5
139.11133	2.3
144.35976	2.0
147.11636	12.8
149.13289	13.6
151.14767	4.4
153.12656	1.9
161.13234	14.3
163.14798	13.4
165.16383	5.6
175.14804	9.0
179.17924	5.5
189.16338	5.9
217.19701	1.9
227.12799	4.1
245.22627	40.1
246.22769	2.2
263.23639	41.0
264.23932	4.4
337.27304	22.6
338.34125	5.7
355.28296	7.6
355.33868	4.8
356.35159	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73787	1.7
53.03923	2.1
55.05255	2.6
55.05508	30.0
57.03423	9.1
57.07077	15.6
58.06590	3.8
60.04509	1.9
62.98256	1.9
67.05497	62.1
69.06702	3.3
69.07061	37.2
69.36475	10.2
70.06593	14.5
71.08613	7.3
79.05485	19.9
81.07050	76.1
81.94604	1.8
83.08612	32.1
85.06557	2.4
85.10179	9.7
88.07619	18.9
91.05464	14.4
92.77033	1.9
93.07047	22.3
95.08595	66.9
96.08917	2.4
97.06509	7.8
97.10142	18.0
98.23315	5.2
102.09167	4.8
105.07027	9.1
106.08653	4.2
107.08582	18.8
109.06478	2.3
109.10147	34.7
111.08087	4.7
111.11731	8.2
113.09622	4.7
119.08553	13.3
121.10123	21.2
123.11696	19.0
125.09567	2.2
125.13228	3.2
133.10130	15.6
135.11678	15.4
137.09663	2.9
137.13252	7.8
147.11673	11.9
149.13243	9.9
151.14804	5.5
153.12704	3.1
161.13158	10.5
163.14795	8.1
165.16400	6.2
167.14355	2.1
175.14824	9.0
188.14374	2.1
189.16315	4.3
213.07033	1.9
245.22626	31.6
246.23100	2.0
263.23694	33.1
299.25754	3.5
337.27240	15.7
338.34171	7.2
355.14938	3.0
355.28561	8.4
355.33762	4.4
356.35168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.4
55.01860	5.1
57.03432	7.9
58.06599	2.2
61.02913	5.8
63.62838	2.0
68.99789	2.5
69.03423	32.2
71.04989	4.2
71.32391	3.3
71.53827	1.8
73.02905	8.2
73.06543	13.9
73.46692	1.8
81.03414	23.4
83.33404	2.2
83.49915	1.9
84.04490	2.1
85.02904	100.0
87.00829	48.7
87.86993	2.4
89.34814	2.0
97.02891	33.1
97.06516	2.0
99.04450	9.4
100.12335	2.0
105.01861	87.5
109.02881	30.4
110.07140	3.2
127.03908	63.0
129.01830	3.9
137.05930	4.6
145.04956	30.0
159.02869	10.7
189.03928	2.8
198.06360	2.2
213.03937	5.1
231.04977	20.5
249.06116	4.2
299.54401	2.3
356.13309	15.8
357.11438	19.3
357.15195	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	356.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73055	1.4
55.46300	1.4
60.05642	9.6
65.47482	1.4
68.05006	2.1
69.03420	11.2
69.86425	4.6
70.06582	100.0
72.08149	30.3
81.03410	7.7
84.04488	14.1
86.06052	2.4
86.73410	1.5
95.06083	1.8
96.04473	6.0
97.07628	6.6
99.04432	5.1
102.04002	2.9
110.07161	2.1
110.09665	40.6
112.08707	26.8
114.10277	20.6
118.03474	2.6
130.04979	2.0
131.12910	29.6
135.09135	2.8
137.10725	1.6
138.09123	4.9
143.06577	1.8
147.07527	1.6
150.21793	1.5
155.11778	15.2
159.06187	2.4
161.07750	5.3
175.11882	10.0
180.11340	3.2
180.40265	1.6
187.05618	6.2
191.18950	1.5
197.13928	3.7
205.06657	3.5
214.16620	3.7
219.01978	2.4
219.70091	1.7
267.08163	3.8
270.97073	1.8
285.09299	4.3
312.20303	13.6
356.19135	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	356.3521
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03942	0.3
54.72424	0.3
55.05508	10.8
57.07071	1.7
58.06581	1.2
61.69714	0.3
62.06077	0.8
67.05492	0.5
69.07062	8.8
70.06583	16.2
70.70808	0.4
71.06896	0.3
71.08615	0.8
71.10012	0.3
73.18345	0.3
83.08606	4.8
88.07623	20.3
97.10149	1.8
102.09177	4.6
106.08650	9.4
136.55869	0.3
184.38461	0.3
200.40440	0.3
211.83420	0.3
255.49811	0.3
294.31335	0.4
310.02728	0.3
312.32532	0.7
338.34116	6.4
339.34314	0.7
356.35178	100.0
357.35477	8.6
363.60547	0.4
365.38217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.3
69.03404	1.3
70.06576	0.7
70.77382	0.6
71.42107	0.9
74.06074	0.9
85.02882	1.1
90.77776	0.7
91.05444	3.5
93.07034	0.6
96.86221	0.6
97.02862	0.8
102.85106	0.6
117.07012	0.9
123.04377	1.4
137.05988	3.4
137.09615	0.7
144.04451	0.7
161.05960	1.4
162.03142	0.6
172.03928	1.8
175.07547	0.8
176.79054	0.6
177.05368	0.9
203.07095	1.0
203.27563	0.6
204.06564	1.5
227.05295	1.4
233.08102	1.1
243.04756	2.0
245.06276	2.6
253.10487	1.1
271.04333	1.9
271.11462	3.8
287.00943	0.8
287.03714	2.9
289.05234	8.7
293.58380	0.7
297.10913	1.3
307.09363	0.6
311.12430	0.8
313.12555	25.9
314.12805	1.6
325.10767	1.9
327.12573	1.0
357.11484	100.0
357.18716	7.1
358.11798	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	357.1329
Annotation	Coniferyl ferulate
Peak:m/z	Relative Intensity
51.02363	0.5
51.73352	0.3
62.38196	0.3
66.09094	0.2
69.75850	0.9
70.36625	0.2
77.03901	0.4
78.04699	0.3
89.03900	6.0
90.55035	0.3
91.05467	0.4
95.04965	1.5
98.23219	0.9
103.05451	56.3
104.05782	1.6
104.67316	0.3
105.04551	0.4
107.04907	0.4
117.03358	17.6
129.09090	0.7
131.04906	100.0
132.05237	2.8
134.03607	1.4
135.04376	1.0
137.05940	0.8
145.02824	39.5
146.03159	1.4
147.04448	0.3
149.05956	4.6
163.07513	30.7
164.07869	1.1
177.05437	58.6
178.05779	1.5
186.05466	1.4
195.06519	0.3
300.89200	0.3
325.81577	0.3
352.75177	0.3
357.13290	15.7
357.20013	7.1
358.13626	1.1
358.20184	0.4
358.33041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
55.01847	0.5
64.49117	0.2
65.03925	0.6
67.05492	0.5
71.42282	0.3
72.28307	0.2
79.05467	0.7
81.03405	0.5
81.07053	0.4
91.05441	1.3
94.04173	2.3
95.04952	0.6
98.03500	0.2
103.05420	0.3
105.07030	0.3
107.04936	0.5
108.02073	0.5
109.06494	0.3
111.04424	0.4
113.15076	0.3
115.05441	1.3
117.06996	1.1
121.06485	0.3
121.53859	0.2
122.03628	7.3
128.56847	0.2
129.06978	0.8
131.04936	0.6
136.01480	0.3
137.05954	100.0
138.06276	2.9
141.05403	0.6
143.04903	6.2
144.04401	0.3
145.06454	0.7
149.05980	0.3
151.03893	19.2
151.05006	2.3
152.04189	0.5
153.05551	0.3
157.06502	0.4
161.05983	0.9
162.06761	0.4
163.07582	0.3
165.05470	0.6
167.07129	0.3
171.04405	0.3
172.03934	1.1
175.07521	2.0
177.09035	0.3
189.09105	0.3
191.07072	0.5
203.06981	3.1
204.06499	1.7
204.13806	0.2
205.08536	2.7
215.06883	0.3
219.07991	0.3
221.05737	0.2
229.21815	0.3
233.08055	0.5
235.07465	0.3
247.07513	0.5
261.09198	0.3
265.08594	0.5
277.08496	0.4
279.10159	0.3
297.11139	1.3
307.09573	0.7
321.11115	0.9
325.10648	1.1
327.12201	12.0
328.12616	0.9
333.72937	0.3
339.12244	1.0
357.13266	18.5
357.18607	1.5
358.13626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
50.79608	0.7
53.68040	0.7
55.01859	2.4
56.47909	0.6
65.03935	1.5
67.05500	0.9
69.46489	0.7
69.46807	3.1
76.17145	0.7
79.05493	2.4
81.07047	1.7
91.05470	4.7
93.03394	1.0
93.07037	1.9
94.04163	1.9
95.04958	1.7
95.08590	2.0
97.96954	0.8
98.22822	1.7
103.05434	1.3
105.07021	3.1
107.04926	0.9
107.08638	0.7
109.06480	0.9
111.04409	1.0
115.05420	3.7
117.06998	1.8
119.08546	1.3
121.06504	10.8
122.03627	5.8
123.04386	1.2
128.06236	1.4
129.06963	1.0
131.04939	1.5
133.02837	0.8
133.06445	2.5
135.04364	0.7
135.08101	0.8
137.05966	76.9
138.06319	1.7
143.04918	5.9
143.08540	1.0
145.10066	1.1
147.08008	1.0
149.09610	3.2
151.03906	15.8
151.04996	1.5
153.05455	1.3
155.06026	0.9
159.08057	1.0
161.05978	3.7
162.06712	2.5
165.05574	1.0
165.06976	2.9
166.07774	1.0
167.07074	4.0
167.08453	1.5
171.07976	1.2
175.07526	4.1
177.09093	31.2
178.07846	1.5
178.09480	1.3
179.07124	0.9
179.08585	1.2
181.06430	1.9
182.07259	2.3
187.07602	0.9
189.07011	1.1
189.09039	0.9
190.07768	1.5
191.06982	1.3
191.08640	2.2
193.06578	1.4
193.08585	6.4
194.07272	2.1
195.08080	1.8
202.07779	0.8
203.06992	4.9
203.10652	3.5
205.06566	1.3
205.08609	2.0
207.08041	2.4
208.08830	2.3
209.05934	2.2
209.09549	0.9
210.06683	3.9
211.07462	1.9
215.07088	1.0
218.07231	2.3
219.08043	3.5
220.05234	0.8
221.05992	3.5
221.09825	0.8
222.06819	2.2
223.07498	2.4
223.11244	0.8
224.08273	2.1
225.09082	4.8
231.08040	1.0
234.06714	1.2
235.07503	3.1
236.08250	4.0
237.05455	1.9
237.09093	2.1
238.06197	5.5
239.06825	1.2
241.08641	1.4
247.07552	2.4
248.08176	1.5
249.05518	1.5
249.09117	1.9
250.06248	2.2
251.07011	6.1
251.10716	2.2
252.07747	5.2
253.08611	5.2
261.09006	1.8
263.07059	1.1
264.07776	2.7
265.08591	3.5
266.05777	1.9
266.09302	1.7
267.06555	1.0
267.10077	1.7
268.07217	1.2
269.07849	1.3
269.11801	1.3
270.08838	1.2
277.08582	1.0
279.06561	3.8
279.10159	5.2
280.07236	1.6
280.10254	0.8
281.08029	13.4
282.08688	1.6
283.09552	1.4
293.08069	1.3
294.08841	1.0
295.06195	1.1
295.09528	0.9
296.10400	1.9
297.11145	8.6
298.08334	1.7
307.09601	3.2
309.11072	1.1
311.09305	1.5
311.12759	5.1
313.10568	1.4
321.11176	1.2
321.22202	1.1
324.10107	0.9
325.10681	59.8
326.11136	4.9
327.12198	12.0
328.12521	1.0
329.13785	2.1
339.12241	7.6
340.12781	0.7
342.11020	1.0
357.13309	54.5
357.18759	100.0
358.13684	4.6
358.19165	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	357.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.7
64.39503	0.4
65.03891	0.6
65.71702	0.5
67.05492	0.9
69.03387	0.5
69.59007	1.1
69.59365	1.1
71.08997	0.4
72.06857	0.5
79.05471	0.6
81.07050	1.5
89.03918	0.4
91.05453	2.5
93.07015	1.3
94.04179	0.7
95.04963	1.4
95.08602	1.7
103.05441	0.8
105.07015	1.6
107.04911	0.7
107.08569	1.2
109.06470	0.6
115.05441	0.9
117.07001	0.8
119.04959	0.7
119.08553	0.6
121.06510	2.0
121.10101	0.5
123.08086	0.8
130.85022	0.5
131.04907	0.7
133.06551	0.7
135.11646	0.5
137.05980	8.3
145.06490	0.8
145.10132	0.6
147.11769	0.7
149.05971	0.9
151.03929	2.7
151.04984	0.8
159.11740	0.5
160.05096	0.7
161.05957	1.5
162.06761	0.7
165.05502	0.8
165.06943	0.6
167.07033	1.6
167.45493	0.5
175.07544	0.9
177.05499	1.6
177.09082	2.5
178.07645	0.8
179.08482	0.5
181.06465	1.2
182.07176	0.7
190.07768	0.6
191.07040	0.6
191.08536	1.0
193.08539	0.6
194.07205	0.9
201.16309	0.6
203.07048	1.8
207.07961	0.7
208.08795	0.7
209.05821	0.7
210.06752	0.8
218.07240	1.1
219.08000	1.4
221.06061	0.7
223.07555	1.1
224.08321	1.2
225.09129	1.0
234.06639	0.6
235.07524	0.9
236.04689	0.5
236.08165	0.9
237.08961	1.0
238.06255	1.3
239.06900	0.7
239.10768	0.5
247.07571	1.1
249.05611	0.6
249.09103	0.5
250.06171	0.6
251.06987	1.7
251.10649	0.9
252.07732	1.3
253.08556	1.7
255.06638	0.6
263.07080	0.7
264.07758	1.2
265.08673	1.1
267.10245	0.7
268.07272	0.9
269.11642	0.5
277.08682	1.0
279.06693	0.8
279.10141	2.5
281.08148	2.9
282.08560	0.7
291.53790	0.5
295.09543	0.9
297.11301	2.4
298.08310	0.7
307.09595	1.5
309.11185	1.0
311.12579	0.9
313.10449	1.0
321.11240	0.8
325.10687	10.6
326.10989	0.9
327.12143	1.4
329.13895	0.8
339.12253	1.0
339.22995	0.9
339.26883	0.7
357.13455	9.9
357.18774	100.0
358.13751	0.7
358.14465	0.9
358.19128	6.7
362.37558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	21.2
57.03431	3.8
71.43851	3.6
85.02871	5.7
95.20502	3.0
98.97577	22.2
110.97578	6.4
116.98623	14.8
125.02351	4.3
128.98643	8.7
130.93344	4.2
134.99597	8.1
143.03279	4.6
147.04399	8.3
147.75739	3.2
153.01797	38.8
153.02908	4.1
154.02155	4.1
163.03859	4.0
165.36412	3.1
178.08672	7.5
186.81053	3.5
190.95345	7.2
196.09673	22.6
197.44362	3.3
214.03722	3.7
219.01736	7.0
232.96422	10.5
237.02789	10.5
244.96500	5.8
270.93066	3.5
274.97427	7.2
286.97482	3.8
303.01236	7.3
304.99637	3.5
334.99606	4.2
351.89371	3.3
358.08865	100.0
358.14722	27.1
359.03415	5.8
359.08871	6.4
359.13007	43.5
376.08911	5.2
376.98315	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	358.1495
Annotation	Bakankoside
Peak:m/z	Relative Intensity
56.96552	5.5
57.03411	0.9
62.30182	0.5
69.03431	3.6
71.41822	0.6
73.02876	0.7
79.01820	2.3
79.05473	0.6
81.03403	1.3
84.04498	0.8
84.96030	0.6
85.01701	0.5
85.02892	2.7
89.03908	1.0
91.05450	2.5
92.05009	0.8
97.02866	1.6
98.97566	10.5
99.04422	1.5
103.05447	0.7
105.06995	1.7
107.01284	0.6
108.08126	2.7
109.02834	0.7
110.06009	1.4
110.97557	1.2
115.05453	0.9
116.98599	6.5
117.05746	3.5
118.06493	0.7
120.08077	1.0
122.06046	0.7
122.09609	0.6
123.06798	12.8
124.07600	1.3
125.02364	0.9
127.03896	1.0
128.98587	1.6
130.06485	1.7
130.93288	1.8
131.07242	0.8
132.08084	8.3
133.05205	1.6
134.05995	6.1
134.99681	3.6
136.07549	4.4
137.05937	1.0
138.05473	3.1
143.03386	1.5
144.48184	0.6
146.99611	0.9
147.04414	0.6
147.06758	5.8
148.07555	23.5
149.08304	1.1
150.05450	3.2
150.09132	10.8
152.05933	1.0
152.07059	10.1
153.00642	0.4
153.01816	13.4
153.02960	0.7
153.07788	1.4
154.02129	1.2
160.07564	17.4
161.01152	0.8
161.07933	0.9
163.03879	2.4
163.06190	1.1
166.08624	3.1
172.93021	0.6
172.94322	3.5
174.97638	0.8
176.09961	0.5
177.64793	0.5
178.08614	54.1
179.08989	1.3
180.10217	1.0
188.99196	0.8
189.99245	0.6
190.95369	5.1
192.98648	1.2
196.09668	100.0
197.09976	1.9
204.96994	0.8
208.00374	1.0
208.96452	2.0
209.55441	0.9
212.94009	0.5
214.95432	2.2
215.02184	0.7
216.96864	0.6
216.98727	1.2
226.98572	0.8
230.94939	3.7
232.96368	9.0
233.98598	2.8
234.97878	1.0
234.99992	1.2
237.02852	0.7
248.95978	5.2
249.01331	0.7
250.97432	4.6
252.96941	1.1
260.04266	0.8
274.97089	5.1
275.97687	0.7
286.99170	0.6
287.99493	1.7
288.99042	0.8
290.96817	0.6
292.95398	0.7
292.98557	1.8
303.01425	3.0
304.99628	0.6
315.95624	0.9
315.98962	4.3
316.08807	0.8
316.94971	2.5
316.98703	2.6
332.96112	0.7
333.96701	2.0
334.00009	2.2
334.96017	2.0
334.99881	1.7
335.06473	0.6
340.98798	0.9
358.14920	90.5
358.99893	0.7
359.15295	5.2
375.97787	1.8
376.97995	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	5.5
57.03411	0.9
62.30182	0.5
69.03431	3.6
71.41822	0.6
73.02876	0.7
79.01820	2.3
79.05473	0.6
81.03403	1.3
84.04498	0.8
84.96030	0.6
85.01701	0.5
85.02892	2.7
89.03908	1.0
91.05450	2.5
92.05009	0.8
97.02866	1.6
98.97566	10.5
99.04422	1.5
103.05447	0.7
105.06995	1.7
107.01284	0.6
108.08126	2.7
109.02834	0.7
110.06009	1.4
110.97557	1.2
115.05453	0.9
116.98599	6.5
117.05746	3.5
118.06493	0.7
120.08077	1.0
122.06046	0.7
122.09609	0.6
123.06798	12.8
124.07600	1.3
125.02364	0.9
127.03896	1.0
128.98587	1.6
130.06485	1.7
130.93288	1.8
131.07242	0.8
132.08084	8.3
133.05205	1.6
134.05995	6.1
134.99681	3.6
136.07549	4.4
137.05937	1.0
138.05473	3.1
143.03386	1.5
144.48184	0.6
146.99611	0.9
147.04414	0.6
147.06758	5.8
148.07555	23.5
149.08304	1.1
150.05450	3.2
150.09132	10.8
152.05933	1.0
152.07059	10.1
153.00642	0.4
153.01816	13.4
153.02960	0.7
153.07788	1.4
154.02129	1.2
160.07564	17.4
161.01152	0.8
161.07933	0.9
163.03879	2.4
163.06190	1.1
166.08624	3.1
172.93021	0.6
172.94322	3.5
174.97638	0.8
176.09961	0.5
177.64793	0.5
178.08614	54.1
179.08989	1.3
180.10217	1.0
188.99196	0.8
189.99245	0.6
190.95369	5.1
192.98648	1.2
196.09668	100.0
197.09976	1.9
204.96994	0.8
208.00374	1.0
208.96452	2.0
209.55441	0.9
212.94009	0.5
214.95432	2.2
215.02184	0.7
216.96864	0.6
216.98727	1.2
226.98572	0.8
230.94939	3.7
232.96368	9.0
233.98598	2.8
234.97878	1.0
234.99992	1.2
237.02852	0.7
248.95978	5.2
249.01331	0.7
250.97432	4.6
252.96941	1.1
260.04266	0.8
274.97089	5.1
275.97687	0.7
286.99170	0.6
287.99493	1.7
288.99042	0.8
290.96817	0.6
292.95398	0.7
292.98557	1.8
303.01425	3.0
304.99628	0.6
315.95624	0.9
315.98962	4.3
316.08807	0.8
316.94971	2.5
316.98703	2.6
332.96112	0.7
333.96701	2.0
334.00009	2.2
334.96017	2.0
334.99881	1.7
335.06473	0.6
340.98798	0.9
358.14920	90.5
358.99893	0.7
359.15295	5.2
375.97787	1.8
376.97995	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	12.3
63.02701	1.9
71.41495	2.8
93.07304	2.2
98.97575	100.0
99.97898	1.9
116.98608	39.0
119.01926	2.8
130.93320	2.6
134.99646	14.8
156.96558	2.8
172.94319	20.0
174.97690	12.0
190.95421	15.7
192.98694	5.9
198.97707	3.1
208.96521	4.0
214.95413	16.4
216.98695	34.7
232.93129	2.7
232.94014	3.8
232.96458	54.8
233.96747	3.7
234.96120	7.2
234.97185	3.4
234.99721	49.0
235.99875	4.2
240.98840	2.0
250.94592	3.0
250.97485	32.5
251.94829	2.2
251.97736	2.6
252.97197	8.9
256.96655	18.2
258.99750	19.3
259.99915	3.0
261.03088	2.1
263.02795	2.9
268.94925	2.2
274.94504	4.8
274.97601	42.5
275.97806	4.1
276.97861	3.7
277.00748	26.0
292.95184	7.7
292.98651	17.1
293.95734	4.8
298.97708	51.0
299.97791	3.6
316.95099	18.5
316.98810	74.7
317.95325	2.6
317.98975	8.4
334.96216	30.4
334.99866	4.6
340.98703	29.0
341.98779	3.4
354.01868	2.2
358.96542	4.1
358.99847	76.6
359.04099	4.0
360.00052	9.7
376.97162	18.2
377.01572	4.0
377.97382	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0757
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
56.55232	0.5
71.42564	0.6
73.07610	0.6
79.99625	0.5
117.22115	0.4
132.71967	0.5
155.04868	1.5
157.06508	0.9
171.04500	0.8
173.05974	0.9
183.04413	1.5
185.06020	1.4
186.03221	0.5
199.03897	1.4
201.05486	0.9
202.02643	0.5
211.03951	1.1
213.01927	0.5
213.05443	3.0
215.03442	0.5
217.04991	1.6
226.02664	1.2
227.03421	2.6
229.05022	1.5
230.02071	1.4
241.01308	2.1
241.04922	1.1
242.02084	0.8
245.04434	2.0
254.01962	0.8
255.02876	2.1
257.04355	3.6
258.01593	1.2
259.02475	0.7
264.30475	0.5
267.02835	1.1
269.00790	2.8
269.03293	0.5
270.01602	3.9
271.02368	1.0
273.03857	3.7
274.04340	0.6
282.01465	0.6
283.02402	2.1
284.03143	2.4
285.03922	9.6
286.01035	8.9
286.04147	0.8
287.01874	0.8
297.00241	1.0
298.04623	0.8
299.02243	0.7
299.05408	3.8
299.12524	0.8
300.02640	1.5
300.06210	1.4
301.03421	8.2
303.04971	0.8
311.01889	1.2
313.03394	10.8
314.00620	0.6
315.04971	2.7
316.05612	0.5
326.04242	2.0
326.77194	0.5
328.01929	1.2
328.05731	16.7
329.02884	17.5
329.06070	0.8
330.03348	1.0
343.04568	5.5
344.05228	28.7
345.05658	1.9
359.07581	100.0
360.07910	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
67.05489	2.9
69.03407	1.6
69.07037	1.4
71.04977	1.2
79.05476	1.8
81.03394	1.4
81.07058	5.3
83.04984	1.4
83.08628	0.9
85.02861	2.2
85.06508	1.4
91.05466	2.6
93.07018	3.1
95.04934	2.1
95.08585	3.8
97.02889	0.8
97.06538	1.8
98.22788	0.8
103.05436	1.2
105.07018	2.8
107.04931	1.4
107.08575	2.4
109.02854	2.1
109.06491	3.8
109.10142	1.4
111.08078	2.0
117.07014	0.9
119.08556	2.2
121.06487	1.7
123.08073	1.5
127.03880	1.2
128.06166	1.0
130.87312	0.8
131.08554	2.4
133.10083	2.0
135.08025	1.5
137.05934	2.8
143.08551	1.2
145.06427	1.5
145.10143	2.6
147.11688	1.1
151.03864	1.3
155.08594	0.9
157.10088	1.6
159.08009	0.9
159.11644	1.2
161.13206	1.6
171.08002	1.3
171.11642	0.9
173.09592	3.3
179.14339	1.5
183.11832	1.0
186.10399	1.0
191.10623	2.0
192.79420	0.9
207.11760	0.9
209.11789	1.3
213.12691	1.3
231.13765	4.8
249.14807	7.2
253.15282	1.0
271.04282	1.5
273.13013	2.4
283.16989	1.5
299.09180	0.9
313.10593	1.4
315.14087	18.0
323.19919	1.4
339.47385	1.0
341.20981	2.9
359.13052	100.0
359.22113	11.3
360.13306	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	359.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05486	0.4
59.45333	0.4
67.05485	1.4
69.03423	1.5
71.04984	0.7
73.02904	1.0
73.06536	0.8
76.33693	0.5
79.05447	0.6
81.03398	1.0
81.48014	0.5
83.04967	2.1
84.04482	0.7
85.02908	3.0
87.00781	0.7
89.06001	0.7
91.05475	1.4
95.04959	0.5
97.02865	1.4
98.06079	0.5
101.06012	1.5
103.05455	1.2
105.01833	0.7
105.06992	0.5
107.04955	0.7
110.00638	0.4
113.05984	5.6
117.09139	0.6
119.04916	0.8
122.83958	0.4
127.03895	1.4
130.04977	0.6
131.04918	2.0
133.02800	0.5
135.04367	0.8
136.07477	0.4
137.05992	3.0
139.03929	0.8
145.04947	0.6
147.04375	1.4
153.05388	0.5
155.07060	0.6
159.08061	0.5
161.05975	1.7
163.03886	1.5
163.07564	1.3
175.07561	1.6
179.03377	0.6
179.07039	0.8
179.08557	0.5
179.12842	1.2
180.13077	0.5
181.04904	1.0
187.07535	1.0
197.04599	0.5
197.07861	6.5
198.11247	0.6
205.02112	0.5
250.31204	0.5
279.10132	0.7
285.11441	0.6
297.11313	1.0
301.12451	0.9
311.12692	1.0
359.13043	100.0
359.16797	10.0
360.13275	5.0
360.16873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74524	0.8
55.05485	0.9
62.39159	0.9
67.05491	1.1
69.03411	1.3
69.16408	2.0
69.16819	3.9
73.87585	0.8
79.05491	2.1
80.47543	0.9
81.03376	1.1
81.07037	3.0
85.02898	2.4
91.05466	1.4
93.07045	1.7
95.04943	2.0
95.08593	3.2
97.02843	0.9
97.06541	1.2
105.07053	2.3
107.04939	1.0
107.08577	2.6
109.02876	1.7
109.06513	4.1
109.10165	1.4
111.08044	2.0
118.29008	0.9
119.08544	1.7
121.10155	0.9
123.11613	0.9
124.77310	0.8
127.03802	0.9
129.06987	1.3
131.08537	1.1
133.10112	1.4
135.04453	0.9
137.05986	1.9
143.08533	1.1
145.10114	2.2
147.07988	1.9
151.03951	1.6
159.11665	1.0
165.07083	1.2
169.10092	1.4
173.09570	1.0
213.12680	1.2
231.13821	3.0
249.14790	5.8
271.04251	2.6
273.13196	2.0
315.14081	17.0
323.20142	1.6
341.10165	1.2
341.13922	2.0
341.21112	1.9
359.13052	100.0
359.22107	8.4
360.13681	4.5
360.22525	1.1
370.33368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98645	0.5
55.05486	0.6
56.96285	0.8
56.96556	11.7
69.07057	4.4
70.07137	0.5
71.95259	0.7
84.96024	0.9
91.05508	0.6
95.05001	0.4
97.96796	12.8
98.97570	100.0
107.04961	0.4
110.97565	8.4
111.04429	0.5
115.97829	5.7
116.98609	61.7
117.06995	0.6
125.77700	0.4
128.98596	12.0
130.62073	0.4
131.00146	0.9
132.01357	0.5
133.43579	0.5
133.98872	1.8
134.99641	26.7
137.05965	2.2
140.00212	2.2
146.99635	7.8
151.03952	0.9
152.00171	0.7
153.00693	2.8
153.05452	0.5
158.01256	1.2
158.99634	32.5
159.07973	0.5
161.05965	0.5
162.99158	0.8
165.00697	0.8
167.07153	0.6
170.01305	0.5
170.99577	2.6
177.00691	49.0
181.35283	0.6
189.00682	18.1
195.01753	3.1
195.08044	0.6
200.02316	2.9
202.07713	0.5
207.01741	9.3
212.02338	0.6
219.01678	0.5
223.01239	0.7
227.09586	2.1
230.03362	1.0
237.09076	0.5
239.09529	2.3
240.07718	0.7
245.10617	4.9
247.01236	2.1
249.02908	0.9
253.08604	1.8
257.10617	6.0
263.11435	1.0
265.02338	6.6
269.10562	5.4
275.11703	1.1
281.08023	0.6
283.03406	0.8
283.09531	0.6
287.11624	5.3
299.11713	2.8
313.10645	1.9
313.14331	1.4
317.12796	1.7
327.12219	2.4
335.13846	0.5
341.13702	0.7
341.19443	0.5
359.13907	13.8
360.14374	1.2
377.14804	8.5
378.15149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
55.01872	3.5
58.54077	1.0
65.03935	2.4
69.33176	5.6
79.05496	4.8
81.07056	1.6
86.09727	1.4
91.05473	26.2
93.07053	3.5
94.04200	5.3
95.04961	5.0
98.22797	3.1
103.05461	7.3
105.03410	3.1
105.07014	10.5
107.04947	5.6
109.06517	4.9
115.05445	4.8
117.07020	2.9
119.04925	24.3
119.05724	1.7
119.08569	2.0
121.06480	5.8
122.03642	9.0
123.08083	3.3
124.05191	1.2
129.06990	1.8
131.04939	8.0
131.08551	1.4
133.06445	5.4
135.04391	2.8
137.05962	100.0
138.06320	3.4
143.04959	1.9
145.06439	2.7
147.04385	13.1
147.08043	4.1
149.05959	10.1
150.06711	2.0
151.03952	3.3
151.07524	9.7
159.08063	4.8
160.05186	3.4
161.05960	22.7
162.06688	8.9
163.07559	4.5
172.05074	2.3
173.05933	1.4
174.06772	1.1
175.07538	18.1
178.07901	1.7
179.07057	7.9
179.08409	1.4
187.07509	14.0
189.08965	2.6
191.08565	4.3
193.06844	1.3
193.08583	6.4
203.08528	3.3
205.08575	11.7
207.08069	1.6
208.82614	1.0
219.08086	6.4
231.08051	4.4
231.13829	1.7
235.07518	1.7
236.08269	1.4
237.09100	1.2
247.07539	3.5
249.14838	1.4
251.08183	1.0
251.10526	6.0
253.08725	1.4
259.07553	3.0
260.08194	1.4
263.10620	1.7
279.10059	4.4
280.10831	1.2
291.10083	3.4
296.10410	3.0
297.11163	1.5
299.12634	1.8
309.11221	5.5
311.12683	4.0
315.14075	1.7
323.12781	1.4
341.21201	2.0
351.51093	1.3
359.12860	10.7
359.22110	4.7
360.13376	1.4
373.59637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Prestegane B
Peak:m/z	Relative Intensity
50.74504	1.9
53.03931	2.6
55.01871	2.6
57.03438	2.0
65.03940	3.5
70.56272	2.3
79.05477	5.6
91.05467	20.6
93.07057	2.6
94.04179	3.4
95.04984	2.9
103.05466	6.5
105.03385	5.1
105.06989	9.7
105.60079	2.2
107.04946	5.4
109.06479	7.0
111.04413	1.9
115.05408	5.4
117.06995	4.3
119.04922	25.1
121.06481	3.6
122.03631	7.0
129.07031	3.2
131.04900	5.4
132.05692	2.9
133.02800	2.4
133.06494	8.5
135.08046	3.3
137.05954	100.0
138.06274	2.4
143.04967	2.2
144.05672	2.2
145.06506	2.4
147.04381	19.1
147.08070	3.8
149.05949	13.4
151.07518	10.7
152.28542	2.1
159.08014	5.4
160.05151	2.9
161.05954	25.8
162.06693	7.6
163.07524	2.8
167.07050	4.1
172.05255	2.4
174.06709	2.5
175.07539	24.0
176.07970	2.2
179.07028	10.5
181.04913	10.2
182.07127	2.0
187.07518	18.0
191.08527	4.8
193.08617	7.0
195.08025	4.8
203.08472	2.6
205.08525	13.3
206.07242	2.0
207.08145	2.7
210.06689	2.4
219.07982	8.0
220.08759	2.3
221.09541	5.8
223.07428	3.6
224.08380	2.8
225.09016	3.4
227.07120	2.3
231.08005	5.5
235.07442	2.6
237.09160	3.6
238.09880	4.8
239.06812	2.5
240.07755	3.2
241.08401	2.1
247.07401	4.4
248.08276	3.5
249.08992	4.2
251.10638	5.1
252.07681	2.8
253.08553	5.5
255.06522	3.4
257.08023	4.5
259.07358	3.0
263.10327	1.9
265.08539	4.5
266.09372	2.0
267.10065	4.6
269.07919	5.8
279.10095	5.9
281.07919	4.1
281.11584	3.7
283.09555	6.5
285.07373	2.4
291.10175	5.4
296.10397	5.3
297.07513	3.3
298.08307	5.2
299.12466	3.3
300.09772	7.5
309.11118	8.3
311.12686	4.8
313.10596	35.4
313.14267	29.9
323.12598	3.3
326.11304	2.5
327.12091	5.2
331.15256	7.6
341.13745	26.6
359.14832	38.8
360.15134	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	359.1487
Annotation	Polystachyne C
Peak:m/z	Relative Intensity
53.03926	2.3
53.35704	1.4
55.01863	2.9
55.05500	7.5
57.03437	2.7
65.03931	6.0
65.13636	1.4
67.05495	10.9
69.03075	1.9
69.03423	8.5
69.07059	6.2
69.83599	1.7
69.83929	4.7
71.04983	3.7
79.05489	9.7
81.03416	10.5
81.07046	21.1
82.92771	1.5
83.04967	4.0
83.08607	3.8
85.02917	7.4
90.47028	1.5
91.05467	10.9
93.03410	3.3
93.07028	7.3
95.04962	6.2
95.08592	15.4
97.02885	4.8
97.06523	6.3
98.23355	1.8
99.04459	3.2
103.05503	1.7
105.07015	9.1
107.04943	7.0
107.08566	2.0
109.02879	4.3
109.06512	3.4
109.10143	5.4
110.03653	6.5
111.04427	7.3
111.08062	2.4
117.07038	4.1
119.04919	2.7
119.08579	9.4
121.02858	25.6
121.06522	4.5
121.10144	3.7
123.08079	3.4
125.05969	10.0
127.03914	3.9
128.06238	1.9
129.07010	2.7
131.08542	3.3
133.02861	1.8
133.06493	3.8
133.10144	6.9
135.08041	4.8
135.11661	2.9
137.05981	3.7
141.06996	4.1
143.08522	1.9
144.05670	2.3
145.06497	3.0
145.10104	1.6
147.08022	2.1
149.02367	5.2
149.05991	2.8
151.03903	2.4
151.07571	5.1
152.06216	2.3
153.05470	10.7
153.06747	2.3
155.08601	2.1
159.08025	7.2
159.11641	2.0
161.05972	3.6
161.09625	4.1
161.13281	10.4
162.06775	3.3
163.07516	2.2
165.06953	8.1
166.07794	3.7
167.07002	5.1
167.08524	3.1
169.06430	3.5
171.06590	2.8
171.08022	2.1
173.05898	1.9
173.09477	1.6
173.11679	2.8
177.06984	2.0
177.09132	2.4
178.07802	5.1
179.08551	4.1
179.14330	5.6
181.04970	13.6
181.06483	6.1
182.07257	8.0
183.08078	5.9
184.05205	2.1
184.08720	1.8
187.07576	3.2
193.10188	3.3
194.07268	5.7
195.07999	11.9
196.08849	1.9
197.05933	7.5
197.09619	3.6
197.15413	2.3
199.07564	2.4
202.07838	3.2
203.08586	1.9
205.06480	3.5
206.07259	4.2
207.08095	4.4
209.05992	3.1
209.09615	3.4
210.06758	10.1
210.10277	2.7
211.07451	8.5
211.11180	2.1
212.08334	3.6
213.09032	2.0
214.06230	1.6
218.07228	2.1
219.08049	3.1
220.08899	2.5
221.05962	4.1
221.09532	12.0
222.06708	4.5
222.10202	2.6
223.07452	14.2
224.08334	6.8
225.05469	3.5
225.09056	10.1
225.12537	1.7
227.07040	7.7
227.10645	2.7
234.06821	4.8
235.07559	4.4
236.08257	2.5
237.09042	10.7
237.14706	1.8
238.06230	6.5
238.09874	11.9
239.06932	11.8
239.10603	4.4
240.07777	31.3
241.08528	7.2
242.05832	2.3
249.05298	1.9
249.09088	9.2
249.11317	1.8
250.09863	2.4
251.07056	9.7
251.10648	4.2
252.07758	5.7
253.08611	52.7
253.12231	14.6
254.06326	2.1
254.09233	9.9
255.06543	6.7
255.10078	13.0
257.08160	6.5
265.08624	5.4
266.05750	1.6
266.09409	9.6
267.06610	2.4
267.10144	9.4
268.07349	7.1
269.07986	10.9
270.08865	6.0
271.13290	3.7
277.08426	2.7
279.06686	2.3
281.08121	12.0
281.11737	18.4
282.08932	3.6
283.06549	2.5
283.09616	20.0
284.10370	11.8
285.11197	4.7
285.14529	2.1
287.16595	2.1
293.07980	1.7
294.09055	2.5
295.09720	4.4
297.07498	4.6
297.10944	3.7
298.08377	6.0
298.11908	3.6
299.09351	3.0
299.12723	24.5
300.09882	11.1
305.17502	4.5
309.11191	13.2
310.11832	6.0
311.09103	2.8
313.10690	57.3
313.14349	38.2
314.11053	4.2
314.14594	3.2
323.18591	5.6
326.11575	5.2
327.12247	100.0
328.12772	9.4
331.15375	16.7
341.13812	36.8
341.19604	3.9
359.14877	74.6
359.27090	3.5
360.15146	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	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.7
62.52019	1.2
62.63308	1.2
65.03936	1.3
66.04711	1.4
67.05499	1.4
69.07042	1.5
69.26041	7.9
76.85139	1.5
79.05480	5.7
81.07043	2.8
86.09683	1.7
91.05474	27.3
93.07031	4.9
94.04181	4.4
95.04942	4.6
98.23267	4.0
103.05455	13.1
105.03375	2.4
105.04504	1.6
105.07014	11.6
107.04945	10.3
107.08566	2.4
109.06517	7.7
112.41058	1.3
115.05450	4.1
115.21035	1.3
116.06152	1.3
117.06992	3.9
119.04919	22.5
119.08549	2.7
121.06482	6.6
122.03594	9.4
123.08019	1.4
128.06187	2.3
129.06995	3.2
130.04089	1.4
131.04939	12.5
131.08565	2.5
132.05722	2.0
133.06499	8.4
133.10191	1.5
134.03592	1.4
135.04379	2.3
135.08026	1.7
137.05962	100.0
138.06287	3.6
143.04958	1.6
144.05733	2.0
145.06439	3.4
145.10088	2.9
147.04382	14.4
147.08011	3.8
147.11710	2.1
149.05991	12.9
150.06772	1.8
151.03874	1.4
151.07524	13.0
159.08038	3.9
160.05177	3.3
160.62505	1.2
161.05965	24.5
162.06723	6.7
163.07483	5.5
165.05472	1.7
167.07076	1.8
171.08072	1.8
172.05101	2.6
173.06012	1.8
173.09613	2.8
175.07516	17.4
179.07010	9.4
179.08463	2.4
187.07520	18.2
187.37804	1.4
190.06169	1.5
190.07735	2.8
190.12654	1.3
191.08553	3.4
193.08524	8.3
202.07678	2.0
203.08519	2.8
205.08618	10.3
207.08061	1.7
210.06651	1.5
211.07402	1.4
213.12679	1.3
217.08667	1.8
219.08037	5.8
220.08804	1.5
223.07524	1.7
225.09055	1.6
231.08022	4.5
241.08490	1.3
247.07426	4.1
248.08229	2.1
251.10661	4.6
253.08516	1.9
259.07510	3.0
263.06992	1.3
263.10699	1.6
264.07709	1.4
279.10199	6.0
280.10739	1.7
281.07953	1.6
291.10147	2.7
296.10327	4.2
297.11279	1.4
299.09180	2.0
299.12668	3.0
309.11096	6.6
311.12653	4.9
323.12531	2.2
323.19751	1.5
341.10034	2.0
341.21127	1.7
344.19763	2.6
359.17596	2.1
359.22018	16.4
360.22458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Leptolide
Peak:m/z	Relative Intensity
55.01868	1.2
58.92603	1.0
63.60461	0.9
65.03942	6.2
67.05501	2.3
69.03415	1.7
69.07060	1.3
69.38708	2.1
69.39094	2.5
79.05520	1.6
79.93171	1.3
82.04194	1.8
85.02894	1.7
91.05486	2.3
91.19500	1.2
93.03406	2.1
93.07031	1.3
95.04940	1.9
95.08607	1.3
98.44682	1.3
100.76875	1.0
103.05437	2.0
105.07052	1.2
107.04961	3.6
110.03658	3.5
111.04428	3.0
115.05395	1.3
115.53536	1.0
121.02878	2.8
121.06496	1.9
125.05970	2.5
128.06221	1.7
129.07010	1.9
130.40970	1.2
131.04932	1.2
131.08580	1.5
135.08046	5.5
137.05952	2.0
144.05714	3.2
145.06461	1.9
146.07275	1.3
147.08009	2.1
151.07481	1.2
153.01785	7.0
153.05460	4.5
153.06943	2.0
159.08070	7.1
161.05942	1.8
161.09599	2.1
163.07494	1.3
165.07002	4.0
166.07855	1.1
167.07040	6.5
167.08524	3.6
168.09338	1.2
171.06529	4.3
171.07912	1.3
177.06949	1.4
177.09160	1.8
178.07793	3.0
179.08524	2.9
181.04970	32.9
181.06494	5.5
182.07314	1.6
183.08040	1.6
185.09486	1.2
191.08577	2.8
193.06331	2.0
194.07210	3.0
195.08015	9.8
197.05995	3.7
197.09586	2.2
198.06560	1.4
202.07761	1.1
205.06615	1.9
206.07164	3.0
207.08002	3.4
209.05936	3.4
209.09615	4.4
210.06783	2.9
210.10284	1.5
211.07544	5.5
212.08316	2.7
213.08977	1.9
213.82298	1.2
219.07977	3.1
220.08760	3.5
221.06009	2.4
221.09569	11.8
222.06743	3.1
222.10300	2.8
223.07515	10.3
223.11043	1.3
224.08350	5.9
225.05475	2.2
225.09219	6.0
225.10931	1.2
226.06181	1.5
227.07066	3.7
227.10715	4.3
234.06708	3.4
235.07555	3.6
237.05405	1.5
237.09068	8.8
238.06219	1.9
238.09900	10.9
239.06979	6.6
239.10632	3.4
240.07817	9.5
241.08556	4.5
242.05711	3.0
248.08429	1.9
249.09056	8.4
249.11299	1.2
250.06201	1.4
250.09773	3.4
251.07001	8.6
252.07753	8.1
253.08578	15.8
253.12175	7.2
254.09225	2.7
255.06482	8.6
255.10167	7.6
257.08102	10.0
257.10611	1.4
257.11575	1.2
265.08591	6.3
266.05737	1.3
266.09250	6.8
267.06616	1.4
267.10196	7.8
268.07309	4.3
269.08102	14.2
270.08804	4.6
272.10568	1.3
280.07352	1.7
280.10553	1.2
281.08130	7.7
281.11710	9.2
282.12271	1.4
283.06073	4.6
283.09677	19.5
284.10315	2.1
285.07520	6.3
285.10538	1.1
295.09619	2.3
297.07593	8.9
298.08331	13.4
298.11829	2.9
299.09335	1.2
299.12711	4.1
300.09894	27.4
301.10416	2.0
309.11243	5.6
310.11880	1.9
311.09183	2.2
313.10669	100.0
313.14337	73.1
314.11029	9.1
314.14703	5.5
325.10699	2.2
326.11411	8.2
327.12180	11.1
328.12695	1.5
331.15353	25.6
332.15649	1.3
341.13806	61.3
342.14114	3.7
359.14874	89.6
359.23257	5.1
360.15283	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	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01860	2.5
55.05499	2.2
58.72904	1.1
61.72470	1.0
64.32948	1.0
65.03932	8.2
67.01345	1.0
67.05483	3.7
69.03418	2.1
69.10406	2.3
69.10805	5.5
77.74044	0.9
79.05478	3.5
81.03426	1.1
81.07056	3.2
85.02892	2.4
89.56860	1.1
91.05479	4.1
93.03393	3.7
93.07040	2.9
95.01305	1.2
95.04944	4.7
95.08599	3.0
97.02872	1.6
97.06548	1.7
99.04417	1.0
103.05453	1.2
105.03329	1.2
105.06984	2.6
107.04928	6.8
109.06500	1.0
110.03646	7.6
111.04424	6.2
115.05473	2.0
117.06995	1.2
119.08565	2.3
121.01968	1.2
121.02855	24.7
121.03833	2.2
121.06506	2.5
121.10145	1.9
122.24654	1.0
123.04368	1.6
123.11624	1.0
125.05974	8.1
127.03837	1.0
128.06190	1.6
129.06953	1.3
131.04916	2.3
131.08549	1.7
132.05714	1.2
133.02844	1.5
133.10110	2.0
135.04430	1.3
135.08038	3.2
136.98824	0.9
137.05933	2.5
138.03088	1.1
141.06950	2.7
143.08621	1.7
144.05695	2.5
145.06474	3.2
145.10165	1.3
146.07219	1.1
147.08049	2.4
149.02328	7.4
151.03896	2.4
151.07483	1.3
152.06223	2.1
153.05463	12.4
153.06952	2.7
154.07782	2.0
155.08517	1.2
157.10220	2.1
158.07324	1.1
159.08055	6.2
161.05974	2.7
161.09599	4.8
161.13219	1.5
162.06764	2.9
165.06976	8.8
166.07776	3.9
167.07008	5.0
167.08531	5.6
168.05737	2.9
169.06485	4.3
171.08066	2.5
175.07538	1.3
177.05400	1.2
177.06979	2.1
177.09001	1.2
178.07722	5.2
179.08487	3.6
181.04933	14.9
181.06479	8.6
182.07242	6.9
183.08038	5.0
184.05231	1.5
184.08749	2.0
185.09818	1.2
187.07542	2.2
188.08244	1.0
189.06902	1.5
190.07687	1.8
191.08553	3.3
193.06476	2.1
193.10133	2.5
194.07222	5.4
195.08023	14.4
196.08679	2.0
197.05957	11.4
197.09590	3.7
198.06613	2.4
199.07510	2.2
202.07831	1.7
203.08549	3.1
205.06540	2.7
206.07214	3.7
207.07954	6.0
208.08841	1.9
209.05885	4.7
209.09566	3.3
210.06720	14.5
210.10344	2.5
211.07507	10.1
212.08275	7.3
213.09161	2.3
219.08104	2.3
219.10016	1.2
220.08719	2.5
221.05986	3.0
221.09529	10.4
222.06717	4.9
222.10349	4.6
223.07497	16.2
223.10977	1.9
224.08295	7.4
225.05489	4.7
225.09053	11.6
226.06073	1.7
226.09596	1.4
227.07034	8.2
227.10640	3.1
228.07683	1.6
229.08543	1.1
234.06743	4.3
235.07558	4.1
236.08272	3.6
237.05467	2.2
237.09070	13.2
238.06204	9.2
238.09801	12.2
239.06976	13.7
239.10609	3.6
240.07777	35.0
241.08490	7.0
242.05737	1.7
242.09302	1.5
248.08365	2.6
249.09039	6.2
250.09802	3.6
251.07043	8.7
251.10619	1.3
252.07794	8.3
253.08585	60.4
253.12219	17.0
254.09241	12.5
254.11784	1.6
255.06401	8.2
255.10115	13.6
257.08057	8.4
257.11716	1.1
263.06848	1.3
263.10593	1.6
265.08630	5.8
266.06741	1.4
266.09308	9.1
267.06519	4.2
267.09998	7.0
268.07275	8.8
269.08032	14.8
270.08838	7.0
270.11789	1.7
271.09598	1.6
271.13260	2.1
277.08566	1.7
278.09381	1.3
279.06418	1.4
280.10712	1.3
281.08078	11.6
281.11691	15.6
282.08780	5.0
282.12299	2.6
283.06085	3.6
283.09598	24.9
284.10382	8.4
285.07632	4.3
285.11081	5.4
285.14557	2.5
294.08759	2.8
295.09644	4.0
297.07663	4.8
297.11203	4.3
298.08319	6.8
298.11972	5.4
299.09409	1.8
299.12701	23.4
300.09946	12.5
300.13116	1.4
301.10645	2.2
303.16040	2.3
309.11124	14.5
310.11929	4.8
311.09305	1.9
313.10645	59.9
313.14319	37.7
314.11002	4.9
314.14740	4.0
326.11380	3.8
327.12225	100.0
328.12869	11.2
331.15347	21.8
332.15652	1.2
341.13791	33.0
342.14297	3.8
359.14835	75.8
359.27249	2.9
360.15164	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	359.1487
Annotation	Leptolide
Peak:m/z	Relative Intensity
55.72128	0.7
59.87547	0.7
65.03933	2.5
67.05518	1.3
69.07091	0.9
81.07027	0.8
82.04186	0.8
82.26762	0.7
85.02905	1.9
86.30568	0.7
91.05471	2.5
93.03420	0.8
95.04991	1.1
97.06530	1.5
105.07010	1.5
107.04941	2.0
110.03644	1.9
111.04419	1.2
117.06999	1.0
119.08568	1.4
121.02861	2.1
121.06541	1.6
125.05996	1.2
131.08589	0.8
135.08061	2.7
135.11719	0.9
137.05957	1.4
144.05695	2.2
145.06512	1.7
152.06180	1.2
153.01823	0.8
153.05463	2.4
153.06892	0.8
156.76796	0.7
159.08025	5.3
161.05991	2.2
161.09586	1.8
165.05664	0.9
165.06979	2.6
166.07669	0.9
167.07048	5.4
167.08496	1.9
169.06499	1.1
171.06540	1.8
177.06958	0.9
177.09094	1.3
178.07808	2.7
179.08571	1.9
181.04942	30.5
181.06412	3.3
182.05208	0.9
182.07271	1.3
183.08029	1.6
184.08784	1.2
187.07558	1.3
190.07756	0.9
191.08553	2.3
193.10059	0.9
194.07332	1.9
195.08047	8.6
197.06012	3.5
197.09624	1.7
199.07483	0.9
203.08562	1.4
205.06436	1.7
206.07246	3.1
207.08086	2.0
209.06021	2.3
209.09674	3.3
210.06789	2.4
210.10431	2.2
211.07574	3.5
212.08310	3.3
213.09149	1.3
219.08020	1.0
220.08780	1.8
221.06110	1.1
221.09598	9.8
222.06694	2.6
222.10335	2.5
223.07506	9.1
223.10999	0.9
224.08209	4.2
225.05418	1.0
225.08987	4.1
227.07034	3.1
227.10579	1.8
233.06024	1.0
234.06804	1.0
235.07437	2.1
237.05455	1.4
237.08998	6.0
238.06342	1.1
238.09839	8.0
239.07004	3.8
239.10536	1.3
240.07813	6.1
241.08524	2.6
242.05734	2.4
248.08315	1.1
249.09064	5.8
250.09866	2.8
251.07011	5.0
251.10590	2.1
252.07803	6.6
253.08565	11.0
253.12088	5.4
254.09201	2.4
255.06546	5.2
255.10135	6.1
256.10739	1.0
257.08029	9.0
257.11923	1.1
265.08572	5.6
266.09360	5.3
267.06683	1.0
267.10083	5.3
268.07135	4.7
269.08038	11.4
270.08762	2.6
271.09503	1.3
277.08624	1.0
279.10291	1.3
280.07239	1.4
281.08057	6.1
281.11697	7.7
282.08752	0.9
282.12332	2.0
283.06058	4.1
283.09650	13.0
284.10229	2.9
285.07568	5.1
285.10889	1.7
287.12766	1.6
295.09634	1.5
297.07590	8.3
297.11096	1.3
298.08395	13.3
298.11819	1.9
299.09088	0.9
299.12689	2.9
300.09894	22.3
301.10266	1.4
309.11029	3.9
310.11865	1.5
311.09146	2.5
313.10651	100.0
313.14322	70.5
314.11017	8.1
314.14636	5.3
323.12698	0.9
325.10663	1.0
326.11343	7.3
327.12167	8.8
328.12714	0.9
331.15363	24.2
332.15656	1.9
341.13797	59.9
342.14124	4.2
359.14847	76.9
360.15176	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01873	0.8
61.02909	1.9
61.04018	0.6
67.05494	1.5
69.03414	2.6
69.07050	0.8
71.05018	0.7
73.02887	0.5
79.05473	2.5
81.03403	1.2
81.07048	3.2
83.04994	0.7
85.02895	9.5
91.05460	3.6
93.07033	7.0
95.04973	1.1
95.08578	1.7
97.02866	1.8
105.07008	6.8
107.08587	34.9
108.08897	1.1
109.02879	0.9
109.06505	1.7
109.10139	1.8
119.04922	1.0
119.08572	6.7
121.06479	1.0
121.10147	5.0
123.08073	0.9
123.11715	0.7
124.50467	0.6
127.03924	1.3
133.06517	0.6
133.10117	18.1
135.11732	0.8
137.05968	2.9
137.09576	0.8
139.07529	1.4
143.08594	0.8
145.04962	1.3
149.09590	3.3
151.07507	1.5
151.11166	9.5
151.13710	0.6
161.06055	0.6
161.09592	5.8
167.10664	13.0
179.10657	17.3
180.11082	0.7
183.43202	0.6
197.11713	100.0
198.12056	4.9
359.16797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03938	0.9
59.04969	1.6
67.05494	2.0
69.03403	3.2
70.58283	1.6
71.04981	1.3
79.05490	1.9
81.03419	1.4
81.07027	3.0
83.04960	1.8
85.02876	7.8
91.05461	5.0
93.07040	7.7
95.04945	1.4
95.08572	1.1
97.02885	1.9
97.06558	1.2
100.70417	1.0
103.05537	0.9
105.07018	6.0
107.08578	19.9
109.06507	2.4
109.10112	1.9
115.41596	1.0
119.04905	1.5
119.08574	3.1
121.06506	2.7
121.10046	1.3
127.03889	2.4
131.04945	1.3
133.10115	20.7
135.11674	19.8
137.05966	4.1
137.09612	2.4
140.10248	1.0
143.76247	1.0
145.04988	1.8
151.11143	1.5
152.06819	3.7
161.09576	9.5
162.06738	1.0
163.07449	1.9
179.10646	34.9
180.11008	1.5
197.11713	100.0
198.07307	2.2
198.12021	3.6
198.14931	2.8
224.37184	1.0
347.71890	1.3
359.16342	4.5
359.21851	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	18.4
57.03451	4.8
57.07069	100.0
57.73125	4.7
67.05498	32.6
69.07059	26.4
69.72459	7.4
69.72849	9.6
70.06583	5.3
71.08624	68.6
79.05444	4.6
81.07054	40.3
82.43757	4.3
83.08613	23.2
85.10165	39.6
88.07616	6.2
90.97353	4.2
93.07059	5.6
95.08583	55.8
97.10169	23.4
98.23010	14.2
109.10129	31.8
111.11731	9.6
123.11716	14.4
137.13248	7.5
162.40691	5.6
162.88380	4.3
167.39693	4.4
177.08849	5.3
267.26825	10.4
285.27805	7.6
329.06888	5.2
341.30457	55.6
359.37085	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	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23573	2.2
53.03935	3.4
57.03424	6.3
57.07715	2.4
61.02913	11.6
65.03951	2.5
69.03419	16.5
69.38067	8.4
71.04996	2.8
73.02898	4.0
81.03411	9.9
85.02896	100.0
85.03414	5.1
91.03938	6.1
93.03385	9.1
97.02881	27.0
99.04466	4.4
107.04969	2.7
109.02836	7.1
111.04431	20.3
118.80777	2.0
125.04961	2.3
127.03899	19.5
128.09151	2.0
128.80081	2.1
135.04411	32.1
139.03877	69.0
144.33128	2.3
145.04942	36.3
163.03893	16.3
163.05928	5.1
180.08624	8.3
181.04930	69.8
198.07556	4.1
239.30873	2.0
241.58177	2.0
248.08720	2.1
314.48071	2.0
361.10837	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	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	7.2
61.02904	10.7
65.03938	3.9
69.03419	20.7
70.56065	3.3
71.04983	3.6
73.02901	4.0
81.03405	11.6
85.02894	99.8
91.03921	4.6
91.05394	3.9
93.03398	11.7
97.02888	32.6
99.04426	4.2
107.04919	4.3
107.85242	2.4
109.02885	12.9
111.04430	23.1
127.03901	23.9
131.04907	2.9
135.04391	31.1
139.03886	62.1
145.04932	38.6
163.03862	16.3
163.06058	5.7
180.08653	10.0
181.04924	100.0
182.05307	2.9
198.07687	3.8
206.33595	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
55.05508	1.0
57.03431	2.8
61.02904	1.0
68.99794	1.8
69.03426	2.3
70.06590	4.0
70.15118	0.8
70.70695	1.6
72.08151	11.7
76.78742	0.7
79.05502	1.0
81.03416	1.3
81.07034	1.1
82.49322	0.8
83.01305	0.9
84.04504	2.8
85.02892	7.4
86.09703	10.0
87.04487	0.8
91.05484	2.6
93.07049	1.1
95.04983	2.4
95.08604	1.1
97.02913	1.6
98.23246	1.2
102.05543	2.5
103.05457	2.9
105.07024	1.8
107.04942	14.7
107.08549	1.6
109.06484	0.9
109.45027	0.8
117.07015	3.3
119.04935	2.8
121.06502	6.7
123.04418	18.5
123.05268	1.2
127.03954	1.2
131.04916	2.4
132.10214	2.5
135.04413	1.1
135.08032	5.9
136.07541	2.0
137.05991	2.5
141.02498	0.9
145.04907	1.4
145.06474	1.8
147.04388	7.0
148.05147	1.7
149.05931	5.9
151.03905	1.9
156.10173	0.9
161.05905	2.2
163.03903	1.3
163.07516	17.2
165.05432	4.0
173.05946	5.5
176.04614	0.8
179.07027	4.3
181.08568	36.2
182.08916	1.9
183.11324	2.5
185.16504	2.6
190.08621	11.2
191.07005	56.7
192.07329	2.2
201.12294	2.4
203.07010	2.3
208.09663	100.0
209.10011	4.8
213.15932	1.4
220.09575	1.7
325.10681	5.0
327.95956	1.0
342.13461	3.5
343.11771	2.9
360.14352	23.6
361.08978	1.1
361.14435	2.4
361.18515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71710	0.4
51.97810	0.4
56.96566	0.6
69.03448	0.6
69.07059	0.6
72.08144	0.8
74.00658	1.4
75.64096	0.5
79.05494	1.0
84.04477	0.7
84.08110	0.6
85.02918	1.3
86.09701	15.5
88.02205	1.6
88.03948	0.6
91.05477	1.4
97.02850	0.6
98.23183	2.4
100.02206	1.2
103.05464	4.9
105.07038	0.4
107.04970	0.5
107.96054	0.5
115.05415	1.2
116.98576	0.4
117.07011	3.6
119.08566	0.6
120.01168	0.6
120.90164	0.4
121.06480	0.9
123.08071	0.7
128.06203	4.1
129.06993	0.5
130.04961	1.1
131.04927	10.3
131.08559	0.8
133.06441	0.7
135.08080	0.7
137.05949	0.9
143.08562	6.8
145.06479	1.4
146.02672	1.5
147.04318	0.5
147.08009	1.7
151.07516	3.8
159.08075	0.5
160.05220	1.1
161.05981	3.8
161.09621	1.2
162.06744	3.7
163.07544	3.2
165.09177	0.8
171.08061	3.6
175.05946	0.8
175.07533	15.8
176.07925	0.7
177.09094	100.0
178.09431	4.1
183.03241	0.5
189.09138	2.5
192.02455	0.7
193.08679	0.5
195.10165	2.3
199.17992	2.5
201.12355	1.4
203.05237	0.8
203.10641	3.3
207.03133	0.6
207.04771	3.7
207.10184	2.1
208.09489	0.6
211.02579	0.5
219.10185	1.7
221.11713	12.5
222.11980	0.6
227.17560	1.0
235.07849	1.7
247.12874	0.7
253.08937	4.4
254.09296	0.6
255.01715	0.9
258.98965	0.6
276.99976	1.6
286.29874	0.5
296.13199	1.4
319.00833	0.5
338.08563	0.5
342.13641	7.2
343.12003	0.6
360.14044	3.7
361.14075	0.8
361.18314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.7
57.03448	4.9
57.79781	4.2
61.02932	6.6
69.03423	23.6
70.26244	9.0
73.02911	7.5
79.41874	3.8
81.03427	4.9
85.02900	100.0
91.04003	6.2
97.02901	22.4
98.23260	6.1
99.04391	4.6
101.00998	4.5
101.02386	7.0
108.50524	4.0
109.02863	7.0
119.01952	5.2
127.03915	54.5
138.98009	5.0
145.04939	46.4
146.05055	3.9
163.06003	18.5
171.43712	3.9
203.22855	4.5
327.96802	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	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.9
57.03413	5.9
61.02919	9.9
69.03421	30.2
69.36475	14.6
70.06588	7.5
72.08160	5.4
73.02917	11.2
81.03401	10.1
82.59123	4.5
84.04527	4.5
85.02894	100.0
86.09686	6.9
87.56461	4.9
89.15089	4.3
91.03947	8.9
97.02894	28.4
98.22809	11.2
99.04462	8.0
101.02334	5.2
109.02901	14.4
110.97584	5.5
119.01937	8.2
127.03889	45.6
135.55664	4.5
140.04753	4.5
145.03429	5.8
145.04947	53.8
158.09001	4.4
163.05997	36.3
163.07269	4.9
172.08261	6.3
187.05589	12.5
195.21590	4.5
205.06720	11.5
216.98730	21.1
234.99699	7.0
258.99725	11.8
270.99789	11.3
282.99496	5.5
319.08820	4.7
352.02463	4.7
360.06604	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	360.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77160	1.7
55.01862	3.8
55.90281	2.2
56.52192	2.6
56.66313	1.9
57.03434	3.2
59.57666	2.2
61.02920	2.4
63.06924	1.8
69.03402	4.5
69.35151	4.8
69.35561	7.4
70.06568	2.5
72.08146	7.4
81.03439	3.2
81.95935	1.8
85.02898	22.4
86.09708	13.5
91.05434	4.1
93.06998	3.7
95.04937	3.5
97.02888	3.0
98.22696	4.6
99.04411	3.2
103.05456	20.9
107.04947	45.6
117.06992	3.4
119.04863	3.2
121.06451	10.9
121.79826	2.3
123.04410	23.9
127.03903	3.0
131.04916	54.6
135.08020	7.5
137.05957	7.6
138.06367	2.7
145.04924	4.8
147.04393	11.8
148.05096	4.5
149.05966	9.8
151.03937	2.6
161.05901	2.7
163.07513	44.3
164.07816	2.4
165.05441	5.5
173.05931	4.6
176.07854	3.5
179.07004	4.2
180.08708	3.5
181.08578	100.0
181.75967	2.0
183.11206	3.2
183.85829	2.3
187.08403	5.1
190.08614	8.5
191.07002	50.9
191.08673	4.7
201.12410	3.2
208.09669	57.4
209.10017	3.6
246.07379	2.8
285.11993	5.9
300.12863	3.0
325.10715	5.0
343.11731	6.4
360.14108	28.1
361.13852	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	360.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55795	1.5
61.02893	2.2
69.03439	2.0
69.07076	1.7
71.64674	1.6
72.08131	3.2
79.13511	1.6
81.03414	4.1
84.04476	3.0
85.02879	5.5
86.09694	16.1
91.05447	2.9
103.04765	2.2
103.05453	41.2
116.84326	1.5
128.06183	2.2
130.04953	3.2
131.04916	100.0
132.05325	2.9
136.35599	1.8
137.05983	3.6
139.43483	1.8
143.08531	4.1
145.04909	1.8
147.07704	2.1
151.07553	4.8
161.05916	3.8
163.07524	39.1
163.22231	1.8
164.07802	1.8
170.21280	1.6
171.08075	2.0
175.07516	9.6
177.09096	57.1
178.09392	2.1
179.07002	2.4
199.18024	2.0
201.12276	2.3
203.10703	2.6
207.04813	1.9
221.08008	2.9
221.11688	6.4
225.04314	2.4
253.08946	2.8
255.01610	3.6
261.88467	1.6
276.99896	3.3
342.13568	5.9
360.13364	12.5
360.24875	2.1
361.18243	7.0
362.71448	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	54.3
62.52993	10.9
67.05489	96.8
69.07065	45.8
69.15968	20.3
69.16370	46.0
71.04984	92.1
72.27393	11.2
79.05489	98.3
81.07051	56.6
83.08605	13.4
87.08112	10.6
91.05474	20.5
93.07037	100.0
95.04922	12.1
95.08613	47.2
97.06529	23.0
97.10160	42.1
105.07040	39.1
107.08581	78.5
109.10136	65.7
111.80395	11.5
114.53157	14.3
119.08574	20.1
121.10139	75.6
125.09585	25.6
131.08557	12.6
133.10089	21.8
147.11705	11.6
149.09654	11.5
153.12733	33.1
155.10655	22.6
173.11687	99.3
189.11224	45.9
236.55437	13.0
275.20035	49.1
297.80347	12.3
324.03006	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	37.8
56.67480	7.7
59.95463	7.5
62.32759	7.7
67.05499	66.0
69.07059	34.1
71.04980	73.3
79.05489	58.9
81.07054	25.3
83.08611	14.8
91.05473	19.7
93.07035	72.2
93.20276	9.2
95.04983	8.4
95.08614	23.0
97.06560	12.6
97.10181	27.4
105.07061	17.3
105.11256	7.9
107.08600	31.8
109.10152	54.6
112.21971	7.6
119.08615	14.3
121.10115	52.4
125.09620	21.7
153.12732	43.5
155.10686	25.6
161.13354	10.3
173.11705	100.0
189.11223	19.8
275.20084	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	361.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78385	1.0
56.96569	1.6
64.61612	0.8
70.04745	1.4
70.05080	1.5
76.36424	0.9
77.11958	0.9
79.05034	1.0
82.07660	1.0
94.93005	3.4
98.22813	1.7
98.97574	6.4
110.97575	4.3
112.89597	100.0
114.89331	59.2
116.89156	2.1
116.98618	1.5
128.98601	3.9
134.99651	1.1
136.94000	1.1
138.95560	1.2
146.99696	2.1
154.94173	2.3
156.96556	2.8
174.97652	7.5
180.96593	2.0
192.98749	4.1
194.93076	2.3
198.97635	12.1
210.97659	2.7
212.85080	6.6
216.98685	60.9
217.98866	2.8
218.88805	0.9
219.00211	1.1
224.99223	1.1
228.98688	10.5
231.00221	1.5
234.99741	23.0
240.94121	1.7
240.98650	10.8
243.00221	7.3
246.99750	2.9
252.98749	5.8
258.99753	38.1
259.99966	2.7
261.01294	1.2
262.92117	2.4
270.99731	32.6
271.99969	2.4
272.06430	1.8
277.00763	7.1
282.99704	2.4
289.00739	13.7
300.95206	1.1
301.00787	7.9
319.01736	8.7
334.91974	1.7
337.02826	6.2
355.03860	2.6
361.02969	2.1
361.08411	3.9
379.03894	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	361.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60480	2.7
54.45892	2.8
55.05522	3.4
56.96561	15.6
59.72209	3.1
67.05499	4.9
67.64218	2.7
69.03424	6.9
69.88078	10.9
70.06618	7.5
71.04982	15.4
81.03382	4.6
84.96017	7.2
85.02908	6.2
91.05499	5.7
93.07047	5.0
95.04927	3.6
97.06519	4.4
98.23381	5.8
98.97572	56.7
107.08650	3.4
109.02901	5.0
110.52995	3.1
110.97580	13.9
111.04442	3.9
116.98637	21.3
128.98607	15.6
129.05479	4.7
130.05032	4.1
130.08627	4.6
131.08542	4.2
134.99680	6.5
135.08022	5.7
137.05980	11.7
139.03926	5.0
140.98567	5.3
143.00117	5.1
144.98126	4.4
146.99692	4.7
152.98616	11.1
158.99657	12.1
161.01248	8.3
163.03857	4.2
163.07487	8.6
164.04297	4.4
167.03334	4.3
170.99661	6.8
177.00732	10.0
181.04842	3.6
188.07079	6.5
219.01775	15.6
237.02716	23.9
275.07947	15.6
291.12628	4.1
293.09048	100.0
294.09399	5.2
311.10083	15.9
315.18564	3.3
335.10074	12.4
361.09201	16.2
361.14282	12.0
361.18457	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26720	0.8
56.96564	2.8
59.13545	0.8
60.05639	1.5
62.82718	0.8
68.98305	0.9
70.06573	1.4
76.35781	0.8
84.04504	1.0
84.08131	7.4
86.09708	1.0
94.99842	1.0
95.50082	0.7
98.97565	4.9
99.04431	1.0
101.00885	10.9
105.00358	1.5
110.49614	0.9
110.97591	1.0
113.00867	6.2
115.02456	2.0
116.98611	3.0
119.01915	16.5
119.07371	0.9
127.02434	2.8
128.98582	1.2
129.10262	4.2
131.01907	15.7
133.03439	4.8
137.02953	1.6
143.01901	13.5
145.03447	18.0
146.03485	1.2
147.01414	1.3
149.02956	1.8
155.01891	22.1
155.03177	1.1
156.02754	4.8
157.03482	7.2
158.03764	0.9
161.02953	17.1
162.02925	1.1
163.04472	6.0
169.03418	4.3
171.05023	0.9
173.02954	39.5
174.03067	1.2
174.97673	2.9
175.04507	9.2
181.03430	7.0
183.05038	3.0
185.02928	4.3
187.04523	27.9
188.04694	1.6
191.04005	2.7
192.04205	1.0
198.97620	4.5
199.04510	53.7
200.04710	3.2
201.06090	9.4
203.04018	15.2
204.04259	1.1
205.05647	2.0
210.06023	1.1
210.97701	0.8
211.04553	7.4
213.06068	5.5
215.04109	1.3
216.96674	1.3
216.98682	15.3
217.05571	8.6
221.05057	37.9
222.05286	1.2
223.04529	8.6
225.06017	0.9
228.98701	2.0
229.05545	9.4
231.07442	1.3
234.99728	7.4
235.04446	1.6
240.98756	2.7
241.05563	27.9
242.05965	1.3
243.00331	1.1
245.04756	1.1
249.02435	2.9
252.98730	1.4
253.05667	5.3
258.99750	10.9
260.00018	1.2
267.03519	4.6
270.99872	7.5
271.06604	45.3
271.99896	1.5
272.06699	3.2
277.00815	3.4
283.06607	3.3
289.00809	3.6
289.07663	100.0
290.07953	7.6
301.00623	1.6
301.07681	30.7
302.07837	2.7
315.13098	1.2
319.02167	3.0
319.08716	80.3
320.08960	6.1
337.02859	1.6
338.06290	1.0
354.94498	1.0
361.09875	4.5
361.13672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1123
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03954	2.0
55.01875	1.3
55.05509	2.4
59.89875	1.3
69.03425	16.5
70.05728	3.1
72.08143	4.4
81.03410	7.9
84.04501	38.1
85.02881	8.5
85.10797	1.3
86.09682	1.6
87.83529	1.4
95.04966	8.3
96.04516	2.1
97.02927	1.8
98.03230	1.7
98.09678	1.5
99.04453	11.4
102.05550	1.5
105.04510	2.1
110.09663	4.2
114.05516	18.3
116.07107	1.6
123.04409	7.3
125.02362	4.0
130.04999	45.9
135.25937	1.4
138.09126	10.3
140.04680	37.6
142.04980	24.6
152.34743	1.5
155.06981	15.1
155.11821	6.2
156.10191	2.0
179.15910	1.6
181.05034	3.5
181.13455	2.2
182.05318	3.5
184.09677	50.3
185.04189	2.4
199.05946	28.2
199.09421	6.6
201.12326	100.0
221.05103	3.0
227.13867	1.7
241.03888	1.6
245.14966	10.9
275.10992	4.3
277.00235	1.9
299.16077	2.6
317.12054	26.4
342.35782	1.5
343.13544	3.5
343.18567	2.5
361.10962	60.6
361.14722	52.6
362.11337	3.7
362.15332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1129
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
56.96565	11.0
68.05009	4.5
69.03429	18.3
81.03413	10.8
84.04488	25.7
84.08147	7.1
84.96035	8.1
85.02892	8.7
86.09641	7.0
87.56256	4.3
93.07056	9.2
95.04981	8.5
95.99205	4.3
99.04469	7.9
100.49492	5.0
110.09712	4.7
114.05526	19.5
121.06517	9.4
127.03924	7.8
130.04997	35.6
137.05974	21.0
139.07555	6.3
140.04701	17.0
142.04990	16.1
151.03862	5.6
151.07509	5.8
155.07076	6.6
163.07576	6.5
167.07045	39.5
177.09148	14.2
178.09462	17.1
179.63338	4.4
183.03302	5.5
184.09718	27.9
199.09584	11.1
201.12311	65.9
207.03389	9.5
225.04427	9.5
245.14957	14.2
255.01860	11.3
273.02863	6.9
276.99863	40.6
295.01163	9.0
297.03073	5.5
299.14856	7.7
315.03964	13.5
319.00998	9.7
337.01959	8.1
343.12823	6.0
361.14105	69.6
361.18381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1489
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.03943	2.7
56.96558	6.2
69.03416	7.4
69.34992	14.3
71.67781	2.4
79.05465	6.3
81.03411	7.2
84.04498	12.3
85.02886	9.2
86.09685	4.2
91.05463	6.3
93.07028	10.9
95.04943	2.7
99.04455	4.6
102.60846	2.4
114.05503	6.8
121.06478	13.6
123.08023	6.5
129.01833	3.6
130.04977	14.8
131.04834	3.0
132.05260	3.1
137.05952	14.3
138.09140	3.1
139.07544	9.4
142.04967	6.8
149.05890	4.4
163.07564	3.4
167.07010	71.9
175.07520	3.2
177.09076	11.7
178.09422	16.9
184.09644	14.2
191.60098	2.8
199.09598	19.6
201.04245	3.4
201.12277	29.6
207.03300	4.7
221.11632	2.8
225.04343	3.0
236.81087	2.5
245.15080	3.1
255.01746	9.5
258.98837	3.1
273.02557	2.8
276.99951	24.6
295.01144	5.3
299.14615	5.7
317.02997	3.4
319.01019	7.0
337.01999	6.5
361.10529	5.4
361.14319	29.4
361.18268	100.0
362.18668	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01875	1.9
58.79676	1.6
61.28864	1.7
67.05480	2.1
74.05492	1.7
77.03922	2.0
78.04708	2.3
79.05479	14.6
83.05000	2.0
89.47022	1.4
91.05476	25.5
93.07041	11.1
95.04937	11.4
98.22712	1.6
103.05457	11.5
105.04512	1.8
105.07048	13.3
106.04249	2.4
107.04946	30.8
109.06523	2.6
111.04441	3.1
113.01949	1.6
115.05434	4.4
117.07014	7.1
119.04929	6.8
119.08533	2.0
120.05663	2.2
121.02888	2.0
121.06502	24.1
122.03688	1.9
123.04422	6.9
124.05203	4.5
125.05998	3.5
127.86030	1.8
128.06181	10.0
129.06999	27.3
130.69469	1.7
131.04907	8.8
131.08511	15.3
133.02834	1.8
133.06487	4.9
134.03697	1.7
135.04410	4.8
135.08049	7.1
137.05966	16.7
138.06718	2.1
143.08545	2.7
144.05739	1.6
145.06490	7.9
146.07358	2.2
147.04459	4.8
147.08011	2.4
148.05191	4.0
149.05963	7.2
150.06689	2.0
151.03894	5.3
151.07536	18.4
152.04674	3.5
152.06223	2.8
153.05484	18.3
153.06757	2.9
154.07742	2.1
155.07115	2.1
155.08492	2.7
157.06483	23.9
159.08092	2.6
161.05975	39.7
161.09599	11.0
163.07529	21.4
165.05673	2.1
165.06958	8.0
165.09071	11.4
166.06210	9.1
166.07623	2.1
167.07040	75.6
167.08488	5.6
168.07268	2.2
169.10023	1.7
171.08070	2.1
173.05946	2.4
174.06711	12.0
175.07538	10.0
176.08383	2.0
177.06918	2.4
177.09041	10.6
178.07750	3.2
179.06985	4.6
179.08566	6.3
181.06535	4.3
181.08578	100.0
182.07268	9.5
182.08873	3.3
183.08119	2.9
189.09087	82.4
190.07814	2.5
190.09511	3.3
191.08525	3.1
191.10564	3.0
193.06580	2.9
193.08585	3.8
194.07195	5.3
195.08063	10.9
196.08806	2.0
197.05957	3.6
197.09624	9.7
203.10680	2.9
205.06526	2.9
207.08234	3.4
207.10194	14.8
208.08966	2.8
209.06055	2.3
210.06752	5.0
211.07532	5.3
212.08241	3.5
218.07211	2.3
219.08057	6.2
219.10051	2.0
221.05954	5.4
222.06651	2.0
223.07518	8.1
223.11195	5.2
224.08318	1.9
225.05600	4.0
225.09135	17.3
226.09746	2.2
227.07062	7.7
229.12320	3.9
235.07553	2.8
236.08281	4.5
237.05473	2.4
237.09149	3.6
239.06960	3.8
239.10651	3.8
240.07843	3.6
241.08661	3.3
245.07674	1.7
247.07539	4.0
249.05334	1.9
251.07170	5.7
251.10706	8.5
253.08611	17.7
254.09454	3.9
255.06435	2.6
255.10220	4.6
257.11655	18.4
258.12103	3.2
267.10181	4.8
269.08176	2.8
270.08813	4.5
271.09946	1.9
271.13327	1.8
279.10156	6.8
282.08884	2.2
283.09891	12.1
283.12839	10.3
285.08163	2.0
285.11197	33.8
286.11606	3.0
296.10452	1.8
299.09479	2.1
299.12799	5.1
302.11447	5.7
311.12796	7.2
315.12283	18.3
317.13873	17.0
318.13885	2.2
329.13843	2.3
331.15488	3.1
343.15411	7.0
361.16641	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	361.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42615	1.8
53.03943	2.8
70.99272	1.8
71.56242	2.2
76.33688	1.8
77.03934	1.9
79.05489	15.2
87.57481	2.3
91.05468	25.9
93.07027	14.8
95.04951	12.9
103.05461	11.9
103.82349	2.2
105.04481	2.3
105.07031	14.9
107.04934	32.3
109.06500	2.6
111.04432	3.4
115.05462	4.0
117.06972	6.2
118.04173	2.2
119.04946	6.6
119.08595	2.4
120.05717	3.6
121.06495	21.8
123.04420	8.0
124.05197	4.8
125.05991	3.3
128.06224	8.6
129.06996	26.3
131.04948	12.1
131.08542	10.4
133.02856	2.4
133.06488	7.6
134.03577	2.1
135.04370	3.5
135.08022	7.0
137.05968	20.1
138.06757	2.4
145.06477	8.3
147.04398	7.8
148.05211	3.3
149.05969	9.4
150.06830	2.1
151.03935	3.3
151.07529	16.3
152.04628	2.7
152.06252	3.4
153.05479	12.6
153.06668	2.0
157.06462	16.6
161.05965	28.8
161.09589	12.5
162.06569	2.7
163.07523	20.3
165.05626	2.9
165.06949	11.0
165.09042	9.5
166.06274	12.3
166.07553	2.9
167.07048	67.4
167.08548	8.3
168.07474	2.9
174.06761	13.6
175.07545	7.9
177.09059	13.3
178.07655	2.8
179.07109	4.7
179.08577	6.6
181.05080	2.8
181.06575	6.5
181.08582	100.0
182.07225	7.0
182.08777	2.4
183.08083	2.6
189.09088	75.8
190.07837	3.7
190.09491	3.3
191.08597	4.9
191.10733	4.2
193.06522	3.9
194.07329	4.6
195.08037	9.8
197.05937	4.1
197.09584	10.9
203.10643	2.4
205.06641	3.0
207.08197	3.8
207.10149	10.4
208.08708	3.3
209.06068	2.9
209.09645	3.2
210.06799	6.2
211.07550	8.1
211.11041	2.2
213.09172	2.2
219.08104	3.9
221.05974	5.7
222.06731	3.9
223.07553	8.6
223.11156	3.6
224.08255	5.0
225.05612	2.4
225.09053	14.0
227.07100	6.2
229.12184	4.2
233.09688	3.1
235.07477	3.4
236.08282	3.0
237.09198	2.6
239.07053	4.4
239.10606	3.0
240.07767	3.0
242.09169	3.9
247.07401	3.2
251.06992	4.2
251.10614	6.8
253.08644	15.1
255.06448	3.9
255.10109	6.4
257.11615	17.9
267.09995	4.8
268.07455	3.9
269.08035	3.0
270.08762	4.8
271.13202	3.5
271.91238	2.3
279.10016	3.6
283.09607	10.7
283.13278	10.6
285.11209	36.9
296.10281	2.4
297.11154	5.2
299.12750	4.5
302.11520	5.9
311.12735	6.7
315.12137	19.5
317.13824	17.4
329.13882	3.4
331.15576	2.9
343.15369	10.8
361.16440	8.1
362.19513	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	361.1643
Annotation	CHEMBL514546
Peak:m/z	Relative Intensity
50.49772	4.6
52.09583	4.3
52.92213	4.3
53.31496	4.3
65.03921	5.1
69.03445	5.4
71.43402	6.4
76.54499	5.0
79.05471	14.4
91.05492	29.1
95.04965	5.3
97.02818	5.3
100.07038	5.3
103.05467	13.8
105.07023	10.9
107.04920	23.3
115.05451	7.5
119.04924	9.7
121.06487	17.4
121.10123	5.1
128.06200	10.1
129.06973	17.7
131.04970	7.4
131.08578	7.8
133.06531	5.1
135.07985	6.6
137.05957	100.0
145.06474	8.7
147.04381	11.1
149.05962	17.9
151.07526	80.2
157.06502	10.3
161.05951	89.1
161.09598	17.8
163.07513	27.7
165.05684	5.5
165.06946	8.7
167.07057	12.3
167.08459	6.9
174.06755	5.6
175.07536	14.0
177.09061	10.0
180.07878	5.9
181.08578	26.9
181.12125	5.9
182.09462	6.6
189.09071	77.2
193.10181	6.1
195.08044	17.6
195.33961	5.3
207.10141	54.7
225.09100	5.1
227.10573	5.5
253.08488	8.7
253.12033	6.6
255.10184	18.4
265.08502	6.1
273.12332	6.0
284.68402	5.1
285.11163	12.8
287.12869	38.6
287.64539	5.5
299.12573	8.8
301.23773	5.9
308.92297	5.1
313.14249	10.0
317.13559	6.3
343.15646	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12582	5.4
69.40221	22.3
79.05461	8.5
89.85355	5.8
91.05480	21.8
91.25452	6.1
95.04996	6.4
98.23493	11.0
105.07027	6.7
107.04948	13.6
113.86533	5.7
119.04931	19.3
122.03631	8.1
122.78680	5.8
126.90120	5.2
129.06998	14.0
131.04932	9.0
133.02817	9.0
133.06578	6.3
137.05963	100.0
138.06349	6.0
147.04393	9.2
149.05972	17.0
151.07530	59.5
157.06482	7.3
161.05975	80.0
161.09579	18.1
162.06621	5.4
163.07526	27.1
165.07051	8.9
175.07695	7.1
181.08600	8.4
184.77274	6.4
189.09070	54.5
193.06601	5.9
195.08078	14.3
202.96814	5.5
207.10185	42.1
227.10667	17.7
253.08543	9.1
253.12245	8.9
255.10170	18.3
285.11182	8.7
287.12900	40.5
313.14236	14.3
331.15588	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
58.36694	1.2
65.03947	1.8
65.36400	1.5
69.37348	3.6
69.37751	4.5
77.03897	3.6
78.04700	2.0
79.05484	17.0
81.07041	2.7
82.93376	1.5
83.04979	2.7
91.05470	28.2
92.48598	1.7
93.07037	14.1
93.79893	1.4
94.04190	3.1
94.18615	1.5
95.04966	12.3
95.05946	1.8
95.08569	2.4
97.26585	1.5
103.05471	17.7
105.04466	3.4
105.07021	15.7
106.04192	1.6
107.04945	36.2
107.08595	2.9
109.06488	3.7
111.04411	2.3
115.05448	5.7
117.07011	6.1
118.04153	1.9
119.04971	7.3
119.08549	2.1
120.05708	2.2
121.06487	21.0
122.03635	3.0
123.04420	9.4
124.05199	6.1
125.06006	3.6
128.06195	13.2
129.06998	27.1
131.04941	10.7
131.08557	14.2
133.02846	4.4
133.06499	6.2
133.10152	1.6
134.03661	1.8
135.04396	3.1
135.08046	6.4
136.05161	3.2
137.05969	19.9
138.03154	1.9
138.06781	1.5
141.06960	3.6
143.04918	2.0
143.08516	2.0
145.06493	7.2
146.03658	3.0
146.07283	5.4
147.04379	4.5
147.08040	1.9
148.05200	4.2
149.05991	10.2
149.09673	1.6
151.03879	6.0
151.07526	21.2
152.04695	4.6
152.06181	3.6
153.05446	14.1
153.06610	2.1
154.07716	2.2
155.05986	1.9
157.06491	20.0
158.07141	1.7
159.07979	2.7
161.05965	45.1
161.09590	11.2
162.06490	2.8
163.07533	20.9
165.05576	2.4
165.06927	12.3
165.09056	10.1
166.06250	12.4
166.07590	2.9
167.07042	74.2
167.08513	7.8
168.07393	3.7
169.06381	2.6
171.08112	2.4
174.06763	11.7
175.07547	7.5
177.05441	2.0
177.06897	2.2
177.09103	13.2
178.07727	3.8
179.07034	3.0
179.08484	4.8
179.10748	2.8
181.06625	5.2
181.08580	100.0
182.07240	7.4
182.08926	5.3
183.08018	3.4
189.09096	86.3
190.07761	2.6
190.09476	3.5
191.06943	3.3
191.08533	3.9
191.10646	2.8
193.06453	5.1
193.08498	2.1
194.07301	6.5
195.08031	13.8
195.11737	1.8
196.08710	2.6
197.06053	3.6
197.09601	11.0
198.06833	1.8
199.07439	3.7
203.08528	2.0
207.08054	6.0
207.10156	14.3
208.05193	1.9
208.08827	5.1
209.05922	3.7
209.09648	3.0
210.06694	7.8
211.07591	9.0
212.08337	2.7
213.09004	1.9
219.08054	6.0
220.08762	2.0
221.05945	5.8
221.09541	2.1
221.11588	2.1
222.06737	4.2
223.07480	6.9
223.11160	4.0
224.08269	3.6
225.05589	2.9
225.09052	19.5
226.09720	2.0
227.06958	7.4
229.12259	2.6
233.09505	2.5
235.07542	3.2
236.08339	6.6
237.05328	2.1
237.08987	5.0
238.06229	3.6
239.06990	6.3
239.10609	4.7
240.07841	8.8
241.08673	5.6
242.09357	3.3
243.10051	2.5
247.07478	3.2
251.07018	6.5
251.10622	7.1
253.08612	18.7
254.09387	3.5
255.06456	3.3
255.10100	6.1
256.07126	1.6
257.08124	2.3
257.11716	14.8
263.06848	2.1
265.08554	1.9
267.06601	2.5
267.10092	4.5
268.07190	3.2
268.10910	1.8
269.08002	2.9
269.11356	1.6
270.08908	6.8
271.09589	2.1
271.13260	2.8
279.10117	7.2
281.08023	2.8
282.08893	1.8
283.09662	11.4
283.13290	9.7
284.09814	2.1
285.07693	5.6
285.11200	31.0
286.11630	2.7
296.10379	3.2
297.11285	4.0
299.09357	3.3
299.12863	4.7
302.11386	5.1
311.12714	7.6
313.10623	1.8
315.12247	19.5
317.13837	22.4
329.13840	3.5
331.15558	3.4
343.15329	9.8
361.16364	11.7
361.28842	2.0
382.83258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18895	2.2
55.01841	1.9
57.03429	3.7
61.02913	6.1
67.86000	1.9
69.03416	10.8
69.39347	11.2
71.04961	1.9
75.77213	2.0
79.80225	2.1
81.03416	5.9
85.02892	45.6
91.03952	2.7
96.00721	2.0
97.02892	12.3
98.23520	2.1
105.07010	16.5
107.48183	2.0
109.02859	4.1
123.04411	41.2
126.09161	3.0
127.03906	7.4
130.04997	14.4
131.05389	4.6
133.06464	41.0
133.07388	3.6
134.09634	2.8
137.05962	100.0
138.06384	2.3
140.07069	2.8
145.04942	9.3
165.05457	34.2
165.09109	32.9
168.06509	4.6
183.06586	4.0
183.10138	37.3
183.11621	2.3
184.10330	1.9
194.77403	2.0
200.09129	2.5
200.12781	5.1
204.16946	2.0
252.24361	2.4
262.78329	2.0
362.18613	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.6
63.33996	3.2
63.52498	3.8
69.03416	8.5
70.81165	7.3
81.03402	4.5
85.02914	27.2
97.02890	10.0
105.07026	19.4
116.85139	3.8
123.04417	12.5
128.78427	3.4
130.05009	5.8
133.06493	45.9
137.05959	100.0
138.06351	3.4
139.03874	7.5
139.23691	3.2
142.47189	4.1
145.04976	8.8
165.05475	8.5
165.09108	31.9
168.06683	6.0
177.05550	4.2
183.10135	30.9
241.28027	3.8
246.35550	3.8
287.91971	3.8
345.02499	6.1
364.30637	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	362.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45877	0.9
69.83721	1.2
69.84071	2.5
73.66042	0.9
91.05465	2.7
93.07038	1.6
103.05458	7.1
115.05404	1.0
117.07011	3.2
119.04908	1.2
121.06496	2.5
122.03600	2.7
123.08001	1.5
129.07016	1.1
130.07423	0.9
131.04915	16.7
135.07974	1.2
135.18512	0.8
137.05963	39.4
138.06281	1.1
143.08556	0.9
145.06480	1.2
149.09608	1.4
151.07503	9.1
157.86435	1.0
163.07532	45.8
164.07936	1.8
171.08110	1.2
175.07530	2.9
177.09093	100.0
178.09419	3.5
195.10130	7.3
221.11719	17.6
299.12683	1.8
348.81000	1.0
363.12384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39669	0.3
51.57473	0.4
56.82599	0.4
56.96561	6.4
70.04227	0.8
75.48460	0.4
80.96177	0.4
97.32327	0.5
98.97569	100.0
99.97900	0.9
110.97550	1.7
111.87194	0.4
116.98605	36.8
119.01967	0.5
128.98604	1.2
134.99637	7.3
140.00160	0.5
143.00146	0.5
153.00722	0.5
158.99631	51.8
160.00008	1.0
170.99677	0.4
175.02742	0.4
177.00684	49.9
178.01128	0.5
183.03337	0.5
189.00642	0.8
195.01707	2.6
200.02184	0.7
201.04306	1.8
219.01740	37.3
224.44205	0.4
225.04256	0.6
237.02766	2.9
243.01619	0.6
243.05357	4.7
292.91226	0.4
295.06909	0.5
303.01804	0.5
303.07422	6.5
311.68024	0.4
321.08487	11.0
351.12561	0.4
363.09192	7.5
363.16336	0.9
387.67203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87553	21.6
57.05425	23.6
67.05499	32.1
71.41670	20.6
79.05513	26.6
81.07061	44.8
83.05067	21.6
91.05466	35.2
93.07027	29.7
95.08604	28.4
107.08589	28.0
126.61414	20.4
151.05827	23.1
233.15747	26.6
247.71344	22.2
363.25049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	Poststerone
Peak:m/z	Relative Intensity
51.74879	1.5
53.03935	1.7
55.01862	2.3
55.05499	5.0
57.03424	2.9
61.02912	1.6
63.95388	1.4
65.03931	2.4
65.10409	1.5
67.05495	9.6
68.19365	1.6
69.03416	3.1
69.07049	4.9
70.41377	2.8
71.04974	2.7
72.16367	1.7
79.05482	11.9
81.03423	2.5
81.07046	14.1
83.04967	5.9
83.08601	2.1
91.05466	17.6
93.06458	2.7
93.07037	23.4
93.76037	1.5
95.04963	18.3
95.08605	11.8
97.06506	5.9
99.04425	7.6
101.21633	1.6
103.05396	1.8
105.07019	22.7
107.04940	4.9
107.08572	16.0
109.06509	7.3
109.10126	7.9
111.08076	3.1
111.36253	1.9
115.05445	1.9
116.06161	1.7
117.06961	7.7
119.08557	22.9
121.06477	11.5
121.10134	13.2
123.04417	6.9
123.08060	9.4
123.11669	2.8
125.09622	6.0
127.07504	2.3
128.06224	5.1
129.06985	8.5
131.04900	2.3
131.08556	19.3
133.06467	4.5
133.10092	13.0
135.04410	6.8
135.08047	18.0
135.11682	6.2
137.05948	6.9
137.09630	5.4
139.07520	2.5
141.06969	2.8
142.07721	4.7
143.08534	18.8
145.06473	14.5
145.10104	14.7
147.08051	9.1
147.11673	6.4
149.09595	10.9
151.07507	3.8
151.11223	2.1
153.09064	2.4
155.08531	8.4
156.09286	3.1
157.06444	2.0
157.10100	14.8
159.07994	8.5
159.11633	13.3
161.05983	3.5
161.09596	17.5
161.13240	3.8
163.07520	9.1
163.11096	1.7
165.06908	1.9
167.08575	5.4
168.09256	2.4
169.10110	10.3
171.08012	14.1
171.11646	9.1
173.09621	9.8
173.13226	10.2
175.07559	2.4
175.11177	7.4
175.14894	1.6
177.09116	2.6
179.08543	4.8
181.10121	6.7
183.11697	10.1
185.09572	11.3
185.13245	5.2
187.07486	2.3
187.11194	6.4
187.14767	2.2
189.09055	13.6
189.12776	5.0
193.10152	5.7
195.11705	6.2
197.09593	6.6
197.13197	4.8
199.11166	9.0
199.14764	3.1
201.09048	2.6
201.12747	5.5
203.10612	14.8
203.14355	8.5
207.11714	5.5
209.13277	8.2
210.13985	2.2
211.11180	6.3
211.14827	7.1
212.11766	3.6
213.12709	6.3
215.10693	4.2
215.14056	2.2
217.12242	2.1
217.15796	4.3
219.11775	2.7
220.12564	1.9
223.11131	2.9
223.14775	6.6
225.12791	7.0
225.16306	6.7
227.14297	12.1
229.12196	3.1
229.15845	5.8
233.13167	2.1
234.13948	1.8
235.14815	2.7
237.12744	2.6
237.16342	1.9
239.10716	2.7
239.14388	1.8
239.17894	5.3
241.15915	4.7
243.13765	2.7
243.17499	2.0
245.15356	37.8
246.15561	2.3
249.16296	8.6
251.14336	9.7
252.14848	2.0
253.12204	3.2
257.15363	3.9
257.19104	1.7
263.17990	4.6
265.16049	2.5
267.17307	17.6
269.15350	17.7
276.15268	2.4
281.18945	14.8
283.16882	2.1
285.18430	29.9
287.16351	5.3
291.17422	12.0
299.20023	5.0
302.38019	1.9
309.18454	57.0
310.18878	4.8
327.19485	100.0
328.19928	8.9
345.20612	22.3
363.21631	77.1
363.26343	3.2
364.21927	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	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.4
57.07061	3.9
58.88795	2.5
67.05490	6.4
69.07064	10.2
70.55897	3.8
79.05476	6.3
81.07038	10.5
83.08623	4.6
89.06011	4.5
90.08649	2.6
93.07016	7.4
95.08588	7.8
95.98855	2.3
97.06525	3.9
97.10155	3.5
105.07022	4.5
107.08575	6.5
109.06493	6.4
109.10130	6.3
111.08029	4.1
116.75174	2.8
119.08580	6.8
121.10120	6.6
123.08057	75.4
123.11687	3.6
133.10085	5.0
135.08018	3.4
137.09599	6.6
147.11694	2.7
170.83342	3.0
179.14282	10.8
193.63179	2.6
298.73169	2.6
307.22659	10.5
331.26254	6.3
363.28876	100.0
364.29123	7.5
383.44186	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	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91914	0.5
53.03933	0.8
55.05510	4.5
55.48928	0.6
57.07081	4.1
59.45177	0.6
67.05502	6.7
69.03439	0.7
69.06718	0.5
69.07066	7.0
71.05006	0.8
71.08620	3.3
75.26623	0.5
79.05474	3.8
81.07051	9.2
83.08621	2.7
85.06535	2.4
91.05479	2.0
93.07027	4.3
93.15867	0.5
95.04972	1.0
95.08038	0.7
95.08607	8.5
95.10650	0.6
97.06527	2.0
97.10157	0.6
99.08086	3.4
105.07029	3.2
107.08594	4.5
109.05754	0.7
109.06506	14.8
109.10124	3.8
111.08064	1.1
119.08582	2.8
121.10130	2.8
122.07251	1.2
123.08059	40.4
123.11680	2.0
124.08401	0.7
131.08528	0.6
133.10109	3.0
135.08072	3.7
135.11694	0.9
137.09604	2.1
137.13258	0.6
145.10020	0.7
147.11684	1.5
149.09563	0.9
149.13234	1.5
151.14717	0.6
159.11705	1.2
161.13237	0.9
165.12755	0.9
167.14354	1.9
173.13182	0.6
179.14294	69.1
180.14626	2.7
187.14870	0.5
189.16235	0.8
193.15858	2.3
274.23715	0.6
275.20273	0.7
289.25070	1.1
303.26624	0.6
307.22525	3.6
328.64929	0.6
331.26331	6.3
341.15500	0.5
345.28046	0.9
363.28897	100.0
364.29297	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	363.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52267	0.8
55.05506	2.8
57.07071	90.4
58.07399	1.1
59.20436	0.9
62.42491	0.8
67.05479	1.1
69.07063	6.1
71.08625	69.6
71.42269	1.1
72.08967	1.2
73.06551	2.5
79.05478	1.1
81.07057	1.8
83.08621	1.3
85.10173	43.2
87.04457	1.2
89.06023	100.0
90.06362	1.3
90.19720	0.9
91.05478	1.1
93.07005	1.0
95.08582	1.3
97.10146	3.3
99.11724	7.3
100.75798	0.7
105.07023	0.9
107.07064	8.1
107.08611	1.2
109.10191	0.9
111.11696	2.9
113.13295	3.6
115.48693	0.8
119.08588	0.8
130.08682	1.6
133.08591	37.9
151.09650	6.7
177.11230	7.9
185.38524	0.9
195.12267	39.6
196.12462	1.1
345.24283	1.0
363.25146	1.4
363.31061	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	364.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.6
55.01873	3.8
57.03432	1.7
57.77601	0.8
61.02922	1.9
65.03941	0.9
68.99792	0.9
69.03427	8.4
69.36229	4.5
71.04986	1.5
72.04498	1.5
73.02904	1.9
81.03409	100.0
81.07041	1.0
82.03753	0.9
83.04981	1.0
85.02896	25.3
87.00813	11.3
90.05544	1.0
91.03968	1.0
91.05457	2.2
95.04951	16.2
97.02882	11.0
98.06026	1.7
99.04448	3.4
103.03934	2.6
105.01855	12.4
105.07006	1.1
107.04936	1.5
108.04438	1.8
109.02865	8.3
111.04464	1.2
115.03983	1.3
116.03496	1.1
119.04919	1.9
121.02850	2.7
123.04420	31.5
126.05527	1.2
127.03915	13.8
129.01904	1.1
133.06470	2.1
135.04349	2.0
145.04939	7.1
147.02852	0.9
147.04399	3.4
159.02882	4.0
161.05952	6.4
165.05484	1.0
171.02956	1.3
171.04361	1.3
177.05504	1.2
179.07137	1.0
189.03915	3.2
189.05482	7.1
202.10728	2.6
207.06503	2.8
220.11763	2.2
231.05002	3.0
293.06732	1.2
311.07571	3.4
364.16446	4.8
383.85248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
53.40115	0.6
55.01876	3.6
55.05499	1.3
55.96065	0.5
56.96546	0.6
57.03433	2.3
59.05021	0.6
61.02907	1.7
67.05501	2.5
69.03421	8.1
70.06573	0.6
71.04975	1.5
72.04494	1.5
73.02904	2.1
73.62592	0.5
79.05508	0.8
81.03410	100.0
82.03738	1.6
83.04981	1.2
85.02895	23.1
85.06530	1.1
87.00816	8.9
87.04453	0.7
90.05556	3.0
91.05476	1.5
93.07018	0.8
95.04964	12.7
97.02884	8.8
97.06516	0.9
97.94579	0.6
98.02439	1.4
98.06062	1.0
99.04447	3.4
99.08092	0.6
103.03929	1.8
103.07613	0.8
104.10740	1.9
105.01855	9.2
105.07034	1.4
107.04942	1.1
107.08597	1.2
108.04510	1.3
109.02872	7.1
109.06508	1.1
115.03941	1.0
115.07503	0.7
116.03438	0.9
117.01817	0.6
119.04942	1.5
121.02866	2.0
121.06503	0.8
121.10122	1.0
123.04418	25.6
124.07581	1.7
125.02313	0.7
126.05518	0.6
127.03902	13.8
128.04187	0.7
129.01849	1.4
133.06494	2.0
135.04395	1.7
137.06035	0.9
142.08623	0.7
145.04944	7.6
147.02943	0.6
147.04425	2.5
156.79771	0.6
159.02849	3.9
159.04297	0.6
161.05957	3.4
162.18866	0.7
165.05478	1.2
165.09125	0.7
167.10690	1.4
171.02972	0.9
171.04448	1.6
177.05421	0.8
179.06989	1.2
184.09714	2.4
185.04193	0.7
189.03911	2.9
189.05495	6.2
202.10675	5.8
202.12346	1.0
202.14288	1.2
207.06552	2.1
220.11873	1.6
231.04965	2.7
234.09653	1.4
237.00797	2.1
248.90074	0.8
249.06061	0.8
269.33310	0.7
270.70551	0.7
282.52014	0.6
293.06430	0.7
311.07614	3.0
328.13788	1.2
333.38986	0.6
346.14911	0.7
364.16284	3.3
364.23254	1.7
365.08310	2.2
365.12128	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05556	1.6
55.01880	2.5
56.96551	6.9
57.03432	2.3
60.89931	1.8
69.03423	3.4
69.36387	10.2
71.04988	4.3
78.04682	2.9
81.03402	8.2
85.02885	4.2
95.04966	4.8
97.02882	3.0
98.97588	7.8
106.04151	2.3
112.23290	1.9
115.07558	2.3
116.98594	2.1
123.04439	9.7
128.98570	1.7
145.04924	2.7
147.04459	2.5
151.03876	5.8
167.07031	100.0
168.07362	2.3
169.07599	2.1
174.99152	2.2
193.01569	2.8
202.10716	3.3
202.14391	3.4
203.05287	6.6
211.02939	1.8
232.05550	2.2
234.99088	1.9
237.00652	2.4
255.01637	2.8
273.02847	3.9
303.08466	4.4
323.09924	2.2
365.12311	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	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	19.1
55.05510	26.3
60.04519	20.8
69.03423	32.9
69.07024	14.7
70.02963	17.5
73.02911	33.6
79.05494	19.9
81.03423	23.5
81.07066	37.9
82.07440	16.6
85.02905	51.9
90.05585	32.2
91.05475	24.4
93.07008	100.0
95.04935	37.5
97.06522	19.7
98.02428	22.4
105.06998	23.0
111.08035	18.5
119.08579	14.7
121.10131	94.0
124.07608	44.7
127.03934	48.2
131.21707	13.8
139.11198	20.9
142.08676	39.3
149.02348	26.9
167.10686	55.4
184.09679	28.8
185.09554	15.6
202.10738	90.7
217.07173	15.8
231.06525	17.7
234.09599	23.4
245.09113	40.4
287.10333	16.7
305.11237	60.5
320.18069	23.0
323.12576	29.1
328.13907	30.5
328.19711	24.1
343.87140	17.2
346.14871	38.2
363.94122	16.8
364.15985	59.9
364.21912	24.3
365.13278	58.6
385.50198	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01843	2.4
55.05501	24.5
55.52882	1.4
55.69213	1.4
57.07061	4.1
60.08146	3.2
65.03921	3.0
67.05497	61.3
69.07053	23.2
69.52946	4.5
69.53352	4.0
71.04962	3.8
73.02881	1.9
75.77406	1.4
79.05479	36.6
80.94827	2.6
81.06568	2.5
81.07042	43.8
83.05002	2.5
83.08602	9.1
85.06528	2.1
91.05464	14.9
93.07028	41.2
95.04935	5.8
95.08590	31.9
97.06528	4.1
97.10137	2.5
98.22826	4.6
98.23472	2.9
99.04429	2.3
105.07006	8.1
107.08581	17.2
109.10124	10.5
117.07032	1.9
119.08596	4.2
121.10131	12.6
123.08026	2.3
123.11681	2.2
131.08577	3.1
133.10147	3.4
135.11707	8.7
145.10103	2.0
147.11646	2.9
149.13239	5.7
153.27409	1.6
163.14738	2.1
167.92769	1.5
212.11464	1.5
305.24704	84.1
306.24899	6.3
347.25867	2.7
364.32040	100.0
365.32425	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	365.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	7.8
63.36619	0.7
69.03425	1.2
70.61927	1.9
89.46460	0.7
89.75327	0.7
98.97572	3.9
116.98643	2.4
119.01907	1.2
128.98616	1.3
131.01883	1.0
131.05553	1.3
142.01758	1.7
143.01900	0.9
146.99660	1.5
152.33167	0.8
155.01891	1.4
156.98143	2.8
160.02841	1.8
161.02963	1.1
161.06606	2.2
163.03917	1.7
173.02971	0.8
174.99104	4.6
185.02647	1.6
185.04199	22.0
188.97125	2.2
189.00635	1.0
193.00244	1.1
202.98833	0.9
203.03493	3.0
203.05235	45.2
204.05777	0.9
206.98137	0.9
207.01851	0.9
209.01253	1.3
211.02745	1.2
215.07692	1.3
217.09296	1.0
218.99791	1.3
221.04568	1.3
222.00336	1.0
230.98253	2.1
237.00636	4.0
245.04863	3.5
248.99089	0.9
255.01816	5.6
263.00778	2.2
267.02301	2.7
273.02750	4.0
275.07291	0.9
287.02768	1.2
305.03854	1.6
305.10785	8.2
319.01230	1.0
329.01654	1.2
333.06937	0.9
337.02386	1.9
343.10345	0.7
365.10620	100.0
366.11053	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	365.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.2
61.61005	1.0
63.15819	0.9
69.03422	14.0
71.42255	1.0
81.03414	6.5
83.06096	2.3
84.04508	4.0
98.97585	1.7
99.04439	10.1
102.04047	2.2
113.71366	1.0
118.03519	2.9
119.01955	2.9
124.00749	1.1
131.05534	1.9
136.04559	1.3
141.05128	1.8
142.01744	4.7
142.03496	3.1
143.06667	3.3
156.97504	3.2
159.06134	3.6
160.02856	3.0
160.04587	1.1
161.02965	1.6
161.06544	1.7
161.07718	5.3
174.98538	2.2
185.02567	1.9
185.04184	11.4
186.04005	2.7
187.05640	12.8
195.04465	5.9
195.54669	1.4
201.23607	1.0
203.00624	1.4
203.03419	6.8
203.05287	21.1
203.99089	3.7
205.06677	10.5
206.06709	1.7
213.00157	1.4
213.99673	2.4
221.01692	7.9
221.04512	4.0
222.00116	39.9
223.00301	2.1
223.03264	3.2
223.09335	1.7
224.01686	1.6
225.01373	3.2
226.05431	2.0
235.05801	2.8
239.02840	1.4
240.01186	30.2
241.01335	2.3
241.04128	1.2
245.04514	7.5
246.05241	1.3
249.01196	7.0
267.02258	100.0
267.08051	5.6
268.02847	5.4
285.02753	9.1
285.09216	1.4
286.01755	5.6
287.02795	7.6
303.03598	1.8
305.03812	8.6
305.10678	5.8
347.04791	2.3
365.05923	10.1
365.10492	57.2
366.10971	2.7
389.08075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	12.1
58.99865	2.1
67.05466	2.3
68.11253	2.3
69.89188	7.5
90.12146	2.5
98.97594	20.3
101.00905	2.5
110.97540	3.7
116.89999	2.4
116.98594	7.4
119.01879	7.7
124.00706	5.3
124.93587	2.3
124.95512	3.9
128.98598	5.2
131.01842	4.7
131.05556	4.7
133.03482	2.8
142.01741	21.7
145.03433	2.5
155.01866	4.1
156.98038	3.5
158.99687	3.7
160.02783	12.9
161.02933	3.0
161.06595	7.4
170.99652	3.2
173.02927	4.7
174.99113	3.3
177.00601	2.7
185.02840	4.0
185.04237	24.1
188.97086	8.1
189.00615	3.4
202.98640	5.4
203.03433	23.8
203.05272	44.9
203.07487	7.3
204.01730	3.2
214.79510	2.5
215.07681	5.3
217.00314	3.7
221.04427	19.7
230.98146	5.2
237.02838	3.6
244.99535	3.3
245.04755	18.4
263.00848	7.4
275.05981	3.7
290.41513	2.7
305.10852	24.3
365.11072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.1
66.02216	0.8
69.03430	3.4
71.13896	1.1
75.67986	0.8
78.57986	0.7
81.03424	2.2
84.04469	1.1
84.32196	0.7
98.97615	0.9
99.04428	2.5
102.04018	1.2
118.03509	2.3
119.00204	0.8
119.01894	1.2
136.04543	2.3
141.05020	1.8
142.39804	0.8
143.06694	2.8
156.97379	0.9
159.06151	4.0
160.04546	1.0
161.01190	1.2
161.07748	4.9
174.98523	1.2
185.04195	20.5
187.05652	13.7
188.05734	0.8
194.00699	1.2
194.99167	1.0
195.63272	0.8
203.03519	2.0
203.05238	46.6
203.99089	1.2
205.06689	10.2
208.99701	1.5
213.99687	2.1
221.01660	4.0
222.00104	20.4
222.02203	1.4
223.03300	1.4
223.09384	1.0
225.01302	1.1
240.01154	19.9
241.01270	1.6
245.04924	1.2
249.01186	3.2
267.02267	46.6
267.08371	3.3
268.00082	1.4
268.02615	1.2
285.02432	9.2
286.01764	4.3
305.03903	1.6
347.04874	0.9
365.10507	100.0
366.10889	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	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	2.2
69.03436	3.4
70.85532	1.3
71.49857	0.9
74.34932	0.9
78.10104	0.9
81.03423	2.6
92.56336	1.0
98.97591	1.7
99.04476	4.3
105.69324	1.0
114.97707	1.1
124.00749	3.4
142.01753	15.8
142.02795	1.5
157.03528	1.1
157.63669	1.0
159.04463	2.9
160.02771	8.0
161.06618	1.3
173.03029	1.6
177.03578	1.2
183.06252	1.5
185.02519	3.7
185.04160	22.9
186.04135	1.6
195.04529	1.5
203.03453	22.8
203.05351	50.1
207.57153	1.0
215.07594	1.2
221.04451	14.9
221.06192	1.3
222.00146	1.8
225.01491	1.1
226.05190	1.2
240.01201	2.3
245.04482	16.9
263.05606	2.7
267.02298	8.0
275.05753	1.4
305.03821	1.9
305.10980	4.2
365.10666	100.0
366.10953	3.9
371.07346	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66510	0.4
69.03410	0.6
71.41929	0.5
72.08169	0.6
73.64004	0.5
75.49974	0.4
81.03419	4.1
82.03750	1.6
84.48018	0.4
85.02874	1.2
86.03226	0.5
95.04966	0.5
100.49027	0.4
120.08099	1.3
123.04436	0.6
124.04753	0.7
127.03876	0.7
185.04211	3.7
191.61246	0.5
202.06038	1.0
334.10669	0.4
365.12054	100.0
366.12381	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	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41373	2.3
56.96556	10.7
81.03408	3.5
85.02899	2.8
97.02839	2.8
98.97576	8.5
98.98450	2.0
116.98609	3.9
127.03893	3.0
128.98663	3.3
156.98080	2.4
158.99745	3.5
161.42905	1.8
162.44374	2.0
174.99136	5.9
177.00723	3.0
185.04193	12.9
203.03139	30.3
203.05276	25.2
203.78778	2.1
211.02733	2.9
235.94391	2.1
237.00652	5.8
237.02809	2.7
248.27689	2.2
255.01711	11.1
273.02832	7.9
304.08835	2.1
323.10031	4.6
337.02234	3.7
337.08905	4.0
365.08383	53.9
365.11853	100.0
366.08426	4.1
366.12564	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	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
71.43605	0.9
84.50314	0.9
95.04947	1.5
95.08627	1.3
98.06072	1.1
122.05999	3.5
123.04423	1.6
124.03945	1.4
131.08640	0.9
138.05472	2.9
140.07040	1.8
143.08449	1.1
147.05487	1.1
147.08124	1.2
147.09184	1.0
148.03914	1.9
148.07556	7.6
158.05966	1.4
160.07599	2.1
161.05952	1.3
161.07121	1.3
161.09564	1.1
164.07050	1.6
164.78041	0.9
166.04984	5.9
168.06538	3.4
168.07967	1.6
171.09157	2.3
171.60530	0.9
172.07556	3.8
174.09142	3.8
175.08649	6.6
176.07080	9.9
176.09375	1.4
185.07076	1.8
185.10741	1.1
186.05470	1.0
186.09218	1.9
189.06660	1.7
189.10275	5.2
190.08623	3.1
196.07625	2.2
198.09193	2.2
199.08653	9.9
200.07085	6.5
200.08818	0.8
202.07118	1.5
202.08672	2.8
203.08131	24.0
204.06548	2.6
207.11331	2.0
213.06613	1.3
213.10269	6.4
214.08574	1.7
215.08199	1.7
216.10260	1.7
217.06348	1.1
217.09738	23.3
218.08179	1.5
218.10129	1.1
219.11314	1.4
223.08569	1.5
224.07034	2.5
227.08167	19.8
228.06528	2.7
228.08601	2.1
229.09711	3.2
230.08218	1.3
231.07564	1.8
231.11282	2.7
235.10759	3.3
241.09703	12.3
242.08130	6.8
243.11205	1.2
244.09645	1.3
245.09209	67.3
246.07420	1.8
246.09619	2.1
247.10826	3.8
249.08891	1.4
250.07040	1.9
259.06973	1.0
259.08078	1.4
259.10733	12.8
263.10248	41.3
264.10648	1.8
268.08493	1.0
269.09283	5.4
270.07510	1.6
271.10831	1.0
272.08997	1.3
273.08667	6.5
277.11819	1.8
287.10248	27.3
288.10428	1.0
289.11853	3.6
291.09723	12.8
305.11285	100.0
306.11670	5.8
315.09747	4.6
323.12357	42.1
324.12680	2.5
331.21661	1.1
333.10788	19.5
334.10980	1.2
347.12189	1.3
365.13394	98.4
366.13800	6.3
387.36771	1.1
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
56.63908	20.8
56.96567	48.2
59.44483	23.5
126.21967	22.8
130.68019	23.0
151.42099	22.2
171.15849	21.5
183.51894	24.4
255.09111	100.0
273.10172	49.7
319.14917	30.8
323.66525	27.8
365.19601	43.9
365.27747	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39812	1.4
67.05498	2.2
69.95216	4.8
82.00336	1.6
85.88979	1.6
95.30817	1.5
96.87331	1.5
98.22964	3.4
108.01849	2.3
115.35703	1.5
130.55402	1.4
147.04150	2.5
149.05751	5.1
195.09909	4.6
205.08324	19.4
221.11446	2.3
251.12605	4.2
263.12573	5.8
289.14127	3.2
289.17529	1.5
290.14911	3.6
319.15057	15.9
365.10233	3.0
365.19171	15.6
365.23038	100.0
366.23413	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93407	0.4
69.16546	2.4
77.95029	0.4
92.16201	0.5
93.22882	0.5
98.23324	1.3
108.01840	0.4
142.78821	0.4
195.09933	1.5
202.87753	0.6
205.08337	2.7
249.14688	1.1
263.12567	1.0
267.15408	0.6
295.15060	0.7
347.22079	0.5
365.22952	100.0
366.23303	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01857	5.6
55.05506	13.1
57.03431	50.4
57.07069	1.5
65.03923	4.0
67.05496	52.0
68.22896	1.4
68.85497	1.4
69.03406	4.6
69.07059	11.7
71.04979	4.8
79.05479	22.5
79.41539	1.2
81.03407	3.6
81.07050	24.0
81.55577	1.4
83.04969	3.4
83.08607	3.8
85.06046	2.7
85.06534	38.9
91.05466	24.0
93.07036	23.3
95.04958	63.0
95.08596	12.3
96.05260	1.4
97.02859	2.0
97.06509	4.7
97.10140	4.0
105.04469	1.9
105.07018	16.5
105.59667	1.3
107.04946	10.2
107.08595	14.7
109.06504	47.5
109.10129	4.5
111.08045	1.4
113.05991	100.0
114.06313	2.3
115.05409	1.5
117.07000	9.5
119.08560	13.7
121.06475	5.0
121.10122	4.5
123.08060	5.2
125.09614	1.6
129.07005	6.0
131.08536	13.3
133.06503	1.6
133.10091	7.1
135.08043	34.6
135.11681	6.0
136.08379	1.9
137.09566	3.0
143.08546	6.9
145.10104	10.3
147.08031	5.6
147.11678	2.1
149.09596	3.9
149.13237	2.1
157.10104	4.9
159.08069	3.2
159.11668	5.4
161.09610	7.2
161.13228	2.8
163.11147	1.7
165.09061	1.7
171.11655	3.1
173.13258	4.9
175.11157	2.1
177.12749	2.3
183.11661	2.0
185.13194	2.2
187.11122	1.5
189.11154	1.7
189.36618	1.2
193.12251	1.4
195.13734	2.4
199.11148	1.3
199.14812	2.8
204.51311	1.2
205.08369	2.8
217.15877	12.5
223.13280	2.8
245.18901	2.5
255.17476	3.5
263.12469	2.3
273.18472	23.7
291.19501	41.1
292.19879	2.3
347.21872	2.4
365.22964	76.3
366.23392	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01864	8.6
55.05507	31.3
57.03430	10.7
59.04987	1.9
65.03926	1.7
67.05499	33.6
68.05828	1.1
69.03424	14.8
69.07063	42.4
69.76560	0.9
69.94015	1.4
69.94361	1.3
71.04978	1.9
79.05485	29.1
81.03403	6.2
81.07051	23.5
83.04969	4.1
83.08610	9.2
85.06532	1.3
85.56397	0.8
87.48139	1.0
91.05479	13.2
92.73174	0.9
93.07038	19.0
94.13538	0.8
95.04964	10.2
95.08593	12.0
97.02882	16.8
97.06517	3.8
97.10162	15.2
98.23417	1.2
105.07020	11.9
107.04948	8.3
107.08581	14.2
109.06504	3.9
109.10145	13.0
111.08095	3.0
115.94614	0.9
117.06996	7.3
119.08587	10.4
121.06493	3.6
121.10159	5.6
123.04504	1.0
123.08060	3.5
123.11728	1.2
125.09624	14.8
129.06960	2.6
131.08551	8.0
133.06473	1.6
133.10129	6.2
135.08005	5.2
135.11667	2.3
137.09610	3.4
143.08495	1.8
145.10112	5.3
147.08026	5.4
147.11714	3.1
149.09660	1.3
149.13249	1.7
151.11238	0.9
153.90021	0.8
157.10092	2.5
159.11717	2.8
161.09671	1.7
162.10458	0.9
163.11176	2.0
165.09155	2.3
169.10023	0.9
171.10129	1.4
171.11613	1.3
173.11700	1.7
173.13182	1.0
175.11131	1.7
177.12764	1.7
185.13277	1.2
189.11243	6.5
195.12119	1.0
195.13857	3.0
205.12221	2.6
212.81151	0.8
216.38013	1.0
223.13274	36.1
224.13649	1.2
227.12782	1.2
227.17833	1.3
245.19046	2.0
255.17357	1.3
263.19989	1.9
273.18442	11.9
290.09171	1.0
291.19516	100.0
292.19931	4.4
347.22031	1.3
365.23196	39.7
366.23495	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10192	2.2
53.03938	11.2
55.01870	21.1
55.04702	2.2
55.05509	42.4
56.51903	2.2
57.03436	29.2
57.07070	7.9
59.04997	29.5
59.75539	2.4
61.56464	2.3
65.03928	5.5
65.77831	2.4
67.05502	100.0
69.03433	16.6
69.07064	49.5
69.28458	9.1
71.04996	7.7
77.03878	2.8
79.05487	77.1
79.56261	2.2
81.03408	15.7
81.07052	95.0
83.04970	22.1
83.08622	17.4
85.02908	3.4
85.06513	5.0
89.34258	2.6
91.05474	88.7
92.05764	2.8
93.07040	65.6
95.04968	22.4
95.08598	33.1
97.02882	8.3
97.06514	11.5
97.10162	10.3
100.72154	2.4
103.05460	2.9
105.04513	4.5
105.07027	74.2
107.04945	24.0
107.08589	48.8
109.02846	3.2
109.05858	2.5
109.06519	17.0
109.10149	43.3
110.10482	2.4
111.04476	5.6
111.08073	13.2
115.11233	3.6
117.07034	20.7
119.08575	28.1
121.06537	13.3
121.10140	22.5
123.08073	12.5
123.11719	13.2
125.09618	10.7
129.06985	10.5
131.08560	27.5
133.06483	20.6
133.10120	73.4
134.10439	3.9
135.08047	25.1
135.11693	7.6
137.09621	6.5
139.07549	3.6
143.08562	9.0
145.10135	14.4
147.08038	10.0
147.11697	11.0
149.09602	24.7
150.00885	2.8
151.11174	38.2
157.10124	8.7
159.08020	7.8
159.11691	7.1
161.09576	16.3
161.13258	3.3
163.11221	3.5
164.07904	2.5
165.09108	3.4
169.10027	2.6
169.12271	5.3
171.11679	6.5
173.13280	2.7
175.11168	7.7
175.14943	3.1
177.09108	11.0
177.12773	5.0
179.10667	3.8
181.12253	2.8
185.13242	3.8
187.11226	4.4
189.11160	4.9
189.12729	4.0
191.14217	2.6
223.13280	16.4
245.18921	13.3
253.14302	21.5
255.17570	3.5
263.20044	7.4
269.13821	9.1
273.18475	48.8
291.19507	69.5
292.19882	6.2
347.22189	4.9
365.23212	57.8
366.23480	5.2
384.48032	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	365.2684
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
55.05499	16.3
57.07067	100.0
58.83953	3.4
59.04980	3.4
67.05486	24.8
69.07068	49.4
71.04973	6.8
71.43230	3.7
74.08571	3.0
79.05469	16.2
81.07037	20.0
83.04955	7.4
83.08597	8.7
83.39481	3.0
85.06053	4.7
85.06535	61.3
91.05463	11.3
93.07025	24.7
95.05023	3.1
95.08591	21.2
97.06507	15.7
101.06035	3.4
104.99164	3.2
105.07001	4.7
107.08576	22.7
109.06483	23.7
109.10137	8.6
111.08044	11.6
119.08558	6.5
121.10110	7.6
121.73436	3.3
123.08065	7.7
133.10103	6.1
135.08028	30.9
135.11658	37.2
145.10059	3.8
151.07581	4.2
153.12721	15.8
161.09544	3.7
163.11198	5.3
165.12747	9.7
171.82466	3.1
175.80280	3.4
177.12737	12.3
179.14331	5.0
183.63712	3.7
191.14249	3.9
193.12209	4.3
217.14331	12.6
244.10493	2.8
244.62766	3.6
263.20010	55.8
279.19470	4.7
281.20847	3.5
291.19742	3.6
337.27106	4.8
347.25769	84.9
348.26028	8.9
365.10538	4.3
365.22760	6.7
365.26849	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	365.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59505	0.5
55.05499	1.3
57.07070	12.9
67.05486	2.2
69.07057	1.3
79.05479	1.3
81.07026	1.6
83.08627	1.1
85.06535	8.5
91.05466	1.5
93.07005	0.9
95.04962	1.0
95.08603	2.4
105.07014	1.0
107.08573	1.4
109.06507	13.6
109.10128	0.9
111.08086	0.6
119.08574	1.5
121.10136	0.6
123.08074	2.3
130.54276	0.6
137.05960	1.7
151.07512	6.5
156.35512	0.5
193.12248	0.6
198.94743	0.6
263.20035	100.0
264.20401	6.8
347.25778	1.7
347.58853	0.6
365.10281	0.7
365.26849	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01865	1.9
55.05501	4.4
57.03431	1.4
57.07072	20.8
63.34374	0.6
65.54371	0.6
67.05495	7.1
69.03422	2.0
69.07060	8.9
69.48286	2.2
71.04983	1.2
71.08622	0.9
79.05481	5.9
81.03390	0.8
81.07048	6.2
83.04954	1.5
83.08619	2.7
85.06536	12.0
91.05480	4.8
93.07058	7.0
95.04961	4.7
95.08594	6.3
97.02880	2.7
97.06522	2.6
97.10139	1.5
105.07024	4.6
107.04970	1.0
107.08586	6.6
109.06506	6.8
109.10155	3.3
111.08068	1.7
117.07027	2.3
119.08558	5.5
121.06490	0.7
121.10144	2.3
123.08054	7.2
123.11713	0.8
124.08841	1.5
125.09631	2.1
129.06950	0.9
131.08575	2.7
133.10130	2.6
135.08022	5.2
135.11743	0.8
137.05933	0.8
137.09656	1.3
142.07799	0.7
143.08553	2.8
145.10110	2.3
147.07996	0.8
147.11719	1.5
149.09612	1.3
149.13286	0.8
151.07547	5.2
151.11157	1.2
152.08319	7.2
157.10133	3.5
159.11737	1.9
161.09659	1.1
165.09105	10.7
165.12694	0.7
166.09830	0.9
170.10805	0.8
171.11691	1.4
175.11124	1.0
177.12775	1.4
179.10707	2.7
181.10089	1.4
183.11679	1.3
185.13274	1.8
187.14998	1.0
189.11145	0.8
194.11496	0.8
194.13000	4.4
195.11700	1.7
195.13766	1.7
207.11760	1.3
207.13721	1.3
209.13272	1.1
216.15952	0.7
223.13330	2.9
249.18509	1.2
263.20044	13.8
273.18582	1.2
281.21045	0.7
291.19574	12.5
291.22733	1.3
292.20068	1.1
319.26279	1.0
347.25833	28.7
348.26181	1.9
365.26898	100.0
366.27252	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	365.2684
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
51.83871	0.3
55.05501	1.5
57.07065	3.6
65.29649	0.3
67.05460	1.5
68.56360	0.3
69.07068	2.4
70.93357	0.5
71.05001	0.3
71.08604	0.8
79.05453	1.3
81.07031	2.3
83.04921	0.4
83.08577	0.7
85.06501	1.4
91.05439	0.5
92.36826	0.3
93.07056	1.9
95.04912	0.5
95.08608	1.8
97.06487	1.1
104.99242	0.3
105.06999	0.6
107.08587	2.2
109.06509	2.3
109.10105	1.0
111.04380	1.0
119.08543	0.5
121.10100	0.7
122.94047	0.3
123.07258	0.5
123.08061	6.7
124.08772	1.0
125.05931	1.1
133.10075	0.8
135.08083	1.6
135.11681	0.6
137.05930	1.0
137.09583	0.8
139.07529	0.8
143.08427	0.4
145.10075	0.4
147.11659	0.6
148.22673	0.3
149.09590	0.6
151.07527	4.0
152.08331	3.5
155.01025	0.3
159.11681	0.4
161.09560	0.5
164.08307	0.6
165.09102	16.2
165.12752	0.8
166.09698	1.5
166.11098	0.3
175.11150	0.7
177.09050	0.8
177.12636	0.5
179.10655	2.4
179.14287	0.8
181.12105	0.4
189.12686	0.3
191.10658	0.4
193.12189	0.8
195.13748	1.0
208.14546	2.2
219.13794	0.5
221.15294	2.2
235.16927	0.9
249.18582	1.9
263.19989	1.8
298.98956	0.4
305.24646	2.8
319.26315	4.5
320.26587	0.5
326.22430	0.3
337.27393	0.3
343.40765	0.4
347.25763	50.3
348.26089	4.4
365.26825	100.0
366.27097	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	366.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84433	1.1
56.96284	2.0
56.96558	36.2
70.48573	1.0
71.11945	1.3
84.96033	9.6
88.11243	1.6
98.97572	90.7
102.68703	1.2
102.97091	1.2
110.97557	65.4
112.99100	4.3
116.98610	67.3
128.98592	100.0
129.10202	1.9
131.00168	7.8
134.99635	32.1
136.06152	5.2
140.00226	1.8
140.10303	1.3
144.98042	2.4
146.99631	68.8
148.00012	1.7
149.01248	5.9
153.00703	4.3
154.05772	1.0
158.01266	1.2
158.99657	3.5
161.01196	1.2
162.99155	2.8
165.00769	7.5
170.99641	6.0
172.21448	1.1
174.00758	2.3
177.00690	2.6
182.99678	3.2
189.00685	20.3
192.01906	55.2
201.00705	6.0
204.05466	1.5
207.01701	4.3
210.02959	61.2
219.01930	2.0
220.01416	4.9
228.03995	7.1
234.02972	27.7
238.02397	3.5
246.02951	37.9
246.05426	2.4
247.03096	1.9
248.04509	5.4
249.02882	2.1
252.03981	17.5
259.18845	1.2
261.02988	1.4
262.02487	1.2
264.04019	17.3
266.05630	1.7
280.03394	1.5
282.05038	2.7
306.04932	1.5
324.06119	33.3
325.02542	1.1
342.07184	36.5
343.07224	1.2
366.07147	63.6
366.11566	3.2
367.07245	3.2
384.08212	19.6
385.08469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73939	1.7
51.04694	1.6
52.11806	1.9
53.03926	6.2
55.01872	4.1
55.05494	2.5
57.03417	4.6
61.02916	4.2
69.03060	2.9
69.03419	30.2
69.48608	6.4
69.49009	3.6
69.91917	2.2
71.04971	4.6
73.02896	6.6
81.03408	22.6
85.02891	100.0
87.00819	43.1
91.03947	2.3
93.07003	2.0
97.02886	32.0
99.04437	13.2
105.01853	61.9
109.02864	24.3
111.08049	2.1
117.01861	3.0
126.05530	2.2
127.03895	75.6
128.04227	2.5
129.01822	3.1
129.94829	1.8
145.04938	34.8
159.02872	15.3
180.09073	1.8
189.03922	3.5
209.11633	2.8
213.03943	2.7
231.04984	19.5
249.06052	3.4
251.14296	1.8
259.38644	2.5
295.11823	3.3
348.91971	2.0
366.22321	2.3
367.22604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01878	3.5
55.05510	9.0
57.03429	7.2
59.04996	4.9
61.02916	4.2
68.99792	2.3
69.03427	42.7
69.07046	3.4
71.01322	2.9
71.04990	8.6
81.03410	30.6
81.07034	6.0
81.30195	2.3
83.01338	3.9
83.08611	6.4
85.02901	51.6
87.00825	30.0
87.04462	5.5
88.83161	2.4
91.05480	3.5
93.07047	3.4
94.07365	4.1
95.04987	2.5
97.02889	74.8
97.05060	2.2
97.06554	2.6
98.23429	5.5
99.04443	26.7
101.02380	3.3
105.01859	30.6
105.07038	6.2
106.07371	2.9
107.08608	4.8
109.02847	10.0
109.10166	3.9
110.54836	2.5
111.04394	2.3
119.08553	2.3
127.03912	100.0
129.05467	5.5
135.08084	2.4
135.11717	3.8
144.64409	2.3
145.04956	72.0
163.07532	3.3
175.07567	7.3
181.88730	2.2
185.06033	3.4
213.04048	2.7
231.04987	53.8
249.06012	18.6
323.12753	2.9
366.15961	2.5
367.15259	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
57.03409	2.3
59.45129	1.8
63.49766	1.7
69.03422	5.9
69.60403	7.8
70.67860	1.8
71.04393	1.8
71.04977	7.5
75.91241	1.7
76.26320	1.6
79.05486	15.3
81.03416	2.5
81.07050	100.0
83.04952	4.6
83.08616	2.5
85.02899	11.0
93.07037	13.0
95.04963	3.3
95.08595	3.2
97.02886	3.3
99.08064	4.3
105.07048	4.6
107.08575	2.8
108.11113	1.9
109.02897	2.1
109.10165	2.3
120.08156	1.9
123.11687	3.0
127.03927	4.7
133.10107	8.4
145.04974	5.4
147.09167	4.5
151.11177	4.3
153.01808	4.2
243.12228	5.3
271.10760	3.0
275.86346	2.0
281.14874	3.7
292.19037	3.7
324.67035	2.2
366.22702	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	366.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95293	3.9
57.07080	38.4
60.52469	4.7
61.12499	4.8
69.07056	5.5
71.08633	22.5
81.07065	8.3
83.08620	7.1
85.10186	13.5
89.06030	100.0
95.08624	6.1
103.73305	5.3
106.23199	4.4
107.07108	5.2
133.08606	34.7
157.42497	4.7
177.11273	7.6
195.12256	43.8
228.11580	5.2
349.29785	23.4
366.89746	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	367.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78933	2.1
70.44427	4.0
94.93008	2.9
98.23354	2.0
98.97556	2.7
100.40907	1.9
100.56466	1.9
112.87619	1.7
116.98602	1.6
120.41722	2.0
159.62114	2.1
177.99950	1.9
194.69725	1.8
226.96176	2.1
239.23201	1.8
255.46657	2.0
367.09991	100.0
368.10403	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	367.1175
Annotation	Candidusin C
Peak:m/z	Relative Intensity
51.42538	0.9
53.45730	1.1
55.01860	3.8
63.86176	1.0
67.55047	0.9
68.74123	1.1
69.07072	1.1
71.42874	1.3
72.10394	0.9
72.18793	1.1
81.07041	1.2
91.05479	1.3
107.04949	1.3
165.07025	3.6
175.96439	1.1
178.07794	3.8
179.08528	2.2
189.06929	6.0
189.82840	1.1
190.07690	5.0
191.08537	4.9
193.06482	3.0
194.07329	1.7
202.07747	3.8
203.08511	2.9
205.06494	4.6
206.07193	2.7
207.07997	5.9
208.08786	3.4
215.08620	1.2
218.07240	16.5
219.08020	8.5
220.08781	2.1
221.05923	5.3
221.09514	1.4
222.06569	1.3
230.07220	1.3
231.07993	2.9
232.08643	1.3
233.05794	1.1
233.09438	1.5
234.06828	5.3
235.07439	7.7
236.08224	6.3
237.08952	1.6
246.06728	6.6
247.07460	8.4
248.08293	6.1
249.05513	2.0
249.09143	3.4
250.06084	1.5
253.08559	1.8
261.09070	13.2
263.07031	3.8
264.07791	13.2
265.08511	3.6
274.06146	3.2
275.06921	1.3
276.07855	3.0
277.05484	1.4
277.08350	6.0
278.09332	6.6
279.10098	2.5
281.07889	1.2
289.08542	14.6
290.08984	1.6
292.07144	9.7
292.09460	0.9
293.08087	5.4
297.72464	1.3
305.08109	2.8
306.08710	2.4
307.09619	13.4
308.10150	3.4
317.08099	6.5
320.06805	1.9
335.09103	100.0
336.09570	11.2
367.11749	15.6
368.11984	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1881
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
56.96564	32.4
58.25674	2.0
69.09400	9.6
69.09799	5.2
71.95261	2.3
79.05499	2.8
81.07047	9.4
97.96751	3.4
98.23106	11.5
98.97562	2.6
103.86543	2.1
110.97569	3.9
128.98604	3.0
137.36133	2.0
188.25304	2.1
189.28375	2.0
199.06403	4.6
203.05766	2.9
213.07930	14.3
217.07574	3.0
225.07962	4.6
229.07408	5.3
231.09056	11.9
237.08101	2.3
239.09573	5.3
241.11079	3.3
243.09189	4.0
251.09544	7.3
255.08943	9.7
257.10657	2.7
259.12186	6.5
269.10568	32.7
273.10095	5.8
279.09134	2.8
287.11606	13.7
315.11292	3.1
331.15625	11.0
335.09192	4.5
349.16800	19.5
367.17905	100.0
368.18439	4.6
385.18842	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	367.2477
Annotation	Betaenone A
Peak:m/z	Relative Intensity
55.01860	12.6
55.05509	15.0
57.74737	6.9
67.05494	24.6
69.07058	18.6
71.58772	6.7
79.05494	24.1
80.94852	8.2
81.07038	29.8
83.08617	8.5
91.05473	28.7
93.07028	31.0
95.04955	11.0
95.08597	26.2
105.06989	23.4
107.04945	12.7
107.08570	16.4
109.06462	11.1
111.21185	7.3
117.06953	9.6
119.08562	19.5
120.15296	7.4
121.06480	12.0
121.10075	15.1
131.08548	20.4
133.10126	23.6
135.08017	8.9
145.10054	13.1
147.11674	14.3
159.11732	9.3
163.11316	7.7
247.20529	7.6
257.18936	13.7
275.20032	100.0
287.40811	8.9
293.21054	15.5
297.05359	7.2
314.95731	7.7
349.23712	44.6
367.11548	14.3
367.24734	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.2
55.01873	8.4
55.05512	31.7
57.03435	17.4
57.07076	2.4
65.03933	3.1
67.05502	56.6
69.03423	7.1
69.07065	24.2
71.04987	4.9
71.07335	1.9
73.47306	1.8
79.05487	46.5
81.03412	5.0
81.07053	100.0
83.04971	7.2
83.08617	11.3
85.06521	3.1
91.05478	43.4
93.07043	41.5
95.04957	15.8
95.08607	40.7
97.06544	11.0
97.10144	3.5
98.23610	3.6
99.08098	3.6
105.04525	2.7
105.07020	49.2
107.04949	9.3
107.08589	29.5
109.06511	12.8
109.10150	19.2
111.08072	5.4
115.05405	2.5
117.07013	11.0
119.08585	36.6
121.06483	5.2
121.10126	17.7
123.08063	6.0
123.11681	11.6
125.09647	6.8
129.06966	4.8
131.08534	14.4
133.10109	29.7
135.08054	7.3
135.11647	9.7
137.09612	4.2
137.13287	2.1
143.08604	2.8
145.10132	18.7
147.08055	2.1
147.11688	19.8
149.09616	12.2
149.13252	7.3
151.11177	4.9
155.08508	2.5
157.10121	4.6
159.11687	13.7
161.09648	2.2
161.13293	4.0
163.11147	8.1
165.12691	5.6
169.10133	2.4
171.11690	2.5
173.13263	6.0
175.11232	2.9
175.14915	2.3
177.12744	3.3
179.14291	1.9
183.72441	2.1
185.13071	2.2
187.98965	1.7
197.13264	2.5
215.17987	2.0
229.19499	3.0
239.17926	4.0
247.20607	5.7
257.18985	7.1
269.17374	3.9
275.20053	59.4
276.20285	4.3
293.21060	5.0
349.23758	12.7
367.24811	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01867	7.6
55.05258	1.9
55.05510	23.7
57.03440	15.8
57.07072	1.5
65.03941	3.5
67.05500	50.8
69.03426	2.2
69.06707	2.5
69.07063	33.6
71.04980	3.7
76.18787	1.2
79.05488	38.3
81.03393	3.9
81.07051	100.0
82.07410	1.3
83.04970	6.8
83.08614	17.4
85.06543	3.7
91.05473	27.3
93.07037	29.4
95.04959	13.4
95.08599	28.7
97.06535	10.9
97.10174	3.0
99.08087	4.1
102.13795	1.4
105.04488	2.0
105.07019	28.9
107.04947	7.8
107.08588	16.8
109.06507	23.5
109.10139	12.4
111.08083	4.8
115.05419	1.6
117.07017	7.4
119.08582	19.0
121.06489	5.8
121.10118	13.0
123.08048	11.1
123.11678	5.5
125.09640	3.2
129.06979	2.3
131.08566	13.6
133.06540	2.4
133.10112	12.8
135.08055	5.1
135.11679	7.3
137.09601	5.2
139.11151	1.7
143.08542	3.3
145.10074	9.6
147.11676	19.0
149.09610	9.3
149.13242	9.1
151.11130	2.7
157.10086	2.3
159.11679	8.5
160.46271	1.3
161.13235	4.3
163.11176	9.7
163.14787	2.6
165.12729	5.8
171.11685	2.3
173.11803	1.2
173.13281	3.9
175.11221	3.5
177.12747	3.2
179.14326	1.9
183.11656	2.8
187.11209	1.7
187.14815	2.6
189.11180	1.8
189.12810	1.5
193.12102	2.4
195.13808	2.3
197.13379	1.3
201.12698	1.7
207.13911	2.0
215.17944	1.6
219.17471	1.8
229.19478	3.6
233.15050	1.2
237.14923	2.0
239.17975	1.8
247.20609	4.1
257.18964	5.6
272.09695	1.5
275.20032	47.5
276.20480	2.4
285.17117	1.5
293.21121	6.2
329.45016	1.4
349.23740	12.8
367.24863	22.9
368.25217	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01865	6.1
55.05503	20.8
57.03431	15.2
57.07048	1.0
60.03407	0.8
62.35622	0.9
65.03915	1.5
67.05498	44.3
69.03425	3.5
69.07059	32.0
70.55459	1.3
70.62319	0.9
71.04992	5.6
71.35221	0.8
77.03900	1.4
79.05485	34.8
81.03407	3.5
81.07048	100.0
82.07403	1.9
83.04971	5.6
83.08611	11.8
85.06533	3.0
91.05468	26.8
93.06448	1.3
93.07038	26.6
95.04955	11.5
95.08601	28.5
95.09216	1.4
97.06512	11.4
97.07044	1.3
97.10148	2.5
99.04440	0.8
99.08073	4.2
105.04549	1.9
105.07014	29.4
106.53046	0.8
107.04937	6.2
107.08582	17.8
109.06516	17.0
109.10150	10.1
111.08035	4.7
115.05428	1.5
117.07002	8.1
119.08570	20.0
121.06506	3.8
121.10130	14.0
123.08064	10.7
123.11700	9.8
125.09627	3.0
127.07584	2.0
129.06999	3.3
131.08540	9.1
133.10120	14.8
135.08047	3.8
135.11693	6.2
137.08624	0.9
137.09615	3.8
143.08589	2.6
145.10098	9.1
147.11668	21.9
149.09596	7.8
149.13249	5.9
151.11183	2.6
157.10100	4.7
159.11656	8.3
161.09636	2.0
161.13232	3.5
163.11145	8.0
165.12735	7.8
167.14330	1.4
171.11678	2.6
173.13210	4.5
175.11220	2.8
177.12727	2.9
179.14302	1.4
183.11684	1.5
187.11128	1.8
193.12299	2.0
195.13820	2.3
197.13261	1.6
201.12605	1.2
207.13800	1.2
219.17459	1.3
229.19531	2.2
239.17917	2.1
247.20514	3.3
257.19077	3.6
275.20056	29.0
276.20306	2.1
293.21057	4.4
349.23987	5.7
349.27567	1.3
367.10934	2.5
367.24716	33.6
368.25238	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36901	3.4
52.29933	3.5
53.03945	4.5
55.01868	32.9
55.05260	6.4
55.05506	93.7
57.03430	37.2
59.04992	7.6
65.03935	6.4
67.05493	100.0
69.03413	6.7
69.07063	52.0
71.04988	18.2
71.40009	3.6
71.61157	4.3
77.03902	5.7
79.05047	5.8
79.05485	94.3
81.03394	16.8
81.07050	93.3
82.46765	3.5
83.04970	56.7
83.08611	47.6
85.02884	15.1
85.06530	8.3
91.05468	71.6
93.07036	95.2
95.04337	4.8
95.04956	97.8
95.08591	58.7
97.06518	24.6
97.10167	26.6
99.04447	32.2
99.08083	3.5
99.51730	3.6
104.89919	3.7
105.04514	6.7
105.07025	54.2
107.04937	25.0
107.08579	87.7
109.06474	15.2
109.10122	33.6
111.03678	4.6
111.04430	63.1
111.08066	25.1
117.07008	20.1
119.05997	3.4
119.08568	43.3
121.06485	15.0
121.10127	47.4
123.08074	18.5
123.11632	4.2
125.09606	24.4
129.06996	5.5
131.08524	27.5
133.10109	34.0
135.08051	14.3
135.11662	22.8
137.09615	7.0
139.07561	4.7
139.11142	8.9
143.08562	8.6
145.06462	3.8
145.10115	37.1
147.08011	9.1
147.11656	19.0
149.09608	65.0
151.11165	7.7
153.12746	7.7
157.10106	7.2
159.08188	4.6
159.11656	19.6
161.13286	5.8
163.11142	45.6
163.12299	5.7
169.10086	8.3
171.11682	6.1
173.11880	5.1
173.13255	9.7
174.70833	4.3
177.12663	8.8
181.12233	10.7
183.11668	6.8
187.11102	7.6
189.11201	15.3
191.10733	4.2
205.12163	9.4
211.13324	4.3
220.94662	4.5
223.13271	72.7
229.19508	8.2
237.14778	4.4
239.17996	7.5
242.80838	3.4
247.20630	6.1
257.18991	17.3
275.19998	93.6
276.20297	5.5
293.21097	30.0
309.81400	4.7
349.24008	4.8
367.24423	39.0
368.25037	4.9
369.34787	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01866	5.1
55.05508	12.5
57.03419	3.7
57.07054	1.8
67.05498	24.8
69.03429	2.7
69.07063	16.6
69.13543	4.2
69.13946	2.2
71.04978	2.4
75.11783	0.9
75.62328	1.2
79.05485	20.2
81.03425	1.1
81.07050	32.0
83.04955	8.2
83.08597	5.4
85.06519	1.9
89.70889	1.1
91.05468	21.8
93.07030	29.3
93.07604	1.9
95.04973	8.1
95.08594	17.5
97.06525	4.7
97.10181	3.0
98.23426	2.7
105.04468	1.2
105.07016	24.7
107.04942	7.4
107.08578	17.0
109.06496	8.1
109.10129	7.7
111.08086	3.4
116.14309	1.2
117.07007	8.5
119.08565	16.3
121.06497	9.5
121.10123	10.7
123.08039	6.4
123.11688	2.8
125.37077	1.0
129.07033	2.8
129.29570	1.2
131.08565	19.2
133.06497	2.1
133.10104	17.9
135.08023	6.2
135.11685	4.4
137.09630	2.9
141.06941	1.2
141.91396	1.1
143.08537	3.3
145.06456	2.2
145.10115	14.7
146.07089	1.1
147.08031	3.6
147.11659	12.8
149.09639	6.9
149.13266	4.4
151.11192	5.2
155.08533	1.2
157.10117	4.4
159.08032	1.9
159.11668	9.6
161.09579	3.2
161.13284	3.1
163.11111	5.7
164.55423	1.1
165.12788	1.9
169.10132	2.0
171.11697	2.9
173.09583	2.8
173.13243	4.8
175.11218	2.5
177.12779	3.0
179.10587	1.4
183.11630	1.9
185.13309	1.3
187.11163	1.4
187.14835	2.2
189.06927	1.1
189.12671	1.3
191.14276	3.3
197.13220	2.0
201.12669	3.0
205.19444	1.5
207.13765	3.4
213.16426	1.3
215.17973	1.8
219.13744	3.0
229.19583	1.3
233.19028	1.3
239.17989	4.2
247.20540	4.5
257.18985	12.8
258.19205	1.4
275.20023	100.0
276.20438	8.0
293.20963	7.6
349.23761	27.7
350.24026	2.6
367.24890	21.6
368.25128	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89327	1.8
53.03953	4.1
55.01871	11.6
55.05505	25.0
56.15895	1.6
56.33252	1.6
57.03432	13.7
57.07061	3.1
59.04993	1.6
65.03934	2.1
67.05492	61.5
68.05860	1.6
69.03413	5.1
69.07056	27.1
69.47586	7.8
71.04987	5.6
79.05484	46.5
81.03399	4.3
81.07047	100.0
83.04960	9.0
83.08589	15.1
84.67335	1.6
85.06495	4.0
91.01328	2.0
91.05470	36.0
93.07028	34.3
95.04964	14.2
95.08595	34.8
96.05322	2.0
97.06518	13.0
97.10159	5.5
99.08068	3.9
103.05408	2.6
105.07018	39.4
105.07732	2.2
107.04941	10.6
107.08586	26.8
109.06521	11.9
109.10136	21.1
111.08070	4.9
117.07006	13.9
119.08572	33.4
120.73818	1.6
121.06494	4.8
121.10143	18.2
123.08062	7.6
123.11700	8.1
125.09614	5.3
129.07001	3.4
131.08572	15.9
133.10114	25.6
135.08049	7.9
135.11713	9.7
137.09608	6.8
145.10094	14.7
147.11671	19.4
149.09584	13.5
149.13248	7.4
151.11156	6.7
151.27328	1.8
155.08504	2.9
157.10121	6.6
159.11653	12.3
161.09558	2.1
161.13293	3.1
163.11169	6.9
165.12778	6.9
169.10094	2.3
171.11700	3.4
173.09708	2.2
173.13252	4.6
173.75536	1.6
175.11104	3.6
177.12688	5.8
180.39233	1.9
181.25632	1.8
183.11531	2.5
197.13287	2.4
229.19666	2.9
239.17862	3.1
247.20538	7.3
257.18970	7.6
263.20047	2.3
269.17453	6.4
275.20032	51.1
275.22919	3.1
276.20340	4.1
293.21002	4.4
349.23746	13.3
367.25113	23.6
368.24960	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01868	21.9
55.05508	49.9
56.63086	4.8
57.03448	23.6
57.07076	10.2
65.03921	5.7
67.05506	100.0
69.03425	5.4
69.07072	38.4
71.04990	13.6
71.08626	11.0
72.33952	4.5
75.11795	4.8
79.05489	64.8
80.05873	5.3
81.03410	13.7
81.07059	85.4
83.04978	25.7
83.08618	20.1
85.06558	6.7
91.05483	74.4
93.07050	51.4
95.04952	28.1
95.08591	38.7
97.06543	14.4
97.10160	10.4
99.04443	5.7
99.08094	9.0
105.07021	59.2
107.04951	18.8
107.08586	44.0
109.06493	17.5
109.10155	57.5
111.04427	10.3
111.08108	9.1
117.07011	12.7
119.08600	23.4
120.08939	6.7
121.06541	11.8
121.10182	11.7
123.08048	13.9
123.11707	11.5
125.09638	15.8
127.07649	5.1
131.08545	22.3
133.10124	76.6
135.08089	9.5
135.11652	14.8
137.09618	14.3
145.10136	19.5
147.11716	14.7
149.09610	15.6
149.13345	5.1
151.11165	37.5
157.10078	6.7
159.11685	9.9
161.09563	6.7
161.13213	4.7
163.11215	21.9
167.26164	5.0
169.12268	9.4
173.11832	5.3
179.14247	6.5
189.11313	6.1
204.71361	5.1
223.13274	10.8
246.32640	4.9
253.14302	6.2
275.20004	54.2
278.53549	5.9
292.53134	5.0
293.21149	16.7
367.24884	42.0
368.31305	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
53.86029	3.3
55.01867	55.1
55.05510	24.2
57.03428	10.3
57.07050	4.0
63.28112	3.5
64.43144	3.6
67.05494	55.1
69.07066	48.9
69.17953	14.5
69.18355	7.7
71.05002	4.2
71.08614	4.6
79.05489	51.9
81.03408	13.6
81.07050	84.1
83.04954	11.2
83.08616	14.3
85.06535	4.7
91.05470	57.5
93.07033	48.1
93.42731	3.9
95.01334	6.5
95.04958	23.6
95.08599	47.1
97.06525	82.0
97.10159	4.6
99.08052	5.6
105.04514	4.3
105.07025	59.2
107.04949	25.7
107.08584	30.5
109.06518	15.4
109.10146	12.1
111.04392	3.7
111.08054	5.7
117.07010	18.0
119.08575	39.4
121.06537	7.9
121.10146	15.9
123.08044	10.5
123.11699	5.1
125.09639	6.5
131.08572	25.9
133.10132	39.2
135.08046	6.9
135.11690	11.4
137.09566	5.9
145.10147	27.8
147.11658	15.6
149.09605	16.4
149.13239	7.6
151.11186	9.8
159.02098	4.0
159.11743	18.2
161.13245	6.7
163.11156	9.0
165.09106	5.3
171.11557	3.6
173.13261	8.8
177.12688	8.8
179.14317	16.4
187.11182	6.2
200.24867	4.3
247.20561	10.3
257.18976	13.6
270.55237	4.1
275.20065	100.0
276.20380	9.5
293.21069	8.6
295.54990	3.9
313.22089	4.0
349.23767	30.6
367.15131	4.0
367.25024	24.5
368.31229	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04779	4.0
53.03943	6.9
55.01867	16.1
55.05507	56.6
57.03428	6.9
59.04993	4.7
67.05502	70.2
69.03418	4.9
69.07059	26.1
79.05493	100.0
81.07056	71.8
83.04976	26.3
83.08611	28.1
91.05480	40.4
93.07034	64.7
95.04963	17.7
95.08607	22.3
97.06544	22.8
97.10175	24.6
105.04464	5.1
105.07025	53.1
107.04951	28.9
107.08594	71.9
109.06509	15.5
109.10147	28.4
111.08110	5.5
117.06995	23.1
119.08581	31.6
121.06516	6.3
121.10131	33.6
123.08126	4.9
123.11732	9.6
125.09611	30.6
129.06982	7.2
131.08594	18.3
133.10107	30.0
135.08070	8.8
135.11646	10.6
137.09633	7.7
145.10133	16.8
147.11705	26.6
148.12053	4.4
149.09619	72.1
149.13219	5.5
151.11276	6.0
151.55336	4.7
157.10025	6.8
158.02301	4.7
159.11696	14.3
161.13239	7.9
163.11198	9.4
169.12270	5.6
171.11613	5.4
173.13353	4.6
189.11224	22.3
197.13298	4.8
199.03221	5.9
213.16530	5.4
227.12805	14.3
229.19543	9.6
245.13788	8.6
248.18561	5.1
257.18918	23.3
274.50085	4.8
275.20050	98.5
276.20480	6.5
293.21027	6.3
301.17966	4.5
349.23718	47.7
367.24713	13.9
368.31314	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.0
57.07077	11.4
63.43761	5.8
67.05502	43.9
69.03416	12.2
69.07087	31.8
69.18301	31.4
71.04985	12.4
79.05492	36.2
79.93272	4.5
81.07040	49.5
83.04993	10.7
83.08620	10.0
85.06536	9.3
85.80026	5.0
89.27319	6.0
91.05461	58.4
93.07036	85.0
95.04967	50.2
95.08596	75.1
97.06524	20.5
98.22798	21.7
98.23487	11.5
105.07014	94.2
106.64315	6.4
107.08582	58.8
109.06522	22.7
109.10141	39.8
111.08086	8.6
116.99202	5.2
117.07021	24.3
119.08566	100.0
121.06467	12.1
121.10136	56.7
123.08070	7.7
123.11689	20.3
128.06207	8.9
129.06964	13.9
130.07774	8.7
131.08554	66.0
133.10136	59.2
135.08069	19.7
135.11710	21.6
137.09621	10.4
142.07805	16.1
143.08542	39.8
144.09344	17.8
145.10109	75.5
146.07144	10.4
147.08043	16.1
147.11656	19.8
149.09584	14.3
155.08521	13.9
156.09300	13.6
157.10112	59.8
158.10837	6.5
159.11682	51.1
161.09618	57.7
161.13261	9.3
165.06908	5.9
169.10106	20.5
170.10895	9.5
171.11662	33.7
173.09572	7.3
173.13258	32.9
175.11195	12.5
175.14839	20.5
179.08553	9.2
181.10214	8.5
182.10844	11.6
183.11674	26.3
185.13263	24.9
187.14816	12.3
189.12622	5.6
193.10051	6.8
194.10899	13.9
195.11720	13.2
197.13310	27.8
199.14835	16.5
201.12677	11.5
209.13182	29.8
210.14006	7.6
213.12733	6.5
213.16328	10.3
223.14972	7.3
225.16330	12.5
227.14287	28.2
237.16170	7.7
239.17960	14.0
255.17400	8.3
267.17545	8.5
346.60852	6.4
349.24896	12.5
367.26208	9.7
368.42563	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	367.2842
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.01870	1.9
55.05510	14.9
57.03435	1.6
57.07081	6.8
67.05502	15.0
69.07066	23.2
70.39532	1.4
71.04983	2.4
71.08624	15.1
71.92371	1.0
79.05502	8.9
81.07054	25.6
83.04968	3.9
83.08621	11.4
85.06528	3.2
91.05477	8.2
93.07037	13.4
95.04956	3.4
95.08598	25.4
97.06525	3.2
97.10172	3.8
99.04444	1.8
99.08076	13.7
105.07005	7.9
107.08584	14.6
109.06502	7.3
109.10155	10.5
111.04435	2.1
111.08071	5.2
117.07000	2.1
119.08584	8.0
121.06499	1.8
121.10133	8.3
123.08067	28.3
123.11693	5.3
125.05991	2.1
125.09637	1.8
129.06996	1.2
131.08548	2.7
133.10112	10.3
134.86356	1.1
135.08035	7.8
135.11699	5.8
136.08847	1.2
137.09592	3.6
137.13246	3.8
145.10089	4.3
147.11670	4.5
149.09631	3.7
149.13245	3.5
151.11127	2.3
153.12703	5.3
155.10670	1.8
157.10078	1.2
159.11696	2.0
161.09584	1.2
161.13248	1.9
163.11142	1.5
163.14809	2.8
165.12793	1.8
167.14310	1.4
171.11765	1.2
173.13266	2.1
175.14717	1.5
177.12695	2.1
179.14291	38.4
181.12181	1.5
183.11717	1.5
189.16316	3.0
191.14310	2.2
193.15863	2.2
194.74893	1.2
209.13240	1.3
220.25201	1.1
220.57704	1.0
251.20068	10.5
256.52347	1.1
275.19955	2.0
293.21121	13.2
293.28299	4.8
303.26801	14.4
304.27295	1.3
313.25159	1.9
315.39694	1.0
321.27835	5.8
331.26300	40.6
332.26581	3.1
349.27347	100.0
350.27579	6.6
367.24426	4.6
367.28528	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	368.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.5
53.95618	2.9
55.01871	9.8
55.97421	2.5
57.03429	6.1
58.29682	2.6
61.02919	7.3
68.93524	3.5
69.03421	43.6
71.04997	6.1
71.42687	2.6
73.02908	7.5
80.48602	2.6
81.03410	24.5
85.02893	100.0
85.06533	10.8
87.00822	43.3
87.04449	3.8
97.02885	40.9
99.04433	19.1
105.01850	69.0
109.02847	25.4
117.01902	2.9
127.03901	82.6
129.05482	4.0
145.04929	42.0
153.09001	2.8
159.02892	12.4
159.06856	2.7
163.03867	5.7
171.06474	4.4
185.04289	2.6
188.07071	10.0
189.07568	5.8
206.08076	21.3
207.06346	4.4
231.04935	21.3
249.06126	10.1
301.10165	3.2
368.13260	12.4
369.11508	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34501	10.2
69.88842	8.3
75.61975	10.0
85.02893	11.8
85.06541	10.7
93.07046	18.0
97.06520	39.1
103.82841	8.2
115.07564	100.0
129.05496	12.3
129.06987	9.8
135.08026	8.2
143.03003	7.7
143.07004	19.1
146.05956	15.0
153.01918	9.7
157.08594	92.1
171.10168	56.9
189.11241	38.1
216.15622	8.0
227.67200	9.4
235.88150	9.9
239.13608	8.7
250.61496	9.4
368.08771	10.0
368.13318	9.6
369.15146	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73491	1.2
53.03938	6.3
55.01864	6.6
57.03431	5.1
61.02925	6.6
68.99782	4.0
69.03424	37.0
69.35347	2.3
69.35738	3.6
71.04981	3.7
73.02911	4.1
74.01945	1.4
81.03408	23.0
85.02897	100.0
86.03231	1.8
87.00823	46.2
91.03928	1.7
97.02882	32.4
97.03484	2.0
98.22659	2.6
99.04447	14.6
103.03929	1.6
105.01855	75.2
106.42622	1.3
108.04489	1.8
108.77053	1.4
109.02873	26.3
115.03968	1.7
117.01845	2.7
127.03902	76.6
128.04247	2.9
129.01855	3.8
145.04947	35.8
147.02812	2.8
148.69064	1.5
159.02866	14.1
170.16882	1.4
171.02983	1.8
171.14059	1.7
175.07614	1.4
177.03998	2.5
189.03954	3.9
213.03912	1.8
218.07193	1.8
220.08652	1.7
223.07704	1.5
231.04955	22.1
231.07564	1.5
231.08087	1.4
235.07494	1.7
247.07642	1.6
248.08037	2.1
249.06032	6.5
249.08809	1.4
265.08524	3.7
279.09976	1.7
291.10019	2.2
309.11423	2.4
319.09570	2.3
333.51672	1.5
337.10645	30.2
339.12366	1.5
369.13345	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	368.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
67.05491	5.4
71.14646	4.3
79.05483	39.7
81.07066	3.6
91.05467	10.6
95.04956	6.7
97.06532	5.6
98.00287	2.9
100.23350	2.6
105.07069	4.5
107.04929	5.2
129.07053	3.4
149.06001	3.5
149.09653	3.2
151.07486	4.3
159.07977	4.2
161.06015	15.1
161.09567	20.0
165.06863	2.7
173.09627	2.8
175.07484	20.1
178.07709	3.0
179.08578	6.9
181.10060	4.0
189.09065	18.6
195.08025	3.8
201.09065	5.9
207.10132	6.2
211.07393	3.5
219.10132	19.4
223.07755	3.1
224.08295	3.5
226.09770	4.3
239.10657	16.0
241.12061	5.3
251.10559	2.8
257.11737	28.0
267.13821	13.6
271.13361	3.9
285.14819	86.7
297.14877	12.4
303.15875	100.0
304.16260	5.6
368.14929	3.3
369.15012	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	369.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
84.14379	0.5
85.02899	1.3
97.02847	0.5
100.23227	0.5
105.01830	0.8
127.03892	1.4
152.80698	0.5
181.56683	0.5
185.04173	4.2
206.05472	4.2
207.06258	10.8
207.08183	0.7
369.11520	100.0
370.11829	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	369.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54570	0.3
55.01857	0.8
57.03427	6.1
61.02923	0.6
65.03924	0.9
67.05505	0.6
68.99780	0.5
69.03426	2.9
71.01344	6.9
71.04991	0.3
73.02911	7.3
75.04484	1.2
78.86858	0.3
81.03380	0.4
83.01335	0.8
83.04958	0.5
85.02895	16.6
91.05470	100.0
92.05804	2.3
94.23542	0.2
95.01318	6.1
95.04974	0.5
95.08610	0.4
97.02880	5.4
97.06533	0.6
99.00830	2.1
99.04455	1.3
101.02370	2.4
103.03924	2.7
105.07027	0.5
107.04943	0.3
113.02354	6.8
113.03090	0.5
115.03948	0.3
117.01845	0.4
117.05448	0.3
117.06995	0.4
119.04905	0.3
119.08553	0.4
121.06509	0.3
123.00777	0.8
124.03980	0.3
129.05490	0.3
129.06996	0.3
131.03360	3.4
131.08606	0.3
133.10057	0.3
135.04439	0.3
137.05969	5.6
141.01814	11.3
141.05426	0.4
142.02187	0.3
145.04970	0.9
147.04391	0.7
151.03841	0.3
151.07507	0.6
159.02859	2.5
159.06500	0.7
161.05986	0.4
161.09673	0.6
163.07637	0.4
169.04942	0.9
174.06659	0.3
175.07526	0.7
187.06001	1.1
187.07480	0.3
189.09015	0.3
193.08583	20.6
194.08920	0.7
197.04388	0.7
201.09207	0.4
211.09566	0.5
215.05429	2.5
221.08052	0.5
231.13766	0.3
233.06543	0.8
235.09653	2.7
265.08780	0.4
277.10513	0.3
333.09900	0.5
351.10690	0.9
369.11081	0.8
369.15790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
51.69206	3.6
55.01866	4.3
55.41820	3.9
58.53000	3.6
65.03937	35.2
67.05499	8.0
69.47311	3.5
69.72343	13.2
72.37419	4.9
82.04181	8.4
85.02886	6.2
85.42828	3.9
91.05451	7.8
93.03384	13.6
93.70359	3.9
95.01345	6.3
95.04964	8.6
97.06523	4.5
98.22735	5.8
101.95766	4.0
105.07027	5.0
107.04938	7.3
110.03661	26.6
111.04439	23.2
125.06007	32.6
128.06186	4.3
128.71648	3.2
129.06976	4.4
131.04941	5.3
132.05634	3.9
132.59491	4.1
137.05945	5.5
153.05453	98.2
155.04851	4.2
159.08015	13.5
165.07065	5.5
167.06992	4.6
169.06415	4.9
175.07451	6.0
175.35803	3.6
178.07802	5.3
179.08551	4.3
181.37434	4.0
183.06398	3.9
184.05104	4.1
185.05957	21.5
186.06772	11.1
189.06987	7.4
190.07777	7.8
191.08537	10.8
193.06400	3.9
194.07240	3.6
195.07928	4.3
198.06689	11.7
199.07539	37.4
201.05420	7.7
202.07751	9.6
203.08572	6.7
205.06500	11.7
206.07201	7.3
207.08028	10.3
208.08757	4.8
209.09502	6.6
210.06679	4.9
214.06180	5.9
216.07806	39.7
218.07207	16.9
219.08055	24.9
220.08743	19.9
221.05887	13.2
221.09521	7.2
222.06683	5.5
223.07515	7.6
229.08551	27.1
233.06009	4.9
234.06752	9.2
235.07478	25.4
236.08298	32.2
237.08940	13.1
238.06264	7.0
245.06088	6.3
246.06744	8.7
247.07507	14.3
248.08261	15.7
249.05502	6.0
249.09090	13.0
250.06149	6.9
250.09807	6.1
251.07021	14.4
251.10645	42.8
252.07672	5.3
261.05392	5.8
261.09152	8.0
262.06177	9.2
263.07089	20.6
263.09927	3.8
264.07794	47.2
265.08499	22.0
265.78622	3.7
266.06128	3.9
266.09381	11.6
267.09860	5.2
274.03101	4.3
275.06958	5.2
276.07837	15.1
277.08585	22.2
278.09320	12.9
279.06424	4.9
279.10123	23.8
281.08170	10.5
281.11636	7.1
283.09586	15.6
291.06674	3.6
291.10043	10.2
292.06989	6.0
293.08054	15.4
294.08853	26.6
294.11655	4.6
295.09445	5.1
306.08759	7.9
307.05911	6.0
307.09579	100.0
308.10217	18.6
309.11255	18.0
310.11688	5.0
311.09305	8.3
311.12732	46.2
319.09613	10.2
321.11227	5.8
322.08463	4.6
324.09808	10.8
329.47626	3.8
337.10577	41.3
338.11288	9.6
339.12228	59.9
340.12698	6.4
341.13800	15.7
351.12112	7.1
352.12805	4.7
369.13266	40.2
383.97421	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	369.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41199	5.2
53.53048	4.5
61.64680	4.9
65.03939	39.5
67.05493	5.9
69.16733	29.1
82.04195	12.4
91.05514	6.1
93.03408	19.5
95.01320	4.2
95.04976	9.5
98.23222	21.2
101.45787	5.6
104.10166	4.2
105.07028	6.9
107.04964	9.7
110.03668	37.7
111.04443	39.7
125.05991	34.6
128.06276	5.4
131.04990	5.2
138.03064	5.8
144.05704	7.2
145.06516	10.0
153.05460	100.0
155.04950	6.2
159.08054	16.6
161.05954	5.1
165.06921	6.9
169.06522	7.3
175.07576	8.7
178.07741	10.6
179.08533	6.9
181.05046	7.9
185.05965	26.1
186.06743	7.8
187.07610	5.6
189.07014	6.8
190.07776	8.6
191.08546	11.5
193.06482	5.3
195.08054	12.3
199.07542	35.8
201.05453	8.2
202.07837	8.5
203.08536	12.8
205.06544	15.9
206.07246	13.7
207.08025	13.8
208.08870	8.6
209.09657	6.1
214.06203	8.6
215.06946	7.5
216.07820	35.7
218.07254	14.8
219.08034	35.2
220.08763	16.9
221.06003	13.2
221.09480	6.8
222.06696	8.0
229.08653	22.9
233.05978	5.5
234.06636	12.7
235.07520	33.8
236.08307	23.5
237.09048	15.8
246.06834	9.3
247.07523	19.5
248.08305	10.5
249.05533	10.0
249.09137	16.5
250.06320	4.8
251.06950	11.2
251.10677	35.9
255.10150	6.7
261.05331	5.2
261.09116	10.9
262.06274	8.1
263.07077	18.4
264.07803	45.7
265.08652	22.9
266.09482	10.4
275.06961	7.8
276.07709	14.5
277.08508	24.9
278.09393	13.8
279.06430	4.3
279.10132	27.1
281.07965	11.0
281.11588	9.6
283.09622	10.5
287.06857	4.6
291.10083	10.4
292.07385	6.1
293.08090	12.9
293.11624	4.4
294.08777	18.1
295.09470	6.5
305.08130	6.3
307.09583	81.3
307.67093	5.6
308.10263	18.9
309.11237	15.2
310.11737	5.6
311.12662	53.9
319.09662	13.0
324.10022	7.6
326.11304	8.8
335.11050	7.1
336.09747	5.7
337.10648	50.5
338.11261	10.3
339.08566	5.5
339.12350	71.0
340.12741	9.7
341.13800	21.6
351.12277	5.8
369.13406	40.7
369.18265	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	369.1331
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01898	1.7
57.03452	0.4
67.05528	0.7
69.03468	0.6
69.07088	1.0
69.34314	2.3
79.05544	1.6
81.03461	0.6
83.81559	0.5
85.02932	1.1
88.71242	0.5
91.05514	1.6
93.89725	0.5
94.92373	0.4
95.05023	0.5
95.08592	0.6
97.06522	8.2
99.04472	0.6
104.42615	0.5
105.03429	0.6
105.07046	1.2
107.05016	1.4
107.08602	0.6
115.05437	0.9
119.04987	0.5
119.08618	0.8
121.06521	0.8
121.10146	0.6
123.04453	0.9
125.06135	0.6
131.04974	1.8
133.06537	0.7
133.10196	0.8
135.08150	0.6
137.06026	0.5
145.06522	1.2
147.04485	0.5
157.06415	0.6
159.04533	0.6
159.08182	0.8
161.06078	0.8
161.09665	1.1
163.03865	0.7
165.05724	0.8
165.06955	2.7
167.08586	0.8
171.08226	0.4
173.05981	0.6
175.07579	0.7
177.05524	1.5
177.06966	1.1
178.06505	0.6
178.07715	3.1
179.08580	2.3
179.18915	0.4
181.06541	1.6
187.07545	0.5
189.05537	0.6
189.07059	2.1
190.07741	2.4
191.08522	2.9
192.05833	0.6
192.09404	0.9
193.04936	1.0
193.06546	1.1
193.10223	0.6
194.07237	4.5
195.08015	2.9
199.07613	0.9
202.07802	4.1
203.03345	0.6
203.08521	3.3
204.09425	0.5
205.06415	3.4
206.07195	2.9
207.08070	4.4
208.08868	1.6
209.05998	1.0
209.09711	1.4
211.07536	0.8
215.08633	1.0
217.06664	0.6
217.08672	0.5
218.07249	3.2
219.08090	6.8
219.10188	1.4
220.05363	0.7
220.08871	3.4
221.06001	2.2
221.09660	1.9
222.06737	4.7
223.07506	3.5
224.08374	0.6
230.07288	1.3
231.02870	0.7
231.07988	5.6
231.10124	0.7
232.08704	2.7
233.05869	2.7
233.09657	1.5
234.06708	2.5
235.07484	7.1
236.08212	2.9
237.05496	1.2
237.09076	5.8
238.06339	1.8
238.09795	0.7
239.07076	0.7
245.05846	0.8
246.06891	1.5
247.07524	6.1
248.08273	6.3
249.05482	0.7
249.09062	4.3
250.06297	3.5
250.09811	1.2
251.06985	5.0
251.10675	1.1
252.07773	2.7
258.06696	0.7
259.07635	1.0
260.08295	1.6
261.05493	1.2
261.09137	2.6
262.06201	1.1
262.09909	1.4
263.07025	3.3
263.10571	2.2
264.07791	3.3
264.10385	0.6
265.08582	12.4
266.05856	0.7
266.09344	3.5
267.09955	1.0
275.06921	1.8
276.07700	2.9
277.08508	2.9
278.05936	1.0
278.09372	1.9
279.06564	2.6
279.10178	4.5
280.07291	1.1
280.10828	1.6
281.11783	0.8
282.09021	1.3
289.10648	9.4
291.06784	0.7
291.10092	12.3
292.07465	0.8
292.10681	1.0
293.08011	5.1
294.08823	4.8
295.09589	2.2
305.08066	1.1
307.09207	4.0
308.10333	2.6
309.11166	12.3
310.11673	0.8
311.09061	1.8
311.12595	1.1
317.10208	1.8
319.09595	5.2
322.08231	1.5
323.08997	1.5
335.11206	3.9
337.10657	100.0
338.11191	12.3
339.12170	1.4
341.14072	0.7
369.13257	23.6
370.13580	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01858	1.3
57.03410	0.6
69.07050	0.5
69.34609	2.3
79.05486	0.9
83.21792	0.4
85.02882	0.6
91.05477	1.1
95.04953	0.7
95.08568	0.6
95.35423	0.4
97.05956	0.8
97.06520	8.6
105.03394	0.8
105.07034	1.1
107.04951	0.9
107.08622	0.5
115.05445	0.7
117.06960	0.6
119.04882	0.7
121.06467	0.6
123.04429	1.2
123.08092	0.5
128.06195	0.9
131.04922	2.0
133.10100	0.8
137.06024	1.0
144.05672	0.5
145.06505	1.0
147.04364	0.9
149.05975	0.5
152.06131	0.6
157.06564	0.5
159.07994	0.7
161.05966	0.9
161.09645	1.0
165.05455	0.9
165.06978	2.6
166.07721	0.9
167.08516	0.9
173.05890	0.5
175.07494	0.8
177.05435	1.6
177.06952	1.1
178.07748	3.1
179.08528	2.5
181.06502	1.3
184.54338	0.6
187.07550	0.8
189.06987	2.0
189.09077	0.6
190.07825	2.3
191.08549	3.7
192.05630	0.5
192.09244	0.7
193.04935	1.0
193.06491	0.7
194.07217	5.4
195.07956	2.0
199.07495	0.8
201.07069	0.6
201.09010	0.5
202.07745	4.7
203.03448	0.8
203.08524	3.7
204.09273	0.5
205.06474	3.7
206.07230	2.0
207.08044	4.4
208.05234	0.6
208.08867	1.2
209.05995	0.9
209.09651	2.1
210.06703	0.8
211.07542	1.3
215.08623	1.5
217.06488	0.6
217.08560	0.6
218.07210	3.2
219.08012	6.1
219.10158	1.9
220.05138	1.0
220.08801	3.6
221.05986	2.2
221.09538	1.9
222.06764	4.1
223.07460	2.7
224.08205	0.9
230.07233	1.3
231.02942	0.8
231.07985	5.5
232.08743	1.9
233.05951	2.6
233.09610	1.0
234.06706	3.0
235.07523	6.4
236.08260	2.3
237.05455	0.8
237.09059	5.2
238.06226	1.8
238.09828	1.1
239.06960	1.0
245.05962	0.6
245.07991	0.9
246.06746	1.0
247.07487	5.0
248.08244	6.6
249.05344	0.8
249.09123	4.5
250.06226	4.5
250.09776	1.3
251.07074	3.6
251.10529	1.3
252.07758	2.5
253.08556	1.1
258.06793	1.2
259.07504	1.5
260.08240	1.1
261.05615	0.9
261.09094	2.8
262.06149	1.2
262.09912	2.0
263.06946	3.0
263.10617	1.8
264.07776	3.3
264.19839	0.5
265.08563	15.3
266.05832	1.4
266.09296	3.8
267.06488	1.0
267.10107	1.1
274.05969	0.5
275.06992	2.0
276.07745	3.7
277.08423	2.4
278.05884	0.8
278.09283	1.8
279.06534	2.9
279.10123	3.9
280.07443	0.9
280.10834	1.7
281.11597	1.3
282.08902	0.9
283.09668	0.6
289.05435	0.6
289.10739	8.7
291.06796	0.8
291.10104	13.8
291.13229	1.0
291.92200	0.5
292.07208	0.7
292.10245	0.7
293.08035	6.6
294.08765	5.0
295.09705	2.8
304.07504	0.6
305.07925	1.1
307.09402	3.9
308.10391	2.6
309.11139	13.0
310.11560	1.0
311.09180	1.1
311.12720	0.7
317.10196	1.3
319.09592	6.4
320.09930	0.6
322.08237	1.9
323.09128	1.3
325.10577	0.6
327.00034	0.5
335.11288	3.4
336.09842	0.8
337.10654	100.0
338.11166	11.1
339.12122	2.0
351.12036	0.6
369.13284	23.9
370.13217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1521
Annotation	Drosopterin
Peak:m/z	Relative Intensity
54.46950	0.7
69.24851	1.3
69.25256	3.7
70.61045	0.7
78.69476	0.8
79.05476	0.8
81.07042	0.8
91.05425	1.0
92.05540	0.7
105.07036	0.8
107.08566	0.8
116.03062	0.7
116.31291	0.7
151.07388	0.7
173.34590	0.9
176.02673	0.7
185.04204	41.9
186.04601	1.3
189.08893	3.7
207.09911	100.0
208.10228	3.3
281.11963	4.9
369.15213	64.2
370.15387	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	369.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01867	2.6
55.05510	2.1
57.03420	3.3
59.04983	1.0
63.05405	1.1
67.05519	1.4
69.03426	25.2
69.76831	3.6
71.04996	9.1
73.02904	1.9
79.05487	5.5
81.03411	4.6
81.07048	3.2
83.04942	1.1
85.02901	3.9
91.05482	31.3
93.07027	12.6
95.04961	3.3
95.08631	1.1
97.02899	4.4
97.06540	1.8
99.04457	11.6
103.05470	1.4
105.07026	68.3
106.07352	1.6
107.04950	2.6
107.08596	4.6
108.11326	1.2
108.47086	1.3
109.02861	1.7
109.06512	1.8
109.10169	1.8
115.05434	3.8
117.07040	6.6
119.04863	1.1
119.08575	92.7
120.08913	2.8
121.06506	6.8
121.10154	1.6
123.08064	2.1
127.03903	2.0
128.06218	9.3
129.07031	6.4
131.04901	1.3
131.08554	5.3
133.06490	2.8
133.10121	100.0
133.72580	1.2
134.10475	3.3
135.08072	1.2
137.05962	1.6
137.09602	3.9
143.08560	19.2
145.06488	2.3
145.10146	2.2
146.07248	8.5
147.08044	46.6
159.08078	2.1
161.09613	89.2
162.09985	4.3
165.09172	1.3
166.87730	1.2
171.08005	2.8
171.50615	1.2
174.06808	1.8
177.09094	2.5
179.10655	13.8
189.09100	15.4
207.10150	94.6
208.10448	4.1
225.09061	1.3
369.15723	15.5
369.20065	2.5
369.24387	2.6
370.15872	1.9
370.22415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1882
Annotation	His Val Asn
Peak:m/z	Relative Intensity
50.85099	0.3
51.55035	0.2
55.05483	0.4
67.67902	0.2
69.03402	0.3
70.90280	0.2
79.05467	0.4
79.89832	0.3
81.07040	0.4
91.05473	0.6
97.06515	0.5
99.10028	0.3
105.06998	0.4
107.08496	0.4
136.99138	0.3
137.05989	0.3
140.97716	0.3
151.03816	0.3
153.05476	0.6
165.06891	0.3
167.06995	0.4
191.08607	0.3
199.07457	0.6
201.03690	14.2
202.07719	0.3
203.05310	0.4
216.07787	0.3
219.04739	0.3
219.07976	0.5
221.05727	0.3
231.08038	0.4
235.07462	0.5
247.07445	0.3
249.09177	0.5
251.10756	0.3
263.06921	0.3
264.07703	0.3
265.08655	0.3
276.07867	0.3
277.08575	0.4
289.10733	0.3
294.08881	0.4
307.09775	0.4
308.10471	0.3
309.11066	0.6
311.12448	0.4
335.11310	0.7
337.10620	1.7
339.12265	0.7
361.37411	0.3
369.18787	100.0
370.19128	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	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.05497	4.9
55.80695	1.8
57.03442	4.5
58.67389	2.2
61.02919	3.0
67.05488	3.2
69.03421	15.9
71.04986	3.8
73.02891	2.4
79.00583	2.8
79.05482	6.2
81.03411	7.2
81.07041	4.0
83.04961	5.6
85.02899	15.6
91.05469	12.6
93.07040	7.6
94.30868	2.4
95.04945	4.1
95.08608	4.4
97.00981	2.2
97.02872	7.9
97.06547	3.8
105.07019	10.0
106.02924	7.8
107.08572	9.4
109.02863	7.0
109.06480	3.8
109.22408	2.3
117.06982	3.4
119.04970	4.2
119.08568	14.9
121.06499	5.2
121.10114	6.1
123.08003	3.0
124.03917	8.9
127.03913	6.0
128.06206	3.0
131.04881	2.3
131.08536	4.4
133.06493	2.3
133.10124	23.9
134.10356	2.1
135.08005	5.9
137.05977	10.3
137.09576	8.4
143.08542	3.7
144.38237	2.5
145.10130	4.5
147.07994	7.4
147.11678	7.9
149.09616	12.9
151.07571	6.3
151.11214	11.2
156.09303	5.7
159.08051	15.6
161.09612	5.6
161.13246	11.8
163.07626	3.5
163.11153	13.2
171.11710	8.2
173.09621	2.2
174.10382	43.0
175.10774	2.3
177.05464	3.6
187.11119	2.9
189.12726	100.0
191.14240	16.2
201.09084	4.7
207.13782	27.9
250.07086	2.8
255.26155	2.5
268.08234	2.8
268.28137	2.2
305.85727	2.1
369.15121	47.0
369.18552	3.7
370.15173	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	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.3
56.96559	47.7
70.72118	1.6
71.95264	2.6
74.41346	1.6
83.08617	4.6
89.60342	1.5
97.96780	2.0
109.25957	1.8
110.97523	2.6
128.98569	4.8
137.02751	2.9
159.03230	2.0
171.03238	2.0
173.04845	1.9
177.60684	1.7
181.05157	2.1
185.04810	2.6
189.07918	3.0
199.06369	5.1
203.05791	2.7
211.06430	1.9
213.07967	14.4
217.07420	6.3
218.10957	1.7
221.33383	1.8
223.09988	1.8
225.07977	7.7
229.07396	5.3
231.09045	21.7
237.07936	3.0
239.09537	5.5
241.11092	12.9
243.09042	4.3
247.08424	4.3
251.09465	10.3
255.09015	6.0
257.10623	4.6
259.12155	15.4
269.10580	57.4
270.10904	3.1
273.10129	3.0
287.11685	22.9
292.12244	3.2
304.12979	1.7
315.16266	2.8
333.17328	24.0
351.18408	39.8
352.18301	2.5
369.19412	100.0
370.19589	7.3
374.19888	2.8
374.24432	1.6
387.20505	83.7
388.20691	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.05502	20.9
57.03431	6.0
66.84685	4.5
67.05504	70.9
69.07074	20.5
71.04983	5.2
71.08630	41.1
79.05489	58.7
81.03443	8.3
81.07055	69.9
83.04981	13.6
83.08624	15.6
85.06548	4.7
91.05459	34.3
93.02506	4.7
93.07048	73.4
95.04984	17.1
95.08615	41.8
97.06521	7.6
97.10159	16.7
98.23469	15.2
99.08091	34.2
105.07039	28.2
107.04956	8.7
107.08586	58.5
109.06509	8.6
109.10154	44.4
111.08078	5.0
117.06992	4.2
119.08578	23.1
121.10120	36.1
123.11715	6.8
125.09625	8.0
131.08563	9.2
133.10138	17.7
135.11662	35.9
141.09084	5.2
145.10136	9.9
147.11678	11.2
149.13203	11.2
151.11159	12.9
159.11697	9.4
161.13290	13.8
165.28761	4.6
173.13072	5.0
179.14296	100.0
180.14658	6.5
185.13301	5.7
189.11281	8.5
213.16429	5.1
221.15390	5.1
227.12888	6.1
259.20602	13.9
277.21588	54.4
351.25281	56.9
369.20099	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.6
55.05499	40.0
57.03435	44.2
57.07060	5.2
60.26978	4.4
67.05495	83.6
69.07050	22.5
71.41460	6.5
79.05482	67.7
81.03413	6.3
81.07050	100.0
83.04979	8.1
83.08614	18.2
85.06528	8.4
91.05468	49.0
93.07034	86.4
95.04958	14.8
95.08589	78.6
97.06525	16.2
97.10144	10.9
99.08057	10.4
105.07023	46.0
107.08603	65.0
109.06483	7.9
109.10149	38.5
111.08074	7.1
117.07007	16.5
119.08576	41.8
121.10131	47.0
123.08038	12.5
123.11710	8.6
125.09610	13.0
131.08530	27.3
133.10094	40.8
135.11673	39.1
139.47696	5.1
143.08571	6.7
145.10118	28.4
147.11658	28.3
149.13231	21.7
151.11203	8.4
157.10045	8.0
159.11691	23.3
161.09636	5.7
161.13271	12.3
163.11145	8.4
163.14781	9.1
165.12727	6.0
171.11685	12.3
173.13232	15.0
175.14825	12.7
187.14781	34.6
189.12627	5.9
193.04921	6.7
201.16228	5.8
205.15860	15.8
205.41086	5.7
221.18964	14.1
241.19522	10.5
259.20636	25.5
269.16870	6.1
277.21585	56.6
292.39212	5.8
339.91220	6.8
351.25455	33.4
368.42624	7.3
369.31689	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	370.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31070	2.7
55.01860	3.9
55.05513	4.0
57.03428	5.6
61.73074	2.8
66.87893	2.9
67.05481	3.5
69.03425	4.1
69.07064	9.2
69.08376	6.0
69.08781	15.1
79.05505	8.1
81.03422	6.9
81.07039	3.7
85.02901	5.4
91.05458	5.5
93.07055	4.9
97.06519	8.4
98.22720	7.8
103.05452	5.4
105.07007	8.6
115.07558	8.9
117.06996	3.3
121.10117	6.2
123.04432	8.7
123.08019	9.1
129.07018	3.9
131.04900	9.6
131.08521	3.2
137.05969	3.6
141.07016	4.1
143.08470	4.6
145.06471	5.1
145.10052	8.1
147.04382	4.1
149.05972	8.1
149.09596	19.9
149.13254	2.9
151.03912	9.5
153.06958	5.6
155.08527	9.0
157.10048	3.7
159.08102	7.6
160.05118	4.1
161.05991	7.0
161.09584	3.5
163.07553	4.0
163.11201	5.7
165.07060	6.9
166.07803	7.2
167.08597	3.4
169.06517	4.4
169.10092	9.0
171.08081	5.6
173.05951	12.8
173.09650	10.5
175.03917	5.7
175.07544	47.0
176.04727	3.8
177.05426	9.6
178.07741	3.6
179.08524	18.3
181.06511	7.4
181.10085	9.2
183.08025	11.6
184.05173	3.5
185.06041	3.7
185.09650	4.6
187.07521	34.7
189.05388	5.2
189.09055	14.0
191.08516	3.2
193.04967	17.0
193.06462	3.9
194.07274	11.0
195.07990	4.2
197.05962	11.6
197.09561	24.6
199.07500	17.9
200.08237	8.6
201.05559	3.6
201.09093	80.1
207.08017	17.5
209.09569	23.1
209.15292	3.2
210.06752	12.9
211.07549	38.5
212.08194	7.8
213.09077	3.9
214.06129	3.4
215.10675	24.0
217.08580	7.9
219.10165	5.5
221.04407	5.6
225.05585	7.5
225.09074	100.0
226.09361	6.8
227.06992	7.3
227.10669	6.7
229.04926	3.1
229.08565	39.5
231.13712	4.8
235.07547	9.6
237.09071	15.7
239.07091	5.9
243.10181	21.5
245.08087	28.9
245.11755	4.4
253.08568	67.0
254.09302	15.7
255.06378	3.5
255.10098	12.1
256.56323	3.2
257.08011	6.6
261.11206	4.2
261.51932	3.5
263.09164	8.6
271.09637	92.2
273.07584	12.2
281.08066	42.9
289.10669	43.1
291.08643	18.4
296.55231	3.3
299.09146	58.8
300.09421	4.1
307.11716	4.5
309.09705	3.6
315.13135	3.3
317.10178	22.6
335.11145	23.4
336.11554	3.8
338.10693	4.0
371.14557	5.4
371.21893	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	370.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49865	6.0
69.24075	44.6
69.63425	6.3
86.36310	7.2
95.17149	5.7
97.06496	11.2
115.07548	6.6
177.05498	11.9
179.08496	14.3
187.07571	29.5
189.09056	8.9
193.04956	18.7
197.06015	8.5
197.09621	14.1
199.07407	12.8
200.08325	9.3
201.09116	72.6
201.61845	8.0
207.08060	14.3
209.09602	21.5
210.06790	7.9
211.07474	32.1
215.10689	31.9
219.10078	9.8
221.04477	7.8
225.09074	100.0
227.06935	8.3
229.08530	35.9
237.09065	11.3
239.06999	7.3
243.10162	29.0
245.08115	18.5
253.08609	43.1
253.10872	8.2
254.09264	17.0
257.08282	9.7
271.09589	66.1
281.08121	33.8
289.10727	31.1
299.09152	49.7
307.11768	15.4
317.10260	17.5
335.11322	19.1
361.99091	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	370.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60770	0.7
55.01854	1.0
62.24583	0.8
67.05499	1.0
68.03791	0.8
69.07075	3.1
69.32883	3.4
69.33287	1.8
74.71320	0.8
79.05474	6.5
81.03416	1.9
81.07050	5.0
83.04996	1.3
91.05476	1.7
95.04945	1.7
97.06522	5.0
98.22642	1.2
104.06247	0.9
106.04176	1.5
107.04955	1.4
123.04436	3.6
131.04950	4.3
132.05692	1.4
134.03621	2.1
145.06425	2.5
147.04453	4.2
149.06033	1.0
151.03947	2.0
159.04422	2.2
159.08095	1.3
160.05235	2.2
161.05902	1.8
163.03871	4.4
173.06024	1.4
175.03908	2.6
177.05475	5.4
185.06064	1.2
189.05476	13.7
191.03348	2.5
193.04964	1.2
201.09097	10.5
202.09868	13.2
203.07034	11.7
203.10661	5.2
203.88199	0.8
221.04413	1.4
225.09123	1.3
229.08542	2.0
231.06525	2.9
231.10144	7.9
233.04436	1.3
245.11693	24.3
255.10229	4.3
267.05045	3.7
271.09647	5.9
273.11166	2.2
275.09076	12.9
281.08145	1.4
289.10675	11.3
293.06506	2.1
299.09052	11.1
317.10144	14.2
335.11209	100.0
336.11572	6.8
352.60455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00632	3.3
55.01495	3.2
57.03429	9.6
57.07070	73.1
69.73836	12.8
70.06586	7.5
70.96585	3.9
73.02893	3.6
85.02889	10.0
85.06535	85.5
95.01311	5.2
98.22890	8.9
98.23465	4.4
103.07580	9.5
122.02760	4.6
129.05466	4.1
141.01845	19.2
147.04420	3.9
147.08017	3.5
159.10156	100.0
177.05496	3.5
177.11203	68.4
208.09731	4.2
217.08542	4.0
235.44527	3.6
293.11633	6.5
370.15469	12.1
371.16711	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
58.04906	0.4
69.03411	1.0
70.47684	0.5
70.77504	0.8
71.09115	0.5
72.04500	2.1
79.05473	1.2
81.03406	0.8
85.02903	2.9
89.03911	3.2
91.05477	5.1
91.20215	0.5
97.02914	0.8
99.04472	0.7
100.07629	2.3
105.03390	2.0
107.04929	1.7
109.78861	0.4
115.05553	0.5
119.04937	12.8
120.05240	0.6
123.08073	0.7
131.04900	0.9
135.04404	52.7
136.04785	1.4
143.20705	0.5
149.06007	0.5
160.64442	0.5
169.10101	0.5
173.05898	0.8
175.07536	4.3
178.12242	0.7
179.08607	1.1
184.71770	0.5
185.09616	0.6
187.07504	1.1
193.04991	0.7
197.09604	0.6
199.07410	0.5
200.08240	0.6
201.09114	4.2
203.07028	0.5
207.08020	1.1
208.13309	100.0
209.09474	0.8
209.13663	4.1
211.07506	1.9
215.10641	1.6
217.08589	0.5
219.10176	0.5
224.16458	0.5
225.09048	3.9
229.08607	2.7
237.09024	0.8
243.10063	1.3
245.08089	2.1
253.08554	2.4
255.10294	0.5
263.09116	0.8
271.09607	1.7
273.07584	1.5
281.08023	0.9
289.10565	3.0
291.08597	1.5
299.09296	2.5
317.10114	1.2
335.11157	2.2
335.67081	0.6
362.07516	0.5
371.13074	1.6
371.22290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72593	12.4
98.23153	18.4
181.33266	9.9
194.37248	12.0
371.07257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87504	16.6
53.18341	15.9
56.96557	25.9
57.40338	17.0
69.03431	42.4
69.42924	76.5
71.29617	14.5
80.75623	15.2
85.02890	52.6
97.02857	21.3
98.23456	36.9
98.97584	66.3
116.98626	18.5
118.03510	35.2
131.01941	16.7
145.30307	18.0
158.99699	24.2
159.06088	20.7
161.02829	20.8
161.07683	28.5
181.54848	17.1
187.05629	58.2
200.04437	23.6
205.06633	38.1
229.06622	31.5
239.08768	22.2
256.96127	26.1
285.09253	26.9
294.91632	22.9
307.57800	16.5
313.13995	18.9
371.07172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19384	1.0
55.05501	1.2
60.08160	3.9
69.03426	5.5
70.06583	2.6
73.04745	1.5
81.03422	4.6
84.03006	5.4
84.04499	3.5
91.05802	5.3
95.06083	16.8
97.74490	1.1
98.23052	2.0
99.04478	3.0
100.02475	9.2
102.04042	21.3
106.05567	1.0
111.10286	1.0
114.04068	1.9
118.03507	35.2
119.01894	1.5
119.03609	1.4
120.05064	6.3
122.89652	1.1
123.04024	1.7
126.03993	2.1
129.05499	1.8
130.03506	3.7
132.05066	4.1
136.04556	28.2
137.04617	1.2
141.05086	21.9
142.03502	3.6
143.06651	27.4
143.07797	1.4
144.05043	7.5
148.04507	1.4
150.06129	4.5
154.13333	7.7
157.03546	1.3
159.06155	32.3
160.04526	4.2
160.06311	1.5
161.07706	53.7
162.06235	2.7
162.07867	2.5
162.69568	1.2
168.42288	1.2
169.04631	4.0
171.10893	2.0
173.07620	1.7
175.11923	1.9
177.00882	1.6
179.09056	1.7
183.06113	1.6
184.04559	12.7
187.05632	100.0
188.05827	5.0
189.11958	1.6
196.04471	1.4
196.08069	1.3
197.10124	4.6
198.06216	1.3
198.12352	15.5
202.05600	8.5
205.06691	82.7
206.06691	6.5
211.05714	2.2
214.05565	2.2
215.09912	1.2
221.07736	1.6
222.10970	1.2
223.09232	2.8
224.07690	2.9
229.06691	41.1
230.06964	2.8
239.08734	24.9
239.43610	1.2
240.07118	1.5
240.12119	1.5
248.06216	2.2
249.07301	1.2
251.13495	3.3
257.09805	5.2
267.08240	37.9
268.08502	4.2
269.14548	12.4
285.00946	2.4
285.09305	47.7
286.09412	3.3
294.13867	1.6
311.16803	5.0
327.10251	1.8
345.45633	1.2
353.18927	2.2
355.07013	1.4
371.20001	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	371.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	45.8
55.05509	9.6
55.12848	3.5
65.03935	6.4
67.05482	4.2
68.00041	4.2
69.03443	3.9
69.65523	8.0
69.65909	8.9
79.05499	4.4
81.07050	9.0
91.05465	4.5
93.03421	7.4
93.07053	7.6
93.60570	3.7
95.04951	5.7
96.02103	8.4
98.22756	8.9
98.23366	9.3
100.11269	7.0
101.06010	4.7
102.12817	5.4
105.07013	4.3
107.04934	7.2
111.04439	27.4
115.05438	6.9
121.06528	5.0
128.06264	4.8
131.04910	6.0
133.06454	12.4
133.91563	4.5
137.05920	5.7
139.03902	10.3
139.05453	4.0
142.12193	5.5
145.06500	10.7
147.06549	5.3
147.08046	5.7
155.04877	3.7
161.05974	13.5
165.07005	18.0
167.03380	11.9
167.07065	17.7
172.05251	6.8
173.05952	12.5
174.06688	7.6
175.07545	8.4
177.07011	4.7
178.07790	15.4
179.08609	4.7
181.06458	11.9
184.05185	4.3
184.16936	15.2
185.05980	7.9
187.03957	4.9
187.07556	8.9
189.05464	23.5
189.06937	6.3
191.08604	6.0
193.06367	10.1
194.07285	11.3
195.08099	8.4
199.07574	6.0
201.05411	19.8
202.06221	9.3
203.06989	6.0
205.06459	17.4
206.07236	7.7
207.08072	10.6
209.06012	13.3
210.06784	14.7
211.07547	7.7
212.16502	11.2
215.07001	9.4
218.07341	5.4
219.08026	8.2
220.05296	9.6
221.05870	22.0
222.06743	13.3
223.07495	9.7
224.08249	6.6
225.09041	8.9
227.07031	11.3
233.05966	11.6
234.06767	14.4
235.07501	25.5
236.08223	6.2
237.05429	11.7
237.09059	16.8
238.06233	10.9
239.06998	15.1
240.07803	6.1
241.08527	12.2
246.06505	4.2
247.07390	8.5
248.08319	5.6
249.05493	22.4
249.09193	12.5
250.06223	11.0
251.06993	18.1
252.07793	16.2
253.04955	6.7
253.08542	28.4
255.06461	11.3
262.06223	10.1
263.07123	39.7
264.07599	8.6
265.04956	20.1
265.08554	39.6
266.05841	7.8
266.09323	7.1
267.06476	15.8
267.10043	8.6
269.08081	9.9
276.07785	5.6
277.05429	4.5
277.08527	25.3
278.05630	10.2
278.08795	5.4
279.06522	17.8
279.10086	11.9
280.07309	33.7
281.08054	35.3
282.08600	5.3
283.06091	9.0
283.09369	5.8
285.11050	5.2
291.06482	7.7
292.07254	4.9
293.08051	66.7
293.11182	8.2
294.08749	14.3
295.06570	5.5
295.09595	27.8
296.10297	6.6
297.07654	9.7
297.10962	5.1
305.08051	9.7
307.05960	10.3
307.09613	11.7
308.06720	16.5
309.07532	30.5
310.08292	8.0
313.10641	21.3
321.07584	11.0
321.10883	4.8
322.08356	48.1
323.09100	91.7
324.09625	7.8
325.10696	15.5
339.08618	7.8
339.12204	32.3
340.09317	12.2
341.10141	100.0
353.09985	19.6
370.30505	8.2
371.14914	19.8
387.94156	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	371.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01619	2.5
55.01867	39.1
56.02185	1.4
65.03944	9.1
68.99789	1.3
73.44418	1.3
79.05484	2.6
81.03407	2.0
83.04967	2.9
83.92464	1.4
85.02861	1.9
91.05466	3.7
93.03384	5.2
95.04953	5.3
96.02081	6.1
101.06014	2.3
103.05439	3.1
105.07034	4.7
107.04935	2.9
111.04420	19.2
115.05437	7.6
117.07041	1.9
123.04453	2.2
127.17795	1.4
127.79826	1.5
128.06207	2.3
129.05446	1.9
131.04893	5.9
133.06467	5.5
137.02335	2.5
137.05959	4.8
139.03874	8.6
144.05676	3.2
145.06433	7.9
147.04388	1.9
147.06541	2.3
147.07967	1.8
151.03873	6.7
152.06158	2.5
153.06915	4.2
157.06448	2.0
159.08012	2.0
161.05943	9.9
165.01781	3.5
165.05646	2.2
165.06972	16.4
166.07704	5.1
167.03409	10.4
167.07031	5.7
167.08528	4.1
168.05684	4.0
169.06465	1.8
170.03490	2.0
171.04388	1.7
171.08014	1.6
172.05040	2.1
173.05968	9.6
174.06723	8.1
175.07500	5.7
176.06151	2.3
177.05458	2.0
177.06979	4.1
178.07690	8.5
179.08498	6.4
181.06421	14.7
182.07231	5.6
183.04324	2.5
183.08047	4.2
185.05922	4.9
187.07582	4.4
189.05434	18.1
189.06937	2.8
190.07747	3.6
191.06937	1.8
191.08540	1.7
192.05626	4.1
193.06458	8.4
194.07245	11.9
195.07968	5.8
197.05910	2.9
197.09654	3.3
198.06709	2.9
199.07527	5.8
201.05429	14.2
202.06184	5.6
203.06987	4.1
203.08638	1.9
205.06462	15.7
206.07196	8.1
207.08020	7.6
208.08742	2.0
209.05876	13.2
210.06732	9.9
211.07544	8.3
213.09007	2.6
215.07010	8.7
215.08795	1.8
216.07460	1.6
217.06491	2.6
217.08582	2.5
218.07301	3.2
219.08046	6.2
220.05154	8.8
221.05927	22.2
221.09470	2.9
222.06714	13.2
223.07440	10.9
224.08263	7.2
225.09038	8.8
226.06116	2.7
227.06972	8.9
231.08037	1.7
232.05171	2.4
233.05969	8.1
233.07877	1.9
234.06729	9.9
235.07486	18.5
236.08197	5.5
237.05420	11.0
237.09012	12.0
238.06148	7.8
239.06956	10.1
240.07756	2.0
241.08537	5.4
243.06412	4.1
243.10114	1.8
246.06468	1.8
247.07451	4.4
248.04619	5.2
248.08247	2.6
249.05453	14.5
249.09019	6.4
250.06204	13.6
251.06966	13.6
252.07726	11.0
253.08588	30.7
254.09027	3.0
255.06400	9.3
256.07245	3.9
257.11652	1.7
261.05389	4.3
262.06158	5.7
263.06998	32.0
264.07721	8.5
265.05362	12.6
265.08524	25.0
266.05643	6.9
266.09174	3.9
267.06583	10.6
267.10016	6.4
268.07187	4.4
269.08066	5.5
270.08795	3.1
272.98880	1.7
275.07004	4.7
276.07785	4.2
277.04922	6.9
277.08521	16.9
278.05667	11.8
278.08551	2.9
279.06406	15.2
279.09479	2.5
280.07205	19.3
281.08008	27.4
282.05222	3.2
282.08688	5.7
283.05960	7.3
283.09473	4.5
285.11267	4.9
287.09088	3.0
291.06323	6.2
292.07089	10.5
292.10025	1.8
293.04730	3.0
293.08011	52.0
293.10916	2.0
294.05264	1.7
294.08560	6.2
295.06235	1.9
295.09509	22.6
296.10007	1.7
297.07523	9.2
297.10791	2.8
298.08194	6.1
305.08060	7.5
306.08539	1.8
307.05865	5.1
307.09491	5.6
308.06845	11.5
308.09842	2.8
309.07520	28.7
309.10962	1.1
310.08051	9.0
311.08768	3.1
313.10611	19.6
321.07440	9.7
321.10773	1.7
322.08313	45.6
323.09064	86.4
324.09436	7.6
325.06976	3.0
325.10440	14.0
326.07639	2.5
326.11011	2.0
335.09036	4.5
339.08023	2.8
339.11896	6.6
340.09265	11.5
341.10135	100.0
342.10635	7.7
353.09979	22.1
354.10275	2.1
371.10620	3.4
371.15262	7.2
371.21945	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
57.07072	1.4
59.47906	1.0
61.02480	1.0
64.39182	1.0
67.05493	3.6
69.03415	2.7
69.07048	2.1
69.48979	3.2
71.04983	2.2
79.05476	3.8
81.03426	2.6
81.07059	6.4
83.04994	2.2
85.02916	1.2
91.05463	5.9
93.07020	11.1
95.04956	4.7
95.08598	2.2
97.02918	1.7
97.06536	1.3
98.97583	1.9
105.07024	7.3
107.04940	3.2
107.08586	3.8
109.02895	1.9
109.06508	9.0
109.10103	1.9
111.04481	1.3
111.08100	1.1
117.07037	2.0
119.04967	1.4
119.08590	5.1
121.06479	6.0
121.10171	3.4
123.08057	53.7
125.09621	1.8
128.06223	1.8
129.06970	1.7
131.08568	4.8
133.10069	2.3
135.08049	4.3
137.05934	5.7
137.09630	3.8
143.08582	3.3
143.95905	1.1
145.06523	1.9
145.10110	4.8
147.04407	1.5
147.08031	5.6
149.05890	1.2
149.09567	5.2
155.08536	1.6
156.05678	1.4
157.10168	3.3
159.08009	4.4
159.11685	2.3
161.05885	1.6
161.09616	5.0
163.07556	1.4
163.11169	3.4
167.07063	2.2
167.08495	1.7
167.10684	1.5
169.10115	2.1
173.09618	5.9
173.13249	1.5
174.10393	2.6
175.07529	3.3
176.07841	2.3
177.05498	1.7
179.08633	1.1
181.10194	1.4
182.10895	2.4
183.11646	1.8
185.09602	2.6
186.10429	1.1
187.11157	2.1
189.09116	1.5
191.10542	2.2
191.14316	1.4
197.13199	2.7
199.11203	1.7
201.12671	3.3
209.15396	1.4
211.11150	1.2
215.10587	1.1
215.14304	15.3
217.08542	3.9
219.10028	1.4
226.09424	1.7
230.08873	2.7
231.13753	1.9
243.13698	2.0
247.13298	3.0
249.09019	1.8
249.14906	2.0
272.09967	2.0
290.11005	3.0
293.11490	1.5
295.09598	1.3
300.09567	1.6
321.11270	2.1
326.11295	1.8
335.19968	3.1
336.11389	1.2
339.12299	3.7
353.13815	1.7
353.20984	4.7
371.16681	36.5
371.22116	100.0
372.17642	2.1
372.22473	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
50.55958	0.8
52.02103	0.7
52.40134	0.6
54.22948	0.7
70.33239	0.7
79.05414	1.5
82.02928	0.7
91.05360	1.2
93.06923	1.1
94.41811	0.6
97.06403	6.3
97.89545	0.7
98.06736	4.0
98.22690	1.7
105.06953	1.0
107.04837	1.3
111.26523	0.8
115.05299	0.8
119.04816	0.9
119.08492	0.8
127.85078	0.7
131.04848	1.5
137.05908	1.3
145.06360	0.9
147.04320	0.9
165.06856	2.0
166.07668	1.4
167.06914	1.7
167.08287	1.1
175.07367	1.0
178.07616	2.0
179.08417	1.6
181.06345	2.0
188.96196	0.8
189.06903	1.4
189.08858	1.3
193.06416	1.0
194.07112	2.6
195.07956	1.3
196.08644	0.9
202.07770	0.8
203.08360	1.3
204.03593	0.8
205.06348	2.9
206.07097	2.7
207.07970	1.9
208.08711	0.8
209.05873	1.0
209.09454	1.4
215.08510	1.1
217.08398	0.8
218.07138	1.8
219.07884	2.3
219.10045	0.9
220.08536	0.9
220.10452	1.3
221.05978	3.6
222.06776	4.3
223.07364	2.9
223.10934	0.8
224.08154	3.2
231.07939	1.1
232.08731	1.1
233.05925	0.8
233.09509	2.6
234.06757	4.3
234.10330	1.4
235.07533	5.8
236.08350	5.0
237.05370	2.6
237.09026	3.6
239.07054	0.7
245.08015	0.7
246.08443	0.8
247.07428	2.0
248.08336	1.7
249.05220	1.4
249.09099	13.6
250.06166	3.0
250.09697	4.4
251.06972	4.6
251.10147	0.8
252.07799	13.2
253.08434	3.4
260.08221	0.9
261.08997	2.4
263.06879	1.9
264.07751	4.9
265.04919	2.2
265.08539	17.7
266.09308	11.8
267.09918	2.5
269.07968	1.0
270.18680	1.0
277.08612	4.6
278.09247	3.3
279.06653	1.6
279.09906	1.2
280.07260	10.6
280.10495	1.3
281.08090	4.2
281.10651	0.7
283.13193	0.9
290.11014	8.3
293.07996	3.1
293.11621	12.7
294.08725	2.0
294.11984	1.6
295.09601	3.6
296.10394	11.7
297.10733	1.0
300.09912	0.8
308.12000	1.3
309.11111	2.6
310.12036	1.3
311.12674	9.5
313.10629	1.6
321.11227	7.2
324.09830	1.8
325.10648	1.1
327.12228	1.0
336.11453	3.4
339.12222	100.0
340.12698	11.2
353.13751	1.0
371.14868	35.4
372.15192	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
52.30290	0.3
55.01883	0.3
58.38170	0.3
59.74407	0.3
91.05489	0.9
93.07047	0.3
98.22699	0.6
98.23386	0.9
105.07023	0.3
107.04967	1.1
115.05462	0.7
119.04945	0.8
121.06548	0.6
123.08098	0.4
129.07063	0.4
131.04875	1.5
132.05734	0.3
144.05701	0.4
145.06512	0.8
146.07272	0.5
147.04433	0.8
147.08156	0.3
152.06177	0.3
153.06995	0.5
159.04379	0.3
159.08102	0.5
165.06972	2.0
166.07799	1.2
167.07085	0.3
167.08484	0.5
169.06458	0.3
171.07959	0.3
175.07558	0.7
176.06192	0.3
177.07059	0.5
178.07765	2.8
179.08502	1.5
180.09106	0.3
181.06464	2.2
182.07271	0.6
189.07022	1.2
190.07744	1.4
191.08585	1.3
192.05789	0.3
193.06468	1.3
194.07225	3.8
195.08018	1.8
196.08791	0.9
197.05983	0.4
197.09685	0.3
202.07776	0.5
203.08560	0.9
205.06439	1.4
205.10083	0.4
206.07253	2.9
207.08009	3.9
208.08789	1.1
209.05940	2.0
209.09468	1.4
210.06688	0.3
211.07539	0.5
215.08533	1.3
217.06439	0.4
218.07249	2.3
219.08034	2.0
219.10057	0.5
220.05235	0.5
220.08824	0.9
221.05957	3.7
221.09579	1.1
222.06729	5.1
222.10364	0.9
223.07487	4.1
224.08261	2.9
225.09068	0.6
231.08047	1.4
232.08722	1.3
233.05949	1.1
233.09485	1.4
234.06717	4.3
234.10304	1.3
235.07506	5.5
236.08272	5.0
237.05466	2.9
237.09009	3.5
238.06187	0.8
238.09839	0.7
239.06955	0.7
239.10617	0.7
240.07877	0.4
241.08578	0.4
246.06761	0.5
247.07489	1.5
247.11165	0.4
248.08295	1.7
249.05472	1.4
249.09067	14.0
250.06227	3.5
250.09853	3.5
251.07002	4.5
251.09866	0.5
252.07777	11.9
253.08484	3.2
254.09016	0.4
259.07492	0.3
260.08264	0.9
261.09137	1.3
262.06238	0.4
262.09842	0.6
262.88809	0.3
263.07031	2.5
263.10577	0.6
264.07755	4.2
265.05014	2.3
265.08560	17.1
265.12021	0.9
266.06119	0.7
266.09290	11.4
267.06494	0.5
267.10052	1.9
269.08008	0.5
275.07251	0.3
275.10602	1.0
277.08539	3.7
278.06018	0.6
278.09299	2.2
279.06415	1.0
279.09964	0.8
280.07275	11.6
280.10693	1.1
281.07983	5.7
281.11176	0.5
282.08649	0.6
283.09662	0.4
283.13330	0.3
285.10883	0.3
290.08948	0.3
291.06512	0.7
292.07156	0.4
292.10901	0.7
293.08078	2.4
293.11697	10.2
294.08771	1.9
294.12164	1.0
295.09567	4.1
296.10382	8.3
297.10962	1.2
303.10605	0.3
306.08942	0.6
307.09534	0.5
309.11163	2.2
310.11923	1.4
311.09531	0.3
311.12735	8.2
312.09824	0.7
312.13132	0.5
313.10638	1.0
321.11194	5.1
322.11469	0.6
324.09924	1.6
325.10535	1.0
327.12198	0.6
328.40060	0.3
339.12225	100.0
340.12695	13.0
341.13400	0.6
353.13803	0.4
356.12494	0.7
371.14841	32.2
372.15100	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1487
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
52.57584	0.2
55.01863	0.3
57.35691	0.2
58.04948	0.2
67.05496	0.3
67.58514	0.2
69.94102	0.2
79.05487	0.6
84.21982	0.2
90.59609	0.2
91.05477	0.9
94.12707	0.2
95.08594	0.3
98.22704	1.0
103.05472	0.5
105.07047	0.4
107.04941	1.0
107.08576	0.4
109.06550	0.3
111.04407	0.3
115.05491	0.3
117.07033	0.3
119.04955	0.7
121.06496	1.0
123.08023	0.3
129.07051	0.4
131.04915	1.5
132.05653	0.5
135.04440	0.5
137.05969	0.6
145.06473	1.1
147.04411	0.9
149.05959	0.4
152.06168	0.4
153.01823	0.9
153.06926	0.6
157.06503	0.3
159.04449	0.3
159.08000	0.9
161.05882	0.4
161.22331	0.3
165.06975	2.0
166.07703	1.4
167.07054	0.4
167.08524	0.8
173.05971	0.3
175.07481	0.9
177.05510	0.4
177.06941	0.4
178.07735	3.4
179.08490	1.5
181.06451	2.1
182.07170	0.4
183.08078	0.3
189.06886	1.5
190.07770	1.5
191.08594	1.4
192.05652	0.5
193.06523	1.4
193.10237	0.3
194.07260	3.5
195.08057	2.0
196.08833	0.7
197.05959	0.4
202.07776	0.7
203.08554	1.0
205.06496	2.3
205.10083	0.7
206.07266	3.8
207.08006	4.1
208.04951	0.3
208.08751	1.1
209.05927	2.3
209.09573	1.4
209.15637	0.3
210.06696	0.9
211.07507	0.9
215.08498	1.5
217.06569	0.4
218.07272	2.1
219.08083	2.3
219.10019	0.5
220.05197	0.4
220.08736	0.6
221.05988	3.3
221.09494	1.3
222.06720	6.2
222.10175	0.4
223.07458	3.1
223.11064	0.3
224.08290	3.7
225.05490	0.4
225.09056	1.1
228.77339	0.3
229.01692	0.3
231.08023	1.2
232.08807	1.8
233.05904	1.1
233.09517	2.0
234.06697	5.0
234.10434	1.0
235.07491	6.2
236.08282	5.0
237.05475	3.1
237.09039	3.6
238.06252	0.9
238.09709	0.7
239.07050	0.9
239.10605	0.8
240.07617	0.6
241.08368	0.4
243.07988	0.3
244.08752	0.3
247.07495	1.2
248.08350	1.6
249.05453	1.3
249.09067	15.2
250.06252	4.1
250.09761	3.6
251.06992	4.4
251.10533	0.5
252.07765	12.2
253.08479	3.4
260.08316	1.0
261.09061	1.4
262.06229	0.6
262.09778	0.5
263.06979	3.6
263.10022	0.3
263.10880	0.3
264.07803	5.1
264.10870	0.4
265.05014	2.4
265.08560	19.4
265.11914	1.0
266.09305	11.8
266.12204	0.6
267.06564	0.6
267.10001	2.1
269.08060	0.7
275.10635	0.8
276.07837	0.3
277.08551	4.6
278.06088	0.4
278.09293	3.2
279.06473	1.5
279.10043	1.0
280.07275	12.3
280.10745	1.3
281.08057	6.0
281.11273	0.4
282.08646	0.8
283.09875	0.5
283.13245	0.7
285.11349	0.3
291.10159	0.5
292.07275	0.5
292.10767	0.8
293.08063	2.5
293.11697	11.1
294.08746	1.8
294.12109	0.7
295.09607	5.2
296.10355	10.5
297.10931	1.4
303.10165	0.4
307.09506	0.4
309.11133	2.5
310.11844	1.4
311.09509	0.4
311.12704	10.3
311.16333	0.5
312.09726	0.7
312.13089	0.8
313.10602	1.0
321.11154	6.4
322.11685	0.5
324.09805	2.0
325.10635	0.9
327.12100	0.9
338.11401	0.5
339.12225	100.0
340.12692	10.5
341.09933	0.4
353.13809	0.8
353.20987	0.3
356.12518	0.4
371.14838	34.1
372.15070	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
65.75481	0.7
69.63286	0.9
69.63628	2.4
91.05460	0.8
94.36814	0.7
95.20054	0.6
98.22762	0.9
104.28118	0.7
107.04937	1.5
117.07004	0.7
119.04925	0.9
131.04927	1.3
137.05913	0.8
143.24939	0.8
145.06412	0.9
151.37329	0.8
153.06921	0.7
159.08101	1.3
161.06094	0.9
165.06999	3.1
166.07750	1.1
175.07417	0.8
178.07777	3.3
179.08524	2.0
181.06464	3.2
190.07782	2.0
191.08521	1.3
193.06491	1.5
194.07190	4.5
195.08012	3.0
196.08829	1.1
202.07791	0.7
203.08525	1.7
204.09444	0.7
205.06467	2.2
206.07281	4.5
207.08009	4.3
208.08774	1.0
209.05951	2.2
209.09575	1.7
215.08516	2.3
218.07249	2.3
219.08005	3.3
220.08640	0.8
221.06000	4.5
221.09525	1.4
222.06764	6.4
222.10393	0.8
223.07526	3.6
224.08377	4.3
225.09015	1.7
231.08020	0.9
232.08749	2.1
233.05930	1.0
233.09587	2.1
234.06789	4.6
234.10323	1.4
235.07529	9.0
236.08266	5.3
237.05368	3.1
237.09076	3.1
238.06163	1.1
238.09711	1.5
239.07127	0.9
239.10556	1.0
247.07555	2.8
248.08296	1.9
249.05412	1.1
249.06390	1.1
249.09084	17.6
250.06329	4.5
250.09792	4.8
251.07036	5.9
251.10837	0.9
252.07809	14.3
253.08464	4.2
260.08221	0.9
261.09085	3.3
263.07001	4.0
263.10278	0.6
264.07788	7.1
265.05075	3.3
265.08569	23.7
265.11670	1.2
266.09317	14.0
267.06647	0.7
267.10007	1.9
277.08655	5.6
278.09317	2.3
279.06512	1.9
279.10126	0.8
280.07318	14.8
280.10730	2.2
281.08115	5.8
281.10913	1.1
283.13541	1.0
285.10974	0.9
293.08054	2.5
293.11703	13.5
294.08685	2.0
294.11951	1.4
295.09595	6.0
296.10394	12.7
297.10904	1.0
309.07492	0.7
309.11160	2.1
310.11880	1.7
311.09277	1.6
311.12750	9.8
312.09912	1.7
313.10715	1.8
321.11087	6.2
324.09866	1.5
325.10605	1.5
327.12091	1.8
339.12256	100.0
340.12698	11.3
371.14856	33.5
371.21982	0.9
372.15341	2.5
386.61182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Fragransol D
Peak:m/z	Relative Intensity
54.78683	1.8
55.01851	9.5
65.03915	2.7
65.39429	1.8
69.07397	2.7
69.07799	12.4
79.05470	7.6
81.07047	2.3
83.04980	2.2
91.05435	9.4
91.85706	1.9
94.04166	4.7
95.04929	3.7
103.05442	3.2
105.07014	2.6
107.04925	14.8
109.06477	3.3
111.04410	3.7
115.05438	6.9
116.06242	3.8
117.06991	3.4
119.04974	3.6
122.03632	8.3
123.04406	4.4
124.05150	3.0
124.95696	1.8
128.06187	6.0
129.06969	11.9
131.04907	9.4
131.08513	10.7
133.02811	3.5
133.06419	2.9
137.05949	100.0
139.03873	3.8
141.06963	4.1
144.05635	9.2
145.06436	7.4
145.07660	1.8
151.03867	7.2
151.07474	4.5
153.05421	2.8
156.05653	18.8
157.06422	5.9
158.07227	3.6
159.08046	18.6
160.05133	2.3
161.05917	6.4
163.03960	2.3
165.06938	3.1
166.05017	2.2
166.07626	1.9
167.03394	3.1
167.07024	38.5
167.08430	2.3
169.06424	5.4
172.05226	3.2
173.05930	5.9
174.06714	4.1
175.07480	11.5
177.05411	6.1
178.07686	3.1
181.04951	3.7
181.06490	5.3
182.07152	2.4
184.05171	4.1
186.06651	4.0
187.07489	19.1
189.05443	4.3
189.06941	3.5
189.09073	8.4
190.07709	5.2
191.08536	2.3
193.06448	2.9
194.07304	3.7
201.05391	2.7
202.06186	7.3
203.08534	6.2
205.06596	4.5
205.08528	7.1
205.10210	2.3
206.07224	8.5
207.08029	4.1
209.05995	4.1
210.06702	3.4
211.07555	5.3
215.06880	5.7
215.08676	4.1
217.06570	2.5
217.08545	65.6
218.07193	11.5
219.07957	7.6
219.10156	4.7
221.05858	5.4
221.09570	7.5
222.06715	6.3
223.07347	2.9
226.06210	4.2
229.08511	3.1
231.07982	8.0
232.08842	3.5
233.05861	4.0
233.09552	16.3
234.06781	9.2
235.07549	12.2
237.05450	4.2
237.09010	3.4
238.06052	2.2
239.06970	13.4
240.07814	2.3
241.06476	2.7
241.08580	14.2
242.05626	3.3
246.06676	3.1
247.07379	8.2
247.09570	32.0
248.08167	4.3
249.05437	5.4
249.09081	24.8
250.06110	3.5
250.09798	3.9
251.07027	9.3
252.07710	13.8
253.08485	6.6
255.06535	3.6
257.08075	3.2
259.07535	2.8
260.08160	3.1
261.09024	23.7
262.06119	6.5
262.09583	3.7
263.06937	18.1
263.09592	2.2
263.10602	1.9
264.07816	5.4
265.04944	5.4
265.08511	10.7
266.09274	6.3
267.09988	4.2
269.08102	9.9
271.06012	4.1
275.10745	3.3
276.07520	2.6
277.08420	18.5
278.06000	3.1
278.09195	17.5
279.06369	5.8
279.09625	3.5
280.07321	12.8
281.07986	10.3
281.11557	6.9
285.07526	30.6
285.10709	2.7
286.08099	5.0
289.08496	7.6
291.06558	3.0
291.09964	3.9
292.07147	2.7
292.10678	3.6
293.08008	13.1
293.11652	17.7
294.08746	4.8
295.09680	11.4
296.10355	5.2
298.08301	4.1
299.08951	2.8
300.09888	33.0
301.10599	22.0
305.08099	3.0
306.08807	7.0
307.09482	5.7
308.06656	3.3
308.10016	2.4
309.07446	6.1
309.11145	18.4
310.08344	2.7
310.11697	3.6
311.09058	4.1
311.12613	4.1
313.10709	9.9
321.11118	31.7
322.08276	6.5
322.11630	4.0
323.09015	25.8
324.09323	2.4
325.10593	4.2
326.11392	15.1
327.12149	4.8
338.11258	7.1
339.12140	32.4
340.12979	3.2
341.10107	20.5
341.13770	10.1
353.10052	4.7
353.13773	58.9
354.13919	5.7
371.10669	4.1
371.14801	40.3
372.14615	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
65.03939	2.8
65.40128	1.3
71.04985	2.1
74.71009	1.3
79.05476	8.8
79.32007	1.4
81.07036	3.6
91.05454	12.1
93.03383	1.5
93.07054	1.5
94.04172	5.5
95.04960	4.6
95.08604	1.4
98.22621	3.2
101.05995	1.6
103.05441	3.5
105.07043	2.6
107.04942	17.6
109.06528	4.1
111.04436	4.1
115.05444	8.0
116.06242	4.9
117.07016	2.1
119.04858	1.8
121.06489	2.1
122.03645	10.8
123.04388	3.3
124.05200	3.2
125.05967	2.3
128.06218	5.9
129.05486	2.9
129.06990	16.1
129.07877	2.1
131.04926	8.0
131.08554	12.6
133.02867	1.5
133.06447	1.5
137.05959	100.0
138.06310	3.3
141.06981	5.6
143.04919	3.0
143.08521	1.2
144.05682	11.1
145.06464	5.7
146.03577	1.4
149.05969	3.5
151.03882	5.8
151.07529	5.7
152.04681	2.4
152.06116	1.2
153.05435	2.3
156.05663	24.0
157.06447	7.3
158.07262	3.0
159.04495	1.5
159.08037	20.8
160.05188	3.7
161.05994	4.9
163.03900	2.4
163.07549	1.6
165.05528	2.5
165.06972	2.3
167.07022	38.3
168.05725	1.5
169.06406	3.2
169.07663	2.6
172.05133	4.6
173.05945	3.9
174.06783	7.1
175.07542	11.0
177.05475	5.7
177.06866	1.5
178.07730	4.0
179.07002	2.5
179.08461	2.3
180.05597	1.4
181.04974	2.6
181.06461	3.9
184.05196	5.2
186.06712	3.3
187.07510	21.6
189.05464	2.7
189.07030	4.1
189.09093	7.7
190.07761	4.6
191.06940	2.6
191.08521	3.5
193.10110	3.3
194.07332	1.7
195.06436	2.0
196.05206	1.6
198.06737	2.9
199.07553	2.8
201.09044	2.7
202.06236	11.0
202.07803	3.0
203.07199	1.9
203.08624	10.7
204.07684	2.6
204.09354	2.6
205.06604	3.0
205.08557	6.5
205.10233	3.1
206.07289	6.6
207.08006	4.7
210.06474	1.7
211.03874	1.3
211.07550	3.9
214.06219	2.1
215.06941	3.9
215.08722	6.4
217.06622	2.8
217.08556	62.0
218.07224	14.8
218.08894	2.3
219.07994	9.2
219.10155	4.8
220.08809	2.6
221.06075	2.4
221.09584	10.5
222.06819	2.6
223.07489	5.5
224.08269	3.4
225.08974	1.9
226.06253	7.4
227.03326	1.6
227.06950	2.3
229.06564	2.8
229.08612	2.9
231.08054	9.6
232.08777	5.2
233.06009	2.6
233.09584	16.8
234.06696	12.8
235.07466	13.7
236.08192	2.0
237.05426	3.5
237.09090	2.0
238.09872	3.1
239.07007	16.3
241.08549	17.6
242.05635	2.9
243.08049	4.2
245.06015	1.8
246.06688	4.9
247.07451	7.4
247.09668	26.1
248.08273	4.6
249.09085	20.0
250.06134	1.9
250.09818	7.1
251.07004	8.8
251.10663	2.0
252.07739	10.8
253.08394	1.8
255.06512	3.2
257.08081	2.9
259.07465	3.1
260.08221	6.1
261.09052	23.7
262.06198	4.5
262.09799	4.6
263.06982	13.8
263.10547	3.6
264.07736	4.4
265.08551	4.4
265.11829	1.3
266.09235	6.7
267.06400	1.4
267.10098	1.8
268.07364	1.6
269.07990	9.5
270.08621	2.2
271.05923	7.7
275.07034	1.9
275.10620	2.1
276.07687	1.5
277.08530	22.8
278.06442	2.0
278.09341	14.4
279.06500	5.0
279.10025	3.8
280.07349	4.7
281.08429	2.2
281.11655	6.8
283.09296	1.8
285.04578	2.8
285.07532	32.7
285.10519	1.1
286.08255	4.4
289.08475	7.9
290.09253	2.5
291.06436	3.7
291.10129	5.1
292.07288	3.2
292.10645	2.8
293.08054	6.5
293.11679	19.0
294.08807	3.8
295.09515	5.4
296.10104	2.5
297.07574	1.9
298.08176	3.0
300.09882	37.2
301.10669	15.1
306.08813	5.2
307.09561	10.1
308.06677	3.8
308.10031	1.6
309.07785	3.0
309.11139	16.6
310.11801	2.6
311.08908	3.8
311.12506	2.1
313.10611	11.6
321.11121	27.6
322.08197	2.7
322.11707	5.9
323.09085	9.6
324.09686	1.6
325.10568	3.3
326.11420	11.6
327.12164	3.5
338.11374	5.9
339.12106	5.9
341.10406	2.5
341.13751	8.9
343.11465	1.5
343.15359	2.0
353.13788	47.0
354.14056	3.8
371.11316	2.1
371.14896	29.3
371.21951	1.6
372.14883	2.4
380.00018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.1
57.07060	1.1
66.12926	0.3
67.05492	0.8
69.03403	0.4
69.07057	0.5
70.06578	0.7
70.77777	0.4
71.52398	0.3
79.05469	0.4
81.03397	0.5
81.07032	0.6
82.06564	1.1
83.04964	1.0
83.08620	2.8
84.08138	0.4
85.02892	0.7
91.05471	1.4
95.04913	0.5
95.08610	0.4
95.38240	0.4
97.06556	0.5
97.49701	0.3
98.09631	0.5
100.07604	5.4
100.11240	8.1
105.07020	0.5
107.04925	0.6
107.08585	0.7
109.06560	0.3
110.06047	0.3
110.56886	0.3
111.04418	4.2
111.08080	0.3
112.07581	0.9
119.23463	0.4
121.10167	0.6
123.07977	0.4
123.19579	0.3
125.09626	0.5
126.09141	0.7
127.03922	0.5
127.08694	0.3
128.07057	4.2
133.10220	0.4
135.08083	0.5
135.11659	0.5
137.05956	0.9
140.07040	1.4
147.04382	0.4
147.11621	0.5
149.09586	0.4
159.08046	0.3
163.14864	0.3
167.06937	0.8
168.13823	0.4
182.15381	10.9
182.41577	0.4
191.14284	1.7
203.05212	0.5
209.11603	0.6
209.15231	1.1
209.16849	0.5
210.14862	12.6
210.16827	0.7
227.17465	3.3
228.15936	1.3
244.20172	3.3
300.79715	0.4
310.04663	0.6
336.22803	1.2
337.21176	5.2
353.06509	0.8
353.25201	0.6
354.23822	7.0
371.16724	100.0
371.26511	4.5
372.16983	6.2
372.21143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1674
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05507	0.4
71.04989	0.4
71.42993	0.4
79.05450	0.5
84.04504	0.4
85.02898	0.5
93.07027	0.4
95.04964	2.2
97.02964	0.4
98.05177	0.3
100.86475	0.4
109.10169	0.4
129.05460	0.5
145.08557	0.4
201.03641	0.6
203.05280	0.9
209.15363	0.7
216.29507	0.4
264.76147	0.3
353.15717	2.5
371.16751	100.0
372.17026	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1674
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
51.48244	0.3
53.12255	0.3
55.05503	0.4
60.66132	0.2
65.36880	0.3
69.54124	1.0
77.68929	0.2
79.05492	0.4
81.03288	0.3
83.08631	0.4
92.04993	0.4
100.07577	0.5
100.11245	0.7
101.05999	0.4
111.04427	0.7
113.02081	0.3
128.07071	0.4
129.05455	0.5
135.05492	0.7
137.02353	0.4
145.10052	0.3
147.06480	0.3
153.06595	2.4
154.04973	7.8
182.15376	1.1
201.03682	0.5
203.05177	0.3
209.11580	0.4
210.14848	1.9
227.17497	0.6
244.20226	0.7
280.08096	1.1
283.11346	0.4
301.12570	2.4
337.21259	0.7
354.23819	0.9
371.16718	100.0
372.12500	0.5
372.17065	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01857	1.8
55.05488	3.0
57.03422	1.2
57.07062	2.1
61.02924	1.0
67.05511	1.9
67.61090	0.8
69.03421	4.1
69.07041	3.4
70.50035	1.4
71.04985	0.9
73.02908	0.9
79.05473	3.2
81.03393	1.9
81.07035	2.6
83.04967	3.8
83.08599	3.2
85.02880	5.9
85.06521	2.8
87.04436	0.8
91.05455	5.9
93.07034	10.6
95.04956	13.2
95.08582	3.2
97.02881	2.3
97.06519	0.8
99.04446	3.2
100.11228	1.9
101.06020	1.0
101.82256	0.8
103.03931	1.2
103.05428	1.0
105.07051	3.6
107.08576	9.7
109.02861	2.3
109.06487	1.7
109.10127	1.4
111.04422	1.1
111.08046	1.4
113.05990	1.3
117.06961	0.8
119.08580	2.6
121.09261	1.5
121.10131	24.4
123.04417	1.0
123.08062	1.1
123.11728	1.5
125.09631	1.6
127.03925	2.7
128.04344	0.8
129.05453	1.2
131.08519	1.0
133.06485	0.9
133.10107	2.3
135.08006	1.7
135.11684	1.7
137.05951	1.1
139.11154	1.3
141.06805	0.7
145.10127	1.9
147.06569	0.8
147.07994	0.8
147.11636	1.0
149.09613	1.2
149.13240	1.3
151.11124	1.4
153.09052	3.9
161.13251	0.9
163.14799	6.9
167.14265	1.8
169.12263	1.1
173.13243	3.0
181.12155	2.1
188.88229	0.7
191.06967	1.2
191.14288	7.2
193.11894	1.1
201.03743	1.2
203.05246	1.8
203.06961	0.9
209.15366	12.9
233.15216	0.9
265.09305	0.7
304.26498	0.8
312.76266	0.9
317.17300	0.9
345.11697	0.9
371.16708	100.0
372.16919	7.1
379.78226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.7
68.24487	2.2
69.03421	3.0
71.48021	2.2
79.05482	5.3
81.07040	7.9
91.05473	4.9
93.07024	12.6
95.04959	9.2
95.08599	6.8
105.07022	8.0
107.08590	8.1
109.06516	8.3
109.10112	3.7
117.07027	2.6
119.08551	5.5
121.06495	6.1
121.10072	5.1
123.08056	77.8
125.09586	4.5
131.08569	5.3
133.10141	2.6
135.08029	6.3
135.11647	2.0
137.06024	2.5
137.09608	3.8
143.08537	4.0
145.06430	4.4
145.10104	4.9
149.09633	3.9
149.13277	2.2
151.11180	7.5
155.08536	2.4
157.10130	2.0
159.08095	3.8
161.09621	6.1
171.11757	2.3
172.37665	2.1
173.09618	9.0
173.13217	4.4
175.11200	2.7
182.10907	2.7
183.11545	2.6
185.09605	2.7
187.11127	3.7
191.14307	7.1
197.13254	4.2
199.11125	2.4
201.12680	3.2
203.91768	2.0
209.15393	7.2
211.11171	2.4
215.14333	17.4
215.16318	2.6
229.12207	3.1
231.13823	2.1
243.13805	3.0
247.13275	4.8
249.14803	3.2
290.10983	7.9
336.11536	3.5
339.12146	8.1
353.20999	2.5
371.14691	4.6
371.22128	100.0
372.22226	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	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03935	1.5
55.01866	2.2
55.05504	5.9
57.03429	3.3
57.07062	4.2
65.03947	1.5
67.05499	3.5
69.03422	17.9
69.07063	6.0
70.72241	1.6
70.72607	1.0
71.05004	1.9
79.05482	3.2
81.03402	4.1
81.07059	6.7
83.04968	12.2
83.08610	4.3
84.04550	1.2
85.02895	11.4
85.06541	4.6
91.05465	16.8
93.07030	5.8
95.04917	2.1
95.08604	7.2
97.02879	4.2
97.06517	2.9
99.04468	1.7
99.08102	1.9
100.07607	3.4
100.11231	7.2
105.07007	5.5
107.04946	1.5
107.08583	18.7
107.09257	1.7
109.02864	1.3
109.06511	13.2
109.10165	3.5
111.04444	4.9
111.08077	10.0
115.03934	1.6
119.08540	4.9
120.24718	1.1
121.06513	2.4
121.10142	13.0
123.08050	4.6
123.11685	3.0
125.09623	33.9
126.09996	1.5
127.03889	5.3
128.07068	3.4
129.05522	2.1
131.08559	9.7
133.10092	7.2
135.08040	19.1
135.11665	9.2
140.07034	1.6
143.08484	1.4
145.10097	3.4
147.11676	4.3
149.09595	12.2
149.13239	4.7
150.10406	1.7
153.09099	11.9
158.10925	6.2
163.11185	5.0
163.14786	5.7
165.12726	3.6
167.10675	2.4
173.13246	26.2
176.11899	2.9
181.84352	1.0
182.15363	9.5
191.14287	99.5
191.59885	1.0
192.14648	3.5
193.93584	1.1
209.15337	100.0
210.14786	10.0
220.42500	0.9
227.17487	3.1
244.20235	2.6
268.07327	1.1
278.02313	1.1
336.22787	1.4
337.21161	4.7
353.19592	3.1
354.23846	5.4
357.68448	1.0
371.16702	69.7
371.20773	13.5
371.26453	3.4
372.17087	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01862	3.1
55.05494	4.6
55.17478	1.3
57.03440	3.0
59.04974	1.5
61.02913	5.1
61.84359	1.3
67.05488	5.6
69.03422	22.9
69.07045	4.7
69.80487	5.0
71.04983	2.6
73.02908	1.6
73.06535	1.4
73.38991	1.2
79.05487	7.1
81.03406	12.3
81.07050	10.9
83.04958	8.4
83.08624	3.9
85.02898	31.4
85.06533	2.2
91.05482	5.8
93.07026	10.1
95.04964	8.3
95.08604	8.3
97.02878	9.8
97.06521	5.9
98.37210	1.4
99.04430	3.0
99.08090	1.5
105.07045	7.9
107.04961	2.1
107.08596	11.0
107.70926	1.3
109.02873	7.0
109.06513	10.7
109.10132	5.1
111.04427	1.9
111.08076	2.6
113.93464	1.5
117.07015	1.9
119.08562	5.8
121.06502	4.6
121.10114	15.0
122.03705	1.3
123.08057	36.3
123.11661	3.4
125.09596	3.1
127.03891	6.0
128.06178	1.7
129.07022	1.6
131.08536	3.8
133.10139	4.6
135.08046	5.4
135.11673	3.6
137.05978	4.4
137.09610	14.4
137.13312	1.3
139.11140	3.1
143.08556	3.6
145.04961	6.4
145.06308	1.2
145.10094	4.1
147.11665	5.8
149.09610	11.7
149.13274	6.4
151.11179	15.2
153.09184	1.3
159.08073	1.9
159.11606	1.9
161.05922	2.0
161.09578	3.0
163.11151	3.7
165.12740	44.2
166.13080	2.6
167.07024	4.0
167.10669	2.3
167.14278	2.4
173.09584	3.4
173.13266	4.9
175.07478	2.5
176.07932	3.2
181.12236	3.8
189.09058	2.7
191.10608	1.9
191.14279	17.8
201.09016	1.4
202.09386	3.3
209.15335	100.0
210.15707	4.9
212.07796	1.8
215.14275	6.1
219.07938	2.0
219.09967	1.4
226.09381	3.4
228.07295	1.4
230.08829	3.7
235.07536	2.1
246.08432	2.3
247.13423	1.4
248.05836	1.5
272.09937	3.9
283.02393	5.7
283.09702	1.4
290.11020	6.0
299.05457	2.4
308.11972	2.3
313.45764	1.4
327.04953	2.2
336.11423	1.9
339.12216	6.7
353.21008	3.7
371.16525	8.9
371.22079	43.5
372.22211	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
50.56350	1.2
53.55619	1.3
53.78792	1.1
55.01855	1.7
55.05500	1.8
57.03424	3.7
61.02908	3.5
63.14576	1.2
64.84977	1.1
67.05492	3.7
69.03429	15.8
69.07059	2.6
70.50219	3.1
71.04974	3.1
73.02888	1.6
79.05486	2.7
81.03381	7.0
81.07050	5.2
83.01337	1.5
83.04967	3.1
83.08633	1.3
85.02899	26.5
87.04451	1.8
91.03947	1.5
91.05477	6.0
93.07017	5.4
95.04950	6.7
95.08568	6.3
97.02870	9.2
97.82306	1.4
98.22843	2.0
98.23385	1.7
103.05447	2.3
105.07018	6.0
107.04939	2.1
107.08589	11.1
109.02872	2.8
109.06511	8.8
109.10133	3.4
111.04462	1.8
117.07101	1.2
119.08556	5.0
121.06485	2.7
121.10127	11.0
123.04410	2.3
123.08067	13.9
123.11697	3.4
127.03913	4.4
129.05470	1.5
131.08546	2.3
133.10144	3.2
135.08005	3.2
137.05983	4.3
137.09595	12.9
137.13234	2.1
143.08545	2.1
145.04947	5.5
145.10097	1.2
147.04347	3.0
147.11670	3.9
149.09583	11.1
149.13263	4.1
151.03902	1.5
151.11150	15.7
153.01877	2.0
162.33176	1.3
163.07599	2.0
165.12735	45.8
166.13118	2.0
173.13246	3.0
177.09067	1.3
191.14276	16.3
193.15849	2.0
207.07967	1.9
209.15344	100.0
210.15735	5.2
215.14223	3.3
217.08664	2.7
219.10097	1.8
221.09572	1.8
224.08208	1.3
225.09125	1.9
233.09709	1.8
234.06841	2.8
235.07323	1.8
236.08487	1.6
237.09070	1.6
240.07712	2.9
241.08464	1.6
249.08943	4.0
251.06969	1.7
252.07770	3.1
253.08498	1.7
261.08939	2.0
263.07004	2.3
265.08536	3.2
266.09280	2.7
267.10092	2.3
269.08163	2.6
277.08636	3.1
278.09375	1.9
280.07187	2.4
281.08032	3.4
282.08887	1.5
283.09656	8.9
293.08163	1.8
293.11676	4.4
295.09424	3.7
296.10260	2.6
311.12604	1.7
313.10757	3.7
321.11182	4.9
328.13071	12.1
339.12198	18.7
340.12698	3.1
353.13754	4.7
371.14841	11.5
371.21887	19.3
372.22482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
63.31507	0.5
67.05500	1.8
69.12425	3.4
77.03910	0.7
79.05482	3.4
81.07048	3.4
83.04987	0.6
90.58584	0.6
91.05468	4.6
93.07043	6.9
95.04978	1.5
95.08623	2.8
98.23519	1.0
99.36800	0.6
105.03368	0.5
105.07040	4.6
107.08556	2.9
109.06516	6.7
109.10138	0.7
111.08097	0.9
115.05466	0.8
117.07001	1.4
119.04965	1.1
119.08609	2.6
121.06511	4.3
121.10133	1.0
122.07270	0.5
123.08063	55.5
123.27215	0.5
124.08399	1.2
125.09617	2.1
129.06979	1.5
131.08566	3.1
133.06477	0.7
133.10149	4.6
135.08057	2.7
137.06009	1.8
137.09595	4.1
141.07007	0.8
142.07779	1.3
143.08551	3.3
145.06464	2.0
145.10100	3.9
146.07201	0.5
147.08037	2.4
149.09590	1.9
155.08571	2.0
156.09302	0.7
157.10143	2.2
159.08017	2.9
159.11690	2.4
160.08899	0.6
161.09625	3.5
163.11153	0.9
167.07076	0.5
167.08601	0.7
168.09338	0.9
169.10133	1.1
171.08049	1.2
171.11674	1.9
173.09595	6.5
173.13266	2.4
174.10361	2.3
175.11110	1.5
181.10019	0.9
182.10936	1.3
183.11690	1.4
185.09622	2.3
186.10376	0.8
187.11119	2.5
187.14798	1.2
189.09105	1.7
189.12691	0.8
191.14409	0.6
195.11694	0.9
197.13274	2.6
199.11205	1.4
200.11929	1.4
201.12741	4.0
211.11194	1.4
213.12752	1.1
214.13445	0.7
215.14296	15.5
216.14709	0.8
223.11087	0.6
223.14742	0.5
225.12724	1.4
229.12230	1.2
231.13811	1.8
241.59943	0.6
243.13785	2.4
247.13228	3.4
249.14777	2.4
251.07005	0.6
251.14345	0.7
261.14883	0.8
264.15408	0.7
279.17288	0.7
281.15317	0.6
317.18896	0.6
335.20099	3.0
339.12180	2.3
340.12686	0.7
353.21082	7.0
354.21475	0.5
371.22147	100.0
372.22504	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01855	1.9
55.05486	1.8
57.03418	3.1
57.07049	1.6
59.04996	1.1
61.02917	3.9
61.03215	1.0
66.10380	1.2
67.05475	3.9
69.03124	1.2
69.03427	15.4
69.07050	3.7
69.48766	2.1
69.49197	4.1
71.04977	2.5
79.05488	5.6
81.03423	9.0
81.07049	8.2
83.04975	4.6
83.08602	2.6
85.02402	1.8
85.02898	30.1
87.04433	1.4
91.05456	6.0
93.07038	9.8
95.04971	5.5
95.08586	7.2
97.02866	8.7
97.06510	3.6
98.23478	1.9
99.04415	2.2
101.06058	1.3
103.05463	1.6
105.07024	7.5
107.08588	12.4
109.02863	2.7
109.06492	10.3
109.10124	3.4
111.04436	1.4
111.08070	2.5
114.73645	1.1
116.11600	1.1
117.07001	1.4
119.08571	4.8
121.06480	4.0
121.10132	14.5
122.07244	1.4
123.08056	41.3
123.11667	3.7
125.09591	2.0
125.13284	1.2
127.03918	6.5
128.06244	1.2
129.06981	1.8
131.08516	4.4
133.10110	3.5
135.08018	3.3
137.05965	2.2
137.09598	13.5
143.08559	3.3
145.04895	5.8
145.10118	3.9
147.08133	1.2
147.11609	5.8
149.09598	10.6
149.13258	6.0
151.11153	14.3
157.10066	2.3
159.08075	2.6
159.11659	1.6
161.09605	3.6
163.11162	2.8
165.12741	41.7
166.13150	2.1
167.07039	2.5
173.09622	2.8
173.13152	5.5
175.07556	2.0
176.07864	1.8
181.12184	2.0
189.09074	2.4
191.10558	1.9
191.14310	15.2
193.15872	2.0
197.13316	1.3
201.12679	2.6
202.09448	1.4
209.15341	100.0
210.15656	4.8
215.14279	8.7
226.09407	3.4
229.12265	1.5
230.09032	1.8
231.13791	1.4
243.13818	1.8
247.13251	2.0
249.14949	1.8
272.09943	1.8
283.02368	2.8
290.10983	4.2
291.30856	1.4
308.12152	1.3
311.12375	1.2
321.11288	1.8
336.11481	1.8
339.12167	4.6
353.20859	3.5
371.16541	4.5
371.22098	59.7
372.22427	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	371.2213
Annotation	[4beta(2R,3R)]-Trichotheca-9,12-dien-4-ol, 5-(3-methyloxiranyl)-2,4-pentadienoate
Peak:m/z	Relative Intensity
53.03943	0.3
55.01862	0.3
55.05507	1.0
57.03421	0.2
65.03928	0.2
67.05502	2.1
69.03407	0.6
69.07060	0.5
71.04990	0.3
77.03921	0.6
79.05493	2.9
81.07049	3.7
81.07498	0.3
83.04965	0.5
83.08593	0.2
85.06525	0.2
91.05469	4.6
93.07038	9.0
95.04957	2.7
95.08594	3.0
97.06518	0.6
99.04446	0.4
103.05437	0.2
105.03394	0.7
105.04506	0.5
105.07016	5.0
107.04955	0.7
107.08583	2.4
109.06512	7.8
109.10171	0.6
111.08076	1.3
115.05439	0.4
117.07001	1.3
119.04918	1.2
119.08571	2.8
121.06497	4.6
121.10146	0.6
122.07283	0.5
123.08057	64.0
124.08374	2.0
125.05996	0.3
125.09598	2.1
128.06209	0.7
129.07016	1.8
130.07765	0.3
131.04953	0.3
131.08554	4.2
133.06511	0.6
133.10126	1.7
135.08038	2.5
135.11703	0.3
137.05997	1.8
137.09592	2.8
138.71169	0.2
141.06941	1.1
142.07777	0.8
143.08553	3.4
144.09247	0.3
145.06474	2.2
145.10112	3.3
146.07161	0.2
147.08044	2.8
147.11681	0.7
149.09596	2.6
151.07481	0.4
151.11179	0.3
153.06990	0.3
154.07735	0.2
155.08537	2.3
156.09282	0.6
157.06476	0.3
157.10130	3.1
158.07280	0.5
158.10837	0.5
159.05948	0.2
159.08031	4.6
159.11673	2.1
160.08820	1.0
161.09604	5.0
162.10049	0.3
163.11203	1.2
165.07045	0.5
167.08524	0.7
168.09343	0.6
169.10123	2.0
171.08037	2.0
171.11615	1.6
172.08775	0.6
172.12381	0.4
173.09599	6.9
173.13240	2.9
174.10397	2.1
175.11197	1.4
178.07935	0.2
179.08543	0.4
181.10092	1.0
182.10884	1.3
183.08102	0.6
183.11655	1.8
184.08743	0.2
185.09607	2.4
185.13278	0.8
186.10310	1.1
187.11163	3.2
187.14856	1.1
187.16393	0.2
188.11714	0.2
189.09126	1.3
189.12724	0.5
191.10698	0.3
192.09302	0.2
193.10147	0.5
195.08041	0.3
195.11667	1.0
196.08849	0.3
196.15002	0.3
197.09583	0.5
197.13252	2.8
198.10391	0.3
199.11163	2.2
199.14783	0.2
200.11951	1.8
201.12714	3.8
202.13364	0.3
203.10648	0.4
203.14241	0.3
207.11732	0.5
209.09619	0.3
209.13376	0.4
209.15231	0.2
211.11143	1.3
211.14833	0.3
212.11980	0.2
213.12756	1.6
214.13452	0.7
215.14294	19.1
216.14635	1.1
217.12222	0.5
221.13275	0.5
223.11162	0.5
223.14937	0.4
224.11877	0.3
225.12680	1.4
226.09369	0.2
227.14362	0.3
229.12274	1.4
231.13776	2.2
235.14714	0.4
237.12831	0.6
239.14227	0.3
241.15910	0.2
243.13789	2.4
245.13295	0.3
247.13242	4.3
249.14795	2.6
251.14365	0.4
252.15033	0.2
257.15402	0.2
261.14786	1.0
263.14175	0.3
267.17538	0.4
277.15778	0.3
279.17535	0.6
281.15335	0.4
289.15826	0.2
291.17334	0.4
293.18884	0.6
295.16956	0.4
299.16330	0.3
302.75085	0.2
311.20105	0.6
313.17798	0.4
317.18976	0.4
325.21582	0.5
328.20325	1.0
329.21027	0.3
335.19962	2.4
336.20242	0.3
340.08594	0.2
353.21075	5.8
354.21484	0.9
371.22131	100.0
372.22467	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	371.2215
Annotation	[4beta(2R,3R)]-Trichotheca-9,12-dien-4-ol, 5-(3-methyloxiranyl)-2,4-pentadienoate
Peak:m/z	Relative Intensity
50.54230	0.3
53.03938	0.5
55.01859	0.8
55.05510	1.9
57.03413	0.5
67.05505	3.2
68.24287	0.3
69.03417	1.4
69.07059	0.8
71.04978	0.9
79.05485	4.6
81.03391	0.4
81.07041	5.5
83.04977	1.0
83.08585	0.3
85.06535	0.4
91.05473	5.6
91.80451	0.3
93.07040	9.5
95.04967	5.4
95.08602	5.3
97.06528	1.2
97.75752	0.3
98.22983	0.3
99.04441	0.5
103.05477	0.4
105.03407	0.5
105.07022	9.6
106.07308	0.4
107.04955	1.4
107.08584	4.9
108.05682	0.3
109.06512	5.3
109.10153	0.8
111.08074	1.2
115.05415	0.8
117.07014	3.3
119.04921	1.4
119.08568	5.5
121.06492	4.9
121.10110	2.0
122.07285	2.6
122.27106	0.4
123.04437	1.1
123.08059	29.3
123.84113	0.3
124.08407	1.1
125.09600	1.0
128.06183	1.3
129.05502	0.4
129.07004	2.7
130.07793	0.7
131.08557	5.9
133.06493	1.0
133.10092	3.2
135.04366	0.3
135.08022	2.5
135.11694	0.9
137.05986	2.7
137.09592	1.1
141.06982	1.5
142.07835	1.5
143.08560	6.5
144.05682	0.5
144.09140	0.6
145.06497	1.9
145.10118	7.8
147.08043	3.9
147.11638	0.9
149.09592	2.0
151.03929	0.4
153.06982	0.8
154.07738	0.6
155.07272	0.6
155.08527	5.1
156.09273	1.2
157.06502	1.0
157.10120	5.3
158.07245	1.1
158.10765	0.5
159.08037	3.6
159.11671	3.8
161.09628	3.5
161.13148	0.3
163.07646	0.4
163.11171	1.5
165.07027	1.0
166.07741	0.5
167.07187	0.5
167.08543	1.7
168.09308	1.2
169.10112	4.1
171.08044	3.5
171.11685	4.6
172.08740	0.5
173.09615	7.5
173.13248	4.2
174.10210	0.7
175.07553	0.4
175.11220	1.5
177.09088	0.4
177.12724	0.7
179.08655	0.7
180.09328	0.9
181.06448	0.4
181.10107	1.4
182.10918	2.1
183.08072	0.6
183.11708	2.6
184.08839	0.4
184.12515	0.4
185.09633	2.5
185.13252	2.1
186.10341	0.5
187.11134	2.5
187.14824	1.4
189.07498	0.4
189.09036	2.3
189.12718	0.6
191.10620	2.9
191.14279	0.5
192.09265	1.0
193.10080	1.7
194.10875	0.7
195.08063	0.8
195.11653	2.4
196.08809	0.6
197.09595	1.5
197.13234	7.0
198.10355	1.2
198.13849	0.4
199.11157	3.4
199.14717	1.9
200.11880	0.9
201.12715	3.0
203.08557	0.5
205.10165	0.9
207.08226	0.5
207.09952	0.4
207.11772	2.0
208.12418	0.5
209.09512	0.9
209.11630	1.0
209.13281	1.2
210.10419	0.5
211.11154	2.5
211.14835	1.0
211.20410	0.3
213.12741	2.9
215.10588	0.4
215.14285	8.3
217.10262	0.7
217.12167	0.5
218.10855	0.5
219.11635	1.0
220.12326	0.4
221.09657	0.5
221.13220	1.2
222.13943	0.5
223.11169	1.8
223.14755	0.9
224.11902	0.4
225.12741	5.1
225.16328	0.7
226.13159	0.4
227.10706	0.6
227.14281	1.2
229.12234	2.1
230.10803	0.4
231.11607	0.8
231.13771	4.6
232.12280	0.6
233.09517	0.5
233.13217	1.3
234.13847	0.6
235.11148	0.7
235.14821	0.9
236.11923	0.5
236.15477	0.5
237.12680	1.2
237.16341	1.0
238.13422	0.6
239.14308	1.3
241.12154	0.4
243.13817	2.0
247.13205	1.4
247.15195	0.7
249.12556	0.6
249.14479	2.2
250.13409	0.5
251.14326	1.2
252.07773	0.4
252.14992	0.3
253.15915	0.5
257.15366	0.5
259.14774	0.8
261.16403	0.7
262.13422	0.6
263.14359	0.7
263.17859	0.7
265.15894	1.6
265.19202	0.3
267.14066	0.5
267.17419	0.9
269.15421	0.5
273.16351	0.5
274.17133	0.6
277.15912	1.6
279.17450	1.2
281.18863	0.6
283.16833	2.1
287.14203	0.4
289.16086	0.4
289.19421	1.2
291.17386	1.2
293.11624	0.4
293.15372	0.4
293.19077	1.0
295.16846	2.4
297.18436	0.5
300.17221	0.8
301.17978	5.3
307.20499	1.8
309.18497	2.0
309.21698	0.5
310.19098	0.7
311.16586	0.8
311.20001	1.4
313.17892	0.4
317.18936	2.2
320.18057	0.4
325.21658	0.8
327.14001	1.1
327.19534	6.0
328.20142	1.9
329.21033	2.8
329.74747	0.3
335.20047	5.8
336.20386	0.6
339.12210	1.3
343.22861	0.4
353.21051	15.1
354.21332	1.5
371.13641	5.3
371.22128	100.0
372.14151	0.4
372.22440	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	371.2213
Annotation	[4beta(2R,3R)]-Trichotheca-9,12-dien-4-ol, 5-(3-methyloxiranyl)-2,4-pentadienoate
Peak:m/z	Relative Intensity
55.01857	1.4
55.05516	1.1
60.51821	0.4
65.03920	1.0
67.05494	2.9
69.03415	1.2
71.04939	0.7
71.43063	0.5
74.72241	0.4
77.03932	0.8
79.05489	3.2
81.07049	4.7
83.04972	1.1
83.08607	0.9
91.05450	6.5
93.07028	8.8
95.04948	5.2
95.08601	2.4
97.02879	1.1
97.06548	0.9
99.04446	0.8
100.11233	0.9
103.05453	1.0
105.03386	1.1
105.04485	0.5
105.07022	8.0
106.66101	0.5
107.04935	1.7
107.08587	2.5
109.06503	7.1
109.10094	0.7
111.04419	0.6
111.08035	0.8
115.05438	1.0
117.07003	1.8
119.04908	1.0
119.08567	3.9
121.06479	5.7
121.10137	0.8
123.04437	0.9
123.08051	62.5
124.08409	1.6
125.09617	2.8
127.63899	0.5
128.06212	0.9
129.06969	2.7
130.07800	0.7
131.04868	0.9
131.08548	4.8
133.06461	1.4
133.10091	2.4
135.08032	3.7
135.11777	0.6
137.05952	3.8
137.09593	2.8
141.06978	1.7
141.11447	0.7
142.07774	0.6
143.08545	3.4
145.06451	2.7
145.10100	3.9
147.06526	0.5
147.08003	3.2
147.11674	1.1
149.05913	1.0
149.09633	2.7
151.07529	1.1
153.06931	0.5
153.09071	0.9
155.08559	2.1
156.05591	0.8
156.09320	0.9
157.06471	1.0
157.10129	3.6
158.07182	0.7
159.08040	5.6
159.11717	2.3
160.08789	0.9
161.05936	0.8
161.09596	4.9
161.13269	0.6
163.07472	0.7
163.11154	1.2
165.06961	0.7
167.07014	2.6
167.08409	1.0
168.09357	0.8
169.10101	2.4
171.08003	1.9
171.11649	2.5
172.08835	0.9
173.09584	6.6
173.13257	3.1
174.10323	2.1
175.07550	0.9
175.11156	1.6
177.05495	0.8
178.07642	0.7
181.05009	1.6
181.06461	0.9
181.10097	1.3
182.10832	1.7
183.11662	2.6
185.09561	2.5
185.13106	1.2
186.10510	0.9
187.07539	0.9
187.11166	2.8
187.14749	0.9
189.07283	0.5
189.09070	1.8
193.08563	0.7
193.10121	1.2
195.08037	1.0
195.11644	1.2
196.08868	0.8
197.13243	4.4
199.11145	2.4
200.11911	2.4
201.12691	4.8
205.10030	0.7
206.07242	0.6
207.08105	1.2
207.11681	0.6
208.12080	0.5
211.11139	1.6
213.12701	1.9
215.14273	16.7
216.14552	1.0
217.08519	2.2
219.11781	0.6
221.09593	0.6
223.07443	0.8
223.11203	0.8
224.08253	0.7
225.12755	2.4
227.17499	1.1
229.12225	2.0
231.13776	1.8
233.09601	0.7
234.06631	1.1
235.07468	1.1
235.14709	0.6
237.12691	0.7
238.40227	0.6
243.13823	2.7
247.07462	0.7
247.13235	6.7
249.09145	1.3
249.14716	2.7
250.09758	0.6
251.14343	1.0
252.07770	1.3
253.15736	0.7
261.09070	0.6
261.14838	1.6
263.07010	0.7
265.08569	1.6
266.09265	1.0
276.72690	0.6
277.08560	0.8
279.06223	0.5
279.10034	0.8
279.17197	1.0
280.07333	1.2
281.08133	1.0
281.15305	1.1
289.71616	0.8
293.08380	0.7
293.11606	1.3
293.18851	1.2
294.22400	0.5
295.09570	1.4
295.16733	0.7
296.10318	0.6
309.11194	0.6
311.12439	1.0
311.19934	1.1
317.18918	1.2
327.12204	1.8
328.20413	0.7
335.19949	5.3
339.12216	8.7
340.12729	1.1
353.13727	1.5
353.21027	10.4
353.25073	0.8
354.21371	0.8
367.50989	0.5
371.15121	10.3
371.22095	100.0
372.15118	0.9
372.22418	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	372.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77422	0.3
53.83048	0.3
55.05467	0.3
65.03905	0.6
67.05452	0.3
68.99755	0.5
71.28294	0.3
75.03769	0.3
77.03909	0.3
79.05449	0.7
81.07011	0.3
83.01286	0.6
83.04883	0.3
87.13257	0.3
89.03893	1.8
91.04165	0.3
91.05412	1.0
92.04919	0.4
94.04047	0.3
95.04905	0.8
101.03864	0.3
102.03394	0.4
103.04161	0.7
103.05384	0.6
104.04910	1.1
105.03393	0.4
105.05714	0.4
106.06506	0.5
107.04894	1.2
111.04388	0.3
114.03430	1.4
115.05418	0.3
116.04971	1.7
117.03308	0.8
117.05702	0.5
118.04064	0.3
119.03613	0.9
119.04824	0.4
120.04460	3.0
120.08044	1.0
121.06475	0.4
127.04110	1.1
128.04872	0.8
129.03387	0.5
129.04417	4.0
130.02951	0.4
130.04005	3.8
130.06346	0.3
131.04900	0.3
131.05919	0.3
132.04359	0.8
133.02800	0.5
133.05229	4.5
134.03647	0.4
134.06000	8.9
141.04471	1.4
142.15295	0.3
143.03596	0.9
143.06030	3.7
144.04366	1.0
145.02853	3.3
145.03847	0.5
145.04222	0.3
145.05205	3.0
146.02280	0.7
146.05995	0.5
147.04442	0.3
149.59819	0.3
151.11108	0.4
154.05212	0.4
155.06021	1.8
156.04425	18.3
157.02795	0.6
157.04861	0.4
159.05493	1.3
160.03900	0.6
160.49182	0.3
161.07091	0.6
162.03081	0.4
162.05368	1.0
169.03952	2.2
170.04674	1.4
170.06001	0.4
171.03090	0.8
171.05533	4.5
172.03915	20.6
173.04547	1.3
174.05455	0.4
175.03757	0.3
177.05392	1.1
182.04665	1.3
182.07135	1.5
183.05510	14.7
184.03926	0.7
184.05774	0.5
186.05367	0.6
187.04878	0.8
197.07094	0.6
199.05005	5.0
200.03412	6.5
200.05229	0.7
201.04123	6.3
201.06496	3.0
202.04625	0.4
210.04169	5.7
210.06523	2.0
211.04951	1.7
216.06509	3.9
225.06445	0.4
227.04468	0.3
229.07596	0.3
231.09196	0.7
233.06941	0.6
242.03209	2.7
244.08623	1.0
245.07004	0.9
245.09369	0.6
246.07826	1.0
247.08626	0.3
256.08575	0.4
257.06985	0.4
258.07901	0.5
259.08411	0.6
260.07047	0.3
262.08514	0.6
271.08578	0.7
272.08130	5.4
273.06409	2.5
273.08954	3.7
274.07227	1.2
275.08038	1.1
284.08194	0.6
285.06436	0.4
287.07996	3.0
288.06305	0.5
288.11316	0.4
289.09720	0.6
300.07626	5.8
301.08356	8.1
302.08954	0.5
303.07523	2.0
312.07690	0.8
312.19858	0.4
315.09912	1.3
316.10809	7.0
317.09277	1.1
328.07141	14.6
328.10693	0.5
329.07895	52.5
330.08261	4.0
340.07159	0.5
343.08200	0.6
344.10269	40.4
345.10608	3.1
358.10330	0.3
372.09753	100.0
373.09769	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	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05514	0.3
57.07065	0.3
61.02910	0.3
69.03419	2.4
69.47355	1.2
71.04984	0.3
81.03401	1.3
85.02908	3.2
88.77380	0.3
92.05004	4.5
97.02879	0.9
97.06528	1.4
98.22725	0.4
101.62718	0.3
108.04470	1.4
109.02852	0.6
109.06467	0.3
110.06001	0.4
123.04348	0.4
127.03918	1.3
136.03905	3.6
147.06490	0.5
154.04979	100.0
155.05348	2.2
182.67796	0.3
196.06068	1.8
210.07707	0.3
256.08365	0.3
262.07156	1.1
277.03500	1.1
280.05167	0.7
280.08154	11.2
280.11255	0.6
281.08594	0.5
298.09143	2.9
309.07303	0.3
338.19543	0.3
372.16895	3.3
373.09436	1.5
373.18307	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	372.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	8.6
87.04449	1.7
88.07602	1.2
98.97601	1.9
110.97552	2.7
116.98608	2.7
118.89516	1.4
128.98587	3.6
129.05412	1.2
146.99669	2.5
167.03828	1.1
170.46404	1.3
171.03270	2.7
175.02809	1.4
183.03209	1.4
185.04889	3.9
189.04333	2.0
191.05835	1.5
199.06401	5.2
203.05875	4.4
205.07440	1.3
211.06425	1.2
217.07487	7.6
223.02728	1.9
223.08351	1.1
226.05014	1.6
237.04340	3.7
239.09349	1.7
253.11180	1.7
267.09070	1.8
280.09824	3.2
298.10800	1.6
325.16721	1.3
331.15753	24.0
343.07968	5.4
349.16830	100.0
350.17099	5.9
367.17822	3.6
372.14761	1.2
372.18567	8.7
372.34845	2.2
373.12881	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	372.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77229	0.6
55.01683	0.5
58.06595	0.6
60.05637	1.8
60.08158	26.2
60.37906	0.6
68.05020	4.2
69.70215	0.5
69.90852	1.7
69.96830	0.6
70.06571	3.2
71.08604	0.5
95.06079	93.0
96.06402	1.4
111.05538	0.9
112.89583	1.2
116.07099	1.0
118.97977	0.5
154.13373	47.2
155.13725	1.5
158.09100	0.7
175.11864	4.4
198.12350	100.0
199.12747	3.7
211.18384	0.6
297.56430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03918	1.6
55.05507	1.6
55.57633	1.2
57.03434	2.2
57.07077	1.8
66.65749	1.2
67.05501	4.8
69.03421	3.5
69.07068	2.2
70.06605	1.2
71.49678	1.7
73.20724	1.3
77.03928	1.9
79.05489	4.9
81.03413	3.7
81.07053	1.5
83.04969	1.5
84.04472	2.4
85.02902	6.6
85.06551	9.8
93.07013	1.2
95.01347	3.2
95.04977	9.0
95.08632	1.5
97.06519	6.9
100.07633	1.5
100.11249	1.7
105.03386	100.0
105.04532	3.7
105.07018	2.2
106.03769	2.0
106.96305	1.3
107.04968	1.1
108.04517	1.8
109.10118	1.4
111.04446	1.3
113.02362	1.5
119.04934	1.7
121.06516	1.5
123.04432	5.9
125.05988	3.5
130.04140	2.3
130.05026	2.7
131.04906	1.4
137.05989	7.5
141.01828	3.1
146.06062	2.3
147.04410	5.1
147.07721	1.7
149.02391	4.2
149.05934	1.6
151.03932	3.8
151.07625	1.8
153.05493	5.1
162.06776	6.2
165.05521	2.1
167.07101	1.7
168.06624	2.0
170.05763	2.6
177.05498	2.3
179.03392	40.5
179.07010	24.5
179.08447	1.1
180.03764	2.3
182.15385	2.7
197.08078	9.3
204.06508	1.8
210.14981	2.4
211.09689	1.3
247.02419	5.3
259.02481	2.4
277.03455	4.6
315.14197	1.8
341.09961	8.4
373.09131	9.3
373.14365	9.0
373.18420	74.1
374.09348	1.4
374.18631	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.21912	0.2
55.01857	0.3
55.05506	0.4
58.42622	0.2
65.22833	0.2
67.05488	0.7
69.03403	0.6
69.07064	0.6
69.10018	1.5
78.25708	0.2
79.01851	4.6
79.05481	1.1
81.03407	0.6
81.07047	1.0
83.08595	0.3
85.02892	0.3
86.09686	0.4
91.05476	1.0
93.07040	0.7
95.04936	0.3
95.08604	0.5
97.02886	1.0
97.06540	0.5
104.06258	0.2
105.07024	0.7
107.01287	1.0
107.08587	0.7
109.02862	0.6
109.10130	0.3
115.05456	2.2
117.07016	1.0
119.08569	0.7
121.10157	0.5
125.02345	2.7
127.03913	0.4
128.06212	7.3
129.05461	0.4
131.04948	0.5
132.05705	1.0
133.10130	0.4
135.11671	0.3
141.06975	0.7
143.03384	5.5
143.08548	10.3
145.06448	0.8
147.08025	0.7
147.11668	0.8
153.01813	100.0
153.02872	5.1
154.02191	2.6
155.06020	0.6
159.04346	0.4
160.05197	2.6
162.06673	0.3
165.12805	0.4
167.07051	0.4
171.08031	11.3
172.08458	0.5
175.07526	20.4
176.07895	0.7
177.09093	3.2
182.15068	0.2
188.08308	0.5
203.10672	4.2
221.11687	0.7
313.11633	0.3
338.11859	0.5
341.13367	0.3
351.61356	0.3
355.11899	0.3
373.13037	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
59.18350	1.0
60.66782	1.0
65.03926	2.3
65.16630	0.9
65.86840	1.1
65.95161	1.1
67.35604	0.9
68.02647	1.9
69.29124	1.0
69.54071	2.4
69.54457	2.2
74.34217	1.0
79.05522	1.4
83.04976	2.6
91.05509	1.4
96.02098	4.4
98.23162	3.5
111.04435	28.0
115.05480	1.7
115.19440	1.2
119.04919	1.1
131.04913	1.9
134.20192	1.1
139.03893	12.9
145.06491	2.4
147.04483	1.3
151.03882	2.5
152.06221	2.2
153.06960	2.6
155.08501	1.6
158.07286	2.3
159.08072	6.9
161.05969	3.5
165.06964	5.1
166.07820	2.8
167.03394	7.5
167.04723	1.8
167.07156	1.3
167.08482	2.4
168.05708	2.0
169.06430	1.6
175.07529	2.4
176.06184	1.4
177.06967	2.5
178.07767	2.4
179.08545	2.4
181.06487	3.4
181.10086	1.4
182.07286	2.2
183.08025	4.1
185.05927	3.0
186.06783	1.9
187.07628	3.2
191.08583	1.7
193.06400	1.4
194.07239	9.6
195.08031	5.5
196.05205	2.1
197.05872	1.3
197.09560	2.3
198.06703	2.6
199.07510	2.1
205.06483	7.7
205.08159	1.2
206.07185	2.7
207.07973	2.7
208.08812	1.5
209.05968	2.5
209.09593	9.7
210.06712	1.7
211.07504	9.1
212.08273	1.4
213.05415	1.4
213.08884	1.5
217.08531	2.1
219.08078	1.9
221.05942	4.8
222.06775	8.3
223.07460	7.4
224.08215	2.3
225.09102	3.6
226.06143	1.2
226.09842	2.8
227.06972	3.7
229.08524	1.4
231.06346	1.7
233.05965	3.8
234.06659	3.7
235.07538	3.5
236.08363	6.9
237.05399	1.3
237.09102	15.9
238.09584	1.4
239.07028	17.8
240.07793	2.6
241.08565	2.2
243.10139	2.3
249.05435	2.3
250.06215	5.2
251.06987	4.8
251.10623	2.6
253.08505	5.7
254.09348	9.3
255.10077	6.0
256.07254	3.6
257.08047	1.9
263.07193	1.4
265.08551	18.1
266.09140	2.9
266.30698	1.2
267.06485	4.5
267.10107	2.5
268.07208	4.3
269.08243	2.6
269.11676	5.7
270.08835	2.0
271.09653	2.6
278.05716	1.3
279.06876	1.5
279.10059	3.3
281.08026	2.1
282.08804	4.3
283.09674	8.0
285.07562	2.1
285.11194	1.9
287.12775	3.5
293.08078	3.0
294.08719	2.6
295.09656	3.4
297.11179	14.9
299.09091	11.4
309.11246	1.3
311.09143	8.0
313.10614	2.0
315.12192	6.6
325.10696	13.4
328.09314	1.4
343.11737	100.0
344.12125	8.7
355.11713	2.7
373.12570	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	373.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40975	1.3
69.41370	1.1
75.14017	0.5
103.02164	0.4
109.46244	0.5
137.11783	0.5
138.08806	0.5
153.80708	0.6
177.03928	0.5
177.05418	1.2
195.06520	0.6
203.05191	0.7
211.09366	0.7
216.48170	0.5
321.96042	0.6
373.14648	100.0
374.15057	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	373.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
69.03451	0.9
69.53037	0.9
69.67746	2.2
69.68138	2.0
79.05468	3.0
81.03414	2.3
81.07037	1.3
91.05480	17.1
93.07019	1.0
93.72492	0.8
94.04177	2.1
95.04961	3.0
98.23091	2.6
100.65553	0.9
103.05467	2.9
105.07034	2.2
107.04942	9.2
109.02863	3.9
109.06500	2.6
114.37717	0.9
115.05439	1.9
117.06978	1.2
119.04938	9.4
119.08642	1.5
121.06462	2.5
122.03632	6.6
125.06004	1.7
128.06204	3.2
129.06993	17.5
131.04903	5.5
131.08578	1.8
133.06470	1.8
135.08026	2.4
136.05228	1.0
137.05966	100.0
138.06314	2.6
143.04843	1.8
145.06422	2.3
146.03583	1.6
146.07268	0.9
147.08073	1.5
149.05981	3.7
151.03905	4.8
151.07526	51.1
152.06171	1.2
152.07881	1.0
153.05486	1.3
153.06960	1.8
154.07777	1.0
157.06462	16.8
159.08051	1.2
160.05228	1.7
161.05962	9.5
161.09622	5.0
163.07536	9.2
165.05617	1.3
165.06992	11.3
166.07530	1.7
167.03342	1.3
167.07149	0.9
167.08595	1.9
169.06487	1.5
174.06776	7.4
175.07565	7.9
177.05522	1.4
177.06978	1.1
177.09128	1.4
178.07755	5.3
179.08508	1.7
181.04968	1.8
181.06461	4.0
182.07169	4.3
187.07600	0.9
189.09088	48.2
190.09444	1.5
191.07002	1.9
192.09351	2.2
193.06494	10.1
193.08273	1.4
193.08575	1.3
193.10121	10.7
194.07187	1.8
194.10538	1.1
195.08064	3.3
196.08835	1.5
197.05907	1.8
197.09639	1.8
201.12816	1.2
202.07840	2.0
203.08556	2.5
206.07175	1.0
207.08003	2.9
209.05934	2.2
210.06708	9.8
210.10457	1.0
211.07530	2.4
219.08076	1.8
220.08711	1.3
221.06012	14.1
221.09564	13.9
222.06516	2.2
222.10034	1.5
223.07503	3.1
224.08257	5.2
225.09102	12.2
227.07018	1.5
227.10657	1.6
229.12230	1.1
235.07487	1.8
237.05502	1.4
238.06236	3.2
238.10004	1.7
239.07027	1.7
239.10712	2.4
241.08513	1.2
249.09074	8.8
250.09427	1.0
252.07837	2.8
253.08585	14.6
253.12206	26.9
254.09189	1.3
254.12521	1.4
255.06551	1.9
266.09152	1.2
267.10110	9.0
269.08087	3.1
270.08786	2.1
272.10403	4.0
281.11682	12.9
282.12363	1.0
283.34882	1.1
284.10428	2.1
285.11166	36.8
286.11621	1.7
287.12921	1.4
313.10678	1.5
313.14304	26.5
314.14545	1.7
341.10187	1.1
343.08081	2.6
373.12570	5.1
373.16592	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65768	0.3
55.24429	0.3
61.44605	0.3
69.07061	0.4
69.43793	1.4
70.50874	0.3
78.80936	0.4
79.05467	0.5
81.07034	0.3
85.02919	0.5
86.09693	1.9
95.04959	0.5
97.06521	2.5
106.40501	0.4
108.03772	0.4
108.04488	1.7
109.06506	0.5
112.07635	0.5
119.08549	0.6
120.08087	0.8
123.04422	2.2
135.53439	0.4
146.06015	0.5
150.09166	1.4
157.13370	0.4
162.05504	0.5
163.03954	0.5
166.08667	0.5
168.06554	0.8
175.07521	0.8
177.09100	0.6
185.12866	0.4
204.10178	0.9
206.08127	0.7
211.13087	1.0
217.08650	0.4
222.11142	1.8
231.02914	0.5
247.02475	1.1
277.03455	1.3
301.12427	0.4
323.25146	0.4
356.14954	0.6
373.08929	3.5
373.18317	100.0
374.18988	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
60.56697	0.5
67.05518	0.8
69.03425	2.1
69.07062	1.2
71.42973	0.6
79.05491	1.7
81.03425	0.8
82.29475	0.4
83.04990	0.8
85.02907	2.8
91.05464	0.8
91.51149	0.5
95.04974	1.3
96.58246	0.5
97.06527	7.0
103.05452	0.6
105.07024	2.2
107.04964	0.6
107.08607	0.7
109.06534	0.7
117.53459	0.5
119.04955	1.3
119.08573	0.5
121.06537	0.5
127.03981	0.7
130.04994	0.8
131.04913	0.7
133.06483	2.3
133.10136	0.6
135.04433	0.6
137.05975	1.2
142.04904	0.6
145.19283	0.7
149.05983	0.8
151.07581	1.1
151.11192	0.6
159.07751	0.6
161.05922	5.0
163.03922	1.0
167.07027	0.7
179.07054	1.0
187.04005	0.5
193.08603	1.4
193.11992	1.9
195.13550	12.9
196.07341	0.6
196.13789	0.6
201.03687	13.4
203.05252	4.9
211.09479	2.3
211.14986	0.7
231.02838	1.2
247.02344	0.7
259.02405	1.9
276.02542	0.7
277.03448	2.8
311.09244	0.6
315.14114	19.4
316.14581	0.9
373.09201	5.5
373.14902	5.6
373.18332	100.0
374.18649	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	373.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29467	0.4
59.57744	0.4
64.62800	0.5
66.61831	0.4
68.95760	0.4
69.03424	0.8
69.53269	1.4
69.53692	0.7
70.06573	0.4
72.08136	0.5
82.56817	0.5
84.08131	3.9
85.02891	0.7
86.09696	1.3
93.54109	0.4
98.23535	0.5
106.16743	0.4
123.04433	0.5
129.10222	3.4
145.02821	0.7
153.05428	0.5
158.60384	0.4
161.05974	0.5
168.86952	0.4
177.05481	1.7
193.11963	2.5
195.06551	0.8
195.13544	2.5
201.03656	3.2
203.05208	5.3
211.09486	2.0
373.14597	100.0
373.18445	42.9
374.14706	6.4
374.19208	2.7
385.08817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01871	3.8
55.05502	11.7
57.03429	6.5
63.57780	1.1
65.03941	1.0
67.05495	28.6
68.05854	1.0
69.03423	29.8
69.03799	1.4
69.07057	14.3
69.33014	4.6
70.03775	0.9
71.01327	1.4
71.04983	8.9
79.05482	19.9
81.03044	0.8
81.03410	46.1
81.07048	89.3
82.07365	1.5
83.04978	6.0
83.08611	7.8
85.02891	14.7
85.06534	6.1
91.05473	28.8
91.06058	1.5
93.07034	15.4
95.04971	3.8
95.08599	19.8
97.02896	13.2
97.06528	8.3
97.10178	1.1
99.04449	9.5
99.08091	3.3
99.18958	0.9
101.06012	1.1
105.07021	43.7
105.07731	2.2
107.08588	16.8
109.02866	22.0
109.03552	1.8
109.06506	5.9
109.10160	3.1
111.91218	1.0
113.05979	2.2
115.07601	1.1
117.07034	2.1
119.08562	36.6
120.08945	1.3
121.06490	1.4
121.10136	28.5
121.10986	1.7
123.08057	5.0
123.11691	36.5
124.12084	1.3
125.09614	1.9
127.03904	19.9
127.07559	4.4
129.06969	1.6
131.08565	2.5
133.10133	4.5
137.05943	1.4
137.09653	2.3
137.13268	1.8
141.09093	2.4
145.04939	1.8
145.10126	2.4
147.11667	100.0
148.12018	3.4
153.01840	2.7
157.10100	3.2
165.12738	59.9
166.13060	3.0
167.07043	2.9
173.09703	1.7
175.11203	4.2
177.05458	1.1
183.13782	11.5
191.07025	1.7
193.12195	9.0
193.15874	2.4
211.13329	1.5
229.14314	19.3
313.11563	1.7
319.15442	1.5
327.12271	1.5
337.16318	5.1
341.13632	1.5
355.17584	6.6
355.21466	1.1
373.13898	4.1
373.19952	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
51.66772	8.1
54.56695	7.3
67.05496	14.7
69.03446	8.7
69.07038	11.4
69.36008	35.1
72.22839	9.1
79.05489	11.5
81.07049	33.3
83.08613	15.5
86.41354	8.3
91.05473	9.6
93.07074	14.5
95.08598	35.0
101.51479	9.7
105.07030	17.2
107.04903	9.9
107.08582	24.8
109.10157	100.0
111.08077	13.3
117.94070	7.5
119.08559	39.3
121.10107	20.9
123.08065	15.2
131.04869	10.0
132.40961	8.1
133.06551	10.1
133.10118	23.2
135.11684	81.8
137.05969	10.0
137.09636	12.0
151.03845	10.5
151.11127	10.7
153.01897	9.4
153.97430	8.9
165.56401	8.3
167.07027	15.6
175.07608	9.4
175.14816	44.4
193.15909	36.6
211.16936	49.4
281.08023	9.6
341.13925	22.9
373.23767	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	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05504	8.3
57.07068	5.0
67.05495	21.9
69.03424	10.5
69.07050	11.2
69.45512	13.9
74.14719	4.0
79.05465	4.7
81.03436	5.2
81.07034	20.0
83.01210	3.8
83.04969	14.3
83.08620	7.9
85.02882	7.0
85.06509	4.9
91.05463	8.6
93.07029	8.3
95.08599	31.6
97.06494	6.5
98.23435	6.9
99.08090	3.7
103.05434	6.0
105.07015	8.9
107.04921	15.3
107.08576	23.9
109.06503	9.3
109.09419	5.3
109.10143	100.0
119.08575	43.0
121.10130	11.8
123.08035	16.5
123.11691	6.9
124.08348	3.9
127.03923	3.6
133.10124	20.6
135.08096	6.0
135.11668	80.3
137.05954	7.7
137.09622	15.8
151.11139	6.7
151.14784	7.1
163.07506	17.0
167.07031	11.6
175.14818	34.1
193.15872	51.3
195.10120	7.7
211.16910	50.9
228.02068	3.3
247.02333	5.4
276.02234	4.3
313.11597	4.7
350.11481	3.9
373.09128	9.5
373.13690	7.5
373.18066	9.6
373.23083	17.6
396.96530	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05497	12.4
59.04993	4.2
67.05495	21.7
69.03426	9.5
69.07065	8.8
69.20500	17.4
70.06591	6.7
71.04974	5.4
79.05477	6.2
81.03410	4.1
81.07037	16.4
83.04974	46.8
85.02902	26.4
85.66309	2.3
86.09696	12.9
91.05483	3.4
93.07038	8.9
95.04951	14.1
95.08602	14.1
97.02890	4.8
97.06551	5.8
98.22846	8.8
103.05467	3.0
105.07032	6.8
107.08604	7.7
109.06525	12.0
109.10134	29.6
112.80780	2.9
119.08600	7.1
125.06012	5.1
125.09589	2.5
127.03931	8.7
133.10144	4.2
135.08054	2.5
135.11685	12.1
137.05994	12.1
137.09605	70.3
145.04964	2.4
147.04456	9.5
153.05486	6.9
155.05296	3.0
155.10707	11.7
161.06064	4.5
162.06743	4.0
175.14896	5.5
177.05533	6.0
183.06493	3.4
193.15845	39.1
193.17261	2.9
326.90869	2.7
328.65497	2.5
341.10385	11.3
355.12524	2.6
373.14328	21.2
373.18442	100.0
374.18771	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.5
57.07065	9.6
62.55180	4.9
67.05493	16.0
69.07075	13.2
69.52813	13.4
69.53204	10.0
70.06568	10.9
71.08636	6.5
76.97266	4.7
79.05474	22.7
81.07037	34.9
81.07433	5.3
87.04481	12.1
88.07605	15.5
91.05457	36.5
93.07033	29.0
95.04945	36.4
95.08588	20.4
97.06500	13.5
102.84763	5.5
105.07009	65.3
107.08560	19.6
109.06486	18.1
109.10146	11.6
115.05417	6.5
117.07019	11.5
119.08553	58.5
121.06479	8.5
121.10112	17.5
126.46170	4.5
128.06161	5.4
129.07004	18.5
130.07748	7.3
131.08568	21.4
132.10155	8.4
133.10124	29.4
141.07002	10.2
142.07774	15.4
143.08548	25.0
145.10121	36.0
147.08104	10.1
147.11629	8.7
150.11263	7.3
153.06981	6.7
154.07784	5.8
155.08533	19.5
156.09317	13.2
157.10109	32.7
158.10809	7.3
159.11665	17.1
160.57372	6.0
166.07730	7.0
167.08498	12.4
169.10095	24.0
170.10860	6.0
171.07782	5.4
171.11661	19.6
173.13245	17.7
179.08583	16.2
179.60664	5.3
180.09262	8.8
181.10092	18.7
182.10876	12.8
183.11670	18.2
185.13223	8.3
192.09392	9.5
193.10103	19.4
194.10823	10.0
195.11612	17.3
197.13191	14.9
199.11108	5.7
202.02301	5.7
205.10146	7.2
206.10896	11.4
207.11627	20.3
208.12321	6.2
209.13304	8.9
211.14830	11.5
219.11588	6.3
220.12479	8.9
221.13255	11.7
223.14806	8.0
231.11714	5.4
233.13326	9.9
234.13824	6.4
235.14731	13.0
237.16335	6.8
245.13112	7.8
247.14758	16.9
249.16286	20.4
251.17804	9.2
257.71103	5.8
259.14694	11.6
261.16302	5.9
263.17947	9.4
265.19440	13.6
271.14780	8.1
274.17215	5.8
275.17722	8.5
277.19443	9.8
287.17865	5.5
297.07483	8.5
299.05444	7.2
299.17831	6.1
312.09717	9.0
312.32504	14.2
315.08557	8.1
343.08060	81.9
355.24063	9.8
358.10419	9.1
373.12766	100.0
373.25180	85.4
373.34384	20.5
374.13046	11.4
374.25555	8.6
374.36261	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44391	1.9
54.78161	1.7
55.01865	2.9
57.31509	2.3
58.99573	2.3
69.03434	1.9
70.06590	3.2
74.00661	2.2
76.02219	9.1
84.04494	6.7
86.09689	5.7
91.05468	7.7
98.22714	9.2
103.05471	3.2
105.00070	3.8
105.07027	5.3
107.04912	2.9
117.07030	3.2
119.04939	3.3
122.02718	51.4
122.03523	2.0
128.06212	7.6
129.06993	16.7
130.05011	4.7
131.04901	4.8
131.08578	3.9
133.06480	2.2
135.08044	10.1
137.05954	6.9
144.04681	2.5
145.06462	2.1
147.04387	5.7
147.08032	7.1
148.05186	2.6
157.06502	10.7
158.07079	2.6
161.04221	9.6
161.05972	37.8
161.09576	10.0
163.07535	52.7
165.05450	3.0
165.09088	8.1
169.65652	2.2
172.40372	2.3
174.06740	4.8
175.07495	4.4
177.05417	4.5
178.00838	2.8
179.07036	7.6
184.09712	3.7
188.08299	2.4
189.03674	22.6
189.05461	30.7
189.09090	56.3
191.06984	6.0
193.03180	39.9
193.06879	2.5
193.08519	4.8
201.12254	4.9
203.07014	3.8
207.04745	5.1
207.10149	100.0
208.10617	4.6
217.08588	22.3
221.06256	9.5
221.08153	2.2
235.09630	81.8
236.10136	2.0
239.07323	11.4
253.10741	16.0
257.08353	9.8
285.07898	12.0
310.11047	3.0
328.12103	14.0
348.90234	2.1
351.22354	2.1
356.11612	14.2
357.09888	4.2
374.12451	15.6
375.12509	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.01857	5.1
57.03420	3.3
61.02910	8.9
62.76134	2.3
65.03928	5.7
69.03423	19.8
71.05013	4.0
73.02878	2.3
78.03451	2.9
81.03404	11.8
83.59973	2.2
84.04504	5.2
85.02896	80.2
86.09688	10.1
91.03953	6.1
91.05473	7.4
93.03399	14.6
97.02887	18.1
99.04395	3.8
106.02874	9.1
109.02866	8.3
111.04436	16.3
114.05499	4.9
119.04897	4.5
121.06515	4.2
124.03962	16.9
125.05986	34.5
127.03915	15.5
130.04987	3.8
145.04947	16.1
147.04425	2.7
148.07581	2.8
149.05974	68.5
153.05458	87.8
177.05479	11.2
180.08681	5.8
195.06512	100.0
196.06769	3.3
198.00986	2.6
208.64667	2.9
212.09268	4.8
268.08035	4.1
293.71680	3.0
331.13580	5.7
374.09235	6.4
374.14688	3.6
375.12549	13.4
375.16650	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.1
61.02905	1.9
69.03414	3.7
70.06570	1.7
71.43636	1.1
73.02888	1.3
79.05496	1.1
81.01068	1.0
81.03406	2.4
83.84021	1.0
85.02892	14.6
87.04469	1.2
89.03913	5.0
91.05463	2.0
97.02900	5.3
97.06523	2.8
99.04429	1.2
109.02877	2.0
117.03374	15.5
127.03944	2.6
133.10149	1.3
134.03583	2.3
135.04402	2.1
137.05960	2.4
145.02829	39.6
145.04945	2.7
147.04352	1.3
149.05992	8.6
150.09032	1.5
152.06981	2.8
154.04997	6.7
155.05357	2.4
156.05438	1.2
163.03912	2.4
177.05441	100.0
178.05777	3.2
180.08623	1.6
194.08095	2.3
195.06494	45.5
222.11272	2.3
278.03638	1.5
279.44803	1.1
346.59677	1.2
374.09180	2.1
374.14243	1.3
374.18604	20.3
375.12320	6.2
375.15909	1.2
375.19885	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
54.58679	0.8
55.01864	4.0
55.12581	0.8
57.03422	3.2
61.02922	2.0
65.03925	2.9
68.99778	1.9
69.03423	15.5
70.70258	1.1
71.04988	2.0
73.02908	1.4
81.03406	12.1
82.03741	1.0
85.02895	42.3
87.00821	17.1
87.45926	0.9
91.05470	100.0
92.05823	2.7
92.60510	0.9
97.02883	13.0
98.22767	1.0
98.23330	1.1
99.04440	5.3
102.71587	0.9
105.01855	26.0
105.07011	1.9
105.57802	0.9
108.04474	2.1
109.02865	13.3
112.44337	1.0
126.05518	1.0
127.03898	30.5
129.01857	1.1
145.04951	15.7
145.06166	1.2
145.06546	1.0
147.02888	1.4
159.02899	5.7
189.03928	2.4
191.26973	1.0
199.07727	0.9
213.04051	0.9
217.08662	1.0
231.04947	7.5
248.07664	1.2
249.06068	2.6
294.34531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
57.03436	2.8
60.32171	0.8
61.51682	0.9
65.03941	2.4
68.10777	0.8
69.03420	21.0
69.28418	0.8
69.66165	3.5
71.04980	3.3
75.15173	0.9
79.05515	1.0
81.03408	12.0
83.01308	1.4
85.02897	18.0
85.03405	0.9
85.06510	1.3
86.09692	4.7
87.00823	12.1
87.04468	1.7
88.39407	1.0
91.05473	100.0
91.42110	0.7
92.05817	2.1
97.02885	32.9
98.22807	1.9
98.23383	1.9
98.97587	1.5
99.04443	10.1
105.01855	9.5
107.04941	1.4
109.02887	3.1
109.10159	0.9
119.08566	1.0
123.04436	2.2
127.03905	33.9
130.04970	1.1
137.05962	6.2
145.02824	0.9
145.04945	23.6
161.05908	1.2
162.06888	0.8
163.07549	0.9
167.07071	1.4
177.05487	1.1
177.09177	1.3
213.03989	1.2
231.04959	15.1
249.06082	4.1
253.14310	1.0
374.18094	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	374.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60669	0.3
55.01831	0.5
66.52349	0.3
69.03357	0.7
70.06490	0.4
71.04893	0.5
73.78377	0.3
81.03367	0.5
85.02810	2.5
87.00737	0.9
91.05476	6.1
97.02810	0.9
98.22701	0.8
98.98450	2.8
99.04375	0.4
103.05403	0.4
105.01762	1.3
109.02794	0.5
109.06404	0.5
118.06538	4.3
119.08550	0.4
124.99989	9.1
127.03909	1.7
131.04826	0.6
132.08110	1.8
133.08777	0.8
137.05899	0.6
144.06964	0.5
144.08066	8.5
145.04942	0.4
145.08478	0.3
146.09561	0.9
149.09488	0.3
151.03839	0.4
151.14189	0.3
152.08278	0.5
155.57385	0.3
158.09648	3.2
159.10335	0.9
160.11171	0.5
162.09087	2.1
163.07434	0.4
172.11223	2.6
176.10733	1.7
176.14330	16.5
177.09123	2.0
177.11403	0.8
177.14679	0.8
181.08553	0.5
189.09117	0.3
190.12265	1.5
193.08510	0.9
194.11772	2.0
202.15880	44.4
203.16263	1.9
207.02887	0.3
211.15149	0.5
220.16934	100.0
221.17276	5.2
231.05090	0.4
268.11755	0.3
285.10944	0.6
297.07727	0.5
300.13522	9.1
311.05481	1.1
313.10422	0.4
314.12292	1.1
315.36456	0.3
325.07010	0.4
326.07977	1.0
329.09903	0.5
342.14209	1.5
351.67355	0.3
356.16241	0.4
357.09686	4.4
374.17490	13.9
375.10400	6.0
375.17841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23927	11.3
55.05507	30.8
67.05487	74.8
69.07060	32.8
71.04977	100.0
71.23464	10.8
71.42879	15.6
72.91904	10.8
79.05486	51.6
81.07043	81.9
83.08617	14.1
91.05473	44.6
93.07012	58.5
95.08608	41.9
97.10164	25.6
101.06024	14.5
105.07030	25.1
107.08573	57.5
109.10158	41.3
121.10139	19.5
125.09636	19.6
131.08603	19.7
132.65016	12.3
133.10121	23.9
135.11708	21.7
140.66753	11.8
149.09598	14.0
149.13246	19.7
159.11697	46.0
173.11731	42.6
173.13150	11.8
177.12752	31.3
187.13293	25.6
199.01558	11.8
203.12704	18.7
209.15369	24.6
215.36810	10.9
219.72604	10.3
241.18011	45.1
275.20093	42.8
289.21457	16.3
298.90076	12.1
344.08414	25.1
351.14743	14.0
374.13147	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	374.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38173	13.3
55.05506	45.8
62.09510	13.9
67.05499	91.5
69.07076	27.1
69.31852	11.4
70.39323	11.1
71.04987	100.0
71.18729	25.6
79.05497	56.2
81.07049	74.6
83.05003	16.2
83.08621	31.4
85.06550	13.1
91.05479	47.5
93.07037	72.6
95.08606	48.3
97.10143	41.9
100.58559	13.4
101.06032	15.8
105.07019	34.2
107.08587	56.0
107.80894	12.7
109.10149	79.1
119.08617	17.6
121.10121	25.3
125.09660	32.8
131.08521	14.8
133.10118	29.3
135.11670	20.6
135.78000	14.2
140.15276	12.3
145.10104	20.3
147.13821	12.6
149.09641	13.6
159.11720	29.9
173.11697	83.4
177.12723	28.1
181.56854	15.5
187.13301	38.5
203.12787	23.2
209.13301	12.6
209.15427	22.3
241.17917	43.8
251.50987	13.2
275.20145	39.9
308.23102	12.6
314.70975	13.1
344.08459	24.4
374.13074	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	374.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
83.49995	47.8
101.90929	46.6
103.09122	50.5
125.09528	58.6
168.37341	51.8
205.14386	53.6
211.05812	51.7
237.04793	58.2
343.93344	58.3
374.13123	100.0
375.21411	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0709
Annotation	Melinervin
Peak:m/z	Relative Intensity
51.54288	0.6
55.01847	0.7
55.05502	1.1
57.07060	0.5
67.05480	1.7
69.03416	1.1
69.07037	0.8
69.66354	1.9
69.66713	0.9
71.04946	0.9
73.77708	0.6
79.05502	2.9
81.03393	0.8
81.07053	3.5
83.04906	0.6
85.02887	1.4
85.06579	0.7
91.05478	2.8
93.07026	1.7
95.04957	1.2
95.08599	3.3
97.02848	0.7
97.06535	0.8
100.07600	0.8
100.40135	0.5
103.05441	0.9
105.07011	3.7
107.08570	1.7
109.02880	1.5
109.06438	0.9
109.10124	1.6
111.08073	0.7
113.12673	0.5
115.05466	1.1
117.07014	1.1
119.04979	0.8
119.08548	1.8
121.06465	0.6
121.10104	1.2
125.09608	0.6
127.03907	0.9
128.06204	1.0
131.04889	1.1
131.08548	0.8
133.06438	1.7
133.10135	1.3
135.08144	0.9
135.11688	0.7
137.05939	1.1
139.49849	0.6
143.08546	1.4
145.06432	0.7
147.07948	0.6
147.11632	0.7
149.06038	0.8
149.09647	0.6
149.13110	0.7
151.03882	1.0
151.07532	2.5
153.05447	0.9
155.04730	0.6
157.06505	0.8
157.10101	0.8
161.05952	2.6
162.06674	1.2
165.12880	0.6
167.07019	3.7
169.10008	0.8
171.04384	1.1
173.09676	0.7
175.07564	1.1
177.09077	13.1
185.13377	0.6
187.03821	1.4
193.08560	6.3
195.10110	1.4
195.11722	0.6
199.03865	1.3
201.01823	0.6
203.03658	0.6
207.11700	0.9
215.03397	2.6
216.03969	0.9
218.02196	1.1
221.11594	0.7
226.02617	1.0
227.03348	1.3
229.01208	0.8
230.05829	0.7
233.04468	1.2
241.01227	1.2
242.01906	0.7
243.02863	3.9
243.06676	0.6
244.03595	1.6
245.04330	1.0
246.01544	1.1
247.02312	0.7
254.02188	0.8
255.02863	1.3
257.00861	2.2
257.04276	0.9
258.05103	1.2
261.03860	2.8
263.14197	0.8
265.08521	0.7
269.00620	0.7
270.01624	1.2
270.05051	0.6
271.02371	5.7
272.03189	1.4
273.03906	0.9
274.00970	2.4
282.01529	2.4
283.02301	2.5
283.99451	1.5
284.02985	0.9
285.00250	3.0
285.03696	1.2
285.10919	6.2
286.01276	1.1
286.04633	1.6
287.01743	0.9
287.05292	1.2
289.03323	1.8
296.03253	0.7
299.01816	13.9
300.02493	3.3
301.03134	1.2
302.00534	5.9
312.02512	1.7
312.99698	3.0
313.03284	2.6
313.10413	3.6
314.04095	4.8
315.01245	1.8
315.04926	5.5
315.08521	1.1
316.02164	0.7
316.05664	0.8
317.02878	12.2
318.03046	0.9
327.01297	2.8
328.02240	2.7
329.03067	2.7
329.09988	0.9
330.00009	5.3
331.04416	1.6
342.03680	10.2
343.00656	0.9
343.04367	7.4
344.05081	2.1
345.02362	42.6
346.02567	2.2
357.09442	1.5
359.03925	0.8
360.04694	30.1
361.05014	1.6
375.06973	100.0
375.10699	19.8
375.26392	4.0
376.06931	5.4
376.10318	1.1
376.11447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
55.05496	1.4
57.03437	0.9
67.05496	2.2
67.36034	0.6
69.03419	1.5
69.07058	0.8
69.29846	2.1
69.30247	1.3
71.04978	2.1
77.78148	0.6
79.05490	3.5
81.03401	2.1
81.07032	3.0
83.08614	0.7
85.02921	1.0
85.06545	1.0
87.04453	1.2
91.05466	4.4
93.07024	3.1
94.04160	1.7
95.04967	4.0
95.08596	2.4
97.02902	1.3
97.06532	1.2
98.22754	1.2
103.05465	11.7
105.04463	1.0
105.07029	6.7
107.04943	2.8
107.08571	2.2
109.02862	2.2
109.06501	1.2
109.10123	1.9
115.05439	2.3
117.06996	2.8
119.04940	1.2
119.08595	2.0
121.06478	2.4
121.10142	1.3
122.03626	3.3
123.04393	2.5
123.08025	1.3
127.03836	0.9
129.06992	1.2
131.04913	20.6
131.08557	1.0
132.05316	0.8
133.06488	4.7
134.06828	0.9
135.08018	1.4
135.11755	0.6
137.05966	31.7
137.09608	1.9
143.05894	0.8
143.08478	0.9
145.03137	0.7
145.06468	1.3
145.10046	1.0
147.04393	1.4
147.08037	0.8
147.11691	1.0
149.05962	2.4
150.06769	0.9
151.03903	2.2
151.07561	3.8
157.10039	1.0
157.60168	0.8
159.11668	1.0
160.05182	1.1
160.40569	0.7
161.05943	4.1
161.09593	0.8
162.06651	0.9
163.03870	0.9
163.07529	13.1
163.11296	1.0
165.05328	1.1
165.09117	3.4
167.07039	11.9
167.08325	0.6
167.14380	0.9
173.02744	0.9
175.07542	1.4
177.09088	26.8
178.06131	0.7
178.09367	0.9
179.07033	1.9
180.07782	1.0
181.08533	3.6
185.09576	0.7
187.07524	0.9
191.07115	1.0
193.08583	25.7
194.09105	0.9
195.10149	3.0
199.07773	0.7
203.06895	0.9
207.10104	1.5
211.07782	0.8
211.09639	2.9
219.08064	0.8
221.11607	1.7
225.09291	0.8
225.11217	2.9
235.07451	1.3
251.06877	0.7
265.08740	0.8
285.10986	6.4
301.14404	1.7
303.11572	0.8
313.10333	4.9
325.10727	2.5
326.11234	1.1
329.09973	1.9
329.13583	0.8
345.13272	0.8
357.09421	1.8
357.13303	4.2
358.13513	1.1
375.10458	100.0
375.18237	2.7
376.10837	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Vladinol D
Peak:m/z	Relative Intensity
50.01602	1.1
53.03939	1.7
55.01865	7.2
65.03941	6.8
67.05496	3.8
69.18013	6.4
71.01357	6.3
77.03983	1.6
78.92449	1.0
79.05486	12.2
81.03400	5.5
81.07039	2.3
90.43403	1.2
91.05471	78.0
92.05797	1.8
93.03398	3.0
93.07039	3.8
95.04955	10.0
98.22809	4.7
98.23509	2.0
103.05460	7.7
105.03388	20.6
105.04510	2.0
105.07023	15.0
107.04938	11.0
107.08601	1.6
108.02097	4.2
108.05763	2.1
109.02853	1.9
109.06511	16.1
111.04456	2.5
115.05460	3.0
117.07016	2.9
118.04161	7.0
119.04932	96.2
119.08552	1.4
120.05264	1.4
121.06514	6.3
122.03635	2.1
123.04421	4.6
123.08033	8.2
124.05188	8.1
125.05981	6.7
128.06203	1.5
129.06992	2.7
131.04916	6.0
131.05959	2.2
133.02823	1.7
133.06477	14.1
135.04417	7.1
135.08049	3.8
136.05148	1.8
137.05966	22.6
137.26817	1.2
141.05461	2.5
143.04948	1.2
143.06015	1.6
143.08470	1.5
144.05681	1.2
145.06474	2.1
146.03673	2.7
147.04381	21.2
147.08070	2.2
149.05989	4.8
150.06720	5.2
151.03897	100.0
151.04988	9.0
151.07523	65.0
152.04277	3.2
152.08096	1.8
153.05466	10.3
157.06490	2.1
159.08017	1.9
161.05957	19.1
162.06767	2.2
163.03906	4.3
163.07333	1.3
165.05443	7.4
167.07033	10.7
167.08330	1.4
174.51053	1.1
175.07513	7.4
177.05574	6.6
177.09088	60.4
178.06245	21.9
178.09470	2.4
179.07011	29.9
180.07751	5.0
187.07524	8.0
193.08571	29.2
195.06493	5.9
195.10129	4.0
196.07263	12.4
203.06960	2.9
203.10664	1.9
205.08495	6.2
215.07115	1.7
219.08115	1.5
221.11720	3.5
223.09598	1.2
241.03743	1.3
243.06596	1.8
251.10632	2.1
279.10052	1.4
311.12787	1.3
321.46884	1.4
325.10614	1.3
327.12436	1.7
339.12442	1.2
357.13364	2.6
376.25858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1435
Annotation	epi-Isohydroxymatairesinol
Peak:m/z	Relative Intensity
55.01855	29.3
62.61031	6.2
67.05516	5.3
73.63914	5.2
79.05489	10.7
81.03406	11.4
81.07008	6.4
91.05473	12.4
93.07008	9.0
95.04972	13.5
95.08601	6.5
100.11222	7.9
103.05473	18.4
105.07017	11.6
107.04939	15.6
109.02869	7.6
111.04451	30.1
115.05422	8.6
119.04916	10.1
121.06512	6.6
129.06990	10.8
131.04922	18.6
131.08632	5.9
135.00575	6.2
135.04420	13.3
135.08038	5.7
137.05940	55.4
139.03885	15.3
149.05959	6.5
151.03914	10.3
151.07655	7.7
153.05423	27.0
157.05054	7.6
157.06454	11.7
161.05975	8.3
163.03914	29.2
163.07579	17.7
165.06932	8.1
167.03400	45.1
167.07068	24.6
175.07515	13.0
177.05591	8.3
177.09090	16.7
179.08470	7.0
187.07495	14.4
189.09035	9.9
189.66463	6.2
195.06535	67.9
195.08109	9.5
209.09569	9.4
213.09018	9.0
217.08636	11.4
219.07961	10.2
222.06659	5.8
223.07495	9.8
225.09134	14.0
234.06757	6.4
235.07471	11.2
237.08986	8.1
239.07030	8.5
239.10634	20.0
243.10158	6.4
247.07607	11.6
249.09094	10.8
251.06985	7.1
265.08707	8.0
267.10147	21.9
279.10107	8.2
283.09613	11.3
297.11301	11.1
311.12793	7.2
325.10547	10.4
327.12537	6.8
329.13809	100.0
347.14804	9.6
357.13235	79.7
358.13708	7.9
375.14249	24.5
375.26685	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	375.18
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
51.75317	0.5
53.03934	0.7
55.01859	1.5
55.05492	0.6
63.58593	0.6
66.04707	1.2
67.05495	1.7
69.03418	1.2
69.07855	4.6
71.04965	1.4
77.03858	0.7
79.05484	4.8
81.03400	0.9
81.07043	1.6
91.05466	6.6
93.07025	2.1
94.04170	4.1
95.04965	2.3
95.08563	0.9
97.06532	0.9
97.10143	0.6
101.05962	0.7
103.05455	34.2
104.05759	0.9
105.03383	0.7
105.07012	7.5
107.04950	2.4
107.08557	0.8
109.02877	1.7
109.06512	2.5
115.05454	2.2
117.06994	2.0
118.04172	1.7
119.04913	1.9
119.08560	1.6
120.05753	1.2
121.06504	5.7
122.03639	8.7
123.04415	1.4
123.08036	1.4
131.04910	57.2
132.05229	1.2
132.49767	0.7
133.06476	7.2
134.03595	0.7
135.04433	1.8
135.07997	2.2
136.05162	0.7
137.05959	100.0
138.06345	2.3
145.06482	1.3
145.10068	1.0
147.04420	1.6
147.08015	2.2
148.05147	0.9
149.05959	6.1
150.06721	4.0
151.03926	1.2
151.07565	4.5
160.05154	0.8
161.05984	5.2
162.06665	1.0
163.07520	51.3
164.04706	0.9
164.07895	1.9
165.05434	1.9
165.09138	7.2
166.06204	1.3
167.07040	6.0
175.07533	2.1
177.05522	0.9
177.09076	17.1
177.10539	1.1
178.06253	1.6
178.09424	0.8
179.07007	2.6
181.08571	12.8
181.10101	1.0
191.07031	0.8
192.07706	1.6
193.08577	62.4
194.08913	3.3
195.10184	3.7
195.13765	0.7
205.08694	0.9
207.10097	5.8
211.09602	13.3
221.11612	0.7
225.11183	11.7
253.42244	0.6
267.69058	0.6
271.39182	0.7
285.11011	1.1
315.12497	0.7
329.13562	1.5
343.15012	1.9
357.16824	0.9
375.10321	6.5
375.17886	1.7
375.26465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25258	0.5
54.38077	0.7
55.01868	0.7
58.51442	0.5
61.88420	0.5
64.16392	0.5
67.05506	0.8
69.38607	2.6
69.72470	0.5
79.05478	2.2
79.92242	0.5
81.07037	0.8
91.05474	3.4
91.06593	0.5
93.07033	1.6
95.04967	1.1
101.52994	0.6
103.05434	1.6
105.03390	0.5
105.07013	11.3
107.04917	0.9
107.08559	0.9
109.06500	0.8
115.05450	2.7
117.07017	2.9
119.04919	1.8
119.08485	0.7
121.06479	2.3
123.04382	1.5
123.08057	2.5
133.06470	8.6
133.10091	0.8
133.38116	0.7
135.08037	0.9
137.05952	1.8
143.06044	0.7
143.08568	1.0
145.06439	0.9
145.10117	0.6
147.07974	0.8
149.09599	0.7
151.07527	10.2
160.05241	0.8
161.05965	8.0
162.06694	2.5
167.07019	14.9
168.07449	0.7
171.08060	1.1
173.09554	0.7
175.07567	2.1
177.09088	100.0
178.06206	0.6
178.09459	4.8
189.09189	0.5
193.08580	40.6
194.08936	1.0
195.10147	6.9
203.10664	2.1
221.11674	7.1
229.12285	0.9
266.44479	0.6
273.30865	0.6
311.20026	0.7
339.19635	0.7
357.20618	1.1
375.21567	2.7
376.17392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55357	0.4
53.03924	0.5
55.01859	1.1
62.31524	0.4
64.05435	0.4
65.03924	0.8
67.05501	0.7
69.62099	0.4
70.67809	0.6
71.67970	0.4
77.03945	0.5
78.04709	0.7
79.05486	2.7
81.03403	1.5
81.07018	0.5
91.05468	9.5
93.07024	1.2
95.04951	1.9
103.05451	1.2
105.03378	2.6
105.04527	0.6
105.06342	0.9
105.07012	10.4
105.09073	0.5
107.04946	1.7
109.06499	1.7
115.05427	3.5
117.07004	3.6
118.04132	1.2
119.04932	11.6
120.05323	0.6
121.06496	2.3
122.03681	0.4
123.04413	1.8
123.08057	3.1
124.05181	1.2
125.05961	0.6
128.06206	1.3
131.04900	1.3
132.05714	0.7
133.06480	11.0
135.04427	1.1
135.08026	1.4
137.05992	4.1
143.04936	0.7
143.05981	0.7
143.08536	1.1
145.06442	1.4
147.04387	1.9
147.07961	1.0
149.05960	1.5
149.09593	1.0
151.03894	12.0
151.04964	1.3
151.07509	16.0
153.05417	1.1
160.05197	0.7
161.04695	0.8
161.05954	9.9
162.06732	3.8
165.05354	0.6
167.07008	11.8
168.07507	0.7
171.08032	1.2
175.07559	3.3
177.09084	100.0
178.06180	3.3
178.09445	4.2
179.07007	3.3
187.07504	1.1
189.09180	0.7
193.08577	38.1
194.08838	1.1
195.06511	0.8
195.10133	6.4
196.07320	1.3
203.07011	0.9
203.10637	1.2
205.08505	0.9
221.11650	5.6
222.11998	0.5
250.81441	0.5
286.08810	0.6
331.33206	0.5
357.13092	1.1
357.17136	0.6
375.14331	0.9
375.26971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01870	1.0
55.05501	1.3
67.05503	2.0
69.03419	1.1
69.07072	1.6
69.11274	4.9
71.04997	0.9
74.25314	0.8
77.74567	0.8
79.05480	4.6
80.37900	1.0
81.03418	1.2
81.07050	2.9
82.90233	0.8
83.04976	2.5
85.02929	1.1
85.06529	3.0
91.05470	4.9
93.03355	0.9
93.07033	2.0
95.04960	2.3
95.08610	2.4
99.08073	0.9
103.05457	3.2
105.07026	11.3
106.70707	0.7
107.04942	1.1
107.08584	2.3
109.02882	1.5
109.10152	2.4
111.04433	3.8
115.05459	3.0
117.06979	4.1
119.04947	1.8
119.08563	1.4
121.06491	1.8
122.09658	1.5
123.04420	2.0
123.08051	2.5
124.03908	0.8
127.03967	0.8
128.06267	0.9
131.04909	2.4
132.05742	1.2
133.06462	10.1
135.08038	2.0
135.11681	1.0
137.05968	2.6
143.06075	1.0
143.08553	2.7
145.06465	1.9
145.10103	1.4
147.07945	1.2
149.09621	1.6
151.07535	10.1
153.05457	2.9
157.10065	0.9
159.11668	1.3
160.05157	1.1
161.05949	8.4
162.06747	4.1
167.07018	16.3
167.08418	0.6
171.08121	0.9
173.89056	0.9
175.07521	2.9
175.11287	1.1
177.09093	100.0
178.06105	1.2
178.09462	3.7
181.06543	1.1
193.08582	39.7
194.08890	1.6
195.10158	6.9
195.11650	1.1
203.10608	1.6
221.11632	4.6
227.56174	1.0
251.14247	0.9
285.10965	8.8
313.10416	5.1
329.09824	2.0
329.13577	0.8
357.09427	1.5
357.13284	1.0
375.10455	53.0
375.14389	2.0
375.19821	9.7
375.26736	3.9
376.10846	4.6
376.17114	4.4
388.02353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05495	2.0
59.83912	0.8
63.58735	0.9
67.05500	1.9
69.03429	1.2
69.07072	1.5
79.05492	4.3
81.03402	1.2
81.07043	2.5
83.04999	1.1
84.00510	0.9
85.06525	1.9
91.05485	5.6
93.07038	2.1
95.04957	2.2
95.08595	1.6
97.10169	1.4
103.05492	1.6
105.07019	13.3
107.04945	1.3
107.08606	1.7
109.02862	1.8
109.06509	1.5
109.10097	1.3
111.04436	3.0
115.05432	3.0
115.28872	0.9
117.06998	4.7
118.04156	1.1
119.04956	2.5
119.08584	1.7
121.06487	2.9
121.10144	1.2
123.04430	2.2
123.08053	2.3
128.06206	1.4
131.04884	1.4
131.08566	1.4
133.06483	9.5
133.10258	0.9
135.04358	1.0
135.08014	1.5
137.05942	1.6
143.08540	1.3
145.06468	1.7
151.03922	1.3
151.07535	11.3
153.05409	2.3
160.05177	1.1
161.05984	8.3
162.06747	3.5
167.07025	13.9
167.08351	1.6
171.08110	1.4
174.86546	0.9
175.07541	3.3
177.09093	100.0
178.09421	3.5
193.08588	37.5
194.08978	1.2
195.10153	6.7
203.10661	1.9
203.16005	1.0
221.11665	4.9
285.10962	3.5
302.28653	0.9
313.10461	2.8
343.12952	1.1
357.09332	1.4
375.10471	19.7
375.14514	1.0
375.19858	12.8
375.26697	4.5
376.10345	2.0
392.37201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1989
Annotation	Ala Glu Arg
Peak:m/z	Relative Intensity
52.05949	0.2
56.96554	0.4
60.54749	0.3
67.25764	0.3
70.34769	0.7
72.95876	0.3
85.02909	1.0
95.76340	0.3
105.07008	0.4
109.02991	0.3
114.05521	0.4
116.45856	0.3
119.08613	0.3
122.81353	0.3
137.05968	2.4
145.04945	0.3
158.62492	0.3
177.05519	0.4
179.07013	0.9
185.04289	0.4
213.07315	4.7
213.11324	0.4
214.05278	0.3
237.00768	0.3
255.01776	0.3
273.02808	0.5
331.13641	2.4
375.12976	5.9
375.19864	100.0
376.20236	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50956	2.1
55.01870	2.3
55.05507	6.2
56.05030	2.6
57.03409	1.8
67.05492	2.2
67.45588	1.7
68.05021	6.8
69.03428	22.9
70.06596	2.7
70.74517	2.8
71.04996	3.2
72.08135	7.2
79.05483	4.3
79.88818	1.8
81.03399	15.1
81.07047	5.7
84.04500	48.7
85.02888	11.0
86.06046	3.8
91.05465	4.8
93.07014	3.0
94.04250	2.0
96.04464	3.7
98.09702	12.3
99.04459	12.7
102.05543	4.0
103.05476	3.2
105.07026	4.0
107.04943	2.2
107.08608	3.0
109.02862	2.7
110.09679	8.8
114.05526	29.9
119.04918	2.9
119.08595	2.5
121.06466	2.8
122.03619	3.2
125.06010	2.8
127.03910	49.1
130.04988	69.9
131.04947	5.2
137.05975	32.5
138.09113	10.6
142.04980	35.7
142.05995	3.2
147.04410	6.1
148.47012	1.9
149.05927	4.2
149.09605	2.4
151.07487	2.0
153.05444	3.4
155.11794	8.6
156.10136	3.9
161.05969	11.6
162.06792	2.7
167.07051	8.6
175.07533	3.8
177.05537	2.3
179.07011	3.5
181.13364	5.7
184.09673	55.0
184.11249	3.1
191.07056	4.5
199.14439	2.2
201.12328	100.0
202.12695	3.2
203.07050	5.0
205.68057	1.8
210.11293	2.2
213.09438	1.9
213.11252	5.6
221.08128	5.9
227.13870	16.9
233.08031	2.2
245.14992	16.2
265.08582	2.4
295.09656	2.2
299.16223	3.2
325.17526	2.0
331.13623	15.1
343.11646	10.2
343.18518	2.5
375.12488	37.6
375.16327	19.1
376.12814	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	375.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01860	1.2
55.05515	5.0
56.05032	2.4
61.65445	0.7
68.05032	4.3
69.03421	18.6
70.06585	2.2
71.04991	1.8
71.42842	0.9
72.08163	4.6
79.05485	1.3
81.03409	10.4
81.07046	4.9
82.06553	1.3
84.04497	45.1
85.02901	5.9
85.06039	1.2
86.06061	2.7
86.09687	1.9
91.05470	1.0
93.07066	0.9
96.04482	3.4
97.02952	0.9
98.06030	1.7
98.09681	14.1
99.04444	12.7
101.07137	1.6
102.05527	4.2
107.08641	0.9
109.02805	0.8
110.06065	1.1
110.09670	5.7
112.07642	0.8
113.09663	1.1
114.05514	28.3
116.07104	1.7
127.03882	1.3
127.08684	1.2
130.04988	65.9
133.02835	1.5
136.11166	1.7
137.05934	1.4
138.09117	10.8
142.04982	31.7
149.06004	0.9
155.11761	6.8
156.06619	0.8
156.10147	3.8
164.10654	1.1
166.08537	1.1
168.06551	1.3
181.13356	4.6
184.09676	55.4
185.09962	1.0
199.14490	1.9
201.12321	100.0
202.12695	2.5
210.11285	3.5
213.15924	0.9
214.10706	2.2
227.13879	20.4
238.80457	0.8
245.14946	14.3
289.12418	1.8
299.16019	3.4
325.17551	1.5
331.13602	7.8
343.18445	2.5
375.12433	22.8
375.16425	5.4
376.12979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2375
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03930	2.8
53.26803	1.3
53.94349	1.4
55.01866	6.6
55.05504	22.1
57.03429	10.6
57.07058	5.5
58.48204	1.4
59.04976	4.5
61.02926	11.2
67.05506	14.3
69.03063	2.5
69.03423	42.7
69.03801	2.9
69.07059	54.4
70.07389	1.3
71.04987	9.0
71.42951	1.5
73.02899	5.9
79.05466	6.8
81.03410	16.9
81.06579	1.8
81.07047	32.4
83.04972	9.9
83.08603	12.8
85.02895	100.0
85.06534	26.1
86.03228	2.8
87.04447	5.6
91.03929	4.6
91.05451	4.1
93.07043	15.7
95.04943	4.6
95.08593	48.9
97.02879	27.7
97.06520	6.6
97.10162	12.1
99.04452	4.8
99.08086	27.1
105.07007	4.6
107.08585	27.4
109.02876	12.3
109.10142	18.8
111.08049	4.8
111.11710	9.7
113.09627	10.4
115.03925	1.6
118.04139	1.4
119.08582	3.1
121.10138	41.8
123.04404	1.5
123.11710	9.0
125.09624	8.7
127.03903	19.7
127.11191	2.7
135.11682	20.0
137.05927	2.1
137.13242	21.3
139.11148	7.9
145.04924	16.9
149.13228	5.7
151.07527	1.7
151.14795	6.2
153.12729	12.6
161.05992	1.6
167.07019	2.0
177.09070	5.4
177.16360	99.7
178.16736	5.3
193.08575	2.4
195.17432	47.1
196.17696	2.9
199.81860	1.6
213.09084	2.9
213.18462	50.3
213.20538	2.4
214.18869	3.5
224.45483	1.3
253.08380	2.0
273.89719	1.5
285.10809	6.9
313.10406	4.0
357.09393	4.3
375.10535	20.6
375.14761	1.6
375.23676	6.3
376.10739	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	375.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.2
67.05510	15.9
68.32561	5.2
69.03420	11.3
69.07069	15.0
71.43762	6.0
79.05471	8.4
81.07044	18.2
83.04962	5.4
83.08608	6.6
84.50719	5.6
85.02919	10.6
85.06532	7.7
89.70101	5.3
91.05477	15.8
92.51603	4.6
93.07050	15.4
95.04997	7.8
95.08611	24.8
97.02924	13.6
97.10210	4.9
99.08078	7.8
105.07069	9.8
107.08566	22.8
109.02880	5.9
111.08102	7.9
119.08580	10.3
121.10141	39.9
123.08045	6.1
123.11698	13.5
124.07639	5.4
125.09646	5.5
131.08542	6.2
133.10101	9.9
135.11703	9.8
137.05962	14.0
138.09088	5.2
159.11726	6.3
162.02206	5.6
167.07039	7.7
177.16370	60.2
178.12074	4.8
195.17445	11.1
209.63788	4.5
213.09177	6.1
214.14310	17.5
256.61945	5.0
265.23209	5.1
276.31607	4.6
298.07394	5.0
343.09222	6.6
375.10458	100.0
375.15927	19.8
376.10532	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	376.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.7
59.75057	0.9
63.41032	1.0
70.06593	10.8
70.33505	1.9
70.43180	1.0
81.07044	1.8
83.01333	1.6
84.04430	1.5
85.02910	1.4
86.09715	2.0
91.05460	1.7
93.07011	1.4
95.04963	2.9
95.08588	1.4
97.75932	1.1
98.23093	2.1
105.07018	1.2
107.04943	4.3
107.08600	1.3
116.07064	2.0
117.07018	5.4
119.04918	1.2
121.06501	2.8
128.06209	1.4
135.04416	5.1
135.08043	4.9
136.07547	4.3
137.05963	3.6
139.03885	22.1
141.90952	1.0
145.06429	4.2
147.04416	2.4
149.05969	2.4
151.03925	3.0
151.07550	2.1
153.05379	1.1
161.05974	1.7
163.03903	8.0
163.07533	17.2
165.05457	2.1
173.05945	7.6
175.07573	1.4
177.05537	1.3
177.09048	7.9
179.03442	1.6
179.06998	7.8
181.04976	3.0
190.08609	14.0
191.07018	58.0
192.07242	2.2
203.07039	2.2
207.06477	2.6
207.10133	1.5
208.09666	100.0
209.09991	3.7
213.12416	1.4
224.09111	2.5
233.12938	1.2
261.12289	2.2
313.42407	1.1
341.10126	4.4
358.12863	3.7
359.11182	3.5
376.09271	1.5
376.13809	26.8
377.08810	1.6
377.13934	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
56.96551	2.1
57.03417	4.5
61.02916	5.2
69.03426	10.8
69.37758	8.3
70.06573	3.7
72.82041	1.4
73.02900	1.8
79.05476	6.8
81.03407	4.4
85.02897	39.8
87.04488	1.5
91.03947	3.5
91.05479	18.8
95.04961	2.7
97.02888	12.2
98.22682	3.5
107.04947	15.1
109.02870	3.8
119.04924	41.9
121.06493	8.9
122.34175	1.8
127.03922	8.0
135.04414	25.6
137.05968	28.8
145.04959	10.4
147.04391	78.5
148.04730	1.5
149.05949	12.6
151.07520	6.3
161.05956	1.9
163.07504	2.0
167.07028	46.8
168.07382	2.3
172.95276	2.0
175.07607	1.6
177.05476	2.3
179.07021	100.0
180.07303	3.3
191.07109	2.2
197.08012	1.8
199.46153	1.5
201.49341	1.6
229.08607	1.9
242.05666	1.5
260.87201	1.7
311.11243	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57495	3.4
55.01873	8.9
55.05503	11.4
58.99575	5.8
65.03910	4.1
67.05502	42.8
69.03426	13.2
69.07070	8.8
70.02927	3.5
71.04987	86.6
71.15183	3.9
74.06052	2.9
76.02220	6.8
79.05484	63.9
80.05812	3.0
81.03416	8.3
81.07053	49.3
83.04962	17.8
83.08623	3.5
85.01100	5.6
85.02925	3.2
85.06543	11.0
86.09711	3.0
86.12643	3.1
86.99058	6.5
87.02691	23.8
88.03982	44.6
91.05470	100.0
93.07034	57.1
95.04961	14.7
95.08604	21.6
95.15833	2.9
97.06524	24.4
98.22912	4.6
105.00088	7.2
105.04539	3.4
105.07018	65.9
107.04973	6.5
107.08583	28.1
109.06515	11.2
109.10158	5.3
111.04437	16.4
111.08075	4.1
111.49992	3.5
113.04233	9.1
115.03880	2.9
115.05470	9.6
117.07013	49.1
119.08560	36.3
120.08185	3.3
120.29365	2.9
121.06500	7.2
121.10125	9.9
122.02702	12.3
123.08086	9.2
123.11710	4.2
125.05991	5.4
125.09567	3.4
129.05484	28.3
129.06987	12.9
131.05199	10.3
131.08548	58.6
132.05318	3.4
132.08890	4.5
133.06543	7.6
133.10126	31.0
134.06830	4.3
135.08029	6.8
135.11702	18.3
137.05971	12.8
137.09605	6.8
138.06384	4.0
141.07018	5.8
143.08501	5.2
145.06500	5.9
145.10115	21.7
147.08063	5.0
147.11685	17.6
149.06039	3.4
149.09628	5.5
149.13251	10.3
151.03888	7.2
151.07555	5.6
151.11145	4.0
155.07144	6.8
155.08607	9.8
156.29764	2.9
157.10147	14.3
159.08072	8.6
159.11674	83.5
159.12932	4.4
162.06445	3.9
163.07524	7.3
165.05455	3.1
165.09065	3.4
167.07042	8.1
168.07352	5.1
168.09409	4.6
171.11624	4.9
173.13255	23.3
177.09096	34.3
177.12711	19.4
178.09457	38.5
183.11647	15.6
193.08636	19.7
194.08932	16.1
199.11269	3.6
201.12708	25.2
219.13725	28.7
237.14822	15.4
253.12587	6.8
255.15958	7.6
269.12051	11.5
271.13519	17.4
289.14597	16.8
295.13751	4.3
313.14728	10.1
341.14114	11.2
353.26559	4.2
358.09839	9.2
359.15137	27.6
376.10718	6.2
376.17914	54.0
377.11890	6.2
377.18478	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	376.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
61.02921	1.2
67.10740	0.7
69.03411	3.0
71.68989	0.9
79.05462	1.6
79.58505	0.8
81.03403	1.1
81.07030	1.1
81.49483	0.8
85.02898	11.2
91.03932	0.7
91.05478	3.1
93.07009	1.3
95.08595	1.0
97.02858	2.5
97.06533	1.2
103.05392	0.9
105.07088	1.0
107.04922	1.2
107.08553	0.9
108.05721	1.0
109.06506	1.6
117.06976	1.3
121.06499	3.2
124.05173	0.8
127.03927	1.2
131.08568	1.1
135.04388	1.1
136.05203	1.8
137.05862	1.6
138.06743	2.5
139.07550	1.1
143.08545	1.2
145.04887	1.7
147.08029	2.3
148.08801	4.5
151.07526	100.0
152.07875	4.5
159.11621	1.1
163.07536	1.0
164.08315	4.6
179.10654	56.0
180.10995	2.7
183.11723	0.8
185.13162	1.0
187.11041	0.9
197.11710	42.9
198.12030	2.2
205.39455	0.9
211.76422	0.8
231.13704	1.5
301.17902	1.3
341.21185	0.9
359.22043	2.1
377.23114	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03619	0.1
57.07072	42.1
58.07405	0.6
80.04997	0.2
82.14748	0.1
84.08144	0.3
87.04477	0.2
98.22597	0.2
99.49654	0.2
102.09205	0.3
108.04479	0.7
124.08727	0.7
125.07101	5.1
126.05492	4.2
134.07155	0.4
135.05544	0.4
136.03938	0.2
162.48817	0.1
167.25133	0.2
174.09059	0.2
176.33188	0.2
191.11743	1.2
192.10190	0.3
198.39052	0.2
208.14426	2.2
209.12830	12.3
210.11273	1.4
210.13194	0.5
215.20184	0.2
218.12878	5.4
219.11243	3.1
232.64134	0.2
259.16977	0.2
260.15228	1.1
274.19086	0.6
275.17520	8.2
276.17770	0.4
292.20148	9.7
293.18448	6.8
294.19006	0.4
302.18588	16.7
303.18893	0.9
343.22467	0.5
358.24875	1.3
376.25897	100.0
377.26230	7.8
394.26941	4.3
395.27286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19676	0.4
56.96284	0.6
56.96562	10.0
60.17721	0.4
67.99435	0.4
68.13370	0.4
70.56177	1.0
77.83477	0.4
81.03358	0.4
84.96025	1.7
95.22373	0.4
98.97573	100.0
99.97914	1.1
110.97559	9.2
112.99120	1.3
116.98609	36.2
124.99151	0.5
128.98582	8.0
130.93292	0.5
131.00156	1.1
134.99646	8.2
135.04456	0.5
139.03915	0.5
140.00153	0.8
142.21164	0.4
143.00139	2.6
146.99625	3.3
149.04868	0.8
153.00679	0.6
154.93294	2.3
155.00179	1.0
158.99637	18.1
161.01175	2.1
163.03889	1.0
170.99596	1.6
172.94319	3.2
173.01164	2.5
177.00687	12.2
178.99992	0.5
189.00684	1.2
190.95404	1.7
191.02263	1.9
195.01674	0.8
196.94348	1.6
197.01192	28.9
198.01506	0.8
201.00656	1.4
208.94249	0.6
209.01239	0.6
214.95390	7.5
215.02249	50.2
216.02550	1.0
219.01733	11.1
226.95476	1.4
227.02321	0.7
232.96425	13.1
233.03284	6.9
237.02789	13.6
238.03770	0.9
240.96941	0.6
244.96440	1.3
250.97466	2.5
253.07506	1.5
256.96414	2.3
257.03302	37.8
258.03699	1.3
258.97958	1.0
268.96454	1.7
269.03397	0.5
271.08463	0.9
273.02686	0.5
274.97470	5.2
275.04501	0.7
279.05347	0.7
286.97470	8.7
287.04037	0.5
292.98630	1.5
297.06534	2.6
304.98483	2.5
305.05276	0.8
316.98679	0.6
317.05396	10.8
318.05875	0.7
334.99847	0.9
335.06430	23.9
336.06720	0.7
353.00653	1.2
370.92035	0.7
377.00916	0.6
377.07507	2.6
395.01553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53983	3.7
55.01869	5.1
55.05509	22.7
65.94862	3.8
67.05497	29.3
69.03416	7.1
69.07054	23.8
70.49138	6.9
71.04970	9.8
79.05487	23.7
81.03404	7.2
81.07045	76.9
83.04971	10.4
83.08617	17.6
84.97131	3.6
85.02898	11.8
85.06538	15.9
86.08950	3.9
91.05468	23.1
93.07047	27.9
95.04971	4.6
95.08599	91.9
97.06519	14.6
97.10098	6.3
105.07030	37.0
107.08607	7.6
109.06487	5.1
109.10129	7.7
117.06992	7.6
119.08562	42.6
121.10111	13.3
123.08051	8.1
131.08511	4.4
133.10112	26.8
135.11676	22.3
137.09666	4.5
137.13237	13.2
145.10112	6.9
147.08012	4.3
157.10179	4.8
158.11018	4.7
161.13249	100.0
171.11739	5.2
173.11771	5.1
179.14284	90.6
197.15390	24.6
305.17166	5.9
323.18393	6.6
359.26791	5.5
377.11557	5.3
377.28281	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	377.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.4
67.65907	1.2
70.80667	1.8
73.56675	1.1
93.07014	1.1
95.08577	1.6
98.22826	1.6
105.07079	1.3
169.57971	1.3
215.02150	1.2
236.05254	1.3
270.45401	1.5
274.86087	1.3
315.22949	11.1
332.00247	1.2
359.22070	13.7
359.26276	2.1
377.22961	100.0
378.23361	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	377.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.0
57.07070	100.0
58.07408	1.4
59.23711	0.9
67.65430	0.8
69.07060	6.3
70.06587	2.2
71.08624	83.9
72.08977	1.0
73.02878	0.9
73.06550	2.3
73.50584	0.9
74.08158	0.8
83.08597	2.5
85.10175	50.0
87.04435	2.8
89.06022	87.1
90.06354	1.1
97.10163	2.7
98.22891	4.6
99.11726	5.6
105.00082	1.4
106.58083	1.0
107.07063	6.3
111.11694	2.1
113.13273	4.0
115.08690	2.2
119.01570	2.3
125.13244	1.6
127.14815	3.6
130.08629	2.0
133.08592	36.0
133.65979	1.0
151.09628	6.3
177.11201	7.3
195.12253	35.4
196.12575	1.4
221.13417	1.0
246.92073	1.0
377.32745	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	378.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31422	5.4
50.33575	5.1
55.81249	5.4
61.53770	6.0
69.76123	14.5
71.19804	5.5
71.43733	5.1
85.02896	20.8
95.04961	24.1
99.73750	5.9
110.03603	5.7
123.04420	12.5
140.04668	100.0
155.07014	45.4
181.04955	10.8
199.05980	99.9
255.01573	9.0
306.45007	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	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04528	4.1
55.01871	7.3
55.58671	4.6
56.96563	4.3
58.15115	4.3
61.35990	3.8
66.04313	4.0
69.03424	11.6
69.95097	8.2
70.06593	9.0
78.88356	4.3
79.05448	6.0
81.07058	4.8
83.04967	5.7
85.02890	30.5
85.06545	12.6
86.00641	19.5
89.15733	4.1
91.05497	7.8
93.07045	5.8
97.02882	7.5
103.05474	6.6
107.04941	6.1
107.08566	4.8
109.02859	8.9
112.02193	15.2
112.99675	4.3
121.06476	17.1
123.04405	4.3
127.03908	9.5
130.03224	9.7
132.01149	16.3
137.05965	27.6
137.09151	4.1
140.07074	4.1
140.96602	4.2
141.05585	3.9
145.04880	6.7
148.23196	4.2
149.05965	37.3
151.07524	5.9
153.05455	100.0
181.08569	46.6
199.09637	85.6
231.06348	5.6
247.06140	5.7
259.05975	5.1
301.07056	18.3
342.06442	17.0
343.08032	4.6
361.09042	4.5
379.00931	11.9
379.13760	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	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19384	0.9
69.18245	3.8
69.18650	1.6
85.02897	6.2
95.04955	1.7
97.02889	1.6
106.13771	0.9
115.74823	0.9
122.03637	3.2
137.05960	100.0
138.06279	3.0
140.04672	5.4
147.04453	0.9
149.01389	0.9
153.01758	1.2
155.07040	1.3
163.07492	2.6
181.08585	9.6
199.06004	3.9
233.02478	1.3
247.09674	1.0
342.53964	1.1
379.10251	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	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04528	4.1
55.01871	7.3
55.58671	4.6
56.96563	4.3
58.15115	4.3
61.35990	3.8
66.04313	4.0
69.03424	11.6
69.95097	8.2
70.06593	9.0
78.88356	4.3
79.05448	6.0
81.07058	4.8
83.04967	5.7
85.02890	30.5
85.06545	12.6
86.00641	19.5
89.15733	4.1
91.05497	7.8
93.07045	5.8
97.02882	7.5
103.05474	6.6
107.04941	6.1
107.08566	4.8
109.02859	8.9
112.02193	15.2
112.99675	4.3
121.06476	17.1
123.04405	4.3
127.03908	9.5
130.03224	9.7
132.01149	16.3
137.05965	27.6
137.09151	4.1
140.07074	4.1
140.96602	4.2
141.05585	3.9
145.04880	6.7
148.23196	4.2
149.05965	37.3
151.07524	5.9
153.05455	100.0
181.08569	46.6
199.09637	85.6
231.06348	5.6
247.06140	5.7
259.05975	5.1
301.07056	18.3
342.06442	17.0
343.08032	4.6
361.09042	4.5
379.00931	11.9
379.13760	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	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.6
69.03430	1.7
70.06583	1.9
70.29613	3.3
81.03405	2.0
85.02903	7.5
97.02918	1.9
98.23419	2.0
103.05455	1.5
136.07565	1.6
137.05960	100.0
138.06326	3.4
151.07547	1.9
163.07617	2.5
177.09123	2.2
181.08646	10.6
194.63002	1.5
269.03619	1.6
290.82031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03910	2.5
56.96567	4.7
75.68665	2.1
82.49375	2.4
85.02897	4.4
91.05481	12.7
94.04234	2.7
98.97557	5.6
107.21978	2.2
116.98631	4.3
119.04921	23.2
122.03640	3.3
131.04909	7.2
133.06435	2.9
137.05963	100.0
140.04684	5.1
151.07521	36.3
153.01794	2.9
156.03329	3.7
163.07549	4.2
174.04333	3.6
181.08577	80.1
182.08966	3.8
199.06023	4.1
204.05266	2.7
336.10809	2.7
367.10309	6.4
379.10355	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	378.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29338	4.4
55.05515	6.1
57.37523	5.1
59.51118	4.7
67.55512	4.7
69.85053	15.4
72.42188	4.6
74.06081	10.9
81.03429	5.2
81.07055	13.0
85.02904	6.5
91.05513	25.4
91.05996	5.0
92.66367	4.6
95.04958	6.6
95.08589	7.2
97.02887	5.1
103.05473	6.4
105.07031	9.1
107.04966	19.8
109.06551	7.0
109.10167	4.9
119.04959	18.6
121.06485	8.7
129.06955	9.0
131.04892	10.3
131.08553	6.5
132.85173	4.3
133.06500	7.5
135.07999	6.2
136.07553	13.4
137.05952	76.6
138.50273	6.1
141.91174	6.0
149.05978	5.8
151.03900	9.7
151.07541	78.4
151.90472	4.6
157.06531	6.2
161.05980	100.0
161.09666	23.1
163.07512	20.2
164.07178	6.7
167.08649	5.7
175.07584	15.1
177.09050	7.0
181.08536	6.3
189.09074	74.8
191.92065	5.7
195.08055	13.4
207.10150	93.2
221.05922	5.3
221.09673	4.9
227.10628	18.9
253.08569	10.6
255.10110	11.7
269.07806	6.4
285.11227	10.7
287.12747	58.9
299.12711	5.8
313.14230	33.7
331.15356	43.7
366.68372	5.2
379.10004	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	378.9341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	28.4
57.03452	0.7
60.04532	0.7
69.03428	1.5
70.03249	2.5
71.95258	1.2
74.67825	0.7
74.93188	0.9
81.03457	1.0
83.04960	0.7
85.02905	1.9
97.02887	2.3
98.97570	66.8
99.97928	1.9
100.97148	1.0
101.00854	1.4
102.96862	1.1
103.53915	0.8
110.97525	1.6
116.32638	0.7
116.98606	54.6
117.98931	1.5
119.01908	4.9
120.97902	1.6
128.98578	2.8
130.93309	1.9
131.01917	1.4
132.96585	0.9
134.99638	35.4
136.00029	1.3
137.02972	0.8
138.98907	1.3
140.00163	1.0
140.96280	0.7
143.01897	0.9
145.03448	0.9
146.99641	1.8
149.04880	1.0
153.00722	5.7
155.01881	2.2
161.02946	1.4
164.54877	0.7
172.94337	1.3
173.02946	2.7
174.97655	5.2
177.00964	1.7
185.02946	1.8
190.95456	2.9
192.87907	2.6
192.98697	5.5
194.91226	5.1
197.02884	0.8
201.00894	1.0
203.03940	1.5
208.96535	1.1
210.88885	4.7
212.88551	1.9
212.92239	16.5
213.92447	1.2
214.95490	1.1
216.98633	1.0
218.91383	2.5
219.02039	2.2
221.04991	1.3
228.89957	9.9
230.89674	2.9
230.93269	21.8
231.93504	1.7
232.94276	1.0
232.96591	7.2
233.96950	0.9
234.89058	1.0
234.99799	1.3
236.92285	4.6
236.94456	0.8
238.95787	1.2
245.05075	2.5
245.92216	1.1
246.91052	5.3
248.90671	2.9
248.94295	7.0
250.97688	4.6
252.90189	2.2
252.96332	1.7
254.93309	23.4
254.95872	1.1
255.93462	1.0
256.96570	10.4
257.96884	1.0
258.99792	8.9
259.02707	1.5
259.99988	1.4
260.99774	2.0
261.03079	4.6
262.03226	1.4
263.02853	1.8
263.93033	1.1
264.92114	1.6
264.98148	1.3
268.94131	1.6
270.90976	13.9
272.90961	4.4
272.94333	81.1
273.94458	4.8
274.94574	1.5
274.97668	30.4
275.97839	4.2
277.00864	11.1
277.03860	1.6
278.00919	2.1
278.96829	2.9
279.00668	1.7
280.96725	1.5
282.99744	1.4
286.95383	1.0
288.92105	35.8
289.92252	1.6
290.91852	14.3
290.95438	39.4
291.92181	1.5
291.95639	2.5
292.98615	8.1
294.92166	5.0
294.97430	3.7
295.95944	1.8
296.97720	1.2
298.06906	1.1
298.94254	1.5
298.97702	31.3
299.97964	3.5
300.91531	1.4
301.00919	1.0
305.07159	2.8
306.93170	14.1
307.93335	1.1
308.92844	6.1
310.89792	1.3
312.93204	14.0
313.93420	1.7
313.96829	1.4
316.98761	53.6
317.98846	4.2
318.92322	1.0
319.05060	2.3
327.92038	2.6
330.90265	1.9
330.94034	6.6
334.99820	1.4
336.93155	6.4
342.88699	0.9
345.93130	2.1
348.91422	2.3
352.90982	1.0
354.94299	34.8
355.94275	3.4
360.92230	7.7
360.95712	1.0
363.89664	1.0
364.91281	3.6
368.88443	1.2
370.91730	3.1
372.91504	4.4
372.95633	14.1
373.90411	1.7
373.95264	1.5
374.93304	3.1
377.96228	1.2
378.89444	1.5
378.93646	9.3
379.93692	1.2
384.67160	0.9
385.41675	1.0
385.90393	1.1
386.89655	1.0
390.92575	2.6
391.91110	2.3
392.90842	1.1
396.94571	100.0
397.94711	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29163	1.4
69.31523	6.9
91.05460	1.7
102.70979	1.4
114.59215	1.4
118.90777	1.6
121.69070	1.5
126.32395	1.7
200.72821	1.8
248.86247	1.6
271.04123	2.5
293.09903	4.4
335.10953	31.2
336.11063	2.4
379.09946	100.0
380.10287	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1573
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.10382	0.6
56.95501	0.5
56.96555	2.0
58.51255	0.5
71.42015	0.4
85.02889	1.3
97.06488	0.5
98.97580	2.1
111.04462	0.6
123.09386	0.7
137.05956	1.6
138.06320	0.6
149.05974	0.7
163.03920	0.6
167.07050	0.9
193.03885	0.9
193.56288	0.5
200.06358	0.8
217.03702	2.4
217.10468	10.9
221.03075	0.6
235.04868	1.0
259.05035	1.2
319.06927	1.5
337.08054	4.3
379.15695	100.0
380.16101	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	379.284
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
54.57123	1.8
55.01858	5.3
55.05508	19.2
57.03421	1.8
57.07069	32.8
65.03928	2.2
67.05501	21.1
69.03419	2.4
69.07063	34.8
69.11027	9.2
69.11430	4.6
71.04986	4.4
71.08622	5.6
73.06561	2.2
76.48948	2.0
79.05489	18.3
81.07049	39.6
83.04976	7.9
83.08617	10.6
85.06540	19.1
87.08100	1.7
89.06017	5.4
91.05454	11.5
93.07036	29.8
95.04956	4.5
95.08595	27.3
97.06531	9.1
100.79855	2.1
101.09618	2.1
105.04502	2.3
105.07018	12.3
107.08588	26.5
109.06508	17.1
109.10141	11.3
111.04424	8.1
111.08083	4.8
119.08562	11.3
121.06509	4.1
121.10136	12.1
123.08056	12.8
123.11700	4.8
123.53376	1.8
125.05981	6.0
131.08565	5.4
133.08540	2.4
133.10130	8.1
135.08047	31.1
135.11638	11.4
137.05956	36.0
137.09636	2.7
137.13229	3.0
139.11166	2.5
145.10155	3.7
147.08067	3.0
147.11699	7.5
149.09599	7.7
149.13190	5.5
151.07553	7.3
151.11182	2.7
152.08363	3.1
153.12715	4.7
157.10077	2.4
159.11720	3.2
161.09619	6.7
161.13316	3.9
163.11218	2.2
163.14857	2.5
165.09134	11.9
165.12752	8.3
175.11162	3.3
177.12708	14.0
179.14311	7.6
181.12180	2.2
189.12802	2.2
191.14307	3.6
193.12222	1.9
197.20398	2.0
207.13770	4.2
208.30055	2.1
209.15343	2.7
233.18892	2.2
234.41052	1.9
249.18501	2.3
263.20035	12.0
277.18149	2.4
301.25208	2.6
305.24777	3.2
319.26309	10.3
323.22205	2.6
329.24872	6.7
347.25772	88.5
348.26071	5.8
351.28909	28.6
352.29178	3.1
361.27356	29.4
378.85910	2.1
379.28369	100.0
380.28967	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	379.2842
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01871	4.2
55.05510	33.1
57.03436	2.7
57.07077	12.7
67.05498	29.7
69.07065	29.1
71.04999	3.4
71.08636	9.1
71.41894	2.2
76.81882	2.6
79.05491	20.5
81.07052	42.3
83.04963	8.8
83.08631	16.6
85.06543	10.0
89.06032	6.6
91.05498	11.7
93.07039	28.8
95.04945	3.5
95.08598	35.3
97.06525	14.7
97.10168	3.2
99.08059	4.6
105.07030	12.9
107.08574	27.0
109.06518	13.9
109.10146	15.9
111.04437	30.6
111.08078	5.2
117.07044	2.8
119.08574	14.2
121.06504	3.1
121.10155	13.5
123.08021	13.0
123.11684	3.7
125.05984	21.2
131.08554	5.4
133.08543	2.4
133.10124	6.1
135.08067	22.2
135.11699	16.3
137.05975	10.4
137.13239	5.2
145.10112	14.6
147.11693	6.9
149.09633	4.3
149.13174	3.5
151.07579	5.4
153.12779	7.6
161.09663	3.9
163.11195	6.5
165.09099	3.2
165.12770	7.3
167.14349	3.4
177.12796	3.4
179.14291	4.6
181.12291	12.0
181.13606	2.2
193.12222	3.1
195.13815	5.3
205.06224	2.5
205.15991	2.9
221.19011	4.9
249.18489	2.4
254.74799	2.6
263.20160	3.4
305.24716	98.2
306.25113	7.7
319.26248	25.0
329.24777	7.4
333.00101	2.4
347.25800	100.0
348.26144	7.9
351.28909	26.8
361.27264	19.2
379.28387	45.8
379.33112	2.5
380.28882	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	379.2993
Annotation	(22E)-Cholesta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
55.05495	4.0
56.27041	0.9
57.07063	3.3
67.05496	8.5
69.07061	27.8
70.03441	2.3
71.08619	1.6
79.05482	3.8
80.45369	0.8
81.07046	9.8
83.04969	8.1
83.08607	3.7
91.05462	4.9
93.07031	5.3
95.08594	25.4
97.06520	12.2
97.10169	1.2
98.23407	1.1
105.07008	5.9
107.04942	1.6
107.08586	4.6
109.06502	2.0
109.10135	10.3
111.11729	1.5
115.05460	0.9
117.07012	3.5
119.08576	3.5
121.06507	2.2
121.10129	2.6
123.08020	2.9
123.11719	1.8
128.06200	1.0
129.06985	3.7
131.08539	7.6
133.06496	1.1
133.10118	8.1
135.08028	1.0
137.09602	1.1
137.13217	1.5
141.06990	2.8
142.07771	0.8
143.08531	6.2
145.10118	6.4
147.08034	1.8
147.11707	2.1
155.08522	7.2
157.10126	6.8
159.08080	2.2
159.11664	3.4
161.09639	1.8
161.13246	1.6
165.06900	1.0
167.08549	3.0
169.10097	8.9
170.10831	0.9
171.07942	1.4
171.11711	5.5
173.09583	8.4
173.13232	3.5
175.11250	1.6
179.08528	2.2
180.09270	1.4
181.10110	6.7
183.11676	14.0
184.12428	3.2
185.09668	1.3
185.13231	6.3
186.14079	2.0
187.11153	1.4
187.14813	2.4
192.09285	0.9
193.10115	1.3
194.10828	1.8
195.11652	14.1
196.12251	2.0
197.13229	6.7
198.13931	1.1
199.11177	2.9
199.14812	1.8
201.12648	1.3
201.16193	1.0
207.11678	2.9
208.12300	1.3
209.13185	10.7
210.13985	17.7
211.14751	10.7
213.12767	4.1
214.13332	1.2
215.14401	1.5
223.14801	4.0
225.12733	4.9
225.16371	2.4
227.14252	14.6
228.15074	4.6
229.15833	1.3
235.14844	3.2
237.16479	1.6
239.14214	2.0
239.17880	0.9
241.15810	3.3
242.16533	1.6
249.16426	3.3
250.17189	2.1
251.17914	2.7
253.15849	15.5
254.16307	1.3
267.17398	20.8
268.18158	15.2
269.18900	6.2
279.17361	2.2
281.18732	1.8
294.19754	2.5
295.20480	1.7
298.29883	0.9
321.25690	10.5
322.26282	0.9
323.23383	1.4
335.27280	2.6
361.28912	1.9
379.29889	100.0
380.30212	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	379.2992
Annotation	(22E)-Cholesta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
54.92567	1.1
55.05512	7.5
57.07047	2.6
67.05493	15.2
69.07059	22.6
70.55565	2.2
71.08601	1.2
76.55744	1.3
79.05484	10.7
81.07048	27.9
83.08611	6.6
91.05457	10.3
93.07034	17.2
95.08595	34.7
95.84264	1.2
97.06516	1.7
97.10174	2.4
105.07014	17.4
107.08573	21.0
109.06473	3.5
109.10136	29.0
109.10877	1.8
111.11703	2.2
117.07008	3.9
119.08559	17.3
121.06480	3.9
121.10115	11.3
123.08051	5.7
123.11669	3.9
127.11195	2.7
128.06160	1.3
129.06995	7.0
131.08540	11.8
133.10117	9.9
135.11681	6.5
137.05991	2.7
137.09653	2.7
137.13182	2.7
142.07755	2.9
143.08530	11.4
145.10085	14.1
147.11679	8.2
149.13219	4.7
155.08521	7.2
157.10127	16.1
159.11652	15.3
161.09602	3.3
161.13211	6.7
163.11121	2.1
163.14804	2.7
165.06924	1.6
167.08571	2.6
168.09280	1.9
169.10107	8.7
171.11659	9.4
173.09601	2.2
173.13225	5.5
174.13519	1.2
175.11145	6.8
175.14757	3.1
177.12729	1.8
177.16208	1.2
179.08514	1.8
181.10118	4.3
183.11641	10.7
185.13155	8.9
187.14816	2.6
189.12692	2.1
189.16435	1.6
192.09109	1.4
193.10159	2.0
195.11665	7.8
196.12502	2.3
197.13234	7.4
198.92896	1.5
199.14738	5.9
201.12674	3.3
201.16368	5.4
203.17981	1.9
207.11684	3.4
208.12326	2.1
209.13222	8.9
210.13634	1.7
211.14746	7.1
213.16399	4.0
215.14296	4.8
215.17860	2.3
217.15764	1.4
219.11662	2.1
221.13222	4.7
223.14777	6.3
225.16376	5.5
227.14262	2.9
227.17873	2.9
229.15839	2.8
234.13896	1.7
235.14828	6.9
236.15338	1.4
237.16354	5.0
239.17889	4.6
241.15750	1.6
241.19402	3.0
249.16351	7.4
250.16954	1.5
251.17877	10.1
252.18393	1.6
253.15932	1.9
253.19470	5.0
255.17401	2.9
255.21115	2.4
263.17902	2.7
265.19412	2.2
267.17429	7.1
267.20810	2.7
269.19055	7.1
277.19473	4.6
279.21027	4.6
281.19046	2.3
289.19418	2.2
291.20959	4.1
292.16406	1.4
292.21768	1.5
293.22452	2.0
295.20596	2.2
295.24335	1.3
297.22177	2.8
303.21017	1.9
305.22549	11.0
309.22040	2.0
319.24191	2.8
321.25735	2.4
323.23651	4.2
333.25671	1.4
336.24286	1.3
361.28845	28.4
362.29019	2.0
379.14899	4.3
379.29892	100.0
380.30212	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	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67437	4.1
69.35217	15.8
69.35625	8.5
81.07042	4.6
86.09693	5.3
95.08609	6.6
98.22751	9.8
105.07011	9.5
109.02869	16.7
120.08062	7.6
123.08035	12.6
127.03892	43.0
127.07595	5.2
129.83887	4.5
151.07512	12.3
162.03915	4.4
169.07179	6.0
169.08595	100.0
177.00713	4.3
183.10155	7.0
185.84161	4.7
196.99219	4.1
201.11232	31.8
201.98271	4.2
309.60449	4.3
380.21921	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	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.4
55.05507	5.0
56.66599	2.3
67.05502	18.3
69.03430	17.4
69.07082	3.0
69.08838	13.0
69.09253	4.4
71.04971	9.1
79.05493	4.0
81.03387	10.3
81.07037	4.1
85.02872	14.8
91.05496	15.6
92.05856	2.7
93.07022	19.5
95.04967	3.9
95.08601	80.3
97.02890	6.1
97.06479	2.4
99.04443	5.4
101.06058	2.4
105.07052	3.0
109.02860	7.4
109.10144	29.4
111.08130	3.0
113.05969	3.4
119.08569	27.7
127.03914	5.0
137.09604	77.9
138.22495	2.0
147.08043	4.0
155.10651	31.1
165.09105	44.8
165.10413	3.8
180.08636	3.6
183.10150	33.6
193.17058	2.1
201.11209	100.0
202.11545	4.2
227.34003	2.2
309.13226	12.6
327.14337	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	380.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95709	0.6
67.05492	1.4
68.29218	0.8
69.07059	1.5
75.18884	0.5
79.05479	1.4
81.07023	1.6
82.07358	0.7
91.05473	1.8
93.07033	1.6
94.04149	1.3
95.08602	1.3
103.05489	0.8
105.07007	1.9
107.08570	1.1
109.10135	1.3
119.08569	1.3
120.08878	0.8
121.10155	0.8
122.03607	4.1
122.95438	0.7
123.08035	0.7
131.08571	0.7
137.05957	100.0
138.06296	3.3
145.06439	0.8
145.10069	0.9
159.11818	0.7
160.11996	0.8
163.07491	1.3
173.13254	0.7
177.22467	0.6
181.08574	3.6
206.79306	0.7
349.42801	0.6
361.29022	0.8
362.29031	1.2
380.30203	7.4
381.12924	0.8
381.31271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97050	10.5
61.65218	10.3
65.65536	11.1
67.05485	13.7
69.10541	11.7
69.55320	23.2
69.55691	40.3
71.04979	55.9
79.05494	28.7
81.07063	29.0
85.02917	27.1
86.18279	11.0
91.05466	23.2
93.07035	26.6
95.08598	16.1
98.23490	14.4
101.23808	11.6
105.07055	24.4
105.43285	11.6
107.08591	17.9
109.06524	16.9
119.08531	15.6
121.10129	19.6
140.51273	13.0
141.09200	11.5
147.11691	42.5
163.85278	12.6
164.07059	13.2
165.12737	97.4
183.13765	25.2
239.08060	14.1
267.07651	45.3
276.09247	21.7
285.08798	20.2
309.47922	12.4
313.08160	38.4
321.14365	27.9
331.09140	28.2
336.11102	16.4
349.13855	26.1
380.10373	100.0
381.15927	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	380.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50809	3.0
54.38554	2.8
55.05492	4.1
57.07073	94.0
67.05492	3.0
67.43113	2.3
69.07068	7.8
69.09300	18.3
71.08621	65.6
73.06531	3.4
80.22282	2.7
83.08641	3.7
85.10172	38.5
89.06020	100.0
90.06401	2.9
97.10187	6.2
99.11724	11.4
107.07087	7.7
107.08617	2.7
113.13235	4.5
119.08510	3.2
122.16634	2.9
133.08586	44.4
151.09634	6.1
169.05714	2.9
173.08211	2.8
177.11276	17.2
195.12250	77.0
196.12663	2.9
211.14984	2.9
224.52235	2.5
363.31000	47.1
364.31277	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	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11039	2.4
63.25873	2.7
66.27885	2.6
69.78308	10.0
70.61417	2.8
86.67252	3.1
98.23084	7.6
117.01482	2.7
201.01614	3.8
219.02672	6.2
235.68112	2.8
296.82608	2.7
381.03073	5.7
381.07904	100.0
382.08218	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93829	0.7
54.00371	0.8
56.92509	0.9
61.55571	0.9
69.34904	4.3
70.33834	0.7
70.76367	0.7
86.73630	0.9
86.95253	0.8
112.42760	0.8
112.89625	1.3
114.89361	0.9
123.50351	0.8
145.75816	0.8
192.24425	0.9
201.01556	4.2
201.17343	0.9
219.02701	3.1
381.07904	100.0
382.08450	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	381.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	0.9
56.96557	13.6
68.40117	0.5
69.03410	1.2
70.05703	0.9
70.06034	0.5
74.97600	1.0
76.27763	0.5
79.51746	0.5
81.03389	0.6
84.96023	2.4
85.32818	0.4
98.97572	36.3
99.04427	0.9
100.99097	0.7
110.96793	0.7
110.97556	12.8
111.00563	0.5
111.01180	2.9
112.99116	4.7
115.00667	1.0
116.98609	9.2
124.99147	0.7
126.96944	0.6
127.00666	3.0
128.98595	9.6
129.02235	34.2
130.02512	0.5
131.00156	3.7
133.01668	0.9
134.99623	2.1
140.98563	1.5
141.02232	1.4
143.00163	1.9
144.98050	0.9
145.01682	1.3
146.99606	1.9
147.03278	19.7
149.01155	1.4
152.98540	1.1
157.01709	0.7
158.99643	12.8
159.03278	14.7
161.01186	1.3
165.00562	0.6
165.04337	1.9
170.99606	3.2
171.03307	1.5
172.94296	1.8
173.01245	1.5
175.02844	1.3
177.00737	8.6
177.04326	38.7
178.04616	0.8
183.03345	0.9
187.02791	0.9
189.00685	2.1
189.04301	1.6
190.95363	1.5
191.02257	1.3
195.01726	0.6
195.05383	9.2
201.00659	4.0
201.02318	0.6
201.04393	4.1
203.05644	0.5
205.03841	1.4
213.06197	0.5
218.90938	0.5
218.99611	1.1
219.01756	22.5
219.05254	7.0
220.02061	0.9
231.05309	1.6
233.06868	1.1
237.02795	25.3
237.06377	1.0
243.05482	0.8
261.06381	2.6
273.06342	1.3
290.03802	0.6
291.07504	4.3
301.00168	1.6
311.04361	0.6
319.01242	3.5
321.08496	100.0
322.08774	5.5
324.15765	0.6
339.09592	42.5
340.09894	1.8
381.10638	13.1
382.10995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	19.1
70.81841	9.6
81.07037	6.0
85.17879	4.2
86.24667	4.6
95.08605	5.8
97.50275	4.2
101.15094	4.8
103.11792	4.7
121.06545	5.0
127.58716	4.7
128.98622	6.6
146.99634	6.6
214.05092	6.3
229.07445	10.3
247.08536	9.5
250.32430	4.7
258.47153	4.8
269.10550	8.0
283.12195	19.4
301.13049	5.8
331.15726	10.8
349.16678	8.3
381.19537	100.0
381.31653	7.7
382.19864	8.5
399.20633	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	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01852	12.0
55.05502	22.4
55.86980	3.8
57.03423	14.8
57.07069	8.3
61.02910	11.3
64.00858	3.5
67.05498	29.8
69.03423	64.8
69.07064	20.0
69.85519	7.5
69.85851	4.8
71.04979	14.9
73.02916	8.0
79.05493	33.0
81.03413	23.5
81.07052	88.9
83.04962	15.8
83.08603	10.3
85.02890	75.7
85.06539	5.5
87.04461	4.8
91.05468	55.8
93.07040	85.5
95.04957	16.2
95.08595	76.2
95.95274	3.4
97.02869	35.6
97.06573	8.6
99.04433	13.7
103.03925	4.7
103.05417	4.1
105.07019	100.0
107.04939	4.9
107.08581	83.0
109.02857	11.9
109.06520	12.2
109.10139	29.8
111.04432	6.1
111.08046	5.8
115.05434	12.8
117.06977	20.8
117.96627	3.3
119.08572	66.4
121.06478	7.2
121.10139	68.0
123.08031	11.6
123.11674	11.1
127.03890	25.3
128.06183	8.1
129.06999	19.7
130.07799	10.6
131.08548	45.4
133.10138	38.3
135.04315	4.1
135.08070	10.1
135.11681	13.0
135.21349	3.9
137.05948	7.1
141.06955	4.8
142.07800	5.0
143.08528	15.3
144.09299	5.8
145.04945	11.0
145.06532	4.1
145.10106	91.9
147.08031	4.3
147.11662	39.9
149.09555	9.3
149.13254	14.4
157.10133	19.5
159.08055	5.6
159.11673	92.0
161.09592	6.6
161.13254	41.7
163.07547	17.6
163.11137	8.9
163.14795	4.2
167.08640	5.4
169.10124	4.8
171.11653	13.2
173.09561	8.4
173.13258	28.3
175.07549	33.5
175.11154	6.3
175.14751	6.2
177.16351	4.6
181.10078	5.9
183.11734	4.7
185.13245	4.5
187.11304	5.1
187.14830	4.7
189.09106	10.8
191.17947	4.6
193.08653	3.9
195.11552	4.1
197.13275	5.6
199.14783	8.2
201.09114	23.9
201.12698	5.2
201.16382	67.5
203.17970	12.3
203.49774	4.3
211.14938	5.6
213.16411	3.7
217.15903	9.0
218.16103	5.1
219.17410	29.5
225.16309	4.5
229.15875	8.2
243.17352	5.4
381.13159	5.3
381.22720	18.6
381.27814	11.6
381.31781	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	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73651	4.2
53.03939	7.0
55.01854	12.8
55.05503	37.8
57.03421	14.2
57.07062	9.1
59.04984	4.4
67.05495	52.5
69.03426	39.8
69.07055	59.8
71.04976	21.8
79.05485	54.8
81.03418	21.4
81.07049	83.3
83.04955	20.3
83.08586	25.0
85.02899	29.4
85.06551	3.7
91.05462	48.0
93.07038	75.6
95.04967	28.5
95.08590	80.9
97.02891	21.4
97.06506	14.1
97.10141	7.3
99.04452	11.8
99.08086	5.4
102.66644	3.7
103.03935	3.9
105.07023	89.4
107.04940	5.0
107.07922	7.1
107.08582	79.0
109.02879	8.8
109.06511	15.5
109.10145	53.2
111.04379	5.9
111.08081	7.2
115.05487	4.7
117.07003	16.9
119.08572	61.4
121.06504	12.0
121.10125	56.0
123.08041	9.6
123.11701	18.4
125.09627	14.9
127.03885	17.6
127.11226	4.9
128.06227	4.8
129.06989	12.8
130.07787	5.9
131.08551	49.5
133.06418	6.0
133.10109	36.4
135.08043	11.6
135.11691	28.7
137.05939	11.7
137.09607	9.9
137.13225	7.3
138.06322	6.1
141.07010	4.5
142.07791	4.2
143.08528	17.8
145.04916	8.8
145.10104	59.4
147.08029	11.9
147.11661	44.6
149.09596	7.3
149.13297	19.2
151.11108	4.5
153.12663	7.3
155.08574	11.1
157.10139	32.6
159.08073	9.3
159.11694	56.6
161.09619	11.8
161.13219	37.4
163.11134	25.3
163.14909	6.7
169.08585	3.9
169.10057	10.2
171.11650	14.9
173.09674	8.3
173.13211	24.5
175.11208	9.6
175.14822	8.2
177.12775	5.2
177.16371	5.0
181.10036	5.6
181.12149	6.4
183.11691	11.6
185.13203	9.5
187.14783	10.5
189.16263	4.4
191.10591	5.6
195.11670	5.4
197.13248	7.3
199.14792	14.2
201.16377	34.4
203.17975	10.3
209.09853	5.6
209.11600	8.1
211.11189	4.6
211.14772	9.4
213.12605	4.0
213.16364	8.3
217.15901	5.1
219.13739	4.3
219.17477	10.6
225.16292	9.0
227.12675	5.5
231.17285	8.0
239.17859	6.6
241.19305	5.5
243.17433	5.0
243.21069	5.4
252.18576	4.9
253.19548	9.0
257.84875	4.1
264.07983	4.1
269.18918	7.5
271.20554	8.1
283.15326	7.8
284.16040	4.8
289.17969	8.3
299.23956	5.5
340.81186	4.4
363.21564	5.5
363.30460	23.1
381.22711	19.5
381.27710	10.0
381.31512	100.0
382.21472	4.3
382.31744	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	382.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01881	9.4
55.02105	2.2
55.05510	11.2
56.96564	3.6
57.03432	8.2
57.07067	2.2
61.02928	7.1
61.04762	2.1
67.05517	2.4
68.99780	3.7
69.03429	39.6
69.07073	2.4
71.04988	11.2
72.04520	8.5
73.02925	11.7
81.03415	29.4
83.04993	3.2
85.02900	95.9
85.06567	2.4
87.00828	42.7
87.01322	3.4
87.04450	2.6
90.05554	19.0
95.04947	3.4
97.02900	47.5
98.02403	2.9
98.97594	4.2
99.04463	20.5
104.07081	2.4
105.01865	61.6
105.02528	3.7
109.02871	43.2
113.06094	1.9
116.03455	7.1
117.01852	3.1
117.05491	100.0
122.02126	2.2
124.07648	3.3
127.03912	84.9
127.11970	1.9
128.04214	2.4
129.01826	3.6
138.41455	1.9
141.87265	1.8
142.08612	4.4
145.04959	33.0
145.06073	3.0
147.02846	2.6
153.01770	2.4
159.02864	12.7
160.09756	3.0
160.34875	2.1
175.34903	1.9
184.09695	6.8
185.04243	4.8
185.08099	2.8
187.06026	2.4
189.03986	2.8
199.06091	2.7
202.10733	23.0
213.03961	11.8
217.06985	4.1
220.11708	17.9
231.04996	26.0
234.09621	3.3
249.06104	5.6
255.01694	2.2
256.02078	2.3
262.12958	3.8
273.02820	2.6
283.07883	14.9
310.12799	2.7
328.13983	6.7
346.14929	3.4
364.16055	8.4
382.11108	5.7
383.08844	17.5
383.13596	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1706
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
56.60286	2.0
57.07061	3.4
59.04993	3.2
69.07040	2.3
70.02932	3.3
70.69202	3.9
71.44016	1.8
72.04506	6.0
85.02920	3.5
85.06525	5.1
90.05547	60.7
95.04966	3.2
97.69464	2.0
98.02404	8.8
103.07578	5.5
116.03432	7.7
124.07570	9.7
142.08612	4.8
166.08679	3.1
184.09648	10.2
185.04182	12.3
202.10710	17.6
203.53499	1.9
220.11778	90.5
221.04181	11.8
221.12094	3.8
242.99805	1.9
249.28531	1.8
259.28680	2.5
287.77866	2.4
383.09415	100.0
399.98990	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84683	0.2
52.29211	0.3
56.96561	8.4
69.75623	0.2
69.97031	0.5
70.83254	0.3
71.95248	0.8
72.48399	0.2
74.68119	0.3
98.97572	100.0
99.97886	0.8
116.98611	58.5
117.98914	0.3
134.99640	18.4
140.00145	0.4
146.67015	0.3
153.00682	1.6
158.01205	0.3
170.28517	0.3
181.97356	0.3
192.98695	0.4
203.67293	0.3
216.98787	1.2
219.01895	0.3
234.99884	2.2
240.98625	4.9
258.99747	65.0
259.99905	4.7
261.00116	0.6
261.02994	0.8
274.97885	0.4
277.00790	83.9
278.00998	5.8
279.01163	0.4
282.01279	1.0
282.99930	2.8
284.00156	1.1
284.99771	0.5
295.01825	0.9
300.02432	1.0
300.97626	0.5
301.00970	3.5
302.01050	0.9
303.00842	0.6
316.98941	0.4
317.99005	0.4
359.00241	0.6
360.00211	0.8
383.00061	1.7
384.00003	0.4
400.96472	0.4
401.01089	6.8
402.01175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76564	1.6
69.76964	1.6
87.03036	0.8
94.26971	1.0
98.22742	1.5
168.84850	0.8
185.04207	16.6
221.04175	14.2
225.11699	0.8
258.33173	0.8
369.45602	1.0
383.09390	100.0
384.09824	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	383.0946
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
50.43468	0.7
52.73606	0.6
53.29362	0.7
69.75895	2.4
116.88036	0.7
120.20303	0.7
185.04187	18.4
221.04150	10.1
317.42450	0.7
383.09418	100.0
384.09836	5.0
397.36169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48962	0.3
69.88213	0.6
69.88530	0.4
81.03383	0.3
85.02920	0.7
97.02865	0.3
98.22758	0.3
98.23292	0.7
125.52752	0.3
130.04936	0.3
131.19643	0.3
147.23593	0.3
156.34082	0.3
185.04196	35.2
186.04605	0.7
201.55530	0.3
206.01970	0.4
220.07138	0.3
221.04192	19.4
221.07832	1.2
221.94110	0.3
222.04584	0.6
239.05316	0.6
262.06805	0.5
279.08658	0.5
383.09198	28.2
383.13126	100.0
384.09537	1.3
384.13727	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	383.1122
Annotation	Austrobailignan 1
Peak:m/z	Relative Intensity
55.01872	3.7
63.34761	0.4
65.03920	2.1
67.05477	1.8
69.07090	0.5
69.41439	1.8
70.16415	0.4
79.05476	0.6
85.02882	0.8
91.05456	1.4
95.04955	1.2
98.22898	1.4
98.23430	0.5
102.84734	0.4
103.05499	0.7
107.04973	0.5
109.10142	1.4
110.03645	2.0
111.04431	2.3
115.05448	0.9
121.02866	0.5
125.05969	1.7
131.04898	0.7
137.06046	0.6
141.06937	0.9
145.06461	1.1
147.11694	0.5
151.03864	0.5
152.06206	1.7
153.05460	2.6
153.06967	1.7
155.04878	0.6
155.08527	0.5
161.05991	0.5
163.03935	0.5
165.06956	4.6
166.07738	0.8
167.08481	1.1
168.05679	0.5
168.35011	0.4
169.06552	0.9
173.05983	0.7
173.11749	0.8
176.06157	0.9
177.06969	1.1
178.07745	7.6
179.08524	3.0
180.05762	0.5
181.06435	5.0
183.08058	0.7
189.06935	4.1
190.07660	3.1
191.08533	2.5
192.05638	1.1
193.06425	1.8
194.07213	5.0
195.07982	2.2
197.06003	0.8
198.06758	0.6
201.05408	0.6
202.07773	2.0
203.08493	1.3
204.05853	0.5
205.06467	5.8
206.07259	6.2
207.08025	3.5
208.08791	1.9
209.06001	3.7
209.09564	1.3
210.06720	1.2
211.07526	2.0
212.04759	0.5
213.09081	0.5
217.06480	0.7
218.07181	4.3
219.08008	3.7
220.08740	1.6
221.05983	4.6
221.09543	4.0
222.06683	3.6
223.07463	3.0
224.08270	5.7
225.09097	1.7
226.09636	0.6
231.08023	1.3
233.05946	2.1
234.06723	15.0
235.07484	5.4
236.04633	0.7
236.08226	2.9
237.05452	1.8
237.09047	4.4
238.06268	0.7
238.09747	0.9
239.07002	1.9
240.07893	0.7
245.05923	0.8
246.06770	1.8
247.07562	2.5
248.08203	3.2
249.05492	2.2
249.09059	7.1
250.06230	3.0
251.07036	4.1
251.10568	0.6
252.07787	7.2
253.05328	0.6
253.08443	3.4
254.09251	0.8
255.06447	0.6
261.05548	1.6
261.09122	1.6
262.06116	3.2
263.06967	3.0
264.07730	4.4
265.05438	1.1
265.08539	7.7
266.05786	0.9
266.09256	1.8
267.06421	1.2
267.10043	1.3
269.08063	1.7
274.06244	1.2
275.06894	1.3
276.07809	2.6
277.05450	0.7
277.08557	19.3
278.05832	1.4
278.09262	4.4
279.06503	2.8
279.09854	1.1
280.07239	4.4
281.07974	2.3
283.09607	1.0
284.10458	0.7
289.08630	1.5
290.05582	1.0
291.06519	1.8
291.10187	1.6
292.07269	2.1
292.10434	0.6
293.08023	7.5
294.08740	3.2
295.09744	3.5
296.10440	0.9
305.08044	32.2
306.08456	3.0
307.06006	1.4
307.09616	4.2
308.06628	1.6
308.10242	1.5
309.07468	1.6
309.11121	0.8
310.08331	0.7
311.09225	2.0
317.07950	0.7
319.09915	0.6
321.07541	9.0
322.08136	2.2
323.09116	7.6
323.12738	1.4
324.09512	0.9
325.10785	0.7
327.12222	1.3
335.09219	2.9
337.10706	2.8
339.08582	0.7
347.09280	0.6
351.08505	0.7
353.10123	2.1
355.11633	2.3
356.81857	0.6
359.53204	0.5
365.10037	0.8
365.14102	0.9
383.11188	100.0
384.11505	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	383.1122
Annotation	Austrobailignan 1
Peak:m/z	Relative Intensity
53.77696	1.2
54.64492	0.9
55.01857	3.9
64.16411	1.2
65.03910	2.1
67.05485	2.5
68.84052	0.9
69.09692	7.5
75.04459	1.1
81.07072	1.5
87.28938	1.1
90.05698	1.2
95.04939	0.9
95.08573	1.0
109.10142	1.9
110.03644	1.8
111.04435	1.9
119.99416	0.9
121.02834	1.0
125.05965	2.2
131.08525	1.1
152.06223	2.5
153.05455	3.5
153.06924	1.7
155.08504	1.2
159.04410	0.9
165.05687	1.2
165.06918	5.3
166.07642	1.3
167.08516	1.8
173.05939	1.3
176.06271	1.1
177.07080	2.0
178.07761	9.8
179.08508	2.5
181.06404	5.5
189.06987	4.2
190.07782	4.2
191.08456	2.6
192.05658	1.4
192.55618	1.1
193.06525	2.9
194.07217	5.7
195.07985	2.8
202.07790	3.8
203.08588	1.8
205.06465	6.1
206.07265	6.5
207.07990	2.7
208.08813	1.9
209.05974	3.6
210.06740	2.1
211.07532	2.8
218.07240	4.3
219.08000	6.1
220.08798	2.4
221.05981	4.1
221.09625	3.6
222.06746	4.3
223.07455	3.8
224.08275	6.3
225.09117	2.9
231.08057	2.5
233.06036	2.1
234.06696	15.1
235.07353	6.1
236.08305	4.1
237.05521	1.3
237.09074	4.5
238.09685	1.3
239.07010	2.8
240.07835	1.3
246.06834	2.2
247.07526	3.9
248.08267	5.8
249.05415	2.4
249.09055	8.5
250.06236	3.6
251.06911	5.4
252.07751	5.6
253.08521	2.6
259.07431	1.6
261.05527	2.7
261.08954	2.3
262.06213	4.5
263.07034	2.6
263.10764	2.8
264.07748	3.8
265.08533	7.7
267.06491	1.5
274.06158	1.3
275.06912	1.7
276.07727	4.9
277.08557	19.4
278.09143	4.0
279.06522	2.9
279.09900	1.3
280.07257	4.5
280.10553	1.0
281.08130	2.4
289.04938	1.2
289.08490	1.1
290.05795	1.4
291.06616	2.0
291.10150	5.2
292.07315	3.2
293.07965	9.6
294.08746	2.8
295.09720	2.6
296.10132	1.4
297.07501	1.9
305.08035	36.2
306.08508	3.2
307.09576	5.4
308.06772	2.4
308.10220	2.3
309.07562	1.7
311.09174	2.2
312.09851	1.2
321.07513	8.4
322.08112	2.9
323.09055	8.2
323.12766	10.0
327.11874	1.3
335.08969	2.0
337.10391	2.4
351.08505	1.5
355.11453	2.6
383.11188	100.0
383.19855	3.0
383.24463	2.3
384.11502	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	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
81.68211	0.9
100.56177	0.9
136.06099	1.3
162.07744	2.5
185.04207	11.0
188.05760	0.9
192.05148	1.4
221.04231	8.4
252.07251	7.6
359.27585	0.9
383.09201	36.9
383.13113	100.0
384.09293	2.3
384.13971	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49753	0.6
65.82732	0.5
70.95367	0.5
71.25465	0.7
76.07449	0.6
82.30190	0.5
85.36012	0.6
86.20188	0.6
88.32547	0.5
92.76714	0.6
127.50747	0.7
132.50075	0.6
160.39786	0.6
185.04187	18.9
192.58936	0.7
221.04185	9.7
221.07860	0.7
380.68292	0.6
383.09357	10.5
383.13266	100.0
384.09409	1.1
384.13596	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	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.07053	0.3
67.05491	0.4
69.03426	0.5
69.53899	0.7
69.54314	1.1
70.06583	0.5
73.05606	0.3
73.06522	0.7
73.58961	0.3
81.03403	0.5
85.02892	0.8
85.06531	0.9
97.02863	0.5
98.48618	0.3
101.06025	0.6
103.07565	0.9
106.87273	0.4
121.08600	0.5
123.04523	0.4
151.01917	0.3
187.76979	0.4
189.05125	0.4
203.84016	0.4
208.70053	0.4
212.40637	0.3
221.07649	0.8
221.09502	0.6
222.07829	0.6
238.05318	0.3
278.96082	0.4
383.13074	100.0
384.13321	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	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.3
56.96561	25.8
57.03433	2.1
61.02913	3.3
69.03429	11.5
69.98703	4.4
72.78721	1.6
73.02908	1.8
74.02424	1.6
81.03406	9.6
82.02934	1.8
85.02903	29.4
92.58417	1.4
94.06554	4.0
97.02895	9.6
98.97574	45.7
99.04452	2.2
109.02879	4.7
116.98606	33.8
118.06537	5.7
127.03905	5.6
128.98615	2.3
130.06516	66.5
130.93274	3.0
131.00240	1.6
131.06902	1.7
132.04436	18.7
132.08122	4.1
134.05994	1.8
134.99632	19.9
135.04391	2.1
138.05522	1.5
138.97047	1.7
142.06508	1.4
144.06895	2.8
144.08066	24.3
145.05235	2.1
145.07599	22.7
146.05980	12.5
146.99709	2.3
148.07565	4.1
153.00722	2.5
154.06491	5.2
156.06857	1.7
156.08075	4.1
156.98094	6.0
157.07599	63.9
158.05998	45.9
158.08002	2.1
159.09206	7.9
160.07545	5.5
163.03926	10.1
169.07573	7.4
170.05975	3.4
170.08350	2.8
171.09169	6.9
172.07568	10.7
172.94301	1.5
174.05569	7.3
174.97823	1.6
174.99121	9.2
175.08644	58.2
176.07057	3.7
181.07573	5.8
182.08282	2.7
183.09161	14.3
184.07532	3.7
185.07097	12.8
186.05519	4.5
186.07793	3.1
187.08644	3.2
188.07043	2.0
189.00603	1.6
190.08710	2.7
190.95303	3.1
193.01720	2.4
195.09253	2.0
196.07558	1.6
197.07274	1.5
199.08669	11.3
200.07072	16.4
203.08136	100.0
204.06696	3.4
204.08534	4.0
207.09114	3.1
209.07054	9.7
211.02660	3.0
213.06502	1.6
215.08179	4.3
216.08934	4.6
217.09673	31.5
218.10089	2.2
221.09178	40.4
221.11192	3.1
222.09494	3.1
226.98488	1.8
227.08099	9.7
228.06412	4.2
231.07674	5.1
237.00691	6.3
238.08823	2.4
240.98759	2.2
243.07588	2.0
245.09201	24.9
248.94389	2.9
253.09964	1.8
255.01750	14.5
258.99731	29.6
259.99969	3.6
263.10242	39.8
263.12997	2.4
264.10583	1.7
269.09134	2.2
273.02765	11.9
274.10675	1.8
274.97379	1.8
275.10040	1.8
277.00790	40.7
278.00970	3.6
283.07916	6.3
290.95560	5.8
299.10233	5.0
308.96582	1.7
314.95389	7.8
319.01392	1.8
323.06509	2.1
329.01743	2.3
329.11353	2.6
332.96640	10.2
337.02252	8.6
347.12430	8.4
348.10550	7.2
355.03171	2.2
365.13504	23.5
383.03244	2.9
383.08966	7.5
383.13831	23.7
384.12631	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46305	2.8
129.00931	0.5
156.44307	0.7
174.73476	0.6
180.71388	0.5
180.90964	0.6
193.59978	0.6
304.57309	0.6
353.09937	0.7
353.13522	3.8
365.13507	2.3
383.14600	100.0
384.14990	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	383.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61894	2.1
64.40041	1.9
66.36691	1.9
67.05500	4.9
69.71700	5.8
79.05487	5.8
81.07028	3.5
90.28634	2.0
91.05483	3.7
93.13400	1.9
94.04172	6.2
98.23089	7.5
103.05451	4.3
103.81842	2.1
105.07020	25.0
109.06493	2.0
109.10139	2.7
115.05445	8.0
122.03635	10.2
128.06252	2.3
133.06467	19.5
137.05959	100.0
146.03596	4.5
147.04367	2.9
161.05960	89.1
162.06731	6.1
184.05186	3.6
191.08504	3.2
199.07541	26.9
202.07755	17.3
203.08499	24.0
204.09236	3.4
219.08060	7.3
220.08704	10.1
230.07336	3.9
231.08017	37.3
232.08707	8.1
235.11188	4.2
247.07500	6.7
248.08240	18.3
249.08914	2.7
258.06839	2.2
259.07513	26.4
260.08191	13.3
263.10651	16.5
276.07819	10.8
277.08591	5.3
291.10126	68.7
292.10721	8.9
295.15024	7.0
323.12668	19.0
351.12140	22.4
365.13614	2.8
383.14822	5.4
383.24152	3.5
384.30765	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	383.1486
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
53.67998	0.8
69.23475	4.7
79.05424	1.0
91.05467	2.0
110.32410	0.8
115.05465	1.5
117.07011	2.0
131.04890	1.8
134.92015	0.9
137.05965	4.8
143.04918	2.2
151.07567	2.4
161.05939	1.2
163.07504	2.4
174.79097	0.9
175.07599	2.8
175.42094	1.1
177.09082	2.1
202.07820	2.6
203.06866	1.2
205.67143	1.1
206.07256	1.0
217.10129	3.0
219.08061	2.6
221.06042	1.3
221.08110	2.6
227.08522	1.6
231.07945	2.0
233.06000	2.1
233.09653	1.5
234.06714	4.5
234.10426	1.6
244.05167	1.9
244.08855	2.0
245.05994	5.3
245.09586	10.1
246.10275	1.8
247.07613	2.7
248.08308	2.9
249.05435	1.8
249.09091	2.8
251.07164	1.1
251.10562	1.3
255.08118	2.2
258.06738	2.7
261.05426	8.8
261.09152	4.1
262.06296	8.4
262.09430	4.6
263.06921	2.2
263.10315	1.1
264.07629	2.3
272.08176	2.8
273.05850	1.4
273.09076	21.4
274.06396	2.1
274.09442	2.4
275.07013	7.6
276.07776	3.7
277.08575	5.4
277.11801	1.4
278.05753	1.3
278.09305	1.0
279.06601	2.6
279.10107	3.8
280.10715	1.1
281.08105	3.3
283.07550	1.3
286.06293	2.1
287.06784	1.2
289.04944	20.0
289.08594	5.6
290.05692	15.6
290.09366	15.7
291.06525	3.8
291.10071	4.2
292.07208	3.0
293.08038	3.1
294.08780	2.3
296.10336	2.4
300.08011	1.6
301.08514	12.7
302.09146	3.1
303.06555	3.9
303.10004	1.4
304.07373	7.4
305.08066	21.9
305.11685	12.1
306.08722	2.4
306.12073	1.2
307.09451	6.7
308.10159	1.4
309.07727	1.5
309.11267	2.5
311.12778	4.2
315.10101	1.1
317.08316	1.9
318.08838	39.3
319.09442	8.7
321.04382	1.0
321.07599	5.5
321.11243	2.3
322.08368	7.1
322.11771	2.0
323.09033	1.4
323.12802	1.6
324.09824	2.4
330.74887	1.1
333.11166	76.5
334.11487	6.9
335.08948	2.3
337.10690	16.7
337.14276	2.2
338.11029	1.2
350.11395	8.7
351.12216	6.7
355.15405	3.5
365.09973	0.9
365.13797	73.0
366.14050	5.1
383.14865	100.0
384.15073	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	383.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44825	2.1
55.01863	4.9
65.64061	2.7
67.05486	8.1
79.05480	5.3
81.07034	2.5
91.05468	20.5
94.04144	3.5
95.04955	3.4
98.23077	3.2
102.04684	7.0
103.05454	14.2
105.07021	26.1
109.10142	8.1
115.05447	21.2
119.04928	21.3
121.06476	2.7
121.10175	3.1
122.03639	7.4
123.04449	2.9
128.06207	5.1
129.07062	3.0
130.04153	4.5
131.04941	17.5
133.06467	16.7
137.05966	37.7
139.05414	3.9
143.06010	3.3
146.03587	3.1
146.07257	7.7
147.04391	18.3
148.05154	4.0
149.05965	11.0
151.07509	7.1
160.05232	3.8
161.04692	4.4
161.05963	58.7
162.06734	13.3
165.06973	3.6
168.05635	6.3
171.08066	4.4
175.07373	2.7
177.05431	8.4
178.07805	2.3
179.07040	25.7
179.08484	4.5
184.05165	2.9
190.07695	3.2
191.08571	4.0
192.09369	3.1
199.07495	36.2
202.07730	20.7
203.08537	38.5
205.06332	2.9
207.08008	3.8
219.08038	9.7
220.08800	13.1
221.09599	4.8
225.09204	3.5
230.07217	3.3
231.08031	48.2
232.08644	8.9
233.05864	3.2
235.11278	2.6
245.09410	3.3
247.07520	9.5
248.08302	17.5
249.08984	4.2
259.07495	36.2
259.09888	2.4
260.08218	13.8
261.09067	4.2
263.10669	20.1
265.08649	6.3
268.27625	2.8
275.06934	3.2
276.07736	14.4
277.08542	9.4
291.10107	75.6
292.10617	8.6
293.08029	8.5
305.08011	7.2
307.09796	5.8
308.10223	7.0
311.31708	2.5
323.09015	4.3
323.12756	46.3
324.13028	3.0
333.10797	2.7
351.12228	100.0
352.12640	6.2
383.10687	13.5
383.15659	12.1
383.24066	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1488
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
54.95126	5.8
89.03912	12.7
91.05466	8.3
103.05412	10.0
105.07055	11.1
107.04928	8.5
115.05457	7.7
117.03363	27.3
127.37277	4.9
131.04935	13.0
135.04387	8.9
135.08047	5.2
137.06006	7.4
145.02870	33.4
149.05968	11.1
161.05984	10.1
163.03912	7.1
163.07460	12.2
175.07553	8.6
177.05461	100.0
196.32028	5.1
219.08105	6.4
219.44810	5.2
229.17545	5.7
245.09691	7.0
247.07466	7.1
249.05679	9.1
249.08688	5.2
264.07739	5.8
273.09036	11.5
275.06686	5.7
277.08655	6.0
279.10248	5.2
281.08151	6.7
289.05020	15.7
290.05536	13.2
291.06494	8.4
291.09961	9.0
305.07977	15.5
305.11377	10.5
307.09683	8.1
318.08832	22.2
321.37210	5.2
323.12558	7.4
333.11124	54.6
334.11292	5.8
337.10553	14.5
351.12189	9.1
365.13846	63.8
383.14920	86.1
383.24371	8.3
384.14929	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	383.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.0
53.03938	9.7
55.01859	20.5
55.05502	16.4
57.03433	12.7
58.84507	2.4
61.02917	7.3
64.19843	2.2
65.03933	6.1
67.05497	45.1
68.99785	12.8
69.03423	70.5
69.07064	10.3
71.01351	5.0
71.04979	12.4
71.43343	2.4
73.02893	6.0
77.03914	4.8
79.05484	46.4
79.34559	2.3
81.03411	68.3
81.07048	86.3
83.04975	23.7
85.02895	56.1
85.06534	4.4
87.00817	34.7
91.05470	46.3
93.06441	5.4
93.07034	100.0
95.01352	4.3
95.04967	51.0
95.05534	4.7
95.08595	28.4
97.02884	38.7
97.06525	11.6
99.04431	16.7
103.03922	13.5
103.05460	3.6
105.01853	13.7
105.04535	3.6
105.07020	73.9
105.07735	4.2
107.04946	14.7
107.08585	94.1
109.02865	29.5
109.06504	44.7
109.10143	45.4
111.04428	21.1
111.08067	6.1
115.03912	8.4
115.05430	3.2
117.01891	3.0
117.07003	11.7
118.27217	2.9
119.04919	3.0
119.08566	54.0
121.06498	17.6
121.10132	56.9
123.04405	47.7
123.08058	6.5
123.11685	16.5
125.02315	3.1
125.05990	12.2
125.09683	3.0
127.03917	28.8
128.06229	7.5
129.01851	11.2
129.05505	2.3
129.07014	8.3
130.07761	5.6
131.04819	2.3
131.08549	26.7
133.06494	9.9
133.10121	47.9
135.04414	3.3
135.08052	13.2
135.11671	49.6
135.12633	3.8
137.05965	10.9
137.09590	15.0
139.03937	2.9
139.07512	3.5
139.11069	2.6
141.05472	8.0
141.06975	6.0
142.07764	7.3
143.08496	14.2
144.09297	3.6
145.04973	4.9
145.06499	7.9
145.10109	36.1
147.02878	7.4
147.08037	10.9
147.11665	34.7
149.05998	12.0
149.09584	8.5
149.13229	6.3
151.03969	2.6
151.07555	11.4
151.11180	8.3
153.01842	8.4
154.07716	3.8
155.08568	8.3
156.09338	5.3
157.10089	17.2
159.02888	8.7
159.06906	2.7
159.08083	10.6
159.11671	30.4
161.05890	3.4
161.09612	9.0
161.13225	8.8
163.07570	4.6
163.11163	29.1
165.09090	2.5
165.12747	18.0
167.07019	6.5
167.08406	3.3
168.09303	3.3
169.10161	7.4
171.02934	3.1
171.11690	9.7
173.09642	11.0
173.13251	9.3
174.12039	2.4
175.07549	5.0
175.11197	18.0
177.09113	4.2
177.12688	16.6
179.06995	3.2
181.10097	4.6
181.12198	3.1
183.11714	6.9
185.09581	4.8
185.13304	3.9
187.11197	8.0
187.14807	3.6
189.03922	14.6
189.09129	4.7
189.12750	6.9
191.10669	5.5
193.12219	6.7
197.13269	8.7
199.11183	4.9
201.03969	3.5
201.09019	4.3
201.12727	11.0
203.10783	2.6
205.12251	4.7
207.13799	3.7
213.12759	5.3
215.14337	9.5
217.12245	3.0
219.13817	14.4
221.07916	7.0
225.12773	10.3
226.13107	2.9
227.17889	4.6
231.05075	2.8
231.13867	7.5
243.13762	35.1
258.44598	2.4
261.14828	39.3
277.28760	2.8
279.15945	8.9
285.09579	2.6
311.05539	2.7
315.10614	3.1
347.14844	9.5
347.23172	2.9
365.15900	17.7
383.11322	10.0
383.16852	25.9
383.21732	5.8
383.25827	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01883	14.9
55.05503	12.9
57.03421	12.4
57.07061	3.6
59.04964	3.2
61.02926	5.2
65.03941	4.2
67.05499	21.5
68.99777	11.9
69.03424	46.6
69.07060	5.6
69.29197	15.9
71.01352	6.2
71.04976	8.2
73.02926	5.7
79.05473	24.7
81.03405	35.1
81.07053	50.4
81.40071	2.7
83.04987	16.7
83.08621	4.6
85.02899	49.5
87.00823	22.6
91.05466	39.6
93.07036	100.0
95.04964	28.9
95.08589	24.4
97.02891	28.5
97.06516	7.0
99.04449	8.6
100.38859	2.8
103.03944	9.0
103.05466	4.5
104.10712	3.0
105.01842	7.3
105.04518	5.8
105.07017	58.5
107.04926	8.3
107.08578	74.3
107.09253	4.8
109.02878	18.7
109.06495	18.2
109.10149	24.7
111.04419	18.0
111.08037	3.0
113.02413	3.0
115.03909	8.7
115.05454	4.0
117.07003	12.4
119.04919	4.3
119.08559	33.5
121.06489	12.3
121.10135	41.3
123.04438	8.1
123.08071	6.3
123.11678	10.2
125.05969	5.2
127.03913	19.8
128.06273	2.8
129.01836	8.6
129.06975	12.8
131.08612	19.2
133.06505	7.4
133.10101	35.8
135.04440	4.4
135.08044	6.9
135.11676	39.6
137.05969	5.5
137.09595	7.1
141.06985	6.1
142.07813	7.5
143.08524	7.5
145.06439	6.9
145.10110	23.9
147.02841	4.2
147.08049	6.7
147.11667	28.7
149.05916	4.1
149.09639	5.5
149.13258	4.3
151.07535	6.2
153.12695	3.7
155.08519	6.3
157.06522	4.6
157.10089	8.4
159.02904	11.2
159.08026	7.8
159.11684	21.4
161.09610	9.4
163.11182	16.8
165.12698	17.3
167.08487	4.0
169.06432	5.1
169.10175	6.1
171.02710	3.6
171.11710	7.3
173.09610	10.1
173.13318	3.3
175.11226	15.1
177.12749	16.0
179.07104	3.2
182.10918	3.5
183.11641	6.8
187.07494	5.0
187.11166	6.4
189.03934	3.9
189.12764	7.9
191.08493	4.6
193.12221	3.2
197.13232	6.5
201.09019	4.8
201.12749	8.9
203.10670	4.2
207.11777	3.7
215.14290	6.9
217.10181	4.5
218.07201	3.4
219.08145	5.3
219.13773	6.3
220.08792	4.8
225.12672	4.3
231.08159	6.6
232.09039	3.0
233.09569	4.4
233.15282	4.8
243.13820	24.4
247.07558	12.8
248.08276	13.1
249.08929	4.5
259.07547	4.7
261.14813	36.8
262.09891	4.2
263.10516	6.4
264.07715	4.9
265.08783	3.6
275.06967	5.9
276.07706	8.3
277.08582	7.0
279.15842	8.3
290.09201	5.4
291.10040	14.0
292.07385	5.2
293.08167	7.5
307.09656	5.1
308.10385	7.1
315.08606	5.9
319.09637	6.6
321.07452	5.0
322.08289	3.1
323.12653	7.3
330.10782	4.0
337.10712	9.6
339.08615	4.9
347.14871	12.7
351.12234	18.5
352.13065	3.7
353.10245	6.5
365.16074	16.7
368.12378	7.9
383.10400	5.2
383.14731	44.1
383.21310	5.6
384.15131	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	383.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52804	8.7
55.05502	15.2
56.96568	23.8
57.03424	11.0
57.07063	11.6
59.04998	92.8
67.05485	29.5
69.03418	34.5
69.54874	12.9
69.55214	31.7
71.04971	10.1
71.44749	9.0
81.03407	26.7
81.07056	12.0
82.35628	8.3
83.04963	45.0
85.02900	63.1
85.06535	41.3
97.02893	28.8
98.22744	17.2
99.04505	10.6
101.05997	78.9
103.07568	54.7
109.02885	26.8
119.07043	30.3
121.08617	35.7
122.84087	8.6
127.03936	38.8
139.03873	9.4
140.33844	8.9
174.99026	16.8
205.06975	17.1
221.04227	16.9
227.09042	11.5
238.05267	13.6
245.10182	26.7
255.01579	13.1
291.22153	9.9
323.45154	9.1
341.94348	10.4
383.09283	24.6
383.13382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01865	21.7
55.05507	72.3
57.03432	23.9
57.07064	3.1
59.04975	2.8
65.03918	3.8
67.05496	79.3
69.03449	11.3
69.07059	35.8
71.04988	3.5
71.43146	2.2
71.43576	2.6
79.05486	75.2
81.03415	19.8
81.07048	100.0
82.07384	4.5
83.04973	32.8
83.08598	23.8
85.02898	9.0
85.06523	4.7
91.05461	34.8
93.07041	50.4
95.04973	24.0
95.08601	42.5
97.02886	3.4
97.06521	15.7
97.10153	55.2
99.04448	3.9
99.08109	3.4
105.07017	38.2
107.04948	10.2
107.08582	40.7
109.06496	10.7
109.10146	31.7
111.04438	20.0
111.08070	13.4
115.05403	3.3
117.07034	13.1
119.08566	34.5
121.06505	9.5
121.10116	20.4
123.08062	51.6
123.11716	5.2
125.09620	51.9
126.02753	2.4
128.06180	4.6
129.07014	7.2
131.08562	12.7
133.06477	4.4
133.10120	18.2
135.08040	8.4
135.11693	16.7
137.09598	9.5
137.13467	2.3
143.08594	7.0
145.10120	25.9
147.08035	11.3
147.11623	12.6
149.09596	6.9
149.13249	10.7
151.11227	2.3
153.09056	7.1
153.12738	9.9
156.48320	2.7
157.10124	7.4
159.11665	9.2
161.09618	6.9
161.13232	15.4
163.11159	27.3
165.09108	9.4
171.08159	2.8
171.10161	5.2
171.11620	5.1
173.09639	5.3
173.11734	3.6
173.13158	2.8
175.11092	5.0
175.14792	11.8
177.16383	4.2
181.12236	11.0
185.13176	4.5
187.14967	3.0
189.11211	53.3
189.12802	5.0
189.16360	6.5
191.10611	10.7
193.12219	7.7
211.13367	3.9
213.16420	2.7
223.13191	4.9
227.12753	15.3
227.17932	3.3
241.19414	5.2
245.18964	4.4
255.17421	2.8
263.20068	3.2
273.18509	24.1
291.19525	56.1
292.19800	7.0
304.71588	2.7
309.20480	3.9
309.62051	2.5
337.28821	7.5
347.22095	2.6
349.12665	4.4
365.23505	12.8
383.24573	16.3
383.28253	15.9
383.33307	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47182	5.7
55.01862	20.5
55.05508	30.1
57.03425	18.2
57.07047	8.9
61.02919	8.9
64.65369	5.6
65.03949	8.1
67.05498	30.8
69.03419	50.3
69.07056	27.5
70.30197	8.9
70.30553	9.0
71.01350	8.5
71.04976	50.7
73.02914	8.6
74.23612	5.5
79.05484	47.9
81.03403	23.4
81.06617	10.2
81.07050	100.0
83.04962	20.0
83.08592	6.8
85.02881	54.5
85.06547	6.6
91.05450	38.9
93.07033	71.3
95.04961	37.2
95.08595	80.1
97.02884	25.4
97.06526	21.3
97.10181	9.4
103.03931	17.2
105.03385	29.9
105.07014	89.0
107.04975	7.8
107.08584	73.4
109.02875	14.0
109.06510	17.8
109.10161	65.3
110.72552	6.2
111.04430	15.1
111.08060	12.6
113.09609	5.6
115.03945	6.5
115.05455	6.0
117.07020	20.0
119.08578	86.5
121.06491	17.7
121.10139	59.5
123.04428	12.3
123.08046	18.4
123.11685	21.8
123.93425	6.0
125.09617	25.2
127.03851	7.2
127.11203	29.5
129.06979	12.4
131.08585	40.3
133.10109	72.2
135.08089	20.2
135.11674	49.7
137.05994	8.4
137.09589	16.5
137.13260	11.0
139.07527	8.2
141.07033	7.4
142.07808	9.6
143.08554	32.3
145.06410	10.3
145.10103	45.6
147.07994	13.2
147.11667	61.9
149.13226	20.7
153.12743	17.2
154.35202	6.7
155.08595	10.3
157.10118	28.0
159.11671	60.5
161.06006	8.5
161.09560	10.0
161.13249	20.7
163.11258	6.3
165.12712	12.1
169.10092	13.2
171.11719	21.0
173.13237	25.9
175.11200	18.4
175.14850	14.5
177.12779	13.9
177.16380	7.3
181.10115	6.5
183.11617	12.4
185.13193	11.6
187.11238	9.8
187.14853	17.2
189.09213	6.5
189.16396	24.8
191.14252	7.4
195.11707	9.6
197.13223	16.2
199.11227	8.5
199.14838	6.7
201.12706	14.0
201.16354	22.7
203.17972	20.0
213.16385	10.6
215.17752	9.4
217.15927	8.5
219.17424	12.7
221.18961	7.2
223.14812	7.7
225.12846	12.6
231.17380	8.4
233.19104	12.4
239.17982	9.0
245.18956	16.9
257.19113	7.5
259.16833	6.9
271.45898	5.9
287.20013	10.2
311.19949	10.7
323.12640	7.6
329.21033	21.9
347.22079	17.6
353.09964	7.2
365.18658	7.4
365.23141	12.4
383.14835	19.1
383.19797	13.9
383.24716	33.9
383.29074	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01865	21.7
55.05507	72.3
57.03432	23.9
57.07064	3.1
59.04975	2.8
65.03918	3.8
67.05496	79.3
69.03449	11.3
69.07059	35.8
71.04988	3.5
71.43146	2.2
71.43576	2.6
79.05486	75.2
81.03415	19.8
81.07048	100.0
82.07384	4.5
83.04973	32.8
83.08598	23.8
85.02898	9.0
85.06523	4.7
91.05461	34.8
93.07041	50.4
95.04973	24.0
95.08601	42.5
97.02886	3.4
97.06521	15.7
97.10153	55.2
99.04448	3.9
99.08109	3.4
105.07017	38.2
107.04948	10.2
107.08582	40.7
109.06496	10.7
109.10146	31.7
111.04438	20.0
111.08070	13.4
115.05403	3.3
117.07034	13.1
119.08566	34.5
121.06505	9.5
121.10116	20.4
123.08062	51.6
123.11716	5.2
125.09620	51.9
126.02753	2.4
128.06180	4.6
129.07014	7.2
131.08562	12.7
133.06477	4.4
133.10120	18.2
135.08040	8.4
135.11693	16.7
137.09598	9.5
137.13467	2.3
143.08594	7.0
145.10120	25.9
147.08035	11.3
147.11623	12.6
149.09596	6.9
149.13249	10.7
151.11227	2.3
153.09056	7.1
153.12738	9.9
156.48320	2.7
157.10124	7.4
159.11665	9.2
161.09618	6.9
161.13232	15.4
163.11159	27.3
165.09108	9.4
171.08159	2.8
171.10161	5.2
171.11620	5.1
173.09639	5.3
173.11734	3.6
173.13158	2.8
175.11092	5.0
175.14792	11.8
177.16383	4.2
181.12236	11.0
185.13176	4.5
187.14967	3.0
189.11211	53.3
189.12802	5.0
189.16360	6.5
191.10611	10.7
193.12219	7.7
211.13367	3.9
213.16420	2.7
223.13191	4.9
227.12753	15.3
227.17932	3.3
241.19414	5.2
245.18964	4.4
255.17421	2.8
263.20068	3.2
273.18509	24.1
291.19525	56.1
292.19800	7.0
304.71588	2.7
309.20480	3.9
309.62051	2.5
337.28821	7.5
347.22095	2.6
349.12665	4.4
365.23505	12.8
383.24573	16.3
383.28253	15.9
383.33307	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.05505	22.4
57.07075	9.9
57.19328	3.4
58.45297	3.4
59.05002	7.0
67.05499	53.9
68.05821	3.4
69.03435	11.0
69.07065	11.1
69.18494	7.2
69.18896	15.2
71.04991	7.3
73.59784	3.2
79.05492	29.6
81.07048	44.4
83.04973	10.0
83.08627	8.3
85.06530	8.1
91.05476	44.0
93.07040	100.0
95.04956	34.2
95.08596	48.3
97.06539	11.3
103.05488	4.5
105.07018	87.7
107.08566	39.8
109.06506	25.6
109.10143	44.3
111.04463	6.1
111.08074	13.0
115.05441	5.3
117.07032	10.9
119.08562	51.0
121.06489	16.3
121.10129	43.7
123.08080	28.1
125.09579	4.5
128.06210	12.1
129.07022	8.3
131.08560	28.2
133.06497	5.9
133.10115	29.5
135.08037	26.9
135.11690	5.9
137.05989	9.2
137.09608	14.6
141.07011	6.4
142.07816	18.4
143.08549	26.1
144.09393	4.6
145.10123	40.0
147.08047	23.5
147.11691	13.3
148.08829	4.3
149.09612	28.2
151.07532	36.4
155.08603	8.9
156.09369	7.9
157.10123	33.2
159.08081	12.6
159.11668	18.0
160.08824	5.5
161.09534	19.9
161.13254	6.7
163.11214	9.1
165.09119	32.7
167.08589	3.3
169.10092	8.5
170.10915	5.7
171.11679	6.0
173.09651	6.8
173.11784	6.4
173.13243	10.4
175.11205	21.5
175.14827	7.0
177.09122	6.5
181.12265	4.7
182.10844	3.7
183.11696	5.8
185.13208	17.9
187.11290	7.6
187.14848	5.2
189.12755	9.9
195.11681	3.8
197.09564	4.2
197.13333	6.9
199.11224	4.7
199.14671	3.3
201.12776	9.7
203.14302	26.8
207.13808	10.5
209.13400	4.5
209.15305	4.5
215.14345	5.7
219.13797	5.1
221.15338	66.5
225.54025	4.4
227.14078	4.5
233.15395	4.7
234.16122	9.7
286.19339	5.0
287.20090	10.9
299.20062	7.3
303.19495	7.6
365.24557	10.9
370.17358	3.7
383.25748	65.3
384.25693	4.6
397.17459	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.63719	2.5
52.02826	2.2
52.58604	2.2
53.03941	3.3
55.01871	4.9
55.05511	17.1
55.46501	2.3
57.03454	2.3
57.07065	11.7
59.04985	6.1
65.03926	4.6
67.05500	57.3
69.03429	19.6
69.07071	12.9
71.04974	6.5
71.18440	4.2
79.05489	34.7
81.03409	3.2
81.07050	40.1
83.04977	9.5
83.08624	6.3
85.06535	7.5
85.81270	2.5
87.04449	3.1
91.05471	51.0
93.07041	100.0
95.04958	37.6
95.08594	45.5
96.05255	3.0
97.06522	14.8
105.04497	6.9
105.07023	84.8
107.08588	47.1
109.06513	26.3
109.10155	33.1
111.08101	13.6
114.30404	2.8
115.05446	3.7
117.06998	15.2
119.04908	3.3
119.08569	72.8
121.06500	16.9
121.10131	49.7
123.08041	35.3
123.08801	4.2
124.94628	2.6
125.05995	3.2
128.06210	9.2
129.06989	12.0
131.08563	32.6
133.06493	9.4
133.10107	32.6
135.08049	29.5
135.11697	4.1
137.06012	7.4
137.09587	10.0
141.06981	4.3
142.07802	17.6
143.08534	26.8
144.09299	5.0
145.10098	39.3
147.08029	22.1
147.11681	16.6
148.08696	2.9
149.09602	27.2
151.07518	43.0
155.08566	6.4
156.09302	6.7
157.10110	50.5
158.10649	2.8
159.08008	7.0
159.11717	16.5
160.08861	5.3
161.09612	25.6
161.13254	7.3
163.11169	8.1
165.09113	37.7
169.10100	5.8
170.10893	8.8
171.11652	7.0
173.09596	7.9
173.11845	4.1
173.13170	5.2
175.11185	23.5
175.14763	12.6
177.09097	9.4
179.08531	3.1
182.10904	3.7
183.11668	5.6
185.13205	18.2
187.11205	5.9
187.14836	5.1
189.12740	12.1
191.14204	4.8
194.10779	3.4
195.11703	6.3
197.09592	3.3
197.13254	4.2
201.12704	5.7
203.14310	31.3
207.12039	3.2
207.13806	17.9
209.13324	5.3
209.15234	3.3
211.11200	3.1
211.14922	3.6
213.16420	4.6
215.14316	9.4
219.13840	5.4
221.13376	3.5
221.15334	79.5
223.14729	3.7
225.12749	3.7
227.14221	3.6
230.60876	2.7
233.15271	5.5
234.16129	9.4
237.14769	4.8
243.13806	2.8
269.19101	3.4
281.19028	3.4
286.19336	5.9
287.20056	11.3
299.19971	7.3
303.19446	5.7
309.18488	4.5
309.81076	2.8
365.24658	13.1
383.25787	72.3
383.36841	4.2
384.25916	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.9
57.07056	12.8
59.04980	3.7
67.05502	38.2
69.03419	9.6
69.07073	7.4
71.04974	6.8
71.42235	3.7
79.05485	24.4
81.07040	32.9
83.04967	7.7
83.08613	2.9
85.06530	4.8
86.33797	3.3
89.06031	3.8
91.05468	33.2
93.07036	82.6
95.04964	27.1
95.08594	37.6
97.06503	10.9
103.05441	3.0
105.06358	3.5
105.07025	61.1
107.08578	41.3
109.06525	20.4
109.10136	20.9
111.04462	7.1
111.08059	11.2
117.07026	10.3
119.08556	44.7
121.06491	19.4
121.10130	42.7
123.08047	28.7
125.05988	3.7
128.06224	3.8
129.06990	8.2
131.08560	26.6
133.06487	6.4
133.10097	24.0
135.08025	21.3
135.11674	6.8
137.05994	9.9
137.09573	14.3
142.07774	15.3
143.08559	25.9
145.10118	37.2
147.08035	28.6
147.11667	21.5
149.09592	20.8
151.07541	37.4
153.09091	5.8
153.12715	3.7
155.08514	5.7
156.09271	5.3
157.10095	37.4
159.07948	6.8
159.11676	10.0
161.09579	23.5
161.13264	5.3
163.11148	8.6
165.09088	46.1
165.53816	2.9
169.10173	5.3
170.10869	5.4
171.11649	7.1
173.09695	7.5
173.11766	3.2
173.13208	7.5
175.11169	18.1
175.14783	6.2
177.09038	8.3
181.12193	6.7
183.11635	8.4
185.09726	4.0
185.13283	19.1
187.11142	6.9
188.11845	3.1
189.12703	11.3
195.11708	4.9
197.13228	5.9
199.11197	3.3
201.12769	6.7
203.14294	38.4
207.11885	3.5
207.13753	10.9
209.13303	6.8
209.15286	5.7
211.14745	3.8
213.12740	7.0
215.14377	5.3
219.13867	5.1
221.13203	6.8
221.15343	100.0
225.12624	3.5
227.14145	4.8
231.13666	4.4
233.15262	9.1
234.16168	9.8
287.20163	7.3
288.14255	3.2
299.20010	7.6
303.19464	13.3
347.23932	4.2
365.24625	10.4
383.25705	62.8
384.26154	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.53609	7.7
55.05501	19.9
57.03428	8.4
57.07068	11.0
59.05013	8.7
67.05496	47.3
69.03426	10.5
69.07051	15.9
70.03271	15.2
71.05003	8.3
79.05489	38.3
81.07057	50.8
82.53574	7.7
83.04970	9.6
83.08570	9.1
91.05466	67.9
93.07038	100.0
95.04940	32.7
95.08595	56.4
96.17400	8.7
97.06485	13.4
98.23055	17.9
104.78611	7.6
105.04517	8.2
105.07010	76.5
107.08594	40.0
109.06497	18.5
109.10131	19.8
111.08049	10.6
119.08572	48.5
119.09322	8.8
121.06556	8.9
121.10098	59.0
123.08070	19.9
129.06949	13.4
131.08554	29.3
133.10120	29.3
135.08028	11.0
135.11674	16.2
137.09596	10.1
142.07738	10.4
143.08565	14.2
145.10071	24.4
147.08018	32.0
147.11620	27.0
149.09570	20.9
151.07512	41.8
157.10101	36.2
159.08034	8.9
159.11667	24.8
161.09540	19.5
161.13286	9.5
163.11160	15.5
165.09071	49.3
175.11215	8.9
175.14781	10.0
185.13219	24.5
189.12700	13.4
203.14279	31.3
207.13626	11.0
221.15347	85.9
277.21582	20.7
287.20007	12.9
360.98541	7.9
365.24652	15.3
383.25458	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
54.70309	2.5
55.05514	15.9
57.03444	3.1
57.07079	12.5
59.04997	8.9
64.73637	2.5
65.03955	4.2
67.05500	39.7
69.03425	13.0
69.07063	12.5
69.30176	7.1
69.30562	5.1
71.04996	7.2
79.05485	28.0
81.07057	42.7
83.04968	7.9
83.08593	4.0
85.06550	7.1
91.05476	49.3
93.07042	100.0
95.04963	33.8
95.08597	47.9
97.06544	11.0
103.05495	2.8
105.04533	3.8
105.07024	87.9
107.04929	3.9
107.08585	43.3
109.06516	24.4
109.10141	37.8
111.08086	10.4
115.05467	3.2
117.07034	15.2
119.08575	59.7
120.09391	4.8
121.06493	12.9
121.10143	43.0
123.07233	4.5
123.08062	33.4
128.06210	10.7
129.07002	7.8
130.07761	4.7
131.08556	28.1
133.06520	10.6
133.10129	30.9
135.08058	24.9
135.11687	5.5
137.05984	3.6
137.09567	13.2
141.06978	3.4
142.07751	23.5
143.08557	29.0
144.09326	3.8
145.10110	37.2
147.08058	28.7
147.11670	20.2
148.08878	3.1
149.09627	23.6
151.05614	2.8
151.07547	43.6
153.09096	4.7
155.08566	7.0
156.09360	8.7
157.10112	44.1
158.10773	4.0
159.08069	9.3
159.11678	15.7
161.09604	18.1
161.11827	2.2
161.13268	9.2
163.11134	7.3
165.09109	49.3
169.10143	8.2
170.10907	10.3
171.11678	7.7
173.09570	15.8
173.11856	3.7
173.13254	9.0
174.10376	2.9
175.11176	26.5
175.14845	8.9
177.09113	8.6
183.11676	6.3
185.13187	18.2
187.11211	8.1
187.14825	4.2
189.12802	11.8
195.11751	5.0
197.13312	4.4
201.12749	6.5
203.14310	33.3
204.14694	2.8
207.12067	3.1
207.13716	14.0
209.13318	4.6
209.15369	6.0
211.11212	3.5
213.12819	3.5
215.14314	5.8
219.13809	4.0
221.13223	4.8
221.15359	91.2
222.15685	4.4
223.14822	3.8
225.12822	4.8
225.16451	3.4
227.14307	4.2
231.13712	3.4
233.15378	5.4
234.16183	11.2
243.13770	3.9
274.19281	4.0
286.19263	7.2
287.19980	5.7
298.83527	3.1
299.20053	4.5
303.19583	8.1
309.18344	3.9
365.24686	9.1
383.20493	7.4
383.25693	69.2
384.26193	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	383.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	37.0
56.83179	10.3
57.07073	26.6
64.58965	11.4
67.05498	33.7
69.07059	32.9
71.08619	25.4
79.05497	27.7
81.07051	61.3
83.04978	20.8
85.06570	16.9
86.55643	11.0
90.22064	12.8
93.07039	46.2
95.04941	11.1
95.08607	51.2
97.06540	17.4
99.08076	20.7
105.07008	13.2
107.04971	10.5
107.08571	56.5
109.06504	21.5
109.10182	29.9
111.04456	100.0
112.78693	11.8
118.54529	10.2
119.08567	14.4
121.10143	19.5
123.08054	33.2
125.05959	75.0
135.08031	16.5
135.11670	28.0
137.05940	98.2
139.17596	12.5
145.10127	22.2
147.11705	13.0
149.09512	14.1
153.12726	25.5
154.59801	10.2
163.11201	24.6
171.29703	11.4
178.55643	10.1
179.14297	47.6
181.12206	82.8
195.13759	28.2
221.18924	20.6
221.73712	11.6
249.18480	18.5
277.17984	41.6
291.19452	15.0
293.21170	27.8
347.25854	18.7
349.27386	60.0
350.28168	16.5
365.26987	25.4
383.27527	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.7
59.04989	10.6
65.49815	4.8
67.05503	5.1
68.35473	3.4
69.03402	4.7
69.07060	11.2
70.06571	4.8
70.69161	3.3
71.04961	18.9
79.05485	8.5
81.03397	7.9
81.06608	6.3
81.07049	51.9
85.02900	20.2
91.05475	4.4
93.07046	5.8
97.02882	11.3
107.08566	10.0
109.06459	3.8
109.10137	14.2
123.11713	12.4
127.03867	7.1
129.05493	7.7
139.11101	7.3
151.11163	22.4
153.01779	4.4
157.12221	13.6
164.05289	3.3
169.12216	30.0
187.05939	5.8
187.11578	4.8
187.13272	100.0
205.12381	4.5
205.14284	9.9
210.05927	5.0
222.11157	5.6
223.09384	6.0
238.05338	38.5
367.13574	10.2
382.76025	3.6
385.14664	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	385.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04469	14.3
70.48740	34.0
98.23112	36.7
124.34981	17.8
234.60776	14.6
345.42972	14.3
385.08966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11177	8.1
65.33920	7.9
66.37811	9.3
70.26958	21.6
91.20842	7.4
98.22965	18.7
118.03497	13.5
119.01904	11.2
123.17488	8.4
124.58247	8.6
141.05162	12.1
159.06155	14.3
161.07774	20.5
165.76045	8.2
187.05688	22.3
193.13771	8.1
205.06662	9.6
285.09210	12.4
287.07333	14.5
342.79703	9.4
385.08841	100.0
386.08820	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	385.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.8
69.03420	2.6
70.03321	2.9
70.06594	2.8
70.54403	1.3
81.03438	2.2
82.99866	2.0
85.02888	4.0
86.99345	1.6
97.02884	7.6
98.97569	9.5
101.00867	27.9
102.00967	1.3
109.02865	3.8
113.00856	5.1
116.98597	5.7
119.01904	71.2
120.02049	3.2
127.03914	1.7
131.01895	21.8
133.02782	2.3
136.06242	1.9
137.02948	14.4
139.02452	2.2
142.43469	1.4
143.01891	32.6
144.01976	1.5
145.03476	13.1
147.04271	1.5
148.90132	1.2
149.02942	2.9
155.01869	18.4
157.03441	9.7
161.02942	100.0
162.03093	8.6
163.04541	2.3
167.01927	3.2
169.03389	1.8
173.02953	28.1
174.03043	2.7
175.04546	5.1
177.05469	3.6
179.01958	3.5
179.03979	2.9
183.01466	1.6
184.02153	21.6
184.04643	1.9
185.02948	24.7
187.04482	7.5
190.95438	1.9
191.04050	3.1
193.27249	1.3
197.02945	33.2
197.04630	2.1
199.04523	1.7
202.03242	8.2
203.03972	19.5
207.01430	2.2
208.02113	9.8
209.03020	1.9
210.03717	2.4
215.04005	5.9
219.01691	1.6
221.03030	2.4
221.04996	6.9
223.04480	2.7
226.03168	12.4
227.03938	6.4
232.02185	5.6
232.96448	1.7
235.04494	2.5
238.03252	4.8
239.03949	2.1
240.04721	2.7
241.05568	11.9
244.02121	1.9
244.04306	5.2
245.05045	59.6
246.05234	4.1
247.04500	3.2
250.03145	20.2
252.04733	1.8
253.05586	9.1
258.99783	1.7
259.04190	1.5
262.03165	7.8
263.03473	2.9
263.06049	17.5
265.05615	10.2
268.04315	2.5
274.97592	2.9
277.05554	3.3
279.00558	3.2
283.06598	16.7
295.06503	3.2
310.05280	32.9
311.05402	3.9
313.07681	1.5
325.07635	13.2
326.02289	4.5
328.06473	1.8
343.08649	6.8
344.03311	2.9
359.02841	1.4
364.05527	1.5
385.09808	69.2
385.25653	3.1
386.10059	7.5
404.08868	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
57.54578	0.4
62.01733	0.3
63.14766	0.4
65.03940	2.2
65.42497	0.4
67.05490	0.5
68.99777	0.5
69.52035	2.1
72.71147	0.4
78.18761	0.4
80.04393	0.4
82.45478	0.4
85.02926	0.4
91.05476	1.6
93.03416	0.5
95.01321	0.5
95.04960	1.4
98.22907	1.3
103.05420	0.4
105.03385	0.4
107.04939	0.5
110.03655	1.7
111.04439	1.8
114.59801	0.3
115.05463	1.2
119.04919	0.6
121.02849	1.2
121.06469	0.5
123.04417	0.4
125.06005	1.6
128.06194	0.6
129.07008	0.5
131.04938	1.0
133.64532	0.4
135.04399	0.6
137.02402	0.5
137.05905	0.7
138.03085	0.6
141.06967	0.5
144.05695	0.8
145.06572	0.9
146.07242	0.4
147.04411	0.6
149.02332	0.6
151.03908	1.1
152.06215	0.9
153.05467	3.0
153.06877	0.8
155.04926	0.5
159.08070	1.1
161.05948	0.9
165.05739	0.8
165.06976	3.3
166.07715	1.1
167.08580	1.3
168.05608	0.6
169.06430	0.6
173.05907	0.6
177.05576	0.6
177.06992	0.8
178.07762	2.7
178.77641	0.4
179.08560	3.1
180.09425	0.6
181.05046	0.9
181.06494	2.0
181.10075	0.5
182.07234	1.2
183.08073	0.9
185.06065	0.8
189.05414	0.7
189.06912	2.3
190.07759	1.4
191.07095	0.6
191.08549	3.1
192.05650	0.6
193.04947	0.6
193.06476	1.2
193.10110	0.8
194.07225	1.9
195.08073	3.3
197.05965	1.1
197.09602	0.9
198.06595	0.4
202.07774	1.4
203.08501	2.1
205.06491	2.5
206.07227	2.0
207.08015	4.4
208.08829	2.0
209.05980	1.3
209.09621	2.0
210.06772	1.3
211.07503	3.3
212.08261	0.7
213.09148	0.6
215.08649	0.7
218.07286	3.0
219.08017	4.3
220.05278	0.7
220.08765	1.6
221.05913	2.9
221.09601	1.2
222.06798	2.6
223.07524	3.4
224.08244	2.6
225.08968	2.5
226.09857	0.6
227.06966	1.2
228.07639	0.5
231.08008	1.8
232.08813	1.1
233.06004	1.3
233.09695	1.4
234.06816	2.9
235.07504	6.7
236.04781	0.6
236.08167	3.1
237.05452	1.2
237.09084	3.0
238.06181	1.7
238.09810	1.0
239.07034	2.9
239.10703	0.9
240.07703	0.6
241.08543	0.9
245.05925	0.5
246.06766	1.1
247.07545	3.9
248.08299	3.3
249.05470	1.1
249.09077	4.5
250.06232	2.4
250.09856	1.1
251.07043	4.6
251.10637	1.5
252.07834	2.6
253.08559	3.7
254.05560	0.5
254.09401	1.5
255.10124	1.5
257.08212	0.5
259.07520	0.8
260.08267	0.6
261.05426	0.9
261.09091	1.7
262.06213	0.7
263.07034	3.6
263.09595	0.5
264.07742	4.3
265.08603	5.4
266.09329	1.1
267.06653	0.9
267.10159	5.0
268.07526	0.8
268.10495	0.6
269.08130	0.5
269.11667	0.6
271.09720	0.5
274.06296	0.7
275.07013	1.3
276.07690	1.3
277.08588	2.9
278.09271	2.2
279.06567	1.5
279.10138	5.2
280.07242	1.3
280.10553	0.5
281.08084	4.1
281.11411	1.0
282.08838	1.7
283.09641	1.7
285.11148	0.6
289.08408	0.6
290.05933	0.6
290.56793	0.4
291.06494	1.1
291.10153	1.4
292.07367	1.1
293.08054	1.8
293.11310	0.5
294.08945	1.1
295.09555	4.2
296.10077	0.8
297.08044	0.5
297.11005	2.0
305.07962	0.6
306.08780	0.8
307.09619	25.1
308.10211	2.6
309.07681	0.6
309.10983	3.7
310.08380	0.8
311.09042	1.1
313.10712	1.0
321.11264	0.9
323.09070	6.6
324.09665	1.2
325.10687	4.6
326.11224	0.5
329.13785	0.6
337.10764	2.1
338.11252	0.9
339.12283	2.7
353.09607	0.5
355.11850	2.4
357.13309	2.0
367.11765	1.4
370.10468	0.6
385.12790	100.0
386.13110	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	385.1282
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01855	1.7
57.54578	0.4
62.01733	0.3
63.14766	0.4
65.03940	2.2
65.42497	0.4
67.05490	0.5
68.99777	0.5
69.52035	2.1
72.71147	0.4
78.18761	0.4
80.04393	0.4
82.45478	0.4
85.02926	0.4
91.05476	1.6
93.03416	0.5
95.01321	0.5
95.04960	1.4
98.22907	1.3
103.05420	0.4
105.03385	0.4
107.04939	0.5
110.03655	1.7
111.04439	1.8
114.59801	0.3
115.05463	1.2
119.04919	0.6
121.02849	1.2
121.06469	0.5
123.04417	0.4
125.06005	1.6
128.06194	0.6
129.07008	0.5
131.04938	1.0
133.64532	0.4
135.04399	0.6
137.02402	0.5
137.05905	0.7
138.03085	0.6
141.06967	0.5
144.05695	0.8
145.06572	0.9
146.07242	0.4
147.04411	0.6
149.02332	0.6
151.03908	1.1
152.06215	0.9
153.05467	3.0
153.06877	0.8
155.04926	0.5
159.08070	1.1
161.05948	0.9
165.05739	0.8
165.06976	3.3
166.07715	1.1
167.08580	1.3
168.05608	0.6
169.06430	0.6
173.05907	0.6
177.05576	0.6
177.06992	0.8
178.07762	2.7
178.77641	0.4
179.08560	3.1
180.09425	0.6
181.05046	0.9
181.06494	2.0
181.10075	0.5
182.07234	1.2
183.08073	0.9
185.06065	0.8
189.05414	0.7
189.06912	2.3
190.07759	1.4
191.07095	0.6
191.08549	3.1
192.05650	0.6
193.04947	0.6
193.06476	1.2
193.10110	0.8
194.07225	1.9
195.08073	3.3
197.05965	1.1
197.09602	0.9
198.06595	0.4
202.07774	1.4
203.08501	2.1
205.06491	2.5
206.07227	2.0
207.08015	4.4
208.08829	2.0
209.05980	1.3
209.09621	2.0
210.06772	1.3
211.07503	3.3
212.08261	0.7
213.09148	0.6
215.08649	0.7
218.07286	3.0
219.08017	4.3
220.05278	0.7
220.08765	1.6
221.05913	2.9
221.09601	1.2
222.06798	2.6
223.07524	3.4
224.08244	2.6
225.08968	2.5
226.09857	0.6
227.06966	1.2
228.07639	0.5
231.08008	1.8
232.08813	1.1
233.06004	1.3
233.09695	1.4
234.06816	2.9
235.07504	6.7
236.04781	0.6
236.08167	3.1
237.05452	1.2
237.09084	3.0
238.06181	1.7
238.09810	1.0
239.07034	2.9
239.10703	0.9
240.07703	0.6
241.08543	0.9
245.05925	0.5
246.06766	1.1
247.07545	3.9
248.08299	3.3
249.05470	1.1
249.09077	4.5
250.06232	2.4
250.09856	1.1
251.07043	4.6
251.10637	1.5
252.07834	2.6
253.08559	3.7
254.05560	0.5
254.09401	1.5
255.10124	1.5
257.08212	0.5
259.07520	0.8
260.08267	0.6
261.05426	0.9
261.09091	1.7
262.06213	0.7
263.07034	3.6
263.09595	0.5
264.07742	4.3
265.08603	5.4
266.09329	1.1
267.06653	0.9
267.10159	5.0
268.07526	0.8
268.10495	0.6
269.08130	0.5
269.11667	0.6
271.09720	0.5
274.06296	0.7
275.07013	1.3
276.07690	1.3
277.08588	2.9
278.09271	2.2
279.06567	1.5
279.10138	5.2
280.07242	1.3
280.10553	0.5
281.08084	4.1
281.11411	1.0
282.08838	1.7
283.09641	1.7
285.11148	0.6
289.08408	0.6
290.05933	0.6
290.56793	0.4
291.06494	1.1
291.10153	1.4
292.07367	1.1
293.08054	1.8
293.11310	0.5
294.08945	1.1
295.09555	4.2
296.10077	0.8
297.08044	0.5
297.11005	2.0
305.07962	0.6
306.08780	0.8
307.09619	25.1
308.10211	2.6
309.07681	0.6
309.10983	3.7
310.08380	0.8
311.09042	1.1
313.10712	1.0
321.11264	0.9
323.09070	6.6
324.09665	1.2
325.10687	4.6
326.11224	0.5
329.13785	0.6
337.10764	2.1
338.11252	0.9
339.12283	2.7
353.09607	0.5
355.11850	2.4
357.13309	2.0
367.11765	1.4
370.10468	0.6
385.12790	100.0
386.13110	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	385.128
Annotation	Gliocladin C
Peak:m/z	Relative Intensity
55.01856	2.5
55.13520	0.8
57.92425	0.8
65.03928	1.9
70.50491	1.8
79.05486	0.8
91.05466	2.0
95.04951	2.0
96.18151	0.7
103.05470	1.2
105.07029	1.3
106.30162	0.7
107.04932	0.8
110.03643	2.4
110.11157	0.8
111.04456	1.7
112.36628	0.7
115.05453	1.1
121.02846	0.9
121.06535	1.1
122.02445	0.9
125.05970	2.1
128.06206	0.9
145.06424	0.9
147.20544	0.8
151.03874	1.9
152.06216	1.5
153.05466	3.0
153.06955	1.4
165.06958	3.9
166.07751	1.4
167.08513	1.8
170.15378	1.2
177.06992	1.3
178.07727	4.0
179.08536	2.5
181.04953	1.0
181.06479	2.6
183.08018	1.2
185.05995	1.5
189.06992	3.0
190.07747	2.9
191.08553	3.5
193.06448	1.8
194.07251	3.1
195.07976	4.7
197.05917	1.3
197.09682	1.7
198.06726	1.1
199.07492	1.1
200.69872	0.8
202.07813	1.6
203.08565	2.2
205.06476	4.0
206.07257	2.5
207.08034	4.4
208.05104	1.1
208.08768	2.6
209.09520	1.9
210.06735	2.3
211.07539	3.6
213.05576	0.8
218.07289	3.2
219.08018	4.2
220.08696	1.9
221.05992	3.5
221.09486	1.6
222.06770	4.1
223.07439	4.3
223.11166	1.0
224.08284	2.7
225.05635	0.9
225.09073	2.4
226.06311	1.0
227.07025	1.1
231.08047	1.7
232.08728	1.0
233.05856	1.0
233.09442	1.2
234.06787	2.9
235.07536	8.5
236.08197	4.4
237.05392	1.5
237.09045	4.2
238.06270	2.0
238.09724	1.1
239.06967	3.0
239.10608	1.2
240.07635	1.6
241.08519	2.2
245.05984	0.9
246.06789	1.5
247.07536	4.7
248.08330	2.5
249.05469	2.2
249.09161	5.5
250.06186	2.5
250.09637	1.3
251.07069	5.4
251.10640	2.2
252.07741	3.2
253.08545	4.2
254.09239	1.1
255.06720	0.9
255.10056	1.9
261.05417	0.8
261.09033	1.2
262.06561	0.8
262.09671	1.0
263.07037	4.6
263.10458	1.3
264.07791	4.4
265.08539	6.8
266.09174	2.2
267.06567	2.2
267.10120	5.2
269.08008	1.0
269.11575	0.9
275.07126	1.3
276.07788	2.5
277.08505	3.8
278.09378	3.2
279.06705	2.3
279.10178	5.3
280.07297	1.2
281.07892	5.2
282.08783	2.4
283.09653	2.4
292.07385	2.0
293.08151	3.8
293.11401	1.0
294.08871	1.5
295.09543	4.7
297.11191	1.9
307.06311	1.1
307.09583	25.1
308.10101	2.3
309.07684	1.7
309.11230	3.5
310.08252	1.1
311.09015	1.3
313.10699	1.8
323.09018	5.5
324.09634	1.2
325.10663	3.9
337.10666	1.7
339.12308	2.3
355.11694	2.4
357.13126	2.2
384.32568	1.1
385.12766	100.0
386.13150	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	385.1281
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.58730	0.4
53.64560	0.5
55.01861	1.5
55.74277	0.5
57.03421	0.7
62.91761	0.4
62.92078	0.4
65.03925	2.0
67.05478	0.6
69.51106	1.1
69.51498	0.9
79.05470	0.5
84.96139	0.4
85.02883	0.8
91.05472	1.5
93.03395	0.9
95.04932	0.9
97.06512	0.5
103.05434	0.6
105.03377	0.7
105.07042	0.8
107.04917	0.6
110.03650	2.0
111.04426	1.4
115.05452	0.9
119.04979	0.6
121.02850	1.1
121.06490	0.8
123.04434	0.5
125.05980	2.6
128.06180	1.0
131.04930	0.8
133.06544	0.5
137.05942	0.7
141.07001	0.5
144.05652	0.7
145.06458	1.1
146.07224	0.5
146.08511	0.5
147.04341	0.9
148.05185	0.5
149.02318	0.9
149.76903	0.5
151.03880	1.3
152.06166	1.1
153.05453	3.3
153.06755	0.8
159.04469	0.5
159.07993	0.7
161.05963	1.0
163.03841	0.8
165.06952	4.1
166.07774	1.3
167.08546	1.3
168.05684	0.4
169.06480	1.1
171.04305	0.5
173.05983	0.4
175.07614	0.6
176.04828	0.6
177.05432	0.7
177.06972	0.9
178.07738	3.2
179.08543	2.5
180.09329	0.5
181.05025	1.0
181.06480	2.2
182.07266	1.2
183.08061	0.8
185.06013	0.8
187.07452	0.5
189.06978	1.8
190.07835	2.4
191.07050	0.6
191.08524	2.8
192.05611	0.7
193.06508	1.7
194.07275	3.1
195.08032	3.3
197.05939	0.9
197.09668	1.1
198.06801	0.9
199.07491	1.0
201.07059	0.4
202.07733	1.4
203.08559	2.1
204.09323	0.7
205.04915	0.4
205.06487	2.9
206.07201	2.5
207.08072	4.5
208.08804	1.9
209.05983	1.8
209.09598	1.8
210.06758	1.3
211.07518	3.2
212.08292	0.8
213.09077	0.8
215.08359	0.5
218.07289	2.9
219.07991	4.4
220.05135	0.5
220.08739	1.6
221.05939	3.6
221.09596	1.4
222.06706	2.9
223.07523	4.0
223.11102	0.7
224.08247	2.6
225.05437	0.6
225.09102	2.8
226.06146	0.7
226.09949	0.5
227.06985	0.9
227.10724	0.7
231.08005	2.2
232.08788	1.4
233.05904	1.1
233.09557	1.5
234.06706	2.8
235.07486	8.2
236.04694	0.6
236.08263	4.1
237.05457	1.1
237.09016	4.3
238.06200	2.0
238.09987	0.6
239.07005	2.0
239.10617	1.6
240.07817	1.1
241.08469	0.9
246.06697	1.1
247.07449	4.3
248.08206	2.7
249.05440	1.6
249.09068	3.9
250.06163	2.4
250.09885	2.0
251.07016	5.3
251.10590	1.5
252.07866	3.2
253.08524	4.4
254.09380	1.4
255.10106	1.9
259.07449	1.1
261.05560	0.6
261.09116	2.1
262.06155	1.0
262.09845	0.6
263.06940	3.4
264.07761	3.7
265.08585	5.4
266.05911	0.5
266.09326	1.8
267.06537	1.9
267.10138	5.1
268.07233	0.7
268.10690	0.8
269.11673	0.6
271.09653	0.8
274.06262	1.2
275.07104	1.5
276.07809	1.4
277.08514	3.2
278.06198	0.5
278.09180	2.2
279.06491	2.3
279.10141	4.9
280.07285	1.5
280.10706	0.5
281.08044	3.7
282.08844	1.5
283.09741	1.9
284.10294	0.8
289.08493	0.5
291.06500	0.8
291.10071	0.9
292.07358	1.1
293.08127	2.7
293.11127	0.7
294.08884	1.1
295.09668	4.9
296.10376	0.7
297.08099	0.5
297.11240	2.2
299.09122	1.3
305.07965	0.7
307.09598	27.4
308.10211	2.4
309.07675	0.9
309.11020	3.5
310.08286	1.2
311.09134	0.8
311.12680	0.6
313.10690	1.1
319.09460	0.5
321.11017	0.9
322.08157	0.8
323.09106	6.1
324.09714	1.3
325.10654	4.9
336.09924	0.5
337.10703	2.4
338.11292	0.8
339.12216	2.7
355.11743	2.5
357.13348	1.8
367.11563	1.3
385.12769	100.0
386.13107	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	385.1466
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
59.25204	0.3
60.25965	0.3
69.52235	1.0
69.52616	0.7
70.04150	0.3
70.06233	0.6
70.06584	6.3
86.09667	0.6
88.60468	0.4
98.23124	1.1
100.11262	0.4
119.88123	0.4
123.04433	0.6
136.73170	0.3
139.54990	0.3
151.04015	0.4
152.55858	0.4
153.01854	2.5
177.05470	2.9
191.06941	0.4
231.79782	0.4
311.09253	0.5
353.12076	0.8
385.14636	100.0
386.15137	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	385.1466
Annotation	His Asn Asp
Peak:m/z	Relative Intensity
53.65229	0.7
56.84809	0.8
69.10439	4.9
69.25066	0.8
81.07053	0.9
85.02853	0.8
98.22709	1.8
98.23396	2.4
103.14970	0.7
105.07001	1.5
117.14458	0.8
119.08450	0.7
137.06030	1.0
161.05978	0.9
167.06851	0.9
185.04240	0.9
223.07240	1.4
223.09375	24.7
311.80469	0.9
325.12390	3.0
385.14456	100.0
385.18356	10.4
386.14902	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	385.1468
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
50.24319	0.7
53.41839	0.5
56.96537	1.1
66.83476	0.6
68.54407	0.7
70.06596	2.0
73.95508	0.7
78.88991	0.6
81.45087	0.6
88.02218	0.8
98.97595	2.2
105.07027	3.4
110.97581	0.9
115.05496	1.1
116.98610	1.1
128.98650	1.1
133.06453	3.6
143.00154	1.1
148.78812	0.6
156.00945	0.7
161.05965	6.6
166.41220	0.6
167.07077	1.4
177.00757	0.9
177.05344	0.9
188.02403	1.7
193.08546	4.9
206.03398	1.5
214.04074	0.7
219.01820	1.0
223.05801	2.2
223.48457	0.7
224.02275	1.1
237.02831	1.9
242.03349	7.8
251.09239	1.3
251.15910	0.7
260.04422	6.3
266.03351	0.9
284.04459	1.0
296.32675	0.7
385.11102	5.8
385.14719	100.0
386.07709	10.3
386.15021	4.8
404.08548	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	385.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
69.10063	4.5
70.06581	0.8
75.92589	0.6
79.05472	1.1
80.00385	0.6
81.07066	0.9
87.82501	0.6
93.07049	1.1
95.56433	0.6
105.06982	0.8
107.04945	1.0
107.08583	0.9
107.78247	0.6
109.06551	0.7
134.77449	0.7
137.05917	1.2
145.10161	0.7
149.02238	0.6
155.08591	0.6
161.02116	0.8
167.07065	0.7
185.04144	1.2
189.08975	0.9
215.06944	0.7
223.09398	24.3
223.12808	1.0
296.06046	0.7
325.12662	4.2
385.14502	100.0
385.18417	10.2
386.14835	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	385.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
54.49001	1.2
57.03454	1.4
61.02914	1.8
69.03421	1.8
69.14607	2.5
69.15016	3.9
70.06586	1.6
76.48517	0.9
76.60971	0.9
85.02904	8.1
91.05489	2.5
97.02884	2.2
109.46360	1.1
117.05758	2.0
118.06529	39.6
119.06833	1.2
130.06514	28.6
131.07263	2.5
132.08061	8.0
142.06543	2.3
144.08058	6.9
145.05026	1.3
146.05994	24.4
160.07558	33.0
161.07875	1.9
165.36003	1.1
170.06001	12.3
188.07042	35.5
189.07401	1.6
206.08102	100.0
207.08478	3.8
241.08679	1.3
248.09166	1.5
334.65793	1.3
385.14474	2.0
385.18317	41.3
386.18832	2.6
397.25543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05578	0.4
69.56728	1.7
81.07035	0.4
91.05488	0.7
95.04922	0.5
105.06960	0.6
117.07011	0.5
129.70145	0.5
131.04878	0.5
137.05875	0.5
151.03905	0.8
151.07504	0.7
161.05942	0.7
175.07495	0.7
204.07571	2.1
205.08264	0.7
210.80237	0.5
263.07083	0.5
325.28391	0.6
385.16183	100.0
386.16495	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	385.183
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
52.92789	0.3
53.82608	0.3
69.03422	0.6
69.07708	2.7
79.05498	0.6
81.07039	0.7
91.05480	1.1
93.07044	1.4
95.04971	0.6
95.08598	0.7
105.07027	1.3
107.08589	0.6
117.07052	0.5
119.08593	1.1
121.06474	1.8
121.10123	0.4
123.08060	0.8
135.08025	1.1
137.05032	0.4
137.06001	0.9
137.09624	1.5
142.07806	0.4
143.08583	0.9
145.10127	0.9
149.09593	0.5
157.10103	0.5
159.08104	0.4
159.11745	0.5
171.08098	0.5
171.11708	0.5
173.09613	1.5
175.11197	0.5
177.27977	0.4
185.09575	0.5
185.13190	0.5
187.11226	0.6
195.11688	0.6
197.13252	0.4
201.03748	2.2
205.12268	0.5
207.13536	16.5
208.13976	0.6
213.12796	0.5
215.14355	0.4
223.13141	1.1
229.15860	0.5
249.14789	0.4
309.18445	0.5
332.10107	0.4
349.21854	0.7
367.22641	1.3
385.18347	100.0
385.23563	9.6
386.18671	6.8
386.23618	0.7
404.15405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.183
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
53.03938	0.5
55.01855	0.5
55.05503	0.7
67.05501	1.1
69.03428	2.3
69.17193	2.9
70.06596	0.8
71.59226	0.4
79.05479	1.1
81.03425	1.3
81.07056	1.2
83.05006	0.9
85.02902	1.8
87.00838	0.5
91.05489	0.8
93.07045	0.7
95.04949	2.5
95.08611	0.4
97.06532	0.5
99.04459	1.0
105.07038	0.6
107.08564	0.5
109.02858	0.5
109.06508	1.2
109.10164	1.9
111.04445	0.6
112.93988	0.4
118.06577	1.8
121.06492	0.6
124.63143	0.4
127.03949	1.0
130.06487	1.1
135.08020	1.0
137.06010	1.0
137.09605	1.6
146.06010	1.3
154.80913	0.4
155.10721	0.5
160.07571	1.4
161.06024	0.5
177.09183	0.6
188.07065	1.0
203.05255	0.7
205.12239	0.6
206.08099	4.2
207.06551	0.5
211.59724	0.5
217.99069	0.4
223.13112	1.8
236.15958	0.4
245.12083	0.4
385.18332	100.0
386.14465	0.6
386.18732	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	385.1831
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
55.05505	1.5
58.02956	1.5
59.20882	0.5
65.77972	0.4
69.03431	0.4
70.06591	3.9
70.75991	0.8
71.06934	0.5
80.86040	0.5
81.03413	1.1
82.06584	0.6
82.42300	0.4
83.08605	0.7
84.04523	1.0
88.78469	0.4
91.05496	2.0
98.22917	0.7
100.07599	1.0
100.11238	4.1
106.02959	0.8
111.04462	1.5
114.09161	5.9
124.03991	1.0
128.07121	0.8
129.63098	0.4
130.05028	0.8
142.08629	5.2
165.69197	0.5
177.05475	0.7
182.15393	3.6
209.16518	0.6
210.14870	4.4
223.09453	0.7
227.17589	0.9
228.15981	0.9
236.29419	0.4
241.19168	1.7
244.20264	1.6
258.21765	1.7
269.08542	0.7
327.14090	3.6
329.01956	0.5
337.21280	1.1
354.24100	0.7
367.27142	0.9
368.25327	2.9
385.14532	12.0
385.18454	100.0
385.27939	2.6
386.14877	1.2
386.18912	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	385.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95295	0.4
65.30910	0.5
69.03436	0.9
69.31067	2.2
69.31474	0.9
69.67636	0.5
70.06597	3.4
71.24845	0.5
78.26513	0.5
78.76195	0.6
81.03411	0.6
85.02906	3.0
92.32892	0.5
94.24837	0.5
97.02901	0.7
99.71519	0.5
103.05438	0.5
117.05752	0.6
118.06541	15.0
119.06841	0.5
130.06537	10.7
131.07271	0.5
132.08102	3.9
142.06494	0.7
144.08038	3.1
146.06021	8.5
154.05035	0.6
160.07567	12.3
161.08008	0.9
165.73563	0.5
170.06018	5.4
172.07632	0.7
177.05487	0.7
188.07063	11.7
188.98108	0.5
201.03658	3.9
202.34500	0.4
205.12254	1.0
206.08125	40.0
207.08377	1.6
207.13661	3.6
220.25227	0.6
223.09477	0.8
280.66171	0.6
313.14371	0.6
385.18332	100.0
386.14578	0.5
386.18860	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	385.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93762	0.5
69.03418	0.8
69.70254	1.5
72.64683	0.5
84.41850	0.5
85.02917	0.6
91.05476	0.7
92.17767	0.5
92.36585	0.5
95.08591	0.7
96.13413	0.5
98.22756	1.1
137.05952	0.6
153.01804	1.4
161.06038	0.8
167.06972	1.0
179.04993	0.6
201.03674	3.1
205.12166	0.6
207.13539	16.5
223.09596	1.3
223.13074	1.4
232.98524	0.6
320.09125	0.5
347.52707	0.5
385.18268	100.0
386.18677	7.3
403.83951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
53.10544	3.2
55.05501	4.5
57.07064	9.0
59.04985	4.6
61.02947	3.1
62.03340	2.9
63.16441	2.9
67.05499	11.9
69.03412	9.0
69.07053	5.5
69.11178	11.5
69.11585	10.9
71.04989	6.7
74.33742	3.0
79.05476	13.6
81.03381	3.7
81.07029	10.0
83.08587	3.5
84.08127	6.4
85.06532	6.8
87.04400	3.5
91.05480	18.5
93.07033	28.2
95.04947	12.1
95.08604	19.3
97.06506	6.4
98.22698	6.8
98.59472	3.8
99.04428	6.8
101.51146	3.5
105.07032	33.4
107.08591	41.8
109.06513	14.0
109.10134	6.4
111.04375	4.1
111.08060	17.4
117.07010	12.9
119.08559	35.9
121.06545	4.3
121.10133	12.8
123.08066	38.7
129.06978	6.1
130.07758	5.2
131.08562	28.4
133.06488	5.7
133.10107	12.8
135.08029	12.7
135.11670	36.5
137.05943	25.2
137.09567	4.7
143.08507	10.3
144.09322	13.4
145.06502	4.7
145.10117	40.1
147.08031	16.6
147.11632	4.7
149.09619	11.0
151.07530	90.6
151.11047	3.9
152.07901	3.2
153.09074	5.9
155.08511	3.5
156.09297	5.1
157.10118	11.6
157.12233	3.8
159.08041	19.2
159.11667	54.7
161.09604	17.1
161.13243	5.2
162.10390	9.8
163.11162	36.0
165.09096	13.5
169.10132	7.5
171.11716	7.0
172.08798	6.3
172.65004	3.7
173.09659	6.2
173.13165	3.6
177.09085	17.8
177.12730	43.0
177.43439	3.3
183.11674	5.7
185.46358	3.2
187.11163	35.0
189.12732	18.9
203.14339	6.0
205.12228	65.9
207.13765	11.6
209.15305	5.8
215.14038	3.7
221.15421	8.4
229.12207	3.9
286.19278	18.0
311.16553	6.5
367.22659	13.2
385.23581	100.0
386.23972	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1597
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
52.54410	0.5
55.01890	0.8
66.96524	0.5
68.99778	1.1
69.55631	1.4
69.56024	1.1
70.06582	100.0
71.06914	1.4
79.05464	0.9
80.36833	0.5
81.07054	0.9
83.17023	0.7
91.05470	0.9
103.05461	0.7
107.04964	1.2
110.96201	0.5
119.04928	1.9
121.06482	2.7
123.04412	10.9
124.06249	0.6
131.04936	0.9
135.04433	1.6
147.04378	7.3
149.05936	4.6
159.04388	0.6
161.06029	0.7
165.05452	4.2
167.07172	0.7
168.11192	0.6
177.05443	56.2
178.05818	3.1
189.10602	0.5
207.06601	1.7
234.11163	3.7
329.10135	9.9
379.14053	0.7
383.38904	0.6
386.15671	43.9
387.16336	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	386.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.1
57.03415	1.1
58.06594	1.5
59.61066	0.7
61.02926	2.9
62.03573	0.8
63.63286	0.8
69.03429	6.2
71.42463	1.0
79.05492	1.3
81.03411	3.6
85.02898	14.9
87.04440	1.1
91.03973	1.3
91.05486	2.4
97.02879	5.1
103.05462	5.2
105.07021	13.6
107.04985	1.6
109.02869	1.1
118.06551	6.3
120.08097	12.5
127.03907	3.1
128.06212	3.1
130.06485	1.0
131.04913	2.5
131.07330	2.2
132.08038	1.1
138.05469	2.0
143.08549	2.6
145.02831	0.9
145.04979	1.8
160.11206	58.7
161.11543	2.5
163.03902	3.5
178.12259	52.4
179.12544	2.1
183.02985	1.2
196.06062	1.3
196.11922	0.8
205.66051	0.9
206.11752	11.7
224.12793	100.0
225.13110	5.3
248.38266	1.0
270.01050	0.9
343.13654	3.0
386.14331	2.7
386.18359	3.6
387.11874	6.8
387.16949	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	386.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51855	4.3
57.03427	15.2
58.33649	4.1
61.02907	6.7
69.03423	73.2
70.06586	7.0
73.02909	6.3
75.12452	4.4
79.09543	5.6
81.03409	11.2
85.02898	100.0
87.04469	40.9
97.02880	63.6
101.44845	4.3
109.02847	9.6
115.03916	83.5
117.33311	4.7
127.03930	21.9
133.04948	92.4
145.04942	46.8
150.07683	5.8
160.23244	5.7
163.05992	16.1
164.15337	5.8
278.22818	5.5
289.03537	6.4
301.12042	6.3
327.34354	4.9
343.13449	28.3
380.66119	4.7
386.14694	8.7
387.11795	50.0
387.16913	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.3
55.53170	3.2
57.03435	26.1
59.04995	4.3
61.02926	7.6
69.03423	70.7
70.06602	3.9
70.78519	5.7
73.02911	10.9
81.03402	4.4
85.02898	100.0
87.04459	45.4
97.02878	64.7
99.04435	7.1
102.31438	3.5
109.02888	8.0
115.03919	67.3
127.03864	21.9
133.04950	88.8
145.04945	32.0
150.07613	8.7
161.05894	7.6
163.03912	14.8
163.06026	23.3
177.05444	3.5
206.11742	3.8
241.08595	14.2
287.08936	5.4
343.13605	35.8
351.10544	5.2
370.43588	4.3
386.14307	7.0
387.12479	95.6
387.16422	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	386.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.4
55.05499	6.2
57.03436	2.6
57.07064	12.8
61.02929	1.5
67.05502	1.4
69.03418	5.1
69.07063	2.5
70.79696	2.5
72.08064	1.2
73.02908	1.5
73.06535	2.6
79.05476	3.2
81.03420	3.4
83.04968	1.5
83.08611	2.2
85.02893	19.5
85.06506	1.5
89.06023	73.6
91.05461	7.5
91.17722	1.4
93.07048	2.1
95.05017	1.4
97.02884	6.8
97.06530	11.3
99.04412	1.5
101.09646	12.9
103.05447	1.5
105.07015	2.5
107.04924	2.0
107.07072	4.4
109.02890	2.4
121.06444	2.0
123.04370	1.5
123.08066	4.4
127.03912	4.6
133.08583	22.5
137.05971	15.7
145.04945	2.4
145.10147	1.3
145.12219	14.8
151.03879	13.2
151.07639	3.0
151.09636	30.8
161.05980	3.8
161.09634	2.5
162.06296	3.1
163.03915	2.7
163.07622	2.0
167.07043	4.3
173.05943	1.5
175.07550	2.0
181.04956	4.4
183.11832	1.4
189.09081	2.3
193.04965	2.8
203.91446	1.3
207.10229	3.0
207.15892	100.0
208.16231	4.1
209.36523	1.4
217.81975	1.2
225.14903	1.4
235.09612	3.2
237.90077	1.2
259.09619	9.0
287.09137	1.6
305.10223	4.1
309.08624	2.3
313.26599	1.5
351.10727	3.2
386.14862	5.0
387.14371	5.5
387.19125	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06344	0.8
56.96551	3.2
59.29751	0.9
69.43729	4.0
69.44067	1.0
70.06609	0.8
72.13019	0.9
81.03387	1.0
98.22708	0.9
98.97559	3.8
116.98565	1.2
128.98572	1.1
139.03624	4.5
142.89383	0.9
151.07494	1.1
161.01228	1.2
167.03236	2.4
167.07074	1.4
167.08775	0.8
182.99657	6.2
188.02252	1.4
201.00700	12.6
219.01711	3.7
237.02827	1.7
242.03288	2.8
243.03621	3.5
260.04446	2.8
261.04669	2.8
276.07660	1.1
283.08035	1.1
301.08972	14.9
301.12347	2.0
325.08661	1.3
327.03793	4.6
343.09958	44.7
343.13547	3.6
344.10312	1.4
345.04709	1.6
387.08771	100.0
387.16760	15.3
388.09164	7.7
405.09070	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	387.126
Annotation	Axitinib
Peak:m/z	Relative Intensity
54.40248	0.6
55.75323	0.6
69.03410	2.8
70.12488	1.2
76.98495	0.6
78.03437	1.0
81.03400	2.8
85.02892	3.5
86.03207	0.6
88.39425	0.5
94.16988	0.7
96.04486	0.9
97.02863	1.9
106.02917	7.0
109.02863	1.2
124.03104	1.3
124.03947	16.6
124.04875	0.8
127.03905	1.4
131.04951	1.0
133.04924	1.3
139.07277	3.3
145.04945	1.0
151.07588	0.7
153.01820	1.7
153.34239	0.6
167.07031	0.9
177.05611	0.8
225.10925	0.7
227.05217	2.4
236.11790	0.7
242.08908	0.8
246.08182	0.7
250.07188	1.5
268.08154	9.9
271.04239	0.7
289.03317	1.0
301.12531	8.5
325.12711	1.7
341.02902	0.7
343.13589	44.3
344.13974	2.3
354.94168	0.8
369.11499	1.4
387.12491	100.0
387.16422	17.2
388.12686	5.8
395.42264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64765	0.9
52.29956	0.8
55.05517	1.3
59.05002	5.2
59.05234	1.0
60.84349	0.8
63.40405	0.8
69.03427	2.1
71.04957	0.8
71.42986	0.8
78.03448	2.5
81.03406	3.5
85.02879	2.5
89.06023	2.7
93.50838	0.9
94.20526	0.8
96.04499	1.2
97.02878	2.0
97.65410	0.9
103.07585	5.9
106.02907	8.0
109.02869	2.4
124.03940	22.5
127.03914	1.8
131.04936	1.0
133.08549	1.0
137.05942	2.0
138.18170	0.9
139.07347	2.9
146.16727	0.9
163.03896	1.4
164.04184	1.0
167.07011	1.6
186.10008	0.8
201.01286	0.9
209.13788	7.5
225.10957	2.1
227.05280	1.7
232.06108	1.1
250.07088	1.5
268.08127	11.7
285.04175	1.0
289.03287	2.5
297.04144	1.1
301.12521	8.2
313.03540	1.2
315.01239	1.3
325.12350	1.5
343.13589	45.4
344.13815	2.0
369.11542	1.1
387.12469	100.0
387.16391	58.4
388.12805	3.4
388.17218	5.1
392.07385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01864	0.5
55.05511	0.4
57.03410	0.4
57.07056	1.0
65.03925	1.1
66.04727	0.5
67.05508	2.5
69.03411	1.2
69.07067	0.3
71.43365	0.4
75.28579	0.3
79.05468	1.4
81.03407	1.0
81.07034	0.6
83.04961	0.4
85.02885	1.3
85.06058	0.4
85.06540	7.3
85.17580	0.2
91.05466	1.1
93.03391	0.3
93.07011	0.4
94.04176	3.3
95.04958	0.7
95.08624	0.3
97.02893	0.6
97.06525	0.5
103.07539	0.3
105.07008	0.8
107.04930	0.8
107.08598	0.4
108.02104	0.3
109.02896	0.5
109.06509	0.8
115.05438	1.5
117.07004	1.4
119.08569	0.7
122.03633	7.7
123.04443	0.5
123.08037	1.3
125.05970	0.4
127.03918	0.5
131.07039	0.8
137.05965	100.0
138.06310	2.0
141.09096	0.5
143.04921	2.4
145.06482	2.0
147.07994	0.7
151.03908	2.2
151.04958	0.6
151.07556	0.3
153.05449	0.7
155.06007	1.0
161.05937	0.3
161.09634	0.8
165.09071	0.7
165.59242	0.3
167.07025	9.0
171.04367	0.3
171.06487	0.8
173.05939	3.0
174.06602	0.3
175.07562	0.7
177.09055	0.4
179.10715	0.3
181.04939	10.5
189.05435	0.3
203.07036	1.1
205.08569	1.9
207.10110	0.4
207.13823	1.0
225.14857	0.6
233.08022	1.5
235.09662	2.1
241.07350	0.3
306.10440	0.3
357.13278	11.8
358.13693	0.7
369.13525	0.3
369.20798	0.3
387.14392	23.8
387.20010	3.5
388.14703	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02391	0.9
51.40875	0.9
55.01862	1.9
58.88927	0.7
58.92402	0.8
59.98922	0.8
61.08085	0.8
65.03928	3.2
67.05515	2.0
67.78795	0.8
69.65280	3.3
79.05479	3.0
81.03409	0.8
81.07059	1.0
85.02882	1.9
91.05470	1.9
93.03397	1.2
94.04184	2.7
95.04948	2.6
99.98179	0.8
102.04698	1.5
103.05458	17.0
105.03337	1.2
105.07046	1.4
106.69774	0.7
107.04930	2.8
108.02105	1.3
110.03599	0.9
111.04396	1.4
115.05449	2.7
117.07005	2.9
118.04140	4.2
119.04915	1.2
122.03635	11.3
125.05990	1.1
129.07008	1.1
131.04907	16.7
133.02824	1.7
133.06476	2.8
135.08078	1.0
137.05957	100.0
138.03102	1.0
138.06310	3.6
141.05447	1.0
143.04903	3.6
145.06483	4.2
148.05190	10.0
149.05981	1.0
151.03894	41.9
151.04976	3.6
153.05473	2.1
155.06058	1.2
161.05870	1.0
163.07518	19.3
165.05444	0.9
167.07034	13.9
167.68066	0.9
171.06506	1.7
173.05994	4.8
175.07544	1.6
176.04626	2.2
181.04933	31.0
187.07587	1.3
191.07004	57.9
192.07426	2.4
193.08600	1.1
198.06621	0.9
203.06981	2.1
205.08592	2.5
209.08049	1.4
233.08083	1.7
235.09634	3.9
237.08873	1.2
247.07603	1.0
249.09035	0.9
263.09012	1.4
265.08548	1.0
277.08640	1.6
337.10886	1.5
350.65607	0.9
355.11679	3.1
357.13321	12.2
358.13025	1.1
369.13129	1.4
387.14301	23.3
388.14954	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
51.63278	1.7
55.01873	3.7
65.03933	19.9
79.05492	2.0
82.04195	4.2
85.02922	4.2
91.05459	4.9
92.77905	1.7
93.03380	5.7
94.04157	1.9
95.01309	2.2
95.04965	6.5
97.06519	2.2
105.04542	2.5
107.04910	4.2
108.02074	3.0
110.03645	15.0
111.04445	10.8
115.05450	3.6
116.06214	2.4
119.04920	2.0
121.02845	30.1
121.06425	2.9
122.03623	3.6
123.04371	2.3
125.05963	13.5
128.06253	2.2
131.04892	3.5
133.06493	2.3
137.05960	59.0
138.06230	2.0
144.05687	2.1
145.06480	5.6
146.07256	3.6
149.02350	2.1
151.03889	3.2
151.07567	2.5
152.06197	3.0
153.05458	46.0
153.06790	1.5
153.44740	2.0
154.05789	1.9
159.08063	9.7
161.06000	3.9
165.07053	6.1
167.07051	8.2
167.08443	2.7
171.06569	2.7
173.06001	2.0
175.07500	2.6
178.07799	3.6
179.08574	3.2
181.04976	36.3
181.06546	4.2
182.07301	3.8
183.06488	2.8
187.07576	9.4
189.06996	2.4
191.08556	3.9
193.06654	2.2
193.08658	4.3
194.07277	3.8
195.08090	5.4
196.08713	2.1
197.06061	2.4
197.09691	3.9
198.06839	2.4
199.07568	2.8
203.06937	2.3
205.06508	4.3
206.07175	2.6
207.08032	5.3
208.08826	4.5
209.06093	1.8
209.09564	2.7
210.06757	3.5
211.07556	5.6
217.08525	11.8
218.07294	3.7
219.08025	8.1
220.08844	4.3
221.06055	4.6
221.09460	1.8
222.06743	2.5
223.07527	9.0
224.08369	5.1
224.34642	1.8
225.09100	7.0
226.06190	6.7
226.09729	2.5
234.06694	4.3
235.07469	6.3
236.08237	11.2
237.05449	2.6
237.09079	4.6
238.06291	4.0
239.06982	13.8
239.10684	4.2
241.08566	2.5
243.06375	2.0
247.07495	4.2
247.09753	6.9
249.09137	3.7
250.06166	2.4
251.07021	4.8
251.10661	4.1
252.07761	5.2
253.08586	21.1
254.09387	7.9
255.10190	3.3
263.06882	2.6
264.07858	3.2
265.08539	7.6
267.10074	4.4
268.07098	2.9
269.11624	6.2
270.09106	2.2
279.10239	5.6
281.08041	6.3
282.08908	3.8
283.09631	5.7
295.09589	5.3
296.10400	2.3
297.07703	3.4
297.11038	17.5
298.11581	3.0
299.09167	4.0
299.12512	2.4
307.09576	3.4
311.12772	5.8
313.10635	7.1
314.11014	1.7
325.10672	71.4
326.11340	7.0
327.12210	8.4
329.13770	27.3
337.10745	5.3
339.12280	4.6
355.11719	2.6
357.13290	100.0
358.13470	7.6
369.13174	3.8
387.14243	17.7
388.14755	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
65.03933	2.5
66.04704	0.7
66.47536	0.8
67.69347	0.9
70.79191	1.2
72.09175	0.8
77.03945	0.7
79.05504	1.5
81.03413	1.5
82.04210	1.0
85.02896	1.9
91.05476	1.5
93.03404	1.7
94.04191	3.0
95.04957	1.4
102.44296	0.8
102.90160	0.7
103.05457	13.2
105.07065	0.9
107.04935	2.4
108.02100	1.3
109.06500	1.1
110.03675	0.9
115.05443	1.3
117.07029	2.3
118.04127	4.1
120.50340	0.8
121.06526	0.9
122.03626	7.4
122.76840	0.8
123.04411	1.3
131.04903	12.2
133.02882	1.1
133.06512	2.0
137.05963	100.0
138.03113	1.0
138.06290	2.5
143.04941	3.6
145.06476	2.4
146.03673	1.8
147.04393	1.0
147.08006	0.9
148.05156	10.0
149.05971	1.0
151.03896	36.5
151.04970	2.7
152.04347	1.0
153.05457	2.4
161.06030	0.9
163.07515	14.4
164.07803	0.9
165.05449	0.8
167.07030	13.0
171.06555	1.6
173.05933	4.9
175.07574	1.9
181.04938	27.7
181.22174	0.7
191.07013	54.0
192.07458	1.5
193.08640	1.2
203.07069	2.6
205.08649	1.8
209.08025	2.2
233.07993	1.2
235.09564	2.1
238.64357	0.8
263.08984	1.0
291.10480	0.8
305.08234	1.1
320.37659	0.9
337.10483	1.4
349.34891	1.0
351.12198	1.5
355.11807	1.9
357.13214	11.8
369.13535	0.9
383.68542	0.9
387.14328	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
51.29853	2.3
52.92103	2.1
55.01868	15.8
61.31939	1.9
63.47439	2.0
65.03947	4.5
70.70856	4.1
70.71178	2.1
78.04711	6.2
79.05477	15.8
89.03943	2.3
91.05467	11.3
95.04944	11.7
103.05447	11.5
105.07048	3.1
107.04932	26.9
107.35503	2.2
109.52325	2.0
110.38905	2.2
115.05441	11.5
117.06995	5.2
117.23627	2.3
118.04167	2.5
119.04894	3.0
121.06497	4.1
122.03608	5.8
123.04404	15.0
124.05222	6.3
130.04135	3.3
131.04893	25.3
132.05710	6.4
133.06526	3.2
134.03610	7.8
135.04417	2.8
137.05965	34.0
140.04692	4.0
143.04929	3.8
144.05733	5.8
145.02823	2.6
145.06477	4.5
147.04485	4.5
148.05139	3.8
149.06009	3.3
151.03886	7.4
152.04718	7.1
153.05495	4.3
155.04874	7.3
155.05989	2.6
159.04379	5.0
160.05205	5.1
161.05925	5.5
162.03122	2.6
163.07472	3.8
165.05478	3.3
165.06953	2.8
167.07011	94.7
168.07236	2.8
171.04404	4.8
172.05193	4.6
173.05933	4.6
174.06689	3.1
175.07552	13.8
176.04677	3.4
177.05473	12.5
177.06883	3.8
178.07753	10.5
179.08485	2.5
181.04907	8.0
181.06351	3.8
183.04449	2.5
185.05978	5.7
187.07527	6.8
188.04736	2.5
189.07013	9.0
190.07721	4.9
191.07027	27.4
191.08589	9.1
192.07733	7.7
194.07268	3.8
195.06485	28.6
195.08049	3.8
202.07788	12.4
202.09413	2.4
203.06860	11.9
203.08594	10.6
205.06482	14.0
206.07234	13.5
207.08070	5.7
208.08926	2.9
215.07042	15.0
217.06425	7.8
218.07272	10.1
219.08020	22.6
220.08772	7.9
221.05923	7.9
221.09584	8.6
222.06787	2.9
223.07607	4.4
230.07262	2.5
231.08006	20.9
232.08607	2.5
233.05962	10.4
234.06671	21.7
235.07443	11.7
236.08163	5.5
237.09059	4.9
238.09892	2.8
244.05295	3.7
245.06010	3.6
246.06810	8.2
247.07474	19.5
248.08183	17.6
249.05450	4.8
249.09045	20.9
250.06288	6.5
251.07040	10.3
252.07809	3.1
253.08562	4.3
258.06772	7.9
259.07382	13.1
260.08176	4.2
261.05484	10.1
261.09030	7.3
262.06311	9.5
263.07028	12.6
263.10526	4.0
264.07751	9.1
265.08557	11.0
266.09308	3.1
267.06375	3.2
267.10196	2.8
272.04663	4.8
273.05377	6.3
275.06857	11.4
276.07770	18.9
277.08521	23.8
278.05759	2.8
278.09201	7.3
278.42819	2.5
279.06494	8.3
279.10150	22.8
280.07101	3.3
280.10489	2.4
281.08212	3.3
281.11600	2.3
287.06976	23.1
288.07581	3.9
289.08554	4.7
290.05914	4.2
290.09375	6.0
291.06659	5.3
291.10095	20.0
292.07278	7.6
293.07965	14.4
294.08752	5.4
295.09598	5.3
297.11160	4.9
304.07202	8.7
305.07999	49.2
306.08731	11.4
307.06262	3.6
307.09515	26.1
308.10229	7.7
309.07736	4.2
309.11026	17.9
314.11493	3.0
319.09613	44.8
320.10324	9.5
321.07578	5.8
322.08221	5.1
323.09271	4.9
324.09854	6.2
325.10559	8.9
336.09592	3.4
337.10626	100.0
338.11035	13.3
339.08469	4.4
339.12161	34.5
342.10950	5.8
351.12155	39.1
354.10822	4.4
357.13162	19.4
369.13287	29.7
387.14304	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	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02374	0.5
53.03945	0.5
55.01865	1.2
59.24700	0.5
65.03929	3.8
66.04722	0.8
67.05488	2.2
69.03424	1.5
70.77600	0.5
75.48134	0.5
77.03902	0.7
78.04715	0.6
79.05477	3.0
81.03396	1.7
81.07032	1.2
82.04202	1.0
85.02901	2.6
88.02407	0.5
90.84420	0.5
91.05473	3.2
93.03391	0.7
93.07037	1.3
94.04176	3.1
95.04957	3.1
95.08590	1.3
97.02892	0.9
97.06510	1.6
102.61739	0.5
103.05453	12.0
105.03360	1.0
105.07017	2.4
107.04963	3.5
107.08569	0.7
108.02068	1.7
109.02909	0.5
109.06528	0.7
109.10161	0.9
110.03646	1.6
111.04426	1.1
115.05434	3.5
117.07014	2.8
118.04155	3.8
119.04954	0.9
119.08605	1.1
121.02846	2.3
121.06501	0.9
121.10184	0.6
122.03629	8.5
123.04433	1.5
124.05308	0.6
125.05957	1.3
127.03897	0.6
129.06999	0.8
130.04117	1.5
131.04916	11.1
131.08585	0.6
132.05670	0.8
133.02834	2.0
133.06525	2.9
133.10144	0.7
135.04485	0.5
135.08047	0.9
137.05962	100.0
138.03078	0.5
138.06302	2.8
141.05472	1.2
142.56297	0.6
143.04932	3.5
145.06454	3.1
146.03636	1.0
147.08054	0.6
148.05164	7.7
149.05946	1.2
151.03900	31.4
151.05014	3.4
152.04385	0.8
153.05412	3.1
155.06035	1.3
159.08070	0.6
161.05934	2.5
161.09579	0.9
163.07532	12.8
165.05429	0.6
165.06969	0.6
165.09142	1.3
167.05713	0.9
167.07042	11.9
171.04346	0.6
171.06477	2.6
173.05962	4.8
175.07523	2.8
176.04684	1.3
181.04935	36.6
182.05400	1.0
185.13319	0.6
187.07541	0.9
189.07143	0.5
191.07013	39.3
192.07451	0.8
193.08624	0.9
194.07228	0.5
203.06982	2.8
205.08571	2.0
207.08107	1.1
209.08069	1.4
219.08063	0.9
221.05966	0.8
223.07451	0.6
225.08997	0.7
227.07126	0.7
233.08072	2.2
235.07428	1.0
235.09578	1.4
236.08224	1.3
237.09122	0.7
239.06897	0.6
243.57047	0.5
250.06366	0.7
251.10667	0.6
253.08611	1.6
254.09407	0.8
263.09195	0.7
265.08453	1.2
267.10147	0.6
277.08612	1.4
279.10065	0.8
295.09427	0.9
297.11102	1.2
299.09204	0.6
309.11060	0.6
311.12781	0.6
313.10675	0.6
320.77664	0.5
325.10840	2.3
326.11115	0.8
327.12170	0.6
329.13882	2.9
351.11993	0.8
355.11719	1.9
357.13275	17.9
358.13535	1.5
369.13196	1.1
387.14294	24.1
388.14853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
65.03916	0.4
67.05499	0.5
69.03439	0.5
70.01640	0.6
70.01970	0.7
70.06583	1.4
79.05495	0.8
80.54892	0.4
81.03401	0.6
81.07044	0.5
84.04495	0.5
84.43289	0.3
85.02881	0.7
86.09718	0.5
91.05473	0.5
95.04952	0.5
95.08617	0.6
98.23142	1.0
105.07011	0.5
107.04945	0.6
109.10149	0.7
119.08553	0.5
125.96405	0.3
130.04970	0.8
131.90283	0.3
133.10118	0.7
137.05946	0.8
137.09610	1.5
147.08046	0.4
151.03920	1.0
151.07573	0.6
161.09608	2.4
165.09116	1.8
167.07028	0.8
189.09129	0.7
193.57373	0.4
203.05260	2.9
207.10010	1.8
207.13925	0.8
225.07590	0.5
225.10960	10.3
229.15445	0.4
284.80420	0.4
289.17633	0.9
343.17175	3.0
344.17911	0.4
387.16202	100.0
388.16537	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	387.1627
Annotation	Macrosphelide K
Peak:m/z	Relative Intensity
57.36810	0.3
58.01182	0.4
58.98742	0.4
61.03398	0.4
67.05493	0.5
69.03419	0.9
70.06583	1.7
79.05490	1.0
81.07024	0.4
84.04501	0.6
85.02900	0.8
89.55769	0.4
91.05488	0.7
95.08603	0.6
99.04451	0.5
99.35919	0.4
102.13979	0.3
105.07021	0.5
107.04974	0.8
109.10171	0.9
119.08570	0.7
125.75506	0.4
130.05011	0.8
133.10143	0.5
137.09604	1.2
147.08043	0.4
151.03899	0.6
151.07530	0.7
161.09642	2.1
162.38025	0.4
165.09088	2.2
167.07057	0.6
189.09096	0.4
191.07033	0.9
203.05255	2.5
207.09990	1.8
207.13788	0.5
221.41777	0.4
225.10970	9.1
247.70531	0.4
289.17386	0.5
343.17291	3.8
387.16232	100.0
388.16592	7.4
388.21429	0.7
406.95935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03928	3.3
55.01858	2.6
55.05509	6.3
57.03422	3.0
67.05498	14.1
69.03418	11.0
69.07067	1.0
69.77510	1.8
71.01324	1.2
71.04981	5.3
73.02913	1.4
73.62714	0.8
77.03925	1.2
79.05488	17.7
80.05817	0.9
81.03406	4.3
81.07055	9.5
83.04980	6.1
85.02897	8.6
86.09696	0.9
91.05476	17.8
93.07042	6.2
95.04959	9.8
95.08604	5.7
97.02889	5.4
97.06519	8.3
99.04456	15.2
103.05466	1.0
105.04507	1.5
105.07017	19.1
106.00089	0.8
107.04941	15.0
107.08603	4.2
109.02880	2.5
109.06509	13.4
109.10147	44.7
110.10477	1.4
111.04449	5.9
115.05450	1.4
117.07008	3.5
119.04930	1.0
119.08569	14.8
121.06496	6.2
123.04428	0.9
123.08044	1.9
125.05969	2.9
127.03902	3.3
128.06197	8.3
129.06958	3.1
131.08507	1.8
133.06456	1.9
133.10117	14.2
135.07997	1.3
137.05959	3.2
137.09602	65.4
138.09920	3.1
142.73891	0.9
143.08556	16.4
145.06474	1.7
145.10072	3.4
146.07292	6.3
147.08028	17.0
148.08463	0.9
151.07523	1.6
159.07892	0.9
161.09605	100.0
162.09929	3.1
163.11130	4.0
165.09105	89.7
166.09454	3.7
167.07054	1.6
171.08046	2.6
174.06740	2.3
176.52148	0.8
179.07019	1.2
179.10646	13.0
189.09097	23.9
190.09483	1.3
193.08525	2.7
197.11757	2.0
205.08495	0.9
206.68059	0.9
207.10147	25.8
207.13609	1.4
208.10376	0.8
225.11089	7.8
369.15735	0.9
387.16159	51.7
387.19940	3.4
388.16711	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
52.47912	0.1
53.03942	0.3
67.86904	0.1
69.03424	0.2
69.73859	0.4
77.03926	0.5
79.05483	4.8
79.05946	0.3
81.03406	0.5
85.02897	0.3
91.05480	0.3
93.07021	0.3
95.04965	1.7
97.61333	0.1
98.22817	0.2
103.05457	2.9
105.07017	100.0
106.07349	2.9
110.55853	0.2
119.04936	1.5
121.06491	0.2
126.00302	0.1
127.03908	0.2
245.08121	0.2
272.22552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94250	4.9
53.03919	4.7
55.01887	4.9
55.05503	8.0
63.13110	4.7
67.05499	24.0
69.03413	34.8
69.07048	7.4
70.06590	20.1
70.81710	8.5
71.04964	6.4
79.05488	32.6
81.03413	17.2
81.07051	26.4
83.04974	14.2
85.02917	16.9
91.05466	12.3
93.07037	12.2
93.46275	5.7
95.04956	11.6
95.08620	7.6
97.02887	10.7
97.06547	9.9
99.04453	14.7
101.08584	4.9
102.93038	4.5
105.07002	26.5
107.04939	24.8
107.08575	9.0
109.02887	7.8
109.06511	11.7
109.10157	49.5
111.04441	7.3
114.60715	4.7
117.06970	8.4
119.08579	16.2
121.06543	10.1
123.08041	7.3
125.06009	7.8
127.03921	8.5
128.06194	7.1
133.10083	23.9
137.05952	36.1
137.09604	63.0
139.11136	6.0
143.08554	20.8
145.06462	6.6
145.10114	9.0
146.07263	5.9
147.08063	14.3
151.03937	6.3
151.07555	5.1
161.09596	100.0
162.10008	5.1
165.09105	78.8
167.07045	10.3
179.10645	13.1
181.04926	8.8
189.09114	22.7
189.12767	6.5
207.10181	18.9
207.13745	26.5
217.26933	4.4
227.68466	4.6
268.87875	5.3
287.74493	6.2
325.77756	5.8
352.20129	5.8
387.15155	10.4
387.20074	26.3
388.23267	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	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15332	1.4
67.05504	1.7
69.03414	1.9
69.14661	7.1
70.06606	1.9
71.04989	1.5
72.08157	1.4
79.05476	3.0
81.03407	1.8
84.08136	1.6
85.02890	1.7
91.05492	2.1
93.07031	2.1
95.04922	1.7
95.08601	6.1
97.02854	1.3
98.23080	6.3
99.04421	1.3
105.07046	3.0
107.04916	2.2
109.10140	5.1
111.04427	1.3
119.08569	3.7
123.08073	2.5
126.05528	1.5
133.10146	1.5
137.05968	1.5
137.09634	5.7
143.08583	2.7
147.08141	2.0
149.09566	1.3
151.03923	3.8
151.07530	2.1
161.09616	9.1
165.09157	7.8
167.07014	2.6
181.04956	1.9
189.09059	2.4
207.10146	4.2
207.13818	4.2
225.07585	2.3
225.10945	47.5
329.08087	1.2
343.17358	1.8
387.16190	100.0
388.16458	7.2
402.23398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15219	1.1
61.02899	1.4
67.05491	2.9
69.03439	5.5
69.27789	3.5
69.28194	1.8
69.39958	0.9
71.35178	1.2
74.88370	1.1
79.05470	2.6
81.03412	1.9
81.06354	1.0
81.07048	1.6
83.04968	3.5
85.02904	11.4
87.60309	1.0
91.05473	2.4
91.66285	0.9
93.07034	3.0
95.04954	2.5
95.08606	4.9
97.02904	4.5
97.06535	2.7
99.01174	0.9
99.04437	1.5
99.08078	3.4
100.63277	0.9
105.07031	3.5
107.04933	1.6
107.08595	2.1
109.02848	1.9
109.06513	7.8
111.04440	4.4
119.08624	1.8
121.06484	1.9
121.10146	3.0
122.03702	0.9
123.08064	100.0
124.08379	3.0
125.09624	1.9
126.01383	0.9
127.03919	3.4
133.10118	1.2
135.11623	1.1
137.05998	7.1
137.09680	1.2
145.04930	2.1
145.10104	1.5
147.11690	1.1
149.09615	4.2
151.03848	1.9
151.11137	1.8
163.11182	3.4
167.07001	1.3
167.10672	3.6
181.04956	3.6
181.12204	6.9
189.12781	1.3
192.18495	1.0
196.66028	1.2
207.13721	5.4
225.14793	7.0
328.44653	1.0
387.14886	1.5
387.20010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01857	0.6
57.03424	1.0
57.07059	1.0
59.05002	0.8
59.75177	0.5
60.04456	0.6
61.02941	0.5
67.05493	2.4
69.03104	0.8
69.03426	6.8
69.30316	2.6
73.02901	0.6
78.03449	10.6
80.05013	2.9
81.03413	12.7
85.02898	7.1
85.06532	2.2
87.04406	0.5
96.04478	2.4
97.02898	3.1
99.04444	1.6
103.07593	3.7
106.02908	44.7
107.03295	1.0
109.02865	7.4
121.08628	0.8
124.03941	100.0
125.04256	2.8
125.12309	0.5
127.03912	4.4
133.48824	0.5
137.05943	0.6
154.04955	1.7
166.04982	1.1
182.47261	0.5
184.16968	0.7
192.18648	0.6
193.12297	0.6
209.13872	0.5
227.57996	0.6
232.05936	3.0
250.07092	10.7
268.08136	55.7
269.08374	3.1
277.58597	0.6
295.27621	0.5
303.95508	0.6
344.13901	3.8
345.11429	0.5
351.71347	0.6
388.12271	10.0
388.16483	3.5
389.13971	1.2
389.18008	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
57.03424	5.4
63.98548	1.2
67.58447	1.4
69.03064	2.7
69.03425	46.9
69.85761	3.0
70.03785	1.4
71.04993	8.8
81.03413	29.8
83.01316	2.3
85.02900	57.8
85.03416	3.2
87.00821	31.6
87.04445	2.0
97.02885	72.4
98.03204	2.0
99.04446	24.2
99.05070	1.7
100.04803	1.6
105.01868	19.7
105.07022	9.1
109.02869	7.2
111.00775	1.6
115.03951	2.3
115.24181	1.3
117.23702	1.2
127.03905	100.0
128.04173	1.5
137.05960	2.6
138.06378	1.5
142.30650	1.4
145.04945	62.4
146.05272	2.7
156.51280	1.4
167.05836	1.7
171.02837	3.7
171.79314	1.3
179.47568	1.5
187.97749	1.4
213.03883	3.3
223.20729	1.4
231.04988	51.8
232.05396	2.6
236.52800	1.3
249.06070	16.5
256.00903	1.4
306.87344	1.4
388.14273	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
53.46551	0.8
55.01874	6.6
57.03429	5.6
61.02922	4.9
68.99769	2.6
69.03422	34.1
69.03799	1.8
70.79050	1.3
70.79385	1.2
71.04995	4.4
73.02911	6.4
79.05477	2.0
81.03411	23.9
85.02894	100.0
86.03214	2.0
87.00818	37.0
91.03933	2.2
97.02881	29.5
98.22846	1.2
99.04448	15.2
105.01855	58.0
105.07022	15.5
108.04452	3.0
109.02863	24.9
115.03903	1.1
117.01839	2.6
125.80164	1.1
126.05493	1.5
126.91212	0.9
127.03902	63.6
128.04265	1.4
129.01834	2.0
137.05954	2.1
145.04938	34.6
147.02852	3.6
153.73795	1.3
159.02875	14.8
177.03955	1.2
189.03903	3.7
213.03891	2.6
213.09128	1.0
224.54474	0.9
230.06506	1.2
231.04971	19.9
249.06096	4.6
388.15344	1.0
399.68716	0.9
409.55518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01869	1.3
57.03422	1.1
61.02908	1.3
68.99796	0.4
69.03421	3.9
71.05022	0.8
71.05460	0.6
73.02894	0.9
77.03909	0.5
79.05487	3.5
81.03408	3.8
85.02895	15.4
87.00816	6.6
91.05495	0.4
95.04952	1.5
97.02892	4.6
97.06524	0.7
99.04419	2.3
103.03944	0.7
103.05462	2.5
104.36205	0.5
105.01859	8.1
105.07018	100.0
106.07350	3.2
108.04482	1.0
109.02876	4.3
113.69710	0.4
115.03875	0.6
117.01832	0.7
119.08556	3.3
122.09663	0.9
127.03903	10.0
131.08569	0.9
133.10143	0.5
137.05956	0.6
138.06290	0.4
138.98322	0.3
143.03380	0.7
143.08546	1.0
145.04941	5.4
147.08044	2.6
159.02904	2.2
159.07997	1.1
169.06490	0.4
171.02901	0.7
171.08017	1.4
185.09647	1.3
189.03946	1.7
189.09137	0.7
195.08070	1.6
198.14954	0.6
201.09135	0.5
213.08963	2.4
219.10228	0.6
225.58459	0.4
226.14374	0.8
231.05003	2.5
231.10133	1.3
248.07735	0.8
335.11368	0.6
370.10501	0.5
403.46014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01857	1.7
57.03423	2.5
61.02913	1.6
69.03421	7.0
69.69576	1.9
69.69920	0.6
69.89248	0.6
71.04970	1.4
73.02882	0.5
79.05478	1.0
81.03415	3.1
85.02895	15.5
85.03405	0.8
87.00824	1.7
87.04472	0.6
87.50900	0.5
91.03964	0.5
91.05495	0.7
94.06554	1.5
95.04961	0.7
96.08107	1.7
97.02879	4.5
97.06577	1.3
99.04423	0.8
101.02434	0.5
103.05488	0.6
105.01849	2.3
105.07011	5.5
106.06514	0.9
107.07330	4.9
107.08553	1.3
108.08112	9.1
109.02895	2.5
110.09654	0.7
117.06993	0.7
119.08553	0.7
121.08890	0.7
121.10086	0.7
122.09650	78.3
123.10017	1.5
124.11229	4.9
127.03886	4.0
131.04921	0.6
132.08057	0.7
133.08890	0.6
134.09644	0.7
136.07574	0.6
136.11201	13.8
137.05951	2.1
138.06314	1.1
145.04916	1.8
145.10065	0.8
150.09122	21.0
151.09462	0.7
152.10686	1.4
162.12787	4.3
163.07509	0.6
164.10706	1.9
175.07565	0.8
180.13803	7.7
181.04987	0.7
190.12268	3.3
198.14868	35.3
199.15108	0.9
208.13309	0.8
213.10176	0.7
226.14345	100.0
227.14651	4.8
231.04922	0.7
240.15829	0.7
241.09727	1.7
245.07698	0.5
245.12747	0.6
255.11316	2.3
269.09106	0.7
274.10739	0.5
283.10818	2.9
289.10611	1.4
297.34402	0.6
301.11795	0.8
311.10162	1.0
329.11325	4.3
335.11224	0.6
342.19125	0.6
357.10526	2.9
360.20078	1.8
365.74771	0.5
388.14722	0.9
388.19400	0.6
389.13608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2114
Annotation	Isostemofoline
Peak:m/z	Relative Intensity
55.05511	0.4
55.27864	0.4
67.05492	1.2
68.05009	0.6
68.80270	0.4
69.03422	3.4
69.65709	0.5
69.66050	1.4
71.04976	0.6
79.05476	1.5
80.04999	0.8
81.03404	1.0
81.07035	0.9
82.06590	0.5
83.01328	1.1
83.07367	0.9
91.05450	2.3
93.07042	1.1
94.06590	0.6
95.04945	1.1
95.08601	0.6
96.08118	4.4
99.04460	1.0
101.49586	0.5
105.07021	1.3
106.06537	2.3
107.04939	0.5
107.08572	1.0
109.06512	1.1
117.07030	0.6
118.06517	0.9
119.03397	0.4
119.04867	0.4
119.07339	0.7
119.08522	0.5
120.08095	3.7
121.06473	0.6
122.09641	0.8
123.08037	0.4
124.11227	0.7
127.03891	1.5
128.10713	0.5
129.06931	0.5
130.06580	0.6
131.05000	0.5
131.08513	0.5
132.08083	0.6
133.05252	0.6
133.06493	0.6
133.08800	0.5
134.09656	1.0
135.08047	0.6
136.11230	2.3
137.05963	1.4
138.12746	9.2
144.08063	0.7
145.06511	0.7
146.05980	0.5
146.09624	0.9
147.06789	1.7
148.07552	4.5
149.08212	0.5
151.03859	1.1
152.10663	0.4
154.12221	0.8
155.03365	3.8
155.07051	1.2
158.09610	0.7
159.08040	0.9
160.11259	0.5
161.08356	1.2
162.09106	2.5
162.12762	7.8
164.10699	0.5
164.14359	1.3
165.05458	1.9
165.06778	0.4
167.07002	1.6
173.05933	0.6
174.12758	1.6
175.07530	0.9
176.14307	3.4
179.07060	0.4
181.05029	0.5
183.06511	1.9
186.12796	1.2
188.14371	0.8
190.12248	2.0
193.48192	0.4
203.09335	0.7
204.10132	1.3
204.13809	51.7
205.14207	3.1
206.15370	0.9
207.06432	0.6
207.10095	0.6
214.15918	0.7
218.11765	0.8
218.15398	1.0
219.10188	0.4
232.16960	1.4
233.08134	0.9
260.16409	10.5
262.17877	0.5
273.11136	1.1
275.12753	5.3
285.10986	0.5
370.20056	1.4
388.21124	100.0
389.21390	8.5
389.26102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2116
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
50.53711	0.3
55.01866	0.6
55.05528	0.3
57.07059	0.4
57.85873	0.3
64.93525	0.3
67.05496	0.8
69.03423	5.0
69.07059	0.4
69.39706	1.4
71.05000	0.4
79.05499	1.9
80.05018	0.3
81.07057	0.8
82.06573	0.4
83.01327	0.7
83.07365	0.9
91.05447	2.0
93.07035	1.2
95.04965	0.8
96.08120	4.3
98.09711	0.4
98.23466	0.6
99.04461	0.7
100.11225	0.4
105.04526	0.4
105.07027	1.2
106.06564	0.7
107.04918	0.5
107.08586	1.2
109.06529	0.4
111.08029	0.4
117.06995	0.7
119.08592	0.5
120.08100	1.7
121.06500	0.8
122.09688	0.3
124.11230	0.4
127.03883	0.9
128.10632	0.6
129.06982	0.8
131.08540	0.8
133.06503	0.5
134.09633	0.8
135.07997	0.3
136.11224	1.2
137.05957	1.3
137.09604	0.3
138.06326	0.4
138.12764	9.0
141.05408	0.4
141.07021	0.4
143.08525	0.5
145.06482	0.5
145.10144	0.5
147.06848	0.5
147.08026	0.6
148.07564	1.4
151.03970	0.4
153.05493	0.3
155.03357	1.6
155.07002	0.6
155.08604	0.4
159.08009	0.8
159.11630	0.4
162.09175	0.9
162.12793	1.8
164.10706	0.9
165.05466	1.4
167.07001	0.6
169.10129	0.5
173.05939	0.4
173.09674	0.5
174.12772	0.5
175.07552	1.0
176.14330	2.7
177.09116	0.3
178.15930	0.3
183.06511	1.3
186.12897	0.3
187.11160	0.6
188.14276	0.5
189.09114	0.6
190.12247	0.4
195.06516	0.7
197.09538	0.8
201.09172	0.6
204.13811	12.3
205.08620	0.7
205.14464	1.1
206.15388	0.9
221.08076	0.7
232.16803	0.7
233.07870	0.4
234.18573	0.6
247.09639	0.7
253.08499	0.4
260.16434	2.3
261.11194	0.5
263.09088	1.0
264.01172	0.3
273.11243	2.5
275.12753	6.4
276.13049	0.4
285.11194	0.6
341.17505	0.8
360.21674	1.1
370.20187	0.6
388.21140	100.0
389.21451	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	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36484	1.0
57.04159	1.0
57.07055	1.3
58.28219	1.1
67.05495	3.8
69.03415	3.0
69.07056	3.6
69.66767	4.4
75.64612	1.1
79.05477	4.5
81.07040	3.7
85.02892	1.2
91.05471	7.8
93.07007	5.9
95.04954	1.6
95.08631	1.9
98.22742	1.9
105.07025	16.8
107.08584	12.3
109.10122	2.1
115.05408	2.1
117.07029	5.6
119.08564	12.0
121.10123	12.7
123.08053	2.5
129.06999	5.5
130.07722	2.0
131.08566	17.5
133.10110	6.2
135.08063	3.0
137.05971	7.9
138.06297	5.3
143.08548	9.9
144.09328	3.0
145.10120	15.7
146.10402	1.2
147.11684	9.3
149.09615	1.4
149.13226	9.1
150.33574	1.1
158.10896	9.7
171.11676	1.2
173.13263	19.5
175.14807	9.7
181.40015	1.0
191.14294	100.0
192.14613	4.7
243.31879	1.1
298.15924	1.0
358.13159	1.6
388.14420	2.9
389.23074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36870	0.7
69.48260	1.6
69.48672	2.2
73.06535	1.3
81.07010	0.9
82.39373	0.9
86.09691	1.5
87.04471	4.4
89.06020	100.0
90.06363	0.9
91.07603	0.8
101.97485	0.7
107.07059	1.6
123.23939	0.7
124.70630	0.8
131.07013	1.7
133.08588	62.4
134.08870	0.7
175.09628	0.8
177.11195	21.3
221.13858	2.8
225.10962	1.2
226.11301	1.7
239.14952	1.1
283.17480	2.9
319.56497	0.6
327.20169	2.7
371.22726	20.6
372.22919	1.3
388.16559	14.6
389.17047	1.9
403.90073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
51.08467	1.0
53.03954	1.7
55.01865	38.1
65.03931	10.5
67.05495	6.4
70.56425	1.1
72.85301	1.1
74.53916	1.1
79.05501	5.5
82.04189	2.3
85.02901	6.0
91.05459	5.8
93.03407	3.6
93.07058	1.8
94.04202	2.4
95.04965	10.3
97.06527	2.1
103.05461	16.6
105.04452	1.3
105.07027	2.0
107.04928	9.1
108.02128	2.8
110.03657	4.0
111.04416	2.3
111.22474	1.2
115.05414	2.1
117.06995	4.6
119.04948	1.9
121.06551	5.3
122.03626	4.0
123.04402	7.2
123.08025	1.2
125.05985	4.6
128.06230	2.2
129.06966	7.6
131.04922	18.2
133.06485	1.5
135.08029	4.0
137.05957	35.4
138.03123	3.1
140.04660	1.4
144.58020	1.1
145.06471	3.6
147.04379	3.0
149.05966	11.2
151.03865	1.8
151.07544	9.6
153.05449	6.7
155.07045	1.8
157.06468	7.0
159.04367	1.3
160.05161	2.2
161.05951	4.0
163.03894	1.8
163.07553	9.3
165.05447	1.1
167.07016	22.4
167.08316	2.0
171.06537	8.0
173.05922	1.3
174.06773	5.0
175.07529	36.0
176.07951	2.2
177.05444	36.6
177.09073	2.1
178.05853	1.8
179.07016	1.6
181.04929	100.0
182.05376	2.9
183.06483	7.0
187.07544	3.8
189.09059	13.2
191.06998	3.2
195.10152	7.2
197.35571	1.3
199.07533	1.7
201.09048	3.8
205.08594	3.1
207.06546	1.7
209.08055	53.8
210.08524	2.0
217.06656	1.6
217.08522	5.3
218.07278	2.5
219.08081	1.8
219.10077	11.9
221.08020	1.6
231.08142	1.3
234.06706	1.9
235.09627	3.1
236.08119	1.4
247.07472	1.8
248.08223	2.0
249.09074	5.2
261.09116	4.4
267.20868	1.5
277.08627	8.2
278.09290	2.4
279.10172	1.8
281.07877	1.2
281.11511	1.8
283.09714	1.2
293.11777	2.8
301.07526	1.5
309.11206	3.9
321.11255	2.8
329.13855	3.3
337.38293	1.2
339.12234	10.3
340.12485	1.6
341.13763	4.2
353.13791	2.7
357.13446	2.0
359.14978	2.0
368.93893	1.2
371.14981	9.7
389.15909	42.0
389.20926	2.2
390.16202	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	389.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.9
55.01869	33.5
64.97647	1.0
65.03947	8.6
67.05485	4.2
69.03419	1.0
69.15984	1.0
71.14832	0.9
79.05482	3.9
81.07066	1.3
82.04185	3.6
85.02898	4.7
86.12938	0.9
91.05495	2.4
93.03398	2.2
95.04970	5.5
97.06504	2.9
100.63364	0.8
103.05460	14.3
105.04487	1.5
105.07010	1.8
107.04948	7.7
108.02094	1.9
110.03663	3.7
111.04444	2.5
115.05442	2.1
117.07019	1.6
119.04903	1.0
121.06483	4.1
122.03639	3.5
123.00827	1.2
123.04423	4.5
124.05221	1.5
125.05965	2.3
128.06169	1.9
129.06981	9.0
131.04909	17.8
135.04271	1.7
135.08049	2.9
137.05966	33.0
138.03123	2.8
140.04651	1.4
142.02600	1.4
145.06482	4.0
147.04408	1.3
149.05977	9.6
151.03906	1.4
151.07553	1.1
153.05481	7.5
155.07043	1.1
156.59071	0.9
157.06499	6.4
158.07243	1.2
159.04411	1.9
160.05142	2.3
161.05966	3.2
163.07542	11.6
165.05565	1.0
167.07019	22.3
171.06523	8.9
171.07961	1.2
173.05888	1.2
174.06776	3.4
175.07521	14.9
177.05450	35.8
177.09061	1.0
178.05783	1.6
179.08607	1.2
181.04939	100.0
182.05293	2.8
183.06520	2.5
187.07581	2.0
189.09102	10.6
191.06956	2.2
199.07581	1.2
205.06709	1.1
205.08604	2.9
209.08072	57.4
210.08423	2.1
217.06604	1.5
217.08524	7.0
218.07158	1.6
219.07964	2.8
219.10199	3.1
221.07967	1.2
234.06764	2.9
235.07547	1.6
235.09673	3.2
247.07594	1.1
248.08554	1.2
249.08981	4.8
250.09828	1.0
253.08408	1.2
261.09109	3.3
263.07040	1.1
266.09540	1.3
277.08554	8.3
278.09338	2.8
289.08350	1.2
291.10095	1.0
293.08374	1.1
293.11670	2.6
294.08780	1.3
295.09460	1.5
298.22870	1.1
307.09387	1.0
309.11221	2.7
311.12683	1.7
321.11133	2.7
329.13818	1.8
339.12250	12.4
340.12991	1.7
341.13858	3.6
353.13861	2.1
357.13452	1.4
359.14917	2.2
371.14868	12.1
372.14914	1.3
389.15894	46.4
390.16193	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03908	0.9
55.01869	33.5
64.97647	1.0
65.03947	8.6
67.05485	4.2
69.03419	1.0
69.15984	1.0
71.14832	0.9
79.05482	3.9
81.07066	1.3
82.04185	3.6
85.02898	4.7
86.12938	0.9
91.05495	2.4
93.03398	2.2
95.04970	5.5
97.06504	2.9
100.63364	0.8
103.05460	14.3
105.04487	1.5
105.07010	1.8
107.04948	7.7
108.02094	1.9
110.03663	3.7
111.04444	2.5
115.05442	2.1
117.07019	1.6
119.04903	1.0
121.06483	4.1
122.03639	3.5
123.00827	1.2
123.04423	4.5
124.05221	1.5
125.05965	2.3
128.06169	1.9
129.06981	9.0
131.04909	17.8
135.04271	1.7
135.08049	2.9
137.05966	33.0
138.03123	2.8
140.04651	1.4
142.02600	1.4
145.06482	4.0
147.04408	1.3
149.05977	9.6
151.03906	1.4
151.07553	1.1
153.05481	7.5
155.07043	1.1
156.59071	0.9
157.06499	6.4
158.07243	1.2
159.04411	1.9
160.05142	2.3
161.05966	3.2
163.07542	11.6
165.05565	1.0
167.07019	22.3
171.06523	8.9
171.07961	1.2
173.05888	1.2
174.06776	3.4
175.07521	14.9
177.05450	35.8
177.09061	1.0
178.05783	1.6
179.08607	1.2
181.04939	100.0
182.05293	2.8
183.06520	2.5
187.07581	2.0
189.09102	10.6
191.06956	2.2
199.07581	1.2
205.06709	1.1
205.08604	2.9
209.08072	57.4
210.08423	2.1
217.06604	1.5
217.08524	7.0
218.07158	1.6
219.07964	2.8
219.10199	3.1
221.07967	1.2
234.06764	2.9
235.07547	1.6
235.09673	3.2
247.07594	1.1
248.08554	1.2
249.08981	4.8
250.09828	1.0
253.08408	1.2
261.09109	3.3
263.07040	1.1
266.09540	1.3
277.08554	8.3
278.09338	2.8
289.08350	1.2
291.10095	1.0
293.08374	1.1
293.11670	2.6
294.08780	1.3
295.09460	1.5
298.22870	1.1
307.09387	1.0
309.11221	2.7
311.12683	1.7
321.11133	2.7
329.13818	1.8
339.12250	12.4
340.12991	1.7
341.13858	3.6
353.13861	2.1
357.13452	1.4
359.14917	2.2
371.14868	12.1
372.14914	1.3
389.15894	46.4
390.16193	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08467	1.0
53.03954	1.7
55.01865	38.1
65.03931	10.5
67.05495	6.4
70.56425	1.1
72.85301	1.1
74.53916	1.1
79.05501	5.5
82.04189	2.3
85.02901	6.0
91.05459	5.8
93.03407	3.6
93.07058	1.8
94.04202	2.4
95.04965	10.3
97.06527	2.1
103.05461	16.6
105.04452	1.3
105.07027	2.0
107.04928	9.1
108.02128	2.8
110.03657	4.0
111.04416	2.3
111.22474	1.2
115.05414	2.1
117.06995	4.6
119.04948	1.9
121.06551	5.3
122.03626	4.0
123.04402	7.2
123.08025	1.2
125.05985	4.6
128.06230	2.2
129.06966	7.6
131.04922	18.2
133.06485	1.5
135.08029	4.0
137.05957	35.4
138.03123	3.1
140.04660	1.4
144.58020	1.1
145.06471	3.6
147.04379	3.0
149.05966	11.2
151.03865	1.8
151.07544	9.6
153.05449	6.7
155.07045	1.8
157.06468	7.0
159.04367	1.3
160.05161	2.2
161.05951	4.0
163.03894	1.8
163.07553	9.3
165.05447	1.1
167.07016	22.4
167.08316	2.0
171.06537	8.0
173.05922	1.3
174.06773	5.0
175.07529	36.0
176.07951	2.2
177.05444	36.6
177.09073	2.1
178.05853	1.8
179.07016	1.6
181.04929	100.0
182.05376	2.9
183.06483	7.0
187.07544	3.8
189.09059	13.2
191.06998	3.2
195.10152	7.2
197.35571	1.3
199.07533	1.7
201.09048	3.8
205.08594	3.1
207.06546	1.7
209.08055	53.8
210.08524	2.0
217.06656	1.6
217.08522	5.3
218.07278	2.5
219.08081	1.8
219.10077	11.9
221.08020	1.6
231.08142	1.3
234.06706	1.9
235.09627	3.1
236.08119	1.4
247.07472	1.8
248.08223	2.0
249.09074	5.2
261.09116	4.4
267.20868	1.5
277.08627	8.2
278.09290	2.4
279.10172	1.8
281.07877	1.2
281.11511	1.8
283.09714	1.2
293.11777	2.8
301.07526	1.5
309.11206	3.9
321.11255	2.8
329.13855	3.3
337.38293	1.2
339.12234	10.3
340.12485	1.6
341.13763	4.2
353.13791	2.7
357.13446	2.0
359.14978	2.0
368.93893	1.2
371.14981	9.7
389.15909	42.0
389.20926	2.2
390.16202	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	389.178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.3
67.05517	0.4
69.03415	0.3
79.05495	0.8
81.07043	0.5
85.02910	1.0
91.05482	5.1
93.07037	0.3
95.05035	0.3
96.08137	0.5
98.22686	1.3
107.05030	0.4
107.08615	0.5
116.63760	0.3
119.08559	0.3
121.10185	0.5
124.03967	0.4
124.07569	3.8
124.08291	0.4
131.08676	0.3
175.14923	0.3
176.15269	0.4
191.14252	0.6
192.14717	0.8
193.57158	0.3
198.54796	0.3
203.05263	1.8
209.11516	3.4
218.90927	0.3
227.12532	3.7
345.15201	1.7
389.17856	100.0
390.13989	0.4
390.18265	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80717	0.3
63.28302	0.3
65.60702	0.3
69.33453	1.2
70.06547	0.4
77.29066	0.3
79.05470	0.4
81.07049	0.3
84.91243	0.3
86.09674	0.5
91.05461	0.6
96.08176	0.3
98.23299	0.8
114.05452	0.3
116.01705	0.3
124.07532	0.4
129.33334	0.3
147.60278	0.3
148.92780	0.3
153.01869	0.3
154.20016	0.3
175.03891	0.4
203.05287	1.0
209.11441	3.2
227.12532	3.6
372.77402	0.3
389.12326	6.6
389.17725	100.0
390.12616	0.5
390.18002	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
57.03425	14.3
67.05490	23.5
69.03428	30.4
71.43004	14.2
79.05476	22.2
81.03415	19.5
81.07029	45.2
81.59483	13.7
85.02899	49.3
91.05473	28.0
93.06995	27.8
95.04951	56.2
95.08590	22.2
97.02892	29.0
97.06528	37.7
99.04462	31.4
99.88746	12.4
105.07026	43.2
107.08562	55.8
109.06494	70.7
111.08060	14.8
119.08569	26.7
121.10130	50.0
123.08050	15.2
127.03899	26.4
128.04204	19.6
133.10132	61.3
135.08032	14.2
135.11676	18.2
137.05957	20.5
145.04976	18.8
145.10126	21.3
147.11674	29.8
147.97353	13.9
153.09132	26.0
163.11198	19.4
173.13336	24.4
191.14296	71.2
192.14542	19.5
209.15309	100.0
227.12723	16.5
227.16354	86.2
232.05080	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	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27581	8.1
55.01871	12.6
57.03412	6.5
57.77107	6.1
57.88757	6.1
59.08226	6.2
59.29365	7.2
60.38174	5.9
64.54540	6.5
69.03429	17.3
69.07055	12.0
70.84886	7.9
71.04978	6.4
73.02905	7.1
79.05484	29.2
81.03407	9.5
81.07055	13.1
81.74361	6.0
83.05012	6.6
85.02922	35.6
85.06558	8.1
91.05467	15.6
93.07043	12.5
95.04955	32.9
97.06516	13.5
99.08107	9.8
105.07019	11.6
107.04943	100.0
107.08585	15.1
109.06519	30.3
119.08553	8.0
121.06483	8.4
121.10138	9.3
127.03874	15.4
129.05464	8.4
131.08566	9.5
133.06487	24.9
133.10104	27.9
135.08038	15.7
135.11659	6.2
137.05981	19.6
138.05444	6.9
145.04938	8.4
147.11647	13.0
153.09128	11.2
161.05969	16.2
171.10080	9.9
173.13263	13.3
191.14255	20.6
193.08601	16.1
209.15347	40.9
211.09570	8.1
227.16444	18.9
357.13522	8.3
367.65170	6.9
389.14838	21.7
389.17477	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32845	7.3
54.06491	8.4
55.05503	12.6
67.05500	13.4
69.03422	16.6
69.11208	14.8
69.11607	39.1
79.05450	16.4
81.03394	15.5
81.07046	18.6
83.04934	8.9
84.04481	29.8
85.02897	20.4
91.05466	10.8
93.07062	9.9
94.20884	7.7
95.04951	13.4
95.08601	19.1
98.23410	21.0
99.04456	9.9
99.08096	12.2
101.58296	7.9
105.06997	14.4
107.08588	28.6
109.10136	21.7
119.08587	10.3
121.06494	18.4
121.10141	21.0
123.08060	11.8
127.03859	13.1
130.04999	22.6
131.40833	8.1
133.10133	20.4
133.26950	8.5
135.07996	10.4
137.05989	8.3
137.09616	12.0
147.07642	9.2
149.09615	40.1
149.13220	12.8
151.11159	9.5
153.01822	22.4
163.14751	14.5
167.07123	10.4
173.13167	17.2
191.14291	39.0
209.13652	9.9
209.15298	49.1
233.86125	8.3
237.10060	10.0
265.09610	13.3
267.11090	11.7
293.09152	32.7
303.14020	10.8
321.08530	13.0
333.74066	9.5
339.09821	23.2
345.15100	18.3
347.97061	8.3
389.13419	100.0
389.18332	79.5
390.14380	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	389.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
55.92152	0.7
67.05503	1.0
69.03424	0.8
69.07070	0.9
71.04922	0.7
76.05500	0.8
79.05506	1.8
81.03404	1.1
81.05798	0.7
81.07037	2.2
83.04963	1.0
85.02883	2.2
85.06532	0.8
88.03518	0.7
91.05456	5.5
93.07041	2.4
95.04963	6.0
95.08607	1.1
96.08125	1.9
97.06509	3.9
98.73035	0.7
99.04475	1.4
105.07034	1.9
107.08566	3.0
109.02891	0.9
109.06497	2.7
109.10168	0.7
115.07571	2.4
121.10107	5.7
124.07574	11.1
125.09624	1.5
133.10106	4.0
135.08044	1.2
147.11653	2.0
149.93065	0.6
151.11174	0.7
153.09074	2.2
163.14819	1.6
167.07031	0.9
173.13261	1.3
176.85884	0.7
191.14294	2.6
209.11557	1.9
209.15388	5.0
227.05299	1.7
227.12541	3.3
227.16382	3.0
303.14111	3.3
345.15143	11.8
346.15433	1.4
389.13956	21.0
389.17749	100.0
390.14249	1.8
390.18536	6.7
410.36844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39467	12.9
54.02530	14.7
69.03442	18.9
69.37470	65.3
70.06567	14.5
79.05512	16.0
81.07048	29.2
84.04470	16.9
91.05434	12.7
93.07044	32.2
95.08580	20.1
97.06528	15.4
98.22685	26.8
105.03390	42.8
105.06970	15.5
105.78249	13.8
105.79012	13.9
121.10118	52.5
123.11706	73.7
137.05957	21.8
149.09583	20.6
151.11220	21.7
167.10643	100.0
179.07022	23.4
227.16405	44.9
228.06294	32.0
389.13342	25.5
389.17581	51.9
390.11353	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36843	0.4
56.96566	0.8
58.81313	0.4
60.34795	0.5
70.06586	0.6
71.43063	0.5
78.66567	0.5
79.14439	0.5
88.07620	0.6
105.63210	0.5
127.08319	0.5
132.10208	1.0
142.38153	0.5
148.02821	0.5
213.08220	0.4
255.09105	0.5
267.08823	0.5
269.10614	1.0
285.10153	0.6
302.30612	0.6
363.14484	0.6
389.22934	100.0
390.23325	8.1
390.35602	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76055	0.4
69.35312	1.0
69.35699	0.9
78.80624	0.4
85.29450	0.4
98.34370	0.4
163.43930	0.4
191.92520	0.5
243.02321	0.4
326.18353	0.4
371.03134	0.4
389.22949	100.0
390.23355	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	0.5
74.40803	0.4
76.03876	0.4
77.15542	0.5
78.27957	0.3
87.80750	0.5
113.56524	0.4
132.10262	0.5
223.34303	0.5
258.01654	0.5
280.58453	0.5
294.00677	0.6
328.32184	1.1
389.22946	100.0
390.23309	8.5
390.35779	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	390.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01868	0.6
57.03426	1.1
60.04522	0.6
61.02913	0.6
67.05502	1.2
67.31841	0.5
68.99788	0.9
69.03087	0.7
69.03417	4.8
69.07057	2.7
70.06565	1.0
71.04980	0.8
71.42653	0.5
73.02898	1.0
77.03915	0.9
79.05486	7.4
81.03419	4.6
81.05810	0.5
81.07045	1.0
85.02898	11.7
85.06541	3.8
86.02418	0.5
87.00825	4.5
91.05466	0.7
94.06555	0.6
95.04964	4.2
95.08590	0.9
95.41432	0.5
96.08126	1.6
97.02885	4.5
97.06518	1.4
99.04445	1.2
102.16413	0.5
103.03931	0.7
105.01868	4.2
105.04504	1.8
105.06992	0.7
107.04943	100.0
108.04539	0.7
108.05278	2.7
109.02863	4.5
109.10173	0.7
112.07606	0.7
119.04872	0.7
119.08591	0.6
121.06506	1.6
121.10159	0.5
124.07584	9.1
125.02283	0.8
125.05996	0.8
127.03917	7.1
133.02846	0.5
133.10136	1.0
137.05994	1.2
137.09596	0.6
138.05473	0.9
142.08633	1.3
143.03293	0.7
145.04926	3.2
147.04379	1.0
149.02286	1.1
149.05954	0.9
153.05598	0.7
159.02887	1.5
161.05971	0.6
173.05942	0.5
175.14784	1.2
182.08249	0.6
184.09677	2.9
187.07472	0.6
189.03955	1.9
191.07077	0.8
193.15770	0.6
197.05949	0.9
208.09697	0.9
213.03888	0.7
215.06989	1.4
224.33434	0.5
229.03339	0.5
230.06552	0.5
231.05032	1.6
236.16470	1.5
249.06076	1.2
250.10677	1.8
255.21989	0.5
284.09723	1.4
380.71829	0.5
390.18045	2.1
391.10043	1.5
391.19376	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	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80760	4.4
67.05495	5.9
69.03423	6.5
70.06605	8.1
81.03436	10.3
84.04515	4.8
85.02913	12.8
86.16149	4.9
91.05480	6.4
95.04971	9.7
98.22878	35.4
103.05466	11.4
104.43089	5.5
105.07033	67.4
115.05431	11.1
119.04980	5.3
121.06510	7.2
131.04973	5.8
131.31348	5.6
133.06502	59.8
137.05959	12.6
139.03885	100.0
143.06006	8.4
149.02351	14.0
160.23398	5.3
161.05972	98.7
161.07292	5.4
163.04013	7.2
177.05371	6.0
179.06940	5.6
193.08574	56.5
205.04968	22.4
211.09718	19.3
219.02975	8.3
221.04433	10.8
223.01593	5.4
223.05995	7.4
233.34541	5.1
240.66269	5.5
299.09192	11.2
306.22818	5.8
355.08234	16.6
390.11789	56.9
390.18057	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
61.03809	2.0
65.03991	1.8
69.03420	2.1
69.50897	8.6
79.05479	5.7
85.02890	4.4
91.05469	2.4
95.04966	4.6
97.02930	2.1
103.05448	6.4
105.07018	57.2
107.04938	11.7
115.05449	9.7
118.04152	5.8
133.06476	53.9
134.06805	2.6
137.05948	3.5
140.16985	1.9
143.06027	6.3
145.87596	2.1
149.02364	3.5
149.05902	2.2
161.05969	100.0
162.06325	3.3
193.08580	65.9
194.08966	2.7
204.39317	2.2
232.14526	2.3
245.60211	1.9
259.01111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
61.03809	2.0
65.03991	1.8
69.03420	2.1
69.50897	8.6
79.05479	5.7
85.02890	4.4
91.05469	2.4
95.04966	4.6
97.02930	2.1
103.05448	6.4
105.07018	57.2
107.04938	11.7
115.05449	9.7
118.04152	5.8
133.06476	53.9
134.06805	2.6
137.05948	3.5
140.16985	1.9
143.06027	6.3
145.87596	2.1
149.02364	3.5
149.05902	2.2
161.05969	100.0
162.06325	3.3
193.08580	65.9
194.08966	2.7
204.39317	2.2
232.14526	2.3
245.60211	1.9
259.01111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75303	2.2
61.74731	1.8
69.03416	2.2
71.08628	38.9
72.11076	2.0
84.04500	7.5
86.09704	12.1
88.11263	100.0
89.11575	1.9
94.71790	1.9
98.97540	3.4
102.05545	2.6
102.86929	2.1
103.73287	2.0
103.95026	2.1
104.25214	1.8
129.14256	2.1
136.71513	2.0
147.39198	2.1
148.06071	3.7
149.02364	7.0
163.07352	2.3
175.25229	2.3
225.12228	2.5
228.08740	4.2
236.15910	2.3
409.91354	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	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05499	0.9
61.19880	0.8
69.03423	100.0
69.47366	1.8
69.47756	1.9
71.04988	1.7
79.05492	0.9
81.03397	1.7
81.07041	1.7
84.49316	0.7
85.02902	5.5
91.05481	1.5
93.07040	0.8
95.04945	1.3
95.08585	1.4
97.02894	1.8
98.22749	1.3
99.04427	0.9
100.11253	1.0
105.06998	1.6
107.08575	2.8
109.02840	1.8
110.65981	0.7
111.08054	2.6
119.08546	1.3
121.10142	1.9
123.11703	1.2
123.81458	1.1
125.09612	3.0
127.03903	2.7
133.10094	1.5
143.10648	1.8
147.11676	1.8
149.02341	0.9
175.14796	0.9
181.04837	0.8
182.15364	1.1
183.13763	0.9
193.15863	67.5
194.16220	2.6
211.16919	16.9
212.17342	1.2
227.11917	0.7
229.14372	0.8
240.21277	0.8
296.90448	0.8
390.27344	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	391.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59897	0.2
55.01861	0.4
55.05500	0.3
56.96551	0.3
57.36640	0.2
58.88625	0.3
60.37463	0.2
60.55259	0.3
65.03897	0.3
67.05499	2.9
69.03426	0.4
69.07033	0.4
71.08605	0.2
71.43280	0.3
74.54267	0.2
79.05478	0.5
81.03391	0.5
81.07030	1.1
82.01376	0.2
85.02889	0.6
91.05450	0.7
93.07027	0.9
95.04955	0.5
95.08572	0.7
97.02881	0.6
97.06529	0.5
105.01842	0.3
105.07018	0.9
107.08602	0.7
109.02859	0.6
109.10130	1.6
110.09643	0.4
119.08570	0.6
120.08059	0.3
121.06472	0.5
121.10141	0.3
123.08050	0.3
125.09610	0.9
127.03925	0.7
131.08531	0.5
132.08046	0.3
133.10120	0.6
143.08559	0.3
144.08043	0.6
145.10136	0.5
146.05949	0.3
147.06718	0.4
149.02350	1.5
152.07051	0.7
157.10081	0.3
158.06036	0.5
159.09138	0.4
160.07556	0.9
161.08321	0.3
162.09146	1.2
166.08623	5.9
171.09163	0.4
173.07085	0.4
173.13367	0.3
174.09068	0.5
179.00175	0.6
180.10210	0.6
183.09174	0.4
183.11754	0.4
184.07602	0.5
186.09221	0.3
187.06171	0.3
187.08685	1.9
188.07019	0.5
190.08583	0.9
192.06567	0.8
193.10106	0.4
194.08124	0.7
196.09879	0.3
197.01213	1.3
197.10690	0.4
199.08617	1.3
200.09271	0.6
201.10170	1.4
202.08665	0.5
204.10196	0.7
206.08209	0.3
208.09705	0.9
210.09183	0.3
211.06805	0.3
211.08549	1.7
212.07011	0.6
212.09187	0.3
213.06525	0.5
213.10225	1.0
214.07193	1.6
215.08127	4.9
215.11717	0.4
216.06668	0.3
216.08650	0.3
217.13298	0.4
218.08118	1.1
220.09709	0.3
221.06932	0.3
222.11417	0.3
224.09369	0.4
225.06601	0.9
225.10211	0.9
226.08685	0.5
226.10658	0.4
227.07991	2.3
227.11508	0.3
228.08789	2.2
229.09708	4.8
230.08127	1.0
230.10201	0.3
232.09724	0.4
234.07616	0.6
235.08487	0.3
238.07254	0.6
239.08078	3.0
240.06615	0.4
240.08717	0.5
241.06114	0.7
241.09702	1.2
242.10469	0.7
243.07584	4.3
243.11243	1.8
245.09123	0.6
247.10756	2.5
248.09158	1.7
249.09802	0.3
250.10814	1.9
251.08153	0.4
252.08815	0.4
253.09727	2.3
254.10449	0.4
255.07478	2.5
255.11348	0.5
256.08444	2.2
257.09180	10.1
258.07507	1.3
258.09970	1.9
259.07162	0.8
261.12399	1.0
263.08072	0.4
267.07611	3.1
267.10712	0.4
268.09399	0.3
269.09210	1.1
270.09760	1.3
271.07196	1.3
271.10757	4.1
272.11420	0.9
273.08829	0.7
273.12369	0.8
274.09549	0.6
275.10318	1.2
276.05615	0.6
276.08640	12.5
277.09000	0.7
280.08594	0.3
281.09219	1.2
282.09842	0.5
283.07120	1.5
284.07779	1.1
285.08673	2.8
285.12335	3.0
286.09247	0.7
287.10281	0.5
287.13943	0.4
288.12061	0.4
289.11768	6.1
290.12173	0.3
296.09167	0.4
297.12271	0.8
298.09525	1.1
299.10217	9.6
300.10760	0.8
301.08163	1.8
302.08737	0.6
303.13367	1.2
309.08636	0.6
313.11771	6.0
314.12259	0.4
315.09943	0.5
315.13321	2.0
316.11075	0.4
317.11212	5.1
319.08392	0.3
326.08676	0.4
327.09659	0.7
329.07706	0.4
331.12839	15.0
332.13235	1.2
341.11234	4.5
342.11624	0.3
344.09845	0.4
359.12314	100.0
360.12662	7.3
373.24936	0.5
377.13376	5.3
378.13583	0.3
391.14923	3.6
391.21100	0.4
391.25937	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1572
Annotation	Chidamide
Peak:m/z	Relative Intensity
52.17793	0.3
57.07067	0.6
61.32201	0.3
69.70210	0.3
69.71313	0.8
71.08596	0.4
78.23634	0.3
85.02896	0.5
98.23357	0.8
98.90723	0.4
120.08091	0.5
137.05956	0.6
149.02344	5.1
159.09146	0.4
159.83870	0.3
165.09074	0.6
166.09496	0.8
167.03358	0.5
167.07010	1.7
213.07581	1.4
245.31331	0.3
322.76193	0.4
356.41647	0.4
362.79221	0.4
391.15689	100.0
392.16013	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	391.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44270	2.8
55.01863	3.9
55.05483	3.1
65.03941	3.7
67.05501	5.0
70.74109	4.8
70.74435	4.4
72.87053	2.8
79.05484	7.3
81.07024	3.3
85.06545	3.1
88.98213	3.2
89.34906	3.4
91.05463	18.5
92.42229	2.7
93.07025	4.9
95.04961	5.0
95.25645	3.2
97.06552	3.4
98.23225	5.6
103.05469	4.7
105.07031	15.6
107.04945	9.3
107.08624	3.1
118.04163	3.5
119.04914	7.7
119.08546	4.9
121.06511	9.5
121.10138	2.8
123.04412	4.3
129.07007	7.6
131.04927	5.1
131.08542	8.5
132.47368	3.1
133.06491	8.1
135.08011	4.0
137.05957	14.3
141.58466	3.9
145.06552	3.4
147.04399	12.4
148.05174	3.3
149.02324	29.3
149.05956	7.5
150.06665	5.4
151.03909	8.9
151.07533	6.6
153.01889	4.0
157.06465	4.5
161.05963	100.0
161.09573	27.5
164.34549	3.5
167.07045	20.1
167.08290	3.7
174.06728	4.0
175.07547	6.2
181.08606	14.8
189.09084	64.4
191.07011	3.9
193.08624	13.3
197.13118	3.3
207.10135	65.3
211.09671	16.9
220.05943	3.4
285.11310	3.3
295.10706	4.0
300.68015	3.5
313.11728	11.1
359.12213	5.3
373.13910	6.9
391.26453	17.6
392.16943	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41040	0.5
57.07063	2.6
58.06579	0.6
62.59346	0.6
70.06587	9.1
71.06916	1.6
71.08600	1.2
72.08135	1.0
79.10313	0.6
84.08118	1.5
86.09708	1.8
88.07623	2.9
89.06003	0.7
102.09162	1.2
123.97784	0.6
132.10178	4.0
146.11734	3.8
148.98093	0.6
149.02338	1.4
240.26909	0.9
241.27312	0.6
284.29477	2.4
285.29782	1.8
303.90872	0.6
321.16739	1.4
328.32047	10.3
329.32321	8.5
390.35739	19.8
391.24515	100.0
391.35876	22.1
392.24835	6.4
392.36441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30204	0.4
57.07064	0.6
69.87244	0.9
70.06581	1.9
98.23380	0.5
102.09203	0.4
113.74939	0.4
113.96305	0.4
132.10181	1.0
146.11765	1.0
149.02367	1.2
154.26462	0.4
165.31610	0.4
208.60255	0.4
214.20435	0.4
221.12787	0.4
237.23108	0.4
284.29398	1.1
321.16776	1.3
328.32132	2.8
329.32312	2.3
373.22327	0.5
390.35754	5.4
391.24490	100.0
392.24811	6.9
400.36169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	2.8
59.22442	1.1
70.06578	5.1
71.08591	1.8
80.81738	1.1
80.94851	1.3
88.07616	2.1
132.10245	1.2
147.43373	1.1
149.02351	4.5
202.48849	1.2
207.97780	1.2
284.29401	1.4
285.29761	1.9
328.32080	3.5
329.32492	4.0
351.18555	1.3
369.19321	2.5
390.35837	12.8
391.24524	100.0
391.35754	12.1
392.25006	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	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34762	2.0
55.05482	6.9
57.07053	4.0
57.09328	2.3
67.05482	4.4
69.03385	2.0
69.07037	3.2
70.06564	5.2
71.43159	2.2
79.05454	7.0
81.07014	10.2
86.25207	2.2
91.05449	11.1
93.07028	14.3
93.07499	2.8
95.04955	12.5
95.08558	6.4
105.06470	2.2
105.07008	26.0
107.08522	8.3
109.06489	4.7
117.06945	4.9
119.08559	19.0
121.10079	8.9
123.07989	3.2
125.52866	2.3
128.06187	4.9
129.06963	4.4
130.07719	3.0
131.08530	5.6
133.10094	4.5
141.06860	2.7
142.07719	8.9
143.08478	9.9
145.10100	17.9
147.07968	5.3
147.11650	3.7
149.02252	10.6
155.08530	3.9
156.09254	4.4
157.10089	11.8
159.07983	3.4
159.11591	6.8
167.08476	2.9
169.10019	9.4
171.11575	7.9
173.09523	3.2
173.13164	2.9
179.08447	4.8
180.09247	3.4
181.10028	6.7
182.10780	2.7
183.11597	7.2
185.13112	3.6
193.10062	5.4
194.10750	3.9
195.11545	5.4
197.13135	3.1
197.33856	2.2
199.11092	4.8
207.11526	8.1
208.12248	3.2
209.13121	9.2
221.13176	5.2
223.14732	3.6
233.13188	5.0
233.15338	3.6
243.11607	3.8
245.13158	3.8
249.16339	4.8
259.14600	2.8
262.12576	2.3
267.09042	2.4
285.29623	4.6
328.31705	3.9
329.32141	8.1
331.12915	4.3
373.25204	4.4
390.35199	2.4
391.15115	13.2
391.24490	100.0
391.35989	20.2
392.25034	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	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01866	5.0
55.05507	3.3
57.03434	4.1
59.56575	0.9
61.02917	4.1
65.03921	4.9
67.05498	100.0
68.05829	2.1
68.99789	2.5
69.03422	25.0
69.07057	1.5
69.07533	6.7
69.07914	1.3
71.04987	3.0
73.02911	4.1
79.05495	3.2
81.03413	17.6
81.07054	13.4
83.08605	1.0
85.02897	72.7
86.03223	2.2
87.00821	28.1
91.03957	1.4
91.05466	1.4
92.16492	0.9
93.07056	1.2
95.08616	1.9
97.02888	22.6
98.52169	1.1
99.04442	10.9
103.03967	1.1
105.01855	45.4
105.07020	1.6
107.08573	3.5
108.04472	2.5
109.02870	18.0
109.06488	0.9
109.10143	53.3
110.10471	2.5
117.01861	1.8
119.08601	1.6
126.09949	1.3
127.03901	48.2
128.04243	1.5
129.01846	2.9
133.10126	1.3
143.08615	1.3
143.10646	1.1
144.11098	1.1
145.04948	27.1
147.02899	2.0
147.11716	1.1
158.21558	1.0
159.02893	9.9
189.03864	2.5
212.37898	1.0
213.03960	1.6
231.04999	12.9
248.07698	1.4
249.06071	3.5
253.14386	1.0
306.80734	0.9
392.26694	1.1
393.18625	4.5
393.27872	2.4
395.08118	1.0
396.01453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94952	3.0
57.37219	3.1
69.03441	4.3
70.06577	9.1
70.71548	6.3
79.05486	4.3
85.02898	11.2
107.04947	48.0
120.44260	3.6
124.91863	3.1
126.01034	6.8
135.08040	13.3
144.02126	8.1
163.07532	40.7
167.07013	100.0
195.10130	31.0
213.11182	94.3
214.11536	3.9
281.50577	3.3
393.24930	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	392.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75103	1.3
55.01870	2.5
57.03439	2.3
59.04995	1.8
67.05509	1.2
67.68872	1.3
69.03422	5.7
69.33167	4.4
69.89787	1.2
70.06595	1.7
79.05484	7.0
81.03409	2.7
81.07050	2.1
85.02900	14.7
85.06549	4.7
91.05481	3.3
93.07059	2.4
97.02890	4.1
99.04468	1.5
103.05473	4.6
105.07036	3.9
105.93746	1.2
107.04948	43.9
108.05277	2.7
109.02882	3.6
115.05493	1.5
117.07001	1.7
121.06553	1.7
124.05214	2.0
126.01093	1.7
126.03772	2.3
127.03918	4.1
128.07030	2.7
129.05481	2.4
131.04900	2.5
135.08057	15.3
137.05992	3.3
140.05678	1.2
144.02100	2.3
146.13272	1.4
149.06003	4.1
151.03896	7.2
151.04999	1.5
151.07565	1.5
152.04674	1.2
163.07542	33.5
167.07027	94.7
168.07336	3.0
177.05479	3.8
180.07800	1.8
181.08600	1.6
195.10144	32.2
211.97850	1.3
212.16440	1.9
213.11200	100.0
214.11574	3.6
219.07782	1.4
221.00742	1.8
230.17459	2.5
236.03139	4.2
246.01720	1.4
251.05510	3.0
264.02621	1.7
273.11179	1.5
279.05161	1.7
307.04456	17.8
315.17804	1.4
335.03903	5.7
350.06381	9.1
354.11276	1.3
356.78769	1.3
365.08679	4.8
375.11911	1.9
378.05756	4.0
393.08173	10.6
393.20746	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	392.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.4
59.04991	6.8
62.64887	3.5
64.35152	3.4
64.35480	3.2
67.88280	3.1
69.03435	6.9
69.61214	3.6
70.06587	21.5
71.04972	3.8
72.95239	3.4
75.17703	3.8
79.05477	3.7
81.03408	7.7
83.04961	12.3
84.05334	3.5
85.02885	18.2
91.05473	6.3
95.04959	4.8
97.02871	5.4
101.05999	9.5
105.07011	4.6
107.04942	50.4
109.02854	3.9
112.07588	11.0
115.05450	3.5
123.04399	5.2
124.07555	4.8
129.05455	7.2
135.04324	3.3
135.08017	16.1
138.09114	3.9
149.02299	8.6
150.02701	4.2
153.05487	9.6
163.07541	41.9
167.07025	100.0
177.09085	6.0
195.10178	35.3
213.11201	99.7
214.11555	7.5
229.77431	3.6
392.17676	10.6
392.22656	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	392.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01879	3.8
55.05507	3.5
57.03430	2.3
61.02921	2.9
61.51424	0.7
65.03928	4.7
67.05499	100.0
68.05834	2.5
68.99796	1.0
69.03426	15.4
69.07063	2.8
70.55959	1.8
71.04981	2.2
73.02920	2.0
79.05490	3.7
81.03410	11.3
81.07050	10.8
83.04985	1.1
85.02899	45.1
87.00819	19.2
91.05476	1.7
93.07057	1.9
95.08602	1.9
97.02889	18.1
97.06526	1.8
99.04449	7.8
100.04839	0.8
105.01860	31.2
105.07023	1.7
107.08581	2.3
108.04485	2.3
109.02871	12.6
109.10148	54.5
110.10526	1.5
110.92448	0.8
111.04396	1.1
115.03957	1.0
115.27473	0.8
117.01817	1.0
119.08556	1.3
121.06464	0.9
121.10184	1.1
122.92358	0.7
126.05516	0.9
127.03904	31.2
129.01836	1.2
135.11737	0.8
141.40601	0.7
145.04948	18.6
147.02875	0.9
159.02885	7.1
189.03943	1.7
213.03996	1.4
217.12221	0.9
222.73369	0.9
231.04997	10.9
248.07681	1.1
249.05991	2.6
269.62683	0.8
393.28113	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45454	0.5
51.81846	0.5
53.50994	0.5
69.48097	2.3
81.07046	0.7
81.51094	0.5
85.72645	0.5
87.54218	0.5
89.48166	0.5
91.05420	0.5
97.06551	0.6
107.23443	0.5
121.81882	0.5
143.08580	0.7
175.05058	0.5
195.08134	1.0
213.09033	1.2
227.05270	1.0
257.60944	0.5
259.09671	1.7
271.04193	1.3
283.82242	0.6
299.57983	0.5
307.11533	4.8
331.11395	0.6
349.12564	38.6
350.12967	2.5
360.66721	0.5
393.11530	100.0
393.18704	9.4
394.11920	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	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02301	0.4
60.77794	0.3
67.05474	0.4
68.05010	1.2
70.06573	0.4
70.80196	0.4
73.02912	0.9
74.06062	0.4
81.63468	0.3
87.86317	0.4
93.07033	0.3
124.05074	0.8
125.05956	0.9
130.04945	0.8
137.05946	0.8
140.03380	0.8
149.04564	1.0
149.05968	1.0
151.03912	4.1
151.04955	0.7
161.08263	0.5
166.07214	0.6
166.16747	0.4
172.06107	0.5
177.05435	1.2
179.07053	0.7
197.08075	1.3
201.06416	2.4
202.07196	2.4
203.07993	1.7
204.08789	6.6
213.09132	0.5
215.07986	1.5
216.08780	100.0
217.09239	5.2
218.10315	4.5
225.06415	11.0
226.07214	3.9
227.07954	1.0
228.08711	1.0
229.09567	1.2
230.10326	10.7
231.10591	0.5
240.08775	53.7
241.09320	4.2
242.06589	0.4
242.10289	0.9
246.09833	5.9
255.09818	0.5
258.09814	2.3
268.08215	5.5
268.10867	0.4
272.11292	3.3
273.11392	0.8
283.09372	1.3
286.09552	0.5
296.63242	0.4
300.10873	50.3
301.11243	3.2
311.08771	0.5
315.11969	1.0
333.13083	2.5
343.11407	2.1
344.12216	0.4
361.12589	4.7
375.14053	4.6
390.63614	0.4
393.15115	20.7
394.15430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1883
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05507	0.9
58.04236	0.7
58.77080	0.8
61.85424	0.7
69.23503	3.4
79.61116	0.7
81.07045	1.2
87.80244	0.7
88.63864	0.8
91.05476	1.0
93.07012	0.8
95.08598	1.3
100.42223	0.8
105.07011	1.5
107.43935	0.7
119.08629	0.9
137.02347	0.8
145.10054	0.8
151.03888	1.8
158.35773	0.8
223.14528	1.0
245.76666	0.8
328.79623	0.9
375.26938	1.8
393.18793	100.0
393.27701	3.6
394.19196	8.4
394.34201	1.6
403.74109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.8
57.03438	5.6
57.07070	35.9
57.24361	0.7
58.07397	0.8
67.05497	12.7
69.07063	8.8
69.22771	3.2
70.31613	0.7
71.08626	27.1
75.27439	0.6
79.05477	1.3
81.07050	15.7
83.08613	13.7
85.10173	13.8
85.10684	0.7
89.06028	4.8
95.08595	23.4
97.10144	6.3
98.98456	77.7
99.11703	1.0
107.08559	0.8
109.10148	11.3
111.11698	1.4
116.99504	1.3
121.61897	0.7
123.11690	4.5
129.53322	0.8
133.08606	1.6
137.13219	2.3
139.14851	0.7
151.14807	1.2
155.01025	100.0
156.01352	1.4
164.08913	0.6
164.46112	0.7
175.69096	0.7
195.12274	3.5
222.80849	0.6
236.94666	0.7
239.23680	6.6
248.34323	0.7
344.90057	0.7
347.10886	0.7
393.23819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93271	0.8
69.10973	5.5
70.31573	0.9
74.41413	0.8
98.23061	5.0
123.55030	0.9
141.49957	0.9
375.13812	5.9
393.26044	100.0
394.26468	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	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95612	4.1
55.05497	21.3
57.07067	28.7
64.11048	4.8
67.05503	43.5
69.07055	23.3
69.65293	19.2
71.08627	17.7
76.13581	4.9
79.05484	43.4
81.07050	57.0
83.08581	10.3
85.10180	16.0
89.06019	10.9
91.05467	62.9
93.07029	87.3
95.04953	62.8
95.08604	64.1
97.06519	14.0
98.98436	11.4
103.05441	7.9
105.07021	100.0
106.53717	5.0
107.08597	54.4
109.06521	11.5
109.10137	22.4
112.99986	6.3
117.06982	26.7
119.08569	90.3
121.06483	22.6
121.10144	32.1
123.07990	7.2
123.11710	13.5
128.06158	11.1
129.06992	20.6
130.07794	7.7
131.08560	40.5
133.06462	5.9
133.10121	46.9
135.11665	17.7
142.07758	22.1
143.08537	37.8
144.09268	8.8
145.10135	73.7
146.10516	6.2
147.11649	22.2
155.01012	20.0
155.08530	14.0
156.09296	11.7
157.10130	55.2
159.11685	54.8
160.12222	5.8
161.09538	12.3
161.13173	7.0
168.09349	5.5
169.02553	11.6
169.10091	19.8
171.11707	30.9
172.12280	5.6
173.09509	5.6
173.13245	18.7
175.11165	10.8
175.14861	13.3
179.08739	6.4
179.81883	5.0
181.10068	6.4
182.10936	6.9
183.11742	24.2
185.13249	10.3
187.14796	10.0
194.11023	6.7
195.11893	16.0
196.12254	6.8
197.09781	5.5
197.13266	14.7
199.14815	9.3
201.16441	9.4
209.13245	12.9
211.14809	13.2
215.14261	6.8
221.13268	7.5
225.16374	8.5
235.14850	6.6
245.55241	6.2
255.17247	5.9
265.19586	5.6
304.26355	9.0
306.52637	6.3
393.27713	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	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69844	5.2
50.83534	6.0
52.09630	5.1
53.47771	4.9
56.96552	6.2
69.93584	5.8
81.29504	4.9
85.02889	16.5
91.05476	20.3
98.97601	7.8
107.04959	8.1
111.81405	6.8
119.04926	36.5
121.10874	5.5
123.45805	5.5
135.04378	12.6
137.05945	30.7
143.20216	5.5
147.04396	80.4
167.07025	17.9
179.07022	100.0
201.77512	5.8
255.01674	10.8
273.02792	11.4
291.54834	5.5
300.22849	6.3
317.89282	5.8
334.10236	6.3
373.81760	6.1
387.69400	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	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01867	7.3
55.05509	5.2
57.03435	5.7
61.02924	6.8
66.62358	1.1
67.05497	2.2
68.99774	2.2
69.03426	37.1
69.07063	31.9
69.08705	4.6
69.09125	3.7
71.04999	5.0
73.02924	7.7
79.05486	1.7
81.03413	26.1
81.07048	2.0
85.02899	100.0
86.03239	1.8
87.00824	50.0
87.04462	1.5
91.03943	1.6
97.02886	36.4
99.04439	14.0
101.02328	1.5
105.01863	65.2
107.08564	1.6
108.04457	3.4
109.02872	25.0
111.11676	2.0
115.03923	1.3
117.01832	3.5
127.03907	66.9
128.04269	2.4
129.01855	4.1
145.04938	35.6
147.02873	3.7
159.02870	14.5
189.03986	3.8
213.04074	2.6
231.04994	16.2
249.06055	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	394.9117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96283	2.0
56.96561	32.6
59.74123	0.8
60.95830	1.1
69.81284	3.2
71.95263	1.1
74.93147	1.6
74.96187	0.9
84.96014	3.7
97.02888	2.7
98.97576	100.0
99.97935	2.2
102.96895	1.5
110.97557	6.2
110.98206	0.9
116.98616	76.6
119.01939	1.7
120.97883	3.8
128.98586	6.1
130.93288	2.7
131.00133	1.1
134.99649	41.7
138.98988	1.5
140.00183	1.1
143.00186	2.8
146.99661	3.7
148.94333	1.2
153.00723	5.5
158.99643	2.7
161.01251	2.5
170.99692	3.8
172.94333	4.0
174.97702	1.5
177.00793	4.3
186.99066	1.0
189.00682	3.1
190.95404	4.1
190.98605	3.1
191.02512	0.9
192.87840	5.4
192.98677	2.0
194.87512	1.1
201.00781	1.7
208.96404	2.7
210.88861	13.6
212.88539	1.1
212.92227	1.1
214.95465	1.1
219.01791	6.4
221.01753	1.4
228.89975	22.5
230.89746	1.9
230.94087	2.7
231.00165	1.0
232.96445	3.0
232.99632	2.7
234.89056	3.9
234.99837	2.3
237.02792	9.5
246.91075	15.0
248.90698	2.5
250.93132	3.2
250.97589	1.6
251.00557	1.6
252.90102	8.3
252.92633	1.6
252.96417	3.7
254.93677	2.2
254.96475	1.9
256.96542	3.8
258.99774	7.9
260.00031	1.8
261.00360	1.1
261.02890	5.4
262.03128	1.5
263.02774	1.7
264.92102	3.3
268.93979	5.0
269.94183	1.2
270.91095	41.4
270.93777	3.5
272.90781	2.5
272.94360	11.6
274.22272	1.2
274.97534	23.0
275.00446	1.8
275.97742	1.5
276.97726	1.8
277.00800	10.1
278.01041	1.2
278.96835	5.5
279.00717	1.6
279.03790	2.1
282.99936	1.5
286.89697	2.3
288.92102	96.9
289.92224	1.4
290.91821	6.6
290.95465	6.6
292.91409	1.4
292.98593	12.4
294.98099	0.9
296.97971	2.1
301.01016	1.3
304.86633	1.8
304.90671	1.9
306.93161	37.3
307.93811	1.4
308.93008	2.9
310.90009	5.7
314.95532	1.9
316.99075	1.3
323.02786	1.6
326.87494	1.5
328.90967	12.3
329.91116	2.0
330.93631	1.2
334.90201	1.8
335.02878	6.3
344.88779	1.1
346.91797	3.1
352.91071	7.6
353.03867	3.2
361.90652	1.3
364.88504	1.2
366.86542	1.3
368.89474	1.2
370.92059	36.3
371.92264	2.2
372.90100	1.2
376.89938	5.4
380.88785	3.0
386.89197	1.6
388.88348	2.0
388.93350	10.7
389.88248	3.7
390.91351	8.2
394.91159	10.9
395.91730	1.7
407.88849	2.5
408.88190	2.9
410.88834	2.1
412.92319	68.2
413.92499	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	395.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	16.4
65.35430	4.3
70.67062	7.6
72.14437	5.5
84.96037	6.6
94.59391	4.1
98.23249	4.7
98.97574	42.2
110.97571	13.0
116.98625	17.4
128.98628	11.5
140.98502	6.1
153.01862	5.8
170.99583	6.4
177.00699	9.6
180.00894	4.7
207.03221	10.2
212.96719	4.6
219.01741	15.3
225.04280	7.6
237.02754	23.0
309.06430	23.8
323.24414	5.6
327.07449	100.0
328.07571	7.8
395.07455	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44690	0.3
70.01850	1.0
72.08117	0.4
73.08911	0.3
81.07051	0.5
93.07016	0.4
95.04946	0.3
95.08604	0.5
105.03374	0.4
162.99982	0.9
194.87801	0.3
199.02063	0.8
214.18007	0.4
219.06244	11.7
220.06749	0.5
232.19090	0.7
233.19431	0.7
261.07236	1.2
377.08340	0.4
395.09421	100.0
396.09811	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55552	0.7
65.16086	0.6
71.25416	0.8
75.76707	0.7
98.22995	1.1
111.00987	0.7
131.20805	0.8
136.41368	0.8
153.06567	1.1
154.04970	1.3
185.04196	4.5
217.04689	1.8
232.07042	13.1
233.07802	10.8
364.11075	2.4
365.11737	1.0
395.13095	100.0
396.13388	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33488	0.4
67.24186	0.4
70.75133	0.4
85.21608	0.4
118.81757	0.4
124.82920	0.4
135.16689	0.4
137.54469	0.4
138.79529	0.4
147.04424	0.7
185.04208	5.3
202.17531	0.4
217.04704	1.1
232.07031	8.4
233.07808	11.1
263.14252	0.4
364.11255	0.8
395.13077	100.0
396.13348	6.2
416.35782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
59.04994	10.4
69.03128	0.7
69.03423	6.2
69.12410	0.7
69.58160	1.5
69.58575	2.3
71.08613	1.7
78.72621	0.8
81.03407	3.9
82.02946	1.0
85.02897	6.2
85.87379	0.9
87.04473	2.2
88.11281	5.1
94.91772	0.8
97.02877	3.8
99.04454	1.9
101.05996	2.1
105.01850	2.7
109.02865	3.0
115.03879	1.0
123.05309	9.3
124.03674	1.2
127.03886	5.6
128.03371	0.8
129.05473	12.6
145.04942	1.7
146.04497	2.3
151.04770	3.9
152.03194	5.9
153.01840	0.9
169.04692	5.8
169.05875	1.8
169.13353	4.8
181.99390	0.9
183.07407	15.2
192.92949	0.8
198.11302	3.7
215.13831	2.2
216.12268	3.4
221.09004	2.7
233.14977	11.3
252.08389	13.5
254.84729	0.9
280.07892	39.6
281.08344	1.4
281.11032	27.2
282.11407	1.3
297.10547	54.4
298.10916	1.6
330.34909	1.0
335.74484	0.9
341.58038	1.0
377.13553	2.1
395.14203	100.0
396.14551	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	395.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60261	1.1
55.01857	1.2
57.03419	1.0
58.76637	1.0
59.04988	7.3
68.24541	0.9
69.03427	8.9
70.06571	1.2
70.70887	1.7
71.08625	5.1
73.02907	1.5
74.02424	1.4
78.06314	1.2
81.03419	3.5
82.02907	3.0
84.04497	1.4
85.02908	7.9
87.00801	1.7
88.11263	13.7
97.02885	4.3
99.04417	1.8
101.05993	2.1
101.32725	0.9
104.82684	1.1
104.87365	1.0
105.01865	3.5
105.83541	1.0
106.02738	1.4
109.02879	2.9
115.03924	1.1
118.05007	1.0
119.43580	1.1
123.05284	10.8
125.82082	1.0
127.03902	5.4
128.03409	2.3
129.05487	7.8
133.04985	1.2
137.71855	1.1
140.40988	1.1
145.04932	2.9
146.04492	4.5
150.05237	2.5
151.04752	6.4
152.03186	10.4
156.91907	1.0
159.02924	1.3
169.04716	7.8
169.05760	1.7
169.13330	9.3
183.07477	0.9
198.11226	9.5
204.10922	1.1
215.13887	7.6
216.12323	9.4
221.09018	3.4
233.14928	25.4
252.08412	20.9
255.01642	1.3
274.68124	1.1
280.07889	49.1
281.08270	1.6
281.11121	4.3
297.10538	71.8
298.10791	2.3
395.14218	100.0
396.14423	6.1
398.43292	1.2
410.55762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11270	2.1
54.93604	1.8
60.25582	2.1
63.02382	2.0
63.24394	2.3
71.42433	2.0
79.05486	5.1
80.64134	2.1
89.03901	18.2
91.05466	16.1
95.04963	4.6
103.05460	11.8
103.94704	2.0
105.07010	13.1
107.04960	7.4
115.05460	20.9
116.06213	2.4
117.03374	56.8
117.07013	9.5
118.90577	2.2
119.04983	2.6
121.06496	8.6
128.06232	8.1
129.06995	12.6
130.07787	3.4
131.04929	17.0
133.06502	8.4
134.03664	3.4
135.04410	13.8
137.05965	9.3
141.06984	9.5
142.07817	2.9
144.05733	7.0
145.02840	100.0
145.06461	7.6
146.03259	2.2
147.04375	7.0
147.08018	4.7
149.05984	16.6
151.07552	2.8
157.06519	6.2
158.07256	12.7
159.04532	2.5
159.08025	7.2
160.05203	5.6
161.05981	12.6
161.09615	4.5
162.06752	3.0
163.03897	80.3
163.07552	16.9
164.04253	3.4
165.09021	2.4
169.06470	16.4
170.07137	4.5
171.04424	3.2
171.08035	3.8
173.09538	3.3
174.06772	7.7
175.03889	13.3
175.07536	43.1
176.08298	2.9
177.05463	88.6
177.09062	22.0
178.05859	3.1
179.01878	1.9
183.08037	2.7
184.08823	8.4
185.05977	4.7
186.06824	3.7
187.07535	34.4
188.08182	3.1
189.05449	10.2
189.09103	5.9
191.07066	4.0
200.08321	4.7
201.09113	24.7
203.07033	4.6
203.10597	4.9
207.06482	18.4
213.05591	4.0
215.07076	6.5
215.10660	15.9
216.04158	4.5
217.12247	3.1
219.08170	4.2
219.10155	40.5
219.12109	3.8
220.10667	2.3
231.06422	24.4
233.11711	26.0
249.09062	2.5
260.08359	2.8
261.09094	4.1
263.10623	2.5
265.08728	2.7
274.09961	2.8
275.10690	4.0
277.08569	8.0
278.09436	3.2
287.07162	3.3
289.08597	2.8
291.10187	7.5
292.07257	4.7
293.07950	5.5
293.11276	2.1
302.05774	2.7
303.10144	7.0
305.07944	4.0
305.11591	4.8
306.08768	2.7
307.09586	11.6
308.10260	5.1
309.11240	3.5
317.08151	4.7
317.11743	6.6
319.09625	4.6
320.10498	6.1
321.07675	2.5
321.11108	7.1
323.12677	3.1
333.11221	3.7
335.12674	22.0
345.11191	6.1
347.08960	2.5
349.10529	8.6
349.14371	4.6
351.12228	5.4
353.13800	30.0
359.13028	3.7
367.11423	3.2
367.15530	3.3
377.13904	19.4
382.24429	2.2
395.10876	8.0
395.15186	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2789
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
55.01857	1.5
55.05507	7.3
55.14865	0.6
57.03428	2.4
57.07077	3.1
65.03942	0.7
65.12138	0.6
67.05498	10.5
69.03409	1.2
69.07060	8.2
69.07785	0.5
71.04986	1.9
71.08616	2.6
71.42220	1.0
75.04478	1.3
79.05478	8.2
81.07049	12.3
83.04994	1.1
83.08621	3.3
85.06532	1.4
90.78648	0.7
91.05470	5.6
93.07037	10.5
95.04958	2.7
95.08594	12.9
97.06505	2.2
97.10178	0.8
99.08082	1.7
105.07014	5.8
107.08588	8.2
109.06505	15.8
109.10130	4.2
111.08070	1.4
111.11674	0.8
111.48116	0.8
117.07045	1.5
119.08556	8.1
119.78651	0.6
121.06488	1.8
121.10144	5.9
122.07276	1.5
123.08057	45.3
123.11671	1.4
124.08376	0.9
130.07805	0.8
131.08572	3.3
131.47702	0.6
133.10117	4.6
135.08035	16.0
135.11693	2.1
136.37320	0.7
137.09592	4.9
139.11174	1.5
145.10100	4.1
147.08014	0.8
147.11671	2.6
148.08762	0.9
149.09595	6.8
149.13222	1.1
157.10143	1.3
159.11667	4.2
161.09579	2.0
161.13219	1.8
163.11188	2.1
163.14790	1.1
165.12787	1.3
167.14291	1.2
168.71198	0.8
173.13272	1.1
175.11227	0.7
175.14777	1.0
177.12706	6.2
179.14285	42.5
180.14651	0.7
187.14830	1.5
191.14252	1.7
193.15887	1.0
201.16396	1.4
203.20789	0.8
205.15834	7.7
215.14259	0.9
219.17386	1.7
229.15866	0.8
235.17024	2.7
243.21129	0.8
247.16916	4.5
257.22583	0.8
261.18533	0.7
261.22086	0.8
265.17902	1.1
271.76392	0.6
275.23517	4.7
275.25925	0.5
285.22205	1.7
303.23138	56.2
304.23514	3.5
308.43341	0.7
321.20712	0.7
321.24277	2.2
339.21463	3.6
377.26727	1.4
395.27881	100.0
396.28165	7.8
408.50967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2789
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
54.73894	0.6
55.01853	2.5
55.05505	6.6
57.03430	3.3
57.07069	1.0
65.03937	0.7
67.05491	9.6
69.03419	1.1
69.07062	9.1
69.36482	3.5
71.04983	1.4
71.73997	0.6
75.04481	0.7
79.05486	7.4
81.07047	13.7
83.04977	1.2
83.08596	2.8
84.59959	0.6
85.06546	0.8
91.05469	6.3
93.07040	8.5
95.04967	2.3
95.08596	11.4
97.06514	1.8
97.10162	1.8
98.22682	1.3
98.67660	0.7
105.07019	5.8
107.08570	7.4
109.05825	1.2
109.06490	9.0
109.10132	3.6
111.08069	0.9
117.06997	1.1
119.08573	7.7
121.06489	1.5
121.10119	6.2
123.08052	48.0
123.11650	1.6
124.08426	0.7
125.09645	0.9
129.06969	0.9
131.08517	3.2
133.10120	5.0
134.07263	0.7
135.08037	14.7
135.11655	1.9
137.09569	3.8
137.13290	0.7
138.48578	0.6
139.11122	1.0
145.10117	4.0
146.07219	0.6
147.08058	0.7
147.11655	1.8
149.09593	6.7
149.13231	1.0
151.11118	0.9
155.08524	0.7
157.10077	1.4
159.11652	4.0
161.09558	0.7
161.13248	2.4
163.11179	1.3
171.11649	0.8
173.13246	1.5
175.14810	1.1
177.12747	7.6
179.14285	11.8
185.13205	1.1
187.14761	1.3
191.14293	1.2
193.15855	0.7
199.14804	1.0
201.16422	0.8
205.15785	3.2
219.17476	1.5
227.18430	0.7
229.15831	0.6
233.18918	1.0
235.16965	2.6
247.16939	5.6
249.18579	1.0
261.22250	0.9
265.17981	0.8
275.23712	5.4
285.22083	1.8
303.23138	53.5
304.23422	3.2
305.24731	0.9
321.24274	1.8
339.21506	4.1
377.26752	0.9
395.27853	100.0
396.28189	6.1
404.18469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2943
Annotation	Sargaol
Peak:m/z	Relative Intensity
51.02373	0.6
53.03930	0.8
53.67257	0.6
55.01866	1.3
55.05504	5.4
57.07053	1.7
65.03918	0.9
67.05493	11.4
67.39700	0.7
69.03424	1.6
69.07059	14.3
71.43156	0.7
77.03916	0.7
79.05476	8.2
81.03418	1.7
81.07044	21.4
83.04984	1.0
83.08602	3.6
91.05464	16.8
93.07029	17.6
93.07601	1.1
94.07384	0.7
95.04953	2.7
95.08591	27.7
97.06512	2.0
97.10171	0.9
103.05453	1.0
105.07015	20.6
107.04946	1.2
107.08577	13.0
107.96306	0.6
109.06533	1.7
109.10140	20.1
109.10883	1.1
110.10476	0.6
111.08046	3.4
115.05452	0.9
116.06210	2.1
117.07005	7.9
119.08559	14.6
121.06484	3.2
121.10136	5.4
123.08027	2.5
123.11683	11.0
124.30759	0.7
128.06230	3.0
129.07007	7.4
130.07742	1.7
131.08545	50.0
132.08887	1.7
133.06470	1.2
133.10114	10.7
134.10490	0.9
135.08060	1.7
135.11649	3.1
137.05922	1.1
137.09579	0.7
139.07529	2.5
141.06956	1.9
142.07755	2.3
143.08551	16.7
144.09331	1.0
145.06429	1.4
145.10100	24.9
147.08054	3.1
147.11676	8.6
149.09579	1.3
149.13240	1.0
155.08542	4.6
156.09302	1.8
157.10107	15.3
158.10814	1.5
159.08031	29.9
159.09337	1.4
159.11670	13.4
160.08411	1.4
161.09595	6.0
161.13206	4.7
163.11192	1.4
163.14731	0.9
167.08583	1.1
168.09341	1.1
169.10074	4.9
170.10870	1.5
171.08040	1.2
171.11641	8.1
172.12064	0.7
173.09654	5.6
173.13243	8.6
175.11205	1.8
175.14803	1.2
179.08578	1.8
180.09117	0.8
181.10089	2.0
182.10834	1.1
183.11679	4.5
184.12442	1.4
185.09608	2.1
185.13223	5.5
186.10352	0.8
187.11183	2.3
187.14777	6.0
193.10173	1.8
194.10930	1.0
195.11673	3.8
197.09601	1.0
197.13213	5.0
199.11145	2.1
199.14792	21.7
200.15091	1.6
201.12720	2.9
201.16377	2.0
207.11575	2.1
208.12466	1.4
209.13254	3.5
210.14029	0.8
211.11172	1.1
211.14857	2.0
213.12680	1.8
213.16412	3.3
215.10706	1.8
215.14282	1.9
215.17769	1.0
220.12364	0.9
221.13257	1.3
223.14828	3.3
225.12816	1.4
225.16295	3.2
227.14236	3.2
227.17795	0.8
229.15820	0.9
233.11571	2.0
233.15259	1.5
235.14729	3.3
237.12654	1.0
237.16335	2.3
239.14386	0.6
241.15872	2.6
241.19359	0.8
243.17419	2.1
247.14769	1.9
249.16377	1.9
250.13132	0.6
250.51291	0.8
251.14296	0.9
251.17874	1.5
253.15791	7.6
255.17387	1.1
255.18211	1.1
255.21057	10.9
256.21210	0.9
259.16937	2.5
261.18536	3.2
263.17758	1.3
265.15805	1.0
265.19391	0.8
267.17468	2.8
267.20956	0.9
271.16885	50.0
272.17245	3.4
273.18402	3.4
277.19577	0.9
281.18851	0.9
283.16879	0.8
283.20502	1.3
285.18430	6.9
286.19083	1.6
291.20929	0.8
293.19067	1.5
293.22409	0.8
298.19104	0.8
299.20026	1.0
303.21204	2.1
304.21066	0.7
307.20508	2.3
309.21985	1.6
311.20050	2.5
313.21481	1.9
319.24210	0.9
321.22079	4.0
325.21472	3.2
326.22202	3.3
327.23080	5.2
328.23801	0.7
337.24991	0.7
339.23135	13.3
340.23581	1.6
359.27298	1.5
374.66879	0.8
377.28354	7.4
378.28537	0.8
380.26736	1.6
395.29364	100.0
396.29742	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	396.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
53.91088	1.1
55.01860	7.3
57.03436	6.7
58.04464	1.3
61.02924	4.8
64.57628	1.3
68.99783	2.2
69.03063	2.2
69.03423	34.1
71.04977	4.7
73.02907	7.3
79.11434	1.2
81.03416	21.1
81.07053	1.5
83.93117	1.3
85.02897	100.0
86.03221	2.0
87.00826	39.9
87.04444	1.9
97.02882	28.6
99.04453	14.3
101.02406	1.5
105.01858	64.4
108.04501	2.7
109.02871	26.6
115.94253	1.3
117.01868	2.7
127.03903	71.3
129.01826	2.2
145.04945	32.5
147.02914	2.2
159.02884	14.5
171.02763	1.4
189.03922	4.1
190.53203	1.4
213.03986	3.2
231.04951	21.2
249.06038	3.7
306.99619	1.3
411.26825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01868	6.1
55.05502	3.2
57.03414	6.5
57.07058	2.8
61.02908	7.9
67.05497	4.4
68.99767	4.1
69.03421	35.3
69.07059	4.6
69.27113	5.8
71.04983	3.6
73.02901	6.2
79.05491	2.0
81.03413	23.1
81.07040	6.4
83.08619	1.7
85.02897	100.0
87.00823	43.0
91.03950	2.6
91.05490	2.9
93.07043	4.7
94.07368	1.7
95.08593	5.3
96.08961	1.7
97.02884	29.0
97.06548	1.8
97.13763	1.5
98.23438	2.8
99.04440	11.8
105.01860	71.4
105.07021	4.4
107.08572	5.7
109.02875	27.9
109.10144	3.8
117.01832	3.2
119.08569	3.6
121.10108	1.7
127.03908	70.5
127.04855	3.6
128.04240	2.6
129.01765	3.7
133.10170	3.7
143.08585	2.3
145.04945	27.9
145.10132	2.9
157.10201	1.9
159.02876	11.5
161.13086	2.1
167.69696	1.6
189.03918	2.3
213.03816	4.0
231.04988	17.6
249.06041	6.8
351.04919	2.3
378.28662	3.4
395.82556	1.9
396.20712	8.0
396.29617	9.1
397.25677	5.7
397.30740	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	397.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39399	0.4
60.37414	0.4
66.92578	0.4
70.00932	1.3
73.20076	0.5
98.22984	1.0
98.97615	0.5
133.19818	0.4
226.17787	0.4
235.05728	1.9
367.09955	5.4
397.11008	100.0
398.11362	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	397.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09921	0.7
53.77003	0.5
59.04995	0.7
68.57861	0.6
69.03375	0.7
69.80291	2.1
70.06554	0.7
81.03367	0.7
84.80415	0.6
85.02876	0.9
98.22717	0.9
101.06005	1.6
109.97245	0.6
110.07083	0.7
115.07514	2.6
115.08266	0.7
127.03804	0.6
130.41731	0.7
133.08569	1.5
145.27718	0.6
159.47792	0.6
194.10698	0.7
201.08914	0.8
203.06660	1.8
235.09364	1.8
391.94427	0.8
397.10730	100.0
397.14783	11.0
398.10822	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	397.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00126	0.5
53.03935	1.3
56.05023	3.1
58.62407	0.6
67.05495	0.7
69.32834	0.6
69.35881	1.8
69.36289	1.4
70.06605	0.9
75.28867	0.6
81.03410	24.7
83.62230	0.5
84.04497	94.9
85.02907	2.4
85.04833	1.4
98.06020	0.6
98.23300	2.1
101.07122	7.7
102.05529	2.8
127.03889	0.9
130.04991	100.0
131.05325	2.3
137.20006	0.5
147.07629	50.0
148.07953	1.1
153.01848	0.7
155.01065	0.6
251.05505	1.4
382.73755	0.7
397.11191	5.4
397.15320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
56.35977	1.1
60.23518	1.1
67.05502	7.3
69.07070	11.1
69.16293	2.7
69.16698	3.7
71.04983	2.7
79.05476	5.0
79.05886	1.1
81.07051	11.8
83.08613	2.4
91.05480	6.4
93.07042	8.9
95.04964	2.1
95.08601	22.1
97.06529	2.7
97.10154	1.8
99.08099	1.1
100.11243	1.8
105.07023	9.0
107.04942	1.6
107.08588	7.8
109.06502	1.8
109.10167	8.4
111.08076	1.7
117.07050	1.5
119.08578	6.4
121.06541	1.6
121.10119	4.6
123.08055	1.9
123.11709	4.4
125.57405	1.3
127.11206	10.3
129.06963	2.4
131.08565	6.0
133.10120	5.7
135.08017	1.7
135.11693	4.3
137.05989	2.8
139.07538	2.7
142.07823	1.2
143.08560	3.2
145.10126	6.3
146.03432	1.5
147.08067	1.7
147.11661	5.5
149.09627	1.9
149.13197	2.2
155.08617	1.8
157.10135	5.4
157.45879	1.2
159.11705	6.4
161.09557	1.2
161.13266	2.8
163.11247	1.7
169.10078	1.4
171.11659	4.7
173.09608	3.1
173.13264	2.8
175.11197	4.4
175.14806	1.6
183.11694	3.6
185.09627	1.7
185.13263	3.6
187.03683	5.4
187.11217	1.4
197.13333	1.7
199.11127	1.6
199.14786	2.5
200.12038	1.4
201.05251	4.4
201.12718	2.3
202.05984	67.0
203.06441	3.1
203.14398	1.1
206.16951	1.2
209.13245	1.5
211.14801	3.1
213.16422	2.2
215.14363	1.2
217.15791	1.8
218.05536	3.7
220.84496	1.2
225.16402	2.7
227.17876	1.7
239.17799	1.8
240.18718	1.7
243.17415	3.2
251.17975	2.0
253.19530	3.2
255.17336	3.3
261.18649	2.6
268.18170	2.4
269.18973	3.4
270.19766	13.2
271.20639	1.7
273.11389	1.8
285.18436	3.0
286.19217	7.6
319.13556	1.5
329.24811	1.5
361.28915	1.5
367.11597	7.6
379.11438	5.7
379.30032	10.3
396.29959	1.8
397.12579	100.0
397.17874	12.9
397.30942	55.0
398.12790	7.5
398.31540	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	397.1467
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
68.38740	0.4
71.15536	0.6
71.20367	0.4
73.03357	0.3
81.03416	0.6
85.02904	0.5
87.45170	0.4
91.36058	0.4
97.45609	0.4
104.72400	0.4
109.02898	0.5
127.03899	0.7
137.06003	1.6
175.07521	0.5
179.06903	0.4
185.04189	3.0
186.54652	0.4
189.05283	0.5
219.06204	2.0
234.08611	6.7
235.05833	0.6
235.09378	9.1
254.13362	0.5
313.03708	0.5
367.13681	0.7
397.14661	100.0
398.15039	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	397.1643
Annotation	Predurallone
Peak:m/z	Relative Intensity
54.79506	0.8
55.01865	1.8
55.05501	2.1
67.05496	3.7
69.03412	1.4
69.07046	4.6
69.40280	0.9
70.21366	0.9
75.66045	0.9
79.05482	2.7
81.03442	1.5
81.07056	5.3
83.04980	1.3
91.05479	7.8
93.07034	4.2
94.04166	3.7
95.08585	8.4
97.02861	1.0
103.05491	1.5
105.07011	6.6
107.04945	1.4
107.08598	5.4
109.06521	2.3
109.10134	3.7
115.05449	1.5
117.06976	2.4
119.04949	2.4
119.08557	3.3
121.06492	1.2
121.10135	2.7
122.03638	5.9
123.08045	1.2
123.11713	1.5
128.06190	2.9
129.07010	4.7
131.04907	2.0
131.08514	3.6
133.06522	1.3
133.10124	3.5
135.11703	1.5
137.05956	83.3
138.06276	2.1
141.06970	2.9
142.07736	3.8
143.08554	3.4
145.06459	1.3
145.10107	3.9
147.04378	2.3
147.11687	2.9
149.05975	4.2
149.13213	1.1
151.03885	2.4
151.07513	3.2
152.06067	1.0
153.05481	1.2
155.08534	6.2
157.06499	2.4
157.10124	2.8
158.07246	1.5
159.08055	2.5
159.11690	2.1
161.05954	5.2
161.09605	2.1
164.36476	1.0
165.06929	2.1
167.08522	2.4
171.08080	4.1
172.08748	1.0
173.09622	2.1
173.13217	1.7
174.06726	1.0
175.11177	1.0
177.05408	2.9
181.06526	1.3
182.07243	1.4
183.08037	3.4
183.11554	1.2
185.09601	3.1
186.06740	1.7
187.07539	3.3
188.08264	1.4
189.09120	2.0
195.08026	2.8
197.09528	1.8
197.13249	1.5
198.06721	2.7
199.07518	3.8
199.14684	1.4
200.08246	1.3
201.09071	2.3
202.07767	4.0
203.08511	1.2
203.10640	3.3
211.07500	1.5
211.14680	1.1
212.08247	1.4
213.09038	4.9
215.08601	3.2
215.10710	3.2
216.09358	2.3
217.10181	5.8
218.07182	1.6
219.08154	1.2
223.14880	1.2
225.09103	2.0
225.38538	1.0
228.09387	1.3
229.10139	4.2
231.08032	2.7
231.10173	4.4
232.08780	1.3
233.09554	2.7
239.08578	1.3
239.17899	1.3
241.10104	1.6
243.07959	1.7
243.10152	2.8
244.08778	3.4
245.09564	8.0
245.11755	1.9
246.10190	1.8
247.07591	2.1
247.11128	2.4
248.08171	1.9
251.18042	1.5
255.17342	1.5
256.08707	1.7
257.09604	8.4
258.10355	3.0
259.07422	2.2
259.11200	2.7
260.08041	1.6
261.08963	3.5
261.11371	1.8
262.09885	2.6
263.10699	1.2
269.09613	2.7
269.18976	2.8
271.07516	2.6
272.08307	1.5
273.09061	3.9
274.09879	3.2
275.10626	4.6
276.07764	1.3
277.08884	2.0
277.12173	6.4
279.13507	1.3
285.09100	5.1
285.18567	1.2
286.09845	4.9
287.10666	2.7
287.19940	1.7
288.11438	1.4
289.08792	1.4
289.12338	2.8
290.09384	2.4
291.09970	3.3
293.11407	1.8
298.09720	1.5
301.08563	3.4
301.12021	2.0
302.09256	3.3
303.10098	6.0
304.10803	2.2
305.08218	2.0
305.11667	6.3
306.08792	2.2
306.12347	1.4
307.09637	1.4
307.13248	2.5
308.10483	1.8
314.09305	2.4
315.10068	2.0
317.08420	1.3
317.11777	5.9
318.08929	1.5
318.12308	1.9
319.09824	1.9
319.13153	2.1
320.10391	1.8
321.11124	4.5
322.11981	1.3
323.12595	1.3
329.11682	2.7
331.09589	2.7
333.11334	4.2
334.11850	2.3
335.12698	3.6
336.13345	1.9
337.13925	1.4
346.12036	2.8
347.12720	3.8
349.14380	4.2
351.12183	2.2
351.30328	1.4
354.14542	1.8
361.14398	4.8
361.29041	1.3
366.14627	1.4
367.15289	5.3
379.15195	9.7
379.29865	5.0
397.16391	100.0
397.30801	10.9
398.16635	9.1
415.86966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08520	1.6
52.85682	1.6
55.05489	5.6
67.05489	6.9
69.07067	19.1
69.16039	11.1
69.30836	1.7
78.04672	2.7
79.05491	9.0
81.07050	14.6
83.08623	3.1
91.05470	16.5
93.07046	8.0
95.04958	2.5
95.08607	14.9
99.51135	1.7
103.05451	2.2
103.43945	1.6
105.07005	9.3
107.04928	4.2
107.08601	8.5
109.06498	3.6
109.10148	13.1
117.07030	5.5
119.04955	6.7
119.08556	10.1
121.06487	4.3
121.10116	5.3
122.03642	6.0
123.08089	3.5
128.06216	4.8
129.06989	9.2
131.04906	3.2
131.08537	10.5
133.06461	3.8
133.10112	4.3
135.11658	2.7
137.05962	84.9
141.06985	5.8
142.07777	6.8
143.08566	8.2
145.06456	4.8
145.10117	7.2
147.04408	2.7
147.11665	5.2
149.05974	5.1
149.13298	3.3
151.03893	2.4
151.07509	10.6
153.06961	3.7
154.07816	2.2
155.08566	6.1
157.06494	2.4
157.10133	7.2
158.07272	3.7
159.08060	7.4
159.11667	6.2
161.05978	11.9
161.09644	3.8
161.13231	2.7
163.07585	2.1
165.06995	5.2
167.07043	5.1
167.08426	3.1
169.06409	3.0
169.10121	6.4
171.08058	6.0
171.11678	5.1
172.08842	4.0
173.09764	2.7
173.13260	3.2
175.07564	3.1
175.11172	2.0
181.10097	2.7
182.07249	6.0
183.08023	4.9
183.11612	2.5
184.08795	3.9
185.06032	2.1
185.09596	6.2
185.13297	2.2
186.06686	2.1
187.07529	8.0
187.11165	3.0
189.09007	2.3
191.07053	4.1
194.07294	4.4
195.08000	4.8
195.11699	5.6
197.09583	8.4
197.13361	3.5
198.06723	14.7
199.07480	10.5
199.14810	3.9
201.09196	3.4
202.07773	3.5
209.13264	3.5
210.06667	2.8
211.07565	5.8
211.14767	2.9
212.08327	4.0
213.09102	21.7
213.16438	2.8
215.08664	3.1
215.10672	6.8
217.08418	2.8
217.10347	2.5
219.07939	2.5
225.08998	13.4
231.08142	4.9
237.16243	2.7
243.08006	3.7
243.10138	17.5
243.17462	1.9
244.82149	2.3
245.09650	4.7
246.10284	1.9
247.07568	2.5
249.09196	1.9
251.17924	6.1
255.10185	6.5
257.09680	5.2
258.10492	2.7
260.08249	3.3
261.09073	5.2
261.18582	2.1
263.10788	3.1
263.18018	2.0
265.08545	2.6
269.18994	17.8
271.07584	3.6
273.11267	49.1
275.10596	4.6
276.07809	4.6
277.08554	4.8
277.12238	3.1
278.09393	3.5
285.09073	2.9
286.09964	2.6
286.19296	3.5
287.10730	2.3
287.20306	2.2
288.07953	2.7
289.08618	5.1
289.12109	3.5
291.10144	7.8
292.07242	2.5
293.08047	3.5
293.11774	5.0
301.08630	3.9
302.09256	3.1
303.10242	4.4
305.11597	4.1
305.22717	3.2
307.09732	11.7
308.10535	7.1
317.11710	4.3
319.09665	4.1
320.10501	3.7
320.14075	2.2
321.11371	8.5
323.12415	2.6
323.23413	2.8
333.11285	3.3
335.12778	7.9
336.13766	3.4
337.14359	2.1
339.12170	3.6
347.12738	2.9
349.14478	5.9
351.12207	12.5
354.14648	17.3
361.14304	2.1
361.28857	3.0
367.15363	4.8
379.15326	15.6
379.29922	12.4
397.16492	100.0
397.25577	10.3
397.31006	36.7
398.16733	7.9
398.31186	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	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03448	1.0
65.03923	0.9
66.04733	1.0
67.05501	2.2
69.03410	2.4
69.14733	3.5
69.15139	2.2
79.05489	2.7
81.03410	1.5
81.07032	3.0
85.02938	1.9
85.06555	1.6
91.05473	13.6
93.07038	1.4
94.04179	4.3
95.04944	1.1
95.08608	1.3
95.79725	0.8
103.05459	2.9
104.18642	0.9
105.07032	2.9
107.04945	2.5
107.08577	1.3
107.15405	0.9
109.06500	3.0
111.04492	1.2
115.05460	3.7
117.07028	2.3
119.04948	6.1
119.08549	1.7
121.06487	2.0
121.10136	1.4
122.03636	8.4
123.08096	1.0
127.03941	1.3
128.06235	6.2
129.07001	8.1
131.04941	4.8
131.08566	6.1
133.06454	1.9
133.10121	1.9
135.04431	0.9
135.08070	1.0
137.05969	100.0
138.06303	2.2
141.06990	3.8
142.07747	2.4
143.08562	3.4
144.05693	3.1
145.06476	3.0
145.10132	1.5
146.03604	2.6
146.07297	1.6
147.04393	2.9
147.08109	1.0
149.06004	5.1
151.03915	1.5
151.07529	11.4
152.06210	1.2
153.06975	2.7
154.07805	2.2
155.08521	6.4
157.06479	4.4
157.10179	2.1
158.07237	2.9
159.08035	7.6
161.05966	17.1
161.09633	3.2
163.07501	2.6
165.06998	3.8
167.08606	2.2
168.05635	1.4
169.06497	4.2
170.07260	2.6
171.04362	1.0
171.08026	5.8
172.08846	4.8
173.06027	1.3
173.09589	3.0
175.07544	4.9
175.11192	1.2
181.06462	2.1
182.07314	7.6
183.04468	1.7
183.08093	5.3
184.05107	1.6
184.08838	3.3
185.06003	3.2
185.09602	11.8
186.06732	3.2
187.07549	7.6
187.11186	2.1
188.08270	1.2
189.09117	2.8
189.12785	2.1
191.07010	8.3
194.07243	3.3
195.08063	2.5
196.08641	1.5
197.05966	2.2
197.09586	12.1
198.06755	18.5
199.07521	10.8
199.11140	1.2
200.08348	3.3
201.09116	4.3
202.07788	2.6
203.08649	1.9
203.10674	1.3
205.08640	1.7
209.09711	1.2
210.06758	5.0
211.07619	5.0
212.08269	6.3
213.09085	25.1
214.09619	2.0
215.06874	1.0
215.08723	1.9
215.10625	9.2
217.08548	2.9
217.10352	2.3
217.15764	1.5
218.07260	2.0
219.08040	1.3
224.08270	2.4
225.09085	13.4
227.10698	1.7
229.08325	1.7
229.10211	2.4
231.08128	2.2
231.10165	2.9
232.08833	2.0
233.05928	1.0
233.09532	1.8
234.06680	1.0
237.09146	1.7
241.10405	1.4
242.09406	1.6
243.07977	2.6
243.10123	16.2
244.10818	1.1
245.09624	4.7
245.11784	2.8
246.10315	1.3
247.07574	2.6
247.11168	1.4
248.08301	2.1
249.05403	1.0
249.09177	2.3
250.06195	1.4
250.09671	1.0
255.07976	1.1
255.10201	8.3
257.09558	4.3
258.10294	1.9
259.07498	2.2
260.08389	2.3
261.09164	6.7
262.09912	2.4
263.07104	2.1
263.10696	1.4
264.07742	3.4
265.08566	3.3
269.09656	1.2
271.07474	2.8
272.08295	2.5
273.11240	56.8
274.09485	2.1
274.11960	1.8
275.07181	1.3
275.10666	5.3
276.07813	4.1
276.11172	1.0
277.08560	7.4
277.12256	3.3
278.09323	3.8
279.10004	1.6
283.09637	1.6
285.09158	4.2
286.09625	1.9
287.07074	2.5
287.10483	2.4
288.07770	3.2
289.08563	5.9
289.12207	3.7
290.09396	4.0
291.10031	8.2
292.07315	3.9
292.10599	2.0
293.08127	4.8
293.11700	6.6
294.08914	1.8
301.08542	4.0
301.11856	1.2
302.09360	3.0
303.10178	7.6
305.08270	2.2
305.11710	4.5
306.08902	2.4
306.12338	1.2
307.09677	13.8
307.13101	1.6
308.10370	8.7
309.11044	3.0
315.10114	1.5
316.07486	1.2
317.08231	1.5
317.11630	6.0
317.23804	1.0
318.12314	1.6
319.09607	4.1
319.13147	1.7
320.10364	2.7
321.11185	9.3
322.11969	1.4
323.12735	3.1
325.10706	2.5
329.11578	1.3
331.09613	1.3
333.11099	4.3
334.11856	2.4
335.12811	7.2
336.13370	4.4
337.14236	2.3
339.12234	3.4
346.11929	1.1
347.12805	1.7
348.13504	1.5
349.10641	1.2
349.14249	5.0
351.12213	16.5
351.16071	1.8
352.12939	1.2
353.13718	3.2
354.14566	24.5
355.15182	1.2
361.14331	3.8
364.13065	1.3
365.13870	1.6
366.14484	2.5
367.15378	4.6
379.15341	12.3
380.15628	1.2
397.16437	75.0
398.16699	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	397.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01633	1.5
53.03928	2.1
55.01857	7.0
55.05503	8.1
57.03426	3.7
61.02900	1.9
65.03938	3.2
66.16944	1.6
67.05492	15.2
68.34065	1.5
68.99772	3.5
69.03423	27.8
69.07053	13.1
69.18022	7.0
71.01329	2.8
71.04970	4.9
73.02924	3.2
79.05486	17.0
81.03403	13.6
81.07053	23.2
83.04958	6.1
83.08594	2.3
85.02898	20.7
85.06523	2.1
87.00814	11.9
87.04484	2.0
87.26586	1.8
91.05470	22.4
93.07037	41.9
94.07379	1.9
95.04961	12.3
95.08599	34.3
97.02887	18.0
97.06515	6.1
99.04433	5.7
103.03989	1.9
103.05436	2.3
105.01836	2.9
105.07016	35.0
106.45982	1.6
107.04927	4.0
107.08584	100.0
107.63491	1.7
109.02876	3.2
109.06503	11.0
109.10154	26.6
111.04429	7.0
111.08117	3.7
113.02360	2.1
113.40113	1.5
115.03902	5.6
115.05414	2.4
117.07001	6.9
119.04912	2.7
119.06042	3.5
119.08564	35.6
120.08845	2.1
121.06507	8.3
121.10127	49.8
122.03648	2.3
122.10439	2.3
123.04414	3.8
123.08031	6.4
123.11679	4.7
125.05957	3.0
127.03917	7.5
127.11150	3.2
128.06206	3.1
129.01787	2.8
129.05435	2.3
129.06995	6.9
131.08559	18.5
133.06448	2.7
133.10124	21.8
135.04422	2.7
135.08038	4.7
135.11646	13.9
137.05957	37.4
137.09550	4.0
140.60576	1.6
141.06970	4.0
142.07761	2.7
143.08556	6.7
145.06468	2.4
145.10117	18.5
145.35973	1.6
147.02832	2.0
147.04401	2.5
147.08055	4.0
147.11665	23.7
149.05977	3.8
149.09595	2.5
149.13258	19.2
151.07516	6.7
153.05482	3.4
153.07028	2.1
155.08507	5.7
155.37131	1.4
156.09406	1.5
157.06450	3.0
157.10100	8.5
158.07265	2.0
159.02875	2.5
159.08037	7.3
159.11664	19.4
161.05945	4.1
161.09599	5.0
161.13255	22.6
163.07556	2.6
163.11160	2.7
163.14764	3.2
167.07115	3.9
167.08505	2.4
168.09338	1.8
169.10121	4.7
171.08110	2.0
171.11681	7.0
172.08881	1.9
173.09563	8.1
173.13222	9.1
175.07571	2.2
175.11153	6.0
175.14757	3.9
177.12711	8.4
179.14285	17.3
182.07304	2.6
182.10806	2.0
183.08150	2.0
183.11615	4.0
185.09662	5.3
185.13190	2.9
187.07526	2.0
187.11186	2.9
187.14743	2.1
189.03929	3.6
189.12741	7.5
189.16270	2.6
191.06955	2.4
191.10683	2.3
191.14310	2.6
195.11705	2.0
197.09596	4.4
197.13213	5.6
198.06775	5.5
199.07433	2.7
199.11067	2.5
201.03973	2.1
201.09021	3.4
201.12653	4.4
201.16357	2.0
203.14287	4.0
207.13773	4.6
209.13200	1.6
211.14725	5.6
213.09128	6.2
215.10564	3.0
215.14294	5.8
217.15807	2.5
219.13754	2.1
221.13263	2.7
225.09108	2.2
225.16322	2.9
227.14270	2.5
229.15843	6.9
231.13788	2.5
233.15327	4.6
235.16824	1.8
239.14259	3.6
241.16020	1.9
243.10155	6.7
245.15388	2.7
253.19493	3.3
255.17447	2.8
257.15326	22.4
261.08990	2.3
269.18893	4.6
271.07819	1.9
271.20413	1.6
273.11234	19.1
275.16354	35.1
285.18298	1.9
286.19019	3.0
287.20096	3.0
290.09396	2.2
293.17392	5.1
307.09576	4.4
309.10922	1.7
311.18408	3.5
335.12817	2.4
343.15021	1.9
349.14520	2.1
351.12225	4.4
354.14514	5.3
361.16510	8.1
361.28769	3.1
379.17648	14.8
379.29803	5.4
397.16214	28.3
397.30975	28.7
398.16754	1.7
398.31207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.31
Annotation	Topsentisterol D2
Peak:m/z	Relative Intensity
55.05500	3.3
56.54159	1.5
57.07074	2.2
63.69116	1.7
64.57725	1.6
65.59853	1.5
65.60236	1.5
67.05497	9.4
69.07061	13.0
71.43132	2.0
79.05484	4.1
80.94853	3.5
81.07058	8.6
83.04992	2.4
83.08595	3.6
91.05472	4.1
93.07038	6.1
94.35519	1.6
95.08600	18.9
97.06509	10.7
97.10201	1.6
105.07021	4.6
107.08594	6.1
109.10129	15.5
111.11690	1.8
113.97240	1.6
119.08571	9.8
121.10143	2.3
129.06981	2.5
131.08537	6.0
133.10139	4.7
143.08543	5.6
145.10114	4.8
147.11688	3.3
155.08546	8.2
157.10129	7.2
159.11723	3.7
169.10202	2.6
171.11601	4.3
173.09628	7.4
181.10104	6.6
183.11717	9.7
185.13196	3.9
187.14749	3.4
193.10069	3.1
195.11632	5.5
197.13232	4.1
199.11102	2.5
199.14767	2.9
207.11635	3.6
209.13301	6.1
213.12732	4.3
223.14827	3.0
225.12738	4.5
227.14258	10.2
228.15024	4.0
235.14891	2.9
241.15782	3.0
253.15823	5.3
267.17480	8.6
268.18219	4.7
269.18991	3.4
280.15753	1.8
281.79269	1.9
289.66052	2.0
294.19885	2.5
323.23633	7.0
379.29913	100.0
380.30127	11.5
397.30872	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	397.3099
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
53.03942	1.3
55.01862	1.6
55.05501	10.9
57.07071	8.7
58.42713	1.0
65.03925	2.2
65.18382	1.1
67.05502	23.4
69.03419	1.2
69.07060	36.6
71.08631	5.5
79.05479	15.3
81.03419	1.6
81.07052	38.8
83.04973	2.6
83.08620	8.0
85.02915	1.7
85.10154	2.0
91.05466	21.5
93.07034	33.6
95.04948	5.1
95.08600	66.6
96.08938	2.4
97.06538	3.4
97.10167	4.1
98.22687	2.1
105.04565	1.5
105.07021	33.6
106.07366	1.6
107.04948	2.5
107.08586	31.7
109.06514	4.6
109.10146	30.6
109.44629	1.0
110.10522	1.7
111.01616	1.3
111.04429	1.2
111.08080	2.2
111.11733	3.6
115.05460	1.4
117.07011	7.5
119.05983	1.1
119.08569	23.8
120.08910	1.8
121.06495	8.4
121.10133	20.9
123.08086	6.0
123.11693	10.7
125.09620	1.6
128.06238	2.9
129.06992	6.5
131.08556	21.9
132.08904	1.6
133.10118	25.7
135.08041	3.9
135.11702	11.5
137.05936	2.5
137.09605	3.7
137.13272	3.9
139.80539	1.2
141.06969	2.9
142.07784	3.5
143.08549	12.9
144.09239	1.2
145.10118	26.8
146.10568	1.2
147.08052	3.7
147.11667	26.9
149.09657	2.2
149.13242	12.4
151.14812	2.2
155.08537	9.9
157.10124	14.9
159.08075	3.5
159.11691	17.0
161.09599	7.1
161.13246	7.3
163.11188	4.0
163.14841	5.5
165.09213	1.2
167.08559	3.9
168.09407	2.3
169.10107	11.3
170.11006	1.0
171.08058	2.2
171.11713	9.0
173.09608	10.2
173.13242	9.8
175.11176	12.1
175.14828	5.5
177.12773	1.3
177.16365	6.1
180.09218	1.8
181.10083	5.3
182.10872	1.8
183.11652	9.3
184.12323	1.4
185.09666	2.0
185.13254	10.9
187.11220	3.6
187.14780	5.5
189.09200	1.1
189.12709	3.0
189.16344	2.4
191.10724	2.7
191.17880	2.1
193.10178	3.3
195.11716	8.1
196.12180	1.4
197.13222	15.0
198.14003	2.7
199.11197	2.2
199.14789	7.5
201.12796	3.2
201.16393	7.9
203.14273	1.8
203.17979	5.0
205.19557	1.6
207.11790	2.8
209.13284	9.0
211.14784	8.8
213.12732	3.1
213.16403	5.1
215.14326	4.7
215.17982	2.9
217.15829	1.5
217.19676	1.2
221.13290	2.5
223.14838	3.0
223.52876	1.2
224.15504	1.9
225.12845	1.7
225.16345	12.1
227.14244	3.7
227.17908	2.6
229.15839	3.9
229.19490	1.5
233.15379	3.0
235.14833	4.2
237.16350	3.9
238.17145	1.9
239.14389	1.7
239.17957	12.7
240.18645	7.9
241.15840	2.9
241.19539	12.7
243.17424	2.9
243.21158	1.5
247.16971	2.4
249.16309	6.0
251.17921	11.0
252.18564	1.5
253.15836	9.9
253.19409	5.3
255.17505	4.1
255.21005	2.3
257.22656	3.7
259.09793	1.1
263.18008	2.5
265.19559	2.9
266.20233	1.7
267.17468	8.4
267.21027	3.0
268.18210	4.7
269.18933	19.2
269.22260	2.1
271.16867	3.8
271.20447	2.1
273.18359	2.4
277.19424	3.1
279.21008	1.8
281.18909	1.7
281.22397	1.3
282.19666	1.3
283.20441	1.7
285.18509	11.0
285.22021	3.6
286.19147	3.3
287.17050	1.9
287.20053	23.6
287.22946	2.1
288.20340	1.8
291.21121	2.0
295.20627	1.2
295.24234	1.7
297.22168	2.9
297.25610	2.5
299.20187	2.8
301.21426	1.1
305.22678	3.5
309.22131	1.8
311.23676	1.3
313.21594	2.5
315.23203	2.4
319.24359	2.0
321.25687	1.4
323.23935	5.4
327.23291	1.5
337.25378	2.6
341.24567	2.6
351.30426	20.4
352.30600	1.3
361.28824	13.9
369.31470	1.6
370.32040	1.2
379.29898	57.8
380.30154	5.6
397.16736	4.5
397.31003	100.0
398.31332	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	397.3099
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
53.03966	0.9
55.05505	7.7
56.80489	0.6
57.07064	2.1
65.03928	1.2
67.05496	19.1
69.07061	21.9
69.38323	1.5
69.38711	1.9
70.06609	0.7
71.04974	1.0
79.05479	10.3
81.06561	1.4
81.07042	26.9
83.04986	1.4
83.08597	5.0
83.62304	0.7
91.05459	11.1
93.07032	20.5
95.04948	4.5
95.08595	41.5
96.08923	0.9
97.06518	2.2
97.10153	2.6
100.11256	2.2
105.07014	21.4
107.04981	1.6
107.08577	25.6
109.06522	3.3
109.10140	34.1
110.10458	1.2
111.08081	0.8
111.11726	2.8
113.43576	0.7
115.05428	0.8
117.06982	4.3
119.08559	15.3
119.94701	0.7
121.06464	4.3
121.10131	16.3
123.08068	5.9
123.11675	7.8
125.09583	1.0
129.07022	3.0
131.08553	11.9
133.06465	0.9
133.10109	12.7
135.08066	4.1
135.11674	10.0
137.05983	5.7
137.09595	2.2
137.13251	3.5
139.07503	0.8
141.06985	1.2
142.07755	2.2
142.12253	0.8
143.08572	5.4
144.09372	1.2
145.06416	0.9
145.10095	16.9
146.10451	0.9
147.08046	3.0
147.11667	13.5
149.09583	3.3
149.13260	9.9
151.11205	0.9
151.14825	1.7
153.43771	0.8
154.07765	0.9
155.08556	4.2
157.10074	8.1
159.08018	2.2
159.11681	13.1
161.09596	5.5
161.13219	6.2
163.11134	1.7
163.14775	4.2
169.10068	3.8
171.11658	4.7
173.09636	5.3
173.13223	5.5
175.07634	0.8
175.11176	9.2
175.14850	3.4
177.12761	1.6
177.16342	7.5
181.10127	2.6
182.15244	0.9
183.11688	3.3
185.09596	1.2
185.13214	4.7
187.11172	1.7
187.14789	4.9
189.12715	1.3
189.16428	3.0
191.17946	1.6
193.12302	1.0
195.11693	2.4
197.13226	3.9
198.06642	1.3
199.11198	1.9
199.14745	4.7
201.12740	2.8
201.16364	5.9
203.14311	2.0
203.17944	5.1
207.11754	1.3
209.13210	2.0
210.14798	0.9
211.14850	3.0
213.09062	1.7
213.12737	1.1
213.16417	3.1
215.14223	3.8
215.17909	1.8
221.13286	1.1
223.14894	1.2
225.16412	2.0
227.14333	1.9
227.17873	2.2
229.15822	3.8
231.17369	1.7
233.15308	1.9
235.14835	1.2
237.16396	2.2
239.17949	1.4
241.15848	0.9
241.19466	1.5
243.17358	1.6
247.16928	2.8
249.00969	1.0
249.16409	1.6
251.17943	3.0
253.19547	1.7
255.17511	1.5
257.22531	4.3
259.17020	1.0
261.18524	1.8
263.17966	1.4
265.19440	1.1
267.17535	1.1
267.21036	1.7
269.18958	8.8
271.20599	1.8
273.11227	3.8
273.18515	1.4
277.19421	1.1
279.20935	1.3
281.19040	1.0
281.22522	1.0
283.20456	2.0
285.18613	1.1
285.21991	1.2
286.19119	1.5
287.19949	7.3
293.22452	1.0
295.20459	1.1
297.22220	1.3
301.21640	1.6
305.22592	1.6
313.21768	1.7
315.23080	1.6
319.24124	1.3
323.23630	3.3
335.12619	1.0
337.24835	1.0
341.24670	2.3
361.28806	8.4
379.29913	25.1
380.30273	2.3
397.16672	5.8
397.30969	100.0
398.31290	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	397.31
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
50.10092	0.9
53.03929	2.3
55.01856	1.2
55.05291	0.9
55.05512	9.7
56.33598	1.1
57.07060	4.6
57.82024	1.0
65.03915	1.2
67.05163	1.3
67.05499	22.3
69.03423	1.9
69.07064	34.3
70.64603	1.4
71.04967	0.9
71.08617	1.6
76.22525	0.9
79.05477	14.2
81.03421	0.9
81.07049	33.7
83.04966	2.9
83.08624	5.7
85.02895	1.0
91.05461	14.0
93.07034	31.6
95.04949	4.2
95.08598	52.0
95.09209	2.5
96.08949	1.0
97.06522	4.5
97.10167	2.5
99.08103	1.7
100.11240	2.3
101.90622	0.9
105.03398	1.4
105.04509	1.3
105.07021	25.3
107.04931	2.0
107.08588	20.2
109.06495	4.0
109.10151	33.4
110.10486	1.0
111.08060	3.5
111.11739	2.4
115.05401	1.0
117.07025	7.7
119.08574	17.7
121.06493	7.5
121.10126	14.5
123.08052	4.0
123.11709	8.8
124.11882	1.2
125.09566	1.0
127.03865	1.2
127.11176	1.8
128.06223	1.1
129.06990	4.4
130.07724	1.0
131.08542	13.9
133.10115	18.0
135.08083	2.1
135.11681	8.3
137.05930	1.9
137.09619	1.6
137.13245	3.0
139.07547	5.9
141.06990	1.8
142.07780	2.5
143.08543	8.4
145.10109	17.7
147.08049	4.4
147.11682	13.5
149.09599	2.6
149.13286	6.2
151.14812	1.2
155.08510	5.9
157.10112	11.7
158.07237	1.5
159.08026	3.2
159.11662	15.8
161.09605	5.8
161.13214	6.5
163.11154	2.4
163.14801	3.5
165.06943	1.6
166.07785	1.2
167.08533	1.8
168.09180	1.1
169.10101	6.0
171.07996	2.3
171.11681	6.4
173.09641	14.4
173.13226	8.9
174.69098	1.1
175.11162	14.7
175.14842	4.4
177.12831	1.0
177.16391	5.4
179.08557	1.1
181.10120	3.5
183.11630	9.1
185.09598	1.4
185.13268	6.5
187.11198	4.5
187.14793	5.6
189.12737	2.0
189.16382	3.2
191.17921	1.6
193.10283	1.3
195.11696	3.5
196.12511	1.2
197.09746	1.1
197.13162	6.5
198.14063	1.3
199.11194	3.4
199.14827	7.6
200.11958	2.9
201.12698	6.5
201.16415	4.5
203.14438	1.3
203.17949	3.6
207.11607	1.1
209.13277	3.8
211.14824	4.7
213.12769	2.5
213.16382	4.6
214.16917	1.2
215.14287	5.2
215.17760	2.2
217.12254	1.1
217.15855	2.3
223.14810	3.3
224.15314	1.4
225.12662	1.2
225.16331	6.5
227.14317	2.4
227.17763	2.4
229.15884	2.9
233.15350	3.8
235.14845	1.6
237.16284	2.2
239.17975	2.4
240.18761	2.9
241.15927	3.9
241.19524	4.2
243.17444	9.7
243.21049	1.2
247.17001	2.0
249.16409	1.7
251.18015	3.9
253.15826	3.2
253.19501	4.2
255.17404	3.6
257.18933	1.2
257.22632	4.0
259.16833	1.5
261.18494	9.5
267.17404	2.2
267.21021	1.6
268.18079	7.2
269.18994	8.9
269.21814	1.3
271.20532	1.5
273.18277	1.6
281.18900	2.4
283.20486	1.5
285.18494	6.4
285.21774	1.3
286.19235	18.6
287.19904	6.6
295.20813	1.1
297.22235	1.9
299.20068	1.8
305.22653	1.5
309.22015	1.7
311.23840	2.3
313.21606	1.7
315.23184	2.2
323.23575	5.4
327.23242	2.1
329.24744	3.8
341.24686	3.6
351.30383	2.2
361.28879	5.6
379.29953	26.5
380.30356	2.5
397.16473	2.9
397.30972	100.0
398.31320	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	397.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.0
53.03944	1.4
53.89432	0.9
55.01890	1.0
55.05508	14.9
57.03426	1.0
57.07074	7.4
67.05503	23.6
69.03426	3.8
69.07066	38.7
69.28011	1.9
69.28403	2.8
71.04996	1.6
71.08626	5.0
79.05486	15.7
81.03416	1.9
81.07051	39.4
83.04961	3.1
83.08626	8.3
83.30350	1.0
85.02921	2.6
85.06537	1.5
85.10174	2.6
85.24343	0.9
91.05470	18.9
93.07040	27.4
93.07603	1.9
95.04956	5.9
95.08602	65.4
96.08974	1.6
97.06538	2.4
97.10162	3.5
97.90369	0.9
99.08092	0.9
103.05494	1.0
105.04482	1.2
105.07024	31.3
107.04989	2.1
107.08585	28.4
108.08918	1.7
109.02843	1.2
109.06520	4.0
109.10149	40.5
110.03273	1.0
111.08057	2.2
111.11701	5.7
115.05470	1.8
117.07013	9.2
119.04956	1.2
119.08563	22.4
121.06507	6.3
121.10136	21.2
122.10452	1.0
123.08059	4.3
123.11699	8.3
128.06227	2.3
129.06993	7.6
130.07803	1.3
131.08566	16.4
133.06538	1.4
133.10114	20.2
135.08057	4.9
135.11691	8.1
137.05956	2.4
137.09644	2.3
137.13264	4.5
141.07004	3.2
142.07768	2.8
143.08543	10.7
145.06476	1.3
145.10112	30.8
147.08046	3.4
147.11687	17.4
149.09590	2.3
149.13277	9.2
151.11118	1.3
151.14861	2.7
153.07010	1.2
155.08527	10.8
156.09286	2.4
157.10123	14.2
158.10622	1.0
159.08055	3.9
159.11684	21.2
160.12189	1.1
161.09644	5.8
161.13240	7.2
163.11201	2.1
163.14850	3.6
165.06902	1.8
166.07770	1.5
167.08591	2.8
168.09328	1.5
169.10117	11.1
171.08032	2.3
171.11671	9.1
172.12276	1.1
173.09602	7.4
173.13254	10.2
175.11172	7.6
175.14867	4.0
177.12782	1.1
177.16409	5.4
179.08617	1.1
179.17902	1.1
181.10127	6.1
182.10963	1.3
183.11644	10.8
183.13101	1.2
184.12410	1.4
185.13222	9.5
187.11192	2.8
187.14789	5.1
189.12709	2.9
189.16383	3.9
191.10733	2.0
191.17960	2.3
193.10123	4.2
194.10941	1.9
195.11647	8.3
196.12422	1.6
197.09554	1.1
197.13269	10.4
198.14043	3.5
199.11215	3.1
199.14777	9.3
201.12784	4.1
201.16438	5.7
203.14240	2.6
203.17949	5.9
205.10207	1.0
205.19594	1.4
207.11679	3.0
209.13245	10.5
210.13594	1.3
211.11255	1.5
211.14835	7.6
212.15503	1.3
213.12840	2.1
213.16364	5.0
215.14359	4.9
215.17978	4.3
217.15871	2.3
217.19429	1.5
221.13235	3.3
222.13983	1.4
223.14799	5.9
224.15639	2.0
225.12683	2.9
225.16351	15.5
226.16827	1.2
227.14337	2.4
227.17902	3.5
229.15953	2.5
231.17384	1.3
233.13339	1.5
233.15448	2.1
234.13976	1.7
235.14893	4.7
235.16850	1.1
237.16333	5.6
238.17236	2.4
239.14278	1.1
239.17932	12.2
240.18684	11.3
241.15895	3.5
241.19453	12.9
243.17445	2.9
245.19270	0.9
247.16971	2.4
249.16405	6.3
250.16882	0.9
251.17905	10.2
253.15851	13.2
253.19571	3.4
255.17410	3.0
255.21057	1.8
256.18298	1.0
257.19006	2.4
257.22614	3.4
259.17151	1.4
263.18039	2.4
265.19531	3.6
266.20102	2.4
267.17468	8.0
267.20978	4.7
268.18292	7.9
269.18985	15.7
269.22183	1.7
271.16992	4.1
271.20316	1.1
273.18463	1.9
277.19446	2.2
279.21072	2.9
281.19089	1.3
281.22580	1.7
283.20599	1.7
285.18530	15.2
285.21854	2.2
286.19183	3.6
287.20038	7.1
295.20517	2.9
295.23849	1.7
297.22180	3.0
297.25586	1.8
299.20224	1.5
301.21753	1.0
305.22784	2.8
309.22162	1.6
309.25806	1.6
311.23636	1.4
313.21704	2.1
315.22977	1.3
319.23984	4.5
323.23758	3.7
333.25201	1.0
337.25327	2.6
341.24597	2.3
351.30399	25.1
352.30820	2.2
361.28882	14.4
362.29340	1.8
369.31497	3.8
379.29913	53.1
380.30334	4.8
392.23785	1.0
397.17941	5.5
397.31000	100.0
398.31302	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3101
Annotation	alpha-Micropteroxanthin A
Peak:m/z	Relative Intensity
50.99712	1.4
55.05505	10.7
57.07067	3.6
65.03935	1.6
67.05502	17.1
69.07063	20.2
70.71808	2.7
77.61854	1.5
79.05486	17.5
81.07051	26.7
83.08609	5.9
83.46376	1.4
88.22439	1.5
91.05465	17.8
91.11491	1.6
93.07044	22.8
95.04953	3.4
95.08596	51.9
97.06512	2.6
97.10167	3.3
105.07025	28.8
107.04932	3.3
107.08585	27.8
108.08974	1.6
109.06509	4.4
109.10142	25.7
111.11619	1.8
113.29549	1.6
117.06997	6.3
119.08556	17.8
121.06506	6.6
121.10121	15.1
123.08055	7.0
123.11701	7.4
125.09653	2.0
127.11161	2.4
129.07001	6.4
131.08539	15.7
133.06496	2.2
133.10097	18.9
135.08035	3.1
135.11685	11.2
137.05960	7.7
137.09641	4.9
137.13205	3.6
141.06970	1.7
142.07745	2.5
143.08539	7.6
145.10095	22.9
147.08070	2.3
147.11690	27.0
149.09604	4.5
149.13229	15.5
155.08560	5.6
157.10080	11.2
159.08015	2.3
159.11681	16.9
161.09619	8.7
161.13252	7.3
163.11186	3.7
163.14815	5.2
167.07034	8.2
167.08389	2.2
169.10104	4.4
171.11687	5.8
173.09605	11.8
173.11995	1.6
173.13150	8.4
175.11189	12.8
175.14816	3.7
177.12773	1.7
177.16360	8.7
181.10144	3.4
183.11670	3.7
185.13223	5.0
187.11168	2.1
187.14757	4.1
189.12737	2.5
189.16324	1.8
195.11697	3.8
197.13237	6.3
199.11241	1.7
199.14806	6.0
201.12737	2.3
201.16321	8.1
203.14206	1.7
203.17963	5.8
209.13261	3.7
211.14865	3.5
213.16364	3.3
215.14316	3.7
223.14787	2.6
225.16342	2.7
227.14322	2.5
227.17955	3.2
229.15910	3.0
233.15366	2.6
235.16940	2.7
236.15872	1.6
237.16481	2.7
241.15778	2.2
241.19572	3.0
243.21089	1.6
247.17006	2.5
251.17906	8.2
253.19490	7.4
255.17415	7.0
257.22617	7.8
267.17722	2.6
267.20938	2.5
269.18958	18.2
271.20529	4.0
273.11316	2.4
273.18423	4.3
285.18759	1.7
285.22086	2.5
287.17117	1.5
287.20010	31.7
288.20242	2.6
291.06320	1.6
291.20859	2.1
295.20624	2.4
296.20593	1.6
297.22049	3.2
301.21524	2.7
309.22028	1.9
313.21768	2.5
315.23175	3.7
323.23608	3.4
337.24951	1.7
361.28754	9.9
366.09247	1.7
379.29962	37.8
380.30084	3.1
397.16483	8.7
397.25787	7.0
397.30948	100.0
398.31274	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	398.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01855	2.6
55.05510	12.4
55.28014	1.8
57.03426	2.6
59.05003	22.5
61.02926	2.1
65.83041	1.7
68.03637	1.7
69.03421	10.2
69.49762	9.5
71.04975	2.3
71.64211	2.0
73.02917	2.5
73.06545	15.1
81.03420	8.1
83.04977	5.1
85.02911	25.3
87.00820	14.8
97.02891	15.2
99.04449	4.4
101.05341	4.1
101.06011	84.5
102.06294	2.4
102.54987	2.0
105.01845	9.6
105.17295	1.9
109.02859	7.8
115.07563	89.8
117.01874	2.1
127.03888	19.4
133.08598	100.0
145.04964	7.1
159.02838	4.1
172.58122	2.0
202.01173	1.9
231.05022	3.1
277.85800	2.1
398.14621	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08007	1.4
53.03934	3.4
55.01863	3.4
55.05504	27.6
57.03413	1.9
59.04992	7.6
59.89885	1.4
61.02913	1.7
69.03423	13.5
70.76112	2.4
71.04982	2.1
73.02924	2.8
73.06551	26.7
75.50822	1.3
81.03417	10.0
83.04977	10.3
85.02898	22.4
87.00821	10.6
97.02885	13.7
99.04449	3.3
100.11240	2.6
101.06009	100.0
102.06337	2.4
105.01870	9.5
109.02884	7.1
109.89991	1.5
115.07555	44.4
116.07779	1.7
116.91413	1.4
127.03898	15.4
133.08592	86.5
134.08968	1.9
145.04935	6.2
159.02902	3.5
184.83740	1.2
207.21782	1.5
218.83519	1.4
231.04968	3.5
231.52380	1.3
398.14627	3.4
399.16110	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	21.2
69.03414	72.2
69.07050	30.1
70.66691	10.7
72.40392	8.5
80.55074	7.4
81.03401	13.3
81.07060	13.8
85.02898	96.6
87.04456	39.1
93.07027	7.9
97.02884	67.3
98.09663	25.1
99.09969	14.5
101.06003	19.2
102.16813	8.9
103.05441	18.4
109.06504	14.9
111.08081	11.6
115.03927	82.9
115.07532	12.0
116.11885	8.7
127.03876	20.1
127.07523	14.6
131.04942	42.3
133.04936	100.0
145.04924	29.6
154.04962	19.1
163.06023	18.2
163.07535	25.2
183.10123	14.2
187.80035	8.4
201.11270	10.2
219.12239	18.1
224.17133	8.7
276.71600	7.6
291.18427	8.8
398.14337	20.7
399.16595	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	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.6
55.05497	7.7
57.03425	30.1
59.04995	11.2
61.02926	6.7
69.03062	7.2
69.03423	97.8
69.07059	21.7
70.06595	6.4
71.04966	4.8
73.02907	10.7
78.64734	4.2
79.05502	7.1
81.03410	14.2
81.07040	13.2
85.02894	100.0
85.06508	6.2
87.04456	62.8
91.03958	4.5
91.05453	7.6
93.07030	10.9
95.04949	4.6
95.08595	4.4
97.02890	68.6
97.06544	9.2
99.04445	10.2
99.08091	4.8
101.06023	17.5
103.05447	5.2
105.07031	7.2
107.08533	5.5
109.02844	7.8
109.06508	7.6
111.08077	10.2
115.03917	85.9
115.07571	16.0
119.08597	5.0
125.09620	4.0
127.03928	21.8
127.07547	8.1
129.05469	5.7
131.04936	11.7
133.04953	98.2
133.08580	8.2
145.04958	29.3
150.07654	11.4
153.01828	5.1
161.05957	10.5
163.06001	17.8
163.07388	6.1
165.09108	7.2
171.10158	9.5
183.10141	6.0
195.10298	7.2
201.11226	9.6
203.09512	5.0
218.11768	11.4
219.12201	9.2
236.12781	33.5
241.07076	4.7
259.08136	8.0
280.87372	4.3
303.01358	7.0
321.31006	4.9
398.14557	6.6
399.06985	10.4
399.12292	13.6
399.16174	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	398.977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	11.8
59.95606	1.1
69.42914	3.0
72.57716	1.1
75.42010	0.9
97.02859	4.5
98.97571	83.2
116.98611	52.2
118.13486	1.1
119.01906	2.6
134.99641	23.7
153.00732	3.2
172.94339	3.2
177.00943	2.7
190.95401	4.4
208.96494	1.3
212.92247	1.4
214.95432	2.2
215.95638	1.3
219.01982	2.2
221.01851	1.1
230.93372	1.7
232.96509	6.5
237.96951	1.3
238.97513	1.1
244.97910	1.0
250.97453	3.7
254.93369	2.2
256.93518	1.7
256.96399	15.7
257.96698	1.2
258.99783	7.8
261.03046	7.6
262.03247	2.6
263.02893	4.0
270.91489	1.4
272.94455	7.9
274.97479	100.0
275.97821	3.1
276.97733	1.5
277.00839	7.4
278.01083	1.8
282.99948	19.2
284.00082	3.5
286.99631	1.0
288.92111	1.5
290.95456	3.1
292.98547	56.4
293.98904	1.5
300.97620	2.1
301.00964	20.3
302.00992	5.8
314.95609	3.4
316.98941	2.0
318.98672	2.4
319.92535	1.3
330.93109	1.1
332.96756	1.2
336.93634	1.3
337.93488	1.4
344.94632	2.0
370.91394	1.3
372.94092	3.1
376.90466	2.8
380.96725	7.6
381.93109	4.6
382.43143	2.2
394.91235	11.2
398.98038	26.9
399.98096	5.1
410.89221	3.0
411.89285	1.4
412.92596	2.2
416.94809	5.7
417.93222	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50243	0.3
56.96285	0.6
56.96559	11.5
69.03423	0.8
69.92581	0.4
69.92936	0.6
71.95271	0.4
74.31930	0.3
74.74398	0.3
97.02870	0.5
98.97570	82.0
110.97547	1.1
112.90863	0.4
116.98606	51.2
117.98933	0.3
122.07141	0.4
128.98584	1.0
130.93262	1.5
134.99644	19.3
138.05470	0.7
140.00130	0.5
146.99623	0.4
148.94312	0.6
152.98436	0.3
153.00677	1.8
153.01808	0.7
154.93297	0.5
158.01234	0.4
158.99715	0.6
163.03894	1.0
168.03609	0.5
172.94328	5.6
174.97615	1.4
177.00603	0.3
180.97697	0.9
190.95367	5.2
192.98763	0.9
197.95203	0.4
201.00768	0.4
204.90099	0.8
208.96426	1.7
211.02650	0.4
214.95348	1.9
215.02292	0.5
216.98724	0.4
217.05373	0.4
219.01730	1.1
222.91109	0.4
230.98338	0.5
231.00285	0.6
232.96399	7.1
232.98676	0.4
237.02762	2.0
241.93985	0.5
246.91071	2.6
249.01247	0.8
250.09203	0.4
250.97453	4.0
256.96365	14.0
258.99777	2.7
259.99777	0.4
264.92175	1.7
272.96127	0.4
274.97452	100.0
275.97870	2.0
276.97949	0.7
277.00711	2.6
278.00992	0.6
282.92950	0.4
288.92282	2.1
288.95828	0.3
290.97009	1.8
292.98523	57.5
293.98843	1.3
297.99014	1.6
298.97775	0.8
306.93262	2.5
314.95441	0.9
316.00226	0.5
316.98672	1.2
324.94223	0.4
330.93152	4.7
332.96399	0.5
333.96280	0.4
346.92651	0.4
348.94205	3.2
398.98868	1.5
399.05878	2.9
399.12317	3.2
416.99255	2.7
417.05676	0.5
417.12231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	0.6
56.96557	9.6
70.60976	0.7
71.95249	0.5
73.92008	0.4
74.37328	0.4
97.02914	0.5
98.97572	79.3
110.97559	0.7
116.98611	47.5
117.98966	0.4
125.09842	0.4
130.93280	1.3
134.99644	14.7
138.05481	3.4
140.00154	0.4
146.05965	1.5
148.94305	0.4
153.00673	1.2
158.99562	0.5
163.03940	0.5
168.37057	0.4
172.94319	5.1
190.95367	4.7
197.95116	0.7
204.90108	0.5
208.96431	1.4
214.95396	1.9
219.01729	0.9
224.52094	0.4
232.96394	6.9
237.02702	1.2
246.91090	2.0
250.97531	3.1
256.96399	13.4
258.99753	2.4
264.92099	0.9
274.97470	100.0
275.97772	1.7
277.00845	2.3
288.92239	1.3
292.98523	56.8
293.98868	1.3
297.99112	1.6
300.88977	0.4
306.93250	1.6
310.99622	0.8
314.95322	0.5
316.00235	0.6
316.98846	0.5
330.93204	4.6
339.09216	0.5
348.94254	2.7
374.99164	0.5
398.14389	0.9
398.97913	1.3
399.12573	34.2
400.12759	1.7
416.98373	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	13.7
60.46217	10.8
73.34182	9.2
97.02859	8.9
98.97565	26.6
116.00826	9.8
116.98611	11.7
120.79111	9.8
122.80089	10.8
128.98544	11.6
131.04929	14.6
161.63280	14.1
194.99649	9.9
217.06827	10.9
237.02751	15.5
274.97574	13.5
282.32800	11.4
292.98544	14.9
316.75946	12.3
326.91217	11.8
380.88223	13.0
386.13483	11.3
399.06836	31.1
399.12534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03733	22.5
57.10851	22.9
65.57488	22.2
65.73411	25.5
66.12614	23.1
70.62483	39.4
75.47093	28.3
82.53867	21.9
86.76011	24.8
91.65939	23.0
94.93008	26.3
98.22980	32.8
98.97581	41.1
158.99702	60.3
177.00734	26.6
187.05598	33.1
193.77795	26.9
219.01782	47.3
250.09229	31.4
258.95984	24.0
399.07016	55.6
399.12436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	34.9
63.03985	22.5
67.05499	30.9
69.07059	43.0
70.92972	28.4
70.93349	28.1
79.05479	33.0
91.05453	27.8
95.08603	51.7
97.23048	27.4
98.22979	33.8
105.07030	28.5
109.10129	42.6
112.97272	24.8
133.10091	47.4
135.11769	26.8
147.11781	27.9
159.11781	31.4
398.31189	92.1
399.19543	100.0
399.32230	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	399.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24398	0.4
70.92464	0.6
98.97573	3.5
110.97549	0.6
116.98610	1.3
134.99640	0.7
136.06215	0.6
176.91399	0.5
237.07237	0.7
274.97409	3.4
292.98578	1.6
385.28781	0.5
399.12573	100.0
400.12967	6.1
400.17880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42237	0.4
56.96564	3.1
69.03400	0.5
70.06586	0.7
88.04533	0.4
97.02890	2.0
98.97572	22.9
102.05566	0.5
116.98615	12.1
134.99635	5.9
136.06181	1.1
137.05968	0.7
145.03511	0.7
146.06058	0.4
153.00682	0.7
153.01830	0.5
161.02919	0.6
172.94376	1.4
173.51591	0.4
174.97624	1.2
175.11891	0.8
187.05641	0.5
190.95425	1.2
192.98723	0.5
208.96564	0.5
214.95332	0.9
219.01909	0.7
219.05110	0.8
232.96461	1.7
235.63373	0.4
237.02620	0.6
244.04408	2.1
249.01364	0.5
250.09448	0.9
250.97440	1.0
256.96378	3.6
258.99850	0.7
274.97437	27.7
275.48767	0.5
275.97903	1.1
277.00873	0.8
292.95148	0.8
292.98508	16.1
293.99045	0.8
298.97656	0.7
301.00870	0.7
313.06674	0.7
315.06976	0.6
316.98865	0.9
321.08319	0.8
339.10504	0.9
348.06967	1.5
355.06860	0.5
357.11874	1.6
375.12961	1.8
381.10892	0.7
399.12598	100.0
400.12973	5.6
417.00070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26182	2.5
86.47325	0.4
157.19612	0.4
159.40820	0.4
202.05983	9.2
202.07738	0.9
203.06700	0.8
271.92203	0.4
351.11917	0.6
399.14069	100.0
400.14413	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	399.141
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48322	0.8
81.07046	0.6
91.05497	0.4
107.08578	0.4
137.05988	0.3
143.08577	0.5
145.10065	0.4
147.07988	0.5
149.13243	0.5
163.07567	0.4
175.07556	0.4
187.03647	0.8
189.09123	0.7
197.24815	0.4
202.05981	9.2
203.06749	0.8
214.54243	0.4
219.10179	1.5
399.14102	100.0
400.14417	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	399.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
55.05501	2.0
57.07072	0.9
65.23267	0.5
67.05492	3.5
69.03414	0.7
69.07063	3.9
69.74891	0.6
71.08621	0.8
71.68553	0.6
79.05483	2.4
81.07053	5.4
82.07356	0.7
83.08598	1.2
91.05471	3.0
93.07035	4.1
95.04972	0.9
95.08601	6.5
96.08944	1.0
97.10161	0.8
105.07027	4.1
107.08567	3.3
109.06487	0.8
109.10167	4.1
111.00800	1.3
117.07028	0.9
119.08583	3.3
121.10138	2.3
123.11690	1.8
129.06902	0.7
131.08530	1.9
133.10126	1.6
135.11694	1.2
143.03406	1.0
143.08521	0.9
145.10110	2.4
146.10461	0.9
147.11656	3.2
155.08530	1.4
157.10121	1.5
159.11676	1.8
161.09680	1.0
161.13345	0.9
162.09943	0.7
165.12782	1.3
169.10179	1.0
171.02908	1.2
171.11719	0.8
173.13254	0.8
175.11244	1.0
177.40793	0.6
183.11549	0.8
184.12413	0.7
199.14743	0.9
201.03685	1.4
213.16473	0.8
215.17664	0.6
219.17390	0.6
227.05174	1.4
240.18307	1.0
243.04774	7.2
268.17831	0.7
269.18796	1.4
271.04257	2.7
287.03714	21.7
287.06778	1.4
287.19818	1.1
289.05203	1.2
313.16223	2.0
337.16183	0.9
352.31128	0.7
355.12833	1.1
355.17239	19.2
356.17682	1.0
363.29706	0.9
380.30435	1.8
381.31311	3.4
383.28870	0.8
398.31339	3.5
399.16205	100.0
399.27164	41.5
399.32263	4.7
400.16455	7.9
400.27560	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34987	0.7
55.01864	2.1
55.05499	2.1
57.07056	1.2
67.05495	3.7
68.63958	0.7
69.07056	5.0
71.08645	1.0
71.42574	1.2
77.56922	0.8
79.05482	2.9
81.07043	6.1
82.07346	0.7
83.04980	1.2
83.08595	1.2
84.69864	0.7
87.56229	0.8
91.05476	2.9
93.07034	4.2
95.08595	6.8
96.08917	0.9
97.06520	1.0
105.06995	4.4
107.08601	4.3
109.02855	0.8
109.10146	6.1
110.10473	1.2
117.07006	0.9
119.08582	3.2
121.10107	1.9
123.08114	0.9
131.08524	2.0
133.10130	2.1
135.11752	0.9
137.09619	1.0
137.13254	0.9
145.10126	2.6
146.10468	1.6
147.11687	2.6
149.13298	1.1
151.03970	0.9
157.10112	1.7
159.11678	2.1
160.12030	0.8
161.13252	1.6
167.03261	0.7
169.10094	0.8
171.02856	1.0
171.11725	1.0
175.11229	1.2
175.14862	0.8
193.04973	1.1
201.16281	0.8
206.12578	0.8
227.05368	1.3
237.16333	1.0
259.05984	1.1
271.04413	2.2
287.03690	1.7
288.20081	0.8
313.16055	3.7
337.16360	0.9
355.17252	28.0
356.17471	1.4
380.30206	1.6
381.31427	2.8
398.31393	3.7
399.16214	100.0
399.32355	5.6
400.16672	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	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01861	1.2
57.03431	5.7
59.04988	1.0
61.02911	2.5
67.05470	0.7
69.03423	9.1
69.07082	0.6
71.04986	0.9
71.43663	0.8
73.02924	1.0
75.04462	1.2
77.03921	0.7
79.05476	0.8
81.03403	5.6
81.06982	0.8
85.02396	1.3
85.02898	20.7
85.03414	1.1
86.03210	0.8
87.04453	1.6
88.40247	0.7
91.03971	1.0
91.05428	0.7
95.04954	1.9
97.02888	7.2
97.06498	0.7
99.04440	1.6
102.04642	1.2
103.03957	1.6
103.05460	47.1
104.05802	1.6
105.07027	1.2
109.02856	4.3
117.05495	1.3
127.03909	7.2
129.05458	1.3
130.04143	1.2
131.04915	100.0
132.05280	3.0
133.06451	1.1
140.08192	0.6
145.04948	2.7
145.06480	1.6
148.05177	12.2
153.01826	1.6
160.05212	0.8
161.05925	5.1
162.06696	1.0
163.07524	44.2
164.07950	0.8
165.14920	0.8
173.05980	2.1
175.07559	1.8
191.07028	1.4
201.09247	1.6
203.06972	0.7
219.06528	1.5
237.11313	1.2
267.09070	0.7
288.66956	0.8
399.07642	1.3
399.12073	2.2
399.16895	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3257
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
51.18246	1.6
55.05504	13.0
55.15013	1.9
57.07068	12.1
67.05164	2.2
67.05501	29.3
69.07066	31.2
70.18738	1.8
71.04984	1.7
71.08624	10.4
79.05479	16.3
81.07052	45.4
83.04961	2.6
83.08598	9.3
85.10153	5.2
91.05457	24.3
93.07033	33.4
95.04951	6.6
95.08598	100.0
96.08943	1.7
97.06515	3.8
97.10161	5.8
97.96655	2.0
99.08070	2.7
105.06350	3.4
105.07021	45.3
107.04922	3.5
107.07922	2.6
107.08580	28.7
109.06497	4.0
109.10148	39.9
111.11711	3.3
117.07007	6.2
119.08577	27.5
121.06495	8.3
121.10120	20.6
123.08051	9.7
123.11684	13.3
125.09629	2.1
127.11144	4.0
129.07001	8.2
131.08563	17.2
131.83414	1.8
133.10117	28.8
135.08014	5.6
135.11700	12.1
137.05988	8.8
137.09572	4.5
137.13220	8.4
141.06950	2.7
142.07803	2.5
143.08580	9.1
145.10110	20.8
147.07997	5.5
147.11670	41.9
149.09535	5.4
149.13205	8.7
151.14832	3.9
155.08553	8.0
157.10098	15.7
159.08005	4.7
159.11691	15.6
161.09589	14.1
161.13232	7.5
163.11163	5.3
163.14767	4.4
167.07068	2.8
169.10068	4.7
171.11635	8.4
173.09641	17.4
173.13255	5.8
175.11159	17.1
175.14729	5.3
177.12749	1.9
177.16359	3.0
179.17902	3.7
181.10045	2.5
183.11681	6.3
185.13176	8.0
187.11211	3.0
187.14781	5.0
187.59149	1.7
189.12616	2.8
189.16316	4.2
191.10579	2.1
191.17940	2.7
195.11646	4.5
197.13229	6.6
199.14816	5.4
201.12730	1.9
201.16336	5.4
203.14215	4.1
203.17943	5.3
205.19438	4.3
209.13214	6.7
211.07574	1.7
211.14772	7.6
213.12531	2.2
213.16345	4.1
215.14238	5.8
217.15776	2.6
219.20930	2.3
221.66940	1.8
225.16273	5.1
227.14188	2.2
227.17857	4.2
229.15727	4.8
229.19475	2.9
231.21107	2.4
233.15367	2.6
237.16376	9.0
239.17908	3.7
241.15799	2.3
241.19530	5.4
243.17365	5.1
245.18848	2.4
245.22731	2.5
247.16965	2.3
251.17900	11.0
252.18561	3.9
253.19482	4.4
255.17451	14.2
257.18890	4.7
257.22507	2.2
259.24237	9.8
261.18381	3.3
269.18964	32.5
269.22046	3.2
271.20480	5.6
273.18323	7.5
274.97342	2.4
281.22653	2.8
287.20053	36.2
287.23380	4.4
297.22018	2.3
299.23685	3.3
307.09442	2.1
307.24170	3.6
325.25137	5.5
363.30380	16.1
381.31464	70.6
382.31772	8.1
399.16116	8.0
399.27124	19.1
399.32413	95.9
400.32776	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	399.3258
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
52.11549	3.6
55.01874	3.4
55.05513	16.6
55.80858	3.6
57.07063	9.9
59.04941	3.1
65.03925	4.1
67.05491	33.1
69.07056	27.3
69.84879	4.2
69.85214	8.2
71.08612	10.3
79.05479	21.9
81.06628	4.1
81.07056	52.5
83.08613	8.1
85.10163	6.2
91.05476	25.0
93.07041	30.9
95.04952	4.8
95.08013	6.4
95.08598	84.8
96.08931	3.2
97.06512	3.7
97.10138	3.5
98.23216	9.6
98.97626	7.6
99.08067	4.2
99.19820	3.9
100.23934	3.0
105.07014	45.7
107.04943	3.7
107.08587	36.8
109.06508	5.2
109.10146	52.1
117.07024	6.0
119.08572	26.3
121.06499	8.5
121.10145	24.4
123.08038	7.7
123.11677	12.8
129.05481	3.5
130.84737	3.4
131.08563	14.6
133.10165	20.6
135.08067	7.1
135.11673	14.9
137.05940	9.4
137.09659	5.9
137.13234	10.1
137.67499	3.1
143.08543	7.8
145.10078	21.6
147.06506	3.4
147.08032	8.1
147.11684	32.7
149.09647	4.3
149.13286	8.1
155.08571	8.7
157.10115	18.2
159.11658	16.2
161.09596	13.8
161.13211	12.9
163.11208	5.2
167.07024	5.0
169.10127	4.5
171.08035	3.8
171.11681	10.3
173.09573	11.1
173.13246	8.1
175.11148	22.5
175.14801	7.5
183.11661	6.1
185.13252	8.7
187.11214	6.0
187.14890	8.4
189.12643	4.2
197.13170	5.9
199.14775	9.9
201.16434	6.5
203.17972	3.6
211.14748	7.5
213.16295	5.6
215.14267	4.2
220.70151	3.2
227.17870	4.4
229.15939	5.2
237.16376	5.9
241.19402	7.0
251.17961	4.3
253.19481	7.6
255.17476	9.3
257.19055	3.5
259.24222	7.7
261.18491	6.1
262.65811	3.8
269.19006	19.5
270.19193	4.2
273.18457	3.7
274.97369	4.8
287.19998	23.7
287.23083	6.7
292.98242	3.6
307.24228	4.4
325.25305	5.8
363.30392	14.0
381.26953	4.6
381.31488	58.6
382.31522	5.7
399.17532	16.3
399.32483	100.0
400.32751	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.4
57.03438	22.3
59.04991	5.8
61.30375	2.8
69.03065	4.8
69.03426	76.4
69.51076	3.9
69.51405	11.1
73.02919	3.2
75.40902	2.8
79.05495	2.8
81.03436	5.3
85.02900	100.0
87.04469	50.6
91.03940	4.1
97.02884	65.5
98.03262	2.8
98.22707	5.5
99.04431	5.4
100.07598	6.1
100.11228	14.6
103.03999	4.0
109.02873	5.9
111.04447	7.2
115.03928	83.2
121.10129	2.9
127.03922	22.5
128.07056	5.0
131.99304	2.6
133.03951	5.0
133.04953	93.9
145.04929	43.4
150.07649	7.9
163.06052	17.2
182.15384	9.6
183.15797	13.5
210.14845	14.5
211.15215	21.0
223.05931	3.5
229.16388	3.4
256.17346	4.6
259.08170	4.1
272.50851	2.9
277.08939	3.2
338.21527	11.1
355.24164	9.0
383.23569	9.3
400.16544	6.3
400.26410	3.6
401.18039	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	9.7
66.91512	1.5
69.52448	6.5
70.49232	1.7
71.15425	1.5
96.25379	1.6
98.23143	5.5
98.97572	100.0
114.06232	1.5
116.98615	61.6
134.99649	18.9
153.00655	2.2
171.27063	1.4
209.55240	1.6
216.98775	1.8
219.02246	1.6
232.96437	3.6
235.00026	2.0
240.98778	4.4
256.96652	2.8
258.99738	58.4
259.99942	5.3
260.41571	1.5
260.99841	1.8
261.03003	2.6
274.97531	28.2
275.97879	4.6
276.97675	6.5
277.00790	73.0
277.35138	1.6
278.01004	5.5
279.00745	2.8
282.99890	7.6
284.00281	1.6
284.99667	2.5
286.00073	2.0
292.98489	14.1
294.98563	2.4
300.97852	3.0
301.00998	11.1
302.01123	3.0
303.00861	5.2
316.98962	2.4
382.99802	4.7
401.00995	21.1
402.01184	5.0
418.97687	2.7
419.02423	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	401.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96282	1.8
56.96555	28.3
57.56887	0.7
60.33912	0.7
64.30460	0.8
70.01514	2.2
84.96021	12.1
85.02905	0.8
98.97570	92.7
110.97552	33.7
112.99133	4.5
116.98608	45.8
122.20695	0.8
124.99117	1.7
126.97059	1.1
128.97624	1.8
128.98590	36.5
131.00165	7.1
134.99640	13.5
135.00591	1.1
140.98593	3.4
143.00133	7.0
144.98099	2.5
146.99641	18.6
149.01239	3.1
152.98645	1.0
153.00731	1.3
158.99626	7.8
161.01208	10.4
162.99165	1.5
163.03897	1.1
163.97812	1.8
165.00740	2.0
170.99606	8.6
172.94371	2.4
177.00714	8.8
179.00298	1.3
179.02336	2.0
181.98830	11.2
189.00658	9.9
190.95435	1.7
193.01794	1.1
194.99614	1.5
197.01250	2.4
199.99895	19.3
201.00620	6.3
202.76114	0.9
207.01743	1.6
210.99150	0.9
211.02841	2.4
213.00737	1.7
215.02240	5.5
218.01028	3.9
219.01730	55.4
227.02115	1.5
229.00282	1.7
232.96417	2.0
233.03339	2.0
237.02783	100.0
238.03172	2.9
239.02409	2.9
243.01784	1.2
244.99794	1.0
251.02354	1.0
255.01520	1.6
255.03970	7.0
256.96564	2.3
257.03299	7.1
259.99915	5.7
260.04584	1.1
260.95987	1.8
269.03387	3.2
274.97482	10.2
275.02213	2.5
275.97913	1.2
278.00961	5.6
278.97012	1.0
281.03345	3.9
283.04892	0.9
287.04312	1.1
292.98438	6.4
293.03412	3.9
299.04398	2.9
311.04218	1.1
323.04462	2.6
326.03036	4.1
332.96484	1.0
341.05383	14.7
344.04114	2.9
359.06454	47.4
360.06992	2.4
377.07590	2.9
401.07568	49.4
401.13098	4.5
402.08029	3.4
419.08759	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16649	0.4
58.60996	0.4
64.14367	0.6
69.03413	1.1
70.06590	2.5
71.42483	0.4
78.03474	0.6
81.03402	0.6
85.02891	1.1
88.02193	0.8
94.49806	0.4
97.02869	0.6
99.05531	1.0
103.02193	0.5
109.02876	0.6
110.10306	0.5
119.05017	0.5
120.08087	0.6
124.03964	1.7
132.04753	0.8
142.08630	1.1
153.01831	1.4
153.05228	1.8
154.04993	0.8
156.49602	0.5
159.05867	1.2
177.05405	1.2
181.03444	0.6
181.04906	4.1
203.05319	0.5
227.05225	1.3
239.08876	1.0
239.14455	0.7
271.04404	0.5
303.13696	5.7
305.06610	0.5
315.10483	11.9
339.10428	1.4
357.11502	26.4
358.11725	1.2
383.14780	0.6
401.10419	100.0
401.18213	4.6
402.10849	5.0
402.15421	0.6
406.90454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11817	5.8
53.76145	4.9
57.10879	5.5
60.57315	6.1
61.10460	4.8
70.06596	6.2
74.10776	5.2
85.05576	4.6
86.09721	8.2
98.23077	5.1
98.53902	5.8
98.97593	8.8
116.98609	6.1
117.80993	5.3
119.45859	5.7
125.01659	5.1
136.06152	5.3
137.05951	9.2
157.63881	5.6
213.43993	5.2
229.50751	5.5
236.38705	6.2
247.04839	6.6
359.99100	7.3
401.11993	100.0
401.28555	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	401.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35952	4.7
55.73540	4.4
56.96558	11.3
62.73389	4.3
65.14201	5.2
69.93585	14.9
70.06589	7.1
79.63744	5.0
81.24086	4.4
86.09716	9.4
131.44890	4.5
153.01802	23.4
153.57671	4.7
167.07080	5.8
180.83879	5.5
207.03264	6.9
213.04254	11.6
225.04286	12.9
239.08992	12.2
239.12730	5.3
243.05374	58.7
261.06454	30.3
271.11896	6.6
320.82526	4.6
330.10779	6.4
369.08725	12.2
383.14963	5.7
387.09546	29.4
401.12524	100.0
401.17911	72.3
401.28372	9.6
402.12357	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	401.1569
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
52.41327	0.3
52.63572	0.3
63.07495	0.4
64.47895	0.3
70.93307	0.6
84.32964	0.4
95.08634	0.4
101.34969	0.3
130.59090	0.3
158.90616	0.4
162.14156	0.4
167.07007	1.3
189.05202	0.5
204.07570	5.1
217.08649	0.5
228.53668	0.4
248.02142	0.4
282.08817	0.4
322.99307	0.4
330.10614	0.5
343.11661	0.6
351.12003	0.4
383.14816	1.0
401.15646	100.0
402.16046	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	401.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67423	0.5
77.97015	0.5
80.81756	0.4
82.07819	0.4
82.54333	0.5
85.27647	0.3
133.25330	0.4
143.23637	0.3
146.74609	0.4
159.04146	0.8
189.05171	0.5
204.07576	4.4
322.98474	0.4
327.12177	0.5
353.13449	0.5
401.15656	100.0
402.16019	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
51.25394	0.9
53.03933	1.7
53.06798	0.9
55.01862	3.2
55.05517	1.3
65.03942	3.6
67.05494	3.0
68.99750	1.3
71.50542	1.0
74.31977	1.0
77.03919	1.6
78.04707	4.2
79.05489	18.1
81.03419	1.6
81.07047	3.0
82.04174	1.4
85.02895	2.6
91.05477	11.8
93.03393	2.5
93.07053	1.2
94.04176	1.5
95.04966	15.0
95.08573	1.5
102.04665	1.7
103.05454	11.4
105.03379	1.9
105.04517	3.2
105.07019	4.9
106.04158	7.5
107.04946	34.9
109.02856	2.0
109.06507	3.2
110.03665	2.5
111.04444	2.1
115.05460	8.7
116.06236	2.4
117.07041	6.4
118.04144	5.7
119.04934	2.5
119.24659	1.2
120.05698	1.3
121.02757	1.2
121.06487	4.7
122.03625	2.0
123.04424	12.6
124.05202	7.0
125.05977	9.2
128.06165	5.1
129.07010	6.9
131.04924	9.7
131.08586	10.4
132.05682	2.1
133.02841	1.6
133.06480	6.2
135.04430	2.9
135.08015	2.1
137.02248	1.4
137.05954	5.9
138.03162	1.4
139.07523	2.1
141.06952	7.6
143.04930	1.6
144.05708	8.0
145.06502	8.0
146.03629	1.9
147.04390	4.5
147.08038	2.0
148.05179	3.4
149.02405	1.2
149.05954	3.6
151.03897	16.5
151.07542	3.1
152.04648	5.3
152.06053	1.7
153.05461	14.5
153.06865	2.5
155.04921	1.8
156.05679	17.6
157.06491	3.4
158.07236	2.9
159.04396	3.3
159.08040	16.9
161.05981	9.4
163.03925	4.6
163.07541	5.6
165.05577	2.1
165.06981	3.9
167.07028	100.0
168.07333	2.6
169.06425	2.7
169.07668	2.4
170.07259	1.8
171.04356	1.2
171.06528	1.5
171.07956	1.0
172.05214	2.3
173.05991	8.4
174.06728	2.5
175.03897	1.9
175.07544	4.6
176.04611	1.9
177.05455	4.1
178.07779	1.4
179.07008	2.9
179.08546	1.9
180.05588	1.5
181.04956	20.1
181.06450	3.2
181.08551	3.2
182.05373	1.3
182.07283	2.3
183.06586	1.3
183.08052	1.8
184.05206	4.4
185.05792	1.4
186.06796	3.1
187.07506	9.8
189.05437	5.5
189.06992	2.1
190.06171	3.3
190.07767	2.0
191.07016	16.8
191.08604	1.6
193.06473	3.4
193.08617	3.8
194.07269	1.2
195.06508	4.3
195.07973	2.0
196.05156	1.5
197.05975	1.9
199.07578	2.1
201.05481	3.8
201.08983	1.4
202.06218	7.8
202.07822	2.1
203.07010	4.3
203.08600	3.0
204.07779	2.0
205.04845	1.8
205.06613	3.4
205.08583	16.1
207.06390	7.2
207.08235	2.2
207.10014	2.2
208.05154	14.5
208.06949	2.0
208.08743	2.5
209.05965	1.9
209.07967	2.3
210.06764	5.0
211.07541	4.0
212.04742	1.4
212.08249	1.3
213.05383	1.5
215.06905	3.0
215.08780	2.4
217.08574	42.8
218.07234	3.5
218.09067	1.9
219.08006	9.3
219.10162	4.9
220.05090	1.4
220.08789	3.2
221.06029	7.1
222.06514	2.0
223.07375	1.7
224.08223	1.2
225.05508	1.3
225.09068	2.9
226.06261	2.1
227.06960	3.6
229.08577	4.6
230.07288	1.8
231.07999	6.8
231.10181	2.8
232.08792	3.2
233.05995	2.2
233.07803	1.8
233.09677	3.1
234.06715	2.4
235.07478	4.7
236.04681	6.5
236.08319	3.7
237.05527	1.2
237.09003	2.1
238.06232	3.8
239.07013	3.2
240.04213	2.3
240.07597	1.1
241.08678	3.0
244.08861	1.4
245.09599	2.7
246.06709	2.8
247.07462	9.8
247.09673	19.9
248.08308	11.1
249.05438	3.3
249.09052	3.8
250.06178	2.3
251.06970	3.0
251.10753	2.6
252.07858	2.1
253.08595	4.6
254.05688	5.5
255.06427	2.8
256.07324	2.8
257.04300	1.3
257.08136	1.9
259.07477	3.5
260.08340	2.6
261.09143	3.8
262.06445	1.2
262.09863	4.4
263.07074	4.3
263.10538	7.3
264.04153	1.4
264.07788	6.8
264.81058	1.1
265.04895	1.0
265.05862	0.9
265.08502	7.2
266.05820	2.4
266.09073	1.9
267.06436	6.9
268.03714	1.7
268.07025	1.7
269.08023	15.2
270.08649	2.4
271.06409	2.1
271.09558	11.2
272.06839	3.1
275.06906	5.2
276.07703	9.8
277.04810	1.1
277.08575	5.7
278.05698	1.5
278.08954	1.3
279.06979	1.4
279.10126	7.5
280.07300	1.7
280.10748	1.5
281.07974	5.7
281.11441	1.2
282.05511	1.8
282.08856	13.2
283.09396	3.6
284.06906	1.6
285.07996	1.5
285.11255	2.9
287.09296	1.7
289.08511	2.5
290.09308	4.8
291.06729	1.8
291.10098	13.7
292.07263	3.4
292.10736	2.0
293.08096	7.9
294.08783	2.0
295.09512	2.2
296.10345	1.7
299.09280	5.1
300.06427	1.7
300.09711	2.0
301.07089	3.1
304.07135	1.7
305.08154	3.9
305.11566	1.4
307.06226	2.3
307.09521	10.0
308.06848	1.8
308.10248	6.4
309.07605	1.6
309.10779	1.3
310.08194	4.1
311.08994	3.7
311.12723	2.7
313.10571	4.3
315.08588	50.1
316.09274	5.4
318.08820	1.6
319.09604	9.8
320.10260	2.5
321.07574	4.9
321.11005	2.2
322.08197	2.0
322.11865	2.1
323.09070	1.9
323.12753	16.2
324.09875	1.3
325.10739	2.4
328.09460	4.3
329.10202	1.8
330.10944	58.2
331.11575	14.7
336.09802	4.9
337.10556	6.7
338.07529	1.4
338.11337	1.7
339.08521	2.4
339.12177	9.3
341.10086	4.7
343.11691	15.2
344.11862	1.4
345.13251	7.8
351.08215	2.2
351.12244	25.5
352.12897	4.3
353.10211	5.5
356.12408	4.1
368.12576	8.1
369.13129	4.8
371.14850	5.4
373.12762	18.0
373.16843	1.2
383.14853	53.5
384.15149	4.2
401.11472	16.3
401.16043	10.4
402.12000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
58.79736	0.6
69.07609	0.5
69.08116	0.5
69.78348	1.5
69.78693	1.2
70.22042	0.5
77.03924	0.7
79.05515	0.9
91.05467	2.2
94.69564	0.6
95.04962	1.9
98.23421	0.8
103.05459	63.7
104.05806	1.4
105.07012	4.2
107.04891	0.9
110.66967	0.6
115.05450	1.3
119.04923	2.8
130.42842	0.5
131.04916	100.0
132.05257	2.7
133.06476	2.4
137.05977	1.0
147.04405	5.1
161.05948	6.1
163.07529	19.4
179.07001	2.9
291.10034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41956	3.7
53.94987	3.5
55.01852	5.3
58.96129	3.8
65.03927	8.0
67.05517	5.1
69.94448	10.1
78.04698	9.8
79.05470	22.8
81.07057	10.2
83.04967	4.2
85.02890	5.9
89.03932	3.9
89.53999	3.8
91.05487	19.0
93.07040	6.3
95.04971	20.9
103.05473	16.4
105.04544	4.7
105.07010	10.7
106.04144	12.0
107.04968	37.6
110.03693	4.6
111.04462	5.5
114.32398	3.7
115.05466	9.4
117.07011	5.5
118.04147	10.1
119.04929	8.2
121.06531	5.7
123.04414	20.9
124.05203	12.6
125.05992	17.7
128.06180	4.8
129.06985	11.4
131.04955	11.6
131.08574	12.2
133.06487	8.5
133.21645	4.7
137.06032	7.5
141.06961	5.0
143.04956	3.8
144.05698	12.6
145.06493	11.2
147.04373	7.8
151.03900	33.4
151.07480	5.1
152.04669	4.3
153.05457	24.9
153.06573	3.6
156.05707	25.4
159.08064	17.9
161.05975	13.0
163.03860	4.7
163.07426	6.7
165.05501	5.6
165.06958	5.8
167.07014	100.0
173.05960	13.1
174.06725	8.6
177.05420	8.9
179.07060	6.1
181.04964	34.0
181.06326	5.7
181.08617	5.3
182.07242	4.9
183.07935	4.1
184.05119	8.2
187.07559	9.6
189.05446	8.4
191.07011	13.4
193.08575	7.2
195.06564	6.0
202.06204	12.4
205.06763	6.4
205.08598	30.3
208.05208	18.0
210.06703	5.7
217.08536	46.4
219.08029	11.7
219.10068	7.7
220.08791	8.4
221.06007	10.0
225.08986	5.5
229.08650	9.5
231.08105	10.0
235.07590	5.4
236.04684	9.1
247.07480	13.3
247.09671	16.0
248.08324	18.4
249.05298	5.5
253.08684	8.9
254.05695	6.4
255.06512	4.7
261.08957	4.7
263.10574	8.1
264.07678	8.3
265.08569	11.6
266.05728	6.4
267.06458	4.9
269.08047	22.2
271.09674	10.3
275.06985	9.9
276.07709	9.8
277.08502	7.6
279.10004	6.6
281.08179	7.9
282.08862	11.5
291.10049	15.0
292.07306	5.6
293.08240	7.6
295.09695	10.0
301.07370	4.6
305.08310	5.8
307.09534	9.8
308.10345	8.4
310.08154	6.2
313.10687	9.1
315.08517	51.2
316.09189	5.4
319.09613	8.9
321.07626	5.6
322.08401	5.9
323.12766	12.2
330.10928	53.9
331.11520	12.4
337.10672	6.4
339.11978	7.4
343.11661	18.4
345.13181	10.3
351.12280	23.9
368.12399	5.6
369.12601	5.2
373.12598	27.2
383.14920	39.8
384.14920	5.8
401.11600	21.3
401.16190	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33062	1.6
62.14812	1.4
65.03925	1.9
71.42742	1.8
79.05489	11.5
81.03416	1.9
81.07037	3.0
85.02915	1.8
91.05470	6.5
93.07017	1.9
95.04958	3.7
97.66729	1.6
105.04480	3.0
107.04938	32.9
115.05462	3.8
116.06219	2.2
121.06480	2.6
122.03632	2.0
123.04417	5.2
124.05206	4.6
125.05969	2.9
128.06192	3.5
129.06979	8.5
131.08549	13.1
133.06500	2.1
135.04407	1.8
137.05995	2.0
141.06990	3.9
144.05696	7.7
145.06456	5.3
146.03656	1.8
152.04663	3.5
153.01852	4.4
153.05484	2.0
156.05669	14.9
157.06413	4.4
158.07234	1.9
159.08038	17.8
159.41615	1.7
161.06018	3.2
163.03865	4.4
164.33075	1.7
167.07021	100.0
168.07391	2.3
169.06470	3.0
170.07246	2.1
172.05214	2.8
172.79414	1.5
173.06024	5.7
175.07449	2.3
179.06973	3.2
181.04941	3.3
181.08543	4.0
183.06560	1.8
184.05183	5.4
186.06729	4.0
187.07550	13.3
190.06242	2.4
190.07954	1.6
195.06543	2.8
197.05783	1.6
202.06216	6.4
202.07861	3.5
203.08508	3.5
204.07793	2.9
205.06636	2.6
205.08522	19.4
205.10175	2.2
207.06389	9.9
207.08246	2.2
208.05150	8.2
209.06047	2.2
209.08052	2.3
210.06728	4.0
211.07573	3.4
211.21036	1.5
215.06914	3.0
215.08740	2.0
217.08560	55.5
218.07234	4.5
218.09071	2.6
219.08041	8.9
219.10173	7.1
220.08742	3.2
221.06039	4.3
222.06581	1.8
229.08614	4.4
231.08028	7.9
231.10069	3.3
233.09586	5.0
234.06619	2.3
235.07504	5.1
235.11201	2.5
236.04764	3.1
236.08191	2.9
237.09108	1.8
238.06107	1.7
245.09660	2.6
246.06676	2.8
247.07451	9.6
247.09683	31.0
248.08321	14.9
249.08948	2.9
251.07014	1.9
251.10661	3.5
254.05803	2.6
255.06586	3.0
256.07291	2.5
259.07471	3.2
260.08310	1.9
261.09076	5.0
262.09903	5.2
263.07196	2.8
263.10672	11.1
264.07767	5.7
265.08423	4.0
266.05875	3.3
267.06329	2.7
269.08081	9.8
271.09604	13.6
275.07004	5.6
276.07849	5.5
277.08487	4.6
278.00879	1.6
278.09317	2.3
279.10205	10.4
281.08093	2.3
281.11584	2.7
282.08807	6.8
284.06821	2.1
287.09018	2.1
290.09366	6.0
291.10114	14.8
292.07343	3.1
293.07996	10.2
295.09552	1.9
299.09048	8.9
301.06979	3.2
305.08063	2.4
307.09515	11.3
308.10358	7.3
309.07755	2.1
309.11090	2.3
310.08304	4.7
311.12750	4.8
315.08603	35.7
316.09149	3.6
318.08786	2.1
319.09674	11.0
320.10367	2.6
321.07498	4.0
321.10947	1.8
322.08206	2.5
323.09113	2.2
323.12582	15.6
324.13248	2.0
325.10492	2.5
328.09378	4.2
330.10965	41.3
331.11615	18.1
335.08691	1.7
336.09857	6.4
337.10696	7.6
339.12064	7.5
341.13821	2.6
343.11667	15.4
351.12231	26.6
352.12622	3.6
353.10175	8.5
356.12552	2.7
358.14111	4.9
368.12564	8.9
369.13174	4.3
371.14792	4.1
383.14871	55.0
383.19598	2.2
384.15179	4.0
401.15955	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80712	2.2
67.05476	3.8
69.23949	16.3
78.04708	2.9
79.05482	20.2
90.99515	2.6
91.05466	13.9
93.07024	3.0
95.04952	7.2
95.08592	3.1
96.01600	2.4
98.22724	6.9
98.23417	7.1
105.07037	4.6
105.14190	2.6
107.04947	42.2
109.06454	3.4
115.05481	5.3
116.06230	3.9
119.08613	2.7
123.04388	6.7
124.05183	6.4
125.05984	5.0
128.06187	5.7
129.07005	7.6
131.08554	12.0
132.05707	3.2
133.06462	3.2
136.05215	2.4
141.06995	6.2
143.08488	4.2
144.05716	4.9
145.06467	6.4
152.04724	3.9
153.01823	7.1
153.05473	2.7
156.05659	22.1
158.07253	4.0
159.08044	14.5
163.03896	5.3
167.07021	100.0
169.06425	3.2
172.05208	3.4
173.05980	3.5
174.06802	3.9
175.07561	3.2
179.07098	3.2
181.04881	4.9
181.06499	3.4
181.08626	5.1
184.05157	5.0
187.07527	15.3
190.06313	4.2
191.08546	4.4
195.06505	3.2
202.06192	7.9
204.07716	2.9
205.08527	19.1
207.06525	9.0
207.10057	3.9
208.05144	12.8
208.08800	3.4
211.07600	4.6
217.08571	65.9
217.10486	4.9
218.07173	4.2
219.08017	14.0
219.10159	7.9
220.08797	7.8
221.05957	7.4
221.09669	2.9
222.06726	3.1
229.08667	5.6
231.08070	8.0
231.10220	5.7
233.09570	6.4
234.06622	3.6
235.07478	4.0
236.04710	4.4
236.08295	7.8
237.08994	3.7
239.06906	3.3
245.09763	3.1
247.07489	13.1
247.09703	24.5
248.08211	12.3
249.09094	6.4
250.06232	3.1
253.08456	3.6
254.05682	3.9
255.06525	4.7
256.07242	2.9
261.09076	6.6
262.06357	3.7
262.09894	7.3
263.07040	7.4
263.10611	10.9
264.07849	10.9
265.08585	10.6
266.05811	3.5
267.06580	4.1
269.08112	15.9
271.09662	11.5
275.07022	5.1
276.07806	9.4
277.08603	7.4
279.06812	2.6
279.10147	9.2
281.08038	5.8
282.05762	2.5
282.08887	9.3
283.06299	2.9
283.09525	3.6
284.06668	5.1
290.09406	7.4
291.10095	17.5
292.07339	4.0
293.08136	12.4
293.11169	3.1
294.08493	2.9
297.11182	4.4
298.08176	3.1
299.09055	15.7
300.65393	2.7
304.07291	4.0
305.11414	3.6
307.06342	2.5
307.09460	14.0
308.10236	7.7
309.11285	3.1
310.08319	6.1
311.09247	5.0
311.12610	3.5
313.10706	8.2
315.08578	37.8
316.09027	2.9
318.09134	2.7
319.09427	4.0
321.07568	3.7
322.08609	3.8
323.12604	18.1
324.13577	3.2
325.10660	6.9
328.09378	3.4
330.10971	41.1
331.11664	19.0
336.09927	7.2
337.10727	7.4
339.12167	11.4
343.11789	15.8
351.12173	27.4
352.13397	4.4
353.10126	4.6
354.10886	3.0
356.12521	4.7
358.14063	25.5
359.73444	3.5
368.12567	11.4
369.13214	5.5
370.72427	5.1
371.14828	4.2
383.14792	64.3
384.15149	7.8
401.16119	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38287	0.3
66.75552	0.3
69.59045	1.2
79.05506	0.3
85.02931	0.4
87.04490	0.3
87.62543	0.3
90.41519	0.3
95.04986	0.4
97.02940	0.4
98.22720	0.4
127.03943	0.5
128.39442	0.3
133.07654	0.4
153.01849	0.8
161.05968	0.8
163.07401	0.4
167.07097	0.3
175.08704	0.7
239.12599	2.6
357.15149	0.9
383.14828	0.5
401.17819	100.0
402.18146	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	401.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.7
81.03440	0.2
85.02903	1.5
87.00834	0.6
91.05479	0.3
97.02899	0.7
100.37845	0.3
105.01889	0.7
109.02864	0.3
119.23390	0.2
127.03905	1.1
132.44478	0.2
144.38428	0.3
145.04945	0.4
151.11183	0.2
153.01830	0.3
218.12833	0.2
239.12480	1.7
259.19751	0.2
285.53342	0.3
289.03497	1.1
315.00897	0.3
315.14304	0.3
357.15027	1.4
401.17825	100.0
402.18149	5.3
405.58975	0.3
406.74521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05506	16.6
57.07066	4.0
62.10909	2.8
65.03938	3.3
67.05493	15.0
69.07062	13.2
69.73994	6.1
69.74371	5.3
70.06595	3.7
71.05000	8.6
77.03903	3.1
79.05482	28.1
81.07043	41.1
83.08624	2.8
85.06528	3.2
88.07623	5.7
91.05470	55.2
93.07034	59.4
95.04967	15.2
95.08601	25.5
98.22754	6.3
98.23367	6.5
103.05471	4.0
105.03387	4.0
105.07018	100.0
107.08592	43.4
109.06506	73.8
109.10127	19.3
111.08080	6.9
115.05460	8.4
117.07002	29.1
119.08567	81.5
121.10139	20.4
123.08057	5.1
128.06223	13.6
129.06973	21.6
130.07742	10.0
131.08560	66.4
133.10109	93.0
134.10440	3.8
135.08041	15.4
135.11676	24.8
137.09607	8.9
141.06993	8.1
141.32112	2.6
142.07768	36.2
143.08560	47.5
144.09320	10.4
145.10114	92.6
145.27315	2.9
146.10512	3.1
147.08046	5.3
147.11667	19.3
149.09598	5.2
154.07730	4.2
155.08514	20.9
156.09364	21.4
157.10114	66.7
158.10899	18.0
159.08051	4.7
159.11688	36.9
161.09641	6.6
161.13194	3.8
165.06995	6.8
166.07840	3.0
167.08543	13.9
168.09343	6.3
169.10098	23.9
170.10928	8.4
171.11664	35.5
172.12468	3.5
173.13232	44.8
175.10997	3.3
175.14841	18.0
179.08569	14.0
180.09395	7.7
181.10086	16.2
182.10837	11.0
183.11652	27.8
184.12431	4.2
185.13231	24.4
187.14809	46.9
192.09264	4.0
193.10133	12.7
194.10883	14.3
195.11670	16.3
196.12402	7.2
197.13255	21.4
199.14792	22.0
201.12668	8.6
205.10172	3.9
206.10881	8.4
207.11610	17.2
208.12416	4.6
208.68364	3.3
209.13271	29.6
211.14804	10.8
213.12737	5.4
213.16324	3.9
215.14374	3.0
219.11674	4.8
220.12503	5.0
221.13268	18.6
223.14755	8.4
225.16501	5.8
231.11797	4.1
232.12263	3.9
233.13235	5.0
235.14804	11.1
237.16333	8.0
239.17873	4.9
247.14915	4.4
248.15631	4.1
249.16357	4.7
251.17822	6.8
259.14719	4.1
261.16235	3.3
263.17899	5.9
265.19516	11.4
275.17996	6.1
277.19473	6.9
301.19482	3.3
302.56195	2.7
321.00977	3.7
321.90161	3.1
338.34357	3.3
343.24362	5.9
383.27234	4.7
401.28275	40.9
401.38202	11.0
402.28558	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	401.9501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39334	1.2
55.81955	1.1
56.42458	1.1
56.96564	27.5
59.55570	1.0
70.02102	2.3
71.95230	2.0
94.38741	1.0
97.02906	1.5
97.86872	1.0
98.97575	91.3
99.97916	2.8
100.97153	1.3
101.97192	1.2
102.96887	5.9
116.98615	59.4
117.98949	3.0
119.01891	2.8
120.97916	2.4
128.98628	1.4
134.99643	28.6
135.99979	1.2
153.00711	3.2
156.96533	1.5
174.97606	7.2
177.00931	2.8
178.01070	1.3
192.98767	4.0
194.91180	5.9
212.92259	19.1
213.92339	2.2
214.95633	2.5
219.01950	5.3
230.93332	15.9
232.96643	7.4
236.92268	5.2
240.98709	1.2
243.02156	2.1
245.92029	1.2
248.94360	5.0
250.97733	4.0
254.93314	36.2
255.93564	1.8
256.96606	16.4
258.99716	21.0
259.99963	8.0
260.95688	1.6
260.99814	3.2
261.03027	15.4
262.03210	2.8
263.02881	1.2
270.91132	2.5
272.94342	66.1
273.94534	4.9
274.94626	2.5
274.97668	31.2
275.97824	5.2
276.97607	3.4
277.00781	23.9
277.97449	1.9
278.01028	8.0
278.96869	6.0
279.00787	3.8
279.98111	1.2
280.01001	1.2
280.96875	1.4
284.46710	1.2
288.92212	4.6
290.92288	1.6
290.95395	27.8
291.95627	1.3
292.98721	8.0
293.98883	2.5
294.92303	2.0
294.98541	1.9
296.97736	3.4
298.97739	32.8
299.97897	3.8
306.93167	1.6
308.96310	1.5
312.93036	3.8
315.96399	2.6
316.98813	48.7
317.98914	5.1
330.93814	3.3
336.93149	2.9
339.95978	1.3
354.94177	12.5
355.94238	2.2
357.96942	5.1
358.96600	2.4
360.92331	10.9
367.43475	1.7
370.91403	2.3
372.94751	7.2
378.93253	9.3
384.88245	1.2
385.39020	2.4
385.88828	2.4
387.93692	4.8
388.43387	1.7
392.88397	1.3
393.88287	3.0
394.37457	1.2
395.91318	2.2
396.41101	4.5
396.94614	100.0
397.40881	1.3
397.94608	14.2
398.94473	1.5
412.92084	2.3
414.95541	85.5
415.95761	9.0
419.91644	3.2
420.91055	1.4
426.86826	2.5
428.90698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	1.1
59.10207	0.6
60.71680	0.5
68.99794	1.4
69.40600	2.2
70.06588	100.0
71.06925	1.3
71.82476	0.6
72.08155	1.2
73.85676	0.6
79.05512	0.7
81.07048	0.9
83.85777	0.7
86.09701	1.8
91.05510	1.2
92.87191	0.6
93.07014	0.8
98.22722	0.7
103.05490	0.7
107.04948	1.9
121.06495	1.9
131.04990	0.6
135.04425	3.9
139.03888	12.4
147.51256	0.6
149.05981	6.1
159.04398	1.0
163.03871	6.5
165.05499	1.3
177.05457	59.4
178.05794	2.2
181.04948	2.7
187.50883	0.6
207.06577	1.1
234.11255	2.5
241.10573	0.7
316.10806	0.9
327.08466	0.8
345.09659	11.8
346.10065	1.2
358.11844	1.6
402.10776	5.1
402.15427	36.3
403.15735	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00186	9.2
55.05506	32.2
55.60473	9.6
56.78912	9.2
67.05493	36.8
69.07055	26.4
70.41830	9.5
79.05487	40.5
81.07042	63.7
83.08631	12.6
91.05470	27.9
93.07016	25.3
95.04955	15.5
95.08591	36.4
98.22705	32.1
105.07030	30.9
107.08624	14.4
109.06496	25.8
109.10182	15.5
114.83911	10.8
115.15489	10.4
119.08578	29.2
121.10105	21.4
123.08071	13.8
124.86942	10.7
128.49551	9.9
129.06966	12.6
131.08401	13.5
133.10197	14.6
143.08485	11.8
145.10133	13.1
147.11697	13.5
149.09676	15.7
154.31537	10.6
160.12215	9.5
162.52982	9.2
176.53314	9.7
186.85095	9.9
200.46339	9.7
256.20035	9.6
275.20035	47.7
327.08459	13.4
349.23624	33.5
367.24768	37.5
373.09128	73.1
375.00595	11.5
402.32294	12.8
403.13712	100.0
403.20758	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10843	0.6
64.63739	0.5
66.92906	0.6
70.06583	0.8
70.76052	1.2
86.09711	1.5
87.55494	0.6
91.05477	3.0
98.23129	0.8
133.06505	0.8
137.05876	0.9
151.03883	0.8
153.05435	1.2
155.06787	3.0
167.07051	1.0
185.04288	0.5
193.08572	1.5
232.52020	0.5
244.07870	2.7
253.01851	1.0
271.04269	1.8
288.59085	0.6
299.11334	0.6
311.09204	0.6
315.03436	0.8
317.12045	10.2
341.11948	2.2
343.02875	2.0
359.13092	53.8
360.13434	2.6
361.03955	1.8
367.02972	0.6
371.11069	0.7
403.12015	100.0
404.12424	6.8
414.16730	0.7
421.15009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
69.03416	3.0
70.56030	1.6
75.04424	1.1
84.30254	1.0
85.02882	2.8
87.04449	2.2
91.05476	29.8
97.02876	2.3
115.03952	2.2
123.66898	1.1
127.03910	0.9
133.04936	3.0
137.05952	1.7
155.06779	4.2
193.08571	12.1
211.09689	1.0
245.31729	0.9
271.04181	1.3
317.12024	12.1
359.13104	52.5
360.13409	3.1
403.12030	100.0
404.12256	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	403.1363
Annotation	Nobiletin
Peak:m/z	Relative Intensity
53.97669	0.5
59.04995	0.7
68.30047	0.6
69.54971	0.5
70.33232	0.5
70.46715	0.5
70.47343	0.6
72.08156	0.9
72.63411	0.5
73.20135	0.5
83.24947	0.7
94.23617	0.6
105.07035	0.8
121.06476	0.6
125.55390	0.5
128.23297	0.6
136.17081	0.5
169.51848	0.6
189.05293	0.7
191.03128	1.6
206.05476	27.9
207.06091	2.6
211.09535	0.7
219.06313	0.6
355.11401	0.8
371.14871	0.9
403.13586	100.0
404.13693	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	403.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.9
57.03432	0.8
60.02774	0.3
61.90771	0.3
68.24324	0.3
69.03426	4.2
69.37580	1.5
69.37875	0.3
81.03417	2.7
81.07028	0.3
84.04497	9.3
85.02895	16.6
86.06048	1.4
87.04460	0.5
93.07044	0.4
95.01318	1.5
96.04456	0.5
97.94576	0.3
98.06044	1.1
99.04453	2.4
102.05533	8.8
112.03966	1.1
113.02354	2.9
118.06532	3.9
119.08562	0.4
130.04991	100.0
131.05344	1.4
131.56647	0.3
132.08066	1.3
133.08884	1.1
133.10069	0.4
136.07541	0.4
144.08131	0.5
146.09641	1.2
174.56163	0.3
176.14326	58.4
177.14693	1.9
182.08200	0.4
194.04733	0.3
202.15886	2.8
210.07523	0.9
216.13751	1.6
246.14996	0.3
262.90475	0.3
288.15912	18.1
289.16129	0.9
305.18555	13.7
306.18814	0.7
317.15561	0.5
359.16672	2.0
403.15598	5.0
403.22116	6.8
404.16077	0.4
404.22046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13379	0.3
53.41388	0.3
56.05023	0.6
57.03427	1.0
67.05491	0.7
69.03426	5.9
70.06592	0.3
70.69411	0.6
79.05463	0.6
81.03407	3.0
81.07048	1.0
84.04108	0.2
84.04495	9.5
85.02898	17.3
85.06552	0.5
86.03236	0.3
86.06059	1.4
87.04462	0.9
88.80853	0.3
91.05473	0.4
93.07015	0.6
94.06572	0.3
95.01320	1.7
95.04991	0.4
97.02887	0.6
98.06052	1.5
99.04443	2.6
102.05534	8.7
103.76637	0.3
105.06985	0.6
107.08590	0.4
112.03949	1.4
113.02344	3.6
118.06512	5.1
119.07333	0.4
119.08577	0.5
121.06505	0.4
130.04990	100.0
131.05363	1.6
132.08099	1.1
133.08812	0.3
133.10086	0.8
136.07590	0.5
137.05963	0.4
144.08099	0.3
146.09648	1.4
151.31273	0.3
161.09547	0.5
164.06902	0.3
166.08661	0.4
167.07074	0.4
176.14326	62.9
177.14690	2.7
179.10677	0.4
182.08116	0.5
202.15895	2.5
210.07507	0.5
216.13803	1.1
225.11194	0.4
287.17490	0.5
288.15897	19.4
289.16321	1.1
305.18570	13.3
306.18774	0.7
403.17334	0.5
403.22198	9.3
404.22571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.6
69.31789	1.6
71.79031	0.4
79.05470	0.6
89.03909	1.3
91.05484	0.5
98.97573	8.3
104.04976	0.8
104.24441	0.4
105.03388	0.5
105.05743	0.4
105.80892	0.4
107.04938	0.8
114.03401	0.9
116.04954	0.7
116.98624	4.5
118.04171	0.5
119.03671	0.5
120.04447	1.9
121.06487	0.6
129.03598	0.4
129.04449	2.4
129.21065	0.4
130.04053	1.2
132.04428	0.7
133.05229	3.0
134.06000	6.1
134.99640	1.6
137.05968	3.2
141.04446	1.0
143.03644	0.9
143.06052	2.9
144.04433	0.5
145.02835	1.8
145.05196	2.2
154.05267	0.5
155.06064	0.9
156.04422	10.0
156.05676	0.9
157.02820	0.5
162.05539	0.8
169.04010	1.4
170.04732	0.5
171.03116	0.7
171.05475	2.7
172.03912	11.2
173.04601	1.2
177.05449	1.4
182.04724	1.0
183.05525	11.6
183.93437	0.5
184.05772	0.6
191.73901	0.5
197.07118	0.5
199.04988	2.8
200.03392	3.7
201.04205	4.4
201.06528	1.7
202.04938	0.7
210.04245	4.4
210.06409	0.9
211.05083	0.8
212.03282	0.5
216.06503	4.6
218.08281	0.4
226.11185	1.1
235.02750	4.3
242.03236	1.7
244.08556	0.6
244.12224	0.5
245.06924	0.5
253.03790	7.8
256.08746	0.5
258.07870	0.8
269.29172	0.4
272.08173	3.7
273.06464	1.5
273.09006	2.3
274.07382	0.8
275.08228	0.9
276.05499	0.9
287.08026	1.9
289.09570	0.6
299.08261	0.5
300.07678	3.5
301.08344	6.9
303.07620	0.9
312.07626	1.1
315.10126	1.1
316.10831	3.8
328.07159	10.1
328.10532	0.5
329.07907	40.7
330.08264	3.1
331.07654	0.5
331.85977	0.4
336.81204	0.5
344.10278	27.6
345.10678	2.2
372.09763	100.0
373.10098	7.3
404.17517	5.1
405.22455	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	404.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36811	0.5
70.91062	0.5
70.91417	0.4
85.02829	0.4
112.03718	0.7
113.15337	0.4
130.74261	0.4
133.89166	0.4
138.09123	0.9
242.09976	4.9
242.13751	0.7
283.52768	0.5
287.10999	7.9
333.11603	2.0
404.15237	100.0
405.15662	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27293	0.5
57.03432	4.0
65.03926	0.7
69.48042	1.5
70.06579	1.3
71.01353	0.6
73.02902	0.8
74.37782	0.6
75.04469	2.5
85.02892	1.9
91.05474	100.0
92.05802	2.4
95.01302	1.4
97.02911	0.8
103.03911	0.5
119.04934	0.7
137.05962	6.8
141.01817	2.3
142.10457	0.6
156.10190	2.1
159.02890	0.5
174.11285	0.6
193.08588	46.9
194.08894	1.5
211.09624	9.0
216.12048	0.5
242.13850	0.5
253.39618	0.5
318.12357	0.9
360.13501	4.6
369.11722	1.6
404.12283	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74619	0.4
57.03430	3.2
65.03921	0.8
69.77209	1.4
70.66399	0.4
71.72617	0.5
73.02905	1.1
74.94916	0.4
75.04475	2.2
85.02911	3.9
85.92307	0.4
91.05475	100.0
92.05814	3.3
95.01344	2.8
97.02872	0.6
98.22834	1.0
113.02374	1.3
116.95815	0.4
119.04895	0.4
124.03928	1.0
131.03360	0.6
137.05972	7.6
141.01820	5.1
182.22733	0.4
193.08595	43.9
194.08954	2.3
195.07889	0.5
195.28401	0.5
205.48143	0.5
211.09634	15.0
212.09967	0.9
228.79869	0.5
235.09613	0.4
236.75209	0.5
268.08255	0.9
351.10666	0.7
369.11798	1.6
385.73041	0.6
405.16840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22996	0.6
51.46027	0.6
53.77516	0.6
54.61351	0.5
56.96554	16.9
65.26319	0.6
66.10683	0.6
68.86826	0.7
94.04150	1.3
98.22845	0.9
98.97569	81.9
104.99232	0.8
110.77177	0.7
116.98605	66.5
122.03629	3.8
134.98587	1.2
134.99644	33.2
137.05959	50.4
138.06279	1.9
140.00128	2.5
153.00676	5.1
158.01216	2.6
160.99091	1.2
177.21362	0.8
179.00140	0.9
193.01685	1.0
197.01175	2.5
198.01860	1.1
208.10124	0.9
211.02705	1.5
215.02229	0.8
220.00357	2.3
224.09474	1.6
225.96103	0.7
226.08791	0.8
226.11104	19.1
235.02744	66.7
236.03029	3.0
238.01466	2.6
242.10539	1.6
244.12193	11.7
253.03802	100.0
254.04129	3.0
268.12122	3.9
271.04846	4.4
276.05429	8.1
286.13168	0.9
329.13034	1.2
344.15274	7.3
345.15750	1.0
345.94016	0.8
362.16299	1.4
374.09564	1.6
404.17447	64.5
405.17853	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2066
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
54.73780	0.3
55.01862	0.5
55.05503	0.6
56.82664	0.4
57.07098	0.3
67.05480	1.2
69.03423	4.6
69.07051	0.6
69.60843	0.9
70.06572	0.4
79.05482	1.6
81.03418	0.6
81.07040	1.6
82.06559	0.6
83.01306	0.6
83.07360	0.8
83.95438	0.4
85.06534	0.6
91.05465	2.4
91.21767	0.3
93.07034	1.2
94.06552	0.4
95.04955	1.1
95.08607	0.6
96.08114	4.8
97.02866	0.6
97.06537	0.5
98.09710	0.4
98.52378	0.4
99.08101	0.4
100.11248	1.2
105.07013	1.2
106.06542	0.6
107.04930	0.9
107.08562	0.6
108.08136	0.4
115.05458	0.6
117.07023	1.1
119.08581	1.0
120.08121	1.1
121.06496	1.2
124.11163	0.4
128.10706	0.8
129.07007	1.3
131.04922	0.6
131.08542	0.9
133.06538	0.4
136.11157	1.8
137.05972	1.4
138.12753	8.2
139.03871	1.0
142.07756	0.5
143.08557	0.7
145.06459	0.9
145.10184	0.5
147.07970	0.5
148.07524	0.5
149.05959	0.8
149.09581	0.6
151.07545	0.8
152.10698	0.4
153.01813	1.3
154.12283	0.6
157.06548	0.4
157.10106	0.9
159.08051	0.7
160.07590	0.4
161.05946	1.0
161.09592	0.4
162.12773	0.8
163.07475	0.7
164.10690	0.4
165.05574	0.7
167.07137	0.5
167.08545	0.9
171.08037	0.6
173.06003	0.4
174.12833	0.6
175.07536	1.2
176.14352	2.2
181.04980	0.4
185.09631	1.0
187.07674	0.5
189.09077	0.5
190.12268	0.7
191.06996	0.5
193.04944	0.6
195.08025	0.6
203.06996	0.4
204.13812	9.6
205.48242	0.4
207.10159	0.7
211.07491	0.4
213.09122	0.9
217.05090	0.5
233.89204	0.4
234.18607	0.4
247.09715	0.4
255.10089	0.5
259.09763	0.8
260.16547	0.4
273.11176	0.7
279.08655	0.6
287.12680	0.7
289.10721	0.6
291.12241	4.0
357.16891	0.5
358.20029	0.6
374.18570	0.5
386.19638	2.0
404.20615	100.0
405.12146	0.4
405.20926	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	404.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.69079	1.8
56.80252	1.4
57.03427	1.7
65.03947	3.5
67.05500	54.5
69.03436	1.3
69.07069	15.4
71.04992	20.8
72.50401	1.6
79.05486	4.1
80.80739	1.4
83.01328	1.9
91.05467	1.9
93.07027	3.6
95.04981	2.3
95.08618	1.5
97.06525	43.4
98.23513	3.2
99.08084	100.0
100.08425	2.4
107.08559	1.8
123.04440	2.7
133.78548	1.4
143.08551	1.7
147.04474	1.8
161.05998	1.9
183.08075	2.6
185.09561	1.9
213.09076	4.1
215.10661	3.9
231.10120	2.3
240.11566	1.7
243.06480	1.9
275.09103	4.8
299.16318	3.2
311.13098	3.1
311.16449	8.2
327.15921	6.1
369.16864	1.6
374.09537	5.7
404.14249	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	1.5
67.05494	2.9
69.03414	5.3
70.56711	1.7
75.22126	1.6
77.27841	1.5
77.53291	1.5
81.03394	2.9
81.07043	2.8
83.04974	2.3
85.02913	11.1
85.06531	2.0
86.06053	3.4
91.05456	2.7
93.07056	3.2
95.04988	2.0
95.08596	4.0
97.02894	3.4
97.06525	2.5
98.31071	1.8
105.06981	3.2
107.08527	2.0
108.08130	6.6
109.06503	2.5
119.08567	2.9
121.06503	13.6
121.10134	7.4
123.08057	100.0
124.08407	2.1
127.03847	2.0
130.04999	12.8
133.10141	2.0
135.11760	2.0
137.05943	1.7
145.04985	1.9
151.11176	6.2
161.13206	3.0
176.08315	3.0
181.12212	6.6
207.13742	4.5
225.14789	14.3
257.89139	1.7
276.65564	1.7
307.20096	7.2
405.23999	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01853	3.9
55.05502	8.5
57.03428	5.8
59.04987	2.9
65.03918	2.8
67.05497	7.0
69.03426	19.6
69.07057	7.5
70.06577	7.1
70.50201	6.2
79.05484	14.4
81.03411	11.5
81.07045	9.2
83.04964	4.4
85.02895	22.3
85.06518	4.4
87.00826	4.0
87.04488	3.3
91.05467	30.0
93.07050	10.4
95.04953	7.6
95.08611	22.3
97.02876	10.4
99.04449	3.1
103.05460	6.5
105.01853	4.7
105.07027	61.9
107.08601	15.5
108.58257	2.7
109.02873	9.9
109.10145	4.2
110.64355	2.6
112.07529	2.7
113.05965	2.7
117.06976	8.0
119.04898	4.2
119.08571	91.3
120.08918	4.7
121.06462	3.3
121.10139	16.8
123.08044	5.9
124.07615	4.5
127.03907	12.1
128.06195	3.4
129.06990	3.3
129.18451	2.6
131.04881	5.0
131.08554	20.3
133.06471	20.3
133.10133	34.5
135.08032	7.6
135.11668	4.5
137.05952	7.5
138.09131	2.6
143.08583	3.5
145.04964	6.3
145.06427	2.7
145.10104	4.9
147.08035	12.8
147.11679	100.0
147.67056	2.5
148.12001	2.8
151.07535	10.5
156.09323	6.2
159.08022	2.9
159.11630	4.9
161.05975	10.1
161.09608	8.2
161.13254	60.5
162.58453	2.4
163.07513	4.1
169.05078	3.5
171.11623	4.6
174.10277	4.2
189.09004	3.6
189.12730	72.8
190.13062	4.4
207.06490	6.2
207.10149	4.5
207.13777	51.7
225.67728	2.9
230.08875	2.7
253.08604	2.9
255.10240	3.5
287.12839	4.5
333.16980	3.0
351.18002	12.5
372.11032	3.1
400.38962	2.8
404.19757	4.6
405.17191	11.7
414.71967	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	405.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.1
56.77534	0.9
57.03437	1.1
57.79808	0.9
68.99793	1.3
69.03428	2.7
69.92165	2.6
70.06586	7.0
78.68372	0.9
81.03425	1.5
81.35060	0.9
85.02927	3.9
91.05468	1.4
93.07084	1.2
95.05006	1.1
97.02891	2.2
106.02979	0.8
107.73536	0.9
109.02907	2.7
110.98329	0.9
112.07578	5.2
115.92336	1.0
119.04978	1.0
123.04458	1.5
127.03957	3.0
128.06271	1.3
129.07024	2.2
131.04973	2.7
138.05638	1.1
139.05473	3.3
140.07095	2.8
141.05429	1.6
141.07083	1.2
145.04964	1.7
153.01839	5.7
153.86935	0.8
155.04982	3.3
157.06506	4.9
157.08408	1.0
158.08174	1.5
159.04453	1.5
161.06033	3.9
166.06134	0.9
167.05008	1.9
167.07088	1.5
169.05011	3.8
169.06409	1.0
171.04437	1.2
173.06035	1.5
175.03941	1.7
175.07590	1.8
177.05579	2.0
177.09180	2.1
178.13745	1.0
183.04507	3.3
185.05988	7.8
185.88133	0.9
187.03990	2.4
195.04500	2.2
197.06094	2.0
199.04053	1.3
201.05568	3.9
203.03461	2.8
203.07143	2.7
205.05040	2.2
207.04657	1.4
211.03966	2.6
213.05453	11.5
215.03438	4.9
215.05420	0.9
221.08165	1.0
223.03944	5.8
225.05667	1.9
229.05002	5.0
231.02870	4.7
235.03883	0.9
239.03349	8.7
240.04044	1.5
241.04913	14.2
243.02823	4.6
243.06870	1.7
244.44098	0.8
251.03568	2.5
253.05032	1.2
255.02863	1.5
257.04459	10.6
259.02417	2.6
261.03799	5.0
267.02795	7.0
268.03549	0.9
269.04422	16.2
271.02512	3.3
273.04004	1.5
279.03043	1.2
281.04489	1.1
284.03400	1.1
285.03918	8.7
287.02155	1.9
287.05713	3.7
289.03381	47.5
290.03891	2.7
295.02371	7.1
297.03934	16.2
299.01828	4.6
303.05103	2.1
305.12091	1.3
313.03418	28.5
314.04153	2.5
315.01489	24.9
315.05118	9.6
316.01819	1.5
319.13715	2.5
323.01831	12.8
324.02438	2.1
325.03586	2.2
327.01556	1.9
331.04742	2.6
340.02222	1.6
340.24832	0.9
341.02884	28.9
342.03558	1.5
343.04398	16.2
347.13184	1.6
359.03983	9.8
361.14618	10.4
369.02383	12.0
373.12973	1.2
387.03415	77.0
387.16513	2.4
388.03763	7.2
404.23178	1.0
405.17502	100.0
406.17917	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	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
58.37386	1.9
59.22755	1.7
65.03935	9.2
66.70042	1.8
67.05497	5.4
69.03465	2.6
71.42526	2.3
79.05485	9.0
81.03413	7.0
81.07022	2.3
85.02896	8.0
91.05473	4.2
95.04955	5.9
97.06518	2.5
105.01846	2.1
107.04944	18.1
108.02102	2.6
110.03646	2.7
111.04433	3.1
115.05461	4.9
117.07024	2.3
117.42611	1.9
119.04900	3.0
122.03650	3.2
123.04406	3.6
125.06008	2.7
127.03917	4.8
128.06209	4.4
129.06995	12.6
131.04906	2.5
133.06488	3.9
137.05962	49.5
138.03090	2.1
143.04924	2.7
145.06453	4.3
147.04382	2.7
147.07976	2.2
149.05939	2.8
151.03893	50.2
151.04979	4.4
152.04428	2.5
153.05380	4.2
155.05978	2.6
157.06480	11.4
160.05171	3.4
161.05943	6.0
167.07022	51.3
171.04417	4.5
171.06488	8.5
172.05142	8.4
173.05936	4.0
175.07520	9.5
181.04929	100.0
182.05257	2.3
187.07542	6.4
189.05431	2.7
189.09065	9.4
191.07047	7.4
195.06657	4.1
200.04672	3.2
201.05519	2.5
203.07001	19.1
205.06648	2.4
205.08553	6.6
218.05711	6.1
219.10194	2.9
221.08081	11.0
233.08058	49.2
235.09625	2.7
245.08099	2.4
251.06958	3.5
251.09230	4.6
263.09116	8.5
277.08621	3.4
294.08923	2.1
299.09253	2.2
309.10999	3.2
325.10684	3.8
337.10791	5.7
341.13708	2.2
343.11032	2.4
351.12299	2.7
357.13275	15.1
369.13358	6.0
387.14282	29.9
388.14581	4.0
406.30405	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	405.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	0.8
70.02080	1.0
70.02419	0.7
70.06576	2.1
76.84159	0.5
81.03401	1.3
85.02885	1.2
95.82274	0.5
105.39799	0.4
109.02832	1.0
112.07607	1.2
113.07878	0.5
121.02845	0.6
127.03929	1.0
153.01805	9.0
158.08192	0.5
161.05998	1.0
171.02870	1.0
175.07442	0.6
203.06998	1.0
212.10236	0.5
221.08170	0.5
267.02875	0.8
269.04410	0.7
289.03464	2.5
297.06250	1.1
313.03528	1.2
315.01526	1.0
341.03049	1.5
343.04614	1.0
359.03870	0.6
361.14774	2.4
369.02625	0.5
387.03271	3.0
387.15961	0.7
405.17288	100.0
406.17575	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	405.1728
Annotation	Osajin
Peak:m/z	Relative Intensity
70.06599	0.4
72.08136	0.5
76.94258	0.4
79.05482	0.6
83.04742	0.3
85.02889	0.9
91.05479	0.4
105.03364	0.6
109.10183	0.4
118.04048	0.3
121.02866	0.4
121.65632	0.3
123.04459	0.4
127.03808	0.4
137.05956	0.4
139.03891	0.4
141.25636	0.3
142.37991	0.4
147.04298	0.4
165.09073	0.6
166.09328	0.5
173.12856	1.1
179.60233	0.3
188.07004	1.0
193.08679	0.5
194.08974	0.6
259.11041	0.5
275.10431	0.4
402.62552	0.4
405.17233	100.0
406.09470	0.4
406.17667	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	405.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
59.59692	1.4
61.89301	1.2
65.03928	2.3
78.04704	4.5
79.05485	7.9
81.07059	3.1
89.36932	1.3
91.05470	27.5
93.07034	2.8
94.04185	3.4
95.04955	8.0
95.08616	1.9
103.05465	10.2
105.04533	2.0
105.07030	11.1
106.04181	2.9
106.64391	1.5
107.04953	12.9
107.25271	1.3
109.06502	4.9
115.05421	4.8
117.07015	4.1
119.04931	19.2
121.06488	8.2
122.03638	5.3
123.04403	10.3
123.08084	2.9
124.05200	2.7
125.05939	2.0
128.06200	4.3
129.06989	16.3
130.07356	1.6
131.04895	14.4
131.08574	1.5
133.06456	8.8
135.04385	1.8
135.08055	5.9
136.05165	4.5
137.05959	67.9
138.06364	2.0
143.04977	2.2
145.06462	6.0
147.04417	4.5
149.05949	14.1
150.06668	2.4
151.03888	3.8
151.07521	100.0
152.04683	3.2
152.06215	2.4
152.07773	1.8
153.07013	2.0
157.06430	10.6
159.08035	2.3
161.05948	18.6
161.09653	4.0
162.06596	2.7
163.03952	1.5
163.07530	29.3
165.06979	9.3
165.09091	5.2
166.07597	1.4
167.07036	97.4
167.08508	12.1
168.07362	2.3
174.06770	7.8
175.07532	12.1
176.61478	1.4
177.09097	6.5
178.07788	4.8
179.07019	3.7
181.06453	3.3
181.08598	6.1
182.07304	2.3
183.07971	2.4
187.07523	3.5
189.09070	39.6
191.06989	1.8
192.09387	1.5
193.06493	6.7
193.08583	18.2
193.10147	5.3
194.07156	1.7
195.08028	19.6
195.09917	3.1
196.08742	1.6
197.06032	4.3
197.09645	1.4
203.08565	2.8
205.06641	2.1
205.08513	1.7
207.08215	2.0
207.10184	6.0
209.09715	3.0
210.06740	5.8
211.07523	5.2
212.08296	2.5
219.07974	2.0
219.10088	2.5
221.06024	10.6
221.09508	8.7
222.10257	2.0
223.07541	8.1
223.11188	1.9
224.08353	2.7
225.09171	9.2
227.07076	2.0
227.10634	19.1
228.10973	1.5
237.09164	3.1
238.06281	3.4
238.09891	1.7
239.07086	2.0
240.07808	4.5
241.08502	2.3
247.07671	1.5
249.09135	5.7
252.07826	3.0
253.08554	11.7
253.12233	12.6
254.09200	1.9
255.06488	1.2
255.07471	2.0
255.10133	22.6
257.07983	1.6
263.10861	1.5
266.09326	2.1
267.10068	4.8
269.08044	3.7
269.11716	2.5
270.08902	1.7
271.09686	2.4
272.10303	7.1
281.11816	7.5
285.11218	13.5
286.11737	5.5
287.12726	41.0
288.13309	2.3
295.13498	1.6
298.11734	2.3
299.12701	3.3
301.14288	3.9
313.14310	19.7
314.14743	1.9
316.13049	5.4
323.12808	1.9
329.13696	1.9
330.14578	22.9
331.15387	10.3
355.15359	3.3
405.19159	2.8
405.23761	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	405.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
59.59692	1.4
61.89301	1.2
65.03928	2.3
78.04704	4.5
79.05485	7.9
81.07059	3.1
89.36932	1.3
91.05470	27.5
93.07034	2.8
94.04185	3.4
95.04955	8.0
95.08616	1.9
103.05465	10.2
105.04533	2.0
105.07030	11.1
106.04181	2.9
106.64391	1.5
107.04953	12.9
107.25271	1.3
109.06502	4.9
115.05421	4.8
117.07015	4.1
119.04931	19.2
121.06488	8.2
122.03638	5.3
123.04403	10.3
123.08084	2.9
124.05200	2.7
125.05939	2.0
128.06200	4.3
129.06989	16.3
130.07356	1.6
131.04895	14.4
131.08574	1.5
133.06456	8.8
135.04385	1.8
135.08055	5.9
136.05165	4.5
137.05959	67.9
138.06364	2.0
143.04977	2.2
145.06462	6.0
147.04417	4.5
149.05949	14.1
150.06668	2.4
151.03888	3.8
151.07521	100.0
152.04683	3.2
152.06215	2.4
152.07773	1.8
153.07013	2.0
157.06430	10.6
159.08035	2.3
161.05948	18.6
161.09653	4.0
162.06596	2.7
163.03952	1.5
163.07530	29.3
165.06979	9.3
165.09091	5.2
166.07597	1.4
167.07036	97.4
167.08508	12.1
168.07362	2.3
174.06770	7.8
175.07532	12.1
176.61478	1.4
177.09097	6.5
178.07788	4.8
179.07019	3.7
181.06453	3.3
181.08598	6.1
182.07304	2.3
183.07971	2.4
187.07523	3.5
189.09070	39.6
191.06989	1.8
192.09387	1.5
193.06493	6.7
193.08583	18.2
193.10147	5.3
194.07156	1.7
195.08028	19.6
195.09917	3.1
196.08742	1.6
197.06032	4.3
197.09645	1.4
203.08565	2.8
205.06641	2.1
205.08513	1.7
207.08215	2.0
207.10184	6.0
209.09715	3.0
210.06740	5.8
211.07523	5.2
212.08296	2.5
219.07974	2.0
219.10088	2.5
221.06024	10.6
221.09508	8.7
222.10257	2.0
223.07541	8.1
223.11188	1.9
224.08353	2.7
225.09171	9.2
227.07076	2.0
227.10634	19.1
228.10973	1.5
237.09164	3.1
238.06281	3.4
238.09891	1.7
239.07086	2.0
240.07808	4.5
241.08502	2.3
247.07671	1.5
249.09135	5.7
252.07826	3.0
253.08554	11.7
253.12233	12.6
254.09200	1.9
255.06488	1.2
255.07471	2.0
255.10133	22.6
257.07983	1.6
263.10861	1.5
266.09326	2.1
267.10068	4.8
269.08044	3.7
269.11716	2.5
270.08902	1.7
271.09686	2.4
272.10303	7.1
281.11816	7.5
285.11218	13.5
286.11737	5.5
287.12726	41.0
288.13309	2.3
295.13498	1.6
298.11734	2.3
299.12701	3.3
301.14288	3.9
313.14310	19.7
314.14743	1.9
316.13049	5.4
323.12808	1.9
329.13696	1.9
330.14578	22.9
331.15387	10.3
355.15359	3.3
405.19159	2.8
405.23761	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	405.2245
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
67.05480	0.6
79.05492	0.5
93.07050	0.8
98.09422	0.4
98.23512	1.3
99.08064	0.7
104.99271	0.5
158.51181	0.5
251.28595	0.5
288.55984	0.5
331.26614	0.8
387.21289	0.6
405.22427	100.0
406.22714	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	406.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
69.03416	3.7
69.30092	3.8
69.35979	0.9
79.01843	3.5
81.03412	9.7
85.02914	2.7
97.02890	6.4
98.22826	2.5
98.23515	1.6
99.04466	1.4
107.01325	1.2
109.02875	6.7
123.04393	1.9
125.02341	3.0
127.03901	6.7
139.97659	0.8
143.03429	4.6
145.04916	1.8
151.03894	3.0
153.01819	100.0
154.02142	2.9
171.02899	13.9
269.67618	1.1
297.06006	12.5
303.08548	2.1
315.07095	8.8
396.52216	0.9
406.12415	1.2
406.17566	8.0
407.00342	0.9
407.09448	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
53.83588	1.9
55.01873	10.6
56.96567	2.0
57.03441	9.4
60.04515	1.8
61.02928	7.1
64.18486	1.7
68.99798	4.6
69.03424	33.8
70.70705	2.6
70.71078	1.7
71.04988	7.2
73.02917	12.7
81.03414	40.2
83.01327	2.5
83.97353	1.7
84.04482	1.9
85.02899	100.0
87.00819	35.8
91.03952	3.8
97.02888	42.4
97.83041	1.7
99.04456	18.3
103.03946	6.8
105.01860	33.1
105.02534	2.6
105.16133	1.7
108.04482	6.6
109.02868	56.8
117.01868	4.4
123.04417	5.8
126.05529	6.0
127.03905	76.0
128.04292	2.4
129.01833	6.9
133.02870	6.0
137.05923	3.1
141.05452	10.0
145.04951	40.2
147.02893	5.9
147.04462	2.4
151.03905	2.8
153.01817	23.2
159.02879	26.3
165.05472	15.0
171.02872	4.3
177.05440	2.5
179.07117	2.3
183.06543	3.7
189.03998	12.9
203.07039	2.6
207.06453	13.2
230.06436	2.3
231.04915	7.9
231.06635	6.1
248.07623	3.9
249.07620	12.5
255.01706	2.5
297.06116	2.5
337.02252	2.3
406.17712	16.3
407.00333	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	406.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46719	0.8
55.01855	2.8
55.05493	2.1
56.05025	7.9
57.03426	6.3
58.99580	12.6
60.57029	0.8
67.05476	1.2
68.05010	1.7
69.07048	1.1
70.76828	1.3
73.01156	1.7
74.00647	2.0
74.02432	1.0
75.47648	0.8
75.61968	0.7
76.02220	22.0
76.04008	1.9
79.05499	4.5
80.04980	0.9
81.07050	23.5
83.06075	1.8
84.04495	29.5
84.04999	1.4
85.01101	3.5
85.04826	0.9
86.00650	4.7
86.06070	0.8
86.99048	7.4
87.02688	6.9
88.02191	2.5
93.07050	1.0
95.08600	4.9
97.01155	1.2
97.02139	0.8
97.06493	2.0
98.09686	12.1
99.05558	1.2
99.07524	0.8
99.08086	4.9
101.00584	1.4
102.05531	5.5
105.07037	1.6
110.09666	2.2
112.03936	4.3
113.04226	7.1
115.05788	2.8
116.01670	26.6
122.09642	1.9
123.07982	1.2
127.05796	1.0
129.06572	3.1
130.04976	6.0
130.06857	4.3
130.08618	1.5
139.05753	2.8
142.03227	1.8
142.04958	0.9
144.01131	9.3
144.59491	0.8
156.08406	23.3
156.10182	11.3
157.06810	9.4
162.02188	24.8
174.09462	13.2
179.04854	8.3
189.03297	1.6
210.11139	1.9
215.04913	0.8
216.06870	5.0
233.05788	2.6
242.08466	1.1
245.05807	0.8
259.11090	100.0
260.09024	1.4
260.11694	3.9
272.29556	0.8
277.12161	1.1
285.12698	1.8
308.09225	1.0
313.12033	4.2
331.13199	6.7
388.15417	1.2
389.13852	0.9
406.16312	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.6
55.01862	9.4
57.03425	4.2
58.94280	3.2
61.02923	6.9
68.99775	3.1
69.03429	30.0
70.91286	4.4
71.04990	4.3
73.02898	6.3
77.87651	3.3
81.03413	35.2
81.65070	2.9
85.02898	100.0
87.00826	25.7
88.96440	2.6
97.02888	36.0
99.04455	13.2
103.04010	3.4
103.05501	5.1
105.01864	28.8
108.04456	6.8
109.02867	49.9
117.01835	3.0
121.06478	8.1
126.05523	3.7
127.03897	61.2
129.01813	7.4
131.04941	4.6
133.02814	5.1
137.06004	9.0
141.05467	17.4
144.75031	2.9
145.04950	34.2
147.02797	6.0
147.04355	4.0
149.05960	14.9
151.03925	6.0
153.01796	20.3
159.02884	18.5
159.04207	3.9
165.05467	11.0
167.07025	98.8
169.58531	2.7
171.02933	3.3
177.04094	5.2
177.05490	36.6
177.59633	2.5
189.03903	9.5
189.81149	2.6
207.06473	9.1
209.08075	24.0
213.04024	2.8
227.09113	70.7
228.09505	3.8
231.04947	9.9
248.07516	3.2
249.07568	11.9
406.17599	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	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73446	0.7
61.99741	0.7
69.03428	2.2
69.07059	1.9
69.75117	0.8
69.75466	2.7
81.03410	1.2
85.02899	6.7
91.05491	2.7
95.04959	1.7
97.02901	2.1
98.22904	2.1
107.04988	0.8
108.05749	0.9
113.51164	0.8
117.06998	1.4
121.06504	3.4
121.10120	4.8
127.03895	1.6
135.08058	1.7
136.05165	1.6
137.05927	1.3
145.05028	1.2
147.04408	1.5
147.08049	3.0
148.05190	4.0
149.13284	0.8
151.07535	2.9
153.05482	2.1
162.06680	1.4
163.07545	4.5
165.05457	1.9
166.06200	7.7
168.07771	6.8
170.97742	0.9
171.13661	0.9
177.09117	3.7
178.09879	23.4
179.07045	3.1
179.10542	2.4
181.08568	70.0
182.08900	2.0
189.09212	0.9
191.14349	1.5
194.09351	10.5
195.10164	2.7
209.11700	33.9
210.12076	1.3
227.12752	100.0
227.16446	6.4
228.13136	2.9
401.41125	0.8
407.25717	1.5
427.18515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.2
55.05508	4.3
56.05036	7.7
57.03439	9.2
58.99578	15.5
61.02911	2.3
63.35185	1.9
67.05507	5.3
68.05053	2.5
69.03433	2.1
69.07054	4.0
70.06588	3.0
71.04988	2.6
73.01107	2.3
76.02222	30.2
79.05486	11.5
81.07055	25.5
84.04507	31.2
84.08145	4.4
85.01149	2.8
85.02899	7.1
85.06533	32.2
86.00659	6.0
86.99063	8.9
87.02704	7.7
88.02225	3.8
91.05486	7.4
93.07043	8.0
95.05001	3.4
95.08630	4.9
96.95627	2.0
97.02903	4.0
97.06553	4.1
98.09683	10.7
99.08103	5.5
102.05542	6.9
105.07055	5.5
107.04949	3.8
107.08582	5.6
110.09676	2.9
112.04033	4.5
113.04233	7.5
114.03834	2.4
115.05791	3.0
116.01672	28.2
119.08595	4.6
121.06519	4.5
121.10155	6.0
123.08057	2.5
129.06564	3.1
130.04982	7.7
130.06902	3.6
131.08568	19.1
138.05220	3.0
144.01163	10.3
145.10106	7.6
148.65378	1.8
149.09590	15.2
152.45859	2.1
154.04869	2.4
155.12367	2.0
156.08418	17.1
156.10219	11.2
157.06810	8.9
162.02199	28.6
163.11221	7.8
165.09143	2.4
167.10652	6.4
171.41425	2.7
174.09454	16.5
179.04817	12.9
191.10674	18.5
196.09477	7.3
209.11725	27.2
216.06883	7.2
227.12759	42.8
259.11115	100.0
260.09296	3.3
293.14709	7.0
313.12140	3.1
331.13208	5.8
388.15283	3.3
388.23203	3.1
403.75723	2.1
406.19498	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01858	5.5
55.98214	1.6
57.03426	5.7
60.02778	1.5
61.02913	4.4
67.05500	4.4
69.03427	32.5
69.07056	2.1
70.81831	2.5
71.04984	4.7
73.02925	7.8
79.05466	4.4
81.03414	22.9
81.07066	8.7
85.02900	100.0
87.00824	36.0
91.03963	2.1
93.07025	1.7
95.08575	3.2
97.02880	24.3
98.17896	1.4
99.04449	10.4
105.01862	55.0
105.07031	1.6
106.74890	1.9
108.04408	1.9
109.02876	25.2
117.01846	2.7
119.08527	2.7
127.03912	67.9
129.01845	4.2
133.10184	1.9
137.05940	1.6
145.04948	30.4
159.02910	13.4
181.04956	3.2
189.03909	2.8
213.03944	2.7
230.06161	1.6
231.04938	15.4
249.06007	3.4
297.68118	1.7
335.14914	3.0
418.27768	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01855	0.8
55.05503	1.2
57.03423	2.4
59.04991	0.7
61.02911	2.0
67.05479	2.7
68.99672	0.6
69.03407	3.0
69.07052	4.0
69.36358	3.1
71.04985	4.9
79.05502	2.0
81.03389	2.0
81.07064	4.2
83.04966	2.0
83.08626	1.7
85.02897	10.0
85.06519	1.1
89.06013	2.1
91.05471	1.9
93.07035	4.7
94.78975	0.7
95.04932	0.9
95.08591	6.6
97.02866	2.7
97.06511	3.0
98.22779	1.7
98.23433	1.6
98.91737	0.7
99.04417	0.9
105.07006	6.0
107.08575	12.3
109.06519	2.1
109.10137	10.8
111.08080	2.7
113.05955	0.7
119.08572	4.0
121.06518	1.9
121.10129	70.0
122.10452	1.8
123.08043	1.7
123.11718	4.6
125.09612	2.6
127.03903	1.7
128.53406	0.7
129.09146	0.7
131.08553	2.6
133.07625	0.9
133.10112	7.9
135.08073	3.6
135.11668	3.8
137.09598	7.2
137.13206	0.9
139.11171	4.6
145.04915	1.5
145.10141	1.8
147.11664	4.6
149.09570	1.4
149.13217	7.3
151.11168	14.6
153.09085	1.8
158.10909	1.5
163.14836	6.6
165.12732	0.9
169.12206	3.1
173.13240	13.5
174.13672	0.9
191.14276	35.4
192.14645	0.7
209.15347	22.3
210.15689	1.2
227.16386	100.0
228.16765	4.4
342.93280	0.9
407.25665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.7
65.62865	3.3
65.91296	3.3
67.05511	7.8
69.03426	5.8
69.07058	5.6
69.61668	9.0
69.62046	9.2
69.77067	3.2
79.05489	6.3
81.03436	6.0
81.07058	12.2
83.04977	19.5
83.08607	16.0
85.02915	9.6
91.05482	12.5
93.07027	7.6
95.08603	7.8
97.10195	4.7
105.07020	9.0
107.08604	13.4
109.10165	16.6
111.08098	4.7
119.08547	4.6
121.10132	10.1
123.08063	4.1
123.11692	6.9
125.09615	5.9
130.04973	7.3
131.08549	6.7
133.10097	9.6
135.11638	5.1
144.02101	9.6
145.10132	15.7
149.13274	5.2
151.07542	5.0
151.11172	25.6
159.82341	4.6
164.98602	4.4
167.07002	7.5
167.14273	32.4
168.07402	6.6
173.13237	10.1
181.08559	4.0
185.13301	7.1
187.14894	5.2
191.14293	12.4
209.15355	100.0
210.15611	5.3
227.12849	5.1
227.16406	32.2
264.10944	3.5
350.95593	3.7
367.05856	4.3
406.31787	11.4
407.16779	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
55.05500	12.8
69.03442	3.9
69.27314	8.7
69.27712	12.4
81.07072	7.8
83.04977	12.2
83.08610	12.7
85.02891	8.2
92.77470	4.1
95.04963	62.3
98.22689	6.2
99.04433	19.6
105.07015	5.5
107.08600	6.0
109.10088	5.4
114.07413	3.7
133.10191	4.6
137.05980	3.5
151.11153	16.8
153.09064	22.3
153.96294	3.6
162.41373	3.7
163.07561	4.8
167.14317	11.7
167.53897	3.6
175.88992	3.3
209.15343	100.0
225.12604	3.6
227.16322	4.8
279.46368	4.6
289.05368	4.3
407.51282	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
55.05503	22.1
57.03437	5.1
59.05013	1.9
63.60650	1.5
67.05494	4.1
69.03423	4.4
69.07063	6.4
69.09621	11.6
71.04990	2.3
79.05492	3.0
81.03420	3.1
81.07050	7.9
83.04976	21.5
83.08624	14.9
85.02915	7.5
85.06536	4.0
85.27720	1.5
86.06039	1.8
91.05462	2.7
93.07041	6.9
95.04967	4.3
95.08627	4.6
97.02901	2.4
97.06528	3.2
97.10159	4.3
98.22701	3.6
105.07025	5.1
107.08583	10.0
109.06516	3.6
109.10147	16.1
111.08048	4.4
115.07566	1.5
119.08633	2.6
121.10165	5.9
123.11691	5.5
125.09639	4.7
127.11189	9.6
130.04979	3.6
131.05362	2.0
131.08647	2.0
133.10129	5.8
135.08018	2.9
140.13200	1.6
147.11658	2.7
149.09642	2.6
149.13263	3.3
151.11176	24.9
153.12761	2.4
163.14879	1.9
167.07047	4.0
167.14305	27.4
173.13281	4.5
181.08595	3.2
191.14294	17.1
193.08600	2.8
193.15881	2.2
194.09026	1.6
209.15352	100.0
210.15675	4.9
227.12816	5.5
227.16455	4.4
281.23273	1.6
290.02420	2.5
305.46173	1.5
346.11142	2.0
374.10400	2.3
401.96683	1.7
406.21982	4.8
407.13086	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	407.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	4.0
69.87827	5.0
69.88152	6.2
84.04520	2.7
89.21866	2.7
98.97556	10.4
113.24243	2.7
116.98595	5.5
153.01797	3.2
158.99617	4.1
177.04330	5.4
186.68181	3.0
227.51582	2.7
321.08380	10.8
363.10382	9.2
407.09317	100.0
407.13428	5.3
408.09940	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97388	51.0
64.60813	60.9
64.61225	50.3
79.51553	49.6
91.73715	59.8
130.85753	59.6
162.94984	59.4
163.31992	59.7
407.23798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81182	0.5
64.87749	0.4
67.05486	0.5
70.06599	1.6
81.07059	0.7
86.78313	0.5
88.07643	0.8
90.98351	0.4
95.04960	0.5
100.66634	0.5
105.07010	0.7
107.08577	0.6
119.08607	0.7
132.10205	0.8
146.11751	0.6
160.24991	0.5
256.26419	1.1
257.26651	1.3
295.15164	1.0
300.29019	1.1
301.29260	1.7
309.16727	1.3
325.16263	0.8
345.31741	1.0
406.35217	2.3
407.24020	100.0
407.35214	6.7
408.24307	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
63.60562	0.4
70.06577	1.1
72.91473	0.4
79.05514	0.5
81.07053	1.0
83.08607	0.4
91.05486	0.6
95.08603	0.6
98.23512	1.1
105.07041	0.4
124.54739	0.4
146.11760	0.5
224.31120	0.4
242.39574	0.4
246.89528	0.4
256.26324	0.6
300.28937	1.0
301.29373	0.7
309.16934	0.5
333.20593	0.5
406.35074	1.5
407.23996	100.0
408.24246	6.7
425.58899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34677	0.5
69.59952	1.3
70.06580	0.7
79.05473	0.6
91.05505	0.4
93.07048	0.6
95.04958	0.5
95.08607	0.6
98.22720	0.9
119.08614	0.5
127.94709	0.5
212.46141	0.5
219.80261	0.4
256.26367	0.6
298.84424	0.6
407.24011	100.0
408.24326	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	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.0
58.06589	0.7
67.05495	0.6
70.00776	0.5
70.01110	1.0
70.06584	5.5
71.06918	0.6
71.08607	0.5
72.08190	0.5
81.03426	0.4
81.07038	0.7
84.08134	0.9
86.09684	0.9
91.05476	0.6
105.06982	0.5
132.10184	1.5
146.11781	1.8
146.41783	0.4
147.12135	0.7
219.06493	0.6
239.25549	0.5
295.15106	0.9
300.28979	3.5
301.29276	6.1
309.16745	1.2
344.31726	1.7
345.31818	3.0
406.35233	8.2
407.24005	100.0
407.35458	20.9
408.24326	7.4
408.35547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49570	4.3
55.05487	4.5
57.07066	18.2
59.76932	4.2
60.62393	5.4
65.68573	4.2
69.07069	25.2
69.36517	16.6
71.08609	17.4
89.06017	28.7
95.35337	5.1
111.11736	10.9
117.79262	4.3
121.02855	5.5
129.12764	10.6
133.08566	9.9
149.02325	100.0
160.54579	4.6
167.03354	5.6
194.20641	4.5
225.71037	4.8
239.14984	5.1
240.98488	5.1
251.21008	4.7
294.55505	4.8
347.98508	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	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.05506	8.7
57.07056	3.1
65.03919	1.8
67.05499	21.3
69.03420	2.7
69.07064	11.7
71.04980	1.3
75.60475	0.8
79.05486	16.7
81.07050	37.8
83.02853	0.8
83.04966	5.1
83.08624	6.9
85.06555	1.0
91.05472	19.6
93.07039	35.6
94.07340	0.9
95.04961	4.6
95.08599	56.8
96.08941	1.1
97.06526	2.0
97.10154	3.6
103.05462	1.4
105.07021	50.0
106.07323	0.8
107.08586	47.8
109.06512	4.0
109.10148	33.7
110.10493	0.9
111.08078	2.8
115.05395	1.2
117.07017	7.8
119.08572	53.4
121.06557	2.0
121.09261	1.8
121.10132	34.2
123.08044	3.9
123.11700	14.1
125.09613	6.8
128.06197	2.9
129.07007	6.0
130.07771	2.6
131.08562	26.2
133.10115	32.7
133.11137	1.5
135.08073	1.9
135.11673	15.7
137.09616	3.7
137.13245	2.5
139.11185	1.1
141.06953	1.9
142.07774	2.1
143.08551	20.8
144.09331	3.1
145.10114	48.9
146.10483	1.5
147.08032	1.0
147.11687	15.9
149.13251	18.5
151.11201	2.8
151.14822	1.4
155.08560	4.0
156.09378	3.5
157.10098	18.9
158.10892	3.4
159.11684	28.9
161.09634	1.8
161.13242	12.4
163.11154	1.6
163.14821	15.4
167.08507	1.4
169.10104	5.7
170.10895	2.5
171.11684	14.1
172.12485	2.1
173.09506	1.1
173.13242	30.1
175.11200	2.1
175.14813	19.9
177.12723	1.2
177.16360	14.4
181.10152	1.7
183.11626	5.7
184.12439	1.4
185.13226	12.9
186.13884	1.0
187.14803	68.5
188.15146	3.3
189.12798	1.2
189.16374	16.8
191.14311	6.7
191.17949	3.3
193.09982	1.0
195.11656	3.1
197.13206	5.5
199.14799	14.8
201.12724	1.1
201.16356	22.9
203.14288	4.5
203.17941	12.0
205.15807	7.6
207.17450	2.9
209.13200	2.1
211.14764	4.6
213.16348	22.4
214.16966	3.3
215.14478	2.5
215.17908	18.0
216.18221	1.2
217.15881	5.9
217.19530	3.1
219.17485	1.6
221.13318	1.1
223.14798	2.5
225.16457	5.3
227.17924	8.5
229.15878	7.0
229.19472	3.0
231.17393	3.5
233.18977	2.7
237.16447	4.7
239.17909	4.4
241.19537	7.1
243.17531	2.6
243.21078	4.2
245.19040	1.6
251.17847	2.0
253.19522	4.9
255.21033	8.1
256.21661	1.2
257.18997	3.0
257.22318	1.1
259.20590	1.0
265.19461	2.5
267.21030	7.3
269.18927	2.4
269.22580	3.1
279.21063	2.3
281.22641	2.1
283.20532	4.7
283.24088	2.4
293.22623	2.7
295.24033	1.0
297.22214	1.4
311.23639	7.4
319.24194	2.4
321.25793	1.1
325.25085	1.0
333.25729	2.7
337.25244	2.8
347.27362	1.3
350.16595	0.9
363.30441	1.0
377.32019	1.1
379.33588	2.5
380.40668	1.0
389.32031	17.3
390.32565	1.1
407.33047	100.0
408.33328	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01869	1.8
55.05502	13.1
57.07066	3.1
59.05017	1.3
62.57194	1.1
65.03934	1.9
67.05497	23.4
69.03414	4.9
69.07062	15.1
69.83223	3.4
79.05487	18.1
79.44368	1.2
81.07045	44.7
82.07397	1.4
83.04983	9.2
83.08601	8.2
85.06482	1.2
91.05468	21.7
93.07037	36.8
95.04961	5.7
95.08598	66.2
97.06551	1.8
97.10149	5.2
98.23397	1.6
103.05463	1.7
105.07015	52.3
107.08584	59.5
109.06503	4.5
109.10142	40.0
111.08086	3.6
111.11732	1.1
116.06218	1.3
117.06969	9.8
119.08568	64.5
120.08894	1.5
121.06506	2.2
121.09254	2.3
121.10130	40.0
123.08049	3.6
123.11693	15.4
124.72122	1.0
125.09613	9.6
127.11195	1.3
128.06250	3.3
129.06989	8.9
130.07800	2.1
131.08548	34.0
133.10117	38.4
135.08031	1.3
135.11684	17.9
137.09595	3.8
137.13203	2.7
137.58951	1.2
141.06943	1.4
142.07796	4.4
143.08556	32.3
144.09265	3.7
145.10109	59.2
146.10469	1.9
147.07980	1.5
147.11674	20.0
149.09610	1.5
149.13260	19.3
150.13541	1.6
151.11177	4.0
155.08504	4.4
156.09297	2.9
157.10126	20.4
158.10876	4.0
159.11671	30.1
160.12257	1.1
161.09499	1.4
161.13249	12.6
163.11189	2.7
163.14798	14.5
169.10139	8.5
170.10881	2.1
171.11676	13.8
172.12451	2.6
173.09615	1.4
173.13249	31.5
173.14769	1.9
175.11188	2.2
175.14804	21.1
177.12718	1.9
177.16362	13.3
181.10072	1.2
182.10860	1.2
183.11702	7.6
184.12384	1.7
185.13255	13.5
186.13802	1.8
187.14796	86.4
188.15123	4.2
189.16364	17.1
190.16664	1.6
191.14272	7.1
191.17798	1.7
195.11595	2.2
197.13254	8.8
199.14795	17.1
201.16348	24.6
203.14339	2.8
203.17900	7.7
205.15881	6.5
207.17422	2.6
209.13255	3.5
211.14819	4.6
213.16353	35.4
214.16989	3.5
215.14380	2.4
215.17929	26.3
216.18216	1.4
217.15865	5.1
217.19556	4.5
223.14677	3.3
224.15314	1.4
225.16331	5.1
227.17897	9.8
229.15884	4.3
229.19464	4.7
231.17432	3.3
233.18896	2.9
237.16379	4.5
239.17940	5.1
241.19475	12.1
242.19933	1.4
243.17384	3.7
243.20996	6.8
245.18970	1.1
251.17889	3.4
253.19417	3.5
255.21021	10.6
257.19025	1.3
263.17923	1.2
265.19510	2.9
267.21054	13.9
269.18976	1.4
269.22736	2.0
279.20999	2.5
281.22577	3.3
283.20511	4.4
283.24045	3.0
293.22568	3.5
295.24033	1.2
297.21866	1.3
301.29117	1.9
305.22406	1.7
311.23676	7.3
315.19391	1.3
319.24112	2.4
333.25790	1.7
337.25034	3.1
347.27209	2.0
349.28964	2.1
377.31564	1.3
379.33841	1.9
389.27292	1.5
389.32040	20.3
390.32251	1.9
407.24692	15.0
407.32959	100.0
408.33389	10.1
410.56207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96775	0.7
55.12728	0.7
69.40546	3.5
71.50584	1.0
98.22768	1.8
98.23399	1.8
98.97584	1.1
101.00881	2.6
119.01924	8.0
136.01599	0.7
137.02995	1.4
177.00941	13.5
177.02318	1.4
178.01041	1.7
192.98851	1.0
201.00938	2.9
205.02931	0.8
216.99120	1.4
217.04086	3.4
217.99153	1.6
218.98785	1.9
219.01991	24.8
220.02097	2.9
225.01118	2.4
235.00003	5.2
236.00041	4.8
236.99818	2.5
243.01982	12.5
244.01967	1.0
253.01163	1.1
259.00012	7.9
260.00107	11.1
261.00018	4.9
261.03040	100.0
262.03174	10.3
263.03064	1.4
266.00177	1.2
277.01016	6.4
278.01138	7.0
279.01044	3.1
282.99841	12.7
283.99994	13.9
284.04602	0.9
284.99734	7.8
301.01013	18.2
302.01151	20.0
303.00873	12.3
319.02048	1.2
320.02286	1.0
367.02313	1.9
385.03195	16.1
386.03326	2.5
401.00934	1.0
402.01382	1.9
402.99750	1.0
403.04337	18.1
404.04367	4.0
408.00525	1.6
425.01288	1.8
426.01242	9.9
427.00885	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
59.94713	1.2
69.03429	7.5
69.87226	4.2
70.06574	2.9
75.01912	1.2
79.01842	1.8
81.03400	9.0
85.02909	9.9
88.59424	1.3
97.02885	6.8
98.00648	2.4
98.22704	1.8
103.21898	1.5
107.01338	2.0
109.02871	6.6
112.07585	3.4
114.30257	1.8
116.01708	1.6
118.61243	1.5
125.02277	1.9
127.03899	10.4
142.03229	2.4
142.06494	2.4
143.03427	4.1
145.04929	1.4
151.04553	6.5
153.01813	100.0
154.02162	2.9
160.04297	3.3
160.07588	5.1
164.05283	3.1
167.07047	10.1
171.02893	11.5
182.06345	35.2
210.05829	13.4
228.06854	43.1
229.07184	3.1
246.07953	15.6
246.49902	1.5
284.11539	1.5
297.05978	9.8
315.07068	14.5
329.93707	1.6
408.13287	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.6
69.03422	4.1
70.50296	3.4
71.05018	1.3
78.03445	2.1
79.05479	3.7
81.03403	4.8
81.07046	4.1
83.04972	2.5
83.08596	3.1
85.02891	7.6
87.00813	2.4
91.05466	3.8
93.07026	1.3
95.08580	2.3
97.02896	3.2
98.23518	1.4
99.04448	1.8
105.01866	2.7
106.02896	7.8
106.03488	1.5
107.08583	58.7
108.08894	1.6
109.02860	13.2
121.02821	1.4
124.03934	17.8
125.09619	100.0
126.09998	1.8
127.03921	5.9
159.02911	1.5
165.99356	1.3
166.88849	1.4
193.12401	1.9
211.13289	2.3
250.07144	3.8
268.08160	9.5
298.08975	2.2
335.99667	1.4
340.10074	1.7
382.69116	1.4
390.13889	3.9
408.13367	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84932	0.8
54.15407	0.8
54.85310	0.8
61.12585	0.7
64.59641	0.7
69.03421	1.0
69.45126	3.4
69.90062	0.8
76.19383	1.1
78.04698	1.1
78.95613	0.9
85.02901	1.8
91.05471	0.9
93.07036	1.0
94.01658	1.0
95.04952	1.4
107.04937	1.3
121.06524	1.1
123.04420	4.1
142.06485	0.8
149.05965	1.7
151.03886	1.0
152.04677	1.0
161.06024	1.2
167.07013	100.0
168.07365	3.1
181.08597	3.5
193.08604	2.9
211.09598	13.6
211.11368	1.3
229.10715	7.7
287.05411	0.8
409.09082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78853	0.8
61.02914	0.9
69.03395	1.1
70.06568	1.1
79.05478	0.9
85.02891	3.6
88.42812	0.9
91.05510	0.8
96.77820	0.8
97.02886	1.5
107.04944	1.1
108.83515	0.7
121.06421	0.9
123.04406	3.2
124.05180	1.0
127.03866	1.0
137.05977	5.0
149.05966	2.2
161.05995	0.9
166.07237	2.1
167.07019	100.0
168.07350	3.8
181.08578	2.9
193.08583	3.3
211.09648	12.7
229.10649	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	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01865	3.8
55.05518	8.8
57.03439	4.1
67.05500	23.3
68.56798	1.8
69.03427	11.4
69.07061	14.0
71.04972	5.2
76.62636	1.8
79.05477	10.9
81.03403	27.8
81.07048	76.0
82.07366	2.2
83.04967	5.8
83.08620	7.6
85.02895	17.5
85.06551	5.8
91.05463	21.5
93.07037	12.2
95.04952	3.9
95.08590	15.8
97.02901	8.5
97.06528	5.4
99.04446	4.5
99.08070	3.7
105.07020	39.1
105.07729	2.2
106.93018	1.7
107.08585	18.1
109.02875	12.7
109.06501	5.6
109.10217	2.6
111.02691	5.0
113.06035	3.3
117.06964	1.9
119.08573	34.6
121.10116	29.5
122.10432	2.1
123.08018	3.3
123.11689	33.9
123.12525	2.8
124.11995	1.8
127.03912	18.3
127.07545	3.9
131.08563	2.2
133.10110	4.7
133.86899	2.2
137.05959	2.5
137.13281	4.0
137.95604	2.0
145.04936	2.6
145.10068	2.9
147.11667	97.5
147.84390	2.2
148.11974	3.8
157.10037	3.3
165.12726	68.1
172.28270	1.8
175.11205	1.9
183.13789	16.7
193.12227	10.5
201.12727	2.1
211.13237	9.7
229.14319	100.0
230.14735	5.7
285.12387	3.8
319.15427	5.7
337.16409	21.2
355.17453	25.9
356.17630	3.7
373.18573	4.9
388.71103	2.1
391.25955	1.9
408.19327	7.2
409.16965	1.8
409.27139	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	408.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
55.05495	2.4
65.66466	2.0
67.05506	3.6
69.03407	4.2
69.07061	9.2
70.56915	3.7
71.05008	2.5
79.05470	4.6
81.07045	7.7
85.02917	9.4
85.06531	12.3
91.05470	9.4
93.07015	10.1
95.04974	3.3
97.02859	3.2
98.22718	2.4
99.04427	2.0
105.07008	11.8
107.08606	6.8
109.02893	3.9
109.06506	8.3
109.10136	3.8
111.08070	2.1
113.06014	2.5
119.08602	5.2
121.20686	2.3
125.09605	3.2
125.80617	1.8
131.08569	4.6
133.10115	52.4
134.10451	3.3
135.04289	2.1
137.05956	3.3
145.96623	2.5
147.11670	12.8
151.07518	2.6
151.11163	43.6
153.01799	3.8
155.07030	12.8
166.73335	2.3
167.07034	2.8
175.11203	6.5
181.04950	5.3
193.12218	22.7
211.13278	100.0
212.13669	5.3
229.14293	20.2
243.07680	3.5
246.08167	4.5
257.09143	4.0
267.07571	2.7
277.03345	5.6
285.08649	8.4
289.08218	3.6
303.09641	4.1
313.08194	9.0
315.09686	3.2
323.24106	2.1
331.09271	15.4
333.10846	4.1
349.10187	12.2
367.11505	3.0
377.09872	3.7
390.16348	3.2
391.11404	3.2
407.65952	2.0
408.13333	3.9
408.18405	2.7
408.23596	3.1
409.12500	5.6
409.18274	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22092	7.8
54.63571	8.3
60.90543	9.1
69.98143	16.3
69.98511	19.2
74.55253	7.6
77.95203	8.7
79.38192	8.3
89.36073	9.4
98.22758	10.1
110.94611	11.6
125.09726	8.1
127.43689	8.6
136.22572	9.2
137.09674	17.1
193.16006	10.1
231.72191	9.0
311.12173	36.4
372.76270	10.1
409.15555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.0
55.05491	10.5
61.02915	11.4
62.25575	2.9
65.45753	3.0
67.05502	14.9
69.03421	18.8
69.07054	5.2
69.99351	5.0
69.99689	5.1
70.06570	3.7
71.07390	3.1
79.05479	5.0
81.03391	10.2
81.07055	25.3
83.04970	5.0
83.08624	5.6
84.04499	5.5
85.02407	5.9
85.02899	100.0
87.04436	3.4
91.03923	5.0
91.05463	9.4
92.92549	3.3
93.07041	17.1
95.08587	38.2
97.02891	20.7
98.23343	5.4
105.07019	19.0
107.08587	19.1
109.02880	8.7
109.06490	4.4
109.10114	19.0
111.08051	5.4
111.11711	7.0
113.38619	2.9
119.08572	45.2
121.10120	27.5
123.08051	7.5
123.11697	9.6
125.09604	9.1
127.03891	27.1
131.08601	3.2
133.10109	19.6
135.11690	3.4
137.09596	8.3
139.11127	3.7
145.04936	46.7
147.11708	8.4
149.13223	14.0
162.02188	3.8
163.05994	11.0
175.14809	38.9
193.15877	32.5
233.07872	3.8
261.10730	5.6
311.12006	4.3
337.20078	6.1
408.23700	9.8
409.10980	30.9
413.42520	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	409.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52562	0.8
52.80536	0.9
54.91718	1.0
55.05505	1.1
56.96560	2.3
61.28876	1.0
65.00940	1.0
69.07062	2.1
69.97401	2.8
79.05514	1.8
81.07060	2.5
91.05484	1.9
93.07050	1.9
95.08583	2.3
97.06513	0.9
98.97596	4.1
105.07053	2.1
107.08587	1.3
109.10173	1.3
116.98612	2.3
119.08576	1.5
121.06468	1.2
131.08517	1.8
136.89986	1.0
143.03366	1.1
145.10130	2.0
147.11778	1.3
153.01776	4.5
155.08656	1.1
157.10109	1.3
161.01230	1.1
169.10205	1.8
170.99719	1.4
173.09715	1.3
173.13297	1.0
175.93695	1.1
178.43443	0.9
179.03806	1.5
183.11755	0.9
189.09021	1.3
197.13269	1.3
201.12918	1.0
201.16470	1.1
219.01779	4.3
219.05328	0.9
221.04756	1.3
237.02879	4.1
247.13129	0.9
263.05804	1.0
323.07990	6.9
341.09155	5.0
365.09601	4.5
391.26471	2.8
409.09692	28.7
409.18393	100.0
409.27414	11.3
410.09140	1.6
410.18588	4.5
410.27557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.4
69.03448	0.8
70.73991	0.5
79.91291	0.5
81.03434	0.9
81.07053	1.0
83.04991	0.7
85.02904	1.1
91.05460	0.9
95.04955	0.8
97.02868	0.6
105.07004	0.7
107.08600	0.6
109.02893	0.8
125.09640	0.6
127.03915	1.3
137.06017	0.9
143.99406	1.0
153.01820	6.6
153.02934	0.9
163.00052	1.0
199.02371	0.7
209.08656	0.5
227.05443	2.6
233.07838	10.1
275.08911	1.8
275.96478	0.6
293.12729	0.5
309.90454	0.5
409.11017	100.0
409.17682	3.1
410.11325	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	409.1367
Annotation	Trifloxystrobin
Peak:m/z	Relative Intensity
52.37408	0.8
71.43160	0.9
79.05519	1.2
80.55019	0.9
81.07072	1.9
89.03934	3.0
91.05467	4.9
95.08633	1.3
105.07043	2.8
116.04971	19.5
117.05771	4.5
118.06561	4.3
119.04944	1.1
130.05016	1.8
130.06535	3.5
131.07294	20.6
132.08099	9.9
134.06021	7.0
145.02585	38.4
146.02914	2.3
146.06003	9.2
147.06758	1.3
157.96155	1.1
161.04781	2.5
162.09209	1.7
163.03638	2.2
164.06528	1.0
173.03221	7.4
186.05246	100.0
187.05598	3.2
206.08110	21.7
429.55017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
55.05511	5.8
56.05032	0.9
56.05834	1.6
58.99580	3.5
67.05489	0.8
71.04962	0.7
71.42905	0.7
73.76471	0.6
74.38844	0.6
76.02219	1.9
76.03980	0.8
81.07056	0.7
83.06086	0.6
83.08604	5.2
84.04502	4.1
84.08942	2.1
85.02886	0.8
85.04781	0.8
86.99043	2.0
88.02189	0.6
93.92159	0.5
101.06006	0.5
101.98714	0.6
116.01672	8.1
117.02055	2.8
118.01231	1.2
127.03922	0.6
127.84234	0.7
129.06537	0.7
130.04921	1.3
133.74608	0.6
142.03212	0.9
144.01129	3.6
145.01459	0.8
153.01843	1.0
159.08350	3.3
160.08705	1.6
162.02182	13.1
163.02563	4.4
164.01723	1.4
182.33942	0.6
190.99728	0.6
191.67038	0.6
196.10033	0.6
198.07817	0.9
199.08656	3.0
200.09442	1.5
201.10162	1.1
210.07838	0.8
211.08659	5.1
212.09367	1.1
213.10207	2.3
215.08199	0.9
215.11789	1.8
217.09755	2.2
223.12230	1.1
224.09326	0.7
225.06570	1.8
225.10168	5.6
226.07323	0.6
227.08167	1.1
229.09705	2.0
231.11255	0.9
238.07286	1.1
239.08142	7.8
239.11687	5.4
240.08841	3.7
241.09680	6.0
241.13313	0.8
242.10486	1.1
243.07547	1.8
243.11258	7.7
253.06058	0.6
253.06995	0.6
253.09694	7.5
254.10524	1.4
257.09207	2.0
257.12842	1.8
258.09952	0.7
259.10831	3.2
260.11166	0.7
262.11118	3.9
263.11368	5.8
266.06747	0.9
267.07657	2.9
267.11292	7.2
268.08408	7.8
269.09012	1.1
269.12900	0.9
271.10736	32.6
272.11224	1.6
273.12247	1.9
275.10272	3.2
277.11920	3.6
280.14069	1.3
281.09177	1.9
282.10025	0.8
285.08673	2.2
285.12302	5.2
286.12967	0.6
287.13937	0.7
289.11859	2.1
295.10779	5.1
297.12357	0.9
299.10217	0.8
299.13748	1.1
300.10974	2.0
303.09808	0.9
303.13336	1.2
308.07700	0.7
313.11722	7.0
317.11368	2.3
318.12088	1.2
323.10236	8.9
324.10611	1.0
327.13263	1.2
331.12863	0.9
334.15021	2.3
335.12076	2.9
341.07169	1.0
341.11298	17.3
342.11661	0.9
345.14377	2.3
349.13919	0.9
350.14737	0.7
355.12744	4.2
359.12390	2.2
373.13901	12.3
374.14478	0.7
377.13068	0.6
391.14914	24.6
392.15329	1.3
405.48288	0.7
409.16006	100.0
410.16501	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97923	0.2
52.18267	0.2
54.34539	0.2
58.47227	0.3
69.07059	0.4
70.93770	0.4
80.03564	0.2
84.73750	0.2
91.05465	0.3
95.42944	0.2
96.65537	0.2
105.07015	0.3
119.08569	0.3
131.08603	0.2
138.60956	0.2
148.12386	0.2
180.81744	0.2
183.06554	0.3
409.18298	100.0
410.18658	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46427	0.3
69.53959	0.5
69.54360	0.6
85.25528	0.3
86.64905	0.3
98.22745	0.5
153.41943	0.3
259.02347	0.3
277.03494	0.7
311.12097	1.1
312.71838	0.3
313.08261	0.5
325.49069	0.3
331.09143	0.5
349.10114	0.5
409.18314	100.0
410.18710	6.5
410.72989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.03428	0.8
67.05505	3.6
69.07079	0.5
71.41813	0.5
78.71616	0.5
79.05500	1.3
81.07044	1.5
91.05468	1.1
93.07039	1.4
95.04988	0.6
95.08596	1.3
105.07005	1.2
107.08603	1.4
109.10145	2.0
121.10115	0.9
131.08571	0.6
135.11688	1.2
173.11745	0.7
295.15002	0.8
309.16714	0.5
338.76065	0.5
394.58261	0.6
409.25592	100.0
410.25873	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	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93972	0.4
67.05499	1.9
70.08191	0.5
70.08498	0.8
79.05498	0.8
80.81451	0.4
81.07064	0.7
91.05465	0.5
93.07048	0.9
105.07039	0.7
107.08599	0.5
109.10158	1.5
135.11723	0.5
145.49852	0.6
229.80797	0.5
241.52480	0.4
295.15143	0.7
298.24088	0.5
309.16632	0.7
310.16592	0.5
319.35443	0.4
342.27319	0.5
353.96021	0.4
409.25562	100.0
410.25928	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	409.2735
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03938	0.8
55.01859	0.5
55.05505	6.0
57.07057	0.6
59.04997	0.7
60.46934	0.4
65.03930	0.9
67.05498	17.3
67.05866	0.8
69.03416	1.4
69.07060	36.9
69.90511	0.7
69.90832	0.7
70.07384	0.6
70.29533	0.3
71.04984	0.8
79.05476	4.8
81.03416	0.4
81.07049	12.2
83.04964	1.2
83.08606	1.9
85.06540	1.8
87.04478	0.4
91.05476	5.3
93.07038	6.5
95.04950	2.1
95.08602	5.9
97.06518	7.9
97.10173	0.6
98.23495	0.5
99.08094	1.0
105.07014	9.2
107.04932	0.5
107.08574	5.1
109.06504	2.3
109.10145	31.4
110.10486	0.8
111.08096	0.9
111.11710	0.6
115.05465	0.8
117.06984	2.9
119.04964	0.5
119.08566	6.1
121.06515	2.7
121.10136	4.0
123.04417	0.5
123.08044	1.3
123.11673	1.3
125.09629	1.1
127.11164	0.8
128.06197	2.0
129.05455	0.5
129.06989	3.7
130.07759	1.4
131.08565	6.3
133.06445	0.9
133.10110	3.6
135.08040	2.0
135.11707	1.3
137.05931	1.2
141.06993	2.5
142.07759	2.2
143.08536	7.7
144.09352	0.5
145.06488	1.5
145.10110	10.9
147.08049	3.1
147.11655	2.3
149.09590	1.4
149.13202	0.7
153.06993	1.4
154.07758	0.9
155.08540	7.4
156.09273	1.7
157.06430	0.6
157.10100	4.6
158.07272	1.4
159.08025	2.5
159.11632	3.5
161.09589	2.9
161.13260	1.8
165.07010	2.4
166.07718	0.5
167.08554	2.9
168.09326	1.9
169.06519	0.4
169.10115	7.6
170.10844	0.6
171.08034	7.1
171.11642	3.5
172.08589	0.6
173.09604	9.5
173.13269	2.3
175.11156	0.4
175.14914	0.5
178.07797	1.4
179.08530	3.7
179.14314	0.6
180.09326	1.5
181.10104	5.2
182.10901	2.7
183.08047	3.0
183.11639	5.8
184.08719	0.5
185.09637	2.8
185.13193	2.2
187.11177	1.6
187.14796	0.7
189.09155	2.4
191.08583	1.2
191.10623	7.4
192.09346	1.8
193.10115	6.9
194.10826	1.6
195.08066	1.8
195.11667	6.7
196.08737	0.8
196.12450	1.9
197.09592	5.8
197.13252	10.0
197.15060	0.6
198.10258	0.9
198.13707	1.2
199.11201	5.0
199.14767	1.3
200.11658	0.5
201.12796	1.2
201.16342	4.5
203.08525	1.1
204.09369	1.0
205.10146	2.0
205.11832	0.5
206.10831	1.6
207.08223	1.0
207.11711	5.0
208.08847	0.8
208.12401	1.2
209.09775	4.4
209.11624	1.4
209.13338	4.8
210.10378	1.6
210.13867	0.8
211.11171	5.8
211.14705	2.8
212.11893	1.7
213.12695	5.3
213.16319	0.6
214.13181	0.6
215.08492	0.7
215.14265	0.8
216.09282	0.6
217.10136	1.6
218.10924	1.7
219.08115	0.5
219.11661	3.8
220.08823	0.5
220.12468	1.3
221.09671	2.9
221.13223	5.6
222.10379	0.7
222.13829	0.9
223.11148	4.4
223.14667	2.9
224.11879	1.5
225.12721	12.2
225.16313	1.1
226.13280	1.2
227.14262	1.1
227.18039	0.6
229.10130	0.9
229.12234	0.9
230.10860	1.3
231.11688	2.1
231.13770	1.0
232.12440	1.2
233.09630	1.7
233.13185	3.8
234.10437	0.5
234.13847	0.9
235.11121	2.0
235.14774	7.4
236.11945	1.2
236.15346	0.7
237.12750	5.1
237.16333	1.5
238.13292	0.8
239.14259	7.9
239.18069	1.0
240.14676	0.5
241.12302	0.7
241.15823	0.7
242.10870	0.6
243.11708	1.0
243.13808	1.0
244.12408	0.7
245.13243	2.0
245.15436	0.5
246.13965	1.2
247.11000	1.9
247.14777	3.5
248.11958	1.3
248.15689	0.6
249.12669	4.5
249.16463	2.6
250.13484	1.9
251.14273	3.4
251.17935	1.0
252.15050	0.8
253.15802	3.7
253.19482	3.9
255.17424	4.5
257.13126	0.9
257.15497	1.0
259.11160	0.6
259.14844	1.6
260.15454	0.7
261.12793	1.3
261.16299	3.0
262.13449	0.6
263.14243	4.7
263.18042	1.9
264.14969	1.4
265.15857	5.1
265.19336	0.7
266.13309	1.0
266.16232	0.7
267.13727	1.7
267.17398	1.9
271.14737	1.0
273.12613	0.8
273.16330	1.3
274.16995	0.7
275.14148	1.6
275.18109	1.0
277.12924	0.6
277.15869	3.3
277.19278	1.0
279.14005	0.8
279.17401	2.4
281.15338	4.8
281.18964	3.3
282.16132	3.6
283.16882	6.9
284.17624	0.7
285.16464	0.7
287.16672	0.6
289.15900	1.5
289.19287	0.9
291.13806	0.6
291.17371	1.5
292.14206	0.6
293.15338	2.4
293.18976	1.4
295.17194	0.7
295.20578	2.5
297.18512	1.1
299.16293	8.2
300.17047	2.8
301.17960	8.8
302.16714	0.8
303.17316	1.0
305.15543	0.9
305.18982	1.4
305.22400	0.4
307.16913	2.3
307.20193	0.7
309.18564	1.1
311.16397	1.5
311.20050	2.3
313.17975	2.0
313.21625	3.3
315.20578	0.5
317.19073	2.2
317.22412	0.7
321.18451	1.4
321.21899	0.7
322.19437	0.7
323.19977	2.0
323.23709	2.8
325.17957	4.7
326.18631	0.6
327.19455	3.4
328.20251	0.5
333.22070	0.9
335.19968	5.5
335.23706	1.8
336.20639	0.6
339.19482	3.5
340.20367	0.9
341.20935	1.6
345.25821	0.5
347.23849	0.5
351.19315	0.6
351.23166	1.4
353.21042	10.4
354.21823	4.4
355.24185	0.9
361.21600	0.6
367.22534	0.7
373.25214	3.4
391.26257	9.4
392.26529	0.9
394.24960	0.7
409.27313	100.0
410.27609	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50856	2.3
51.05135	2.3
53.03922	3.0
55.01884	2.6
55.05503	21.7
57.07061	8.9
57.69791	2.2
58.32382	2.3
59.04984	3.6
63.52872	2.3
65.03938	3.6
65.74834	2.1
67.05492	27.8
69.03416	7.4
69.07052	10.6
70.50353	2.6
70.50690	4.6
77.00165	2.3
77.03911	4.5
79.05470	21.3
81.07050	34.5
82.37904	2.4
83.04970	6.2
83.08620	2.8
91.05467	41.7
93.07037	52.1
94.07350	2.6
95.04959	50.9
95.08589	32.6
97.06519	7.8
97.10168	3.2
105.04477	3.5
105.07017	100.0
105.85824	2.3
107.08580	25.0
108.05791	2.7
109.06532	13.1
109.10146	8.5
111.08057	6.8
116.06221	2.8
117.06985	12.6
119.08562	63.2
121.06505	16.1
121.10143	18.6
123.08062	20.8
128.06195	4.0
129.06984	7.2
130.07756	4.0
131.08546	22.5
133.06447	7.0
133.10114	20.6
135.08061	17.6
137.09576	7.4
141.06953	3.1
142.07738	15.2
143.08548	15.7
144.09329	3.3
145.06412	3.5
145.10109	34.4
147.08043	20.1
147.11676	37.0
149.09624	13.2
151.07567	15.7
152.07750	3.2
153.06976	3.4
153.09096	2.8
154.86028	2.3
155.08556	6.6
156.09338	5.6
157.10146	16.6
159.07996	7.0
159.11658	14.9
161.09566	5.8
161.13152	7.2
163.11156	3.3
165.09103	39.7
167.08594	3.5
168.09312	4.3
169.03952	2.6
169.10112	7.5
171.11658	8.1
173.09650	5.5
173.13216	7.0
175.11198	26.5
177.09157	5.6
182.48241	2.6
183.11676	9.7
185.09660	3.1
185.13213	5.1
187.11143	3.3
189.12729	8.0
195.11665	4.7
199.11188	3.5
201.12721	7.5
203.14346	15.1
207.11705	3.9
207.13710	8.8
211.11205	2.9
211.14732	5.5
213.12868	2.9
219.13699	4.3
221.13216	4.5
221.15344	71.1
229.15964	6.4
233.15369	4.5
234.16071	12.3
235.14667	3.1
265.25168	5.5
286.19287	5.0
287.19839	5.0
300.20782	5.2
329.21042	4.7
334.84824	3.2
335.20325	2.7
338.62259	2.5
376.11069	2.7
392.31525	9.9
409.17477	3.2
409.27328	38.8
410.27667	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94884	2.1
55.01859	4.3
55.05507	22.6
57.07070	11.2
57.70333	2.3
59.04990	5.8
65.57336	2.3
67.05502	24.7
67.06229	2.5
69.03413	7.0
69.07065	10.3
69.16279	15.8
71.08621	3.2
79.05487	30.8
81.07044	37.5
83.04984	4.9
85.06548	6.5
89.06024	7.3
91.05472	38.0
93.07040	53.7
94.04189	3.5
95.04951	47.2
95.08608	34.2
97.06536	11.2
99.60581	2.2
103.05505	4.2
105.04477	2.7
105.07019	100.0
107.08577	25.6
109.06496	12.9
109.10153	20.1
111.08031	3.0
115.05508	3.1
117.06990	14.6
119.08578	69.6
121.06483	17.9
121.10137	14.7
123.08051	22.5
128.06226	6.1
129.07010	6.1
130.07780	4.9
131.08575	28.0
133.06505	6.1
133.08597	3.6
133.10115	20.6
134.68407	2.8
135.00638	2.6
135.08058	14.5
135.11699	4.4
137.09625	9.1
141.06987	5.4
142.07796	12.4
143.08553	19.8
144.09315	3.4
145.06462	6.1
145.10098	38.9
145.11180	2.8
147.08025	13.2
147.11668	29.7
149.09651	9.5
151.07529	29.2
155.08511	12.1
156.09308	7.6
157.10120	20.1
159.07988	4.0
159.11699	16.7
161.09628	12.4
161.13286	7.2
163.11169	5.4
165.09120	30.1
167.08548	3.3
168.09303	5.4
169.10141	11.0
170.10860	4.9
171.11674	10.8
173.09641	3.6
173.13234	8.1
174.10558	2.8
175.11191	15.2
177.09187	7.4
181.10103	5.4
181.12189	2.5
183.11699	15.5
185.09650	3.0
185.13329	4.3
187.11235	3.5
189.12762	7.3
191.14270	3.3
194.10896	3.0
195.11620	4.7
196.12437	3.3
197.13258	3.5
201.12785	7.8
201.16412	5.4
203.14258	11.4
207.13823	8.8
209.13390	3.4
209.15321	3.1
211.14804	7.9
213.12753	3.1
219.13754	5.8
221.15340	54.5
222.15692	3.6
223.14799	2.8
225.16422	2.8
229.15805	4.8
234.16072	10.0
239.14784	3.2
256.02087	3.7
287.20038	6.7
329.21152	5.4
391.26315	6.8
409.27374	54.0
409.33914	6.0
410.27737	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39160	3.6
53.03944	6.5
55.01876	3.3
55.05500	19.5
57.07066	7.6
57.12535	3.0
61.74513	3.5
67.05503	21.2
69.03423	7.2
69.07067	3.5
69.15898	6.3
69.16312	15.1
79.05481	19.7
81.07041	32.7
85.06516	5.0
91.05467	47.8
93.07037	43.3
95.04967	59.1
95.08602	24.7
97.06524	9.1
98.30939	3.7
98.40849	3.8
102.19310	3.8
103.05482	4.9
105.06346	6.6
105.07020	100.0
106.07292	4.1
107.08585	29.1
109.06506	15.6
109.10181	4.7
115.05482	3.9
117.07000	13.1
117.84273	3.5
119.08575	67.9
121.06516	22.4
121.10136	12.5
123.08073	18.3
128.06198	4.6
129.06969	7.5
130.07791	5.6
131.08569	21.2
133.06451	7.2
133.10129	14.8
135.08041	14.2
137.09618	12.6
141.06966	4.3
142.07739	9.3
143.08540	13.6
145.10117	38.8
147.08037	18.4
147.11673	35.0
149.09587	13.0
151.07579	23.2
154.04654	3.3
154.94287	3.2
155.08522	8.3
156.09346	7.4
157.10054	19.1
158.10649	4.0
159.08119	5.9
159.11693	13.0
161.09581	4.2
163.11107	3.8
165.09105	38.3
167.08540	4.5
169.10069	9.7
171.11673	7.8
173.13257	4.5
175.11172	18.3
177.09102	5.2
183.11688	15.4
187.11084	4.2
191.14230	3.4
195.11809	5.6
201.12706	10.4
203.14340	14.6
207.13696	7.9
209.13377	4.8
211.14934	4.3
219.13959	3.3
221.13229	6.4
221.15350	80.2
225.12704	3.5
229.15929	5.6
234.16127	13.3
300.20837	4.1
312.56638	3.8
321.66647	3.2
329.21021	6.1
391.26349	4.5
409.27188	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
55.05505	20.5
57.07072	9.2
59.04991	4.9
60.96164	2.6
63.51689	2.4
67.05505	24.0
69.03429	9.2
69.07066	10.0
69.42027	10.3
77.03941	2.6
79.05484	23.5
81.07050	34.9
83.04984	6.1
91.05473	33.3
93.07037	43.5
95.04964	49.4
95.08604	38.4
97.06522	11.1
105.04546	2.9
105.07024	100.0
106.07342	3.5
107.08593	23.7
109.06510	16.3
109.10180	10.0
115.05476	4.3
117.07011	16.5
119.08581	62.4
121.06474	13.8
121.10113	18.6
122.69114	2.7
123.08062	20.1
123.11655	2.9
128.06189	5.2
129.07005	11.2
130.07758	4.5
131.08557	23.9
133.06499	3.8
133.10118	19.1
135.08070	20.0
135.11697	7.4
137.05981	2.4
137.09647	11.2
137.13290	2.2
141.06900	4.3
142.07747	13.7
143.08554	18.4
144.09366	4.4
145.10115	41.0
147.08008	16.0
147.11681	38.5
149.09599	11.5
149.13225	3.4
150.07491	2.2
151.07503	21.5
153.07047	3.9
155.08536	7.8
156.09344	5.7
157.10101	23.4
159.08060	6.9
159.11696	15.5
161.09641	9.6
161.13304	7.1
163.11191	6.3
165.09109	33.5
167.08522	4.6
168.09346	5.8
169.10130	12.1
171.11696	12.6
173.09663	4.3
173.13274	6.6
175.11191	23.1
175.14807	4.1
177.09093	3.7
179.08601	2.8
181.10095	5.4
181.12279	3.8
182.10951	3.4
183.11688	8.9
185.13300	6.8
187.11197	4.7
187.14899	3.6
189.12712	7.8
189.16476	2.5
191.14159	3.5
195.11710	3.0
195.13765	5.2
197.13124	5.3
199.11278	3.0
199.14841	2.3
201.12677	13.0
201.16475	4.5
203.14278	20.0
205.15932	3.9
207.13847	10.1
209.13354	4.6
209.15398	5.8
211.14859	7.0
219.13834	3.8
221.13257	4.8
221.15352	69.6
222.15784	3.5
223.14897	2.9
229.15810	5.4
231.13792	3.3
233.15359	3.6
234.16179	15.2
254.37477	2.5
286.19257	2.9
287.20123	8.2
300.20752	4.8
329.21249	5.3
391.26218	8.2
409.27295	63.2
409.34442	12.2
410.27536	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	409.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03745	0.6
53.03944	5.6
55.01866	11.2
55.05505	14.4
57.03431	5.7
57.06815	1.1
57.07069	14.1
58.75653	0.7
67.05486	3.5
69.07060	28.0
69.88714	1.2
69.89052	0.8
71.08627	12.0
72.09832	0.8
79.05492	0.8
81.02962	1.1
81.03412	12.6
81.07041	4.0
83.08118	1.2
83.08609	20.8
83.09376	0.9
85.10171	5.8
93.07028	1.2
95.04940	1.3
95.08591	5.4
97.10155	12.0
98.23087	2.2
99.04445	1.3
99.11756	0.8
105.07032	1.1
107.08570	1.2
109.02862	32.1
109.06548	1.2
109.10133	4.7
110.03237	0.8
111.11691	6.7
112.99980	1.1
115.03922	9.9
117.07072	0.8
121.06480	1.1
121.10143	0.8
123.04408	1.9
123.08018	0.7
123.11664	1.8
125.13269	3.8
127.03899	100.0
128.04247	1.6
139.14760	1.6
141.05450	6.1
149.09573	1.6
150.98528	0.7
151.11121	0.9
155.07010	2.5
159.69800	0.8
164.56277	0.7
169.08562	5.4
183.10150	15.7
184.10509	0.7
195.10158	4.7
197.11731	6.7
209.11722	3.4
211.13284	5.1
223.13232	2.5
225.14847	5.2
237.14807	3.3
239.16412	7.2
240.16699	0.8
251.16426	4.3
253.17934	9.2
265.17953	5.3
267.19446	4.2
279.19473	5.2
281.21054	4.9
285.20526	0.9
293.21118	2.5
295.22635	2.7
307.22678	2.2
309.24121	3.7
321.24231	2.5
335.25711	1.6
391.26953	1.4
391.32001	29.5
392.32349	3.1
409.33231	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05503	9.2
57.07042	2.9
65.03926	1.1
67.05492	21.8
69.03408	0.7
69.06706	1.0
69.07059	17.6
69.48581	3.6
71.04956	1.3
73.78937	0.7
79.05040	1.1
79.05481	15.0
81.07052	26.8
82.07381	1.0
83.04948	1.6
83.08603	8.4
91.05466	12.2
93.07034	31.3
94.07381	1.2
95.04936	3.1
95.08598	63.5
96.08921	1.0
97.06517	1.3
97.10144	4.9
99.08022	0.8
100.50224	0.8
101.48004	0.7
105.07018	24.3
107.08582	54.5
108.08891	1.7
109.06487	1.9
109.10149	34.1
110.10429	0.9
111.08101	1.1
111.11639	1.7
117.06978	3.3
119.06025	0.6
119.08569	26.5
121.06487	1.5
121.10134	42.8
122.10439	2.7
123.08053	1.5
123.11694	8.4
125.09580	0.8
131.08578	6.0
133.10114	27.8
134.10451	1.1
135.08096	4.4
135.11674	18.2
137.13216	2.2
143.08534	2.2
145.10117	12.3
147.11673	19.4
148.12112	0.7
149.09581	1.2
149.13240	35.6
151.11218	1.0
157.10098	2.5
158.10925	1.2
159.11659	7.4
160.18559	0.7
161.12054	1.5
161.13255	13.2
163.11163	14.4
163.14803	23.2
164.15114	1.3
165.12662	0.7
165.16409	0.9
171.11604	1.9
173.11729	1.0
173.13228	3.9
174.13948	0.7
175.11174	2.1
175.14801	21.9
177.12851	3.8
177.16365	39.0
178.16721	1.9
185.13245	2.2
187.14781	15.4
188.15237	0.8
189.16376	16.7
191.14250	1.1
191.17906	9.8
192.14775	0.8
199.14816	1.7
201.16391	6.8
203.17928	100.0
204.18327	4.9
205.15855	57.8
205.19423	5.9
206.16202	2.6
207.17447	1.0
213.16345	2.1
215.17921	3.4
217.19466	3.0
219.17377	6.8
220.51801	0.7
227.17934	1.2
229.19504	1.9
231.17442	5.3
231.21031	1.6
233.19003	1.6
239.17982	0.8
241.19466	1.6
243.20940	1.0
245.19012	0.9
255.20879	1.5
257.23047	0.8
269.22586	1.1
271.20419	1.8
333.90256	0.8
363.44958	0.8
381.34854	3.4
391.33533	7.2
392.33759	1.1
409.25912	2.4
409.34613	66.1
410.34964	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.1
57.07059	3.6
59.41728	1.2
60.04256	1.4
67.05511	12.8
69.07063	13.3
70.21661	1.3
70.92641	2.3
71.08672	1.7
75.22904	1.4
79.05479	10.1
81.07051	29.7
83.08600	5.3
89.06007	1.7
91.05476	8.7
93.07042	31.0
95.04984	2.4
95.08602	35.1
97.06537	2.3
97.10181	2.0
105.07019	20.7
105.07636	2.0
107.08588	42.1
109.10145	16.7
111.08064	2.2
117.07009	3.7
119.08585	23.3
121.10137	27.0
123.08092	2.1
123.11726	6.4
129.06982	2.3
131.08588	7.1
133.10124	18.4
135.11681	18.1
137.13281	7.6
143.08546	7.7
145.10100	16.9
147.11682	20.5
149.13235	37.8
155.08588	2.0
157.10115	8.0
158.10921	1.6
159.11674	12.1
161.13272	8.1
163.14810	38.1
171.11703	6.7
173.13254	10.7
175.14815	11.0
177.16414	6.6
179.14272	2.2
185.13287	7.4
187.14821	9.5
189.16331	10.2
197.13300	3.0
199.14851	6.4
201.16417	4.7
203.17900	15.6
211.14816	3.3
213.16408	5.8
215.17923	18.3
219.17354	1.3
227.17891	8.1
228.18820	2.7
229.19511	10.4
239.17821	2.1
240.18993	1.9
241.19479	9.6
242.20068	1.9
243.21094	6.7
248.73050	1.5
255.21056	19.4
256.21463	1.6
257.22665	4.7
259.20645	4.5
267.21136	2.2
269.22653	12.8
285.22128	13.4
295.24203	2.0
373.60486	1.7
391.33548	8.9
409.34637	100.0
410.35086	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	410.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.0
57.07076	35.3
67.05496	2.3
69.03411	1.5
69.07067	1.8
69.59800	1.2
69.60139	5.0
71.08625	23.7
73.06549	5.5
79.05499	2.7
81.07047	4.2
82.07312	1.3
85.10176	16.0
87.04474	1.9
87.27537	1.3
89.06026	100.0
90.06376	2.4
91.05502	3.0
93.07053	4.6
95.04957	5.6
95.08590	2.9
97.10164	2.1
98.22701	1.2
99.11727	3.1
105.07027	9.7
106.07347	3.5
107.07040	2.1
107.08595	1.7
108.08908	1.5
117.09144	1.3
119.08550	5.7
120.08900	3.5
121.10136	1.2
123.08087	3.0
124.21988	1.2
131.08607	1.3
132.08989	1.4
133.08601	41.0
133.10138	2.0
134.08957	1.6
134.47813	1.3
135.08060	1.3
141.06982	1.2
143.08572	1.7
145.10168	2.5
146.10439	2.1
147.11682	2.0
148.12000	1.6
151.07588	3.2
151.09637	3.1
155.17906	2.8
158.10564	1.2
165.09125	3.5
166.09425	2.3
169.09987	1.7
170.10405	1.6
176.11508	1.4
176.49547	1.3
177.11160	6.5
195.12158	2.0
199.20569	2.8
203.14432	1.3
221.15425	1.7
222.15747	5.5
235.16544	1.2
239.14845	21.6
243.23164	3.7
287.25766	2.6
393.32004	15.2
410.27597	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	411.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84380	0.6
70.72597	1.0
72.53366	0.5
97.36514	0.6
101.08117	0.5
103.83641	0.5
162.02855	2.3
163.03712	0.9
185.04137	0.9
227.05254	2.2
271.04248	3.1
325.08881	5.1
349.08994	1.3
367.09970	34.3
368.10199	1.4
379.93741	0.6
411.08914	100.0
412.09256	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	411.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72159	0.7
64.77108	0.6
69.03411	1.2
69.35928	0.7
70.71851	1.1
71.04984	1.3
79.05514	1.0
82.06637	0.7
85.02862	2.0
89.06019	0.9
93.07022	0.6
118.63538	0.7
145.86121	0.7
153.01787	2.6
165.23776	0.7
166.85808	0.9
170.15329	1.4
185.05879	0.9
187.04193	1.0
193.96410	0.7
229.20566	0.8
248.18518	2.1
249.18997	1.1
263.27994	0.8
296.04947	1.1
313.07645	1.0
411.08835	100.0
412.09198	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	411.105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75378	8.5
56.52193	7.5
60.92693	7.2
67.05473	8.1
69.03412	19.1
71.42916	8.0
72.81856	6.9
73.66973	7.6
81.03391	12.1
81.07036	7.1
85.02892	38.1
85.06549	7.6
93.07082	9.1
97.02876	18.5
103.05408	14.3
109.02849	8.6
125.02325	7.4
127.03889	13.7
128.07097	13.0
131.04958	17.3
136.06175	100.0
153.01828	22.6
163.05818	13.8
175.05943	8.5
197.06096	8.9
230.17613	9.8
248.18471	14.5
249.03876	10.4
299.01740	13.4
311.01480	18.0
313.03464	22.4
315.01318	31.4
328.99265	20.7
337.03238	8.2
339.01303	27.5
341.02795	16.3
355.04663	8.9
357.02435	9.4
365.03165	13.9
367.00842	19.0
383.03735	9.7
393.02521	11.6
411.03680	38.3
411.10428	57.1
411.15240	9.3
411.20227	16.4
438.82895	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	411.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46734	1.3
71.41548	1.4
90.03468	1.3
141.80148	1.5
151.38774	1.4
157.63536	1.4
185.04196	4.2
189.05240	4.6
189.70424	1.6
249.07423	10.2
271.04211	2.6
287.22015	1.6
325.08954	3.0
364.17346	1.3
367.10013	21.6
411.08618	34.7
411.12576	100.0
412.08426	3.0
412.13025	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	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79164	0.4
53.03945	0.6
55.01870	0.5
57.03416	0.4
61.98981	0.4
62.56639	0.4
68.02713	0.4
69.03427	1.1
69.24595	2.2
71.65891	0.4
78.54350	0.4
81.03438	0.8
85.02885	2.1
87.00803	0.4
88.89050	0.4
95.04951	1.1
97.02877	1.0
98.06056	0.6
98.22721	1.1
98.23399	1.1
103.05459	7.3
109.02902	0.7
127.03896	1.6
131.04919	13.7
131.05893	0.9
132.05241	0.5
137.06032	0.4
145.06480	0.8
153.01794	2.3
160.05225	0.7
163.00021	0.4
163.07535	4.4
163.99559	0.4
173.05916	0.5
175.07520	2.4
249.03909	0.6
249.11000	1.3
253.08495	0.5
271.09427	0.4
282.67285	0.5
315.01358	0.9
346.99484	0.5
386.61859	0.5
411.16199	100.0
412.16486	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	411.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87798	3.8
55.93647	3.8
55.97571	3.4
59.05001	52.5
70.50945	8.2
81.03403	6.1
85.06541	4.5
97.02872	4.1
98.22708	4.8
101.05987	17.5
103.07571	5.0
109.02880	7.0
115.03899	20.5
127.03918	5.7
129.04555	8.3
129.05466	100.0
131.04893	11.9
147.06532	23.8
163.07463	4.8
273.09622	4.8
411.16022	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
67.05495	0.4
69.03408	0.3
69.07058	1.2
79.05478	0.4
81.07041	0.6
85.02912	0.3
87.88871	0.2
91.05453	0.6
93.07027	0.7
95.04962	0.4
95.08589	0.8
97.06536	0.5
105.07030	0.8
105.73527	0.3
107.04981	0.2
107.08577	1.0
109.06514	0.3
109.10154	0.3
117.07070	0.3
119.08564	0.5
121.06527	0.4
131.08582	0.3
133.10156	0.2
135.08031	0.3
137.05951	0.3
143.08510	0.5
145.10072	0.4
147.07983	0.4
149.13260	0.3
155.08519	0.3
159.08020	0.4
159.11703	0.4
161.09641	0.4
171.11676	0.3
173.09688	0.3
175.11116	0.5
187.11029	0.2
197.13315	0.3
203.14156	0.3
215.14417	0.3
227.14191	0.3
233.15308	0.4
249.14487	1.3
253.10237	0.2
267.17456	0.3
285.18500	0.3
337.21237	0.3
372.07404	0.2
393.23090	0.3
393.27676	0.8
411.19843	100.0
411.28824	3.9
412.20151	7.2
412.25378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05500	0.3
67.05495	0.4
69.03408	0.3
69.07058	1.2
79.05478	0.4
81.07041	0.6
85.02912	0.3
87.88871	0.2
91.05453	0.6
93.07027	0.7
95.04962	0.4
95.08589	0.8
97.06536	0.5
105.07030	0.8
105.73527	0.3
107.04981	0.2
107.08577	1.0
109.06514	0.3
109.10154	0.3
117.07070	0.3
119.08564	0.5
121.06527	0.4
131.08582	0.3
133.10156	0.2
135.08031	0.3
137.05951	0.3
143.08510	0.5
145.10072	0.4
147.07983	0.4
149.13260	0.3
155.08519	0.3
159.08020	0.4
159.11703	0.4
161.09641	0.4
171.11676	0.3
173.09688	0.3
175.11116	0.5
187.11029	0.2
197.13315	0.3
203.14156	0.3
215.14417	0.3
227.14191	0.3
233.15308	0.4
249.14487	1.3
253.10237	0.2
267.17456	0.3
285.18500	0.3
337.21237	0.3
372.07404	0.2
393.23090	0.3
393.27676	0.8
411.19843	100.0
411.28824	3.9
412.20151	7.2
412.25378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05509	1.4
57.07032	0.3
58.49404	0.2
67.05493	1.2
69.03421	0.9
69.07070	1.3
69.83696	0.5
69.84056	0.4
71.04976	0.4
78.33297	0.2
79.05486	1.3
81.03405	0.6
81.07055	1.5
83.04970	2.1
83.08605	0.7
85.02891	0.6
85.06515	0.3
87.00800	0.3
87.88027	0.3
91.05463	0.9
93.07038	1.8
95.04957	0.3
95.08591	0.8
97.02843	0.4
97.06525	0.6
98.22752	0.5
99.04465	0.3
101.06036	0.4
105.01836	0.2
105.07017	1.4
107.08588	2.2
109.06535	0.3
109.10140	1.6
111.08054	0.3
115.99037	0.2
117.07021	0.6
119.08559	0.9
121.06509	0.4
121.10134	1.4
123.08009	0.2
123.11703	0.5
125.09624	0.4
127.11131	0.3
129.07027	0.4
131.08568	1.4
133.10123	0.8
135.11667	0.4
137.05937	0.7
142.07751	0.2
143.08548	0.8
145.10126	1.3
147.07979	0.4
147.11674	0.5
149.09624	0.4
149.13223	0.3
151.11183	1.0
155.08594	0.4
157.10092	0.8
159.08067	0.5
159.11699	0.9
161.13258	0.4
167.14276	2.7
169.10130	0.4
171.08052	0.4
171.11691	0.3
173.09630	0.8
173.13217	0.6
175.11130	0.5
179.08542	0.3
183.11642	0.4
185.09546	0.5
185.13232	0.5
187.11160	0.5
187.14886	0.3
189.08969	0.3
191.10645	0.5
195.11716	0.6
197.13269	0.3
199.14774	0.5
201.12732	0.4
203.05310	1.1
209.13454	0.4
209.15343	1.4
211.11201	0.3
213.12743	0.4
231.13652	2.2
239.14406	0.2
241.15906	0.3
249.14606	2.2
267.17377	0.4
271.16888	0.4
283.16901	0.5
285.18536	0.8
286.19241	0.9
287.16351	0.6
291.15771	0.5
335.93695	0.3
355.22665	0.4
375.26520	0.5
393.27744	1.3
396.26874	0.3
411.19846	100.0
411.28842	8.7
412.20197	6.6
412.28983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1986
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.32097	0.3
52.67613	0.3
53.79292	0.4
55.01889	0.4
61.63256	0.4
63.89808	0.3
69.03433	0.8
69.82731	0.4
70.74349	0.6
73.65639	0.4
76.61163	0.3
85.02890	0.8
87.13213	0.3
101.97559	0.3
127.03928	0.5
136.44272	0.3
147.09229	0.4
151.07516	0.4
153.01900	0.4
162.17897	0.4
163.03923	0.5
203.05223	4.1
206.98123	0.3
227.08313	0.4
231.13640	1.5
233.59268	0.4
297.72443	0.3
328.99362	0.5
341.03241	0.6
353.15698	8.6
393.12979	0.4
411.19916	100.0
412.15689	0.9
412.20340	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	411.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01874	5.0
55.68730	1.5
57.03436	3.7
57.07068	2.2
61.02917	6.4
67.05494	3.4
69.03424	23.4
69.62547	5.2
71.04996	2.8
73.02911	2.2
81.03405	9.2
85.02405	2.8
85.02897	36.1
87.94614	1.8
91.05460	11.1
95.04947	8.0
97.02880	15.4
98.22702	1.9
99.04440	2.5
105.07017	18.3
107.08597	2.2
109.02887	3.1
114.69466	1.7
115.05447	3.0
117.07014	8.5
119.04900	1.7
119.08587	17.4
123.04411	2.5
127.03890	6.7
128.06213	13.1
129.07011	6.8
130.07803	4.6
131.08586	7.9
133.06503	2.8
133.10110	8.6
141.06985	1.7
142.07791	4.7
143.08543	52.0
143.09624	3.3
145.04965	5.7
145.06497	7.3
145.10118	17.1
146.07268	2.2
146.10419	1.7
147.08035	100.0
147.11740	3.2
148.08398	4.1
155.08559	3.1
156.09326	2.5
157.06444	2.3
157.10085	10.6
158.07352	3.8
159.08005	8.6
159.11760	3.6
160.08827	7.6
161.09602	79.4
161.55753	1.7
162.09946	4.4
165.40619	1.9
170.10928	6.4
171.08058	6.9
173.09607	15.1
174.06773	7.2
175.07532	45.9
175.11127	2.8
175.14807	14.9
176.07950	1.8
185.13240	16.9
187.11171	2.6
187.14790	3.1
189.09106	21.8
189.12636	1.8
191.10661	4.5
195.11659	3.5
203.05295	3.0
203.14299	69.2
204.14690	3.5
213.12778	12.7
231.13777	52.1
231.16039	3.6
232.14177	4.4
249.14790	9.4
305.54221	1.8
353.15588	7.0
411.19876	80.5
412.20221	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	411.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	1.1
55.05505	4.1
57.03415	1.2
59.94712	0.9
67.05495	7.8
69.03406	1.6
69.07061	12.7
70.78371	1.5
79.05477	7.2
81.03403	1.7
81.07043	19.1
83.04962	2.0
83.08610	2.5
85.02902	2.1
85.06529	1.1
90.65181	0.8
91.05470	12.8
93.07037	14.8
95.04970	2.7
95.08595	9.9
97.02871	0.9
97.06504	3.9
99.04418	1.0
105.07014	14.8
107.08575	12.7
109.06528	5.5
109.10142	15.9
111.08072	2.0
112.82365	0.9
115.05471	0.9
116.06241	1.8
117.06999	4.9
119.08575	11.1
121.06500	2.4
121.10126	6.0
123.08067	1.8
123.11696	6.9
127.03871	1.3
128.06192	3.2
129.06978	5.6
130.07791	1.4
130.51694	1.0
131.08549	29.6
133.10121	7.9
135.08017	1.1
135.11678	3.6
137.05971	4.6
141.06978	1.7
142.07730	3.3
143.08537	11.4
145.06406	1.1
145.10100	16.5
147.08035	3.3
147.11633	5.3
149.09615	2.2
149.13269	1.6
153.01823	1.1
155.07101	1.9
155.08592	3.6
157.06476	1.0
157.10085	10.7
158.10828	0.9
159.08055	14.9
159.11679	6.5
159.12746	0.8
161.09593	2.5
161.13232	5.8
163.03862	1.0
165.07063	1.4
166.07794	1.0
167.08556	2.2
169.10168	3.7
170.10896	2.1
171.08015	2.5
171.11653	5.1
173.09610	5.1
173.13240	6.2
175.11206	1.5
175.14839	1.4
177.09082	2.6
179.08685	1.4
179.14267	7.4
180.09286	1.6
181.10121	2.2
182.10744	1.8
183.11697	2.7
184.08672	1.0
185.09645	2.7
185.13219	7.0
187.11270	1.3
187.14783	4.5
189.09122	1.8
191.10663	1.3
192.09384	1.1
193.10165	1.3
195.11714	2.9
196.12256	1.1
197.13266	2.6
198.10406	1.3
199.11189	3.4
199.14790	12.2
201.12662	3.9
201.16466	1.4
203.05225	23.4
203.10475	1.1
203.14363	2.1
208.12393	1.1
209.13316	2.2
211.11253	1.9
211.14772	1.8
212.15431	1.3
213.12738	7.2
213.16408	1.4
221.09735	1.0
223.14772	1.6
225.12743	2.7
225.16255	1.2
227.14383	2.5
231.13815	3.3
235.14870	1.8
237.16472	1.0
239.14313	2.5
241.15874	0.9
249.07758	1.2
249.14812	1.8
251.14366	2.1
255.21098	6.4
257.15295	2.0
259.09738	1.3
259.16986	1.4
269.15341	3.4
275.16791	1.0
277.18039	1.8
283.16898	1.6
287.16388	24.9
296.64551	0.8
301.18063	3.9
302.18872	0.9
323.20154	1.2
327.19409	2.1
337.21786	2.7
341.21219	2.3
342.21915	1.5
343.22614	2.9
355.22632	8.6
375.26736	1.6
381.18787	56.4
382.19217	4.1
393.27719	7.5
396.26489	1.1
406.19186	1.1
411.19885	100.0
411.28625	64.8
412.20340	5.9
412.29324	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	411.2002
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
53.03951	2.1
55.01874	5.0
55.68730	1.5
57.03436	3.7
57.07068	2.2
61.02917	6.4
67.05494	3.4
69.03424	23.4
69.62547	5.2
71.04996	2.8
73.02911	2.2
81.03405	9.2
85.02405	2.8
85.02897	36.1
87.94614	1.8
91.05460	11.1
95.04947	8.0
97.02880	15.4
98.22702	1.9
99.04440	2.5
105.07017	18.3
107.08597	2.2
109.02887	3.1
114.69466	1.7
115.05447	3.0
117.07014	8.5
119.04900	1.7
119.08587	17.4
123.04411	2.5
127.03890	6.7
128.06213	13.1
129.07011	6.8
130.07803	4.6
131.08586	7.9
133.06503	2.8
133.10110	8.6
141.06985	1.7
142.07791	4.7
143.08543	52.0
143.09624	3.3
145.04965	5.7
145.06497	7.3
145.10118	17.1
146.07268	2.2
146.10419	1.7
147.08035	100.0
147.11740	3.2
148.08398	4.1
155.08559	3.1
156.09326	2.5
157.06444	2.3
157.10085	10.6
158.07352	3.8
159.08005	8.6
159.11760	3.6
160.08827	7.6
161.09602	79.4
161.55753	1.7
162.09946	4.4
165.40619	1.9
170.10928	6.4
171.08058	6.9
173.09607	15.1
174.06773	7.2
175.07532	45.9
175.11127	2.8
175.14807	14.9
176.07950	1.8
185.13240	16.9
187.11171	2.6
187.14790	3.1
189.09106	21.8
189.12636	1.8
191.10661	4.5
195.11659	3.5
203.05295	3.0
203.14299	69.2
204.14690	3.5
213.12778	12.7
231.13777	52.1
231.16039	3.6
232.14177	4.4
249.14790	9.4
305.54221	1.8
353.15588	7.0
411.19876	80.5
412.20221	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	411.2009
Annotation	(+)-Picriside C
Peak:m/z	Relative Intensity
53.03940	0.8
54.41204	0.7
55.05500	1.3
57.03432	0.8
59.04995	0.7
61.02923	1.4
67.05466	1.6
69.03423	5.1
69.07058	2.0
69.31544	3.8
71.05014	0.7
77.25275	0.6
79.05459	0.8
81.03417	1.4
81.07053	1.5
81.97498	0.6
83.04960	1.7
84.10279	0.6
85.02896	9.7
91.05465	5.5
92.45193	0.6
93.07020	1.2
95.04951	2.8
95.08603	1.2
97.02872	2.3
98.23395	1.8
101.98800	0.7
105.07019	13.7
107.04975	0.9
109.02908	0.8
109.06512	0.7
115.05450	1.2
117.06992	2.8
119.07739	1.2
119.08564	18.7
120.08900	0.9
121.06498	1.0
127.03847	1.3
128.06198	11.0
129.07056	3.3
131.04875	0.9
131.08545	3.1
133.06477	2.1
133.10106	10.4
135.08031	0.7
140.10709	0.6
141.06931	1.0
142.07822	0.9
143.08537	30.0
144.08946	1.1
145.04868	0.8
145.06459	2.5
145.10109	3.2
146.07243	1.7
147.08032	13.7
147.11655	2.4
153.01796	3.4
154.02101	1.7
155.06053	1.0
155.08470	1.4
157.10107	3.8
158.07269	1.2
159.08072	2.2
159.11685	3.3
160.08794	3.0
161.09595	100.0
161.13243	1.8
162.09967	3.6
170.10852	2.8
171.07988	3.5
171.11519	0.8
172.08757	1.3
173.09601	3.0
174.06743	2.5
175.07536	1.7
175.11156	1.2
175.14743	4.7
177.05463	0.6
179.30078	0.8
185.13225	4.7
187.11136	4.3
189.09082	9.5
189.12677	3.2
191.10605	0.9
195.11623	1.8
195.48820	0.8
198.10246	1.0
203.14282	35.2
204.14641	2.1
205.12173	1.1
213.12703	7.3
231.13765	25.6
232.14166	1.3
249.14815	36.6
250.14992	1.5
264.39148	0.8
273.74966	0.7
310.85291	0.8
411.12350	0.8
411.15155	0.7
411.19174	4.8
411.23694	2.5
411.28864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2892
Annotation	Azafrinaldehyde
Peak:m/z	Relative Intensity
53.03952	1.0
55.01858	1.9
55.05508	6.6
55.45830	0.8
57.07071	1.8
65.03938	1.0
67.05502	12.6
69.03408	1.7
69.06708	1.4
69.07063	20.4
69.21247	2.3
69.21632	2.2
71.04971	1.2
75.01976	0.9
77.03883	1.0
79.05483	12.7
81.03401	1.6
81.07050	17.7
83.04976	2.7
83.08598	2.4
91.05468	11.7
93.07045	17.7
95.04950	3.7
95.08607	22.8
97.06534	2.4
97.10191	1.3
98.22572	1.9
100.63340	0.9
103.05441	1.3
105.07026	22.9
107.04943	2.2
107.08584	33.0
109.06499	6.8
109.10147	22.3
111.08090	1.1
111.11695	1.3
115.05460	1.5
117.07012	8.0
119.04906	1.3
119.08571	15.6
121.06510	7.6
121.10155	9.1
123.04433	1.2
123.08053	3.8
123.11714	3.8
128.06221	3.4
129.06972	5.2
130.07724	1.5
131.08565	16.8
133.06503	2.3
133.10114	9.7
135.08055	4.4
135.11688	6.3
137.05951	1.8
139.07535	1.1
141.06990	1.6
142.07776	2.8
143.08554	12.3
144.09309	1.4
145.06500	3.5
145.10112	20.9
147.08044	11.6
147.11678	9.0
149.09616	2.6
149.13237	3.9
155.08545	6.9
156.09131	1.3
157.10115	8.4
158.07256	4.6
158.11035	1.0
159.08055	3.2
159.11687	12.6
161.09576	8.6
161.13283	6.7
163.07518	1.8
163.11136	2.0
163.14821	3.1
167.08562	2.2
169.10135	4.9
170.10922	1.4
171.08017	6.0
171.11679	7.2
173.09599	17.7
173.13234	12.6
175.07520	1.2
175.11154	2.3
175.14851	1.9
177.09111	1.1
178.07794	1.2
179.08502	2.6
179.14316	1.8
180.09380	1.3
181.10127	4.3
182.10890	2.0
183.11626	5.6
185.09669	4.7
185.13281	6.7
187.11169	4.7
187.14824	2.9
189.09105	10.4
189.12692	1.1
189.16344	2.1
191.10634	13.1
193.10146	2.1
195.07886	1.2
195.11676	5.3
197.09613	3.5
197.13208	5.8
199.11179	4.8
199.14810	7.5
201.12749	3.2
201.16391	2.2
203.17966	4.0
205.19423	1.0
207.10071	2.2
207.11707	4.0
209.11699	7.1
209.13283	1.9
210.10181	1.0
211.11171	4.3
211.14793	2.3
213.12762	7.2
213.16380	2.0
214.13045	1.2
215.14333	5.6
217.12238	1.1
218.11034	1.1
219.11693	1.4
221.13187	2.5
222.13956	1.3
223.11137	2.7
223.14784	2.6
225.12793	3.7
225.16418	2.2
227.14323	3.9
229.12251	2.9
231.11638	1.0
231.13736	10.8
233.13205	1.7
233.15361	3.9
235.11137	1.3
235.14795	2.7
237.12746	2.2
237.16411	2.7
239.14290	1.9
241.12090	1.3
245.13284	1.4
245.15482	1.4
247.13292	3.5
249.12534	2.1
249.14661	10.2
251.14258	2.7
251.18018	2.1
255.21027	5.3
261.14554	1.3
263.14224	1.1
263.18063	1.5
265.15915	3.4
265.19370	1.8
267.13870	1.3
267.17361	1.9
269.15442	1.1
273.14883	2.5
277.15762	1.8
277.19754	1.7
281.15384	1.4
281.18973	1.9
283.16901	5.9
283.20441	2.7
285.18625	1.7
287.16345	2.8
291.17578	1.4
293.19037	1.4
297.18619	1.5
299.16412	2.1
300.17194	1.6
301.17871	15.1
302.18640	2.2
307.20407	1.2
309.18570	1.6
311.20062	2.7
313.17960	1.5
315.19580	3.3
319.20505	5.0
323.20059	3.0
325.21585	1.5
327.19495	3.0
328.20267	1.6
329.21069	7.2
335.23810	1.9
337.21591	7.1
337.25281	2.5
341.20999	16.2
342.21680	2.1
343.22711	2.0
343.70905	1.1
353.21017	3.7
355.22644	18.7
363.23227	1.4
369.24179	1.2
375.26718	4.9
381.24075	5.8
383.25790	1.6
393.27847	15.0
396.26468	10.8
397.26721	1.2
411.19861	3.6
411.28891	100.0
412.29153	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	411.2887
Annotation	Azafrinaldehyde
Peak:m/z	Relative Intensity
51.10374	0.8
53.03934	1.4
55.05507	5.4
57.07069	1.9
59.03276	0.8
67.05497	12.6
69.07063	19.2
69.50218	0.8
71.04958	1.1
71.08607	0.9
74.81680	0.8
79.05486	8.5
81.03432	1.1
81.07050	15.6
83.04984	2.4
83.08611	3.8
85.02924	1.2
91.05466	9.9
93.07027	14.9
93.31151	0.8
95.04977	3.4
95.08601	13.9
95.79984	0.9
97.06522	3.0
97.10147	1.1
98.00874	0.9
98.01605	0.8
105.07016	16.9
107.04993	1.0
107.08585	15.0
109.06511	4.1
109.10141	17.3
110.10551	1.4
111.08105	1.5
111.11753	1.3
115.05476	1.2
116.06262	0.9
117.07043	4.9
119.08562	14.9
121.06517	5.1
121.10132	8.2
123.08058	2.2
123.11693	3.3
125.09591	0.9
128.06207	1.9
129.06964	4.4
130.07736	1.4
131.08551	13.5
133.06473	1.5
133.10098	8.5
135.08028	3.0
135.11693	3.9
137.05939	3.7
141.06961	1.9
142.07762	1.3
143.08553	12.0
145.06468	2.6
145.10106	18.6
146.10521	1.0
147.08020	8.1
147.11667	6.5
149.09613	3.0
149.13258	3.1
155.08545	5.7
156.09331	1.4
157.10114	7.9
158.07286	2.3
159.08023	3.3
159.11699	8.5
160.12273	1.2
161.09586	5.7
161.13190	6.1
163.11151	1.4
163.14868	1.4
165.06927	1.2
167.08604	1.8
168.09186	1.1
169.10110	4.5
170.10823	1.1
171.08041	3.0
171.11661	6.3
173.09613	10.0
173.13240	7.4
175.07524	1.3
175.11183	2.7
175.14812	2.0
179.08582	1.6
179.14278	1.1
180.09309	1.1
181.10042	4.2
182.10921	1.8
183.07974	1.1
183.11649	4.7
185.09575	2.8
185.13199	5.6
187.11165	1.9
187.14761	2.7
189.09065	6.2
189.16379	1.6
191.10675	7.7
193.10150	2.5
195.08020	1.3
195.11633	4.7
197.09546	2.4
197.13232	4.3
198.13815	1.1
199.11188	5.7
199.14812	5.4
201.12712	2.3
201.16370	2.9
203.10698	1.1
203.17952	3.8
205.12112	1.1
207.10051	1.4
207.11732	1.6
209.11659	4.0
209.13304	3.2
210.10376	1.8
210.13863	1.1
211.11179	1.8
211.14854	2.6
213.12695	4.7
213.16345	1.3
215.14288	1.6
215.17899	1.1
217.12309	0.9
219.11562	1.2
221.13242	3.9
222.10300	1.1
222.13850	1.2
223.11171	1.8
223.14807	2.6
225.12625	4.1
225.16319	1.6
227.14261	2.9
231.13782	4.7
233.13319	1.5
233.15338	1.9
235.14870	2.5
237.12708	1.6
237.16373	1.7
239.14281	2.9
239.17960	1.2
241.15884	1.9
246.40910	1.0
248.15674	1.3
249.14897	3.2
251.14244	1.9
253.15883	2.2
253.19443	1.2
255.17584	1.3
255.21074	3.0
261.14832	1.4
265.15863	3.0
265.19388	0.9
267.13776	1.1
267.17490	1.6
269.15436	1.4
269.18997	1.5
271.17117	1.1
273.14813	2.0
277.15814	1.1
277.18930	1.0
279.17535	1.1
283.16934	5.5
283.20178	2.0
284.17532	1.2
285.18341	1.8
286.19482	1.3
287.16537	2.2
291.17429	1.3
299.16452	2.5
300.17120	1.6
301.17944	24.9
301.21277	1.7
302.18613	7.3
303.19437	1.3
309.18488	1.8
311.20041	1.6
313.17853	2.0
313.21265	1.1
314.18491	1.0
315.19812	1.5
319.24112	1.1
323.20108	1.7
325.21378	1.4
327.19498	2.9
329.21048	4.1
337.21658	3.7
337.25256	1.8
341.21039	8.8
342.21799	1.8
343.22601	2.7
353.21149	3.4
355.22623	6.7
365.28296	1.2
368.23151	1.3
369.24225	1.2
375.26834	4.1
381.24200	4.5
393.27896	15.9
394.28024	1.1
396.26514	6.3
411.28891	100.0
412.29248	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	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80042	2.5
55.05526	4.8
57.03426	26.3
59.05000	4.5
61.02914	6.5
69.03429	98.1
69.76581	6.8
71.04996	4.8
71.88568	3.3
73.02917	3.9
77.90570	3.6
81.03408	7.3
83.08601	5.6
85.02905	100.0
87.04465	66.1
87.05003	3.3
97.02888	82.6
97.06529	3.7
98.22720	4.9
99.04472	6.3
104.10728	3.7
109.02847	4.1
111.08059	4.2
113.21494	3.2
115.03934	87.9
127.03903	18.9
133.04961	95.8
133.05927	5.8
145.04935	27.8
150.07567	10.9
153.01805	9.8
163.06007	12.6
167.10580	5.9
179.10780	3.5
197.11736	5.6
251.16397	4.5
259.08240	5.4
310.73795	3.0
412.19238	7.1
413.17703	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	413.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03472	3.9
69.59180	4.6
70.91137	6.1
74.66247	3.8
114.04010	4.5
127.97209	4.0
135.05562	8.1
154.04936	20.0
177.89513	3.9
189.48915	4.0
407.11630	4.6
413.08398	100.0
413.14130	28.1
414.08649	5.4
414.14459	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	413.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27983	0.8
53.52291	0.8
59.04991	2.0
67.05510	0.8
67.75093	0.7
69.03407	1.7
79.05493	1.8
81.03413	1.5
81.07031	2.1
83.04972	0.9
85.02892	2.2
91.05466	1.8
95.04964	1.2
95.08561	0.8
105.07000	1.0
107.08578	1.4
119.08545	1.1
127.03886	1.1
129.05444	2.7
137.05954	1.2
147.06459	0.8
147.08041	0.8
163.11078	0.8
165.08865	10.7
182.08124	1.0
193.08392	2.0
233.15413	0.9
243.04765	1.0
255.03683	0.7
277.10687	0.9
309.12906	1.1
327.14093	15.7
351.13766	1.1
369.15149	86.0
370.15341	3.3
413.13980	100.0
413.21252	7.4
414.13986	6.3
430.84055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82593	0.4
69.49205	1.8
70.49288	0.4
85.02863	0.5
87.03036	0.4
95.01077	0.7
96.01855	0.5
113.02123	1.9
126.02849	0.5
129.05457	0.5
130.04930	0.4
136.06180	0.7
148.46712	0.5
157.04704	0.4
176.04430	1.1
176.75270	0.4
185.04205	2.1
203.05348	0.4
203.09087	0.6
222.10097	0.4
223.54662	0.4
251.08719	0.9
259.07959	1.0
398.16794	0.4
413.14166	100.0
414.14468	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	413.1413
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05018	0.8
57.03407	0.5
69.03429	0.4
69.61983	0.5
69.62363	0.7
74.06084	2.2
78.05531	0.3
85.02877	0.5
94.04010	0.3
102.05520	1.5
119.03543	3.6
120.06570	8.6
131.04935	0.3
136.06171	100.0
137.04576	2.0
137.06526	1.2
162.04092	66.1
163.04404	1.2
190.56912	0.4
205.99374	0.3
219.28065	0.4
268.10455	0.3
281.09903	48.8
282.10168	1.8
328.41031	0.4
374.20300	0.4
387.64178	0.4
395.09589	0.3
413.09293	0.5
413.14374	2.2
413.23505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50334	0.6
56.49202	0.6
69.08412	4.7
92.95561	0.7
113.02174	0.8
136.06229	0.7
149.36948	0.6
153.01826	0.8
153.82281	0.7
162.04100	0.8
163.03928	1.0
185.04239	3.0
189.05157	3.1
226.60641	0.6
250.08191	3.1
251.08876	5.9
265.95322	0.8
300.44791	0.7
369.11670	0.9
413.14319	100.0
414.14444	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	413.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	1.0
69.07043	1.3
69.33620	1.4
69.34030	1.3
79.05479	0.6
81.07047	1.8
91.05462	0.9
93.07040	1.1
95.08598	2.4
97.06517	0.5
98.22751	1.0
98.23392	1.3
105.07011	0.7
107.08563	0.5
109.10156	1.4
129.06998	0.6
131.08574	0.6
133.10083	0.6
145.10135	0.8
147.08052	0.7
155.08571	0.5
159.08064	0.6
159.11595	0.6
161.09662	0.7
173.09731	0.5
187.03638	0.7
202.05983	14.5
203.06635	1.3
215.21033	0.5
233.07835	0.6
233.15387	0.6
261.71521	0.5
263.16339	1.3
271.16943	0.6
336.11322	0.5
377.28851	0.6
395.29337	1.0
398.13437	0.6
413.15674	100.0
413.30133	2.4
414.16003	6.5
432.39026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66478	0.9
67.32729	0.8
69.07048	2.0
70.02529	3.1
81.07034	2.2
89.78795	1.0
95.08575	1.6
95.20866	0.9
109.10149	1.3
119.08591	1.2
120.45146	1.0
137.05968	2.8
145.10081	1.6
149.05991	1.2
176.04482	1.2
177.09111	3.8
187.14787	1.1
189.05473	0.9
199.14767	1.2
201.05171	5.7
216.07544	39.0
217.08278	2.0
285.18488	3.1
298.53452	0.8
353.13760	2.0
365.13739	1.0
395.29456	3.7
413.15652	100.0
414.15997	6.1
429.54745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1589
Annotation	Cudraxanthone R
Peak:m/z	Relative Intensity
57.24754	1.3
69.44016	4.6
74.03793	1.5
79.05479	2.5
81.07066	2.2
91.05479	2.7
92.16322	1.2
93.07040	1.5
95.04958	1.7
95.61574	1.2
95.88886	1.2
103.05460	1.6
105.06971	1.4
107.04938	2.3
115.05410	3.2
117.07008	7.2
121.06541	2.7
128.53712	1.3
131.70766	1.2
138.45665	1.2
145.06459	9.6
145.07373	1.1
147.08044	1.7
151.07524	1.6
161.05974	1.5
167.07024	6.1
173.05984	2.6
175.07547	2.0
177.09116	6.4
181.23744	1.4
191.07021	1.4
193.08597	2.1
202.07791	1.4
203.03383	1.4
205.08525	1.3
218.07310	1.5
219.06400	2.6
228.33139	1.3
231.08125	2.6
232.08737	1.8
233.09557	1.9
234.06790	2.4
243.08032	1.4
245.05991	2.6
245.09648	2.4
246.06750	2.5
247.07587	2.4
248.08238	2.2
249.09151	3.2
251.07184	1.7
257.09583	1.7
259.07431	1.9
260.08347	2.8
261.09009	2.1
263.07111	2.0
264.07932	2.7
265.08911	1.6
267.10175	1.9
270.06836	1.7
273.05505	6.4
273.08975	3.5
274.06235	3.0
274.09860	5.6
275.07309	1.6
275.10651	4.3
277.08606	3.8
278.09265	2.9
279.06778	1.7
279.10092	1.9
287.07086	2.5
288.07724	1.7
289.05099	1.9
289.08438	2.5
291.06406	4.2
291.09933	3.5
292.07352	2.7
293.07965	2.2
301.08673	1.8
302.09280	9.2
303.06879	2.1
303.10028	8.2
304.07455	1.8
305.04669	2.1
305.08054	6.0
305.11267	1.4
306.09076	1.7
306.12503	1.6
307.06287	2.0
307.09650	3.7
307.13055	1.5
309.07599	1.6
309.11139	3.4
311.09390	2.3
318.08713	1.5
319.05945	3.4
319.09631	6.1
320.06750	2.7
320.10370	2.4
321.07602	2.7
321.11084	2.6
323.09219	2.0
324.09772	1.7
330.08997	2.8
331.09625	4.0
333.07455	2.4
333.11172	2.2
334.08246	3.3
334.11914	1.6
335.09061	5.4
335.12741	4.2
337.10605	3.7
341.13858	7.8
347.09048	3.2
348.09760	7.7
349.10712	2.9
351.08417	2.8
351.12299	2.2
351.16080	1.5
352.09152	1.8
353.76059	1.4
354.10876	1.8
363.12222	27.8
364.12802	3.4
367.11667	7.9
367.15549	2.8
369.13504	1.9
379.11813	3.1
380.12378	5.2
381.13062	6.3
385.16397	6.1
395.14853	61.3
396.14996	3.2
413.15887	100.0
414.16293	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2144
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.89508	0.3
56.07273	0.3
61.48258	0.3
69.03429	0.3
69.44398	0.3
69.79411	1.0
76.70978	0.3
78.49075	0.2
81.56264	0.3
98.22964	0.7
104.82030	0.3
105.57099	0.3
124.07611	0.5
127.03922	0.4
153.01823	1.2
185.04311	0.3
203.05293	1.3
236.03903	0.3
252.09335	0.2
253.58347	0.3
369.15057	0.7
372.98453	0.3
413.21432	100.0
414.16281	0.4
414.21771	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	413.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
55.05506	6.1
57.03431	4.8
61.02936	2.5
67.05495	7.5
69.03423	7.6
69.07060	13.2
69.22639	10.3
71.04980	3.2
79.05485	8.2
81.03394	5.2
81.07041	11.7
83.04953	4.2
83.08602	2.4
85.02899	12.7
90.26205	1.7
91.05471	15.4
93.07027	13.7
94.54185	1.5
95.04974	5.6
95.08589	11.1
97.02872	6.2
97.06515	7.3
99.04472	2.2
102.16524	1.6
105.07014	21.6
107.04936	2.9
107.08579	13.7
109.02865	2.1
109.06494	5.6
109.10123	9.0
110.10517	1.9
111.08046	2.5
115.05503	2.0
117.07011	19.1
119.04968	2.5
119.08561	11.4
121.06484	6.4
121.10096	8.4
125.05989	5.7
127.03884	5.1
129.06993	5.1
130.07750	2.6
131.08557	24.9
133.06528	1.7
133.10094	8.5
135.08031	6.8
135.11644	4.2
137.05962	2.1
140.83173	1.5
143.08537	5.6
144.09341	1.8
145.04930	3.0
145.06497	4.6
145.10112	57.1
145.11218	3.1
146.10454	3.2
147.08113	3.1
147.11694	10.7
149.09575	11.0
155.08646	2.8
157.10133	3.9
158.07286	2.4
159.08026	11.1
159.11665	11.3
161.09624	2.8
163.07549	2.6
163.11209	15.7
163.14816	1.8
169.10132	3.0
171.11670	3.8
172.08890	3.0
173.09581	16.8
173.13269	3.3
175.11079	2.8
177.09134	3.5
177.12665	2.6
181.45743	1.7
183.11748	1.7
185.09685	2.1
187.11191	7.5
187.14796	19.5
191.10701	5.6
199.14914	2.2
201.12743	1.8
205.12311	5.0
211.14865	3.3
215.10690	6.0
215.14223	9.5
233.11693	5.6
233.15332	47.7
234.15747	2.7
235.07561	1.8
251.12563	2.6
251.16393	61.1
252.16763	2.1
263.16336	2.0
285.18491	3.0
302.18912	2.3
323.90323	2.3
339.23444	2.5
377.28329	2.2
383.20358	42.5
384.20270	3.4
395.29373	8.3
413.21451	100.0
413.29935	24.2
414.21863	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	413.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96398	1.0
53.03941	5.4
55.01869	2.4
55.05505	7.0
55.90835	1.3
57.03423	3.2
57.07071	4.7
61.02904	1.2
67.05499	18.9
69.03426	12.4
69.07062	5.8
70.56029	2.8
71.05003	4.0
73.02917	1.4
77.03914	3.1
79.05485	32.6
81.03413	10.2
81.07043	9.5
83.04953	8.8
85.02890	8.7
85.06533	19.3
87.00823	1.4
91.05469	23.4
93.07033	100.0
94.07372	2.4
95.04961	11.2
95.08594	6.9
97.02901	5.8
97.06550	4.5
99.04424	5.7
101.05964	1.7
103.05462	2.2
103.07579	13.5
105.04511	3.8
105.07024	17.0
107.04963	2.9
107.08583	31.1
109.02905	6.7
109.06533	4.6
109.10163	2.6
111.08063	1.5
116.06279	1.2
117.07045	3.5
119.04948	1.7
119.08574	17.5
121.06519	5.8
121.10133	94.3
122.10494	1.4
123.08064	3.5
123.11681	2.8
125.05988	3.6
125.50858	1.2
127.03879	12.5
129.05476	1.5
129.06998	2.3
131.08549	12.5
133.06493	2.7
133.10144	2.2
135.04388	1.6
135.08047	1.5
137.06015	1.8
139.11206	4.0
142.07758	1.2
143.08560	3.5
145.04973	2.3
145.06473	1.9
145.10107	8.6
147.11690	2.9
148.02219	5.1
149.09602	34.5
150.10049	1.5
155.08470	1.5
157.10091	2.2
159.11786	3.8
163.11191	5.7
166.03284	5.1
167.10716	4.5
169.10129	1.3
173.09604	6.3
187.11176	6.6
189.12813	1.5
190.41243	1.2
191.10751	4.3
205.12277	2.8
211.09647	2.2
215.10722	5.1
233.11681	5.5
251.12856	3.3
255.17313	1.6
281.79398	1.5
293.13870	2.8
301.18069	2.0
393.74173	1.4
395.29691	1.7
413.16595	2.7
413.21503	41.6
413.30667	3.6
414.21957	3.2
414.86182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2167
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
52.04886	1.5
53.03936	3.0
55.01858	3.4
55.05508	19.3
57.03422	3.9
57.07059	4.8
59.04982	4.1
60.75059	1.2
65.03957	1.6
67.05501	24.8
69.03434	14.1
69.07063	43.2
69.32050	6.3
71.04984	4.2
71.08597	1.4
77.03928	1.6
79.05489	18.6
81.03407	4.0
81.07053	42.6
83.04977	10.7
83.08614	12.2
83.52387	1.4
85.02902	19.6
85.06546	4.2
85.70279	1.5
88.60402	1.4
91.05466	23.1
93.06445	2.0
93.07039	41.5
95.04957	12.0
95.08598	44.3
97.02882	4.9
97.06527	19.4
97.10172	1.8
98.23408	3.1
99.04453	5.0
99.08109	2.1
100.11261	20.3
103.05450	1.5
105.06346	2.1
105.07027	41.4
107.04949	7.2
107.08578	38.6
109.02885	2.8
109.06516	14.2
109.10146	49.4
110.06039	2.1
111.04464	4.3
111.08077	7.9
111.11720	2.9
115.05459	2.4
117.06995	11.2
119.08578	32.1
121.06503	18.6
121.10139	26.9
123.08080	9.9
123.11690	6.7
125.05984	3.9
125.09628	2.8
125.92978	1.6
126.60574	1.5
127.03924	1.9
127.11204	2.3
128.06209	2.8
128.07060	3.0
129.06976	9.6
131.08542	24.4
133.06461	4.5
133.10114	17.6
135.08018	18.4
135.11682	13.3
137.05954	5.9
137.09598	4.8
137.13222	4.0
139.07526	2.7
141.06931	3.4
141.11488	3.5
142.07768	4.2
142.53551	1.5
143.08566	15.5
144.09262	2.5
145.06471	4.0
145.10117	49.1
146.10472	1.6
147.08044	13.1
147.11650	12.9
149.09610	8.2
149.13229	12.0
151.07564	2.4
151.11128	1.7
155.07445	1.5
155.08511	8.4
156.09297	3.9
157.10133	18.9
158.07249	4.7
159.08054	9.7
159.11671	27.5
161.09625	10.4
161.13249	23.1
162.10350	2.3
163.07542	1.6
163.11151	10.3
163.14833	5.5
165.07019	1.8
165.12718	2.3
167.08499	2.1
167.14255	2.2
169.10066	9.1
171.08041	4.1
171.11678	10.5
173.09608	28.4
173.13251	9.7
175.11224	15.0
175.14732	1.9
177.09172	3.2
177.12743	39.3
177.16374	6.1
179.14302	16.2
181.10078	4.0
182.11023	1.9
182.15379	13.1
183.11662	7.5
185.09650	5.1
185.13196	7.1
186.10417	2.6
187.11180	16.4
187.14793	14.2
189.12709	13.0
189.16333	2.5
191.10645	10.9
191.14328	7.9
195.11696	4.3
197.09560	2.1
197.13254	10.2
199.11212	5.0
199.14859	8.9
200.11841	1.8
201.12793	14.1
201.16295	3.8
203.17964	1.8
205.12209	6.2
205.15849	27.2
207.11742	2.0
208.12395	1.8
209.11540	1.8
209.13293	4.3
209.16504	3.9
210.14919	19.5
211.11163	1.9
211.14928	6.1
213.12822	5.7
213.16280	3.5
215.10748	7.4
215.14279	18.9
215.17737	1.8
215.52994	1.5
217.15897	6.0
218.66142	2.5
221.13239	1.7
223.14793	5.2
225.12805	2.1
225.16328	2.6
227.14281	6.5
227.17618	4.9
228.15959	2.4
229.15883	2.2
231.13788	1.9
232.51421	1.7
233.11636	4.8
233.15341	90.4
234.15778	3.0
235.16873	2.5
239.14308	3.0
239.17955	3.7
241.15851	9.9
241.19458	1.7
243.13823	2.0
245.15396	8.0
245.18602	1.6
247.17018	1.6
249.16362	3.3
251.12535	3.1
251.16376	86.0
252.16838	3.4
257.19040	1.6
259.17001	7.2
263.16312	12.5
265.15869	1.9
267.17508	5.5
268.21442	5.4
268.71857	1.6
269.19016	6.3
271.16974	2.6
277.19824	2.1
279.21005	2.1
281.19028	1.9
282.19485	2.0
283.17017	2.9
285.18442	10.8
286.19095	1.7
287.20059	3.0
293.19162	1.8
293.22507	2.2
299.19965	1.8
307.20712	1.7
309.22168	2.3
313.21655	2.1
321.22104	5.3
325.21738	1.9
326.28006	1.9
327.22940	1.6
331.74710	6.7
339.23169	9.8
340.75049	2.2
357.24310	2.0
359.27264	3.5
377.28308	11.0
395.16983	1.4
395.29395	38.4
396.29608	2.1
398.28094	2.7
413.16681	2.4
413.22256	23.7
413.30447	100.0
414.21777	2.1
414.30685	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	413.305
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
51.36351	1.0
55.05502	4.6
56.59648	0.8
57.07066	0.9
67.05490	5.3
69.07062	12.4
76.02033	0.9
79.05506	4.3
81.07047	7.6
83.08590	1.8
91.05461	6.0
93.07034	8.9
95.08598	12.8
97.06524	1.4
97.10168	1.4
105.07035	8.9
107.04947	2.2
107.08588	5.8
108.51804	0.8
109.06487	1.2
109.10139	5.8
110.32426	0.8
111.11726	1.4
115.05470	2.1
117.06987	5.5
119.08584	6.6
121.06499	2.8
121.10165	2.3
123.08045	2.3
123.11662	1.0
128.06300	0.9
129.07010	3.8
131.04970	1.0
131.08556	9.1
133.06438	1.1
133.10135	6.3
134.94510	0.9
135.08057	2.3
137.05994	1.2
141.06999	2.3
142.07802	1.7
143.08548	6.6
145.06508	1.5
145.10114	11.1
147.08044	2.5
147.11684	4.4
149.09621	1.1
155.08565	6.2
157.06523	1.3
157.10130	7.3
159.08006	2.0
159.11742	4.6
161.09589	3.1
161.13266	2.6
163.07558	4.0
167.08501	1.2
169.10123	3.1
171.08076	1.1
171.11662	4.5
173.09665	6.0
173.13251	2.5
175.11174	7.8
177.09093	2.8
181.10078	2.7
183.11687	3.9
185.09564	1.7
185.13258	3.8
187.11203	1.1
189.09114	0.9
193.10065	1.9
195.11699	1.6
197.09616	1.0
197.13321	4.5
199.11171	1.6
199.14697	5.1
201.12688	1.2
201.16573	1.0
202.07573	1.2
203.08583	1.0
207.11754	2.4
209.13228	3.1
211.11176	1.2
211.14825	2.1
213.12828	1.4
215.14192	1.1
221.13232	1.6
223.14871	2.5
224.15501	2.0
225.12823	2.5
225.16356	2.6
227.14291	1.5
235.14809	0.9
239.14330	1.6
239.17947	6.5
247.14883	1.1
248.08083	1.2
249.16492	1.7
251.14413	1.4
251.17924	1.7
252.14848	1.7
253.15880	2.5
255.21172	1.5
257.18994	7.7
261.16489	1.3
263.17905	1.0
265.15985	1.8
265.19507	1.0
267.17456	9.6
268.18076	1.9
271.16919	3.5
279.17447	3.8
280.18250	1.4
281.19061	1.9
283.16910	2.3
285.18466	68.1
286.18973	7.4
291.10175	1.4
293.18872	2.4
294.19681	3.4
295.20660	1.2
297.18552	3.0
298.19193	1.8
299.20087	5.3
307.20578	1.0
309.22238	1.2
311.19974	3.5
312.20908	5.1
313.21506	5.2
319.13306	1.1
323.12781	1.4
325.21750	1.5
327.23184	3.0
339.23196	4.6
341.13855	3.7
349.25174	1.3
351.15802	1.7
367.25934	1.9
377.28293	3.7
380.27295	1.0
395.29413	100.0
396.29800	8.4
413.15802	3.4
413.30460	68.1
414.30930	6.4
417.24020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3047
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
51.02397	0.8
53.03941	1.2
55.01865	1.9
55.05505	11.4
57.07070	2.9
59.04991	1.5
65.03922	1.3
67.05496	31.0
69.03413	1.4
69.07060	38.4
69.23743	3.9
70.07424	0.7
70.34671	0.6
71.08627	1.1
77.03943	0.7
79.05481	15.0
81.07047	40.5
83.04972	1.7
83.08604	6.5
85.06541	1.2
91.05466	16.1
92.05755	0.7
93.07034	31.4
94.07336	0.7
95.04955	5.6
95.08594	52.7
96.08942	1.3
97.06514	7.0
97.10157	2.3
99.08071	2.3
100.11243	1.9
105.04494	1.1
105.07021	29.6
107.04949	2.9
107.08580	30.3
108.08888	0.9
109.06516	5.0
109.10143	73.9
110.10512	1.1
111.08067	6.2
111.11701	2.2
115.05445	1.2
117.06993	5.3
119.08568	24.0
120.08917	0.8
121.06506	7.8
121.10126	24.0
121.10981	1.5
123.08050	11.6
123.11731	3.9
125.05972	1.2
125.09650	1.1
127.11208	1.3
128.06198	1.6
128.19365	0.7
129.06985	6.5
130.07722	0.7
131.08543	11.6
133.06462	1.6
133.10104	12.9
135.08046	5.3
135.11673	9.1
137.06081	0.8
137.09605	2.7
137.13228	2.5
139.07523	2.5
141.06967	1.9
142.07751	2.1
143.08546	11.7
144.09314	0.8
145.06499	2.0
145.10110	15.5
147.07997	4.8
147.11664	9.5
148.11986	0.9
149.09642	2.3
149.13245	11.2
151.07611	0.9
151.11169	1.3
151.14809	2.7
153.09006	0.7
155.08542	6.6
156.09164	1.2
157.06392	0.7
157.10098	11.6
158.10655	0.9
159.08047	4.2
159.11664	11.1
160.08672	0.9
161.09631	5.7
161.13240	29.5
162.13571	1.2
163.11172	2.6
163.14816	3.5
165.12788	1.8
167.08586	1.9
167.14287	0.8
168.09328	0.8
169.10103	6.5
171.08046	3.2
171.11656	10.1
173.09616	11.2
173.13203	6.2
175.11163	14.5
175.14809	2.7
177.09096	0.9
177.12758	2.7
177.16359	5.6
179.14284	22.4
180.09196	0.8
180.14563	0.7
181.10114	3.2
182.10916	1.5
182.15349	0.9
183.11678	6.6
184.12244	1.3
185.09607	2.1
185.13252	5.2
187.11177	3.5
187.14778	4.7
189.12730	4.2
189.16414	2.5
191.10681	5.0
193.10112	1.4
195.11670	2.2
197.09592	1.3
197.13213	8.5
198.10437	1.1
199.11223	4.4
199.14806	9.9
200.11826	1.1
201.12697	8.1
201.16359	2.6
203.14262	1.0
203.17973	1.0
205.10060	0.9
205.12218	1.0
207.11725	2.5
209.13226	3.6
210.14726	1.5
211.11176	1.9
211.14824	2.8
212.11751	0.8
213.12740	2.5
213.16391	2.3
215.10834	0.8
215.14285	13.1
215.17929	3.0
216.14763	0.9
217.15823	8.7
217.19385	1.0
218.16222	0.8
221.13252	1.3
223.14909	3.7
225.12764	2.5
225.16409	2.3
226.01241	0.7
227.14275	4.2
229.12276	1.4
229.15842	2.2
231.13748	1.2
233.13350	0.6
233.15356	11.5
235.14771	1.5
235.16914	3.2
236.15302	0.9
237.16283	2.1
239.14259	1.7
239.17920	3.1
241.15822	4.1
241.19441	1.3
243.13730	1.5
243.17513	1.3
245.15350	3.2
245.18019	0.8
247.13231	2.6
247.16977	1.6
249.16432	2.0
251.14165	1.3
251.18095	1.7
253.15825	1.8
253.19536	1.2
255.17393	1.2
255.20967	1.4
257.15247	1.4
257.19110	1.3
259.16968	2.7
261.14853	1.3
263.16336	5.5
265.15680	0.7
267.17429	5.6
267.20242	0.8
269.18997	3.6
271.16974	1.2
275.16223	1.4
279.17334	0.7
281.19000	1.0
281.22775	0.7
283.16904	2.3
283.20450	1.2
285.18460	11.5
287.20084	1.4
293.19110	1.2
293.22519	1.6
295.20364	1.5
297.21832	0.8
299.19958	1.3
303.20456	1.0
309.22202	1.1
311.20102	1.6
313.21652	2.2
321.22070	4.1
325.21671	1.0
327.22980	1.0
331.22583	1.1
337.25314	0.9
339.23154	8.9
345.24240	1.9
349.28766	1.0
353.24847	1.0
353.29260	0.8
357.24142	3.5
359.27441	1.8
367.30179	1.5
377.28333	10.8
378.28815	1.5
395.29413	32.0
396.29541	3.4
398.28293	1.3
413.30429	100.0
414.30789	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	413.3047
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
50.23360	1.4
53.03933	1.5
55.01861	2.4
55.05491	5.9
63.02852	1.3
67.05499	16.0
69.03434	1.7
69.07059	100.0
79.05483	17.2
81.07047	49.3
83.04946	3.5
83.08607	3.9
85.02870	1.7
85.06559	1.6
91.05463	15.8
93.07037	20.1
94.69965	1.4
95.04945	3.6
95.08600	41.7
97.06517	88.9
97.10157	4.0
98.06843	1.4
99.08081	30.6
105.07028	18.7
107.08572	18.3
109.06511	3.4
109.10132	14.4
111.08057	3.2
113.09647	2.6
117.06992	4.6
119.08562	18.3
119.58992	1.4
121.06500	2.8
121.10139	12.9
123.08028	3.3
123.11697	3.2
125.09614	5.1
127.11182	4.1
129.06937	2.3
131.08548	14.9
133.10103	17.0
135.08058	3.5
135.11639	8.3
137.05959	1.8
137.09593	2.8
139.07510	1.6
143.08531	7.4
144.91045	1.4
145.01506	1.5
145.10098	18.6
147.07948	3.4
147.11661	21.6
149.13210	6.2
155.08513	6.5
157.10118	11.5
159.08009	3.0
159.11679	16.2
161.09616	5.4
161.13280	7.1
163.11136	3.0
163.14798	2.6
167.08499	2.3
169.10107	5.1
171.11674	6.8
172.68619	1.6
173.09589	10.1
173.13255	5.1
175.11191	9.3
175.14784	5.6
177.12701	2.8
177.16440	1.6
179.14342	1.6
181.10103	3.0
182.10838	1.9
183.11667	3.9
185.13217	6.9
187.11179	3.3
187.14824	5.0
191.10570	2.9
195.11662	3.5
197.13243	5.4
199.14778	6.1
201.12724	2.9
201.16345	3.6
207.24358	1.5
209.13226	4.7
211.14856	3.8
213.16412	2.8
215.14256	3.9
217.15807	1.6
223.14804	2.3
225.16312	3.2
227.14218	2.7
229.15813	2.3
233.15338	5.0
237.16342	1.5
239.17856	2.2
241.19502	3.6
249.16057	1.9
251.17897	5.8
255.21140	2.6
267.17340	3.2
269.18924	18.9
270.19647	1.7
281.22577	9.1
285.18353	2.8
287.20050	21.4
291.20984	2.2
297.22018	1.9
299.23657	19.1
300.23883	2.3
309.22034	4.0
315.23044	4.3
317.24707	6.8
321.22119	4.3
327.22958	1.8
339.23077	7.7
359.27246	1.7
377.28363	9.1
395.29346	33.4
396.29578	5.7
413.17715	8.5
413.21161	5.5
413.30399	100.0
414.30817	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	413.3049
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
53.03934	1.7
53.07515	0.6
55.01862	1.6
55.05505	8.2
57.03424	1.1
57.07056	2.0
59.04975	0.9
65.03919	1.4
67.05162	1.4
67.05500	21.0
69.03420	6.0
69.06712	1.2
69.07064	17.7
71.04977	2.4
77.03944	1.0
79.05041	0.8
79.05486	11.0
81.03411	4.3
81.07048	25.5
82.07380	0.8
83.04968	4.1
83.08630	3.4
85.02874	3.2
85.06549	1.5
91.05476	14.0
91.80356	0.6
93.07038	18.7
95.04960	7.2
95.08597	25.1
96.08904	1.0
97.02851	0.8
97.06525	9.9
97.10133	0.7
99.04433	2.5
99.08063	0.9
105.04537	1.0
105.07019	22.6
106.07355	0.6
107.04936	6.0
107.08580	24.0
108.08883	0.8
108.95451	0.6
109.02876	1.3
109.06512	6.4
109.10145	63.2
110.10500	1.3
111.04431	0.7
111.08092	1.8
111.11729	1.0
115.05447	1.5
117.06998	5.9
117.07758	1.0
119.04910	0.9
119.08555	14.5
121.06487	7.5
121.10149	11.0
123.04407	0.8
123.07992	3.5
123.11678	7.1
125.05966	3.2
125.09601	1.0
127.03886	0.8
127.11204	1.3
128.06213	1.6
129.02870	0.7
129.07034	3.6
130.07777	1.9
131.04916	0.9
131.08551	12.0
131.09468	1.1
133.06479	2.9
133.10110	13.0
135.08015	3.5
135.11696	4.5
137.05997	3.2
137.09642	1.2
137.13234	0.8
141.06987	1.4
142.07756	1.8
143.06940	1.3
143.07475	0.8
143.08562	8.2
145.06480	2.2
145.10100	21.1
145.11217	1.4
146.10477	1.4
147.08009	4.6
147.11661	9.6
149.05943	0.8
149.09619	2.3
149.13266	3.7
151.07538	1.6
151.11163	8.2
153.12733	0.8
154.07751	1.1
155.08507	6.1
156.09326	0.9
157.10109	9.3
158.07263	2.1
159.08044	4.5
159.11682	10.8
161.09610	4.3
161.13217	7.6
162.13632	0.9
163.11143	4.8
163.14845	1.6
165.06972	1.2
165.12717	1.6
167.08575	1.7
168.09227	0.8
169.10118	5.0
171.08037	2.3
171.11658	6.2
172.08852	1.0
173.09602	13.8
173.13184	3.5
175.07535	1.1
175.11188	6.6
175.14818	2.5
177.09094	0.9
177.12712	1.0
177.16327	1.5
179.08534	1.0
179.14297	2.8
181.10115	3.0
182.10933	0.9
183.11679	4.6
185.09636	1.7
185.13223	3.6
187.11140	8.7
187.14824	2.7
189.09073	1.0
189.12753	2.5
189.16409	1.5
191.10667	4.7
193.10139	1.6
195.08093	0.7
195.11627	3.3
196.12398	0.8
197.09543	1.5
197.13232	5.3
199.11157	3.6
199.14844	4.2
201.12761	3.0
201.16350	3.5
203.18109	0.9
205.12143	3.6
207.11758	1.4
207.13870	0.7
209.11537	0.9
209.13245	2.7
211.11201	1.0
211.14818	4.0
212.11951	0.9
213.12775	2.9
213.16383	1.8
215.10719	5.3
215.14203	3.6
217.12378	0.7
217.15863	2.5
221.13319	1.5
223.11191	1.3
223.14799	2.0
225.12766	1.8
225.16371	1.6
227.14310	2.5
227.17999	1.2
229.15842	4.2
231.13762	0.8
233.11676	1.9
233.15359	2.3
235.14713	1.1
235.16878	0.8
237.16330	2.3
239.14395	1.5
239.17960	1.2
241.15794	1.1
241.19559	0.8
243.17314	1.2
245.15347	1.5
247.14780	1.2
249.16315	2.3
251.14397	0.9
251.17972	2.2
253.15720	1.2
253.19545	1.0
255.17313	1.8
255.20982	0.8
259.16931	1.4
260.09946	0.8
263.16214	4.0
264.18588	0.7
265.19388	0.8
266.16629	1.0
267.17444	5.3
267.21207	1.1
269.15268	0.7
269.18997	1.8
271.17081	1.6
273.18634	1.1
279.20969	0.7
281.19150	1.1
283.16904	1.1
283.20432	0.8
284.17709	3.6
285.18433	7.5
287.19980	1.8
287.74832	0.8
295.20459	1.5
297.21997	1.0
299.20010	1.0
301.18008	2.8
302.18713	13.2
303.19458	2.2
309.22150	1.1
313.21625	1.3
319.24158	1.0
321.22079	2.3
325.21631	0.9
327.23199	1.6
331.22855	0.7
335.23557	1.2
337.25360	1.4
339.23199	4.1
353.28500	0.7
355.26288	0.9
357.24445	1.8
359.15121	0.7
359.27182	5.3
367.30148	0.8
377.28305	12.6
378.28705	1.1
395.16647	0.8
395.29391	33.2
396.29803	2.8
413.18109	2.3
413.30460	100.0
414.30746	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	413.305
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
55.01862	1.8
55.05507	6.2
55.49783	0.9
57.07068	1.7
57.64056	0.9
58.16946	0.9
59.04988	2.2
65.03922	1.1
65.07369	1.0
66.57698	1.0
67.05501	14.5
69.03416	2.5
69.07066	23.5
71.04993	1.3
71.42030	0.9
77.03918	1.0
79.05489	9.9
80.67925	0.9
81.06570	1.1
81.07051	21.3
83.04984	1.5
83.08603	4.5
87.04475	1.0
91.05470	11.3
93.07037	17.4
95.04961	4.3
95.08601	30.4
96.08914	1.6
97.06518	3.7
97.10162	2.3
99.08069	1.2
105.07030	13.5
107.04942	3.4
107.08595	15.8
109.06512	3.6
109.10150	32.1
110.10515	1.7
111.08083	2.2
111.11708	3.1
117.07004	4.5
119.08564	17.8
121.06529	5.2
121.10141	11.1
123.08046	2.5
123.11700	6.2
125.09594	0.9
127.11160	1.3
128.06192	1.4
129.06999	3.0
131.08563	11.0
133.06456	1.4
133.10138	9.0
135.04295	1.1
135.08075	5.0
135.11697	5.2
137.05986	4.3
137.09595	1.2
137.13245	3.5
141.06960	1.8
142.07755	1.4
143.08553	8.5
144.09322	1.1
145.06506	2.4
145.10104	14.5
147.08070	5.9
147.11699	6.1
149.09601	2.9
149.13235	5.7
151.03856	2.4
151.11221	2.5
151.14833	1.2
153.05473	1.0
155.08533	4.7
156.09335	1.7
157.10097	9.7
158.07294	1.4
159.08054	5.0
159.11665	9.3
161.06010	1.0
161.09602	5.7
161.13239	3.1
163.11235	2.1
167.14310	3.7
169.10078	5.2
171.08022	2.9
171.11641	7.8
173.09613	10.7
173.13254	4.1
174.10039	1.3
175.07533	2.1
175.11169	5.2
175.14737	1.8
177.09053	2.5
177.12775	1.3
177.16396	1.5
179.08569	1.3
181.10052	2.8
182.10817	1.7
183.11713	7.9
185.09631	2.7
185.13234	3.8
187.07555	1.5
187.11174	3.3
187.14850	2.1
189.12720	2.7
189.16306	1.4
191.10663	4.3
194.10818	1.1
195.11726	2.5
197.09554	1.8
197.13235	4.8
199.07538	1.6
199.11128	5.6
199.14774	6.1
201.12741	15.2
201.16324	2.4
207.11769	2.6
208.12466	1.2
209.13271	3.0
211.11179	2.0
211.14853	3.2
213.12790	4.7
213.16397	3.8
215.14325	2.8
215.18027	1.5
221.13092	1.4
222.72374	1.0
223.14886	5.2
225.12849	2.5
225.16370	2.1
227.14261	3.5
227.17883	1.3
229.15759	3.2
231.13765	3.0
237.16241	1.5
239.14319	3.1
239.17897	2.4
241.15843	10.1
243.13820	1.9
243.17368	1.4
245.15384	4.3
247.17032	2.5
249.16499	1.8
251.18034	1.8
253.15842	3.3
255.17529	1.8
255.21179	1.2
257.15262	2.0
257.18970	1.9
259.16904	8.3
265.15900	2.2
265.19333	1.2
267.17438	6.1
267.20172	1.1
269.19003	3.1
271.16858	7.5
279.17294	1.4
281.19028	2.1
283.16928	2.0
283.20535	1.1
284.17416	1.4
285.18472	11.7
287.20117	1.4
289.17984	9.1
295.20599	1.7
299.20123	2.3
302.18759	2.4
303.19754	1.6
312.20734	1.2
313.21640	3.3
315.19662	1.3
321.22159	2.0
327.22882	1.3
337.25214	2.8
339.12274	6.2
339.23099	3.3
349.28998	1.4
355.26266	2.4
359.27078	2.8
377.28326	10.9
378.28757	1.3
381.13245	2.0
395.29419	36.5
396.29684	4.0
398.28174	1.7
413.16006	3.1
413.30447	100.0
414.30933	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	413.3049
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
51.10350	1.3
55.01841	1.4
55.05503	7.7
57.07067	2.5
59.24405	1.4
61.25379	1.5
67.05495	21.7
69.03429	1.5
69.06707	2.3
69.07062	26.9
70.56306	2.9
71.08612	1.7
77.03912	2.2
79.05482	14.1
79.28276	1.3
81.07050	38.5
83.04967	3.7
83.08608	5.3
85.02906	1.8
85.06513	2.0
91.05473	17.7
93.07039	34.9
95.04967	5.5
95.08598	41.8
97.06530	10.8
97.10135	2.0
105.07021	33.7
107.04991	2.4
107.07928	2.1
107.08594	30.7
109.06497	5.9
109.09418	2.8
109.10149	42.1
111.08073	4.7
111.11696	1.9
115.05397	1.7
117.07024	6.3
119.04921	2.0
119.08572	21.8
121.06524	7.3
121.10127	26.4
123.08055	9.9
123.11665	5.0
128.06226	2.5
129.07008	7.4
131.08548	15.4
132.55751	1.4
133.06500	2.7
133.10120	15.4
135.08035	4.0
135.11691	10.5
137.05984	1.4
137.09656	3.0
142.07796	3.3
143.08557	13.4
144.09453	1.9
145.06483	1.6
145.10120	20.5
147.08054	8.0
147.11682	12.8
149.09636	3.6
149.13226	7.6
155.08572	8.8
156.09164	1.3
157.10121	14.2
159.08009	5.0
159.11711	13.1
161.09586	9.0
161.13246	22.2
163.11168	3.5
163.14795	5.2
165.12648	1.8
169.10133	4.9
171.08029	1.8
171.11671	12.0
173.09608	7.2
173.13249	6.7
175.11171	16.9
175.14822	3.1
177.12788	2.2
177.16386	4.9
179.14301	18.1
181.03679	1.4
181.10121	3.5
182.10898	1.5
183.11658	5.9
185.09607	1.7
185.13254	4.3
186.89438	1.5
187.11172	3.6
187.14841	4.0
189.12662	7.9
189.16403	2.1
191.10672	2.3
193.12224	1.9
195.11653	3.1
197.13261	6.0
199.11197	2.6
199.14806	8.1
201.12738	4.3
201.16380	3.9
203.17990	1.5
209.13240	3.1
210.13841	1.6
211.14809	3.1
213.12738	4.9
213.16669	1.9
215.14333	14.4
215.17914	3.0
217.15851	10.6
217.19386	1.8
223.14882	3.1
225.12718	2.4
225.16362	1.5
227.14308	4.9
229.15852	4.3
231.13898	3.0
233.15315	13.1
235.14740	2.1
235.16856	3.2
241.15787	2.2
243.17546	2.0
245.15363	10.8
247.13086	1.4
249.16209	2.6
253.15923	1.4
253.19409	1.9
255.21077	2.9
257.15558	1.4
263.16306	25.5
267.17468	5.2
269.19006	2.2
271.16833	4.1
283.16977	1.5
283.20169	2.1
285.18427	7.5
295.20563	1.8
309.22058	3.0
313.21451	3.5
321.22073	4.9
325.21643	2.7
327.23138	5.0
337.25171	2.3
339.23123	13.4
357.24377	3.2
359.27191	2.4
377.28256	8.2
385.30994	1.7
395.29395	36.0
396.29480	3.1
413.30450	100.0
414.30988	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	413.3048
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
55.01863	2.5
55.05502	10.0
59.04991	3.4
65.03931	1.0
67.05499	13.1
69.03420	4.6
69.03766	1.0
69.07059	32.6
71.04983	2.5
71.16128	2.0
77.03917	1.3
79.05487	12.3
81.03423	3.1
81.07046	22.8
83.04980	3.1
83.08591	5.8
85.02892	2.4
85.06515	1.9
91.05464	11.7
93.07038	23.4
95.04974	4.3
95.08594	25.7
97.06520	9.6
97.10155	1.8
99.04459	1.7
99.08076	2.3
104.16124	1.1
105.07019	19.0
107.04967	1.6
107.08585	20.5
109.06517	5.6
109.10146	19.7
110.10497	1.2
111.08082	4.7
111.11708	3.4
111.84902	1.2
117.07006	4.8
119.08569	26.5
120.08904	1.7
121.06493	7.8
121.10123	12.1
122.06879	1.1
123.08036	3.2
123.11717	4.5
125.05968	1.8
125.09607	1.3
126.65400	1.0
127.03848	1.1
127.07566	1.3
127.11200	1.2
128.06235	2.1
129.06996	3.7
130.07700	1.6
131.08548	11.7
133.06494	1.8
133.10109	11.1
135.08037	5.8
135.11685	6.8
137.05954	4.2
137.09549	2.1
137.13220	7.3
141.06934	1.5
142.07808	1.8
143.08554	10.1
145.06464	2.7
145.10109	19.9
146.10474	1.8
147.08060	7.8
147.11671	6.9
149.09613	4.2
149.13268	9.6
155.08543	6.0
155.14276	1.5
157.10123	11.6
159.08055	3.9
159.11691	12.0
161.09595	7.7
161.13228	4.3
163.07513	1.3
163.11128	3.9
163.14763	1.4
167.08539	2.0
167.14317	4.8
169.10130	7.8
171.08044	3.0
171.11642	10.1
173.09612	18.0
173.13245	7.9
174.09901	1.7
175.11153	7.1
177.12862	1.2
179.08540	1.9
179.14243	1.9
181.10123	3.4
182.10748	1.2
183.11682	9.0
184.12158	1.2
185.09673	3.2
185.13289	6.5
186.10294	1.2
187.11165	8.6
187.14790	2.7
189.09116	1.7
189.12674	5.7
189.16252	1.4
191.10658	7.3
191.91966	1.2
193.10127	3.1
195.11661	4.1
196.12280	1.3
197.09557	1.8
197.13280	5.8
199.11179	8.4
199.14807	6.4
201.12717	23.9
202.13039	1.3
203.17949	1.2
205.12212	3.9
207.11688	1.5
208.12506	1.8
209.09525	1.0
209.11620	1.9
209.13454	2.1
211.11234	1.5
211.14781	3.8
213.12700	3.7
213.16364	5.6
215.10680	4.1
215.14304	5.1
217.15831	1.6
223.14847	6.4
224.12033	1.1
225.12737	3.4
225.16327	2.3
226.13567	1.7
227.14262	5.9
227.17857	1.8
229.15866	3.9
231.13887	1.7
233.11659	3.6
233.15427	2.8
237.16321	1.8
239.14302	3.6
239.17987	2.5
241.15862	14.3
243.13805	2.3
243.17551	2.1
245.15355	3.2
251.12517	1.6
253.15802	2.2
255.17488	4.0
259.16888	12.9
265.15729	2.2
267.17380	4.0
269.19098	2.8
271.17001	3.2
281.18753	1.1
283.16931	1.8
283.20657	1.1
285.18442	9.5
287.20001	1.5
289.17871	3.1
293.19144	1.5
295.20544	1.8
307.20657	1.7
313.21579	6.5
321.22012	1.5
327.23270	2.1
337.25281	2.9
339.23062	3.4
355.26276	1.7
367.29971	1.4
377.28302	7.2
383.20432	3.9
395.29404	38.3
396.29648	3.3
413.22025	14.7
413.30411	100.0
414.30750	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	413.3048
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
55.05500	5.1
57.07067	2.3
65.03940	1.8
65.44401	1.1
67.05506	15.3
67.10415	1.2
69.03411	2.0
69.07067	19.7
69.34045	6.0
69.34433	2.1
71.04999	2.0
72.17001	1.4
75.79352	1.1
77.03902	1.5
79.05501	10.1
81.03407	1.9
81.07056	20.8
83.04971	1.8
83.08593	3.9
86.98705	1.2
91.05463	10.9
93.07040	16.5
95.04960	2.8
95.08604	35.0
95.09211	1.8
97.06533	6.3
97.10159	2.3
99.08106	1.3
105.07034	18.5
107.08590	18.2
109.06513	5.4
109.10152	29.4
111.08092	4.5
111.11759	2.0
114.92355	1.3
117.07002	4.7
119.08566	14.4
121.06483	5.0
121.10121	10.3
123.08089	4.1
123.11694	4.8
127.11201	1.8
129.07010	4.4
131.08557	12.2
133.06511	2.7
133.10115	9.2
135.08070	4.6
135.11710	7.7
137.06012	2.5
137.13210	1.5
139.07582	1.7
141.06979	2.5
141.12727	3.4
142.07809	1.5
143.08534	10.9
145.10120	17.0
147.08035	4.1
147.11629	7.0
149.09615	3.9
149.13258	4.0
151.11232	1.2
155.08537	4.3
157.10115	9.3
158.07288	1.5
159.08012	2.6
159.11682	8.7
161.09676	4.6
161.13257	8.7
163.11189	3.9
163.14760	2.3
167.08614	1.5
169.10153	5.3
171.08073	2.3
171.11661	6.5
173.09665	8.1
173.13220	7.7
175.11215	7.0
175.14793	3.0
177.12741	1.5
177.16307	2.5
179.14294	5.0
181.10033	2.0
183.11676	5.2
185.09590	2.2
185.13243	5.5
187.11215	5.2
187.14841	2.7
189.12709	2.0
189.16397	1.8
191.10664	4.6
195.11652	3.1
197.13287	5.4
199.11133	1.6
199.14742	10.1
201.12679	3.9
201.16423	3.3
209.13264	4.1
211.11240	2.0
211.14771	3.5
213.12886	2.0
213.16380	3.4
215.10747	2.4
215.14334	5.6
215.17926	1.8
217.15935	3.4
221.13322	1.6
223.14766	1.7
225.12747	2.7
225.16382	2.3
227.14352	2.8
231.13803	2.5
233.15381	5.4
235.14809	2.4
237.16383	2.2
239.18069	2.6
241.15831	2.0
245.15454	3.1
255.17584	1.5
255.21034	1.9
261.16397	2.1
263.16336	19.3
267.17508	8.2
269.19034	2.8
271.16983	3.4
279.17468	2.5
279.21298	1.3
281.19073	3.8
283.16968	2.5
283.20395	2.2
285.18491	33.2
285.21622	1.6
286.19006	2.9
287.20068	1.6
289.18167	3.8
293.22687	2.2
295.20523	2.1
297.18665	1.9
299.20242	1.8
303.19458	2.5
313.21719	3.5
321.22214	4.0
325.21680	3.6
327.23077	2.3
337.25259	2.8
339.23154	16.4
340.23563	1.7
357.24139	3.2
359.27325	2.6
377.28387	10.2
395.29422	46.0
396.29739	4.7
398.28220	3.5
413.30463	100.0
414.30832	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	413.3049
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
53.03933	2.6
55.01863	1.6
55.05510	11.5
57.07092	2.5
59.05002	1.8
65.03912	1.3
67.05502	28.7
69.03442	2.7
69.06710	2.6
69.07064	40.1
69.58693	1.4
70.70437	1.9
70.70786	2.2
79.05489	22.2
81.03410	2.3
81.07052	43.9
83.04980	4.2
83.08624	6.7
85.06561	2.8
91.05476	21.2
93.06448	2.1
93.07036	39.6
93.07598	2.8
95.04969	6.1
95.08600	59.0
95.23662	1.2
96.08939	2.7
97.06515	12.1
97.10181	2.8
99.08069	2.7
105.07024	38.0
106.07388	1.9
107.04998	2.8
107.07837	1.7
107.08583	46.2
109.06519	7.1
109.10146	64.6
110.10506	2.0
111.08085	6.5
115.05473	1.9
117.07016	6.2
117.14568	1.3
119.08570	29.9
121.06515	10.4
121.10136	31.4
123.08052	14.5
123.11692	7.6
125.09640	1.5
128.06226	4.7
129.06972	11.4
130.07782	1.9
131.08560	18.0
133.06479	4.6
133.10121	19.3
135.08028	4.9
135.11673	14.5
137.05966	5.6
137.09628	3.9
137.13293	3.3
139.07532	3.1
141.06952	3.0
142.07776	3.6
143.08524	15.9
145.06499	2.9
145.10115	22.1
147.08043	8.9
147.11696	15.3
149.09630	4.5
149.13229	11.6
151.14769	2.7
155.08545	8.9
156.09282	2.6
157.10115	17.0
159.08066	6.1
159.11679	14.2
161.09605	11.6
161.13249	28.6
163.07484	1.6
163.11179	7.9
163.14854	5.7
165.12781	2.6
167.08543	1.7
169.10164	5.5
171.08064	3.1
171.11676	13.3
173.09605	11.4
173.13232	9.1
175.11182	18.7
175.14799	5.2
177.12749	3.5
177.16399	7.6
179.14276	20.4
181.10129	3.4
182.10872	2.2
183.11699	5.6
185.09619	2.0
185.13258	5.9
187.07663	1.6
187.11208	5.2
187.14844	4.2
189.12709	10.3
189.16415	5.2
191.10605	4.0
193.10402	1.6
193.12195	3.5
195.11746	3.0
197.09650	1.9
197.13290	6.5
199.11115	2.9
199.14809	12.6
200.11826	2.8
201.12730	5.3
201.16423	4.4
203.14467	1.5
203.17992	2.4
205.16013	1.8
207.11862	2.1
209.13286	3.4
211.14806	3.8
212.11900	1.8
213.12779	2.4
213.16331	2.8
215.14319	22.1
215.17851	3.2
216.14774	1.8
217.15881	21.0
217.19383	3.2
223.14804	2.8
225.12729	1.7
225.16368	2.4
227.14243	3.1
229.15883	3.9
231.13861	2.3
233.15356	15.5
233.19043	1.8
235.14853	1.7
235.16876	6.8
239.17754	1.6
241.15866	2.8
241.19389	2.0
245.15344	9.6
247.13287	2.6
247.17064	2.7
251.17905	1.9
255.17345	2.5
255.21141	1.8
263.16391	28.2
264.16858	1.9
269.18982	1.9
281.19025	2.1
285.18515	3.5
287.20044	2.9
313.21518	4.7
321.22144	2.7
327.23224	2.5
337.24954	2.0
339.23047	8.7
357.24243	3.8
359.27365	2.7
367.30054	3.0
377.28394	11.4
378.28586	2.5
385.31012	6.3
395.29437	37.9
396.30005	3.5
413.30460	100.0
414.30804	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	414.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45089	1.1
57.03427	8.3
59.04993	50.3
66.61226	1.2
67.05478	1.3
67.46253	1.1
69.03412	3.3
70.03320	3.2
70.54624	1.2
71.04970	1.4
73.02901	1.4
79.01813	1.2
85.02894	6.0
85.06509	2.7
87.04445	2.5
95.01308	3.8
97.02880	1.7
101.06009	19.2
103.07568	1.4
108.68704	1.1
113.02303	1.7
115.03899	6.4
127.03844	1.9
129.05457	67.5
130.05809	3.3
131.03380	1.5
136.06113	1.2
141.01794	3.8
143.03409	2.0
153.01813	28.8
153.02888	1.3
159.02991	1.3
167.07013	1.8
169.57040	1.1
171.02878	1.3
171.06516	2.1
189.07471	1.3
203.09111	100.0
204.09448	3.5
206.11719	8.4
234.11159	7.5
248.43259	1.1
252.12219	5.9
258.69482	1.2
295.75067	1.3
379.12546	1.4
395.65967	1.4
414.10434	1.8
415.15411	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31870	4.3
55.05505	14.1
57.07067	9.2
69.07092	19.4
70.51570	9.3
71.08639	8.9
83.08621	19.8
85.10174	5.2
91.05476	8.6
93.07114	4.1
95.08607	4.9
97.10174	16.6
98.22842	6.2
98.23386	7.2
102.05556	5.7
104.07098	62.2
111.07197	3.9
111.11732	9.3
119.08582	100.0
120.78217	3.4
202.96542	4.1
206.49112	3.9
275.27176	4.2
396.34708	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19749	0.2
54.98639	0.3
56.96282	0.5
56.96558	9.2
70.25343	0.7
71.95237	0.7
77.86131	0.3
77.88045	0.2
96.81789	0.2
98.97572	83.8
99.97904	0.8
113.93082	0.3
116.98608	42.7
117.14028	0.3
117.98978	0.4
130.93266	0.7
134.99640	12.5
140.00172	0.3
153.00684	0.7
172.94336	4.9
174.97688	0.3
190.95380	3.7
197.95200	0.5
208.96442	1.1
214.95399	2.9
230.98515	0.4
232.96420	7.2
241.94127	0.3
250.97493	2.8
256.96414	14.3
257.96622	0.3
258.99869	0.8
274.97473	100.0
275.97827	2.1
277.00818	0.8
282.99951	0.6
290.95142	0.3
292.98526	56.3
293.98843	1.6
297.99112	1.2
298.97610	0.5
300.97733	0.4
301.01068	0.6
314.95535	0.3
316.00256	0.7
316.98724	0.9
332.96326	0.4
373.01392	0.4
390.96506	0.4
414.95425	3.2
432.96527	4.9
433.02231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99676	0.4
56.96558	9.3
69.72061	1.0
71.95260	0.7
77.80790	0.4
93.88067	0.3
98.97573	87.8
99.97906	0.5
116.98610	42.0
117.98902	0.4
130.93292	1.1
134.99649	11.1
153.01860	0.4
154.93335	0.6
172.94345	5.8
179.47881	0.3
190.95351	3.8
208.96449	1.2
211.00862	0.6
214.95323	3.3
232.96394	7.5
236.61890	0.4
237.19626	0.3
241.94260	0.3
250.97491	2.2
256.96396	17.6
257.96695	0.6
274.97473	100.0
275.97842	2.6
290.96890	0.5
292.98526	53.6
293.98819	1.3
297.99051	0.6
298.22903	0.4
310.99612	0.5
316.00055	0.5
373.06555	0.5
390.95355	0.5
414.95364	3.0
432.96329	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	414.9536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98627	0.5
56.96557	9.5
57.73575	0.3
63.57582	0.3
70.46273	0.6
71.95256	0.8
81.20937	0.3
88.67396	0.3
95.74727	0.3
98.97569	81.7
99.97916	0.8
111.95841	0.3
116.98606	44.0
117.98951	0.5
121.84254	0.3
130.93295	0.8
134.99634	12.0
140.00180	0.6
153.00670	0.9
153.01833	0.3
154.93254	0.4
172.94321	4.6
182.68527	0.3
186.00511	0.4
190.95369	4.3
197.95100	0.6
208.96489	0.9
211.00938	0.4
214.95320	2.1
219.01790	0.5
232.96426	6.9
237.02760	0.7
241.94044	0.3
250.97479	3.1
253.02055	0.4
256.96396	16.0
274.97464	100.0
275.97824	2.9
288.92203	0.3
292.98517	54.7
293.98822	1.3
297.99072	1.4
303.01199	0.3
310.99454	0.5
316.00168	0.4
390.95493	0.5
414.95279	3.2
415.09598	1.1
432.96429	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	415.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70000	1.4
50.86468	1.6
56.96560	37.2
59.94358	1.5
69.54432	6.0
76.31814	1.5
84.96017	11.7
85.02137	1.9
91.05784	2.0
98.97572	100.0
102.97119	2.1
110.97562	36.6
112.99095	2.3
116.98607	49.5
128.98590	43.7
128.99512	3.0
131.00151	7.2
134.99634	17.9
135.80269	1.5
136.07605	1.4
137.05971	7.8
139.28337	1.5
140.98576	3.0
143.00156	5.6
144.98044	3.9
146.63110	1.4
146.99625	25.8
149.01141	2.3
152.98560	6.6
158.99632	7.4
161.01141	8.2
170.99635	13.3
177.00716	6.5
179.02246	2.7
188.32942	1.5
188.89212	1.7
189.00623	9.2
193.01741	5.9
195.01726	1.8
196.00494	2.0
197.01224	2.7
201.00700	4.7
207.01791	2.0
211.02811	10.1
213.00681	2.8
214.01457	2.8
219.01733	55.2
229.03728	2.1
235.02818	7.3
237.02782	99.2
238.03123	3.5
245.04974	2.8
247.02675	9.1
253.03743	5.1
255.03877	7.5
256.96408	3.5
261.02637	3.0
265.03867	6.7
268.78180	1.6
274.97501	28.6
289.03781	5.6
292.98557	15.1
307.04953	4.5
337.05881	88.0
338.06192	5.6
344.97641	3.3
355.07007	20.7
368.95663	1.8
373.08066	30.7
415.08945	35.7
415.17056	1.7
416.09149	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	415.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59998	8.8
104.11722	6.5
154.74878	6.2
159.06090	8.8
161.07726	18.0
187.05606	33.1
205.06691	18.5
267.08295	14.6
285.09235	10.4
299.10043	8.4
300.08505	7.6
310.07999	8.4
317.11398	14.5
415.09885	100.0
416.10513	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	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25959	5.6
56.96564	32.8
58.94592	5.8
59.53820	6.2
70.06595	14.8
70.37177	12.8
81.86253	6.2
98.23217	11.9
98.97581	100.0
99.42761	5.8
101.00885	12.4
116.07209	5.3
116.98616	55.2
119.01912	16.3
131.01915	8.9
134.99641	22.6
145.03490	10.0
153.01799	51.4
161.02950	12.2
172.94344	6.7
173.02982	12.6
175.11877	11.5
183.01337	7.1
185.02881	8.8
187.05544	9.6
197.03114	5.7
209.02968	6.7
211.00887	86.5
219.01823	12.1
229.01993	20.6
235.00800	38.8
237.02676	11.6
247.02992	10.6
253.01869	76.9
256.96417	13.6
258.99869	6.4
271.02982	23.5
274.97424	89.3
292.98575	57.9
295.02911	9.2
313.03986	55.2
344.97314	6.4
355.04987	47.5
355.07922	5.2
373.05954	25.9
373.10095	9.5
414.97321	6.7
415.10019	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	415.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	9.5
58.08220	1.5
58.43170	1.6
62.82543	1.6
69.94665	5.9
98.97572	98.4
110.97520	2.9
116.98605	41.3
119.07211	1.7
130.93344	2.4
134.99629	13.3
141.18434	1.6
172.94386	3.4
190.95297	3.0
214.95464	4.1
219.01768	3.1
232.96521	8.1
237.02850	8.9
241.03790	2.0
250.97392	3.0
253.03493	2.1
256.96439	16.5
257.93591	1.9
274.97479	100.0
275.97754	2.4
292.98514	55.5
293.99030	3.0
367.06625	2.4
414.95215	4.0
415.09891	26.0
415.15054	3.5
432.96432	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49218	0.6
50.54649	0.7
61.81123	0.6
64.08350	0.6
67.05504	1.4
69.07057	1.1
69.71222	0.6
71.14806	1.0
81.07031	0.8
86.09680	0.8
89.51698	0.7
93.07040	1.4
95.08599	0.8
98.97572	1.1
100.02337	0.7
103.54779	0.6
105.07044	0.9
107.08578	1.2
109.10120	0.8
117.06997	0.6
119.08591	0.7
119.82230	0.6
121.10116	0.7
131.08542	0.9
133.06635	0.7
133.10083	1.1
143.08575	0.9
145.10025	0.9
147.11717	0.6
157.10152	0.8
218.05432	1.6
220.62404	0.6
371.16602	1.1
414.30960	1.0
415.13614	100.0
415.19135	7.0
416.13754	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	415.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01861	2.6
55.05500	3.2
57.07061	0.6
58.99581	11.5
59.04995	0.7
67.05494	9.1
68.99767	1.7
69.03422	67.7
69.06749	0.7
69.07059	6.7
69.69798	2.2
72.26730	0.6
73.01135	5.0
73.47663	0.6
75.02669	1.0
77.00600	1.1
79.05484	3.4
81.03391	0.9
81.07052	6.0
82.07396	1.0
83.04958	2.0
85.01128	5.1
86.98577	0.8
86.99055	9.4
87.00822	9.0
87.04443	1.9
89.00632	0.7
89.04290	0.7
91.05476	3.4
91.31257	0.7
93.07024	5.4
95.04945	3.3
95.08597	10.6
96.08925	0.8
97.06505	1.0
97.10194	0.7
99.02676	5.0
101.00585	1.1
103.02178	0.8
105.00081	3.7
105.06998	4.3
107.04940	0.7
107.08578	5.0
109.02872	12.5
109.06509	2.1
109.10144	19.2
110.10440	0.9
111.08040	0.8
111.11662	0.7
112.63779	0.7
113.00576	32.5
113.04214	4.4
113.05956	1.0
114.00921	0.7
117.03697	2.9
117.06999	1.5
117.37329	0.6
118.81240	0.7
119.01612	2.3
119.08568	3.8
121.06477	2.9
121.10122	3.9
121.11525	0.6
123.04414	1.0
123.08059	2.0
123.11697	2.1
129.06949	1.0
131.01614	7.2
131.04747	0.7
131.08548	2.8
133.10112	2.6
135.08072	1.1
135.11678	0.9
137.05925	3.2
137.09601	3.9
139.11171	9.6
141.03726	1.0
143.08545	1.8
145.03165	7.3
145.10121	3.2
146.10432	0.8
147.08020	0.8
147.11662	5.6
149.05920	1.0
149.13232	1.8
151.07549	2.1
157.10013	0.8
159.11644	1.7
161.09615	1.8
161.13208	1.8
163.04242	3.4
163.11203	1.6
165.09079	1.4
171.11664	1.4
173.02669	3.8
173.09517	1.1
173.13199	1.2
175.11203	1.2
175.14801	1.2
183.04732	57.4
183.11696	0.9
184.05022	2.5
187.14821	1.0
189.12737	4.3
191.00064	3.2
191.03677	3.1
195.11620	1.0
199.14780	0.9
201.12682	0.7
207.13757	3.3
213.16261	0.7
239.10979	100.0
240.11342	5.6
251.17918	0.8
255.17397	0.9
257.15369	0.7
257.22421	0.7
269.18942	1.3
271.20563	0.9
272.17325	0.9
283.13638	1.4
286.19229	1.1
287.19891	1.1
311.13071	1.4
329.14182	1.0
331.22742	1.7
351.30347	0.9
361.28638	0.8
379.29800	2.6
396.29779	3.1
397.30844	5.3
414.30887	2.2
415.19016	1.6
415.32056	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	415.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	0.8
65.03944	0.7
65.78142	0.7
67.05466	0.6
69.03410	1.6
69.07015	0.7
69.31793	3.6
70.54843	0.7
71.81399	0.6
79.05499	0.8
81.07046	1.8
83.04949	1.1
85.02892	1.6
87.04451	3.0
89.06024	28.0
90.06320	1.0
90.21554	0.7
91.05470	1.4
93.07014	1.2
101.05984	0.8
105.07015	1.0
107.08560	1.1
109.06451	0.9
109.10124	0.8
113.85717	0.6
119.08572	0.9
120.14899	0.6
120.25371	0.8
125.78320	0.7
129.05458	1.2
130.04964	0.7
131.07057	0.8
133.08589	13.1
133.10103	1.0
135.04408	7.2
137.05945	1.2
153.01752	1.1
159.12706	0.8
167.06874	0.9
167.10434	4.1
172.80312	0.6
177.11206	3.0
201.16850	0.7
204.23181	0.8
227.05185	1.3
235.17001	1.1
245.06316	1.3
253.14394	1.1
271.04199	1.3
287.03635	1.4
289.05264	4.1
295.06223	1.0
315.69681	0.8
321.25027	0.7
324.79791	0.7
329.15677	6.2
338.52591	0.8
353.15704	1.3
371.16724	38.2
372.17007	1.9
397.14520	1.4
415.15598	100.0
416.15958	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	415.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
67.05502	15.3
67.19532	3.8
68.99025	3.7
69.07072	17.5
79.05503	8.2
81.07045	15.3
85.33755	3.0
91.05442	27.9
93.07031	16.1
95.04961	4.2
95.08603	16.8
98.23443	7.1
98.97553	3.1
99.02645	3.1
103.05463	4.9
105.07003	17.9
107.08569	5.4
107.76819	2.9
109.06524	6.8
109.10147	14.0
110.10458	3.3
111.04405	3.3
115.04481	2.6
115.05400	15.3
115.34489	2.9
116.06230	3.3
117.07015	5.8
119.04935	5.1
119.08604	7.0
121.06451	4.1
121.10130	7.9
122.03699	5.6
123.08060	5.7
123.11671	5.2
128.05124	3.3
128.06219	10.3
129.07005	34.6
131.04903	11.4
131.08553	49.2
132.08887	3.6
133.06488	6.4
133.10135	5.6
134.29672	3.2
135.08038	4.2
137.05959	60.9
141.06975	37.3
143.08510	7.6
144.05684	7.5
145.06512	7.6
145.10075	5.9
146.07246	4.4
147.04384	11.8
147.11638	3.9
149.13113	3.0
149.60066	3.0
151.07510	20.1
155.08533	5.5
157.06453	27.6
158.07263	15.7
159.08022	30.6
160.05159	5.9
161.05949	30.2
161.09567	9.9
162.06743	20.7
163.07388	3.7
169.06435	13.7
170.07176	10.5
171.07933	6.3
172.08755	3.1
173.05902	6.4
173.09601	6.4
174.06749	70.7
174.08249	3.7
175.07492	17.4
176.40860	3.4
179.07010	4.6
182.07280	7.0
183.08122	4.0
185.09598	4.1
186.06706	14.0
187.07494	6.8
189.09077	87.8
197.09708	4.7
198.06766	11.7
199.07489	4.5
200.08307	4.3
201.09047	36.9
205.08543	4.3
207.13826	9.0
213.09114	18.1
215.10698	4.7
217.08585	8.1
219.08057	3.7
219.10115	100.0
220.10492	5.7
220.79184	3.0
225.09132	9.6
243.10155	12.3
253.19421	3.5
255.10211	3.7
273.11237	37.9
274.97372	6.0
347.13428	3.5
349.14139	5.8
351.49860	3.5
353.14133	3.6
354.14337	4.8
365.13806	7.9
367.15268	6.0
379.14996	3.9
379.30136	5.6
383.15027	10.1
396.30072	7.2
397.16382	46.4
397.30582	14.8
398.16714	5.3
414.30640	6.8
415.17606	60.4
415.26624	8.4
415.31665	23.8
416.17786	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	415.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.05502	4.4
57.07080	2.6
57.64129	2.4
59.28550	2.1
67.05502	10.5
69.07053	12.5
69.75831	5.6
69.76196	4.5
77.40096	2.4
79.05485	7.8
81.07056	18.2
87.00809	2.4
91.05463	24.5
93.07056	15.3
95.04972	3.8
95.08588	19.0
98.52316	2.5
98.97590	2.9
99.08082	2.7
103.05471	5.0
105.07006	15.0
107.04961	2.9
107.08589	10.0
109.02905	3.1
109.06514	3.0
109.10143	13.6
110.10480	4.8
111.08087	2.8
115.05455	10.3
116.06248	4.4
117.07029	4.7
119.04929	8.4
119.08558	7.9
121.10143	10.1
122.03653	3.5
123.08000	3.5
128.06206	8.6
129.07002	36.2
131.04901	6.9
131.08559	45.2
132.08890	6.7
133.06509	4.5
133.10098	8.0
135.11726	3.5
137.05971	46.7
141.06964	30.1
143.08578	5.8
143.19574	2.7
144.05696	6.5
145.06468	8.7
145.10104	5.8
146.07196	3.3
146.10579	3.3
147.04416	10.3
147.11693	6.7
149.05861	3.3
149.13177	3.9
151.03862	3.1
151.07559	20.7
155.08521	4.9
157.06470	23.6
157.10081	4.4
158.07254	16.1
159.04446	5.4
159.08051	25.9
159.11658	3.0
160.05254	3.2
161.05954	19.4
161.09575	8.1
161.13336	4.1
162.06773	20.0
165.06996	2.9
167.07034	3.6
168.02324	2.7
168.05661	3.3
169.06422	15.6
170.07249	8.2
171.08009	5.1
173.05936	4.4
173.09567	6.8
174.06747	68.6
175.02304	3.1
175.07480	11.8
179.06970	4.0
182.07294	5.4
185.09659	4.9
186.06781	15.6
187.07428	5.9
188.08302	3.2
189.09093	76.8
191.10635	5.9
197.09558	4.8
198.06789	8.4
199.07607	4.4
201.09122	30.9
207.13780	10.6
210.06763	2.5
213.07253	2.7
213.09055	13.8
215.10698	3.9
217.08618	5.0
219.10141	100.0
220.10445	3.1
223.60016	2.7
225.09132	4.1
239.93422	2.4
243.10193	12.8
273.11188	30.7
274.97403	6.1
305.11557	3.0
335.12753	3.2
365.13739	7.7
379.15686	4.3
379.29745	3.7
383.14987	7.3
397.16440	36.4
397.31006	13.8
398.17020	3.8
414.30603	5.7
415.17532	60.0
415.26602	9.8
415.31656	22.9
416.17856	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	415.1752
Annotation	Falconensin F
Peak:m/z	Relative Intensity
53.03938	4.6
55.05502	4.4
57.07080	2.6
57.64129	2.4
59.28550	2.1
67.05502	10.5
69.07053	12.5
69.75831	5.6
69.76196	4.5
77.40096	2.4
79.05485	7.8
81.07056	18.2
87.00809	2.4
91.05463	24.5
93.07056	15.3
95.04972	3.8
95.08588	19.0
98.52316	2.5
98.97590	2.9
99.08082	2.7
103.05471	5.0
105.07006	15.0
107.04961	2.9
107.08589	10.0
109.02905	3.1
109.06514	3.0
109.10143	13.6
110.10480	4.8
111.08087	2.8
115.05455	10.3
116.06248	4.4
117.07029	4.7
119.04929	8.4
119.08558	7.9
121.10143	10.1
122.03653	3.5
123.08000	3.5
128.06206	8.6
129.07002	36.2
131.04901	6.9
131.08559	45.2
132.08890	6.7
133.06509	4.5
133.10098	8.0
135.11726	3.5
137.05971	46.7
141.06964	30.1
143.08578	5.8
143.19574	2.7
144.05696	6.5
145.06468	8.7
145.10104	5.8
146.07196	3.3
146.10579	3.3
147.04416	10.3
147.11693	6.7
149.05861	3.3
149.13177	3.9
151.03862	3.1
151.07559	20.7
155.08521	4.9
157.06470	23.6
157.10081	4.4
158.07254	16.1
159.04446	5.4
159.08051	25.9
159.11658	3.0
160.05254	3.2
161.05954	19.4
161.09575	8.1
161.13336	4.1
162.06773	20.0
165.06996	2.9
167.07034	3.6
168.02324	2.7
168.05661	3.3
169.06422	15.6
170.07249	8.2
171.08009	5.1
173.05936	4.4
173.09567	6.8
174.06747	68.6
175.02304	3.1
175.07480	11.8
179.06970	4.0
182.07294	5.4
185.09659	4.9
186.06781	15.6
187.07428	5.9
188.08302	3.2
189.09093	76.8
191.10635	5.9
197.09558	4.8
198.06789	8.4
199.07607	4.4
201.09122	30.9
207.13780	10.6
210.06763	2.5
213.07253	2.7
213.09055	13.8
215.10698	3.9
217.08618	5.0
219.10141	100.0
220.10445	3.1
223.60016	2.7
225.09132	4.1
239.93422	2.4
243.10193	12.8
273.11188	30.7
274.97403	6.1
305.11557	3.0
335.12753	3.2
365.13739	7.7
379.15686	4.3
379.29745	3.7
383.14987	7.3
397.16440	36.4
397.31006	13.8
398.17020	3.8
414.30603	5.7
415.17532	60.0
415.26602	9.8
415.31656	22.9
416.17856	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	415.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42640	1.5
55.05508	4.4
57.03429	2.6
63.54655	1.4
67.05492	16.8
69.07066	4.2
79.05485	16.5
81.07043	19.3
83.08630	2.7
83.42271	1.8
85.06493	1.4
91.05460	15.0
91.05877	1.2
92.79155	1.4
93.07028	16.9
95.04971	2.2
95.08598	16.7
97.10136	1.6
98.98460	24.6
101.27823	1.5
105.07008	7.7
105.82620	1.6
106.80008	1.3
107.08598	13.0
109.10130	7.8
109.62979	1.4
114.07507	1.6
117.07034	3.8
119.08574	100.0
120.08894	4.1
121.10105	10.9
123.11672	4.1
130.32558	1.6
131.08571	8.3
133.10159	5.1
135.11676	11.6
145.10123	6.7
147.11679	5.0
149.13263	11.6
151.14760	1.7
155.01025	32.9
159.11720	4.6
161.13237	5.3
163.14833	6.6
173.13246	4.6
177.16502	2.2
187.14769	4.0
243.21082	12.8
261.22107	35.3
262.22363	3.4
298.62268	1.6
355.15372	1.8
383.78064	1.5
403.18430	1.8
415.17416	3.2
415.22418	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	415.2301
Annotation	Trp Pro Leu
Peak:m/z	Relative Intensity
57.03417	0.3
67.05481	0.5
70.75169	0.6
79.05499	0.5
80.68320	0.4
81.07047	0.6
85.02909	0.9
97.02888	0.5
97.06555	0.5
105.07030	1.0
107.08596	0.6
108.77676	0.4
109.06501	0.3
109.10146	0.4
122.63733	0.3
127.03934	0.6
137.05946	0.8
149.09700	0.5
153.01787	0.6
167.03375	0.5
192.42041	0.4
203.05217	0.5
235.17014	0.5
253.14421	0.8
355.42880	0.4
371.16824	1.3
415.16159	3.4
415.23001	100.0
416.23364	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	415.3202
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
51.38124	1.6
55.05504	13.4
57.07080	2.4
64.77839	1.4
65.03950	3.0
67.05496	36.8
69.07059	49.9
69.50890	3.5
69.51276	3.4
71.04968	1.9
71.08625	2.1
79.05479	11.7
81.07047	43.1
83.04951	2.9
83.08617	6.5
88.00829	1.6
91.05466	17.7
91.63297	1.6
93.07030	25.0
95.04952	6.6
95.08594	50.0
97.06519	5.3
97.10175	2.6
99.08101	8.2
105.07021	30.1
107.08584	25.1
109.06502	5.1
109.10141	98.1
110.10480	1.6
111.08075	3.7
111.11678	3.2
117.07028	8.8
119.08568	16.0
120.10386	1.4
121.06496	5.6
121.10109	14.1
123.08052	5.9
123.11694	5.8
125.09677	2.5
125.81026	1.4
127.11187	3.5
129.06975	5.5
130.07755	1.6
131.08557	15.9
133.10136	19.2
135.08046	5.7
135.11690	8.7
137.05949	1.5
137.09576	2.8
137.13213	2.0
141.07028	2.6
142.07741	2.6
143.08566	10.0
145.10104	23.8
147.08075	4.2
147.11650	12.9
149.09605	3.2
149.13289	4.8
151.14822	1.7
153.12737	6.1
155.08571	7.1
157.10106	20.2
159.08058	2.3
159.11665	20.0
161.09592	4.9
161.13235	9.6
167.07082	1.8
169.10146	8.3
171.11691	9.0
173.09607	5.0
173.13277	8.8
175.11183	10.5
175.14792	3.5
177.12675	1.7
177.16403	3.4
181.04994	3.4
181.10103	1.9
183.11681	7.1
185.13315	8.6
187.11189	3.6
187.14757	7.6
189.16379	3.9
194.10800	2.0
195.11679	4.9
197.13202	6.3
199.14777	6.8
201.12711	3.0
201.16388	12.5
203.17947	2.3
207.11649	2.1
209.13245	4.9
211.14795	10.8
213.16386	6.1
215.14279	2.1
217.15997	2.3
223.14816	4.2
225.16353	3.9
227.17953	4.7
229.15836	8.7
231.17323	3.0
237.16412	3.7
239.17757	2.9
241.15918	1.6
245.19104	2.3
247.16924	3.0
249.16280	2.0
251.17937	4.5
253.19490	4.3
255.17422	4.4
269.19000	4.6
271.20618	1.9
273.18427	1.7
277.19635	2.5
279.21198	3.0
285.18579	2.9
286.19269	2.0
287.19995	6.9
299.23648	2.7
305.22559	3.7
311.23849	2.1
323.23563	12.8
341.24762	5.7
361.28818	12.9
379.29907	31.0
380.29907	3.0
397.30945	100.0
398.31351	9.2
415.16949	4.1
415.27267	1.6
415.31964	40.6
415.37433	2.2
416.32419	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
53.03927	0.9
55.01854	1.0
55.05505	5.4
57.03427	2.9
57.07066	1.6
57.41388	0.6
62.57535	0.7
65.03919	1.2
67.05495	9.1
69.03417	2.4
69.07063	23.4
69.40338	1.3
69.40727	1.6
70.07394	0.9
71.04988	2.1
71.08604	1.0
73.06541	0.9
77.03883	0.7
79.05486	10.3
81.03398	1.5
81.07049	43.6
83.04973	1.6
83.08592	2.8
85.02888	2.3
85.06532	1.9
91.05450	9.1
91.05890	0.7
93.07037	17.0
95.04965	2.9
95.08600	33.5
96.08904	1.5
96.81955	0.7
97.02908	0.8
97.06535	4.9
97.10158	2.5
99.04456	1.0
99.08088	17.0
105.04501	0.7
105.07022	12.5
107.04944	2.9
107.08584	18.5
109.02867	1.1
109.06525	2.5
109.10139	15.3
110.10457	1.0
111.04386	0.9
111.08079	1.6
113.09624	2.8
115.05454	1.3
115.07543	0.8
117.06997	2.6
119.08553	7.5
121.06496	5.2
121.10134	11.8
123.08063	5.8
123.11697	4.6
125.09615	2.5
127.03912	1.3
127.11179	13.1
128.06252	1.4
129.06926	4.3
131.04939	0.8
131.08556	9.4
133.06522	0.9
133.10129	8.2
134.23293	0.7
135.08026	5.5
135.11687	7.9
137.05981	4.3
137.09619	3.1
137.13327	0.8
139.07608	0.8
139.11252	0.8
141.06985	2.6
141.13036	0.8
142.07741	0.9
143.08488	3.8
143.10686	0.9
145.06442	1.3
145.10133	8.1
146.10464	0.9
147.08035	1.7
147.11674	9.3
149.09572	4.2
149.13237	9.4
151.03917	0.9
151.07524	0.8
153.12767	1.4
155.08530	2.5
157.06517	1.6
157.10100	6.4
158.07214	2.5
159.08014	2.4
159.11699	7.3
161.05981	1.5
161.09599	5.5
161.13213	4.2
162.06786	1.0
163.11220	2.6
163.14859	2.4
164.07039	0.8
165.06975	0.8
167.07051	2.3
168.09380	0.7
169.06416	0.9
169.10118	2.6
171.07924	0.8
171.11726	2.6
172.11803	0.7
173.09671	4.5
173.13237	3.3
174.06752	4.6
175.07477	2.1
175.11172	7.6
175.14801	2.1
177.12721	1.1
177.16357	5.3
181.04967	2.5
181.10168	1.1
183.11678	2.6
185.13252	2.9
187.07535	1.0
187.11263	1.0
187.14793	3.5
189.09094	4.4
189.12683	1.5
189.16357	0.9
195.06519	2.4
195.11653	1.1
197.13266	2.8
199.11104	0.8
199.14815	3.5
201.09067	3.1
201.12747	0.8
201.16403	3.6
203.14374	1.3
205.08627	1.0
207.76878	0.7
209.13266	1.3
211.14830	3.3
213.09123	1.1
213.16371	1.9
215.17909	1.1
217.08574	1.4
217.15825	1.6
219.10098	3.4
223.14832	1.1
225.16479	1.5
227.14272	1.0
227.17990	1.5
229.15915	1.9
229.19444	1.0
237.16452	1.5
239.17967	2.0
241.19560	1.5
243.10323	1.2
243.17445	0.7
251.17854	3.4
253.19646	5.0
255.17390	1.1
269.18997	6.6
271.20538	7.6
273.11224	3.0
277.19324	0.7
279.10184	0.8
281.22424	1.5
283.24261	1.8
286.19269	1.2
287.20010	9.7
299.23639	4.7
303.19724	0.9
305.22723	1.1
311.23358	1.0
317.24539	1.7
323.23605	1.4
337.59280	0.9
341.24597	1.3
361.29181	1.4
371.16864	2.5
379.29871	4.7
397.16748	3.7
397.31052	17.2
398.31393	1.6
415.16577	5.4
415.22763	5.6
415.32010	100.0
416.23087	0.9
416.32376	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	415.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.5
55.27503	1.1
57.07070	1.3
67.05495	17.3
69.03417	3.9
69.07060	26.2
69.68239	1.0
79.05475	8.0
81.03381	1.5
81.07053	20.5
82.07374	1.3
83.04980	1.4
83.08607	3.0
85.06552	1.6
91.05457	8.7
93.07035	15.2
93.21161	1.1
95.04943	4.3
95.08596	31.3
95.09206	1.7
96.08929	1.7
97.06541	2.8
97.10184	1.5
99.08076	3.8
105.07019	15.8
107.04953	1.5
107.08576	14.1
109.06497	2.0
109.10140	35.9
109.10886	2.1
111.08086	2.1
111.11736	3.2
117.07012	4.8
119.08559	11.3
121.06531	4.6
121.10110	8.1
123.08070	6.1
123.11703	3.3
125.09612	1.5
127.11182	2.6
129.07005	2.1
131.08548	8.8
133.10121	11.2
135.08101	1.7
135.11694	4.9
139.11037	1.2
141.03816	1.0
141.06975	1.6
143.08560	6.0
144.09293	1.3
145.10106	11.3
147.08038	1.7
147.11674	10.7
149.09607	1.6
149.13280	3.4
151.11185	1.4
151.14735	1.5
153.12779	1.7
155.08566	4.0
157.10136	9.7
159.08070	1.8
159.11673	12.0
161.09608	3.3
161.13260	3.8
163.11214	1.3
163.14824	1.4
169.10118	3.1
171.11684	5.8
173.09581	9.6
173.13272	4.8
175.11223	6.8
175.14784	2.6
177.16415	2.1
181.04970	2.3
181.10112	1.7
183.11754	6.2
185.13297	5.6
186.10258	1.1
187.11172	1.6
187.14819	3.8
189.12750	2.0
189.16493	1.3
195.06572	1.8
195.11742	2.1
197.13213	5.8
198.13800	1.4
199.11189	2.2
199.14856	4.7
200.11938	1.9
201.12782	3.4
201.16394	3.3
209.13332	2.0
211.14819	4.9
213.12749	1.6
213.16415	3.8
214.16736	1.4
215.14281	2.5
217.15837	1.3
223.14726	2.5
225.16457	6.2
227.00162	1.1
227.14320	1.9
227.17952	2.1
229.15816	4.0
231.17729	1.1
235.14877	1.2
237.16299	1.5
239.10822	1.3
239.17984	3.7
240.18660	5.6
241.15752	1.3
241.19527	3.0
243.17545	1.3
251.17952	4.2
253.15959	3.8
253.19525	3.5
257.22491	1.2
267.17450	3.9
268.18124	9.7
269.18857	7.2
271.17163	2.3
271.20538	2.1
281.22659	1.3
285.18451	17.2
285.21420	2.0
286.19223	34.0
287.20013	7.3
305.22452	1.5
311.23740	2.0
314.17456	1.0
323.23578	2.7
341.24918	3.1
361.28879	4.6
373.66013	1.2
379.29929	20.4
380.30222	2.7
397.30960	100.0
398.31372	9.6
400.29382	1.2
415.19217	8.4
415.32022	37.6
416.32407	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	415.3206
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
55.05508	5.5
55.27503	1.1
57.07070	1.3
67.05495	17.3
69.03417	3.9
69.07060	26.2
69.68239	1.0
79.05475	8.0
81.03381	1.5
81.07053	20.5
82.07374	1.3
83.04980	1.4
83.08607	3.0
85.06552	1.6
91.05457	8.7
93.07035	15.2
93.21161	1.1
95.04943	4.3
95.08596	31.3
95.09206	1.7
96.08929	1.7
97.06541	2.8
97.10184	1.5
99.08076	3.8
105.07019	15.8
107.04953	1.5
107.08576	14.1
109.06497	2.0
109.10140	35.9
109.10886	2.1
111.08086	2.1
111.11736	3.2
117.07012	4.8
119.08559	11.3
121.06531	4.6
121.10110	8.1
123.08070	6.1
123.11703	3.3
125.09612	1.5
127.11182	2.6
129.07005	2.1
131.08548	8.8
133.10121	11.2
135.08101	1.7
135.11694	4.9
139.11037	1.2
141.03816	1.0
141.06975	1.6
143.08560	6.0
144.09293	1.3
145.10106	11.3
147.08038	1.7
147.11674	10.7
149.09607	1.6
149.13280	3.4
151.11185	1.4
151.14735	1.5
153.12779	1.7
155.08566	4.0
157.10136	9.7
159.08070	1.8
159.11673	12.0
161.09608	3.3
161.13260	3.8
163.11214	1.3
163.14824	1.4
169.10118	3.1
171.11684	5.8
173.09581	9.6
173.13272	4.8
175.11223	6.8
175.14784	2.6
177.16415	2.1
181.04970	2.3
181.10112	1.7
183.11754	6.2
185.13297	5.6
186.10258	1.1
187.11172	1.6
187.14819	3.8
189.12750	2.0
189.16493	1.3
195.06572	1.8
195.11742	2.1
197.13213	5.8
198.13800	1.4
199.11189	2.2
199.14856	4.7
200.11938	1.9
201.12782	3.4
201.16394	3.3
209.13332	2.0
211.14819	4.9
213.12749	1.6
213.16415	3.8
214.16736	1.4
215.14281	2.5
217.15837	1.3
223.14726	2.5
225.16457	6.2
227.00162	1.1
227.14320	1.9
227.17952	2.1
229.15816	4.0
231.17729	1.1
235.14877	1.2
237.16299	1.5
239.10822	1.3
239.17984	3.7
240.18660	5.6
241.15752	1.3
241.19527	3.0
243.17545	1.3
251.17952	4.2
253.15959	3.8
253.19525	3.5
257.22491	1.2
267.17450	3.9
268.18124	9.7
269.18857	7.2
271.17163	2.3
271.20538	2.1
281.22659	1.3
285.18451	17.2
285.21420	2.0
286.19223	34.0
287.20013	7.3
305.22452	1.5
311.23740	2.0
314.17456	1.0
323.23578	2.7
341.24918	3.1
361.28879	4.6
373.66013	1.2
379.29929	20.4
380.30222	2.7
397.30960	100.0
398.31372	9.6
400.29382	1.2
415.19217	8.4
415.32022	37.6
416.32407	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	415.3207
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
53.03926	2.0
55.05506	10.1
57.07064	5.7
58.99575	2.6
67.05501	20.3
69.03421	3.3
69.07063	21.0
69.73922	2.9
71.04975	2.4
71.08618	3.3
71.33334	1.4
75.83406	1.4
79.05488	12.4
81.03387	3.5
81.07052	36.4
83.04975	2.9
83.08623	6.1
83.36754	1.4
85.06526	2.2
91.05470	15.3
93.07038	21.6
95.04970	3.6
95.08601	52.6
95.09212	2.5
97.06523	4.6
97.10175	3.0
99.08083	8.5
105.07023	26.2
107.04928	3.0
107.08577	22.7
109.06509	5.4
109.10147	30.3
111.08079	3.3
111.11761	2.9
115.05500	2.5
117.07017	5.6
119.08571	17.2
121.06487	5.2
121.10126	13.7
123.08055	4.8
123.11707	8.5
125.09629	2.1
127.03999	1.6
127.11208	4.7
129.03711	5.1
129.07057	4.5
131.01595	3.7
131.08542	15.1
133.10118	100.0
135.08018	2.2
135.11685	9.5
137.09598	3.6
137.13260	4.3
139.07513	2.1
143.08539	6.1
145.10118	16.4
147.08057	3.6
147.11708	11.2
149.09639	4.2
149.13252	6.2
151.07483	1.7
151.14810	4.7
155.08545	6.4
157.10110	9.6
159.08063	3.6
159.11639	10.7
161.09599	4.7
161.13280	4.9
163.11176	4.5
163.14815	4.2
165.16473	1.7
169.10098	4.8
171.11650	6.6
173.09624	4.3
173.13266	5.6
173.20737	1.5
175.11189	6.8
175.14798	3.3
177.12743	1.7
177.16356	7.9
181.10048	1.9
183.11665	4.8
185.13258	5.8
187.11174	2.9
187.14752	2.5
188.88359	1.9
189.09142	1.6
189.12762	4.1
189.16396	1.8
191.10655	2.1
191.17931	1.6
193.10231	2.2
193.12308	2.1
195.11682	2.4
197.13287	5.3
199.14793	5.2
201.12791	3.4
201.16359	4.0
203.14343	2.3
203.17947	5.8
207.13794	2.8
209.13260	4.0
211.11227	2.1
211.14828	3.2
213.12801	2.5
215.14328	4.4
217.16052	2.3
221.15405	1.7
223.14868	2.4
225.16486	4.0
227.14333	2.8
227.17914	1.7
229.15804	3.5
229.19452	1.8
233.15341	2.1
235.16925	1.8
237.16385	2.9
239.10956	2.3
239.17857	3.6
241.16049	1.9
243.17569	1.7
249.16386	3.1
251.18156	1.9
253.15907	1.6
253.19463	2.2
255.17380	1.9
257.19000	3.8
257.22623	2.2
259.16806	1.7
261.18460	2.4
267.17422	5.4
269.18954	3.8
271.17004	3.2
273.18375	1.9
285.18481	8.6
285.21890	2.8
286.19333	3.7
287.20029	3.0
289.17996	3.2
291.19537	2.7
295.20471	2.6
303.19431	11.5
313.21582	2.4
323.23587	2.5
331.22443	2.2
332.41211	1.7
333.24200	2.8
341.24768	2.6
361.28763	2.7
369.31561	8.1
379.29813	17.4
397.31000	44.6
398.31335	3.8
415.32016	80.2
416.32343	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	415.3203
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
55.05497	11.1
57.07063	4.1
57.49683	2.1
59.97280	2.1
67.05498	26.8
69.06705	3.7
69.07060	46.8
69.29124	5.2
69.29510	5.3
71.08585	2.8
79.05479	15.2
81.07045	45.0
83.08605	6.4
91.05432	25.9
93.07034	30.5
95.04964	6.2
95.08595	61.8
97.06533	2.6
97.10165	5.1
98.97578	4.8
99.08094	5.7
102.18053	2.3
103.05441	2.2
105.06334	4.2
105.07012	43.2
107.04933	5.2
107.08591	21.8
109.06543	4.9
109.10138	30.2
111.11700	9.3
114.42305	2.1
115.05428	1.9
116.98643	2.7
117.07014	14.6
119.08573	19.4
121.06467	6.5
121.10136	22.5
123.08056	8.8
123.11692	17.8
127.11201	5.2
128.06209	2.6
129.06956	10.6
131.08542	23.3
133.10118	35.0
135.08047	2.1
135.11691	11.6
137.05962	4.3
137.09636	2.9
137.13255	3.9
139.11148	2.9
141.06979	6.0
142.07712	5.6
143.08571	14.7
145.10117	28.6
147.11696	19.4
149.09579	3.8
149.13252	10.2
155.08524	10.1
157.10115	29.0
159.11678	19.4
161.09618	3.3
161.13258	7.2
163.14830	2.7
169.10109	8.7
171.11626	10.8
173.09581	5.0
173.13245	8.6
175.11208	5.8
175.14813	3.1
177.16353	3.3
179.08684	2.1
181.08575	2.5
181.10080	2.7
183.11720	11.1
185.13200	11.8
187.11186	2.5
187.14754	5.2
189.12686	5.0
189.16353	2.8
195.11633	8.6
197.13251	6.7
199.14786	9.3
201.12827	4.9
201.16406	5.4
203.17885	3.0
205.31046	2.5
209.13211	6.3
211.14828	9.8
213.16295	3.7
215.14297	2.9
223.14798	3.4
225.16364	4.9
227.14255	4.6
227.17892	3.0
235.14827	3.5
237.16310	5.6
239.17975	4.5
241.19325	3.1
251.17892	6.6
253.15691	2.8
253.16479	2.2
253.19493	43.1
255.17540	2.7
257.18967	2.5
257.22620	5.0
265.08524	5.0
267.17609	3.6
267.21057	4.1
269.19016	7.3
271.20502	10.5
274.97546	3.2
277.19284	2.7
281.08136	2.5
285.18445	3.6
287.20038	3.9
292.98593	4.8
296.10272	6.9
309.11359	3.5
313.21634	2.6
323.23557	2.8
331.22617	11.6
340.12811	12.5
349.28845	4.5
353.26346	2.7
361.28851	12.1
367.29834	9.6
369.31277	4.1
379.29907	37.1
397.31003	60.0
398.31390	6.1
415.17990	4.0
415.26901	11.9
415.31976	100.0
416.32303	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	416.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13625	0.2
55.01859	0.3
58.44986	0.2
67.05489	0.3
69.03416	0.6
69.07048	0.2
69.84532	0.4
69.84924	0.4
71.29457	0.2
77.03897	0.2
79.05473	0.9
80.04990	0.5
81.03423	0.4
81.05776	0.4
81.07037	0.6
84.99056	0.2
85.02882	0.6
89.48758	0.2
91.05450	0.7
92.06248	0.4
93.05767	0.3
93.07016	0.6
94.06553	1.0
95.04920	0.3
95.08591	0.4
99.04436	0.2
103.05478	0.2
105.07026	1.8
106.06523	1.1
106.09315	0.2
107.04959	0.2
107.07323	6.5
109.02852	0.3
117.05724	0.3
118.01270	0.2
120.08059	0.4
121.08875	0.7
122.09652	11.9
123.10001	0.5
127.03881	0.4
132.08109	0.3
135.06783	2.6
138.09131	0.3
150.09122	100.0
151.09474	3.2
159.02931	0.2
167.07002	0.9
168.10141	1.6
245.53133	0.2
251.88000	0.2
417.17123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53698	1.0
69.46698	5.0
85.02919	1.1
91.05469	2.3
106.12030	1.0
115.05447	1.5
145.06435	1.3
146.70230	1.0
160.05214	2.0
167.06990	1.3
174.06763	3.5
175.07530	11.2
178.92313	1.1
183.72813	1.0
197.57501	1.2
219.10138	100.0
220.10487	4.2
222.93233	1.3
256.79340	1.3
417.17169	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	416.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
53.58820	0.2
55.05505	0.8
65.03916	0.2
67.05494	0.8
69.03421	0.4
69.07067	0.9
70.93001	0.2
71.08623	0.3
79.05493	1.4
81.03397	0.4
81.07056	1.3
83.05016	0.2
83.08608	0.3
85.02914	0.9
88.71825	0.2
89.67073	0.2
91.05470	3.6
92.98515	0.2
93.07043	1.8
94.07315	0.2
95.04949	0.6
95.08595	1.3
97.02876	0.4
99.04462	0.2
101.92488	0.2
103.05451	0.7
105.07024	17.2
106.04222	0.2
106.07360	0.5
107.04932	0.4
107.08621	0.9
109.10133	1.2
110.10477	0.2
115.05458	0.5
117.06982	1.1
118.07790	1.2
119.08574	0.4
121.10135	0.4
123.04489	0.2
123.11703	0.2
127.03905	0.3
131.04941	0.3
131.08562	2.5
133.10118	100.0
134.10449	3.5
135.08026	0.2
137.05937	0.2
139.88559	0.2
141.01202	0.2
143.08568	0.3
144.08916	0.2
145.06554	0.3
145.10049	0.6
147.11693	0.5
149.13280	0.2
157.10052	0.4
159.07954	0.2
159.11681	0.5
160.12088	0.2
161.13226	0.2
163.07498	0.3
167.07036	3.1
167.08455	0.3
171.11737	0.3
173.05977	0.4
173.09653	0.3
173.13239	0.2
175.11174	0.4
181.04945	2.1
184.12036	0.2
186.13651	0.2
191.06993	1.0
199.14740	0.2
210.17047	0.2
215.14195	0.2
223.14796	0.2
233.08109	0.3
253.15945	0.2
267.17374	0.2
268.18155	0.3
269.18625	0.3
286.19193	0.5
287.19931	0.4
287.27655	0.2
379.30090	0.4
380.30420	0.5
387.14307	0.7
387.50015	0.2
397.30936	0.7
398.31451	1.1
415.32150	0.6
416.32455	0.7
417.15353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
53.76548	0.1
55.05503	0.6
57.06662	0.1
57.07039	0.2
65.03926	0.3
67.05499	0.7
69.03407	0.3
69.07061	0.6
70.59103	0.3
73.02861	0.1
77.03925	0.2
79.05500	1.1
79.56364	0.2
81.03400	0.5
81.07050	1.0
83.04950	0.2
83.08594	0.2
85.02895	0.6
87.00819	0.3
91.05471	3.9
92.05762	0.1
93.07037	1.7
95.04948	0.5
95.08596	1.3
96.08920	0.1
97.02883	0.4
97.06522	0.3
97.10165	0.2
102.09132	0.1
103.05463	0.9
105.01855	0.2
105.07021	16.3
106.07355	0.7
107.04962	0.3
107.08603	0.8
108.04436	0.2
109.02884	0.4
109.06502	0.2
109.10134	1.1
110.10481	0.1
115.05417	0.8
116.06232	0.2
117.06995	0.9
118.07821	1.1
119.08585	0.4
120.08877	0.1
121.06493	0.1
121.10115	0.3
122.69284	0.1
123.04411	0.5
123.08062	0.3
126.05497	0.2
127.03925	0.4
129.06958	0.3
131.04890	0.3
131.08557	2.2
132.08871	0.2
133.10115	100.0
134.10446	3.2
135.11671	0.3
143.08559	0.4
145.06497	0.3
145.10135	0.7
147.08043	0.2
147.11699	0.5
148.05183	0.3
149.13298	0.2
150.12753	0.2
151.03853	0.1
151.07545	0.1
151.11189	0.2
152.31412	0.1
155.06039	0.3
155.08458	0.2
157.10085	0.3
159.08000	0.1
159.11694	0.4
159.40491	0.1
161.06067	0.1
161.09657	0.1
163.07579	0.2
167.07018	3.8
169.10143	0.2
171.11723	0.3
173.05991	0.6
175.11209	0.4
181.04950	1.9
185.13307	0.1
186.13762	0.2
187.11182	0.2
191.07031	1.1
195.06343	0.2
199.11163	0.2
199.14784	0.2
210.13766	0.1
211.14926	0.2
213.16414	0.2
223.11145	0.2
233.08096	0.4
235.09688	0.2
239.17964	0.2
241.12186	0.2
253.15936	0.2
264.03961	0.1
267.17361	0.2
268.18121	0.4
269.18768	0.3
285.18515	0.2
286.19211	0.2
287.19803	0.2
324.24323	0.1
362.29147	0.2
379.29929	0.3
380.30179	0.3
387.14432	0.5
397.30978	0.9
398.31442	1.0
415.32175	0.5
416.32593	1.0
417.15317	0.8
432.90903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	9.6
69.87866	5.3
77.49150	1.5
80.49409	2.0
98.23343	2.1
98.97571	100.0
100.97173	3.0
100.98038	1.9
116.98612	47.6
118.98206	2.0
134.99637	12.2
153.00676	3.1
157.63635	1.7
172.94380	4.1
190.95448	3.5
214.95432	3.0
232.96426	7.3
249.04251	1.7
250.97446	3.6
256.96429	15.3
258.99753	7.1
260.00034	2.3
260.99802	1.8
261.02820	2.0
265.84332	1.9
274.97482	97.9
275.97861	4.2
276.97586	13.4
277.00833	8.6
279.00504	2.3
292.98520	56.9
294.98596	8.4
297.99152	2.1
301.01108	4.5
303.00977	3.3
316.98770	3.1
398.97467	5.5
416.98627	8.1
434.95535	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41055	13.2
63.73727	15.0
67.05489	20.7
68.67735	14.2
69.35165	52.1
69.35570	31.4
72.08754	12.8
79.05474	25.5
79.74447	14.1
81.07039	38.3
85.02892	16.3
91.05459	27.3
93.07046	36.0
95.08611	30.7
105.07008	17.2
107.08604	29.0
119.08553	16.2
121.10083	17.1
126.59002	14.4
137.05997	22.7
167.07043	100.0
176.58658	16.5
181.04930	23.1
219.10107	46.7
220.10400	21.7
236.73894	14.2
255.06627	19.1
405.82776	16.9
416.27258	17.2
417.13092	69.3
417.20959	29.0
417.28320	35.3
418.22006	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23240	11.2
79.05506	12.0
81.07072	16.8
91.05470	24.9
93.07022	72.2
107.08593	18.3
111.08056	21.9
114.13049	11.8
121.10172	19.3
137.05933	12.9
161.06035	11.7
167.07059	55.2
175.07219	13.1
181.04964	31.9
192.78690	11.4
259.26059	12.6
271.02237	15.8
283.02298	100.0
299.05627	24.0
325.06946	27.5
327.04999	93.7
371.07574	42.1
417.16724	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	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.00285	0.3
54.20089	0.4
55.01848	1.6
56.88694	0.4
59.29766	0.4
65.03930	6.8
67.05482	2.0
69.03413	0.7
69.07035	0.6
71.04938	0.4
73.49275	0.4
75.67364	0.4
77.03910	0.7
78.04697	2.8
79.05048	0.5
79.05476	4.9
79.33894	0.4
81.03396	1.1
81.07029	1.2
82.04195	1.9
85.02891	3.7
89.03871	0.4
90.04663	0.5
91.05460	4.0
92.02558	0.4
93.03376	1.5
93.07039	0.5
94.04196	0.5
95.04958	4.2
95.08569	0.9
97.06501	1.7
98.23448	0.6
102.04655	1.2
103.05450	22.5
104.05763	0.7
105.03370	2.2
105.04504	1.3
105.07015	4.1
106.04159	2.5
107.04935	7.3
107.08596	0.8
108.02057	1.3
109.06493	1.0
109.10118	0.7
110.03652	3.0
110.10499	0.4
111.04414	1.2
115.05423	5.6
117.06998	6.7
118.04133	6.3
119.04930	2.5
119.08543	0.7
120.02031	0.3
120.05682	1.2
121.06488	1.6
122.03618	0.9
123.04405	8.4
124.05204	3.1
125.05991	2.4
127.05400	0.6
128.06212	0.4
129.07004	0.9
130.04144	2.8
130.78081	0.4
131.04904	20.3
131.08562	0.9
132.05655	1.6
132.21944	0.4
133.02840	3.1
133.06453	3.7
134.03578	1.7
135.04398	0.4
135.08012	1.5
137.02290	0.4
137.05948	2.0
138.03105	1.6
142.02614	0.7
143.04901	0.5
144.05635	1.0
145.06464	9.3
146.03566	1.6
146.06815	0.5
147.04320	0.6
147.08049	0.9
148.05164	13.8
149.05965	1.9
151.03889	1.7
151.07552	0.6
152.04649	2.1
153.05421	3.9
155.05989	4.1
157.06462	0.8
158.80408	0.4
159.07986	1.0
160.05173	0.5
161.05965	2.3
163.07507	21.8
164.07851	0.5
165.05525	0.9
165.09067	0.8
166.02609	0.8
167.07008	100.0
168.07382	2.6
171.06516	5.7
172.05191	0.4
173.05956	15.7
175.07515	1.9
176.04652	2.7
177.05457	0.7
179.06958	1.1
181.04921	74.4
182.05290	2.0
183.06445	0.4
185.05888	0.4
187.07503	2.1
189.05424	0.4
191.06996	68.9
192.07352	3.2
193.04805	0.5
193.08594	1.4
195.06512	3.1
201.05409	1.4
203.06897	0.8
205.06616	0.6
205.08530	4.0
207.06488	1.6
207.08289	0.4
207.10153	1.1
209.06117	0.5
209.08009	1.3
217.08467	0.8
219.06174	0.5
219.08141	0.7
219.10146	2.9
221.08029	1.0
224.08162	0.4
225.07484	0.6
231.06483	0.5
233.08037	10.0
235.07381	0.6
235.09593	5.5
245.07988	0.8
263.06726	0.7
263.09152	2.6
264.07739	0.6
265.08490	0.6
267.10022	0.9
283.09662	0.4
293.08017	0.5
295.09387	0.6
297.11185	1.0
307.09436	0.8
320.67947	0.4
325.10699	1.5
337.10510	0.6
339.12152	0.9
355.11768	0.6
357.13193	1.0
367.11523	1.1
381.13501	1.0
385.12698	2.8
387.14316	12.7
388.14651	0.8
399.14398	1.6
417.15356	26.6
417.33582	0.5
418.15976	2.1
418.20856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03925	0.6
55.01860	0.7
65.03945	3.7
67.05479	1.8
69.03400	0.6
70.11375	1.0
70.11684	0.5
77.03893	0.6
78.04704	2.7
79.05483	3.9
81.03400	0.5
82.04186	1.6
85.02901	2.4
91.05462	2.4
93.03378	0.7
93.07053	0.5
95.04964	2.6
97.06523	1.4
98.22839	0.6
98.23376	0.7
103.05469	10.9
105.03402	1.1
105.04516	0.6
105.07007	1.4
106.04156	1.9
107.04951	5.8
110.03640	1.8
111.04475	0.7
115.05443	5.0
117.07014	6.2
118.04140	2.6
119.04913	1.4
121.06487	0.6
123.04431	6.6
124.05214	2.9
125.05960	1.5
127.05398	1.2
130.04138	1.0
131.04916	9.0
132.05731	0.5
133.02834	1.8
133.06471	2.6
134.03648	1.3
135.08034	0.8
137.05963	1.0
138.03120	1.0
142.02615	0.5
143.04854	0.5
144.05733	0.5
145.06476	7.9
146.03665	0.8
146.06810	0.6
147.08063	0.7
148.05176	6.5
149.05849	0.7
151.03865	1.5
152.04652	1.8
153.05449	3.4
155.04880	0.8
155.06012	4.5
155.07114	0.7
159.08075	0.7
161.05983	1.5
163.07536	9.9
167.07030	100.0
168.07376	2.4
171.06534	3.4
173.05975	14.5
175.07538	0.9
176.04655	1.4
181.04947	53.9
182.05199	2.4
187.07478	0.8
189.05478	0.5
191.07022	30.7
192.07385	1.0
193.08545	0.9
195.06512	1.1
201.05486	0.8
205.08574	4.2
207.06578	0.6
207.10089	0.7
209.08076	1.3
217.08606	1.2
219.10138	1.6
233.08112	8.5
235.07602	0.7
235.09657	3.8
245.08087	0.6
263.09177	1.4
265.08759	0.5
267.10202	0.6
277.08820	0.5
294.08630	0.4
295.09930	0.5
305.33002	0.4
307.09500	0.6
309.07669	0.6
325.10733	0.6
329.10217	1.2
355.11859	0.5
357.13208	1.3
371.14496	0.7
381.13174	1.1
385.12872	1.4
387.14322	11.8
388.14679	0.7
399.14554	1.2
416.28760	0.9
417.15439	22.7
417.28644	0.6
418.15891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03942	0.5
55.01842	0.9
55.05484	0.4
57.03427	0.3
62.96390	0.3
64.41642	0.3
65.03932	3.6
67.05476	1.3
67.21204	0.3
69.03402	0.3
69.07029	0.4
69.14821	1.4
77.03913	0.4
78.04688	3.1
79.05087	0.4
79.05477	3.3
81.03398	0.6
81.07004	0.5
82.04173	1.1
83.08586	0.4
85.02889	1.9
91.05457	1.5
93.03361	0.9
93.07023	0.7
95.04956	2.3
96.05693	0.3
97.06502	1.2
99.09840	0.3
100.11225	1.1
102.04610	0.3
103.05458	5.4
105.03379	0.3
105.04483	0.8
105.06984	1.2
106.04138	2.0
107.04942	5.5
107.08578	0.4
108.02069	0.9
109.06484	0.4
109.10126	0.5
110.03665	1.7
111.04400	1.0
115.05434	3.6
117.06998	6.2
118.04137	1.2
119.04891	0.4
119.08493	0.3
120.05662	0.3
120.11765	0.3
122.03616	1.0
123.00793	0.3
123.04414	7.4
124.05213	2.5
125.05938	1.1
127.05427	1.1
128.26344	0.3
130.04112	0.5
131.04912	4.8
132.05698	0.5
133.02797	0.6
133.06479	0.8
134.03583	0.7
135.04356	0.4
135.08014	0.3
137.02242	0.4
137.05917	0.9
138.03062	1.2
142.02646	0.5
143.04875	0.5
144.05658	0.8
145.06458	9.3
146.03574	0.3
146.06825	0.6
147.07986	0.8
148.05174	4.1
149.05942	0.4
151.03864	1.2
152.04642	2.3
153.05383	2.4
154.12183	0.3
155.04883	0.6
155.06013	4.4
160.05176	0.3
161.05948	1.0
163.07532	5.3
164.07890	0.3
165.05426	0.5
166.02553	0.3
167.07005	100.0
168.07353	3.0
171.06482	2.9
173.05957	14.6
174.06326	0.5
175.07565	0.8
176.04607	0.8
181.04919	46.8
182.05281	2.0
182.15283	0.6
183.08006	0.3
187.07549	0.7
189.05525	0.5
190.06268	0.4
191.06992	16.9
192.07343	0.9
193.08514	0.5
195.06496	1.2
200.61876	0.3
201.05438	1.2
205.08563	3.4
207.06439	0.5
207.10170	0.8
209.08051	0.9
210.14919	0.7
217.08521	0.9
219.10124	1.0
221.07928	0.6
226.51942	0.3
233.08040	7.8
234.08475	0.4
235.09602	4.1
241.34714	0.4
245.07846	0.4
247.07440	0.4
263.09055	0.8
267.10059	0.4
286.08258	0.5
307.09561	0.5
325.10593	0.6
329.10123	1.0
339.12152	0.6
357.13354	0.5
367.11508	0.5
371.14334	0.7
381.13239	0.7
387.14270	11.5
388.14792	0.9
399.14151	1.1
417.15347	25.4
418.15662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
55.01852	2.5
55.05492	1.8
63.66234	0.6
64.01229	0.6
65.03934	5.8
67.05498	3.4
69.03418	2.1
69.07079	3.4
71.43410	0.7
72.75865	0.6
73.27435	0.7
77.03901	1.1
78.04707	3.8
79.05480	7.6
81.03397	1.2
81.07047	5.0
82.04166	2.3
83.04957	0.6
83.08619	0.9
85.02880	5.0
91.05452	5.1
93.03387	2.0
93.07030	2.4
95.04960	5.0
95.08595	4.0
96.08911	0.7
97.06531	3.4
103.05458	10.3
105.03360	1.1
105.04464	1.0
105.07011	4.4
106.04160	2.1
107.04939	11.7
107.08561	2.1
108.02105	0.9
109.06483	0.8
109.10107	1.3
110.03653	2.3
111.04453	1.1
111.08099	0.9
112.57325	0.6
115.02837	0.5
115.03878	0.9
115.05466	4.3
117.07010	5.8
118.04193	2.9
119.04961	0.9
119.08540	1.7
121.06556	1.4
121.10061	1.0
123.04427	7.4
123.11681	1.2
124.05189	4.4
125.06001	3.2
127.03899	1.0
127.05424	0.8
129.06975	1.0
130.04169	0.7
131.04938	8.7
131.08525	1.2
133.02794	2.0
133.06467	1.9
133.10083	1.4
134.03569	1.2
135.04387	0.9
135.08026	0.9
135.11687	0.8
137.05959	1.9
138.03139	0.7
142.02580	1.0
143.08571	1.1
144.05637	0.8
145.06467	9.6
145.10100	1.0
146.03630	0.8
146.05310	0.7
146.06760	0.7
147.08025	1.2
147.11676	1.0
148.05167	6.8
149.05927	0.8
149.13202	0.7
151.03860	1.5
152.04633	3.1
153.05412	3.6
155.04936	0.8
155.05977	3.8
159.08023	1.1
159.11714	1.1
161.05888	2.2
161.09500	0.6
161.13139	0.8
163.07504	8.4
167.07016	100.0
168.07378	3.2
171.06503	5.6
173.05957	13.4
175.07532	1.5
176.04602	1.1
179.06923	0.7
181.04933	78.7
182.05278	3.2
187.07567	1.4
187.14731	0.7
191.07002	28.3
192.07288	0.8
193.08620	1.0
195.06482	1.8
205.08578	2.8
207.06490	1.0
217.08617	1.2
219.10135	1.2
221.08121	1.3
223.13269	0.7
233.08028	8.8
235.09541	3.7
263.09161	1.2
307.09494	0.8
325.10574	1.2
357.13339	1.1
367.11578	1.1
381.13208	1.9
381.31476	1.0
385.12616	1.2
387.14273	7.5
388.14731	1.0
399.14325	2.2
399.32407	1.2
417.10318	1.2
417.15326	18.1
417.20914	9.6
417.29193	4.1
418.15704	1.8
418.21082	0.7
418.29922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.70805	0.2
55.01844	0.3
55.05474	0.3
56.00934	0.3
56.33967	0.3
57.23439	0.2
57.38287	0.3
65.03918	1.3
67.05479	1.0
69.03411	0.5
69.07056	0.4
78.04697	2.7
79.05463	1.0
81.03371	0.4
81.07035	0.9
82.04192	0.5
85.02905	0.7
91.05453	0.9
93.03406	0.5
93.07012	0.7
95.04933	1.4
95.08575	0.6
97.06521	0.6
103.05416	0.5
105.04527	0.3
106.04156	1.8
107.04954	1.1
110.03648	1.0
111.04463	0.4
115.05436	3.6
117.07013	5.5
119.08543	0.4
122.03638	0.5
123.04418	7.4
124.05213	2.9
125.05985	0.4
125.78046	0.3
127.05428	1.4
133.06474	0.4
134.03685	0.6
135.04385	0.4
137.05925	0.4
138.03053	0.5
144.05717	0.3
145.06476	8.1
147.08109	0.4
151.03929	1.5
152.04655	2.2
153.05460	0.8
155.06021	3.7
159.11626	0.3
161.05937	0.4
167.07014	100.0
168.07365	3.2
171.06490	1.0
173.05962	14.6
175.07516	0.5
179.06917	0.4
181.04922	18.3
182.05267	0.6
191.06885	0.3
193.08553	0.4
201.05466	0.8
205.08559	3.6
221.07935	0.3
233.08044	7.2
235.09602	3.1
293.35495	0.3
302.23157	0.3
387.14301	12.3
388.14822	0.7
416.32419	0.7
417.15390	23.8
417.33044	0.6
418.15601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03934	1.3
55.01866	1.5
55.05508	0.5
55.38164	0.5
57.03436	0.6
59.04996	0.6
60.60852	0.5
65.03932	5.3
65.63118	0.5
66.04723	0.6
67.05499	3.4
67.45695	0.5
69.03417	2.1
69.07062	1.9
70.03540	1.0
70.03873	0.6
77.03918	0.7
78.04694	3.5
79.05483	6.6
81.03400	0.9
81.07050	4.2
82.04179	1.7
82.07356	0.6
83.04963	0.6
85.02885	3.9
91.05461	4.0
93.03409	1.3
93.07017	2.6
95.04960	4.3
95.08598	2.5
96.08939	0.6
97.06518	2.0
103.05453	9.8
105.03380	1.2
105.04496	0.9
105.07001	3.7
106.04147	1.9
107.04943	9.8
107.08598	1.8
108.02063	1.9
109.02869	0.9
109.06477	0.9
109.10141	1.9
110.03677	2.7
110.10497	0.6
111.04408	1.0
115.05451	4.6
115.61058	0.5
117.07019	7.1
118.04144	3.7
119.04975	0.9
119.08559	1.5
121.06519	1.1
121.10141	1.3
122.03595	1.0
122.09651	0.6
123.04425	7.0
123.08075	0.7
124.05225	4.3
125.05969	2.8
127.05355	0.8
129.06993	1.4
130.04109	1.1
131.04900	7.2
131.08560	0.8
131.64571	0.5
132.05681	0.6
133.02797	1.0
133.06480	1.6
133.10130	1.4
134.03590	1.0
134.10454	0.7
135.04385	0.9
135.08072	0.9
135.11661	0.7
137.05942	1.8
137.09583	0.6
138.03081	1.8
142.02658	0.7
143.08549	0.7
145.06485	9.5
145.10129	1.0
147.04387	0.9
147.08009	1.7
147.11707	1.2
148.05171	5.8
151.03880	1.1
151.07492	0.7
152.04640	3.4
153.05411	3.6
155.06012	3.8
156.05673	0.7
157.10283	0.6
159.11678	0.8
161.05954	1.2
162.06749	0.5
163.07516	8.1
165.05403	0.6
167.07016	100.0
168.07367	2.7
171.06522	5.1
171.11646	0.6
173.05960	13.9
173.09599	0.7
173.13327	0.6
174.06281	0.8
174.09978	0.8
175.07530	1.3
176.04684	0.8
181.04930	76.3
182.05286	2.1
184.05128	0.5
185.04239	0.6
187.07547	2.0
191.07005	29.1
192.07315	1.6
193.08556	1.4
195.06508	2.4
199.14876	0.7
201.05409	1.3
205.08505	3.0
207.06496	1.0
209.08029	0.9
217.08583	1.5
219.10077	1.8
221.07977	0.8
225.16211	0.7
226.16641	0.6
233.08029	8.6
235.07538	0.8
235.09624	4.7
237.18445	0.6
241.10629	0.8
245.08078	0.7
249.85252	0.5
263.09149	1.7
267.10175	0.7
268.18146	0.5
269.18613	1.2
270.19189	0.8
286.18930	2.3
287.19547	2.7
288.19958	1.5
289.08789	0.9
337.10480	1.1
339.12180	0.9
357.13049	0.7
363.30170	0.6
367.11603	1.1
371.14975	0.9
380.30365	1.0
381.13281	2.1
381.31311	0.7
385.12680	1.6
387.09567	1.0
387.14307	11.7
388.14520	0.8
398.31232	5.6
399.14352	3.1
399.32016	3.6
416.32153	2.0
417.15234	23.4
417.20773	9.7
417.32928	2.3
418.15637	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	417.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01848	0.6
65.03948	2.9
67.05491	1.6
69.22353	2.5
78.04709	3.1
79.05496	3.1
81.03362	0.4
81.07050	0.8
82.04185	0.8
85.02890	1.8
90.04658	0.5
91.05472	2.4
93.03370	0.5
93.07026	0.6
95.04967	2.6
96.75285	0.4
97.06483	0.8
97.80556	0.4
103.05467	5.0
105.03366	0.7
105.04484	0.7
105.07019	1.3
106.04160	2.3
107.04936	5.6
110.03626	1.2
115.05439	3.9
117.06991	6.0
118.04119	1.6
119.04853	0.5
119.08605	0.4
121.10069	0.5
122.03580	1.0
123.04412	8.2
124.05211	2.5
125.05946	0.5
127.05406	1.2
130.04179	0.7
131.04906	4.1
133.06454	0.9
134.03613	0.9
135.04303	0.5
135.08022	0.5
137.05933	1.4
138.03055	1.0
143.04829	0.6
145.06473	9.1
146.06830	0.5
147.08011	0.7
148.05188	2.6
151.03896	1.6
152.04669	2.7
153.05437	1.9
155.06039	4.0
157.06447	0.5
161.05937	1.0
163.07510	3.8
165.05438	0.6
167.07018	100.0
168.07375	3.1
171.06525	3.3
173.05969	15.3
181.04929	42.6
182.05301	2.1
191.07001	13.2
191.08659	0.8
192.07446	0.6
193.08545	0.9
195.06479	0.9
201.05435	0.9
205.08609	4.0
207.06509	0.7
207.10199	0.6
209.08101	0.6
217.08624	1.0
233.08043	8.8
235.09584	4.0
241.08841	0.5
243.77855	0.5
263.09198	0.7
275.96268	0.5
291.94528	0.4
315.58301	0.4
325.10577	0.6
329.10205	1.1
339.12158	0.6
356.12024	0.5
357.13043	0.6
381.13501	0.6
386.13300	0.7
387.14301	13.3
388.14743	0.9
399.14368	1.5
417.15408	24.8
418.15649	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.27869	0.3
53.03939	0.4
53.41110	0.3
55.01870	0.6
57.03416	1.5
60.94210	0.3
65.03928	1.7
67.05487	0.9
69.03418	5.9
69.64454	1.3
70.06576	0.8
77.03936	0.3
78.04707	3.2
79.05491	1.6
81.03437	0.4
81.07025	0.7
82.04179	0.7
85.02892	5.7
87.04463	3.9
91.05464	2.3
93.07001	0.4
95.04943	1.3
96.05743	0.3
97.02879	4.1
97.06519	0.4
99.04430	0.3
103.05450	0.4
105.07006	0.6
106.04172	2.0
107.04932	1.4
107.08544	0.3
107.60037	0.3
109.02862	0.5
109.06499	0.3
110.03625	0.7
111.04427	0.4
115.03915	4.3
115.05416	3.5
117.07004	5.7
121.10139	0.5
122.03635	1.0
123.04417	7.0
124.05209	2.5
127.03891	0.8
127.05408	0.8
129.07062	0.5
131.04860	0.4
133.04955	6.2
133.06456	0.5
134.03624	0.9
135.04410	0.4
137.05988	1.6
144.05736	0.4
145.04959	0.7
145.06473	9.7
147.08051	0.5
151.03859	1.5
152.04668	2.3
153.05421	1.1
155.04820	0.3
155.06000	4.5
161.05927	0.6
163.05984	0.7
167.07016	100.0
168.07330	3.2
169.11780	0.4
171.06522	1.3
173.05963	14.0
175.07533	1.0
175.52214	0.4
181.04930	19.7
182.05258	0.5
183.98529	0.3
188.33401	0.4
201.05522	0.7
205.08571	3.4
221.08058	0.4
233.08061	8.8
235.07555	0.6
235.09654	4.0
323.09229	0.4
342.14819	0.6
373.93439	0.3
387.14325	12.4
388.14990	0.8
417.15384	26.7
417.27295	0.7
418.15833	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05500	10.1
55.76357	1.0
57.03428	7.7
57.07068	6.2
60.51551	1.1
65.03921	1.4
67.05498	52.1
69.07062	13.1
70.56377	2.3
70.56706	1.1
71.08620	2.4
75.40239	1.1
79.05480	16.1
81.03414	2.3
81.07049	71.9
82.07359	1.7
83.08615	8.9
85.06562	1.5
91.05471	12.6
92.96989	0.9
93.07038	19.7
95.04939	2.6
95.08598	58.5
96.08932	1.7
97.06535	6.1
97.10178	5.1
98.23088	1.4
98.98457	94.4
99.08087	2.2
99.68983	0.9
101.43195	1.0
104.87253	0.9
105.07035	10.0
107.08591	12.0
109.06579	1.2
109.10145	29.2
111.08040	5.6
111.11753	1.3
112.39833	1.0
113.09657	1.5
116.99438	2.5
119.08554	9.8
120.08897	2.6
121.10130	12.3
123.08007	1.3
123.11684	14.4
125.09660	1.5
133.10117	10.5
135.11679	8.0
137.09604	1.7
137.13239	8.4
147.11697	8.8
149.13248	8.8
151.14830	7.0
153.12750	1.2
155.01018	100.0
161.13280	5.9
163.14842	5.1
165.16367	3.5
175.14784	4.8
177.16397	2.5
179.17822	1.0
189.16370	3.2
192.40469	1.2
193.15863	1.2
245.22632	20.7
246.23141	1.3
263.23672	46.9
264.23962	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.4
65.03937	2.6
67.05486	7.9
69.03418	4.8
69.07057	10.0
69.29430	14.0
71.05003	2.4
78.04723	3.8
79.05482	7.3
81.03416	3.7
81.07043	11.1
85.02916	6.7
86.55503	2.6
91.05481	5.8
93.07043	6.3
94.07373	3.2
95.04953	4.4
95.08596	10.8
97.06541	3.3
99.08128	3.0
103.05470	7.3
105.04533	3.2
105.07011	6.0
107.04945	4.4
107.08579	6.9
109.02851	2.4
109.10142	7.0
110.03642	3.0
111.08101	2.4
114.43121	2.7
115.05431	4.3
117.06995	6.5
119.08596	4.7
121.10086	4.1
123.04417	6.6
123.11674	3.4
125.05936	2.7
125.09661	2.7
125.27255	2.3
125.42021	2.2
127.11117	2.8
131.04907	5.2
131.08562	5.2
133.10089	12.2
135.11635	2.8
143.08549	3.9
145.06456	8.9
145.10118	4.9
147.11627	3.0
148.05217	4.4
149.13223	3.4
152.04561	3.0
153.05411	3.6
155.05940	4.1
159.11667	4.6
161.05997	2.9
163.07506	8.3
167.07025	100.0
168.07375	3.5
173.05927	14.3
173.13132	3.1
181.04927	45.2
182.05197	3.1
182.51929	2.4
191.07014	22.3
219.17586	3.7
233.08054	9.2
235.09540	4.6
235.16951	2.8
253.19388	5.5
255.21178	2.9
267.06473	2.6
290.98206	2.4
313.16208	6.8
357.12656	2.6
373.17883	3.3
381.31396	5.1
387.14389	13.6
399.32391	6.6
417.15515	34.6
417.20840	38.6
417.33429	14.1
418.21472	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	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
55.05499	3.6
65.03931	3.1
66.86448	1.2
67.05491	5.9
69.03431	6.3
69.07071	6.7
70.68188	1.6
71.04985	4.3
78.04707	2.6
79.05489	8.3
81.03417	1.7
81.07047	14.0
82.04183	2.3
85.02895	3.7
85.06542	2.3
90.03790	1.4
91.05464	5.8
93.07034	6.9
95.04970	2.8
95.08584	8.9
97.06564	3.0
99.08046	3.2
103.05467	4.9
105.07022	10.9
107.04976	4.8
107.08587	4.6
109.02896	2.1
109.10157	6.9
110.03696	1.4
115.05438	4.3
117.07025	7.2
119.08572	5.6
121.10129	5.1
123.04419	8.5
123.11723	3.2
124.05245	2.9
125.09618	4.3
127.11196	1.8
129.06989	2.2
131.04866	2.5
131.08591	2.4
133.10112	14.3
135.08028	1.5
135.11656	2.2
137.05956	3.4
143.10652	2.5
144.30698	1.6
145.06465	8.2
145.10129	5.3
146.18042	1.4
147.08034	1.6
147.11700	4.5
148.05229	1.8
149.13214	3.3
151.03903	2.2
151.11266	1.8
152.04698	2.7
153.05508	2.4
155.06026	3.4
157.10130	2.5
159.11655	3.7
161.13252	1.9
163.07483	3.5
167.07030	100.0
167.14339	4.9
168.07388	2.2
173.06041	12.0
175.07535	2.1
181.04950	39.2
191.06998	13.0
192.07542	1.3
196.10593	1.4
201.16379	1.9
202.05771	1.6
205.08612	3.9
207.10231	1.4
209.50378	1.5
219.17429	3.8
233.08160	8.6
235.09645	3.4
253.19615	1.7
267.06473	4.7
279.06671	2.0
294.09579	1.7
313.16055	3.2
329.10773	1.4
373.18250	3.1
381.31323	2.7
387.14331	11.9
399.32410	2.4
417.15506	21.1
417.20868	28.2
417.33340	5.2
418.15939	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52118	2.3
51.99165	2.8
55.05500	2.7
57.02676	2.3
65.03931	2.8
67.05507	5.5
69.14270	10.8
69.14677	3.9
78.04671	2.8
78.24591	2.3
79.05482	6.1
81.03380	3.6
81.07044	10.6
83.08601	2.3
84.08171	2.2
85.02886	5.0
91.05478	7.1
93.07042	3.7
95.04964	2.8
95.08604	4.1
98.23515	4.5
103.05444	4.4
105.07007	8.0
106.24949	2.5
107.04945	7.7
107.08592	3.3
115.05453	3.4
117.07005	7.4
119.08591	4.3
121.06446	2.9
123.04442	5.6
124.05225	3.9
131.04971	3.2
133.10126	5.8
135.11589	2.8
145.06464	9.8
145.10077	4.3
148.05141	5.5
151.03879	2.4
152.04752	2.8
155.06046	4.6
163.07526	9.0
167.07027	100.0
168.07326	2.4
173.05943	14.6
181.04944	50.7
182.05269	3.7
191.07024	22.9
191.59386	2.4
233.08052	9.4
235.09636	3.1
275.52625	2.9
320.61987	2.7
387.14337	10.0
399.14514	3.1
399.31897	3.5
417.15234	25.4
417.20886	10.8
417.33212	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	417.3363
Annotation	CHEMBL3623497
Peak:m/z	Relative Intensity
52.27882	1.2
53.07316	1.5
55.05504	6.9
65.03930	4.8
67.05158	1.7
67.05501	26.0
69.03410	2.6
69.06760	1.5
69.07066	16.5
70.07404	1.8
70.50160	2.9
71.04979	3.6
77.05532	1.2
78.04681	3.3
79.05486	13.5
81.03418	2.5
81.07049	37.8
82.04182	1.5
82.07386	2.1
83.04983	1.6
83.08598	3.9
85.02901	3.6
86.24643	1.2
91.05474	9.9
93.07044	16.8
95.04945	5.3
95.08595	23.0
97.06496	2.3
97.10139	1.5
99.04464	1.6
99.08092	14.6
103.05466	5.5
105.07025	23.7
106.04182	2.7
106.07327	1.7
107.04942	5.3
107.08584	20.7
109.02872	2.5
109.06498	2.7
109.10149	100.0
110.10514	3.5
111.08058	2.2
111.11671	1.4
115.05459	3.9
117.07025	10.4
118.04179	1.5
119.08565	11.3
121.06493	3.9
121.10128	12.6
123.04408	9.3
123.08057	5.1
123.11694	3.8
125.05954	2.1
127.11185	24.3
128.06203	1.7
129.06949	2.9
131.04932	5.1
131.08580	10.4
133.06476	1.8
133.10112	19.9
134.10487	7.7
135.08054	2.0
135.11664	7.0
137.05959	1.5
137.13255	1.8
141.06940	1.7
142.07793	2.2
143.08551	6.2
145.06473	8.6
145.10101	10.4
147.08046	3.4
147.11650	10.1
148.05174	3.1
149.13217	5.4
151.07426	1.9
151.11128	1.4
152.04724	2.0
153.05501	1.5
153.75142	1.3
155.06026	2.7
155.08565	3.2
157.10123	10.6
158.10561	1.3
159.08028	1.7
159.11681	12.5
161.09641	2.3
161.13210	5.5
163.07462	3.8
167.07024	92.2
168.07341	3.5
169.10143	3.9
171.06522	2.8
171.11673	5.5
173.05986	12.5
173.13239	3.7
175.11163	7.1
177.12769	1.8
177.16428	1.9
181.04945	38.2
181.10085	2.5
182.05278	2.5
183.11681	3.2
185.13223	5.9
187.14793	4.4
189.05513	1.4
189.16397	1.7
191.07039	14.4
195.11673	1.6
197.13213	3.8
199.14804	6.0
201.16365	3.8
203.17824	1.6
205.08490	3.3
209.13153	1.9
211.14790	1.7
213.16350	5.3
215.14206	1.4
217.15808	2.0
219.17589	1.5
225.16347	3.0
227.17934	4.0
231.17393	2.0
233.08096	9.0
235.09615	5.4
240.18236	1.4
243.17535	1.6
245.19055	2.8
251.17915	2.4
253.19568	1.9
255.21089	3.3
257.18930	1.7
267.20993	1.9
269.18921	3.3
271.20624	3.0
283.23944	1.5
297.25568	1.5
299.23431	2.2
307.24121	10.3
325.25195	7.2
363.30334	7.5
381.31491	16.2
382.31891	2.3
387.14328	9.2
388.14621	1.6
399.32541	48.8
400.32813	3.7
417.15335	15.9
417.33676	16.6
418.15710	2.4
418.34073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01863	1.1
55.19530	0.7
57.03415	1.6
57.74315	0.9
61.02934	1.1
69.03426	3.5
70.06585	2.2
71.42764	1.0
73.02924	1.4
81.03415	2.5
85.02899	13.2
85.06544	1.2
87.00793	2.3
87.04508	1.4
89.06020	81.2
95.04953	0.9
97.02891	6.5
99.04480	1.5
99.45569	0.9
105.01870	3.1
107.04974	2.1
107.07059	2.7
108.08112	0.9
109.02882	2.9
111.04457	2.0
112.07570	2.0
127.03887	5.9
133.08586	44.2
134.08926	0.9
135.04401	8.2
138.05531	0.9
139.03905	3.5
145.04956	2.2
151.09634	2.3
153.01840	2.0
153.05487	1.3
163.03911	2.7
171.06544	2.5
177.11186	8.1
181.05013	1.5
195.06514	1.7
195.12315	2.8
208.99585	1.0
237.07533	1.5
239.14854	100.0
240.15218	4.1
301.09036	1.3
345.11328	1.7
418.13110	9.8
419.09802	0.9
419.15311	16.4
441.36624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84005	7.2
59.14547	7.2
59.20529	9.2
70.05047	19.0
70.05414	15.8
83.08587	14.3
86.19540	8.7
105.07017	13.2
119.08589	11.5
131.08598	11.5
161.13235	14.7
171.11697	22.3
189.12790	46.2
199.11143	12.4
217.12216	100.0
249.14758	31.5
277.14310	62.6
281.17371	21.0
309.16763	27.8
341.19501	43.9
369.19165	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	418.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52054	3.6
67.05466	3.9
69.73577	12.3
95.08589	4.1
103.13860	3.4
103.92251	3.9
105.07005	4.5
107.08597	5.0
119.08553	17.4
131.08568	10.6
133.06448	4.3
133.10143	11.7
143.17166	3.5
147.11696	4.5
156.09282	4.0
159.08014	4.3
161.09528	4.3
161.13231	36.5
171.11700	19.4
173.13194	4.2
175.07523	8.3
175.11086	5.2
189.12750	63.5
190.13194	3.6
193.12233	3.7
199.11156	13.7
217.12202	61.5
221.15338	13.3
231.13794	10.6
245.11740	7.2
249.14804	56.9
249.17261	4.7
270.66809	3.8
277.14328	100.0
281.17453	5.9
305.13855	15.3
309.16928	21.7
337.16296	28.6
369.18988	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.20317	0.3
79.05441	0.4
81.06998	0.4
95.52393	0.2
127.55711	0.2
131.04897	0.3
141.75560	0.2
146.03548	0.3
159.04317	0.4
160.05135	0.3
170.03569	0.4
171.04269	0.3
174.03006	0.3
186.03003	0.3
187.03815	0.3
188.04585	1.0
198.03104	0.3
199.03896	0.4
200.04652	0.4
201.01727	0.4
202.02481	0.5
203.03342	0.7
204.04283	0.4
214.02550	0.6
215.03258	1.0
216.04144	1.7
217.01302	0.3
219.02809	0.7
226.02676	1.3
227.03281	0.5
228.03922	0.3
229.01224	0.4
230.02072	0.4
231.02780	0.7
233.04337	0.3
234.05208	0.4
240.00462	0.5
242.02005	0.8
243.02759	1.1
244.03671	3.2
245.04269	0.7
247.02266	1.1
248.02803	0.3
254.01982	1.7
255.02771	0.8
256.03510	0.6
257.00705	2.2
257.03146	0.3
257.04410	0.3
258.01440	0.7
258.05118	0.3
259.02399	0.5
259.05798	0.5
260.03104	0.5
261.04010	0.4
262.04684	0.6
267.99979	0.3
268.03775	0.3
269.00775	0.3
269.04337	0.5
270.01666	1.2
271.02380	1.7
272.03061	3.0
273.00272	0.5
273.03812	0.7
274.04752	0.4
275.01859	1.7
282.01654	2.1
283.02371	1.3
284.03003	0.5
285.00327	4.2
285.03577	0.5
286.00964	0.7
286.04706	0.2
287.01807	0.8
287.05441	0.7
288.02536	0.5
289.03384	0.3
290.04199	0.4
297.03772	0.6
298.01001	1.4
299.01776	1.7
299.05191	0.5
300.02612	4.8
300.05933	0.3
300.99722	0.8
301.03265	1.2
302.00580	0.6
302.03870	0.4
303.01300	4.8
303.04782	0.2
304.01727	0.3
304.05573	0.3
305.06500	0.9
310.01080	2.3
311.01587	0.7
312.02625	0.6
312.99701	2.8
313.03378	1.1
314.00455	0.5
314.04083	0.6
315.01199	1.1
315.04935	1.7
316.02078	0.7
316.05597	0.3
317.02689	1.2
318.03613	1.8
321.02475	0.5
325.03412	0.9
326.00421	0.5
326.03949	0.4
327.01340	1.7
328.02084	10.2
328.99097	0.9
329.02811	4.7
329.99979	0.5
330.03610	0.8
331.00861	8.7
331.04517	1.1
333.06140	0.4
340.99191	1.2
341.02869	0.6
342.03629	2.5
343.00922	0.6
343.04437	10.6
344.01483	0.5
344.05103	1.4
345.02377	2.6
345.06046	0.3
346.03119	10.1
347.03604	0.6
353.02817	0.4
356.01523	4.5
356.98422	0.4
357.02133	0.8
357.05991	1.9
359.00195	8.5
359.03961	1.0
360.00723	0.6
360.04721	3.5
361.02121	0.5
361.05490	11.6
362.05820	0.5
371.03918	5.7
372.04483	0.8
373.01807	1.3
373.05774	0.4
374.02600	6.1
375.07056	16.8
376.07596	1.2
386.06366	1.2
387.03461	2.2
389.04965	64.9
390.05328	4.0
403.06631	0.6
404.07327	42.3
405.07697	2.6
419.09662	100.0
420.10043	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	419.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.9
55.01868	13.5
57.03418	5.7
61.02914	12.1
65.03931	6.0
68.99786	12.2
69.03423	34.8
71.01353	2.0
71.04979	7.2
71.41989	2.1
73.02918	14.9
74.63303	1.5
74.73367	1.9
77.33783	1.7
79.05470	3.3
81.03410	40.5
81.03891	2.4
81.36987	1.6
81.78435	1.9
83.01331	2.6
83.04984	4.1
85.02895	100.0
87.00818	46.2
91.03946	2.5
93.03423	2.9
97.02880	40.3
99.04447	19.8
103.03912	5.9
105.01849	26.7
105.04459	2.5
107.04936	31.4
109.02868	40.6
111.04423	24.9
117.01829	4.4
121.04098	1.9
121.06512	3.4
123.04394	1.7
125.06007	6.4
127.03898	62.8
129.01822	11.1
135.04419	9.9
137.06010	2.2
139.03876	51.1
140.04190	2.0
145.03949	3.1
145.04951	24.8
147.02882	7.8
147.04376	3.1
149.02272	2.9
153.01816	3.9
153.05449	1.8
155.04787	1.9
159.02870	25.4
161.19814	1.9
162.14917	2.2
163.03917	34.5
167.07112	1.9
171.02917	2.2
171.06503	56.1
177.05502	5.9
180.04184	2.3
181.04916	16.9
183.06580	4.3
189.03903	7.7
195.06490	38.6
201.05490	2.8
205.04939	7.3
207.06534	7.5
209.08073	3.1
213.04041	1.8
213.07552	23.3
221.08054	2.9
222.05203	4.3
231.04993	6.5
233.08025	5.6
237.07588	22.1
261.07535	19.0
279.08646	25.7
279.11548	3.1
355.74762	1.8
401.75357	2.6
419.11307	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03939	1.1
55.01868	39.6
55.05516	1.1
55.78258	1.2
57.96286	1.0
60.92841	1.2
64.78447	1.0
65.03940	10.3
67.05512	3.1
69.03443	1.9
69.25767	6.7
70.22373	1.0
77.03922	1.8
78.04704	1.5
79.05475	8.1
81.03424	1.8
81.07048	1.5
81.25815	1.0
81.61422	1.1
82.04197	4.0
85.02908	4.9
86.97397	1.1
90.04693	1.7
91.05474	8.3
93.03425	2.8
93.07053	2.9
95.04954	7.6
95.08590	2.3
97.06536	2.8
103.05461	25.2
105.03403	2.5
105.04500	1.4
105.07024	14.0
106.04181	2.0
107.04946	7.4
108.02089	1.4
109.06499	1.5
110.03654	3.8
111.04463	1.7
115.05433	5.7
116.06213	1.5
117.06994	2.8
118.04182	8.4
119.08548	1.2
120.05708	1.5
121.06519	4.7
123.00876	1.5
123.04411	5.5
124.05188	2.8
125.06002	4.3
127.03922	1.5
129.07019	2.2
130.04121	1.9
131.04918	22.0
131.08531	3.0
132.05745	2.2
133.02826	2.4
133.06477	12.1
135.04395	2.1
136.36130	1.2
137.05956	1.9
138.03090	3.0
140.04665	2.0
141.06970	2.2
142.02629	1.7
143.05917	1.3
144.05646	3.4
145.06487	3.1
145.10277	1.2
147.04396	2.9
148.05176	15.4
149.05972	13.8
153.05452	8.0
155.07098	1.9
159.04430	2.1
159.08057	4.9
160.05299	1.2
161.06035	11.0
163.07521	21.6
164.07872	1.4
167.07022	47.4
168.07361	1.9
169.06375	1.5
171.06519	6.5
173.06009	3.7
175.07510	1.7
176.04648	2.7
177.05449	32.2
181.04939	88.7
181.08473	2.9
182.05280	3.0
183.06519	4.0
187.07565	5.1
191.07013	100.0
192.07431	4.1
193.08643	9.4
205.08574	9.1
209.08064	62.1
210.08522	2.3
217.08655	1.4
219.08189	1.4
219.10172	4.7
221.08095	2.0
221.86163	1.3
235.09610	2.0
247.09692	5.3
249.11218	3.7
265.10748	4.7
323.12817	1.8
351.12253	1.5
369.13257	2.3
389.15738	1.8
401.15701	6.1
419.16354	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	419.1884
Annotation	Asp Glu Arg
Peak:m/z	Relative Intensity
53.03937	0.5
67.33412	0.4
69.03436	0.8
71.34444	0.6
75.30772	0.4
79.05456	0.4
81.03433	1.0
81.04602	0.4
85.02902	1.1
88.49106	0.4
98.90091	0.4
98.97588	1.3
106.02932	1.8
109.02902	0.6
111.22221	0.4
116.98652	0.7
124.03941	4.5
124.04792	0.5
127.02152	0.4
127.03904	0.7
137.05965	0.5
149.02386	0.6
153.01855	1.0
161.06046	0.5
219.01794	0.5
237.02821	0.5
239.13911	1.3
250.07170	0.7
257.15198	0.4
268.08151	2.5
274.97876	0.7
278.96786	0.6
296.97906	0.6
334.27396	0.5
419.18930	100.0
420.12503	2.7
420.19284	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	419.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94957	1.2
55.01852	2.1
56.20266	1.3
57.03414	5.3
61.07566	1.2
64.54883	1.4
69.03395	2.0
70.06586	5.9
71.06911	1.6
75.04458	2.1
77.98935	1.3
79.05472	2.8
81.03397	3.4
85.02888	3.4
91.05482	6.4
94.04165	1.2
97.02879	1.3
99.53313	1.1
105.07028	20.2
107.04911	3.3
112.07598	7.2
113.07926	2.4
122.03629	3.9
127.03877	2.2
130.04991	3.0
133.06477	38.6
135.08098	1.3
137.05957	84.7
138.06323	1.7
140.07018	4.5
141.07471	2.0
153.01810	11.7
161.62202	1.2
163.06078	1.4
163.07529	3.7
165.09093	25.6
171.02882	1.8
175.07520	2.5
183.10143	16.8
192.13797	2.5
212.12764	1.2
220.40736	1.4
221.11760	3.6
239.12743	3.3
257.13757	18.7
258.13434	1.5
304.15298	2.6
321.17981	3.5
383.17093	1.5
419.15057	100.0
420.15469	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	419.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.3
57.03421	3.6
58.52577	1.3
59.09743	1.5
63.01126	1.4
64.21225	1.4
69.03421	4.3
75.04445	2.4
79.01849	2.4
79.05499	3.8
81.03412	7.9
85.02908	3.6
85.78760	1.5
89.22465	1.7
94.04212	1.7
97.02883	7.1
100.44328	1.3
103.05460	3.5
105.07009	26.2
107.04961	1.7
107.19454	1.5
109.02870	5.0
112.07574	1.6
118.26815	1.5
122.03654	3.6
123.50745	1.6
125.02341	4.5
127.03912	5.5
128.06133	1.4
133.06474	55.0
134.06786	2.9
137.05962	100.0
138.06221	2.8
138.92389	1.5
143.03400	5.1
150.06868	1.6
153.01810	89.8
153.02850	4.0
163.07497	7.4
165.09111	32.1
171.02876	9.0
175.07547	3.9
181.08633	2.6
183.10143	22.7
209.11847	1.5
221.11708	2.4
239.12825	3.0
257.13834	21.0
297.06079	8.3
315.07120	8.7
417.13281	1.5
419.14575	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38831	1.0
56.96558	1.8
69.03426	1.2
69.51156	5.2
85.02890	1.3
90.70982	1.0
98.96999	1.1
98.97578	5.0
109.97491	1.1
110.97576	1.3
116.98648	2.7
136.94002	1.4
153.01834	3.7
154.94205	2.2
156.51308	1.2
157.82083	1.0
158.99631	1.3
219.01814	3.9
226.95433	1.3
230.94974	1.4
237.02791	4.0
240.94197	5.2
270.95419	1.2
276.83475	1.0
303.07523	2.1
321.08545	3.2
369.65939	1.1
420.12524	100.0
421.05145	1.9
421.13385	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	420.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
57.03435	0.9
58.52074	0.7
59.05005	1.2
69.03426	4.4
70.00070	0.7
70.06590	1.8
79.01856	2.9
81.03400	8.6
81.07034	1.0
83.80389	0.8
85.02869	4.4
91.05474	1.1
97.02895	6.4
99.04420	1.4
107.01299	1.7
109.02846	7.0
112.07568	1.1
122.03607	1.1
125.02296	4.0
126.09158	1.0
127.03905	9.4
129.05486	1.7
135.38553	0.9
137.05933	15.6
138.05498	2.0
142.08604	1.3
143.03389	4.2
144.06514	0.9
145.05009	1.6
153.01807	100.0
153.02847	4.9
154.02164	2.9
154.08623	2.1
171.02859	13.4
177.94005	0.9
212.12856	3.1
258.13364	5.1
297.06049	12.5
297.09195	1.4
315.07043	10.4
347.83850	1.0
357.74496	0.9
420.09238	1.8
420.15555	3.0
421.16782	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	420.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.35076	0.3
55.01848	0.4
57.03433	1.1
66.92589	0.4
69.03426	2.7
69.60007	1.5
70.06593	0.6
73.15745	0.4
79.01842	2.8
81.03409	8.5
85.02909	2.7
86.09676	0.5
97.02887	7.5
98.22762	0.6
98.23393	0.7
99.04457	1.1
105.07018	0.9
106.07365	0.7
107.01317	1.5
109.02872	4.5
125.02335	4.1
127.03899	7.5
131.04871	0.4
133.06471	1.3
134.06822	1.4
137.05986	4.6
138.06270	2.7
143.03397	4.3
144.99181	0.3
145.04915	2.2
147.04427	0.4
152.53368	0.4
153.01811	100.0
153.02859	4.3
154.02147	1.9
163.07524	1.8
165.09053	0.8
166.09459	1.0
171.02861	12.2
171.04329	0.7
183.10161	0.7
184.10422	0.5
205.08548	1.0
223.09579	1.0
228.85283	0.5
230.86906	0.4
258.14148	0.6
297.06006	11.1
298.06427	0.7
315.07047	10.1
315.10455	0.7
385.01730	0.4
420.18869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01871	9.9
57.03413	8.9
61.02920	6.2
67.05514	1.4
68.99792	5.0
69.03422	35.6
70.06594	7.2
71.04984	4.4
73.02911	9.8
73.78040	1.3
79.05509	1.9
81.03406	31.3
81.07029	1.9
85.02896	100.0
86.03254	1.5
87.00818	38.0
91.03923	2.6
91.05461	9.0
95.05002	1.4
97.02882	37.6
97.06515	1.8
99.04435	14.1
103.03935	2.3
103.07651	1.5
105.01852	35.6
105.03387	3.1
105.07022	3.5
107.04964	2.6
109.02866	32.1
111.04391	1.8
112.07629	5.7
117.01878	4.0
119.04941	6.1
119.66092	1.3
120.08030	1.5
123.04417	4.4
124.07565	5.2
127.03904	55.6
129.01848	3.9
129.06963	2.1
133.06485	3.8
137.05959	47.8
138.05472	2.1
140.07074	2.9
142.08617	3.1
145.04945	31.6
145.06160	2.2
145.06544	1.6
147.02895	3.4
147.04370	3.1
149.05981	2.5
151.07530	12.2
153.01823	18.7
154.08607	2.4
157.06483	3.6
159.02873	15.3
161.06003	10.1
163.03886	2.0
165.05449	7.5
171.02873	2.8
172.90027	1.4
175.07547	7.1
177.05482	3.7
179.07021	26.7
181.06500	1.7
185.91435	1.4
189.03941	7.6
189.05443	2.1
199.07555	4.5
203.07043	12.7
203.65947	1.6
213.03900	3.2
217.08574	2.6
221.08078	15.6
227.06982	2.8
231.04984	10.8
232.17012	1.4
241.07106	1.7
245.08090	24.0
250.10608	1.8
258.08041	4.3
258.13242	1.8
263.09109	25.3
297.06158	2.9
315.06937	1.5
331.08041	1.5
349.09143	6.5
367.10321	5.6
393.60245	1.4
402.15012	1.6
420.14218	2.0
420.19135	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	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	19.8
58.14782	2.5
59.05001	3.3
69.03064	4.5
69.03426	73.7
70.76881	3.1
71.02574	2.7
83.31711	2.5
85.02897	63.5
87.04463	44.1
91.05476	100.0
97.02887	71.2
105.07053	3.2
107.04951	7.8
111.04465	3.2
115.03922	91.7
117.05521	3.2
127.03893	8.7
133.04964	98.6
133.06485	5.3
145.04967	10.0
150.07619	14.8
159.08089	3.2
186.62621	3.0
216.00858	2.9
217.08746	4.0
223.09639	10.0
235.09566	3.2
253.10689	3.5
259.08200	5.7
420.15472	4.2
435.59552	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	420.2013
Annotation	roquefortine F
Peak:m/z	Relative Intensity
53.03927	0.4
55.01871	0.4
67.05495	1.1
67.12922	0.3
69.03419	4.4
69.07049	0.4
69.37959	0.8
69.38354	0.7
69.92152	0.3
70.06590	0.7
71.04979	0.9
77.03915	0.4
79.05473	0.8
80.05003	0.4
81.03400	0.7
81.07035	1.4
82.06599	0.4
83.44557	0.3
85.02887	0.6
85.06525	0.8
86.06062	0.3
91.05468	1.8
93.07044	1.2
94.06527	0.4
95.04961	0.8
95.08592	0.3
96.08113	0.9
97.02893	0.7
97.06538	0.5
98.06062	0.4
98.09676	0.5
99.04433	0.3
101.69383	0.3
105.07024	1.0
106.06530	0.4
107.04982	0.3
107.08572	0.3
108.08095	0.7
109.02851	0.5
109.06562	0.5
110.09672	0.5
111.08117	0.4
112.07606	0.6
117.07013	0.7
119.08559	1.1
120.08089	0.7
121.06454	0.8
122.09696	0.7
123.04436	0.5
124.07581	0.6
125.09656	0.3
126.09145	0.9
127.03906	0.7
129.06990	0.5
131.08556	0.4
132.08017	0.3
134.09637	0.9
135.04405	0.5
135.08061	0.4
135.99658	0.3
136.11212	1.0
137.05954	1.7
139.03860	0.6
141.89810	0.3
142.07751	0.7
143.03391	0.4
143.08568	0.4
145.06436	0.7
147.08008	0.3
149.05946	0.4
150.09088	0.3
151.03828	0.4
152.10672	0.9
153.01808	3.9
153.02927	0.6
153.05435	0.5
154.08711	0.6
154.12254	6.3
154.13486	0.4
157.10120	0.7
159.08073	0.4
163.07494	0.3
164.10754	0.6
165.05487	0.7
166.86241	0.3
167.08485	0.5
168.10204	0.4
171.02925	0.3
171.08072	0.4
173.05936	0.4
174.12733	0.3
175.07585	0.4
177.05438	0.4
177.09094	0.7
185.09608	0.7
187.07568	0.4
187.28531	0.3
189.05527	0.3
189.09151	0.3
192.13805	1.7
193.05049	0.6
201.12737	0.3
202.12288	0.3
213.09007	0.4
219.06523	0.7
220.13324	1.2
221.13986	0.3
222.14876	0.3
247.09576	0.8
250.17867	0.3
258.13394	0.6
273.11069	0.5
291.12265	3.0
308.14874	0.6
315.07056	0.7
402.19144	1.2
420.20108	100.0
421.20508	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	420.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95986	0.4
52.79713	0.5
55.01866	1.2
55.05501	0.9
60.04535	0.7
67.05495	2.5
69.03414	1.6
69.26925	0.9
69.27316	1.2
71.04981	1.6
74.89864	0.4
79.05466	2.1
80.05003	1.2
81.03388	0.6
81.07056	0.8
83.01340	1.0
84.04502	0.4
85.02885	0.6
85.06546	0.6
91.05457	2.6
93.07005	2.4
94.06554	0.5
95.04967	1.6
95.08607	0.4
97.06528	0.5
98.83472	0.5
99.04452	1.6
104.07043	1.1
105.07036	1.6
106.06582	2.2
107.04955	1.8
107.08632	0.4
108.08146	0.7
109.06508	0.8
109.10152	0.4
111.08092	0.7
115.05443	0.6
118.06558	0.7
119.08545	0.6
121.06515	0.8
122.05984	0.5
122.09646	0.5
123.08073	0.6
126.09153	0.5
127.03927	1.9
128.06174	0.6
129.07037	1.1
131.08553	1.2
133.06467	0.9
134.09641	1.3
135.08083	0.6
137.05984	1.9
137.09491	0.5
145.06538	0.6
145.10132	0.5
147.08060	0.6
151.03922	0.5
151.07530	0.4
152.10689	1.3
153.05476	1.0
155.03384	1.5
155.07045	1.3
155.08575	1.0
159.07915	0.8
165.05487	1.6
167.07034	1.2
167.08485	0.6
170.11823	1.2
172.11156	0.9
173.05986	0.5
173.09549	0.8
175.07509	0.9
177.09070	0.9
179.07034	1.0
183.06511	1.5
191.07063	0.8
205.08655	0.6
207.06503	1.2
218.11803	0.8
220.13367	0.5
223.09750	0.6
236.12816	1.2
243.08569	0.5
247.09537	0.5
251.50278	0.4
261.11234	1.9
263.09109	0.9
271.09671	0.8
273.11169	2.0
420.20114	100.0
421.20490	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	420.2014
Annotation	roquefortine F
Peak:m/z	Relative Intensity
51.95986	0.4
52.79713	0.5
55.01866	1.2
55.05501	0.9
60.04535	0.7
67.05495	2.5
69.03414	1.6
69.26925	0.9
69.27316	1.2
71.04981	1.6
74.89864	0.4
79.05466	2.1
80.05003	1.2
81.03388	0.6
81.07056	0.8
83.01340	1.0
84.04502	0.4
85.02885	0.6
85.06546	0.6
91.05457	2.6
93.07005	2.4
94.06554	0.5
95.04967	1.6
95.08607	0.4
97.06528	0.5
98.83472	0.5
99.04452	1.6
104.07043	1.1
105.07036	1.6
106.06582	2.2
107.04955	1.8
107.08632	0.4
108.08146	0.7
109.06508	0.8
109.10152	0.4
111.08092	0.7
115.05443	0.6
118.06558	0.7
119.08545	0.6
121.06515	0.8
122.05984	0.5
122.09646	0.5
123.08073	0.6
126.09153	0.5
127.03927	1.9
128.06174	0.6
129.07037	1.1
131.08553	1.2
133.06467	0.9
134.09641	1.3
135.08083	0.6
137.05984	1.9
137.09491	0.5
145.06538	0.6
145.10132	0.5
147.08060	0.6
151.03922	0.5
151.07530	0.4
152.10689	1.3
153.05476	1.0
155.03384	1.5
155.07045	1.3
155.08575	1.0
159.07915	0.8
165.05487	1.6
167.07034	1.2
167.08485	0.6
170.11823	1.2
172.11156	0.9
173.05986	0.5
173.09549	0.8
175.07509	0.9
177.09070	0.9
179.07034	1.0
183.06511	1.5
191.07063	0.8
205.08655	0.6
207.06503	1.2
218.11803	0.8
220.13367	0.5
223.09750	0.6
236.12816	1.2
243.08569	0.5
247.09537	0.5
251.50278	0.4
261.11234	1.9
263.09109	0.9
271.09671	0.8
273.11169	2.0
420.20114	100.0
421.20490	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	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97983	2.1
52.00043	1.7
62.76741	1.6
67.05514	2.7
68.13908	1.7
69.03419	4.4
69.07054	2.3
69.27544	9.3
69.27966	3.0
70.06562	2.2
76.31731	1.8
79.05491	3.9
81.03406	2.8
81.07053	3.2
85.02912	9.6
87.04465	2.4
91.05468	6.9
91.12495	1.9
93.07037	7.5
95.04974	2.7
95.08618	6.9
96.95883	1.7
97.02885	6.6
97.06521	32.1
98.23460	3.0
104.96119	1.9
105.06990	4.3
106.06562	3.7
107.08587	13.2
108.08100	5.4
109.10161	8.2
110.06060	2.1
119.08572	16.2
119.16699	2.1
121.06498	3.4
123.08065	3.9
124.07592	10.6
127.03905	2.5
131.04939	2.6
132.08072	2.2
133.05006	2.4
133.06625	2.1
133.07596	37.8
133.08549	3.2
133.10152	6.6
134.06024	4.3
137.06004	5.8
137.09613	15.8
139.07527	20.4
139.42415	1.9
145.04904	2.3
147.08182	2.4
147.09113	9.0
148.07584	7.0
149.07083	4.0
151.11180	29.2
151.12314	3.7
153.01848	2.2
153.05489	4.3
161.09602	6.3
166.08586	3.3
167.07025	2.3
175.07224	3.0
175.08667	46.9
175.10985	2.6
176.08943	2.4
177.05457	2.5
178.07222	2.2
179.10654	100.0
180.11093	3.7
184.09659	7.2
192.07835	5.4
193.09724	41.8
197.11707	38.9
219.07616	22.8
237.08673	88.3
241.14320	11.6
255.09755	7.4
329.68713	2.5
350.41962	2.1
358.17508	4.7
376.18460	6.9
420.17737	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
57.07074	2.1
58.55128	0.9
62.50188	1.0
67.05490	4.0
69.03423	2.7
69.07053	3.2
69.10016	7.3
72.51126	1.1
79.05473	6.9
81.03406	1.8
81.07050	100.0
81.84779	1.0
82.07382	2.4
85.02899	6.6
87.00816	2.8
95.08598	19.0
97.02888	4.5
104.99259	1.3
105.01864	6.3
113.43563	1.1
127.03911	6.2
137.05980	1.1
137.13240	23.2
145.04941	6.9
155.44200	1.2
159.02927	1.6
231.04944	2.9
267.61441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61911	0.7
53.03948	2.0
55.05506	0.9
57.03437	0.8
57.07071	1.4
67.05496	5.7
69.03418	3.6
69.07073	3.8
73.02922	1.3
79.05485	8.4
81.03410	2.4
81.07052	100.0
82.07374	1.8
85.02911	7.4
86.49915	0.8
87.00825	3.2
93.07048	1.1
95.08601	19.3
97.02887	5.4
99.04424	1.4
104.99279	1.5
105.01857	5.5
109.02870	2.6
109.10135	1.4
112.56774	0.7
116.46934	0.7
123.11692	0.8
127.03898	7.0
137.06013	1.4
137.13248	20.0
138.13612	0.9
145.04924	6.7
149.02321	1.4
159.02904	1.2
231.05052	3.1
249.06108	1.3
262.98044	0.8
287.85962	0.8
313.24710	0.7
338.96771	2.4
342.77466	0.8
405.09744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.4
55.01881	6.1
55.05511	6.4
56.55596	3.6
57.03454	3.2
67.05494	34.6
69.03414	5.9
69.07078	7.9
70.58868	6.3
71.04995	6.2
79.05494	24.2
81.03422	44.1
81.07056	35.3
83.04963	6.5
83.08606	6.4
85.02897	11.8
91.05477	13.4
93.07053	15.6
95.04967	15.2
95.08617	22.6
97.06532	6.1
103.05421	3.9
105.07039	14.8
107.00349	3.3
107.04928	20.8
107.08591	15.3
109.06535	6.1
109.10173	11.5
117.07034	5.7
119.08562	7.8
121.06506	7.8
121.10151	8.6
123.04441	5.5
123.08072	13.1
125.05891	3.5
127.03873	4.2
131.08577	8.8
133.10110	8.8
135.08118	4.4
135.11679	15.2
143.08530	3.9
145.06474	13.1
145.10168	7.8
149.13301	9.3
157.10118	3.6
159.10527	4.2
159.11678	17.6
164.03984	4.2
167.07100	5.4
167.10683	8.9
169.10112	10.8
169.72864	4.0
177.05513	5.2
177.12814	12.2
181.04955	6.3
187.11203	16.3
195.13853	9.0
205.93929	3.6
207.11409	3.4
217.96603	3.4
223.13283	41.3
223.16832	8.3
231.62784	3.9
241.14305	100.0
242.14828	7.6
251.90279	3.3
276.69534	3.9
280.57666	3.4
293.98608	3.5
329.21014	5.4
349.99854	3.8
409.86935	3.7
421.14459	7.9
421.26001	8.1
421.31042	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	421.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01866	0.4
55.05510	2.4
57.03431	0.7
57.07069	0.6
65.03938	0.8
67.05486	3.6
68.53841	0.3
68.99796	0.7
69.03426	6.9
69.07060	1.9
71.04990	0.8
75.23122	0.4
79.05487	6.1
81.03410	2.8
81.07043	5.5
83.04974	2.4
83.08608	1.0
84.88209	0.3
85.02898	1.5
85.06536	1.8
87.00814	2.6
91.05473	7.0
93.07046	4.6
95.04958	2.2
95.08587	2.2
97.02873	3.0
97.06515	0.5
99.04450	0.8
103.05451	0.5
105.01903	0.5
105.04502	0.4
105.07028	7.5
107.04950	5.3
107.08585	19.2
108.08874	0.4
109.02860	3.8
109.06517	2.7
109.10146	6.2
115.05451	1.5
116.03669	0.3
117.07030	2.1
119.04915	0.4
119.06073	0.5
119.08564	3.3
121.06490	2.8
121.09258	0.6
121.10132	11.2
122.07288	6.5
122.10397	0.3
123.08060	1.4
125.09652	0.4
125.30819	0.3
127.03912	14.5
127.04871	0.7
128.04176	0.4
129.07011	0.5
131.08559	3.0
133.10120	100.0
134.10454	3.7
135.04373	0.3
135.08040	7.4
135.11679	1.4
136.12090	0.4
137.06032	1.6
137.09604	56.9
138.09976	1.3
143.08533	0.9
145.04962	0.9
145.10098	2.0
146.12753	0.3
147.08128	0.4
147.11700	2.9
149.09586	3.3
149.13242	8.5
151.07480	0.6
155.14357	0.4
158.10904	1.5
158.29379	0.4
159.11633	0.4
161.05977	0.6
163.14827	1.9
171.10260	0.4
171.11618	0.6
173.09691	0.4
173.13245	6.4
175.07486	0.4
179.06984	0.5
189.12683	0.5
191.14293	43.0
192.14626	2.0
201.12744	0.6
203.14258	0.4
211.14845	0.4
213.03931	3.2
213.12801	0.5
231.04935	1.8
291.10184	0.6
299.16403	0.5
317.17389	1.0
335.18570	1.2
403.17426	1.0
421.18411	0.8
421.30884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	2.1
55.01862	4.4
55.05512	12.1
57.03430	11.0
57.07068	31.7
67.05499	29.3
69.07053	15.4
71.04957	2.6
79.05479	13.4
81.03417	6.7
81.07052	31.5
83.04974	4.8
83.08613	7.3
85.06530	15.4
91.05464	16.8
93.07036	16.6
95.04969	14.3
95.08593	22.3
97.06538	6.0
103.41135	1.9
105.07030	13.7
107.04958	3.8
107.08585	19.4
109.06501	16.0
109.10132	14.5
111.04447	4.3
111.08090	5.5
111.37325	1.9
117.07042	4.7
119.08587	16.5
121.06497	4.5
121.10151	7.9
123.08054	11.7
125.05990	3.7
125.09637	2.3
129.07025	3.3
131.08582	5.7
133.10139	8.7
135.08044	31.0
135.11708	5.5
137.05971	21.1
137.09630	4.4
138.75040	2.1
142.07755	2.0
143.08565	2.8
145.10124	5.6
147.08031	3.7
147.11658	5.3
149.09653	6.9
151.07555	7.3
151.11192	4.0
153.12756	1.9
157.10088	3.1
159.11696	4.1
160.30637	2.0
161.09550	6.1
163.11148	4.0
165.12770	6.8
173.11884	2.6
173.13310	3.7
175.11136	4.2
177.12730	13.7
179.14296	4.8
183.11809	2.5
187.11226	2.6
191.14310	2.5
193.12169	5.4
207.13866	6.7
219.09924	2.8
223.13152	2.0
233.18889	3.1
256.26147	2.1
263.20105	4.9
273.01028	2.1
274.97479	2.3
291.19455	2.7
295.58740	1.9
319.26157	12.3
329.21002	10.8
329.24741	6.5
337.27332	6.0
347.25797	100.0
348.26221	5.4
365.26904	16.5
393.29974	10.6
403.24435	3.9
409.92371	2.6
421.29752	62.4
422.29819	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	421.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
57.07072	81.8
58.07401	1.4
65.93530	0.5
67.05494	0.8
69.07066	7.2
71.08627	66.1
71.25439	0.5
72.08972	0.9
73.06187	0.5
73.06549	2.6
81.07050	1.1
83.08619	3.0
84.45952	0.4
85.10177	38.0
86.10522	0.5
87.04456	1.9
87.29752	0.5
89.06025	100.0
90.06346	1.2
93.06998	0.7
95.08599	1.1
97.10152	2.0
98.33289	0.5
99.11739	5.0
105.07053	0.6
105.67880	0.4
107.07047	3.3
109.10158	0.6
111.11713	2.3
113.13261	3.3
117.09085	0.7
125.13251	1.2
127.14791	2.3
130.08623	2.1
133.08595	49.8
134.08899	0.9
136.64215	0.5
145.10107	0.6
149.02354	0.7
149.24226	0.5
151.09607	3.4
157.10074	0.6
177.11179	7.7
192.76395	0.5
193.89560	0.5
195.12289	3.4
212.99683	0.5
221.13817	0.5
233.05838	0.6
239.14876	17.4
254.31499	0.5
305.21164	0.6
328.12543	0.6
337.29730	0.5
341.26492	1.2
350.36505	0.5
421.35434	2.9
421.79947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.6
63.26048	1.6
69.03430	4.7
69.07041	1.4
70.06580	5.1
72.19156	1.5
79.01852	1.9
81.03409	6.8
85.02887	5.2
95.08612	2.9
97.02894	4.5
107.01299	1.6
109.02882	6.6
112.07600	2.2
118.83002	1.4
119.08521	2.4
123.04438	1.8
125.02316	2.8
127.03905	10.9
132.30426	1.3
136.33487	1.5
138.06354	1.6
143.03413	4.2
151.07506	1.6
153.01811	100.0
153.02887	5.2
154.02136	1.8
158.80524	1.3
165.09032	2.4
171.02869	13.0
181.12282	1.6
207.13847	2.8
225.14784	3.3
243.15970	2.3
297.05994	6.9
301.71548	1.6
315.07043	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	422.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02890	1.0
60.11357	0.9
62.97400	0.9
69.03405	4.2
70.06590	7.0
70.96040	1.4
74.81327	0.9
79.01842	1.5
81.03401	7.7
85.02896	5.7
91.05478	1.5
95.08522	1.3
97.02878	5.4
97.59496	0.9
99.04454	1.8
105.07028	1.7
107.01310	1.3
109.02867	8.0
109.10177	1.2
112.07581	3.4
114.96260	1.0
116.55704	1.0
119.08548	1.3
123.07950	1.2
125.02335	3.0
127.03893	9.2
140.06987	1.3
143.03392	3.3
145.04916	1.6
148.05130	1.1
151.03838	1.1
153.01810	100.0
153.02858	4.2
154.02136	4.0
156.08064	1.8
171.02852	11.5
174.09171	1.3
181.08562	13.5
189.12802	1.0
207.13727	2.2
225.11179	4.3
225.14790	1.1
243.11830	1.0
260.09344	1.2
297.06021	7.7
315.07007	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	422.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78976	1.1
53.03952	2.1
56.28957	1.0
57.03420	1.2
61.01169	1.5
67.05511	1.7
69.03426	4.8
69.52442	5.6
70.06593	6.0
72.04510	2.5
73.02918	1.7
76.02239	1.5
78.03796	2.3
79.01847	2.3
79.05466	2.3
81.03413	6.9
81.07059	1.8
83.04992	1.4
85.02894	6.9
91.05474	2.7
93.07032	3.0
95.04951	2.3
95.08612	1.5
97.02898	7.2
97.06529	1.9
99.04468	2.6
99.05554	1.2
100.02212	1.2
102.03777	4.9
103.03935	2.9
105.07044	1.2
109.02876	6.1
115.03894	1.3
119.08573	1.2
120.04825	1.3
121.10143	4.8
123.08031	1.4
125.02306	2.9
126.05519	3.6
127.03895	10.5
131.06433	1.3
132.04849	1.4
137.09560	1.4
143.03374	3.5
145.04907	2.0
149.07391	8.5
151.06421	1.9
151.07489	8.3
153.01811	100.0
154.02168	3.1
159.08022	1.1
171.02872	15.1
180.06560	2.1
189.09055	1.9
213.10362	2.0
216.08568	1.4
221.86226	1.2
225.11153	1.6
225.14781	1.3
231.11638	1.3
241.09767	3.6
242.10277	1.5
243.11357	3.0
251.37805	1.1
258.12283	1.3
259.10822	2.6
261.12759	1.2
276.42795	1.2
285.12463	2.3
293.11627	16.8
297.06128	7.6
301.11850	5.6
315.07047	13.2
317.13702	3.4
318.12753	1.1
352.80890	1.3
404.12790	2.2
405.16794	4.9
422.13943	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	422.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26408	8.5
70.71348	15.1
79.05487	24.0
81.07057	18.4
84.65009	9.2
85.02888	9.9
91.05457	13.2
95.04937	9.8
97.06496	10.3
105.07020	9.2
108.15029	7.6
109.06544	9.6
109.10146	33.5
111.04411	9.0
119.08572	24.2
123.04357	9.3
133.10088	12.3
137.06020	19.0
137.09604	57.8
143.08562	10.4
147.08067	17.6
150.35757	8.0
161.09575	99.9
163.11319	9.4
165.09085	96.6
179.10672	15.9
189.09126	27.0
207.10117	100.0
225.11211	29.5
314.41577	9.6
404.63037	8.9
422.11313	8.9
444.21240	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	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71344	0.5
66.20720	0.5
67.05482	0.8
69.03417	0.9
69.36971	3.1
70.06586	100.0
71.06922	1.6
78.51659	0.6
81.03410	1.8
84.93917	0.5
85.02905	1.5
85.06512	1.1
97.02885	1.0
109.02872	4.9
112.07597	92.4
113.07925	2.1
115.66870	0.6
116.07069	3.6
127.03882	4.2
140.07054	47.5
141.07411	1.5
158.08115	18.4
159.08456	1.1
196.40697	0.7
200.09183	1.6
212.09096	0.9
213.52478	0.6
266.10190	3.9
284.11264	13.2
285.11722	0.7
302.12250	5.1
361.89783	0.6
422.17209	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.0
65.73367	4.8
67.05500	9.3
69.03422	6.7
71.05003	7.0
71.42776	5.2
79.05489	16.1
81.07050	14.3
83.04987	8.6
85.02915	11.2
91.05454	8.4
93.07052	5.9
95.04967	8.9
97.02882	6.2
97.06509	6.4
98.22990	6.2
99.04436	13.6
102.78130	6.1
105.07024	12.8
107.04964	12.5
109.06503	4.9
109.10157	36.2
111.04464	10.8
115.83882	4.5
115.95141	5.0
119.08575	14.5
124.16070	4.6
129.07045	5.0
133.10146	16.1
137.05972	6.1
137.09586	58.9
143.08577	9.5
145.10092	5.8
147.08069	15.5
161.09605	100.0
165.09097	83.5
173.09608	8.1
179.10652	14.5
189.09065	23.3
197.34839	5.1
207.10138	92.9
207.11952	9.2
225.11105	35.4
265.15790	6.3
267.80786	5.7
296.93652	4.9
405.24072	8.5
423.25204	25.7
430.54501	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	423.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81989	0.8
63.64982	0.8
67.05477	0.8
69.28548	4.7
83.04936	0.8
85.02874	1.1
93.07015	0.9
95.05000	0.8
95.22258	0.8
116.47863	0.8
123.48749	0.8
130.05013	1.5
167.03139	1.8
171.08026	0.9
174.02858	1.6
175.03633	5.8
178.83267	0.9
185.04115	1.4
219.32721	0.8
227.05212	5.4
271.04199	9.1
325.20975	1.3
337.08957	6.0
379.09955	55.9
380.10391	3.3
423.08908	100.0
423.25119	3.3
424.09451	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30275	1.7
55.01870	2.9
55.05493	1.8
57.07068	2.2
61.01143	10.3
61.83216	1.5
67.05464	1.5
69.03429	3.8
69.07070	2.0
70.06599	1.9
71.04974	2.6
72.04517	15.1
73.02908	3.7
78.03790	22.5
81.03398	3.3
83.04963	3.4
85.02899	13.1
85.06530	2.3
86.06065	2.4
88.02209	6.1
91.05486	1.6
95.04958	3.6
97.02856	3.6
98.02403	2.4
99.04462	8.9
99.05574	5.7
100.02217	1.7
101.59615	1.7
102.03140	2.4
102.03758	28.9
103.02151	3.8
103.03941	18.1
109.02877	6.6
114.03746	2.7
114.05515	3.2
120.04810	7.7
124.07603	2.1
126.05506	26.1
127.03909	10.7
131.06367	13.1
132.04800	18.6
133.05045	1.6
141.06595	2.0
142.08636	5.6
147.05820	3.0
149.07433	65.9
150.07802	2.1
153.01851	5.4
154.08627	2.9
159.05795	2.7
171.10135	1.5
175.05327	4.2
180.06516	15.5
184.09534	2.7
184.77037	1.5
198.07623	5.7
211.08525	1.8
216.08653	2.1
222.08073	2.4
231.11580	4.5
257.09482	2.2
261.12701	4.5
275.10608	3.0
293.11624	100.0
294.11963	5.2
318.14148	1.9
327.09860	2.1
343.81091	1.6
345.10822	2.7
384.90100	1.6
405.12271	4.2
405.16974	38.9
423.13110	3.1
433.00665	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	0.7
69.07067	0.5
69.53255	1.7
70.06583	4.1
71.06917	1.0
77.57098	0.4
81.03407	0.6
81.94171	0.4
85.02924	0.5
92.48971	0.4
97.02870	0.5
98.97595	1.1
99.04468	0.7
110.06026	1.8
112.07572	3.1
113.07946	1.2
116.98642	0.6
127.03946	0.4
138.01579	0.4
140.07054	1.1
141.07433	0.7
151.38245	0.4
153.01837	1.3
158.08127	0.7
247.82037	0.5
256.59464	0.5
261.13104	10.7
284.51160	0.4
298.71429	0.5
363.13358	0.8
381.14221	1.1
423.18329	100.0
424.18726	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71881	2.1
57.07072	3.4
59.05004	3.1
60.00580	1.6
67.05492	10.2
67.93867	1.7
68.21967	1.9
69.03427	18.2
69.17870	3.9
69.18248	5.5
70.47771	1.7
81.03421	9.1
81.07044	2.7
82.64696	1.8
84.04497	10.7
85.02892	12.7
85.06536	100.0
86.06049	12.2
86.06895	2.6
91.05436	2.0
93.07046	5.5
98.06017	3.6
99.04447	12.7
102.05540	8.5
107.08606	3.3
108.08109	21.9
108.16412	1.6
110.04351	1.5
110.09718	3.5
113.09664	2.3
127.03909	6.3
129.05492	3.6
130.04988	80.2
135.11685	5.1
138.09161	3.1
141.09067	24.5
150.12782	10.9
152.14323	46.5
152.15501	3.0
154.15959	2.8
159.10155	23.7
160.06578	2.2
161.34529	1.9
166.08635	2.2
175.03621	2.4
178.15849	2.9
182.29303	1.7
193.93898	1.7
196.16919	21.3
200.68922	1.9
236.16434	2.4
240.75438	2.0
251.45230	1.9
261.07291	28.5
264.15976	18.4
266.17477	2.4
271.04114	2.2
281.18567	39.3
283.20209	3.3
285.13284	5.6
303.14307	2.3
307.20175	2.1
308.18408	11.6
325.21198	53.7
326.21411	3.4
379.22226	4.3
423.08386	5.9
423.13330	12.6
423.24789	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	423.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67775	16.1
55.05499	23.8
57.03431	24.4
62.70428	11.4
67.05485	20.2
69.03426	70.0
69.07058	52.3
69.45199	15.7
69.45529	60.7
79.05492	12.1
81.07021	28.4
82.39230	11.9
85.02888	67.3
87.04460	51.6
91.05474	19.0
93.07024	18.7
95.08576	26.3
97.02878	74.8
98.23433	30.0
99.04459	15.6
100.11253	16.4
105.07033	27.5
109.10153	18.4
111.11758	18.1
115.03948	82.3
119.08582	16.9
133.04958	100.0
137.05997	24.9
141.07011	43.9
145.04927	19.8
153.01842	15.2
160.67152	13.1
173.13292	20.2
221.13391	16.3
253.67180	14.1
423.24094	32.0
439.08139	13.3
444.51117	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	423.2223
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05505	19.1
56.34459	7.1
57.03430	29.2
59.05007	7.2
67.05499	19.6
69.03423	99.0
69.07069	64.8
71.10160	6.6
79.05490	13.1
81.03409	12.4
81.07041	40.2
83.08582	7.7
84.04503	27.2
85.02894	91.0
87.04458	54.8
91.05481	15.2
93.07051	29.6
95.04993	7.0
95.08605	20.0
97.02879	61.7
98.06012	7.1
99.04434	17.3
105.07020	15.8
107.08605	16.3
109.02888	8.8
109.10166	11.0
111.11713	12.6
112.07551	6.4
115.03924	84.0
119.08591	13.9
119.09417	7.6
121.10141	7.7
123.11733	7.3
127.03895	16.1
130.04959	32.8
131.08589	12.6
133.04959	100.0
133.10107	12.1
141.06990	28.0
145.04965	16.0
145.10139	8.5
147.07661	6.3
149.13188	9.6
157.10127	7.9
159.11708	7.7
161.13217	9.8
199.41577	5.8
201.16203	6.2
227.13928	25.1
277.93085	6.5
304.48431	7.7
423.20114	7.7
423.24756	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	423.2351
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
54.43974	0.8
55.05494	1.8
66.99070	0.7
67.05493	3.4
69.03406	0.9
69.07062	3.1
79.05491	2.0
80.78776	0.8
81.03434	1.0
81.07050	4.2
83.08624	0.9
84.04491	1.2
91.05466	2.6
93.07040	4.2
95.04955	1.8
95.08607	4.7
105.03358	0.8
105.07010	2.6
107.08574	4.7
109.10150	2.4
117.07038	1.0
119.08529	2.3
121.10128	2.6
123.08055	1.6
127.03990	0.9
129.07008	1.0
130.05029	2.0
131.08501	1.8
135.11644	1.1
137.09584	0.8
142.07816	1.0
143.08521	1.4
145.10127	1.6
147.11662	1.7
149.13272	1.1
157.10187	1.9
159.11653	1.0
173.09633	0.9
201.03702	9.1
203.05247	40.0
204.05515	1.3
228.72304	1.0
233.15349	0.8
243.17293	2.4
245.18744	1.2
409.57806	0.9
423.23495	100.0
424.23798	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	423.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
57.03423	0.8
67.05498	9.2
68.68898	0.6
69.07053	2.5
71.04994	2.7
77.11404	0.6
79.04510	0.5
79.05479	1.6
81.07057	6.4
83.04979	1.0
83.08601	2.3
91.05475	2.0
93.03175	1.0
93.07035	2.3
93.90157	0.5
95.04936	0.6
95.08593	2.7
97.06532	1.4
98.98457	0.8
100.11244	4.6
105.07011	1.4
107.08557	2.1
109.10168	4.9
110.06028	0.6
111.04427	0.9
111.52500	0.5
119.08596	1.1
121.10091	1.0
128.06966	0.5
133.10074	0.8
135.11708	0.8
149.13260	1.7
159.11740	0.8
173.11711	1.0
182.15407	1.9
201.03688	3.5
203.05247	100.0
204.05539	2.3
209.16498	0.7
210.14867	2.5
225.16394	0.6
231.10115	1.3
243.17218	1.6
244.07851	0.8
266.24844	1.7
283.27487	0.8
310.24295	0.8
310.74606	1.0
317.32874	0.6
359.79504	2.0
360.29486	1.0
391.02966	1.3
423.23425	52.8
423.32742	1.4
424.23767	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01751	0.5
53.03919	0.8
55.05494	0.7
56.05032	0.8
57.03428	0.7
59.04995	3.4
60.05333	0.6
65.03974	0.5
67.05484	0.9
68.05011	1.3
69.03419	17.4
69.07053	1.2
69.34334	2.4
69.78735	0.6
70.06572	1.3
79.05489	1.9
80.04987	1.8
81.03410	12.1
81.07037	2.2
83.08641	0.8
84.04499	11.1
84.08117	1.1
85.02895	14.5
85.06543	3.4
86.05555	0.7
86.06056	10.5
87.04474	0.8
91.05480	1.1
93.07036	4.3
94.06549	0.9
95.01319	1.6
95.08601	1.3
96.04495	0.7
96.08108	0.8
97.02892	0.7
98.06051	3.5
98.23458	0.9
99.04449	10.7
102.05524	7.7
105.07037	1.5
106.04110	0.6
107.08575	2.6
108.08108	23.2
109.08886	0.6
110.09676	3.0
112.03967	0.8
113.64294	0.6
114.05508	1.1
119.08575	1.4
121.10078	0.8
122.09673	2.0
123.10430	1.5
123.11611	0.6
124.11239	0.8
124.81783	0.5
126.05491	0.8
129.05502	6.5
130.04990	100.0
131.05318	2.2
134.09666	0.7
135.11679	4.2
138.09145	2.1
147.06525	1.1
150.12766	9.4
151.13470	1.6
152.14330	54.2
153.14693	1.7
154.15909	4.6
159.10136	1.0
166.08597	2.7
178.15886	3.6
179.14250	0.6
184.09708	0.7
190.15855	1.0
192.13817	0.8
196.16954	24.2
197.17332	1.2
208.09566	0.6
235.18111	1.9
236.16429	1.3
237.19609	1.1
261.19641	1.0
264.15930	17.8
266.17505	2.6
275.11060	0.7
281.18570	48.5
282.18884	2.0
283.20178	2.7
307.19983	1.5
308.18509	12.8
309.18881	1.0
325.21185	60.2
326.21353	3.0
379.22238	6.3
379.26230	1.6
423.12817	2.4
423.24918	22.8
424.25104	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.05512	1.1
56.05031	1.0
67.05492	1.2
68.05017	1.6
69.03424	15.8
69.19781	0.6
69.83252	1.5
69.83643	1.3
79.05497	3.7
80.04993	1.3
81.03413	9.1
81.07069	5.2
82.06549	1.0
83.04965	1.6
84.04503	13.1
85.02905	17.4
86.06060	13.8
91.05486	1.3
93.07037	5.1
94.06549	1.1
95.01324	1.5
95.04953	1.4
95.08598	3.0
96.04469	1.3
96.08121	1.2
97.02873	1.0
98.06051	3.9
99.04445	8.2
99.08092	0.7
100.09016	0.6
102.05532	8.4
105.07000	1.2
107.08582	2.6
108.08114	21.3
109.02893	1.0
109.08414	0.8
109.10168	1.7
110.05990	0.7
110.09664	2.7
112.03989	1.1
113.02390	1.1
114.05524	1.0
119.08599	0.9
121.10133	0.7
122.09666	2.9
123.10458	0.7
126.05469	0.9
127.03857	0.9
130.04996	100.0
131.05367	1.3
134.09610	0.8
135.11635	4.4
136.11183	0.9
137.05927	0.8
138.09152	1.7
138.15749	0.6
150.12767	9.9
151.13551	1.3
152.14336	63.1
153.14656	2.0
154.15901	2.1
161.09677	0.9
161.13129	0.8
166.08661	2.6
175.03671	0.7
175.08769	0.7
175.66800	0.7
176.10760	0.7
177.31369	0.7
178.15945	5.0
182.08270	0.8
184.09669	1.0
190.15948	0.9
192.13818	1.3
196.16946	18.3
197.17177	0.8
210.07538	0.9
215.10191	0.6
222.14949	0.9
222.18460	1.2
230.89137	0.6
235.18033	1.5
236.16457	1.9
249.57297	0.6
264.15933	23.0
265.16327	1.3
266.17560	0.8
272.21124	0.6
279.20587	1.0
281.18594	30.6
281.21674	1.0
282.18964	1.6
307.20099	1.6
308.18549	19.6
309.18903	1.8
325.21188	51.9
326.21460	3.3
350.54980	0.7
379.22229	2.5
379.26218	1.5
386.95197	0.8
394.99170	0.9
423.12195	3.6
423.24875	26.9
424.25159	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	423.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
56.05030	1.1
57.03411	0.5
57.81448	0.5
65.15765	0.6
67.05508	1.4
68.05009	1.7
69.03423	21.6
69.07056	1.6
70.06583	1.2
79.05473	1.8
80.05013	0.9
81.03410	11.7
81.07042	2.8
82.06574	1.1
83.04948	1.5
84.04494	11.1
84.08146	0.7
85.02893	15.0
86.06062	5.7
87.04437	0.9
91.05466	1.3
93.07024	4.8
94.06539	0.8
95.01342	1.1
95.08582	2.3
96.04456	0.8
96.08120	1.0
98.06030	2.9
99.04432	11.1
100.11472	0.6
102.05525	8.4
105.07011	1.2
106.06492	0.7
107.08583	2.7
108.08105	28.4
109.10136	1.0
110.05995	0.7
110.09669	4.3
112.03953	1.1
114.05465	1.3
119.08509	0.9
121.10133	0.5
122.09634	1.5
123.10449	1.0
124.11188	0.9
130.04987	100.0
131.05307	1.3
134.09633	1.4
135.11687	5.2
138.09125	1.3
142.04979	1.3
148.07739	0.7
150.12759	12.7
151.13573	1.6
152.14326	62.9
153.14725	2.2
154.15877	4.9
166.08601	1.3
178.15913	2.3
190.15915	1.0
190.49055	0.8
192.13794	1.1
193.13234	0.7
196.16948	18.8
197.17261	0.9
207.14751	0.6
210.07547	0.8
220.16856	0.9
235.17970	3.0
236.16434	1.6
261.19623	1.0
262.14478	0.7
264.15900	16.1
266.17523	2.4
281.18567	56.4
282.18890	3.4
283.20126	1.3
307.20230	0.7
308.18500	8.5
325.21155	30.0
326.21518	2.0
379.22208	15.0
423.24832	19.0
424.24899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93816	0.6
50.94638	0.6
53.03931	1.3
55.01862	1.8
55.05511	6.5
55.09521	0.7
56.05029	1.9
57.03424	2.8
57.07068	1.7
61.79424	0.6
63.05320	0.6
65.03934	1.6
65.24333	0.7
67.05501	27.8
67.53224	0.7
68.05017	1.7
69.03420	23.2
69.07067	5.3
70.06583	2.2
71.04984	2.0
74.02437	0.7
76.93185	0.7
79.05484	13.4
81.03406	12.7
81.06567	1.5
81.07046	29.8
83.04961	1.5
83.08617	1.6
84.04496	81.9
85.02893	3.0
85.04831	0.8
86.06050	0.9
90.75035	0.6
91.05470	9.5
93.07038	13.8
94.06554	2.1
94.34492	0.7
95.04965	6.6
95.08595	45.0
97.06512	1.3
98.06041	1.4
98.09702	1.9
99.04441	10.9
101.07129	6.8
102.05537	2.1
105.04510	0.7
105.07015	12.0
107.04955	1.2
107.08590	8.2
109.06530	4.3
109.10138	21.6
111.08106	0.9
114.05511	4.4
116.07066	2.5
117.07014	1.3
119.08572	12.2
121.06482	1.6
121.10131	3.6
122.06065	1.0
123.08038	4.5
123.11717	2.3
127.03857	0.9
128.21677	0.6
130.04988	100.0
131.05298	2.0
131.08556	1.8
133.10121	5.0
135.07994	0.8
135.11707	4.2
135.12607	0.8
137.09605	5.4
137.13239	1.5
142.04977	8.2
143.08594	2.2
145.06450	0.8
145.10091	3.1
147.07631	49.7
149.09584	3.5
149.13206	0.8
151.14798	10.9
156.06461	0.7
156.09259	0.8
157.10080	1.6
159.08014	0.9
159.11665	1.6
161.09637	2.2
161.13242	9.9
163.03899	0.9
164.10672	1.9
168.06586	3.7
169.10098	2.2
171.08041	1.0
171.11716	1.2
173.09612	2.1
175.14793	0.8
179.14284	12.3
181.10068	1.1
185.13364	0.8
191.08421	0.7
191.52861	0.8
193.10129	1.2
195.11650	2.1
196.16982	1.2
197.13316	1.3
209.09610	0.9
209.13235	1.5
210.11250	12.4
211.11305	1.2
219.11710	1.0
223.11131	1.7
227.10448	1.2
227.13873	27.2
228.14209	1.2
235.14818	0.8
247.14803	0.9
261.09940	0.9
263.14331	1.5
265.16019	1.6
275.16513	1.0
279.20688	1.0
281.15308	1.5
299.16428	1.1
307.20050	1.7
308.18414	1.7
325.21170	33.7
326.21497	1.7
339.19418	1.4
342.20926	1.0
353.21249	1.8
387.23462	1.4
396.78299	0.8
405.23874	3.5
423.15942	2.4
423.20163	0.9
423.24707	16.2
423.29752	1.2
424.25595	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05505	5.2
57.03423	2.2
57.07068	7.0
60.90697	1.0
67.05496	10.3
69.03418	1.2
69.07065	9.4
71.04994	1.5
71.08630	5.2
79.05492	7.8
81.07048	14.8
83.04922	1.7
83.08616	3.3
85.06542	3.7
91.04967	1.7
91.05441	6.6
92.54348	1.1
93.07024	8.8
95.04966	1.2
95.08587	11.6
97.06510	1.9
97.10162	1.3
99.08063	1.7
105.07020	7.1
107.08582	8.9
109.06509	23.1
109.10134	5.3
111.08022	1.3
119.08527	6.5
121.10145	4.7
122.07298	2.8
123.08057	40.4
123.11686	1.9
123.17430	1.2
128.55832	1.1
131.08565	2.9
133.10117	4.1
135.08058	8.0
135.11687	2.2
137.09607	1.3
137.13257	1.4
139.44394	1.0
143.08508	1.3
145.10114	2.4
147.11685	3.5
149.09613	1.6
152.11470	1.1
159.11751	2.2
160.43655	1.0
161.13257	1.9
163.14894	1.3
165.12715	1.7
167.14276	1.6
173.11734	1.4
177.12805	1.1
179.14284	88.1
180.14642	2.3
181.84642	1.1
191.14322	1.2
193.15897	3.9
205.15865	4.0
233.19063	1.3
263.20181	1.3
275.19940	2.5
293.21097	1.1
303.26846	2.4
331.26230	39.2
332.26633	4.0
349.27261	8.8
385.14233	1.3
405.30154	2.0
423.31024	100.0
424.31345	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.2
57.07082	3.9
57.41212	2.6
67.05500	14.9
69.07076	9.7
70.60941	4.2
71.04964	2.0
79.05505	7.9
81.07050	17.7
83.08639	6.0
85.06541	4.8
91.05486	6.1
93.07021	10.8
95.08572	12.5
97.06517	2.5
99.08097	2.6
105.07037	3.6
107.08604	8.1
109.06466	13.4
109.10166	8.8
111.08112	3.3
119.08598	8.4
121.10176	9.6
123.08064	46.5
123.08895	3.7
125.09595	2.8
131.08578	3.3
133.10168	5.3
135.08035	14.1
145.10176	6.4
149.09647	4.8
159.11734	5.5
175.14796	3.1
177.12770	5.4
179.14296	43.5
179.15712	3.7
193.15996	2.6
213.12839	2.1
233.19202	2.7
275.20117	3.2
303.26959	6.0
331.26279	50.1
332.26700	4.2
367.24710	2.6
423.31259	100.0
424.26590	2.7
424.31613	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05508	7.2
57.03425	2.9
57.07063	1.9
67.05502	12.2
69.03429	1.0
69.07067	11.8
71.04987	2.3
71.08646	1.4
79.05489	6.7
81.07056	16.7
83.04992	1.9
83.08617	5.1
85.06584	1.1
89.06026	1.0
91.05472	5.4
93.07037	11.1
95.04956	1.3
95.08598	15.4
97.06528	3.1
97.10153	1.8
97.20484	0.8
99.08100	1.2
105.07034	6.2
107.08591	11.2
108.35734	0.9
109.06519	13.8
109.10143	8.7
111.08070	2.4
113.88680	0.9
117.07013	1.3
119.08560	7.6
121.10149	9.2
123.08061	58.4
123.11707	3.5
124.08421	1.7
131.08566	3.3
133.10133	4.7
135.08046	9.9
135.11691	3.6
137.09619	3.9
137.13290	1.0
145.10092	4.0
147.11691	3.1
149.09613	2.7
149.13292	2.4
151.11272	1.4
157.10092	1.4
159.11697	4.0
160.91913	0.9
161.13239	1.6
163.11200	1.4
165.12762	1.7
172.24451	0.9
173.13214	1.4
175.14824	1.2
177.11336	0.8
177.12697	4.8
178.97731	0.9
179.14296	25.9
187.14751	1.1
193.15921	1.7
205.15863	1.4
233.19098	1.7
247.20590	2.0
263.20004	2.1
275.20001	4.5
289.25488	1.2
293.21060	3.8
302.87717	0.9
303.26840	6.9
313.24863	1.2
331.26300	33.8
332.26724	3.2
332.85361	0.9
349.27362	8.7
367.24908	2.4
405.30121	2.2
423.31015	100.0
424.31448	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05508	4.8
57.03410	1.4
57.07067	6.1
63.25827	0.7
67.05500	9.1
69.07067	7.9
69.99158	0.9
69.99498	1.7
71.04951	1.0
71.08641	4.2
75.04472	1.0
79.05494	6.2
81.07046	15.9
83.04956	1.4
83.08576	2.6
85.06530	3.3
89.05990	1.6
91.05480	5.7
93.07034	10.9
95.04999	1.6
95.08594	14.0
97.06531	1.7
97.10145	2.0
99.08074	2.2
105.07018	7.5
107.08582	10.1
109.06507	20.8
109.10148	7.0
111.08121	1.3
117.06999	0.9
119.08566	8.9
121.06472	1.0
121.10114	6.6
122.07266	2.9
123.08058	33.8
123.11699	2.2
124.08338	1.5
127.11064	0.7
131.08554	3.7
133.08589	1.1
133.10129	5.5
135.08043	7.7
135.11694	3.4
137.09613	1.3
137.13245	1.7
143.08549	1.1
145.10103	3.7
147.11655	3.7
149.09578	1.7
149.13234	2.3
159.11684	3.7
161.13242	1.9
163.14775	0.8
165.12779	1.2
167.14326	1.2
171.11702	0.9
173.13252	2.3
175.14749	2.2
177.12746	2.2
179.14293	100.0
180.14578	5.7
180.29285	0.7
185.13315	1.2
187.14793	1.9
189.16394	1.1
191.14351	1.9
193.15823	4.4
201.16296	1.9
203.17908	1.0
205.15845	4.4
213.16472	1.5
220.38087	0.8
233.18935	1.0
264.76102	0.8
275.20056	1.5
303.26770	2.0
313.25143	0.9
331.26270	42.2
332.26715	3.4
349.27560	1.2
350.42380	0.9
367.24756	1.2
405.30179	1.2
423.31030	82.7
423.35934	4.4
424.31293	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
55.05512	4.3
57.03412	1.8
57.07074	6.2
67.05502	8.4
69.07059	5.0
69.38527	2.1
71.04952	1.2
71.08334	0.5
71.08627	4.7
79.05482	6.4
81.07051	14.6
82.31589	0.4
83.04990	0.6
83.08617	2.3
83.64709	0.5
85.06547	3.2
89.06013	2.1
91.05470	4.4
93.07041	8.0
95.04938	1.6
95.08604	11.8
97.06519	1.8
97.10124	1.0
99.08066	3.0
105.07030	5.3
107.04967	0.5
107.07943	0.5
107.08587	6.8
107.78441	0.4
109.06512	23.2
109.10133	3.7
111.08061	1.7
117.07010	0.8
119.08580	5.3
121.06527	0.6
121.10133	4.8
122.07251	1.6
123.08061	34.5
123.11653	1.7
124.08355	0.6
131.08531	2.0
133.08551	0.9
133.10094	3.2
135.08040	7.8
135.11667	2.3
136.08734	0.6
137.09610	1.4
137.13181	0.5
143.08536	1.1
145.10156	2.4
145.11143	0.5
147.11667	3.0
149.09622	1.9
149.13217	1.5
157.10110	0.7
159.11664	2.0
161.09570	1.0
161.13246	0.9
163.11119	0.6
163.14807	1.1
165.12727	1.5
167.14316	1.4
171.11691	0.7
173.13226	0.8
175.14801	0.9
177.12666	1.7
179.14293	100.0
180.14673	4.4
185.13239	0.6
187.14749	0.8
191.14322	1.0
193.12274	0.6
193.15887	3.4
201.16255	0.6
205.15875	5.1
233.19035	1.0
238.55005	0.5
239.14914	0.6
247.20607	0.8
263.20007	0.8
275.20099	1.8
289.21716	0.6
289.25159	1.1
303.26770	2.0
313.25174	0.7
319.42505	0.4
331.26288	41.8
332.26590	3.2
349.27292	0.9
367.24847	1.6
405.29907	1.1
423.31036	92.0
424.26212	0.8
424.31412	9.5
446.87982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.2
55.01855	0.4
55.05496	0.4
58.51604	0.2
61.59895	0.2
67.05499	0.4
69.03416	0.8
69.07041	0.6
71.04984	0.3
73.02893	0.2
79.05487	0.4
81.03415	0.9
81.07040	0.6
83.08589	0.2
84.04476	0.2
85.02887	2.0
85.06553	0.2
87.00825	0.6
91.05475	0.5
93.07031	0.7
93.14182	0.2
95.08598	0.9
97.02878	0.9
97.06512	0.4
99.04414	0.3
99.08073	0.3
105.01852	0.7
105.07006	0.5
106.07330	0.2
107.08599	0.3
108.04470	0.5
109.02891	0.6
109.10126	0.5
115.05431	2.9
117.07022	0.3
118.44640	0.2
119.08562	0.7
121.10092	0.2
123.11675	0.3
126.05490	0.3
127.03883	1.5
131.08569	0.3
135.08070	0.2
141.06969	100.0
142.07304	4.1
143.08485	0.3
145.04924	0.5
145.10101	0.5
147.11673	0.3
155.08504	0.6
157.10074	0.3
159.02881	0.6
159.11673	0.2
161.13239	0.2
162.13591	0.2
163.11108	0.2
167.07007	0.5
171.11656	0.3
173.09558	0.2
173.13252	0.2
183.08037	0.6
183.11578	0.2
184.12050	0.2
185.13268	0.2
187.14708	0.2
191.10596	0.2
195.07976	0.2
199.14690	0.2
200.11514	0.2
212.83478	0.2
215.14342	0.2
227.14059	0.2
230.06581	0.3
248.07683	0.3
249.09071	0.3
267.09866	0.3
287.10205	0.5
368.91245	0.2
406.24628	0.4
423.32379	0.3
424.19598	0.5
424.25421	3.3
424.32538	0.4
425.21075	0.4
425.26492	0.5
440.85648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.2
55.01855	0.4
55.05496	0.4
58.51604	0.2
61.59895	0.2
67.05499	0.4
69.03416	0.8
69.07041	0.6
71.04984	0.3
73.02893	0.2
79.05487	0.4
81.03415	0.9
81.07040	0.6
83.08589	0.2
84.04476	0.2
85.02887	2.0
85.06553	0.2
87.00825	0.6
91.05475	0.5
93.07031	0.7
93.14182	0.2
95.08598	0.9
97.02878	0.9
97.06512	0.4
99.04414	0.3
99.08073	0.3
105.01852	0.7
105.07006	0.5
106.07330	0.2
107.08599	0.3
108.04470	0.5
109.02891	0.6
109.10126	0.5
115.05431	2.9
117.07022	0.3
118.44640	0.2
119.08562	0.7
121.10092	0.2
123.11675	0.3
126.05490	0.3
127.03883	1.5
131.08569	0.3
135.08070	0.2
141.06969	100.0
142.07304	4.1
143.08485	0.3
145.04924	0.5
145.10101	0.5
147.11673	0.3
155.08504	0.6
157.10074	0.3
159.02881	0.6
159.11673	0.2
161.13239	0.2
162.13591	0.2
163.11108	0.2
167.07007	0.5
171.11656	0.3
173.09558	0.2
173.13252	0.2
183.08037	0.6
183.11578	0.2
184.12050	0.2
185.13268	0.2
187.14708	0.2
191.10596	0.2
195.07976	0.2
199.14690	0.2
200.11514	0.2
212.83478	0.2
215.14342	0.2
227.14059	0.2
230.06581	0.3
248.07683	0.3
249.09071	0.3
267.09866	0.3
287.10205	0.5
368.91245	0.2
406.24628	0.4
423.32379	0.3
424.19598	0.5
424.25421	3.3
424.32538	0.4
425.21075	0.4
425.26492	0.5
440.85648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23622	4.1
56.96559	21.8
69.03422	11.4
69.92421	5.1
69.92738	9.7
70.06587	73.5
70.06945	6.9
70.13638	4.0
72.30830	4.7
81.03429	11.0
84.04539	4.7
85.02892	12.3
91.05470	9.0
92.99110	3.9
97.02878	9.5
98.97601	8.7
99.05567	5.3
103.05431	10.9
107.04949	5.9
109.06516	6.6
110.97581	7.1
112.07603	57.9
116.98586	6.8
118.08634	6.6
119.04951	5.5
121.06526	12.0
123.04429	7.5
127.03905	11.0
130.05084	4.6
131.04941	12.4
133.02887	21.5
137.05983	15.6
140.07071	38.6
145.05020	4.9
145.06133	10.5
149.05962	25.9
153.01825	100.0
153.03036	6.1
158.08121	5.4
159.04456	4.5
165.05461	24.1
167.07005	28.1
171.02863	6.4
174.99153	6.6
177.05437	50.0
191.07072	5.4
197.08080	54.4
200.08615	10.5
202.10056	7.7
209.08089	63.4
227.09068	27.3
237.00691	11.1
255.01691	7.7
273.02805	10.4
284.11151	6.9
297.05954	4.9
310.09106	4.3
315.07001	12.3
319.00882	5.4
381.11136	5.2
411.83545	4.5
424.12430	9.8
424.27075	6.0
425.10449	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	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.21165	0.4
55.01874	0.5
59.04995	55.4
60.05342	0.7
61.02915	0.4
66.56998	0.4
66.68763	0.4
67.05500	1.3
69.00400	0.4
69.03426	4.2
69.07075	0.9
71.04980	0.5
71.43803	0.4
73.02915	1.6
74.06971	0.4
79.05486	0.4
81.03411	5.0
81.07052	1.0
85.02889	4.5
85.06540	5.6
85.12794	0.4
87.04453	2.2
93.07058	1.2
94.11432	0.4
95.08585	0.9
97.02877	4.8
98.09679	1.3
99.04449	2.0
101.06008	13.9
105.07018	1.0
107.08614	0.7
108.08095	0.4
109.02884	3.1
109.06495	0.4
115.03929	5.9
117.05474	1.3
119.08613	0.5
121.10165	0.6
123.08080	0.5
127.03899	3.7
129.05463	100.0
130.04955	1.2
130.05824	2.1
131.05313	0.5
141.09111	2.2
141.93036	0.4
143.08495	0.4
145.05008	2.1
147.05328	0.8
147.06509	15.9
148.06918	0.5
149.09674	0.4
152.14363	0.7
159.10156	2.6
174.05531	0.5
192.07344	0.4
201.07663	0.4
225.12904	0.4
227.12752	1.1
259.08032	1.2
261.07050	0.5
262.07330	0.4
273.09647	4.6
279.19565	0.4
283.28329	0.4
291.10693	5.8
424.24426	0.4
425.26691	0.9
441.08578	0.4
449.47342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
67.05482	0.7
68.05022	2.6
69.03419	3.7
69.07040	0.4
71.04985	5.7
79.05482	1.9
81.03398	1.1
81.07017	0.4
82.58765	0.3
83.08611	0.4
84.04494	1.6
85.02902	1.0
86.06053	0.5
88.60135	0.4
91.05457	1.8
93.07029	6.8
95.04977	0.7
95.08606	0.8
96.04489	6.2
97.02879	1.9
105.04578	0.4
105.07027	1.1
107.08579	0.9
109.02879	0.6
109.10153	0.3
109.29633	0.3
111.04400	0.6
114.05515	100.0
115.05847	1.2
119.08553	2.0
121.10130	6.4
127.03877	0.7
127.05518	0.3
129.06978	0.5
131.08557	0.8
141.88171	0.4
143.08578	0.4
145.10071	0.4
149.09558	1.6
156.06557	2.2
167.10645	0.9
177.47920	0.4
213.34518	0.4
267.17447	0.4
284.17673	0.7
285.18466	0.9
288.92886	0.4
406.18369	1.9
407.25851	1.0
424.19510	5.0
424.25375	0.5
425.17709	0.8
425.26529	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53691	5.3
52.64569	5.1
55.05484	14.6
69.03415	6.4
69.07088	5.9
71.43358	6.3
71.43737	5.6
79.05506	7.1
81.07058	10.1
83.04990	14.8
83.08616	9.6
85.02917	6.5
85.06558	10.9
91.05475	7.1
93.07022	9.5
95.04952	24.4
99.04458	5.6
107.08582	23.2
109.10164	16.6
119.08544	7.0
121.10149	55.6
122.86549	5.9
123.11701	8.5
128.76807	6.1
130.08594	5.3
133.10143	12.6
136.70615	5.2
146.85725	6.1
151.11186	23.9
153.09158	7.1
162.57068	5.5
163.14841	16.3
167.14284	15.1
175.14854	6.1
191.14276	8.3
192.07295	5.7
209.15350	100.0
227.16440	10.8
317.20157	5.6
325.79181	5.7
361.49646	7.2
425.10101	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
55.05500	8.3
57.07070	4.3
67.05495	9.8
69.03400	7.6
69.06759	2.6
69.07068	26.3
70.04068	6.8
71.04977	6.8
71.08611	5.3
71.23132	2.9
73.02899	3.5
79.05511	5.3
81.07054	23.0
83.04967	4.5
83.08619	6.5
85.02892	25.4
85.06512	10.6
91.05451	7.1
92.05791	3.5
93.07031	6.7
95.04992	3.7
95.08588	16.2
97.06517	5.5
97.10139	2.6
99.04433	8.5
99.08084	5.7
101.02377	7.8
105.07025	10.9
107.08585	13.4
109.06521	7.1
109.10217	3.3
111.08051	2.7
117.06965	2.7
119.08572	8.3
121.06433	3.7
121.10143	12.6
123.08053	5.5
123.11703	33.2
127.07539	7.1
131.08600	3.9
133.10126	2.9
137.13188	3.1
141.09106	3.6
143.08505	3.4
145.10080	7.4
147.11681	37.2
155.14296	8.2
159.07976	4.5
159.11617	2.9
161.09525	2.7
165.12747	21.1
172.95409	2.9
183.13792	100.0
184.14142	3.2
197.13266	3.2
201.14833	70.0
202.15382	3.2
209.42824	2.5
243.09862	2.7
263.12540	5.3
343.56949	2.6
424.24908	7.9
425.17596	7.9
425.25427	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68140	1.7
55.05499	3.2
57.07072	70.2
61.61327	1.6
66.31208	1.3
67.05470	1.4
69.07058	7.1
71.08629	50.6
73.06541	2.4
80.44354	1.6
81.07061	2.3
83.08649	2.3
84.17883	1.6
85.10175	36.5
87.04480	1.5
89.06023	100.0
95.08604	2.0
97.10157	4.3
99.11724	7.5
106.60848	1.7
107.07058	2.6
111.11685	3.9
113.13289	4.4
119.08589	1.6
130.08620	1.9
133.08595	63.8
137.30511	1.6
151.09634	5.6
155.87218	1.6
169.19527	2.9
177.11215	12.4
195.12282	4.1
200.73170	1.5
228.81850	1.7
229.30241	1.7
239.14851	41.0
257.24789	3.3
265.96356	1.7
285.93820	1.9
301.27420	2.1
407.33603	28.1
408.34006	2.4
420.91537	1.8
424.27377	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.4
57.07073	59.7
67.05498	5.1
69.07058	7.2
69.09599	14.2
70.07401	1.9
71.00433	1.7
71.08624	43.0
73.06557	4.5
79.05502	4.6
81.07054	10.9
82.07388	2.5
83.08617	4.1
85.10173	30.2
89.06023	100.0
90.32702	1.6
91.05508	4.9
93.07042	9.0
94.07365	3.7
95.08604	16.5
96.08958	5.9
97.10162	5.3
97.65356	1.8
99.11742	9.4
105.07028	7.6
107.07040	2.4
107.08572	10.0
108.08930	4.2
109.10162	7.2
110.10494	3.0
111.11707	2.8
113.13267	2.5
117.09142	3.4
119.08585	8.2
119.80046	2.2
120.08929	5.0
121.10137	9.0
122.10456	4.1
123.11715	3.8
133.08600	68.3
133.10155	5.9
135.11668	3.7
136.12006	2.3
145.10118	3.7
147.11705	3.7
149.13245	3.3
151.09627	3.4
159.11697	4.4
161.13216	3.8
162.13617	2.3
163.14874	3.6
164.15221	3.3
169.19487	5.4
173.13295	1.8
174.13605	2.3
175.14862	2.7
177.11241	15.0
191.17963	3.7
192.18280	3.0
195.12297	4.7
204.18292	2.7
215.17998	2.0
216.18283	2.0
217.19514	3.2
230.19843	2.1
231.99588	2.0
239.14873	48.8
257.24814	3.5
265.69131	1.8
301.27322	3.2
323.78500	2.1
407.33759	30.2
408.33777	2.5
424.27393	3.2
424.36594	17.7
441.41089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.8
64.89079	0.6
69.37317	3.2
70.61258	0.7
82.99875	2.9
94.92982	1.4
97.02869	1.0
98.97556	2.4
101.00867	16.7
103.02399	1.0
112.89625	5.1
113.00870	3.8
115.02418	0.9
116.98640	1.2
119.01905	29.0
120.02018	0.8
127.02399	2.4
128.98605	1.0
129.03983	1.6
130.02670	0.6
131.00992	0.7
131.01891	10.3
133.03453	0.7
137.02892	2.0
139.02390	0.9
143.01886	34.5
144.01949	1.7
145.00751	1.3
145.03441	9.2
147.01389	1.1
147.05077	1.5
149.02826	0.9
155.01871	12.6
156.02020	1.3
157.03452	6.5
159.05064	0.9
159.51503	0.6
160.01280	0.7
161.02942	47.6
162.03102	2.2
163.04526	1.0
167.01892	8.9
169.03413	3.1
171.04991	2.6
173.02939	19.9
174.03082	1.1
175.04514	1.1
177.06033	2.2
179.01855	4.0
181.01791	1.3
181.23741	0.8
185.02936	31.8
186.03139	2.1
187.04510	2.9
189.03972	0.7
191.03986	3.7
195.07066	0.9
197.02927	14.2
198.02971	1.3
201.00656	1.0
203.03990	15.1
204.04091	1.8
209.02882	1.3
211.02754	1.4
214.01440	0.7
215.03961	6.5
217.02834	1.0
219.01669	0.9
219.07158	2.2
221.03134	0.9
221.05035	3.3
227.03908	6.8
231.07021	0.8
232.03365	3.2
239.04065	1.1
240.98944	1.1
245.05043	100.0
246.05251	5.8
257.05032	6.5
263.00372	0.8
263.06076	25.8
264.06290	2.1
275.06073	15.0
276.06216	1.6
276.97430	0.7
283.84784	0.8
293.07086	4.6
299.02765	0.9
305.07193	9.2
306.07333	1.1
321.10287	10.4
335.08008	1.9
339.02570	0.8
365.09271	3.8
383.10187	1.0
384.37070	0.8
425.06198	4.4
425.11292	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	3.1
69.03408	1.4
70.98091	0.9
71.31413	1.3
77.00897	0.9
82.99865	2.4
85.02908	1.1
97.02877	1.4
98.97592	4.1
101.00867	17.5
109.02840	1.1
110.97510	1.5
113.00863	3.3
116.98602	1.2
119.01904	23.9
127.02390	3.3
128.98547	1.6
131.01897	9.4
137.03003	1.4
139.02425	2.0
143.01881	34.3
144.02003	2.3
145.03447	10.2
146.03485	0.8
147.01349	1.7
147.03165	1.1
149.02905	1.5
153.01797	1.3
155.01860	15.3
156.98051	1.1
157.03459	7.4
158.99605	1.8
161.02945	48.5
162.03130	2.5
163.04422	0.7
167.01895	8.6
169.03419	3.9
171.04965	2.7
173.02937	20.3
174.02971	1.2
174.99138	1.1
175.04529	1.7
177.04240	1.1
179.01860	3.9
185.02928	33.0
186.03076	2.1
187.04436	4.3
191.04005	4.2
197.02950	14.3
198.03122	1.5
203.04013	15.8
209.02937	1.0
211.04591	1.2
215.03979	6.4
216.04118	1.1
219.01714	1.5
221.03062	1.2
221.04996	3.3
227.04001	6.5
228.04152	1.0
233.05162	1.2
236.43701	0.8
237.02824	1.8
239.03941	3.0
240.98950	1.4
245.05037	100.0
246.05237	7.6
257.05060	6.4
261.02866	0.9
263.03455	1.5
263.06100	27.5
275.06094	11.8
277.03262	1.3
281.01834	1.4
285.02756	0.8
293.07211	5.1
302.08261	0.8
303.01233	2.6
305.01785	1.2
305.07269	6.9
307.08493	0.9
321.10004	2.8
323.02679	1.1
335.08228	2.7
337.02374	1.2
339.09772	1.4
365.09036	3.7
383.08182	1.6
403.01605	1.1
425.11630	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	425.1418
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
52.28104	0.3
53.03945	0.4
59.04982	0.5
63.35130	0.4
67.05490	0.4
69.03427	0.8
69.26904	0.4
69.62183	0.3
70.06590	2.1
70.08179	0.3
71.23691	0.3
74.88863	0.3
81.03396	1.2
81.07047	0.5
85.02868	0.6
86.65708	0.4
91.05459	2.6
95.04955	2.2
97.02900	0.6
97.06528	0.4
99.04446	0.5
102.58765	0.3
110.09644	0.5
111.04440	0.7
112.07596	0.5
114.14162	0.4
115.05440	0.7
117.06970	0.7
119.08646	0.4
127.03964	0.6
129.06927	0.4
138.09148	0.4
144.05730	0.5
145.06468	1.1
153.01831	1.8
154.15230	0.4
159.08093	0.5
161.05989	0.6
187.07578	0.6
191.07013	0.4
193.08507	0.4
194.09444	0.7
201.09068	0.5
205.08583	2.8
207.10056	0.5
223.09691	0.4
263.13840	0.5
285.11136	0.6
303.12192	1.6
311.09506	0.6
321.13168	0.8
407.17209	0.6
425.14066	100.0
426.13739	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.9
61.06419	1.9
67.05503	12.1
69.07063	10.6
79.05485	9.6
81.07042	28.8
83.08600	3.5
83.57661	1.5
85.18269	1.9
91.05440	8.8
93.07028	21.2
94.07326	1.9
95.04974	3.4
95.08016	3.4
95.08595	48.8
97.06525	2.6
97.10188	2.0
105.07014	19.2
107.08579	30.6
109.06484	2.4
109.10152	23.5
117.07014	3.3
119.08556	25.8
121.06535	3.0
121.10145	21.0
123.08015	2.6
123.11696	6.5
129.07027	2.2
131.08537	6.9
133.10135	16.2
134.70328	1.7
135.11668	9.2
137.13235	1.9
143.08569	4.3
145.10095	11.7
146.10576	2.0
147.08052	3.8
147.11661	16.1
149.13231	15.2
149.82425	1.6
157.10103	4.3
159.11681	10.7
161.09613	3.7
161.13274	13.3
163.14796	13.1
171.11678	4.3
173.09657	2.3
173.13258	13.6
175.11192	3.2
175.14821	13.2
177.16357	13.5
183.11595	2.4
185.13126	4.3
187.14737	11.2
189.16376	12.7
191.14337	8.2
191.17964	5.5
201.16357	6.2
203.05191	2.8
203.14270	7.2
203.17932	21.5
205.15802	2.7
205.19574	2.8
213.16400	3.5
215.14351	2.6
219.13806	2.9
221.15401	6.9
243.04718	11.8
245.06340	11.4
247.17177	2.0
271.04291	2.5
287.00522	4.2
287.03708	80.7
288.03918	2.6
289.05264	100.0
290.05722	2.7
325.68173	1.8
379.33585	2.8
381.18869	5.2
395.33398	2.9
407.33014	8.8
424.33197	2.8
425.17770	71.6
425.24844	5.5
425.34192	31.2
426.18094	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	425.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37545	0.6
55.05488	1.2
67.05499	1.1
69.07036	1.6
69.98698	1.3
69.99027	1.4
79.05467	2.0
81.07054	6.4
81.16994	0.6
83.08576	0.8
93.06993	0.6
94.33444	0.6
95.08595	3.4
98.19301	0.7
101.00858	1.0
105.06989	1.0
107.08583	0.9
109.10133	1.0
119.01917	0.7
119.08546	0.9
127.00031	0.7
142.70581	0.7
157.03496	0.8
161.02892	0.8
184.06534	0.7
185.04138	0.9
187.00830	0.8
201.03682	2.0
203.05283	2.9
227.05286	1.9
243.04749	14.1
245.06326	10.2
271.04150	2.5
287.03717	100.0
288.04089	2.8
289.05270	91.9
290.05560	3.0
339.17670	0.7
360.18677	0.6
381.18762	7.1
382.19345	0.9
425.17773	69.8
426.17917	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51545	25.8
67.05479	32.7
69.07056	40.0
72.27200	21.7
81.07057	56.7
88.73473	25.7
89.06017	28.2
90.53090	21.2
93.07031	56.9
93.65430	27.1
95.08612	68.7
98.22609	52.8
105.07030	44.4
107.08554	49.8
109.10180	37.0
115.13842	22.4
123.11732	28.4
124.37397	26.2
135.11708	45.3
136.99144	26.3
145.10095	26.6
161.13162	24.8
210.08128	28.9
425.37827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	100.0
70.30617	90.2
70.30963	66.6
81.07028	86.8
86.08940	73.3
95.08645	83.4
121.10121	74.4
135.11658	89.0
135.61623	63.1
143.94749	64.3
149.25018	79.2
149.81740	66.2
169.31779	61.5
260.24149	75.9
402.02658	77.6
425.37656	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05501	21.7
57.07067	8.6
67.05486	29.1
69.07060	40.3
71.08637	5.4
79.05474	15.7
81.07053	57.7
83.08610	15.2
89.06036	6.9
91.05480	27.2
93.07027	53.4
95.04970	6.1
95.08027	6.9
95.08598	100.0
97.10146	10.6
103.50134	5.0
105.07014	58.6
107.08585	85.0
109.06470	8.9
109.10146	73.7
111.11706	7.4
119.08573	66.0
121.10129	78.5
123.11707	36.1
131.08540	7.8
133.08568	4.7
133.10121	58.0
135.08025	5.9
135.11690	57.9
137.13206	9.7
145.10139	15.2
147.11690	46.5
149.13271	30.8
159.11694	17.9
161.13249	42.6
163.14778	22.7
173.13240	7.4
175.14836	13.5
177.16354	14.2
179.14253	13.3
187.14804	12.1
189.16359	32.6
191.17932	37.8
201.16354	14.7
203.17928	65.8
205.19493	18.6
207.17398	21.0
215.17947	15.1
217.19484	70.6
219.20941	6.9
225.94737	5.0
229.19336	5.7
229.28915	4.9
244.67303	4.4
245.22726	8.3
251.77156	4.7
257.22702	5.4
271.24088	8.7
285.25986	5.3
407.36838	16.2
425.11420	5.4
425.32623	6.2
425.37823	95.6
426.37851	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.93630	3.9
55.05514	27.3
57.07069	35.4
58.07396	4.7
67.05495	50.1
69.07060	60.1
70.15913	3.5
71.08619	20.3
79.05483	23.2
81.07042	80.1
83.08622	15.4
85.10177	10.1
86.10545	3.7
89.06029	18.5
90.06393	4.2
91.05473	23.7
93.07023	52.4
95.08595	100.0
97.10165	17.3
98.22681	6.5
99.08071	4.5
105.07011	45.2
107.08579	80.4
109.06526	5.8
109.10143	94.1
111.11694	8.6
113.03104	3.8
117.07038	8.7
117.11317	3.4
117.18139	3.6
119.08570	48.2
121.10129	66.7
123.11698	34.8
125.09626	6.1
131.08542	11.3
133.08598	12.3
133.10109	37.5
134.08981	4.9
135.11682	39.5
137.09532	4.5
137.13239	15.7
143.08597	7.8
145.10097	24.9
147.11670	37.2
149.13249	29.6
151.14809	4.9
157.10129	10.6
159.11694	26.4
161.13208	31.3
163.14783	20.6
171.11702	11.2
173.13281	16.5
175.14857	19.7
177.12689	4.8
177.16429	12.2
179.14360	9.2
187.14835	15.2
189.16353	17.9
191.17969	24.0
201.16371	12.3
203.17932	23.8
205.19464	6.3
205.87932	4.4
207.17528	7.4
213.16354	8.7
215.17995	14.0
217.19507	29.4
227.17848	9.1
229.19554	13.7
231.17329	4.5
231.21039	4.1
239.14818	10.3
240.15363	7.7
241.19420	5.2
243.21046	4.9
245.19049	14.5
245.22610	5.0
259.24445	4.0
285.25577	5.8
326.12985	4.6
331.20734	3.9
407.36850	24.1
408.34055	11.7
410.09781	3.8
425.12054	6.0
425.38092	55.6
426.38040	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.4
57.03430	3.9
57.70287	3.1
59.04988	13.5
64.90668	3.0
67.05492	16.7
69.03411	5.9
69.07065	32.1
71.43400	3.3
79.05488	12.7
81.07047	29.8
83.08636	6.1
85.02883	5.7
85.06551	7.5
91.05482	21.9
93.07034	17.5
95.04993	3.8
95.08601	11.7
97.02885	3.5
97.06516	10.4
99.08116	5.9
105.06998	20.8
107.08582	19.8
109.06556	8.2
109.10148	15.3
117.07040	6.8
119.08580	19.1
121.06465	7.0
121.10131	13.0
123.08044	6.6
123.11688	6.1
125.09538	4.4
127.03852	4.0
129.05440	17.5
129.06998	6.6
131.08580	10.3
132.43333	3.7
133.10120	14.2
135.08012	3.7
137.06010	6.0
141.07011	4.2
143.08569	8.7
145.06483	3.5
145.10110	18.3
147.08031	7.5
147.11670	28.1
149.09702	4.3
155.08517	7.3
157.10110	9.7
159.08015	8.0
159.11652	8.7
161.13222	3.7
163.07428	4.5
165.12749	8.5
169.10063	7.1
171.08046	6.3
171.11714	5.8
173.09618	13.4
173.13277	11.5
175.11215	9.9
183.11652	4.8
185.09544	4.4
185.13277	4.0
187.11237	5.0
189.09087	5.7
191.10649	8.1
193.12250	8.4
195.11760	3.2
197.13290	5.6
201.12723	4.6
207.11716	4.7
211.11172	6.4
211.13177	6.2
213.12740	5.3
215.14299	7.6
219.03638	4.1
221.66844	3.3
225.12871	3.6
229.14328	100.0
231.13844	7.0
247.13197	7.0
247.15491	4.5
255.50000	3.6
264.12491	3.5
265.10513	8.6
283.16913	6.3
301.17944	17.4
302.18994	6.9
329.20840	3.7
331.22787	4.3
332.21436	3.7
353.21085	4.3
371.21863	7.3
389.97675	3.3
391.14963	4.1
391.26099	7.4
408.25589	4.8
409.27170	28.7
426.17996	4.6
426.27136	14.7
427.15741	10.7
427.19327	11.9
427.28342	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06569	0.8
53.00316	0.8
53.44549	0.8
56.96547	1.7
66.23747	0.9
67.05494	2.2
69.03413	2.5
69.44884	1.9
69.45270	2.9
70.06572	2.4
78.47167	0.8
79.01850	6.5
81.03406	2.8
83.04988	1.7
95.04958	3.3
97.02886	1.8
98.97571	2.6
101.00864	6.9
107.01300	3.9
109.01427	1.0
109.02861	2.9
110.07165	1.4
111.04430	1.0
114.05531	0.9
114.38415	0.8
116.98666	1.2
119.01087	2.0
119.01917	31.7
120.02028	1.4
121.02863	3.6
125.02316	6.0
127.02415	2.9
127.03901	3.9
130.22368	0.8
131.01920	1.4
133.03442	0.9
137.02963	7.7
139.02412	1.0
139.03876	1.2
143.01799	1.7
143.03426	8.7
144.02673	0.9
145.03473	11.6
146.03627	1.1
153.01822	100.0
153.02931	7.4
154.02086	1.5
155.01904	1.1
157.03482	6.5
158.01323	1.3
160.02609	0.8
161.03017	1.5
167.01923	2.1
168.85448	0.9
169.03484	15.0
169.79405	1.0
171.01451	1.2
171.02821	1.6
171.05002	5.1
173.02959	1.3
174.98877	1.9
175.04497	1.4
175.11890	2.3
177.01128	1.0
183.01341	4.7
183.04965	1.1
185.02943	17.3
185.06482	1.2
187.04507	13.2
188.04778	0.9
188.07750	0.9
189.02524	1.3
189.06062	1.1
192.99792	5.1
194.00284	1.0
195.05035	2.8
197.02808	4.5
200.02391	1.7
201.02480	2.5
203.04019	6.1
205.05615	1.5
211.00861	53.8
211.04510	5.0
212.01054	3.8
213.06075	3.6
215.03990	4.2
218.03320	0.9
221.02965	3.3
229.01955	16.8
229.05479	8.2
230.03941	1.1
231.03531	1.9
235.00882	1.9
239.03967	4.0
247.02911	14.0
247.06793	1.8
248.03214	1.4
251.03964	2.7
253.01863	5.4
257.05115	9.7
259.04724	0.9
260.99640	1.5
261.02405	29.3
262.02585	2.6
263.04092	3.0
264.92148	0.9
267.03577	1.8
271.02890	2.1
275.03210	1.6
275.06110	23.1
276.06326	1.4
277.01926	2.0
277.05499	1.9
279.03503	10.4
281.05008	1.4
285.02191	1.4
285.04807	1.5
287.03650	1.4
287.06284	1.4
289.01587	2.0
289.04370	2.2
293.07355	2.2
295.03290	4.7
295.06192	1.2
297.04404	1.4
299.05838	1.3
301.01147	1.3
303.00595	1.9
303.03680	2.6
305.00757	1.1
307.02924	4.8
313.01526	1.2
313.04495	1.4
316.98798	3.6
319.02902	1.5
321.04529	5.5
323.02490	1.7
323.06058	2.6
325.03903	1.5
331.02878	2.9
339.05450	6.7
341.03180	1.6
341.07031	2.2
349.04019	5.5
357.06711	1.5
359.04465	3.4
367.05057	94.2
368.05386	8.8
381.06680	2.1
385.06003	20.3
385.10370	1.4
386.06256	2.8
409.06387	1.6
427.07187	41.8
428.07407	4.5
445.02261	1.5
445.08157	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	427.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
59.66661	0.8
69.03436	5.3
71.08622	1.0
79.01852	5.5
81.03412	8.8
85.02898	3.7
88.95720	0.8
93.07079	1.0
97.02878	6.8
105.07072	1.1
107.01304	1.9
109.02881	6.6
110.07082	0.9
113.02364	25.6
114.05529	3.6
121.06490	0.9
123.04375	1.5
125.02365	4.0
127.03909	7.2
135.04433	1.2
139.03862	1.7
143.03375	6.9
145.04909	1.5
150.07748	18.1
153.01822	100.0
154.02188	3.0
154.04993	1.6
171.02867	10.9
172.86725	0.8
187.11255	1.0
203.12781	1.2
221.22516	0.9
235.41771	0.8
247.13312	1.6
257.04523	1.3
259.08090	0.8
265.14246	2.4
275.05542	1.1
287.05423	1.0
295.11411	4.5
297.06046	7.4
298.05994	0.8
315.07016	2.8
427.02878	1.9
427.11444	8.0
427.16464	27.6
428.16458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
57.04555	0.6
59.04994	1.6
61.06203	0.3
62.52774	0.3
62.55385	0.3
69.03412	0.5
70.06570	0.5
77.24816	0.3
81.03438	0.5
81.96156	0.3
85.02875	0.8
85.03358	0.3
87.04493	0.3
87.34221	0.3
91.05492	0.3
94.04047	1.6
97.02882	0.7
98.97569	0.5
101.06008	0.6
105.07004	0.3
114.05555	0.3
115.03887	0.5
121.05026	0.3
123.06703	0.7
127.03899	0.5
129.05461	2.5
133.05063	0.4
135.05353	0.4
143.08604	0.5
147.04353	0.3
147.06442	0.4
150.07733	100.0
151.08167	1.7
153.01787	1.2
171.08015	0.4
185.72046	0.3
189.09047	0.4
229.12177	0.6
247.13190	0.4
249.08044	0.3
282.12067	0.9
295.11459	18.7
296.11816	0.8
427.02911	0.9
427.12006	6.0
427.18976	11.1
428.19489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97617	0.2
57.03408	0.2
57.04546	0.5
58.42707	0.2
62.15975	0.1
66.37609	0.2
67.16519	0.1
69.03419	0.3
69.43223	0.5
69.43639	0.3
70.06573	0.4
71.10080	0.2
76.15844	0.2
84.04488	0.4
85.02897	0.5
94.04047	1.7
96.05600	0.3
97.02902	0.2
109.05119	0.2
109.65789	0.2
114.05544	0.3
118.98264	0.2
119.03551	0.2
123.06648	0.9
127.03784	0.2
135.05341	0.2
137.04564	0.2
143.08446	0.2
145.04965	0.2
148.06146	0.2
150.07738	100.0
151.08214	1.4
153.01819	0.4
153.02939	0.2
157.25438	0.1
161.05998	0.2
161.09602	0.3
172.08809	0.3
173.09622	0.2
189.09058	0.3
199.07907	0.2
201.12724	0.3
203.12798	0.3
229.12218	0.6
247.13306	0.4
265.07352	0.2
282.11908	0.5
295.11469	17.5
296.11652	0.6
347.70419	0.2
360.62210	0.2
427.02704	0.5
427.11938	4.1
427.19467	0.9
428.14389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20311	1.5
55.11327	1.4
56.81711	1.4
69.38789	8.4
81.03397	2.0
81.07041	2.5
85.02879	2.2
87.61841	1.4
91.05446	3.5
100.46145	1.6
120.08060	2.5
121.02811	5.2
123.01040	1.3
153.01807	3.3
208.88034	1.5
209.46588	1.3
295.05939	3.8
325.06805	4.4
335.08612	1.6
349.06833	2.1
351.08347	3.5
379.07718	5.9
391.07886	4.3
409.08783	1.9
427.02377	4.3
427.17087	100.0
428.17511	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	427.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96854	7.5
55.70810	8.4
61.02933	8.5
69.03421	33.1
69.77847	22.1
81.03423	9.2
85.02896	46.8
91.05476	25.1
91.43246	8.1
91.53893	8.2
95.80761	8.4
97.02884	16.3
98.22745	18.1
98.23356	19.4
105.07015	39.7
114.05517	46.0
117.07021	22.0
119.08588	20.4
127.03891	13.5
128.06218	30.3
129.06996	17.9
131.08542	41.8
133.10112	35.6
137.05968	18.4
141.07004	8.9
142.07722	12.0
143.08565	89.0
145.06499	37.1
145.10107	37.8
147.08015	25.5
150.07756	27.9
153.01816	26.7
153.06979	11.9
155.08577	21.0
157.10077	10.6
159.08054	36.1
161.05966	10.5
161.09610	87.3
168.09344	12.7
171.08090	48.3
171.11716	19.0
172.08737	15.2
173.09576	44.8
173.13274	27.1
174.06743	10.2
175.07573	11.1
179.03116	10.2
183.11655	29.9
185.09566	9.5
187.11044	21.0
189.09084	62.5
199.11197	18.6
201.12729	100.0
203.12851	11.7
210.25584	9.3
211.11128	30.0
214.09775	11.8
217.12186	13.9
219.13849	23.6
229.12253	62.7
247.13260	42.8
248.75653	8.7
254.99409	9.1
266.06494	31.4
313.74039	8.0
318.21048	8.5
383.09396	18.3
427.08313	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	427.2843
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
50.45967	1.3
53.03962	1.8
53.50847	1.1
55.01856	2.4
55.05505	5.8
57.03407	1.5
59.04984	1.3
59.62976	1.2
67.05492	7.2
67.07862	1.2
67.95930	1.4
69.03422	5.0
69.07064	53.2
69.07449	2.5
69.70197	1.5
70.06573	1.2
70.37828	2.0
70.38128	1.4
71.30988	1.1
79.05489	11.0
81.03422	2.7
81.04530	2.3
81.07049	31.2
83.04961	4.3
85.02895	2.6
87.64091	1.1
91.04927	1.6
91.05465	11.4
93.07038	15.3
95.04950	5.1
95.08605	8.0
95.34683	1.2
97.06528	11.3
99.05602	2.3
99.08079	11.6
105.07021	13.1
107.04939	1.7
107.08574	13.3
107.67952	1.2
109.06520	4.2
109.10149	10.6
111.04425	1.9
111.08092	2.1
117.06996	4.6
119.04921	3.6
119.08571	11.0
120.95494	1.2
121.02887	3.9
121.06503	5.2
121.10147	6.3
123.04444	1.9
123.08082	2.7
125.09618	4.9
127.11189	2.6
128.06204	3.1
129.06976	3.6
130.07765	2.7
131.04837	1.6
131.08548	11.8
133.10146	8.8
135.08026	3.9
135.11725	2.0
137.05960	3.0
139.03857	2.3
141.06909	1.9
142.07774	1.5
143.08563	10.8
145.06470	4.0
145.10120	26.3
147.08037	9.2
147.11708	3.1
149.09610	2.9
149.13264	2.8
151.11195	1.4
155.08540	7.0
156.09309	3.1
157.05072	1.3
157.06485	2.2
157.10091	7.6
158.07198	3.8
158.10854	1.9
159.08049	6.4
159.11673	6.3
161.09605	6.7
161.13266	1.6
163.07559	1.4
163.11215	2.3
165.07027	1.4
167.06952	1.6
167.08472	1.6
168.09344	1.5
169.10085	5.4
171.08038	5.3
171.11670	5.6
173.09608	17.3
173.13226	5.7
175.07582	1.5
175.11125	2.6
179.08522	1.5
181.10123	4.4
182.10916	2.9
183.08154	1.4
183.11676	3.9
185.09619	4.4
185.13242	4.3
187.07556	1.8
187.11166	3.7
189.01736	1.6
189.09003	6.0
191.10641	15.2
193.10078	2.2
195.02859	1.7
195.08015	2.7
195.11699	6.4
197.09557	2.1
197.13216	9.3
199.11111	2.0
199.14883	1.6
199.54442	1.6
201.12579	2.4
201.16370	9.5
203.10695	2.6
207.10008	1.5
207.11740	1.6
209.09747	2.5
209.11705	4.5
209.13344	3.3
211.11128	4.4
211.14723	3.0
212.12004	1.9
212.15237	1.3
213.12714	3.7
213.16147	1.5
215.14378	1.5
217.10068	2.1
219.11644	2.2
219.17484	6.0
221.13171	4.2
223.11107	2.2
223.14792	2.5
225.12711	6.5
225.16322	1.5
227.10661	1.9
227.14268	4.5
231.13808	3.2
233.12981	1.4
235.14908	1.5
236.11938	1.5
237.12578	2.3
237.16408	2.0
239.14299	4.5
241.15871	1.2
249.14786	2.2
251.14278	2.9
253.15868	3.0
255.17448	5.6
257.15561	1.5
261.16342	1.9
265.15759	5.2
271.09564	1.4
273.11270	2.3
277.10635	2.3
281.15485	2.3
283.16928	11.5
284.17755	1.7
287.18063	1.4
291.12149	1.8
294.05072	1.6
295.05966	3.8
295.20493	2.9
297.18494	3.1
299.16495	3.9
301.17975	17.5
302.18747	8.5
305.19131	1.6
305.78101	1.3
307.05826	7.1
308.06689	2.7
313.18256	2.5
313.21573	5.1
315.19339	6.4
317.19150	2.9
319.11386	2.1
321.07520	1.7
323.23676	1.4
325.07037	4.0
325.17807	1.8
327.19467	1.9
328.20291	2.9
329.21057	3.0
331.22656	9.5
335.20227	6.7
337.07010	4.4
337.12802	1.9
339.19427	4.8
341.21024	3.0
349.06909	1.5
351.08871	1.8
353.21075	18.4
354.21661	2.3
354.31680	1.4
363.08765	2.3
371.22290	2.0
379.07953	4.4
391.07922	5.2
391.26108	6.4
394.24774	1.7
409.09048	4.7
409.27313	47.5
410.27667	4.0
412.26059	17.7
413.26471	2.0
427.03021	2.7
427.10120	10.4
427.15256	4.9
427.20203	10.1
427.28366	100.0
428.19547	2.4
428.28830	7.8
428.97409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2842
Annotation	25R-Spirost-4-ene-3,12-dione
Peak:m/z	Relative Intensity
53.79978	0.6
55.01868	1.8
55.05508	4.4
55.78567	0.5
55.84138	0.5
57.03422	2.1
57.07055	0.6
59.05005	1.0
65.03941	0.7
67.05501	8.9
67.05856	0.8
69.03397	1.1
69.07060	100.0
69.69176	2.2
70.07396	1.9
71.04984	1.6
77.03896	0.7
79.05480	6.2
81.07045	23.0
83.04968	1.2
83.08592	1.8
83.32573	0.5
85.02907	0.6
85.06541	1.1
91.05470	6.4
93.07035	11.7
95.04973	3.2
95.08595	6.6
97.06522	28.3
97.10165	2.1
98.06843	0.7
99.08086	10.5
105.04532	0.7
105.07019	11.7
107.04932	1.2
107.08582	10.4
108.08906	0.7
109.06522	4.7
109.10139	16.0
111.08075	2.7
115.05476	1.0
117.07014	3.7
119.04954	0.7
119.08554	8.6
121.06496	7.3
121.10133	6.5
123.04432	0.9
123.08054	11.0
123.11690	3.1
125.09605	6.5
127.11183	8.5
128.06201	2.7
129.06993	2.7
130.07758	1.6
131.08545	8.7
133.06477	1.8
133.10100	6.1
135.08031	3.3
135.11664	3.4
137.05975	1.8
137.09590	1.2
141.07004	2.3
141.09398	0.6
142.07802	1.2
143.08540	10.9
145.06470	2.0
145.10115	17.5
146.10490	0.8
147.08034	7.7
147.11667	5.1
149.09547	3.5
149.13248	1.2
151.11212	1.4
153.06973	0.9
154.07721	0.9
155.08560	7.4
156.09256	1.1
157.06519	1.7
157.10117	6.2
158.07234	2.7
159.08031	6.2
159.11676	6.0
161.09596	5.6
161.13205	2.9
163.11159	2.1
164.31245	0.5
165.07028	1.7
165.12729	1.4
167.08588	2.6
168.09314	1.2
169.10097	7.2
171.08023	11.0
171.11613	3.8
173.09590	24.0
173.13210	9.3
175.11142	2.9
175.14830	2.3
177.09132	1.2
177.12732	1.7
179.08527	2.2
179.14288	3.7
180.09280	1.3
181.10098	5.4
182.10886	2.2
183.08047	2.2
183.11676	6.9
184.08829	0.9
184.12300	0.6
185.09633	4.5
185.13239	4.8
187.07693	1.0
187.11198	3.7
187.14816	1.0
189.09099	10.4
189.12709	0.7
191.08867	0.5
191.10631	16.3
191.14285	0.6
192.09323	1.0
193.10052	4.6
194.10823	0.9
195.08018	1.3
195.11676	6.8
196.08748	0.7
196.12415	1.4
197.09599	3.9
197.13243	12.7
198.10385	1.3
198.70187	0.5
199.11125	6.2
199.14833	2.9
201.12688	2.7
201.16336	3.1
203.08575	0.8
203.14272	1.4
205.10120	1.8
205.12190	1.1
206.10832	1.8
207.09981	6.3
207.11923	3.9
208.12326	1.2
209.09598	2.5
209.11676	4.2
209.13336	3.5
210.10316	1.2
211.11145	4.3
211.14771	3.2
212.11896	3.3
213.12717	7.3
213.16379	1.6
215.14246	3.3
217.10176	0.8
217.12250	1.5
219.11743	1.8
219.17365	3.3
220.12373	0.7
221.09633	1.2
221.13202	6.0
222.10306	0.7
222.13792	1.0
223.11136	3.7
223.14813	2.9
224.11877	1.0
225.12723	11.1
225.16333	2.0
226.13396	0.7
227.10661	0.8
227.14255	5.8
229.12247	1.7
231.11609	1.5
231.13719	8.7
232.12483	1.0
233.13214	1.8
234.14015	1.0
235.11150	1.5
235.14771	4.4
237.12804	3.1
237.16408	3.9
238.13414	0.7
238.16858	0.8
239.14323	7.0
239.17929	1.4
240.14926	1.0
241.12195	0.8
241.15808	2.2
243.13867	1.4
243.17497	1.6
245.13206	0.7
247.12988	1.7
247.14842	3.6
248.11781	1.0
249.12575	1.2
249.14575	8.2
250.13463	1.9
251.14262	2.7
251.17952	0.8
253.15848	4.5
253.19453	2.2
255.17389	12.1
256.17731	0.7
257.15457	2.2
259.14578	1.3
261.12698	0.8
261.16437	2.0
262.13568	0.8
263.14316	2.0
263.17865	2.1
265.15851	13.5
265.19205	1.0
266.16318	1.2
267.13980	0.7
267.17401	2.0
267.21014	0.7
268.14270	0.7
269.15466	1.2
273.16293	1.4
275.17941	1.8
277.15848	4.2
277.19446	1.6
278.16348	0.9
279.17355	1.9
281.15350	4.3
281.18738	1.3
283.16888	23.0
284.17502	1.4
287.17908	0.7
289.15784	1.0
289.19431	1.7
291.17395	1.2
293.15582	1.1
293.19064	2.2
295.16919	1.8
295.20416	8.2
297.18552	1.6
299.16357	5.9
300.17072	1.1
301.17957	28.3
302.18698	3.6
303.17178	1.1
305.18933	2.1
307.16873	1.0
309.18494	1.1
311.19919	3.5
313.18219	0.9
313.21597	14.3
315.19742	1.1
317.19003	3.5
317.22385	1.3
321.18307	1.4
322.19299	1.4
323.20038	2.8
323.23508	1.0
325.18021	1.4
327.19714	1.6
328.20062	1.0
329.21100	6.4
331.22650	24.3
332.22879	1.3
333.22079	2.2
335.20016	11.1
335.23648	0.6
336.20551	1.0
339.19501	2.2
340.20352	1.0
341.21188	3.3
351.23074	2.4
353.21042	20.0
354.21765	2.8
359.22104	2.1
363.26740	1.3
366.21301	0.6
371.22104	11.0
372.22418	1.1
373.25378	3.3
385.26727	1.0
391.26242	9.6
409.27332	50.2
410.27637	4.4
412.25891	1.8
427.28387	82.0
428.28738	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	427.2843
Annotation	25R-Spirost-4-ene-3,12-dione
Peak:m/z	Relative Intensity
53.03938	1.2
55.01861	3.0
55.05505	6.3
57.03435	5.6
57.03658	1.0
57.33260	0.9
58.11524	1.0
59.04992	1.5
65.03936	1.3
67.05501	11.1
69.03414	3.1
69.07064	100.0
69.33460	2.3
69.33852	3.1
70.07402	1.2
71.05000	1.0
79.05490	15.0
81.07052	30.2
83.04962	2.1
83.08612	1.4
85.06531	3.4
91.05476	11.1
93.06512	1.6
93.07039	15.9
95.04961	5.2
95.08603	9.0
97.06525	30.0
97.10136	2.2
99.08092	13.6
103.05444	1.2
105.07022	18.8
107.04933	2.4
107.08591	12.2
109.06510	5.6
109.10152	16.2
111.08071	3.8
115.05405	2.3
117.07009	6.5
119.04916	1.8
119.08575	11.3
121.02844	1.2
121.06494	13.4
121.10117	7.9
123.04395	1.5
123.08061	6.4
123.11733	2.6
125.09609	10.5
127.11194	23.6
128.06212	7.1
129.07014	5.2
130.07762	1.8
131.08543	13.8
133.06436	2.5
133.10114	9.0
135.08057	5.8
135.11664	3.0
137.05966	1.8
137.13312	1.1
139.11151	1.3
141.06958	2.8
142.07782	2.1
143.08554	16.3
145.06496	5.6
145.10115	24.0
146.07202	1.7
147.08026	16.3
147.11722	5.6
149.05949	1.2
149.09596	4.1
149.13234	3.5
151.11162	1.6
153.06976	1.4
154.07724	1.0
155.05963	1.0
155.08525	8.6
156.09348	1.0
157.06499	1.8
157.10124	7.4
158.07263	2.8
159.08046	11.9
159.11671	8.0
161.09616	14.0
161.13229	2.6
163.07545	1.3
163.11150	2.1
165.06952	2.2
167.08566	2.9
168.09331	2.2
169.10109	6.0
171.08038	18.9
171.11678	5.7
172.08714	1.3
173.09610	23.5
173.13184	8.0
174.06680	1.3
175.11223	2.2
175.14795	2.4
177.09103	1.5
177.12752	1.4
179.08537	2.3
179.14304	2.6
180.09273	2.3
181.10089	6.6
182.10910	2.7
183.08005	2.9
183.11731	6.7
185.09662	6.7
185.13188	5.2
187.07510	1.7
187.11134	5.2
187.14854	1.6
189.07530	0.9
189.09081	22.9
189.12773	1.1
190.09352	1.2
191.10635	18.5
192.09331	1.2
193.10118	2.6
194.10793	1.7
195.08017	1.9
195.11612	7.0
196.08778	1.3
196.12354	2.5
197.09550	5.3
197.13213	10.8
198.10368	1.3
198.13956	1.2
199.11136	8.2
199.14819	3.6
201.09106	1.2
201.12720	2.7
201.16383	3.9
203.08464	1.3
203.14294	1.3
203.17896	1.5
205.10136	2.4
206.10803	1.7
207.10110	20.3
207.11679	2.0
208.10512	1.5
208.12294	1.5
209.09726	1.8
209.11652	4.3
209.13319	3.9
210.10234	1.2
211.11159	4.9
211.14755	4.1
212.11913	7.9
213.12756	8.7
213.16322	1.1
215.10834	1.1
215.14235	4.6
217.10199	1.7
217.12149	1.2
219.11720	2.2
219.17374	4.2
221.09531	1.5
221.13304	4.8
222.10342	1.3
222.13982	1.9
223.11201	4.8
223.14781	4.2
225.12733	8.3
225.16327	1.6
226.13379	2.4
227.14285	13.7
227.17752	1.0
229.12218	2.5
231.11667	1.6
231.13837	4.2
232.12387	1.5
233.13222	2.0
235.14778	3.1
237.12646	4.3
237.16354	6.6
239.14296	9.5
239.18031	1.2
240.14857	1.1
241.15836	3.4
243.13718	1.5
245.13297	1.2
247.12918	1.8
247.15065	2.1
249.14798	4.0
250.13507	2.9
251.14326	3.3
251.17812	1.3
253.15767	5.0
253.19562	2.2
255.13777	1.0
255.14397	1.1
255.17426	17.4
257.15387	2.1
259.14859	1.1
263.14224	2.4
265.16003	14.4
267.21146	1.6
275.14029	1.4
277.15781	4.1
277.19376	1.4
279.17249	1.2
281.15417	3.8
281.18781	1.4
283.16891	31.3
284.17346	3.0
287.17780	1.4
289.16135	1.5
289.19370	1.4
293.15643	1.1
293.18948	2.7
295.20508	8.4
297.18661	1.6
299.16245	6.8
301.17944	40.5
302.18811	5.2
305.15555	1.1
305.18994	3.6
311.19958	4.9
313.18518	1.0
313.21613	16.1
315.19666	1.8
317.18958	2.2
317.22147	1.1
321.18658	2.7
323.19925	3.6
325.18042	1.8
329.21033	7.3
331.22672	22.3
332.22778	1.4
333.21988	1.9
335.20026	9.5
335.23615	1.7
336.20273	1.6
339.19467	2.6
340.20200	1.5
341.20975	4.5
351.23355	1.8
353.21045	21.1
354.21677	2.1
359.22018	1.9
363.26779	1.8
371.22141	4.8
373.25253	2.9
391.26303	12.5
392.26624	1.6
409.27362	47.0
410.27618	4.4
412.25711	1.2
427.12045	8.4
427.19290	41.5
427.28345	89.7
428.19470	3.9
428.28668	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	428.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03927	0.2
55.01867	0.2
56.05023	0.2
57.03428	0.2
61.02906	0.2
62.61757	0.1
68.05016	1.0
69.03429	2.1
69.39237	0.5
70.06583	0.1
71.04988	3.7
79.01840	1.4
81.03407	0.3
82.06572	0.1
84.04501	0.8
85.02895	1.5
86.06071	0.2
90.15069	0.1
96.04478	2.0
97.02888	2.0
98.06052	0.1
98.22746	0.2
107.01330	0.3
108.04456	0.2
109.02864	0.2
110.06026	0.5
114.05520	100.0
115.05214	0.1
115.05878	1.4
125.02335	1.2
126.05494	0.3
127.03912	0.3
138.05496	0.2
143.03387	2.7
150.07762	0.2
151.08012	0.1
153.01813	45.0
153.02861	2.1
154.02171	1.1
154.04994	0.1
156.06531	2.5
162.07614	0.2
175.05992	0.1
177.05371	0.1
233.81343	0.1
240.08727	0.3
258.09738	2.5
266.06567	64.8
267.06882	2.3
276.10599	0.3
308.07629	1.5
410.10745	1.7
428.11816	2.7
429.12256	0.1
429.21109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	24.9
59.04996	6.8
59.92486	5.4
61.02914	7.2
67.05487	8.0
69.03420	23.2
70.70670	9.2
70.71001	6.2
71.05013	8.0
73.02905	6.0
75.04452	14.1
79.05516	11.0
81.03407	7.6
81.07015	7.0
83.04964	28.8
85.02901	78.9
93.03413	11.0
93.07012	10.5
95.04939	8.7
97.02881	18.6
97.06512	25.0
101.06010	8.4
109.02867	7.6
111.04451	43.1
114.05535	40.2
119.04954	72.3
121.02872	7.3
121.06483	10.2
125.05987	37.1
127.03883	16.6
129.05508	9.1
137.05957	11.2
143.07042	36.3
145.04927	19.6
149.05956	54.9
153.01802	13.7
159.06502	15.5
167.05563	9.6
167.07002	100.0
185.08072	69.4
199.09624	87.8
217.10680	78.8
249.13303	19.6
253.08508	9.1
301.10687	9.6
337.12680	6.6
359.02798	9.1
372.04810	6.5
410.41119	6.7
429.20966	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06804	0.7
53.03939	3.8
55.01871	5.1
55.05503	7.1
57.03421	3.5
57.07069	9.3
61.02926	3.4
67.05481	1.7
68.99772	1.5
69.03419	13.0
69.07056	2.9
71.01326	0.7
71.05005	2.0
73.02901	3.7
74.90348	0.7
79.05473	1.6
80.33480	0.7
81.03408	16.0
81.07059	3.7
83.04951	1.3
83.08606	3.0
85.02896	34.0
86.03248	1.0
87.00825	11.2
88.03989	0.8
89.06023	29.4
91.03934	1.7
91.05424	1.7
93.07035	2.4
95.04924	1.8
95.08569	1.9
97.02877	11.4
97.06545	1.5
97.24019	0.7
99.04456	5.3
101.09640	11.6
105.01853	9.7
105.06999	2.2
107.04961	1.0
107.07056	30.8
107.08585	2.1
108.07448	0.8
109.02874	11.4
109.06514	1.1
109.10136	1.9
117.01849	1.7
117.07017	0.9
119.08556	2.0
121.06532	1.0
121.10114	1.4
123.04460	1.0
127.03904	19.2
128.04196	0.7
129.01810	1.8
129.06973	1.1
131.08531	1.0
133.10138	1.3
137.07060	0.7
143.08513	1.0
145.04947	9.2
145.10135	1.9
145.12149	1.1
147.02849	1.0
147.08020	0.7
147.11653	1.2
152.16904	0.7
157.10078	1.1
159.02885	5.3
163.03925	0.8
163.13274	100.0
164.13661	3.2
167.49234	0.8
173.09749	0.9
175.11217	1.2
186.13611	0.8
193.12321	1.2
199.11285	0.8
205.08662	1.2
211.13193	1.3
213.03983	2.0
231.05051	3.1
250.16815	0.7
257.15216	1.0
302.18378	1.3
309.17102	1.0
410.27487	2.3
411.28796	2.0
428.28723	4.8
429.21396	8.8
429.29913	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27534	6.0
56.48911	6.1
61.36530	5.7
69.92068	21.5
73.04759	42.9
91.05796	84.6
94.59142	5.9
98.22990	17.9
114.05528	14.1
149.04512	11.2
151.55566	5.9
153.01854	14.4
167.05524	38.9
215.39529	6.4
217.54578	6.7
255.79193	6.2
267.07040	8.0
319.92145	7.4
342.99750	8.2
359.02829	71.0
410.74344	7.4
429.11667	100.0
429.20657	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	429.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.9
55.05517	11.4
57.07064	7.3
67.05495	19.5
67.43686	4.3
69.03445	5.7
69.07061	32.2
70.07262	9.9
70.07632	9.1
71.04989	5.7
73.04755	6.9
74.04792	5.4
79.05482	15.0
81.07056	51.5
83.08630	11.6
85.06532	7.9
88.12396	4.7
91.05477	18.2
93.07033	35.5
95.04951	8.2
95.08598	41.0
97.06510	14.4
98.23086	11.6
99.08033	5.1
105.07025	27.3
107.08579	34.0
109.06528	5.9
109.10152	45.5
111.08089	8.4
117.07007	5.8
119.08591	24.9
121.06498	10.2
121.10128	15.5
123.08045	7.0
123.11654	9.7
125.09627	11.7
126.54554	4.7
127.11203	8.6
129.07005	5.7
131.08572	19.1
133.10133	17.4
135.08055	8.6
135.11697	15.5
137.05981	7.2
142.07767	7.3
143.08546	20.5
145.06438	6.9
145.10109	31.8
147.08025	13.0
147.11685	18.0
149.09642	5.6
149.13193	5.9
155.08568	9.9
157.10109	15.3
159.08092	8.5
159.11650	15.1
161.09644	8.0
161.13280	10.4
163.11118	6.5
169.10139	7.8
171.11685	10.4
173.09593	25.5
173.13237	15.3
175.07588	5.0
175.11147	12.5
179.08597	5.5
179.14243	4.8
185.09583	5.2
185.13203	11.1
187.11192	6.5
191.10577	6.3
195.11633	6.9
197.13261	12.7
199.11194	8.1
199.14758	12.8
201.12813	12.6
209.13292	7.3
211.11169	5.0
211.14861	5.9
213.12714	6.6
215.14314	12.1
223.14899	5.3
227.14407	6.3
233.15384	12.9
234.99796	5.9
239.18178	6.1
241.15939	6.4
243.13478	5.5
255.17154	6.8
259.16864	6.4
267.17383	8.8
268.18100	4.8
283.16864	5.1
285.18497	44.1
286.19202	13.9
301.18066	8.7
313.21591	7.2
337.21777	6.8
355.22495	8.3
359.02646	8.1
375.26657	7.4
385.17972	10.7
393.27777	32.3
411.28876	81.7
429.16785	23.4
429.29892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77343	0.7
55.46151	0.7
56.84311	0.7
56.96564	2.1
57.02513	0.7
61.92257	0.7
63.00090	0.7
70.25291	1.5
73.04759	5.8
75.62243	0.8
77.35193	0.8
88.03992	1.8
91.05803	11.6
98.97617	2.2
114.05553	1.6
116.98632	1.0
136.06200	1.6
149.04510	1.8
153.01857	1.9
167.05557	4.7
219.01826	0.8
237.02991	2.0
243.01678	0.8
262.19888	0.8
262.73077	0.8
264.96240	0.9
267.07114	0.8
290.77692	0.8
340.12860	0.8
342.99777	1.6
359.02780	7.4
360.03217	1.7
360.43982	0.9
369.05231	1.2
429.13907	100.0
430.14221	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	429.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.2
61.66958	2.7
69.03432	8.3
70.06594	5.0
73.04755	6.2
79.05477	4.6
81.03417	5.7
85.02890	16.8
90.04696	3.6
91.05814	7.4
97.02901	6.2
103.05470	12.2
105.07027	47.1
109.02876	4.3
115.05423	6.8
118.04182	8.3
127.03902	5.1
131.04988	5.8
132.05719	6.5
133.06480	37.9
137.05995	3.8
146.03609	28.8
153.01828	15.2
161.05975	84.8
163.03923	6.6
163.07596	4.8
178.06241	100.0
179.06624	3.4
191.07002	7.4
193.08586	93.1
211.09538	4.2
222.90720	3.3
225.77052	3.6
309.88812	3.1
359.02783	10.7
411.19781	7.0
429.21231	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1883
Annotation	Trp Ser His
Peak:m/z	Relative Intensity
53.01500	2.8
54.07298	3.0
69.91218	7.0
69.91586	7.1
72.38955	3.5
77.99850	3.0
86.19104	3.2
89.20670	3.0
91.05833	3.4
97.65971	3.3
105.07053	4.6
115.70743	3.1
119.08496	3.6
127.03893	5.0
153.01813	5.5
154.04921	5.1
160.14566	3.2
160.77396	3.4
168.70517	3.1
267.12683	4.3
285.13751	4.9
285.65356	3.7
309.13684	4.4
411.19598	4.1
429.18927	100.0
430.19809	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	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	1.2
73.04758	1.1
76.76877	0.3
81.03417	1.1
85.02887	0.5
91.05796	3.8
98.04285	0.3
109.02892	0.8
114.05521	1.5
115.05936	0.4
116.07082	0.8
127.03920	0.6
143.03381	0.5
150.07791	0.3
153.01833	6.8
153.03041	0.6
154.02197	0.5
160.49036	0.4
167.05539	2.1
171.02881	0.9
181.04953	1.9
185.04213	0.4
192.03966	0.5
203.05322	1.3
242.28061	0.4
297.06216	0.7
328.66614	0.4
359.02789	2.5
429.21027	100.0
430.21457	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04608	0.3
67.05475	0.3
69.34325	1.5
73.04787	0.5
75.31888	0.3
85.02873	0.7
86.12313	0.3
91.05849	0.7
97.02886	0.5
105.07027	0.4
119.08476	0.4
127.03918	0.6
135.08076	0.4
135.23091	0.3
145.05005	0.4
153.01822	0.8
195.18991	0.3
203.05373	2.1
249.14647	0.5
261.38449	0.4
267.15533	0.3
320.22577	0.4
359.02930	0.5
411.19849	20.7
412.20145	1.2
429.20956	100.0
430.15491	0.7
430.21198	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73492	0.3
59.04979	0.7
69.03420	0.9
70.06586	0.9
70.54988	0.4
71.04997	0.8
71.30071	0.3
73.04758	0.5
85.02920	1.1
91.05824	1.5
95.04988	0.4
96.27647	0.3
97.02898	0.8
105.07006	0.5
114.05522	16.3
115.05141	0.4
115.05867	5.2
117.07021	0.5
119.08560	0.3
121.93607	0.3
123.98115	0.3
125.02370	0.4
127.03930	0.4
129.05505	0.7
129.07008	0.4
131.08562	0.5
133.10121	0.3
135.08058	0.4
143.03400	0.6
143.08553	0.7
145.10143	1.0
147.08081	0.4
150.07851	0.3
153.01819	6.7
153.02948	0.4
154.02155	3.2
156.06514	0.4
157.10092	0.8
159.11827	0.4
161.09608	0.4
167.05501	0.7
173.09619	0.8
173.13138	0.4
175.11171	0.4
181.71748	0.4
185.13220	0.4
191.10655	0.7
201.12627	0.4
203.03596	0.5
203.05226	2.3
203.14278	0.5
209.11761	1.0
213.12704	0.5
231.13812	0.9
249.14859	3.3
249.84158	0.3
258.09756	0.4
266.06549	5.4
267.06921	10.5
267.15952	1.0
268.07169	0.8
303.41580	0.3
359.02805	1.1
371.16483	1.7
385.14661	1.0
394.28534	0.3
411.11099	0.4
429.20972	100.0
430.21365	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	429.3
Annotation	Chabrolohydroxybenzoquinone F
Peak:m/z	Relative Intensity
50.41137	2.6
51.00681	2.2
53.03938	4.5
55.01870	8.2
55.05511	20.8
57.03429	4.9
57.07080	4.8
59.05005	3.2
61.02919	4.5
67.05502	39.4
69.03424	16.2
69.07066	44.9
70.71423	5.1
71.04993	8.3
71.08605	3.4
73.04732	3.2
79.05485	25.7
81.03427	14.8
81.07047	66.6
81.07507	5.2
83.04977	6.6
83.08613	9.1
85.02898	38.1
85.06542	3.4
87.00815	13.1
88.78634	2.4
91.05451	30.3
93.07033	66.9
95.04940	13.1
95.08597	57.1
97.02856	13.9
97.06539	11.7
97.10163	3.4
99.04468	9.3
99.08087	5.1
105.01875	6.6
105.07026	56.5
107.04973	5.4
107.08582	51.6
107.59570	3.0
108.04491	4.0
109.02885	15.2
109.06511	18.5
109.10146	83.9
110.10471	3.1
111.08086	9.3
111.11707	3.1
115.05458	3.5
117.07030	10.2
119.04961	3.2
119.08563	35.8
121.06520	15.3
121.10147	33.1
123.08070	14.9
123.11693	9.0
125.09613	5.7
127.03909	28.8
128.06256	4.9
129.01816	3.1
129.07005	12.1
130.07637	3.9
131.08575	29.2
133.06470	5.7
133.10103	23.9
135.08043	5.1
135.11690	17.9
137.05971	7.7
137.09651	6.6
137.13286	3.7
141.06998	6.5
142.07816	4.0
143.08546	20.3
145.04991	11.3
145.06529	6.8
145.10107	33.1
146.07191	2.8
147.08067	11.1
147.11674	16.5
149.09641	8.2
149.13271	9.7
150.09177	7.0
151.14774	3.1
153.12791	2.8
155.08517	14.5
156.09372	2.9
157.06599	2.6
157.10126	21.2
159.02954	9.7
159.08060	9.7
159.11658	25.1
161.09639	12.0
161.13257	24.5
163.11166	7.7
163.14812	5.8
165.12682	4.2
167.07024	6.5
167.08496	5.4
169.10143	9.7
171.08081	10.1
171.11728	12.6
173.09586	28.4
173.13280	13.3
175.07675	3.9
175.09779	2.5
175.11235	12.0
175.14833	3.4
177.12688	3.4
177.16515	3.0
179.14282	20.7
181.10193	5.4
183.11682	9.2
185.09686	7.0
185.13252	15.2
187.11121	14.7
187.14828	8.4
189.09158	4.6
189.12773	4.5
191.10693	9.7
193.10185	3.9
195.11734	9.6
195.13762	3.6
197.13307	7.9
199.11238	9.7
199.14859	9.8
201.12756	8.0
201.16357	3.6
203.10675	4.0
203.14110	2.9
205.15779	3.0
207.11713	3.8
209.13344	4.8
211.11279	4.0
211.14841	5.3
213.12801	12.4
213.16425	4.3
215.14313	21.3
215.17928	4.6
217.15916	4.0
221.13321	3.5
223.14902	6.3
225.12784	6.3
227.14290	8.1
228.94992	3.1
231.05080	6.5
231.13718	21.3
233.15361	17.4
237.16342	4.8
239.14366	3.3
239.18134	4.8
241.15933	4.3
243.13960	4.3
249.14700	7.0
253.15747	3.9
253.19577	4.1
255.17343	4.5
261.14859	6.4
263.17953	2.8
267.17407	6.6
279.15839	15.3
283.16971	6.3
285.18585	8.4
295.07083	3.8
301.17999	9.9
311.20197	4.0
329.21240	3.9
337.21518	5.5
347.27054	2.8
355.22714	12.1
373.23984	3.4
375.26886	5.7
390.19293	3.1
393.27826	22.2
399.29187	3.3
411.28851	69.5
412.29636	3.6
414.27383	3.6
429.11563	5.2
429.21042	4.9
429.30035	100.0
430.30264	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	429.2999
Annotation	Chabrolohydroxybenzoquinone F
Peak:m/z	Relative Intensity
55.01865	2.1
55.05500	11.9
56.67931	1.3
57.07064	2.8
60.83139	1.0
65.03935	1.8
67.05495	26.6
69.03410	2.4
69.07059	36.6
69.32523	5.1
71.04977	1.7
73.91193	1.2
77.03922	1.7
79.05488	16.4
81.03403	1.9
81.07048	32.3
83.04951	2.9
83.08620	8.5
85.06517	1.9
85.87610	1.1
91.05465	17.7
93.07030	36.2
95.04964	7.0
95.08597	31.1
96.61289	1.1
97.06522	4.4
97.10126	2.0
99.08053	1.8
105.07018	35.3
107.04949	3.1
107.08583	34.9
107.09129	1.0
109.06499	8.0
109.10143	57.8
110.10515	1.4
111.08057	7.0
111.11700	1.9
115.05408	1.4
117.07001	7.9
119.04905	1.2
119.08565	27.6
119.67621	1.1
121.06476	6.7
121.10131	21.9
123.08031	7.6
123.11692	4.9
125.09607	2.7
127.11166	2.7
128.06213	4.1
129.06987	5.9
129.43221	1.2
130.07820	2.1
131.08553	15.5
133.06474	3.1
133.10126	14.0
135.08057	5.0
135.11667	10.2
137.05980	3.5
137.09596	1.8
137.13225	2.1
141.07002	3.2
142.07761	2.6
143.08545	14.0
144.09418	1.9
145.06482	2.7
145.10106	21.3
147.08014	8.6
147.11670	12.9
149.09607	3.1
149.13257	6.6
151.07564	1.3
151.11099	1.3
153.07021	1.2
153.18217	1.5
155.08539	9.0
156.09273	1.4
157.06512	2.0
157.10106	15.5
158.07243	2.6
159.08064	8.2
159.11668	14.4
160.48013	1.0
161.09604	8.2
161.13232	22.0
161.14496	1.5
163.11186	2.5
163.14809	3.2
165.12671	1.2
167.08536	2.6
167.14198	1.4
169.10109	6.9
170.10847	1.3
171.07977	6.6
171.11656	6.1
172.12595	1.1
173.09581	22.3
173.13228	10.4
174.10089	1.2
175.11119	5.8
175.14807	2.1
177.12756	1.6
177.16374	5.9
179.08527	1.6
179.14285	15.4
181.10159	5.6
181.15825	1.3
182.10962	1.7
183.08005	1.3
183.11700	6.6
185.09604	5.0
185.13217	7.9
187.11211	9.6
187.14796	4.0
189.09123	6.0
189.12691	1.4
189.16446	3.2
191.10629	9.5
193.10103	3.3
194.10803	1.3
195.11725	6.5
196.08769	1.6
196.12396	1.2
197.09695	2.4
197.13190	6.7
199.11198	8.6
199.14807	6.3
201.12733	4.7
201.16364	3.2
203.10674	3.5
203.17960	2.6
205.10188	1.7
205.12219	1.8
205.15944	1.4
206.10910	1.6
207.09972	1.3
207.11707	3.6
209.09628	2.0
209.11568	2.4
209.13301	4.7
211.11137	4.5
211.14832	4.5
213.12694	9.4
213.16293	1.6
215.14290	14.2
215.17915	2.1
217.12177	2.1
219.11783	1.3
221.13196	3.3
223.11287	2.6
223.14804	3.0
224.11957	1.3
225.12698	6.9
225.16170	1.4
227.14287	4.3
229.12085	1.3
231.13705	9.2
233.15318	13.6
237.12717	2.2
237.16400	2.7
239.14314	5.3
241.12230	1.7
241.15868	1.4
243.13802	3.3
245.15436	2.0
249.12666	2.0
249.14610	6.1
251.16406	2.5
253.15810	2.8
255.20987	2.2
257.15491	2.9
261.14954	4.5
265.15829	3.0
267.17288	1.8
279.15613	7.1
281.19019	1.6
283.16913	12.1
283.20416	3.2
285.18582	2.4
287.16473	2.0
291.21194	1.4
293.18954	1.4
299.16418	1.9
301.17944	58.6
302.18481	3.4
309.18549	1.5
311.20023	3.0
315.19513	2.3
319.20496	2.7
327.19614	2.6
329.21085	3.1
337.21710	7.5
341.21051	3.9
355.22583	18.8
357.25772	1.7
375.26730	3.8
381.24295	1.8
393.27786	18.3
396.26746	1.9
411.28882	65.3
412.29395	5.3
414.27722	5.8
429.29953	100.0
430.30408	10.3
433.59338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2996
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
53.03932	2.3
55.01857	2.6
55.05514	7.0
67.05497	10.6
69.03423	3.1
69.07059	89.4
69.28705	7.7
71.04986	1.9
73.04718	2.2
74.11794	1.5
79.05478	13.4
81.03381	2.0
81.07050	40.3
83.08614	1.7
85.02892	2.9
85.06545	1.6
91.05400	9.5
93.07034	18.0
95.04951	6.5
95.08598	16.2
97.06520	58.0
97.10150	3.7
98.22685	2.7
99.08078	32.3
105.07020	20.6
107.08590	10.8
109.06490	4.7
109.10148	9.7
111.08073	3.1
116.36938	1.5
117.07020	3.5
119.08582	12.9
121.06489	5.1
121.10117	11.7
123.08097	2.3
123.11696	3.6
125.09640	5.4
127.11153	3.6
128.06120	1.7
129.07004	4.2
131.08551	15.2
133.06506	1.5
133.10104	15.7
135.08034	3.1
135.11673	4.9
137.09589	3.6
139.07529	1.5
141.06989	2.4
142.07729	3.0
143.08546	9.8
145.06471	5.1
145.10107	19.3
146.07156	1.5
147.08029	3.3
147.11630	7.3
149.09558	2.5
149.13240	4.6
155.08516	5.4
156.09344	1.7
157.10091	9.9
159.08080	4.2
159.11668	15.6
161.09612	3.0
161.13232	10.9
163.07466	1.9
163.14792	2.5
167.05647	2.3
167.08543	2.5
169.10130	5.0
171.08145	1.9
171.11629	5.9
173.09627	6.7
173.13200	4.5
175.11171	4.4
175.14775	2.8
181.10164	2.0
183.11671	4.0
185.09679	1.9
185.13240	8.0
187.11169	2.0
187.14828	5.5
189.09071	2.7
189.16364	2.2
191.10703	1.6
193.10187	1.5
195.11639	4.9
197.13260	6.3
199.11147	3.7
199.14867	2.9
201.12624	2.2
201.16350	2.7
205.15930	2.6
207.11636	3.8
208.12314	1.5
209.13264	3.3
211.11192	1.7
211.14809	1.7
213.12651	2.3
213.16231	2.2
215.14339	3.5
221.13132	3.0
221.15244	1.6
223.14839	4.2
225.16331	4.1
227.14290	2.1
231.13705	1.6
239.17944	6.0
241.15834	9.2
241.19438	1.9
243.13585	1.8
243.17331	1.6
249.16455	2.8
253.19661	1.8
255.21120	2.0
257.18918	2.8
267.17566	13.2
269.18851	3.0
279.21014	6.5
285.18454	22.3
293.18881	2.3
295.20645	1.7
297.22192	10.8
303.19528	10.6
313.21490	2.1
315.23074	10.9
337.21494	4.3
355.22577	5.4
359.02145	2.0
367.26254	6.6
375.26764	5.3
393.27789	21.1
411.28854	49.4
412.29156	3.9
429.20789	3.0
429.29938	100.0
430.30383	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	429.2999
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
51.44031	0.7
53.03940	1.0
55.01866	1.3
55.05505	7.3
55.06416	0.8
57.07051	1.0
59.05001	1.1
65.03928	1.4
67.05499	11.8
69.03419	1.5
69.07060	22.2
69.30271	2.3
69.30659	1.6
71.04974	1.1
79.05482	7.7
81.07050	22.2
83.04975	1.4
83.08604	2.7
85.50089	0.7
91.05464	11.2
93.07038	14.2
95.04957	3.6
95.08598	24.7
97.06510	3.2
97.10136	1.6
98.22676	1.7
99.08073	1.7
102.38683	0.8
105.04545	1.1
105.07018	17.4
107.04958	2.2
107.08584	19.3
109.06506	5.0
109.10152	24.7
110.10491	0.9
111.08070	2.2
111.11721	1.4
113.71092	0.8
117.07019	4.6
119.04938	1.4
119.08572	15.9
121.06489	5.9
121.10154	6.1
123.04414	1.7
123.08074	1.9
123.11709	3.8
125.09624	0.8
127.11178	4.3
128.06190	1.5
129.06964	4.6
130.07748	1.5
131.08556	13.3
133.06464	2.0
133.10095	8.3
135.08047	2.7
135.11639	4.1
137.05981	3.1
137.09540	1.3
137.13271	1.6
139.07622	0.9
139.11160	1.2
141.06982	2.1
142.07788	3.3
143.08557	11.9
145.06503	2.2
145.10106	18.2
147.08018	7.1
147.11688	7.5
148.96565	0.8
149.09616	2.1
149.13269	1.4
151.07532	1.1
151.14873	1.2
154.07707	1.1
155.07358	1.1
155.08516	5.7
156.09335	2.1
157.06483	1.6
157.10114	12.3
158.07297	1.0
159.08058	4.5
159.11673	9.0
160.12311	1.3
161.09618	5.8
161.13266	3.7
163.11198	1.1
163.14853	1.4
164.50616	0.9
165.06973	1.9
167.08594	2.2
168.09352	1.9
169.10100	6.4
170.07306	1.4
171.08078	3.9
171.11656	6.0
172.08751	1.1
173.09618	9.8
173.13251	4.7
175.11166	2.9
175.14777	1.5
177.09070	1.3
179.08566	2.5
179.14372	0.8
180.09384	1.2
181.10065	4.3
182.10884	1.0
183.08025	1.1
183.11679	4.5
184.08914	0.9
184.12401	0.9
185.09622	4.2
185.13219	5.7
187.11191	4.6
187.14796	2.7
189.09132	6.8
189.16356	3.6
191.08844	1.2
191.10670	4.0
193.10184	2.1
195.11717	4.4
196.12488	1.3
197.09621	3.2
197.13263	4.6
198.10463	1.1
199.11096	6.2
199.14815	8.6
201.12762	3.0
201.16373	2.3
203.10704	1.4
203.14471	0.9
203.17960	1.4
206.10861	0.9
207.08263	1.2
207.10017	1.8
207.11694	2.7
209.09650	2.1
209.11497	1.0
209.13313	5.3
210.14133	1.1
211.11238	3.2
211.14792	3.1
213.12721	4.2
213.16425	1.1
215.10634	1.0
215.14281	2.3
217.12302	0.8
219.11729	1.9
221.13266	3.5
222.13881	1.0
223.11189	2.2
223.14827	2.3
224.11916	1.3
225.12677	6.0
225.16232	1.3
227.14307	3.5
229.12219	2.1
229.15738	1.2
231.13847	3.3
232.12282	1.0
233.13287	1.0
235.11218	1.1
235.14854	2.3
237.12920	1.9
237.16409	2.4
239.14360	5.8
239.17996	1.2
241.15807	1.3
243.13826	2.3
247.15010	1.2
249.12700	1.5
249.14883	2.5
250.13564	1.8
251.14357	2.2
251.17953	1.9
253.15938	2.2
255.17448	1.5
255.21011	2.3
257.15338	3.2
259.14758	1.1
261.14590	4.3
263.14160	1.9
265.15833	4.2
265.19363	0.8
267.17514	2.0
269.15509	1.2
273.14755	1.2
275.16638	0.9
279.15781	18.8
281.18951	2.5
283.16910	9.8
283.20178	1.2
285.18436	3.5
285.21371	0.9
287.16388	2.0
291.21127	2.0
293.18900	1.6
295.16711	1.1
297.18564	1.4
299.16425	2.6
300.16953	1.3
301.17932	50.6
302.18481	3.3
309.18576	2.0
309.22058	1.0
311.20029	2.4
313.17938	1.7
315.19641	1.5
319.20435	2.0
323.20190	1.2
327.19644	2.0
328.20230	2.0
329.21091	3.3
335.23642	2.2
337.21600	7.3
337.25079	1.3
341.21057	4.7
342.21832	1.1
343.22540	1.4
353.20978	1.5
355.22647	21.3
356.23108	1.3
375.26904	2.3
393.27780	10.0
396.26639	4.2
411.28894	49.1
412.29306	3.9
414.27582	10.1
429.20554	3.8
429.29959	100.0
430.30258	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2995
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
53.03941	1.6
55.05500	12.4
57.03408	1.4
57.07060	2.5
59.04997	2.4
64.04234	1.5
65.03930	2.6
67.05493	28.2
69.03420	2.6
69.07061	42.5
69.31585	8.6
69.61930	1.6
71.04966	2.7
74.75554	1.7
79.05485	15.2
81.07044	43.4
83.04980	3.3
83.08601	4.3
85.02903	1.6
85.06546	1.6
91.05463	16.1
93.07032	29.4
95.04960	5.9
95.08596	55.0
95.09212	2.6
96.08926	1.6
97.02838	2.0
97.06517	5.8
99.08107	3.2
105.03382	1.8
105.07018	23.5
107.04932	4.4
107.08578	28.0
109.06514	6.3
109.10134	54.1
110.10464	1.7
111.08072	6.2
111.11694	2.9
117.07000	5.7
118.45434	1.7
119.04872	1.8
119.08578	23.8
121.06483	8.9
121.10115	16.2
123.08070	8.3
123.11704	6.7
125.09669	2.0
127.11181	5.1
128.06192	3.5
129.07004	4.3
129.78609	1.6
131.08539	17.0
133.06528	1.9
133.10112	14.3
135.08028	4.8
135.11694	10.0
137.05945	2.6
137.13254	3.6
141.06944	2.7
142.07784	1.7
143.08536	11.8
145.06412	1.6
145.10092	15.7
147.08040	9.3
147.11710	8.0
149.09610	4.2
149.13243	4.6
151.11150	2.0
151.14827	2.7
153.09074	1.6
155.08536	7.4
157.06523	2.2
157.10114	12.5
159.08022	7.3
159.11623	11.0
161.09575	8.0
161.13243	14.0
163.11211	3.0
163.14818	4.0
165.07007	2.2
165.12738	1.8
167.08461	3.0
169.10126	9.4
171.08080	8.0
171.11699	6.3
173.09587	19.1
173.13254	5.4
175.11163	8.9
175.14754	2.8
177.09119	2.0
177.16383	3.8
179.08560	3.0
179.14241	11.2
181.10091	4.7
183.11668	7.0
184.08670	1.7
185.09628	3.6
185.13283	7.1
187.11188	8.9
187.14740	2.9
189.08975	3.4
189.12726	2.3
189.16328	2.6
191.10638	6.8
193.10162	1.8
195.11707	4.6
197.09618	2.8
197.13237	6.2
199.11153	10.1
199.14838	5.4
201.12578	7.7
201.16351	3.2
203.18021	1.7
205.12102	2.5
207.17413	1.8
209.09705	2.2
209.13252	4.5
210.10428	2.0
211.11218	1.9
211.14774	4.0
213.12691	8.8
215.10558	2.2
215.14287	11.3
217.12285	2.0
221.13214	3.6
223.14890	2.6
225.12747	3.9
227.14227	4.3
229.12288	2.3
231.13776	11.4
231.17392	1.6
233.15329	10.0
235.14745	2.3
239.14235	9.7
241.12173	2.6
241.16107	2.8
243.13754	3.5
245.15373	2.9
249.14662	2.1
253.15858	3.4
255.13857	1.9
255.21027	1.9
257.15231	3.6
259.16803	1.9
261.14798	15.0
263.17850	1.9
265.15933	3.6
267.17368	3.7
269.15378	1.5
271.16864	3.5
275.16345	2.7
279.15851	60.4
280.16382	2.3
283.16965	6.8
285.18494	13.1
287.16513	1.7
290.61978	1.7
301.17941	25.4
303.19699	1.6
305.17468	2.0
307.20505	2.0
319.20535	2.2
325.21368	2.0
329.21158	3.2
337.21613	4.6
355.22516	8.4
373.23450	2.3
375.26691	4.7
393.27765	14.2
411.28909	48.2
412.29178	3.0
429.29929	100.0
430.30405	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	429.3
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
53.03923	1.2
55.01867	2.6
55.05512	7.3
57.03433	1.0
57.07076	1.7
67.05499	18.8
69.03416	2.7
69.07059	25.5
70.79384	1.3
71.04989	4.8
79.05489	13.3
80.05810	0.9
81.03419	2.6
81.07051	33.4
83.04959	3.4
83.08611	3.6
85.02901	3.4
85.06544	1.5
85.32141	0.8
87.00832	1.3
91.05466	15.3
91.05980	1.2
93.07036	26.3
95.04958	4.7
95.08596	29.5
96.08929	1.0
97.02892	1.6
97.06511	9.8
97.10141	1.0
99.04443	1.7
99.08087	5.1
100.08405	0.9
105.03381	1.0
105.07021	24.0
106.07343	1.1
107.04945	4.1
107.08582	22.4
109.06496	9.0
109.10146	28.2
110.10467	1.1
111.08070	3.8
115.05441	2.1
116.06252	0.8
117.07001	5.6
119.08563	19.2
119.09404	1.1
120.08935	0.8
121.06495	16.3
121.10133	13.8
123.08055	9.4
123.11684	3.7
125.09583	2.3
127.03928	1.4
127.11191	3.4
128.06215	1.4
129.06970	6.2
131.08563	15.8
133.06468	2.8
133.10109	11.1
135.08061	6.3
135.11688	9.6
137.05992	2.4
137.09607	3.2
139.07568	1.4
141.06990	2.4
141.09090	1.3
142.07762	1.7
143.08545	9.2
144.09285	2.1
145.06459	3.8
145.10109	20.2
147.08041	6.5
147.11676	11.9
149.09604	3.6
149.13268	5.2
151.11220	1.1
151.13684	0.8
153.06912	1.0
154.07741	1.0
155.08524	7.8
157.10124	11.1
158.07230	2.1
159.08041	10.8
159.11678	14.9
160.08749	2.7
161.09567	7.8
161.13217	11.8
163.11185	5.9
163.14780	1.3
167.07053	1.2
167.08540	1.0
168.09123	1.0
169.10121	4.5
171.08076	2.1
171.11659	5.9
173.09612	37.8
173.11113	1.9
173.13240	5.5
175.11169	81.1
175.14514	1.6
176.11551	3.0
177.09065	1.7
177.12729	11.3
179.08595	1.2
179.14290	43.4
180.14612	1.1
181.10126	2.4
182.10907	1.7
183.11726	4.8
185.09650	3.8
185.13264	5.9
187.11162	6.2
187.14809	16.1
189.09140	2.2
189.12654	2.1
191.10637	11.1
194.10934	1.1
195.11703	4.7
195.13670	1.3
197.09644	1.5
197.13264	7.1
198.13768	1.0
199.11160	4.2
199.14819	4.5
200.11916	1.1
201.12756	4.1
201.16391	1.9
205.15894	4.2
207.11835	1.3
209.13327	2.3
211.11174	1.7
211.14832	2.9
213.12756	4.0
213.16476	1.1
215.14299	40.8
216.14656	2.5
217.15825	2.5
221.13289	2.7
223.11226	1.4
223.14819	2.7
225.12749	2.8
225.16396	1.3
227.14337	3.2
229.12245	1.1
229.15921	1.2
231.13817	2.4
233.15341	63.3
234.15746	2.2
235.14871	1.3
235.16855	5.2
237.16383	3.6
239.14360	2.3
239.17914	1.9
241.15938	3.7
243.13824	1.0
245.15308	1.4
247.16885	1.4
249.16556	2.0
250.13451	1.0
251.16370	35.4
252.16835	1.0
253.15891	2.5
255.17415	1.9
257.15372	1.2
259.17001	1.2
265.15872	1.8
267.17386	3.4
269.15317	1.0
271.16959	1.4
273.14880	1.1
275.17984	1.3
281.18988	1.5
283.17004	4.2
285.18457	6.1
286.19131	1.8
295.20508	2.0
297.18268	1.3
301.17914	12.1
302.18561	2.0
303.19171	2.2
307.20639	1.8
309.22229	1.6
311.20135	1.0
313.21600	3.1
315.23257	2.5
323.20004	1.2
325.21744	1.8
327.23248	1.4
331.22684	1.8
332.32864	1.1
337.21585	2.7
341.21140	4.1
343.22482	1.0
353.24915	0.9
355.22589	5.3
365.28528	2.5
375.26773	3.8
383.29315	5.7
385.18076	1.3
393.27783	11.8
394.28055	1.1
411.28909	43.2
412.29227	3.2
429.16821	5.7
429.29932	100.0
430.30234	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05507	2.5
57.07070	13.6
62.21587	1.2
67.05510	3.4
67.27837	1.1
69.07048	2.5
69.19323	6.8
70.21920	1.2
71.08619	11.6
79.05483	1.8
80.01873	1.1
81.07043	5.3
83.08611	2.9
85.10155	6.3
91.05465	1.3
93.07029	2.6
95.08585	5.9
97.10167	2.5
105.07006	1.6
107.08575	4.4
109.10152	5.3
111.04440	1.6
111.61383	1.2
117.06944	1.5
119.08555	3.4
121.10153	2.4
123.11703	2.3
131.08540	1.8
134.54425	1.3
135.08025	3.8
135.11702	1.5
137.09598	7.1
139.07512	1.7
145.10080	1.3
149.09586	9.9
151.07509	2.4
159.11665	2.0
162.06732	1.5
163.11147	17.9
164.08292	3.5
165.09094	100.0
166.09416	2.7
173.09578	1.8
173.13254	2.3
175.11185	5.1
177.09094	10.9
177.12717	2.5
178.09340	1.1
179.10706	1.8
187.11142	3.4
189.12740	2.9
191.10646	9.6
201.12811	4.4
203.14253	1.5
205.12245	13.5
219.13768	6.1
232.03354	1.2
233.15283	2.3
243.02011	1.1
275.20007	1.8
294.03137	1.2
303.23276	2.0
359.29358	1.3
394.95206	1.3
401.34067	4.0
411.36108	2.4
429.37195	40.2
430.37881	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	430.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01863	10.4
55.05500	1.7
57.03428	8.3
61.02915	6.1
67.05492	5.1
67.42541	1.0
68.99780	4.6
69.03060	2.2
69.03419	33.2
69.07059	5.9
69.40269	4.1
71.04984	4.0
71.11430	1.0
71.56627	1.1
73.02908	8.4
79.05478	3.4
81.03404	37.6
81.07053	9.2
83.01299	1.0
83.05006	1.1
85.02892	100.0
86.03224	1.3
86.33086	1.1
87.00819	35.7
87.04461	2.1
91.03922	1.8
91.05467	3.8
93.07030	8.7
94.07366	1.2
95.04986	1.1
95.08608	7.9
97.02880	37.6
97.06524	1.5
98.06037	1.7
99.04440	18.1
99.08093	1.1
105.01855	34.4
105.07035	7.2
107.04934	1.9
107.08588	6.5
108.04459	9.3
109.02865	38.4
109.06552	1.3
109.10145	12.8
110.10520	2.3
111.08093	1.2
115.03889	1.2
117.01869	5.3
117.07011	2.1
119.08566	4.7
121.06486	2.3
121.10138	4.4
123.08024	2.6
124.05215	1.5
126.05508	5.5
127.03896	78.3
129.01823	3.1
129.06976	1.5
131.08612	2.7
133.10153	2.6
135.08096	1.1
137.05962	4.3
141.83844	0.9
143.08548	3.1
145.04941	45.9
145.10092	3.5
147.02832	5.0
147.08041	2.7
147.11626	1.9
149.13255	2.6
154.71837	1.0
155.08456	1.8
157.10152	3.1
159.02870	28.3
159.07996	1.2
159.11693	3.1
161.09584	2.6
161.13260	5.3
162.13574	1.5
163.14804	1.1
165.09087	1.6
171.11685	1.6
173.09636	3.1
173.13313	1.7
175.07384	1.3
175.11139	1.6
177.03888	2.5
179.14287	3.1
183.11557	1.7
187.11147	1.9
187.14726	1.2
189.03841	1.5
189.09088	4.3
201.09120	1.5
213.03883	2.5
213.12737	2.6
215.14330	1.8
216.14648	1.2
230.06583	3.2
231.04945	15.3
231.10043	1.3
231.13734	1.6
233.15352	3.0
248.07625	4.9
249.05942	1.4
249.14717	2.3
270.55280	1.2
273.11176	2.2
279.15875	2.6
295.91595	1.0
301.17880	1.5
337.21405	1.2
355.22586	2.1
364.20636	1.1
393.27667	1.6
394.28015	2.0
411.28644	6.3
412.29007	5.9
429.29874	10.8
430.30283	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	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
55.01863	10.9
55.05495	1.7
55.78469	0.8
57.03428	6.8
60.04510	1.1
61.02919	7.1
67.05488	2.8
68.99785	4.5
69.03418	32.0
69.07046	3.5
71.01337	0.9
71.04984	7.2
73.02912	11.4
73.04707	0.8
73.87170	0.7
79.05479	2.2
80.05008	0.8
81.03405	35.2
81.07040	4.8
83.01334	1.6
83.04955	1.8
84.04523	0.8
85.02892	100.0
87.00815	34.4
87.01221	0.5
87.04470	1.3
89.98453	0.8
91.03931	2.9
91.05413	2.2
92.05772	1.0
93.07035	3.3
95.04958	1.2
95.08605	4.7
97.02880	38.4
97.06532	1.3
98.03217	1.2
98.06046	1.5
99.00896	0.8
99.04447	16.8
101.02365	1.2
103.03899	1.4
103.74660	0.9
104.93536	0.9
105.01849	28.1
105.07027	6.1
107.04937	0.7
107.08572	3.5
108.04459	7.7
109.02863	32.9
109.10135	9.2
110.10486	1.2
111.08052	1.2
113.51482	0.8
115.03928	2.4
115.05434	0.8
117.01823	5.9
117.07011	1.8
119.08571	1.7
121.06532	1.9
121.10139	2.2
123.08028	1.3
125.05997	1.1
126.05486	5.1
127.03896	71.2
127.11164	1.7
128.04259	1.2
129.01865	4.3
129.06993	1.6
130.90994	0.8
131.04866	1.1
131.08540	3.3
133.06467	4.4
133.10155	1.6
135.08022	1.2
137.05951	16.9
138.79056	0.8
143.08502	1.3
144.06544	0.9
145.04935	34.0
145.06430	1.9
145.10107	2.1
147.02872	4.2
147.11636	1.1
148.11980	1.0
149.09579	0.9
151.03877	1.3
151.07536	1.9
157.06422	1.0
157.10092	1.5
159.02866	29.2
159.04189	1.4
159.11655	1.6
161.05960	1.1
161.09648	0.9
161.13147	0.8
163.07494	1.5
165.09074	10.6
167.07037	1.0
171.02884	0.8
171.11565	1.0
174.06606	0.8
175.07423	1.5
175.11166	1.2
177.03891	2.0
177.09106	4.9
189.03812	1.6
189.09053	6.7
191.10649	2.6
193.08505	0.9
199.14891	0.9
201.09024	2.0
201.12727	1.4
207.10152	3.2
213.03931	2.9
213.08986	1.0
215.14243	1.2
219.10088	1.0
227.10631	1.4
229.17699	0.8
230.06544	3.7
231.04962	13.3
231.10172	2.9
233.15332	1.1
248.07561	4.4
255.10118	1.9
273.11157	2.5
285.18372	1.4
291.12363	1.4
355.22986	0.9
359.11472	0.8
393.27618	1.4
394.28140	1.3
411.28635	2.5
412.29111	3.3
413.29901	1.0
429.29541	1.7
430.15594	1.2
430.30194	3.2
431.31720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	60.0
69.03421	6.5
70.06582	6.4
70.80277	1.3
81.03432	6.8
85.02911	5.6
87.04482	4.3
91.05792	2.9
95.23413	1.3
96.08768	1.1
97.02917	5.0
98.06059	1.4
99.04452	1.8
101.06015	16.8
108.58041	1.1
109.02885	3.2
112.07619	2.7
115.03912	9.0
116.07081	8.5
125.02365	1.5
127.03944	5.0
129.05466	100.0
130.05827	2.4
135.04468	1.3
139.03900	1.5
140.07086	1.6
143.03450	2.6
145.04901	2.3
147.06519	20.9
147.07632	2.4
153.01813	28.2
167.05656	1.9
171.02870	3.2
195.02991	1.7
211.07042	1.5
220.04517	1.6
224.03627	1.7
250.05415	2.1
268.06580	1.8
273.09875	4.6
291.10748	12.8
297.06149	1.4
315.07025	1.8
360.02979	1.5
369.87915	1.4
377.14557	2.2
412.20377	1.8
430.16681	12.1
430.21570	47.0
431.15140	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	431.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70505	1.2
56.96282	2.8
56.96560	46.0
63.95785	1.1
69.03423	2.4
74.97620	1.8
81.03407	1.5
84.96024	16.7
85.02903	6.8
89.03918	1.9
89.05999	3.3
91.05803	2.9
96.56257	1.1
97.02894	3.0
98.97570	100.0
102.10836	1.2
109.02847	1.6
110.97554	23.7
112.99132	4.7
116.98611	55.9
117.03355	1.9
117.04714	1.1
124.99130	2.6
127.03916	3.1
128.98589	30.9
130.93338	2.3
131.00153	4.4
134.99632	20.3
135.04404	3.0
136.06178	2.4
137.05914	1.9
139.54893	1.3
140.98586	3.6
143.00136	10.0
144.98085	2.8
145.02815	2.7
145.04906	1.7
146.99628	15.8
148.94243	1.6
149.01230	4.2
153.01825	4.6
158.99648	13.5
161.01207	20.5
162.99097	2.2
163.03877	15.0
164.98550	1.7
165.00691	2.0
170.99684	6.7
172.94292	12.9
177.00694	18.4
179.02258	5.0
182.99648	7.4
184.94418	1.2
186.95924	1.7
189.00627	8.1
190.95352	9.2
194.99644	4.4
195.01785	3.2
197.01398	1.5
198.99124	2.3
199.04585	1.6
201.00668	18.1
201.02425	1.6
202.95355	1.7
204.96898	1.3
207.01703	2.6
208.97713	9.5
210.99112	1.9
213.00723	6.9
214.95436	1.7
216.98721	1.4
219.01746	48.4
222.99184	2.4
226.98593	28.2
229.00183	3.2
230.94904	6.6
232.96509	3.8
237.02788	68.4
241.00195	11.6
241.02405	1.7
244.99670	39.8
246.91199	3.3
246.98062	2.3
248.95996	10.2
250.98564	3.8
254.94954	1.7
255.03877	4.2
256.96317	2.7
259.01251	14.4
261.02856	13.7
262.98004	1.7
263.00723	31.7
268.99722	12.9
272.95950	7.6
274.97458	12.4
277.02341	2.7
279.03854	12.5
283.01172	4.5
287.00699	16.6
288.92206	3.0
290.97055	12.4
291.97086	1.8
292.98541	4.2
295.01123	1.5
299.00592	2.3
301.02219	4.0
305.01852	3.4
306.93112	2.2
311.00708	11.5
313.02322	3.4
317.01871	1.4
323.00790	8.0
329.01770	21.6
330.93036	2.1
330.96509	4.4
331.03403	1.9
341.01706	8.6
348.97690	2.6
353.01794	2.2
359.02557	3.5
371.02826	32.6
371.06970	1.8
388.93814	2.0
389.03836	50.7
406.94757	2.1
412.93832	2.9
430.94882	12.6
431.04749	2.9
431.94946	1.7
448.95990	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	431.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	19.4
63.55076	2.0
69.65152	2.1
70.06566	2.1
73.04767	2.6
84.96027	7.6
91.05790	6.2
98.97578	59.5
110.97565	25.5
112.99084	4.2
116.98605	28.6
128.98598	40.3
129.29575	2.1
131.00169	7.1
134.99649	12.1
143.00243	3.3
146.99635	23.0
149.01227	3.1
153.01819	10.3
158.99608	4.3
161.01222	4.3
162.99173	2.4
166.84880	2.1
167.05629	2.4
167.92416	1.9
170.99661	9.2
177.00766	3.9
187.25653	2.2
189.00676	10.1
201.00751	3.7
211.99939	10.1
213.00615	2.7
219.01755	51.6
230.00975	48.4
237.02789	100.0
245.03271	12.8
248.02061	19.3
255.03871	6.1
259.01169	6.3
263.04370	3.3
269.03192	5.1
287.04471	10.9
290.00952	4.3
293.03278	3.8
293.92618	2.6
299.04318	4.2
308.02036	8.9
311.04388	5.0
313.05704	2.2
323.04391	9.0
353.05515	2.7
356.04050	4.6
357.04529	3.9
361.02484	2.8
371.06445	53.2
374.05093	4.8
389.07483	52.0
431.08560	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	431.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03936	1.1
55.01860	0.4
57.03424	0.4
61.02919	0.3
65.75603	0.3
68.64863	0.2
69.03417	3.9
69.82542	0.2
70.06596	0.4
71.04964	0.3
71.42118	0.3
72.08130	0.6
73.02892	0.2
79.01437	0.3
79.01842	3.4
81.03407	8.3
84.08134	0.5
85.02892	2.9
86.09685	1.0
91.05795	0.6
97.02883	5.8
99.04423	1.0
105.06987	0.4
107.01307	1.9
109.02865	5.9
125.02333	3.3
127.03898	6.8
128.74707	0.2
129.10275	0.4
133.02866	1.5
143.03377	6.0
145.04944	1.0
149.06007	0.3
153.01807	100.0
153.02858	4.7
154.02150	2.4
154.03275	0.4
161.05925	0.5
165.05406	0.5
171.02858	10.8
172.03076	0.3
220.64218	0.2
223.09996	0.2
237.03882	0.2
244.13065	0.2
261.07526	0.7
297.06009	9.6
298.06317	0.5
305.58398	0.2
315.07047	5.9
343.00720	0.2
361.02826	0.4
431.14731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38200	3.8
53.03941	4.2
55.01868	6.9
55.05510	20.2
57.03433	5.2
57.07070	5.2
67.05504	31.9
69.03422	11.7
69.07063	54.1
71.04970	9.1
71.42956	5.8
72.47713	4.2
73.06561	5.9
79.05479	51.3
81.03384	6.3
81.07041	65.6
83.04974	13.1
85.02908	10.2
85.06520	8.1
88.71037	3.4
91.05462	43.7
93.07039	51.0
95.04964	14.2
95.08590	62.2
97.02892	7.7
97.06517	25.8
99.04457	13.7
99.08105	5.0
105.04503	5.4
105.07021	46.7
107.04942	21.0
107.08572	41.5
109.02914	5.0
109.06516	18.1
109.10169	24.4
117.07011	18.6
119.04957	7.1
119.08567	28.8
121.06467	28.2
121.10136	20.6
123.08051	9.2
123.11711	7.4
125.05997	17.8
128.06187	6.1
129.06960	13.1
130.07756	5.1
131.08534	26.6
133.06488	6.2
133.10126	18.2
135.08096	9.3
135.11670	23.0
136.07571	13.7
137.05954	10.8
138.95958	5.2
139.07527	8.2
141.06938	5.0
143.07022	9.2
143.08557	18.2
145.06503	8.8
145.10114	77.9
147.08047	12.3
147.11664	24.1
149.13255	9.0
153.01808	5.1
155.08530	8.8
157.10138	14.1
159.08099	9.1
159.11682	33.7
161.09642	7.3
161.13200	5.3
163.11168	100.0
164.07092	6.5
164.11414	5.7
165.06859	4.4
169.10110	11.5
171.11708	10.7
173.09604	63.1
174.09982	4.6
175.11154	5.1
181.12257	36.2
183.11671	4.7
185.13286	5.6
187.11115	28.4
189.12769	6.5
191.10608	25.8
197.09665	11.3
205.12234	17.6
211.14821	8.0
215.10713	29.2
215.14253	5.1
225.16432	5.4
225.84769	4.4
227.12720	29.1
233.11659	67.0
234.12189	5.3
237.16455	4.4
239.17963	8.0
251.12802	15.5
253.15918	4.5
267.17371	9.5
276.83463	4.2
278.09872	5.0
281.19049	6.3
284.17749	5.0
285.18469	10.1
286.19287	4.7
347.22198	17.0
347.27512	4.3
365.28336	11.8
377.28259	15.6
383.29224	5.7
395.29333	37.6
413.30484	47.3
431.22006	6.9
431.31522	78.4
432.31665	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	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38200	3.8
53.03941	4.2
55.01868	6.9
55.05510	20.2
57.03433	5.2
57.07070	5.2
67.05504	31.9
69.03422	11.7
69.07063	54.1
71.04970	9.1
71.42956	5.8
72.47713	4.2
73.06561	5.9
79.05479	51.3
81.03384	6.3
81.07041	65.6
83.04974	13.1
85.02908	10.2
85.06520	8.1
88.71037	3.4
91.05462	43.7
93.07039	51.0
95.04964	14.2
95.08590	62.2
97.02892	7.7
97.06517	25.8
99.04457	13.7
99.08105	5.0
105.04503	5.4
105.07021	46.7
107.04942	21.0
107.08572	41.5
109.02914	5.0
109.06516	18.1
109.10169	24.4
117.07011	18.6
119.04957	7.1
119.08567	28.8
121.06467	28.2
121.10136	20.6
123.08051	9.2
123.11711	7.4
125.05997	17.8
128.06187	6.1
129.06960	13.1
130.07756	5.1
131.08534	26.6
133.06488	6.2
133.10126	18.2
135.08096	9.3
135.11670	23.0
136.07571	13.7
137.05954	10.8
138.95958	5.2
139.07527	8.2
141.06938	5.0
143.07022	9.2
143.08557	18.2
145.06503	8.8
145.10114	77.9
147.08047	12.3
147.11664	24.1
149.13255	9.0
153.01808	5.1
155.08530	8.8
157.10138	14.1
159.08099	9.1
159.11682	33.7
161.09642	7.3
161.13200	5.3
163.11168	100.0
164.07092	6.5
164.11414	5.7
165.06859	4.4
169.10110	11.5
171.11708	10.7
173.09604	63.1
174.09982	4.6
175.11154	5.1
181.12257	36.2
183.11671	4.7
185.13286	5.6
187.11115	28.4
189.12769	6.5
191.10608	25.8
197.09665	11.3
205.12234	17.6
211.14821	8.0
215.10713	29.2
215.14253	5.1
225.16432	5.4
225.84769	4.4
227.12720	29.1
233.11659	67.0
234.12189	5.3
237.16455	4.4
239.17963	8.0
251.12802	15.5
253.15918	4.5
267.17371	9.5
276.83463	4.2
278.09872	5.0
281.19049	6.3
284.17749	5.0
285.18469	10.1
286.19287	4.7
347.22198	17.0
347.27512	4.3
365.28336	11.8
377.28259	15.6
383.29224	5.7
395.29333	37.6
413.30484	47.3
431.22006	6.9
431.31522	78.4
432.31665	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	431.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99854	2.5
53.78012	2.4
55.01851	3.0
55.05495	12.5
56.12964	3.1
57.07069	5.0
67.05492	16.1
69.03411	6.3
69.07061	36.2
69.32866	10.5
69.33265	6.2
71.04976	7.3
79.05486	29.2
81.03410	5.6
81.07048	46.0
83.04968	6.4
83.08594	6.0
85.02899	5.5
85.06551	4.1
88.18477	3.4
91.05465	24.5
93.07036	45.5
95.04956	15.5
95.08599	43.6
97.02863	6.0
97.06531	18.2
99.04450	8.0
99.08093	4.5
103.05496	4.8
105.07014	38.5
107.04934	14.8
107.08582	29.6
109.02869	3.9
109.06508	10.7
109.10133	32.2
111.08047	5.2
111.11673	5.0
117.06994	11.1
119.04928	7.7
119.08549	20.0
121.06512	25.3
121.10152	13.2
123.08010	5.0
123.11693	8.6
125.05969	16.3
128.06203	4.0
129.06969	8.2
131.04880	5.7
131.08537	15.5
133.06522	7.2
133.10104	12.2
135.08051	9.7
135.11641	22.6
137.05968	7.4
137.13301	4.1
139.07474	5.4
141.06975	5.1
142.07784	2.8
143.07033	4.8
143.08527	14.5
145.06456	5.7
145.10104	66.3
147.08073	4.7
147.11678	15.8
150.82787	3.0
151.07474	4.9
155.08496	5.6
155.33591	3.1
157.10110	13.2
159.08025	6.3
159.11674	22.7
161.09602	8.3
161.13248	5.8
163.07466	4.5
163.11162	100.0
169.10095	7.4
171.08014	5.6
171.11620	10.6
172.08867	3.5
173.09608	51.1
173.13217	5.9
175.11157	7.3
177.09055	4.4
181.10219	5.3
181.12206	24.6
183.11664	6.9
185.09657	3.5
185.13269	6.6
187.11172	23.8
189.12727	7.9
191.10640	20.1
193.10121	3.8
195.11679	4.2
197.09537	8.6
197.13260	6.0
199.11021	4.2
199.14725	3.3
205.12216	13.0
211.14705	4.8
215.10670	32.7
223.14935	3.2
227.12683	18.8
231.17096	2.9
233.11679	60.4
239.17830	4.6
241.19518	3.5
251.12727	21.3
251.17947	3.4
255.17358	4.1
263.17780	3.9
267.17349	8.4
269.18982	7.1
281.19006	5.0
284.17587	5.4
285.18628	5.1
347.22208	16.2
349.28763	5.4
365.28461	18.0
367.30115	4.7
377.28348	13.3
383.29208	6.9
395.29428	31.1
413.30371	43.2
414.30893	5.6
431.31552	80.6
432.31839	4.6
444.03305	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	431.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.05500	2.6
57.03431	5.2
57.07082	1.4
60.34927	0.6
67.05502	9.3
69.07049	1.8
69.19348	2.8
69.19767	1.0
79.05502	3.2
81.03405	0.8
81.07050	12.7
83.08616	2.3
87.16122	0.7
91.05483	2.2
93.07056	3.0
95.08595	9.0
98.23080	2.9
105.07022	2.5
107.08569	3.0
109.10178	4.6
111.08086	0.6
113.00007	100.0
119.08578	1.6
121.10128	2.4
123.11697	1.7
131.01038	0.9
133.10132	2.2
135.11703	0.8
139.01546	0.7
147.11623	1.3
149.13290	0.9
155.07047	0.9
161.13260	1.0
163.14789	0.6
169.02600	85.1
170.02936	1.0
245.22574	2.9
263.23636	6.7
277.25018	0.8
287.86533	0.7
371.16284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3153
Annotation	Diaulusterol B
Peak:m/z	Relative Intensity
55.05510	6.5
57.07081	1.4
57.84357	0.8
67.05494	29.8
69.06707	1.4
69.07059	18.6
69.61901	0.9
69.62232	2.9
71.04979	6.4
79.05482	6.5
81.07051	15.9
83.08613	4.2
91.05436	6.2
93.07031	10.3
95.04997	2.1
95.08029	1.2
95.08599	15.2
97.06520	1.8
105.07017	14.9
107.08579	12.1
109.06510	2.3
109.10141	100.0
110.10458	1.5
111.11687	1.5
115.05420	1.3
117.07009	2.0
119.08561	8.9
121.06471	10.2
121.10146	7.3
123.08120	1.1
123.11685	3.6
127.11169	12.1
128.06172	1.0
129.07066	1.5
131.08560	4.6
133.06476	2.4
133.10135	8.8
135.08026	22.1
135.11644	6.5
137.05991	1.8
137.13245	2.2
141.06975	1.1
143.08545	3.2
145.02808	1.2
145.06543	1.3
145.10109	7.3
147.08012	8.7
147.11688	8.9
149.09583	3.7
149.13239	2.4
151.07504	2.0
155.08536	2.6
157.10115	3.9
158.07132	1.3
159.08060	4.0
159.11652	6.3
161.09596	5.9
161.13225	3.3
163.11215	1.4
163.14726	1.8
169.10071	2.8
171.08075	2.9
171.11627	2.6
173.09593	15.3
173.13261	2.2
175.11174	4.4
177.05464	2.9
183.11671	1.9
185.09610	4.3
185.13242	2.1
187.11174	6.0
187.14813	1.3
189.12738	2.7
189.16371	1.8
191.10619	12.7
191.17912	1.7
195.11714	1.5
197.13190	2.5
199.11086	6.5
199.14775	1.5
201.12741	3.9
201.16365	2.1
203.14374	0.9
203.18057	2.3
205.19392	1.8
207.11598	1.5
211.11212	1.2
211.14787	1.2
212.11813	0.9
213.12666	5.2
215.14304	2.2
218.16554	1.1
221.13377	1.2
223.14919	1.4
225.12776	5.5
226.13368	1.9
227.14240	6.6
229.15846	3.9
231.13881	1.7
233.13266	1.4
239.14270	2.5
241.15836	1.8
243.13852	2.2
245.15363	1.5
251.14206	1.0
253.15750	1.8
255.17479	4.4
259.16824	4.5
267.17438	3.2
269.19043	4.8
271.16864	4.0
281.19077	3.6
283.16803	7.1
284.17545	5.0
285.18475	8.9
287.20132	3.1
311.20267	1.6
313.21613	3.4
321.22083	1.2
337.25085	6.2
339.23221	3.8
373.27399	11.9
377.28461	4.4
395.29398	62.0
396.29880	7.1
409.45920	1.2
413.30463	5.5
431.31519	43.6
432.31927	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	431.3157
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
51.02369	0.8
53.03942	1.4
55.01868	2.7
55.05505	10.0
57.03431	1.8
57.07071	1.3
59.04988	2.0
61.02934	1.1
65.03953	1.0
65.53562	0.8
67.05502	16.8
69.03436	2.8
69.07063	24.3
69.10308	3.0
69.10720	2.2
71.04980	2.0
79.05482	10.3
81.03418	2.1
81.07053	23.9
83.04974	2.7
83.08607	7.9
85.02914	1.4
85.06534	1.1
91.05470	11.1
93.07043	21.1
95.04955	2.4
95.08600	26.5
95.09222	1.4
97.02892	1.5
97.06525	6.5
97.10152	1.9
99.08103	1.8
105.07018	19.5
107.04946	1.5
107.08589	17.5
109.02875	2.8
109.06525	3.7
109.10149	32.1
111.04430	1.2
111.08051	4.4
113.09621	0.8
117.07033	4.6
119.08575	16.6
121.06483	4.6
121.10148	10.6
122.10493	0.8
123.08068	3.9
123.11717	5.0
124.12148	0.8
125.09638	1.1
127.11195	3.5
128.06259	0.8
129.06976	4.3
130.07750	0.8
131.08546	9.2
133.06506	2.6
133.10123	12.1
135.08093	3.9
135.11676	7.3
136.07561	2.1
137.09601	1.4
137.13251	1.6
139.07584	1.0
139.11215	0.8
141.07011	1.2
142.07788	2.6
143.08575	7.9
145.06429	1.0
145.10126	12.5
147.08032	5.4
147.11653	8.0
149.09625	3.4
149.13284	6.4
151.11179	1.8
153.12794	1.3
155.08572	4.4
156.09447	1.3
157.10121	10.2
159.08035	4.0
159.11687	10.3
161.09630	6.9
161.13263	6.0
163.07513	1.0
163.11163	2.8
163.14830	1.8
164.07068	1.7
165.09149	1.1
165.12785	1.1
169.10123	3.4
171.08051	1.0
171.11678	6.1
173.09622	8.1
173.13271	3.6
175.11159	10.3
175.14806	2.2
177.12738	1.6
177.16399	1.9
179.14287	3.0
181.10063	1.7
182.10898	1.2
183.10228	1.6
183.11597	3.9
185.09659	1.3
185.13309	2.9
187.11198	2.3
187.14809	2.4
189.12709	5.5
189.16377	1.3
191.10571	1.1
193.10289	1.0
193.12248	2.1
195.11723	3.4
195.13799	1.3
197.13313	5.8
199.11171	2.9
199.14751	4.2
200.15327	1.0
201.12793	2.6
201.16490	1.0
203.14215	1.2
207.08286	0.9
207.11725	0.8
207.13805	2.0
209.13300	2.2
211.14861	2.3
213.12688	3.3
213.16338	1.7
215.14330	5.0
215.17947	2.3
217.15874	5.5
221.13432	1.1
223.14839	1.4
225.16457	1.4
227.14281	2.2
227.17851	1.5
231.13684	1.0
233.15411	2.3
235.14839	1.1
235.16939	1.3
237.16417	2.6
239.14278	1.3
241.15915	1.9
243.17450	2.8
245.15288	2.1
251.17957	1.5
253.15781	1.0
255.17442	3.8
259.17029	1.8
261.18521	1.7
263.16248	1.1
267.17557	4.2
267.20242	0.9
269.17590	2.8
271.16940	1.5
271.20468	1.4
273.18546	2.1
281.18735	1.1
283.20688	0.9
285.18494	8.3
286.19153	1.9
287.20264	1.3
295.20532	1.2
297.22021	1.1
313.21637	1.5
321.22089	1.1
327.23245	1.7
337.25235	1.8
339.22977	1.7
345.24048	1.6
353.28351	2.9
355.26273	2.1
357.24347	2.7
371.29590	1.4
377.28278	4.6
385.30930	1.3
395.24588	1.5
395.29437	21.7
396.29874	1.8
413.30475	100.0
414.30771	12.1
431.31760	14.3
432.31799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3156
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.03940	2.9
54.34088	1.5
55.01875	2.8
55.05502	10.7
57.03432	2.6
57.07040	1.7
57.59739	1.7
61.02899	4.0
62.63092	1.3
65.03929	1.7
66.79911	1.5
67.05160	2.8
67.05498	42.0
69.03422	4.5
69.07062	51.5
70.09509	3.7
70.11222	1.6
71.04984	4.3
73.02911	2.8
79.05487	23.4
81.03397	2.5
81.07053	48.8
83.04974	3.2
83.08624	9.2
85.02894	4.7
85.06546	2.5
91.03946	2.4
91.05473	19.9
93.07035	37.2
95.04957	5.7
95.08599	50.1
97.02872	5.2
97.06485	9.7
99.08079	4.0
105.07026	31.9
107.04953	2.6
107.08588	39.2
108.08913	1.8
109.02864	2.5
109.06514	5.2
109.10148	100.0
110.10490	3.0
111.08073	6.8
117.06999	6.3
119.08570	24.9
121.06498	7.2
121.10134	24.0
123.08057	12.3
123.11686	4.8
125.09614	2.9
127.03884	3.6
127.11153	6.6
128.06224	3.1
129.07002	6.9
131.08549	17.1
133.06480	3.2
133.10112	15.3
135.08049	4.5
135.11664	11.7
137.09599	4.9
137.13260	2.6
139.07480	1.8
142.07800	4.3
143.08539	15.7
145.06450	2.1
145.10120	21.4
147.08044	7.4
147.11633	14.2
149.09619	3.7
149.13216	12.8
155.08536	9.4
156.09203	2.4
157.10138	12.7
159.08020	3.9
159.11670	14.1
161.09636	7.4
161.13252	19.2
163.11105	3.9
163.14815	4.6
165.12747	3.0
169.10146	4.5
171.07997	4.6
171.11673	11.5
173.09543	8.2
173.13240	6.5
174.09784	1.8
175.11179	16.5
175.14830	4.3
177.12723	3.2
177.16362	6.9
179.14268	13.0
181.10106	3.4
183.11613	6.0
185.13278	5.6
187.11115	3.1
187.14778	7.5
189.12718	12.9
189.16336	4.1
191.10712	2.4
193.12256	3.7
195.11646	2.5
195.13742	3.3
197.13269	3.3
197.63062	1.8
199.11047	2.7
199.14795	11.5
201.12781	5.0
201.16296	3.6
205.12132	1.7
207.11856	2.0
207.13785	2.1
207.17355	2.2
209.13229	2.6
211.14761	2.8
213.12674	2.6
215.14250	12.6
215.17953	3.0
217.15858	21.6
218.16119	1.7
225.16283	2.4
227.14343	2.7
229.15851	4.1
233.13353	1.7
233.15337	9.9
235.16936	5.8
239.14258	1.9
239.17978	2.0
241.15884	1.5
243.17357	2.6
245.15175	2.1
247.16864	2.5
251.17833	3.4
253.15593	1.9
263.16382	6.3
267.17450	2.3
269.17502	7.3
271.16721	3.5
285.18390	5.4
287.19968	3.8
291.21265	1.7
295.20264	2.2
309.22339	1.9
313.21411	3.1
321.21976	3.5
327.23129	6.6
331.22354	2.3
339.23077	6.2
345.24237	11.6
357.24112	7.1
359.27234	2.5
377.28265	10.4
385.30792	5.2
395.29376	30.0
396.29767	3.9
413.30453	82.1
414.30762	4.7
431.31555	42.3
432.31741	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	431.3156
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.03923	1.0
55.01868	1.6
55.05507	8.5
57.03442	1.1
57.07085	2.2
59.04984	1.1
67.05498	19.1
69.03407	2.1
69.07060	33.6
69.60339	2.3
69.60722	1.9
69.88078	1.2
71.04989	1.8
71.08617	1.6
79.05482	9.8
81.03409	2.3
81.07051	24.2
82.07356	1.0
83.04982	2.2
83.08607	4.3
85.02917	1.2
91.05474	12.3
91.22962	1.0
93.07037	19.1
95.04987	3.9
95.08594	33.4
97.02888	1.2
97.06521	5.1
97.10165	2.2
98.23534	1.0
99.08102	2.0
100.29130	1.0
101.39906	1.1
105.04546	1.4
105.07012	18.3
107.04933	2.5
107.08580	18.3
108.51847	1.0
109.06519	4.2
109.10149	41.9
109.10889	2.3
110.10523	1.3
111.08091	3.3
111.11753	1.4
117.07008	4.1
119.08567	16.9
121.06484	5.4
121.10130	9.8
123.08057	4.1
123.11681	5.0
125.09614	1.5
127.11154	5.4
127.70586	1.0
128.06213	1.5
129.06998	4.0
130.07733	1.0
131.08556	11.0
131.70032	1.0
133.06517	1.9
133.10124	10.8
135.08034	2.7
135.11688	5.6
136.07581	3.4
137.05975	2.2
137.09630	2.8
137.13249	2.0
139.11182	1.5
141.07011	1.7
141.09091	1.1
142.07747	2.3
143.08527	9.6
144.09233	1.1
145.06468	1.5
145.10115	15.3
147.08006	5.0
147.11673	9.1
149.09631	3.6
149.13252	4.1
151.07521	1.7
152.07182	1.2
153.01866	3.0
155.08519	5.0
156.09361	2.0
157.10135	10.1
159.08067	4.1
159.11665	8.8
161.09622	6.6
161.13205	7.0
163.11159	2.8
163.14854	1.1
167.08499	1.3
169.10103	6.1
171.08060	1.4
171.11720	6.0
171.12990	1.1
172.12231	0.9
173.09596	8.0
173.13319	4.2
175.11200	7.7
175.14798	1.2
177.09102	1.6
177.16394	2.4
179.14288	2.8
181.10141	2.7
183.11613	5.8
184.12541	1.5
185.09587	1.2
185.13284	4.5
187.11218	3.3
187.14857	3.2
189.12758	3.3
191.07069	1.8
191.10638	1.7
192.07458	1.1
193.10158	2.3
193.12236	2.1
195.11685	2.5
197.13281	5.8
198.10320	1.0
199.11205	4.0
199.14803	7.2
201.12808	2.6
201.16437	2.5
203.17967	1.1
207.11761	2.2
207.13789	1.3
209.13237	6.8
211.11214	1.5
211.14819	2.6
213.12790	2.5
213.16425	2.1
215.14262	5.0
217.15942	4.4
219.13922	1.2
221.13159	2.0
223.14909	1.5
225.12811	2.7
225.16229	2.0
227.14273	2.8
229.15924	2.1
231.13847	1.4
233.11627	1.4
233.15338	2.5
234.11906	2.2
235.14796	1.8
235.16980	1.7
237.16382	2.0
239.14253	2.5
239.17989	4.1
241.15898	2.3
249.16615	2.7
251.14304	2.0
251.18053	2.5
253.15921	1.4
253.19635	1.3
255.21140	2.0
259.16830	1.1
263.16495	4.5
264.64752	1.1
265.15927	1.5
265.19626	1.9
266.16583	1.2
267.17419	20.8
268.17865	1.3
269.15424	1.6
269.19028	3.8
271.16956	1.4
279.17529	1.5
281.19083	1.6
283.16885	1.2
283.20670	1.3
285.18457	100.0
286.18958	7.1
287.16937	1.1
287.20047	3.4
289.18121	1.6
295.20560	1.5
297.18576	1.7
299.19992	1.5
309.22250	1.5
311.19995	2.7
312.20871	3.6
313.21655	2.4
319.24289	1.8
321.22076	2.6
325.21701	2.4
327.23279	4.5
339.23087	8.3
345.24271	2.2
357.24142	3.9
359.27194	1.6
367.29880	1.2
377.28458	5.6
378.28589	1.9
395.29385	71.3
396.29745	6.2
413.30435	44.6
414.30731	5.4
431.18738	1.3
431.31573	46.7
432.31943	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	431.3155
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
55.01857	2.0
55.05502	9.5
57.07062	2.8
65.03944	1.8
67.05501	35.7
69.03425	3.0
69.07062	41.9
69.36889	9.5
71.04985	5.2
71.08620	1.9
76.51380	1.7
79.05481	17.4
80.25066	2.2
81.03422	1.8
81.07048	56.4
82.07370	2.3
83.04961	2.1
83.08620	5.2
85.06519	3.3
87.24064	2.0
91.05457	18.5
92.05796	1.8
93.07027	30.6
95.04956	6.0
95.08592	44.9
96.08914	2.6
97.06542	10.6
97.10139	3.2
98.22653	3.5
99.08089	11.9
105.07013	31.3
107.04951	5.8
107.08576	32.8
109.06509	5.6
109.10146	83.7
109.31828	1.9
110.10488	2.9
111.08060	5.3
111.11709	2.8
112.57091	1.7
117.07011	6.3
119.04910	1.9
119.08559	25.9
121.06474	7.9
121.10133	25.6
123.08038	11.7
123.11681	5.5
125.09622	3.8
127.11163	8.4
128.06229	2.9
129.06970	6.3
131.08574	19.0
133.06451	3.9
133.10118	19.0
134.10492	1.8
135.08052	5.7
135.11655	13.2
136.07503	2.0
137.06006	2.3
137.09604	3.9
137.13268	2.2
139.07489	2.5
141.06985	2.3
142.07822	2.9
143.08540	16.8
143.10579	2.0
145.10107	28.1
147.08035	11.3
147.11665	19.3
149.09619	4.9
149.13251	8.4
151.11198	2.1
155.08533	7.7
157.10083	16.3
157.11038	1.6
159.08055	4.3
159.11673	14.7
161.09583	9.4
161.13275	14.5
163.11168	5.1
163.14806	4.2
167.07098	3.7
169.10127	7.6
171.08020	4.4
171.11655	11.6
173.09621	9.8
173.13293	5.7
174.21844	1.7
175.11177	16.9
175.14821	2.8
177.16295	4.7
179.14316	7.9
181.10155	5.8
183.11714	6.4
185.09628	2.0
185.13275	7.9
187.11176	5.4
187.14792	4.8
189.12715	11.6
189.16362	3.4
191.10686	3.4
193.12347	3.8
195.11700	3.8
197.13283	6.4
199.11165	5.2
199.14798	10.9
201.12749	8.7
201.16396	4.8
203.17880	2.5
205.12102	2.5
207.11852	2.2
207.13879	1.8
209.13312	2.2
211.14812	4.3
213.12762	4.6
213.16330	5.9
215.14301	8.0
217.15839	15.3
223.14877	3.8
225.12694	2.6
225.16325	2.6
227.14307	5.1
229.15901	4.5
231.13771	1.8
233.15398	6.0
234.12047	2.6
235.17061	4.1
239.17834	3.7
241.15973	5.4
245.15337	2.2
251.17970	5.7
253.15645	2.1
254.16290	1.8
255.21121	2.2
259.16806	2.1
263.16287	4.3
267.17438	7.0
269.18973	10.6
269.32953	1.8
285.18304	9.8
286.19226	10.8
287.20013	9.7
297.21982	3.3
303.19592	2.5
304.47183	1.9
339.23166	5.6
345.24243	4.8
357.24210	7.9
359.27338	2.7
377.28235	9.5
385.30820	3.2
395.29373	27.9
396.29474	2.4
413.30441	81.3
414.30768	7.2
431.31494	100.0
432.31696	10.5
451.52032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3156
Annotation	Homaxisterol C1
Peak:m/z	Relative Intensity
50.25932	1.3
50.39116	1.6
50.62378	1.3
55.01862	2.2
55.05508	8.2
55.18755	1.6
57.07068	2.9
59.05009	2.2
67.05502	25.1
69.03433	3.0
69.07062	29.4
70.07401	1.5
71.04981	2.6
71.42683	1.6
72.05857	1.3
79.05480	9.8
81.07050	30.4
82.07394	3.4
83.04962	2.3
83.08628	5.2
85.06523	2.3
86.09711	6.8
91.05456	12.3
93.07028	26.3
95.04951	3.6
95.08598	25.8
96.08922	1.5
97.06534	3.3
97.10168	2.3
98.23212	2.7
99.08086	11.1
100.08429	2.6
100.48331	1.7
103.05468	6.3
105.07028	17.2
107.04930	1.8
107.08578	18.0
109.06499	3.1
109.10144	100.0
110.10487	5.2
111.08068	4.0
111.11745	3.8
117.07013	4.4
119.08556	11.2
121.06507	5.7
121.10139	10.7
123.08082	3.2
123.11688	4.7
124.07561	1.5
125.09618	2.3
127.11184	21.7
128.06148	1.6
129.06975	5.1
131.04904	11.3
131.08571	9.0
133.10141	8.1
135.08052	2.4
135.10730	1.5
135.11696	6.1
137.05884	1.9
137.09663	1.6
143.08595	7.6
145.10129	11.6
147.08025	2.9
147.11665	8.0
149.09612	3.4
149.13191	2.1
153.01825	4.3
153.12708	4.8
155.04768	1.6
155.08556	5.8
156.09302	2.2
157.10101	9.6
158.10713	1.5
159.11656	9.2
161.09615	4.0
161.13293	2.8
163.07516	3.5
167.08427	1.7
168.09323	1.8
169.10126	3.1
171.08015	1.6
171.11697	5.8
173.09633	4.8
173.13194	4.2
175.11104	2.4
175.14755	2.2
181.10060	3.8
183.11682	5.4
185.09729	1.7
185.13280	4.9
187.11212	2.0
187.14743	2.6
188.07031	2.1
189.09036	2.1
189.12822	2.1
195.11725	3.1
197.13223	3.0
199.11223	2.1
199.14842	6.7
201.12743	4.4
209.13181	3.7
211.14845	2.9
213.12695	2.2
223.14818	2.4
225.16385	4.4
227.14355	3.6
227.17697	2.2
234.08545	7.6
235.14771	2.5
239.14342	1.8
241.15747	2.6
241.19487	1.7
245.15393	2.3
251.17912	1.9
253.15930	2.6
255.17502	1.8
257.18829	1.9
265.19437	1.7
267.17422	2.7
269.18982	3.8
285.18253	3.6
286.18967	2.5
287.19772	2.2
292.60434	1.6
293.22253	2.0
301.21643	2.9
321.22226	2.2
339.23102	3.7
357.24225	2.4
359.27341	2.5
370.72278	2.2
377.28204	9.5
395.29419	15.1
396.29984	2.7
413.30435	27.4
414.30734	2.5
431.16785	15.7
431.31451	56.6
432.16916	2.9
432.31812	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	432.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73598	1.1
52.89940	1.3
53.03949	6.5
53.04159	1.1
55.01862	3.9
55.05508	5.9
57.03431	1.9
57.07058	1.3
63.17632	1.1
64.70734	1.0
65.03937	1.2
67.05501	8.8
69.03424	9.7
69.07064	11.3
69.32306	1.2
70.11890	1.2
70.74156	2.0
73.02906	3.8
77.03931	1.4
79.05042	1.7
79.05488	26.1
81.03408	11.0
81.07054	42.2
83.08605	2.8
85.02901	34.1
85.70227	1.3
87.00809	11.5
88.39618	1.2
91.05474	22.6
93.07037	100.0
94.07343	2.3
95.04964	12.3
95.08610	7.9
97.02902	11.5
97.06516	4.7
98.06849	1.4
99.04459	7.0
105.01863	17.1
105.04510	3.3
105.07024	8.6
107.08587	88.3
108.04435	2.4
108.08907	2.4
109.02871	13.0
109.06512	3.6
109.10159	3.4
117.01847	1.2
119.08575	3.6
121.10133	44.6
123.08025	1.3
126.05481	1.6
127.03912	27.0
129.01776	1.9
135.11708	1.6
145.04961	13.7
147.11674	2.6
149.13246	66.9
150.13609	2.3
159.02905	9.4
171.11572	1.1
189.03874	2.1
231.05028	5.7
233.95862	1.3
304.39667	1.3
443.12363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73598	1.1
52.89940	1.3
53.03949	6.5
53.04159	1.1
55.01862	3.9
55.05508	5.9
57.03431	1.9
57.07058	1.3
63.17632	1.1
64.70734	1.0
65.03937	1.2
67.05501	8.8
69.03424	9.7
69.07064	11.3
69.32306	1.2
70.11890	1.2
70.74156	2.0
73.02906	3.8
77.03931	1.4
79.05042	1.7
79.05488	26.1
81.03408	11.0
81.07054	42.2
83.08605	2.8
85.02901	34.1
85.70227	1.3
87.00809	11.5
88.39618	1.2
91.05474	22.6
93.07037	100.0
94.07343	2.3
95.04964	12.3
95.08610	7.9
97.02902	11.5
97.06516	4.7
98.06849	1.4
99.04459	7.0
105.01863	17.1
105.04510	3.3
105.07024	8.6
107.08587	88.3
108.04435	2.4
108.08907	2.4
109.02871	13.0
109.06512	3.6
109.10159	3.4
117.01847	1.2
119.08575	3.6
121.10133	44.6
123.08025	1.3
126.05481	1.6
127.03912	27.0
129.01776	1.9
135.11708	1.6
145.04961	13.7
147.11674	2.6
149.13246	66.9
150.13609	2.3
159.02905	9.4
171.11572	1.1
189.03874	2.1
231.05028	5.7
233.95862	1.3
304.39667	1.3
443.12363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.9643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	21.1
61.74048	1.8
66.43823	1.8
69.03403	3.0
71.07788	3.3
84.08115	2.8
85.02909	2.2
89.03874	3.3
97.02883	3.9
97.73060	2.0
98.97569	79.8
99.04456	2.2
107.37388	1.8
110.97558	4.4
116.98601	46.2
128.98592	7.8
130.93300	6.3
134.99638	26.4
135.04381	5.0
137.05983	3.5
146.99652	3.7
147.04398	2.1
148.94302	2.0
153.00710	3.5
153.01819	7.9
154.93298	2.6
155.46834	2.3
163.03877	14.2
164.04147	2.6
172.94341	10.0
177.00787	2.4
182.99733	2.0
186.96014	2.2
189.00810	1.9
190.29037	1.9
190.95340	11.7
201.00735	2.7
204.96996	3.3
208.96410	3.5
214.95329	4.3
216.98723	7.1
219.01862	6.4
222.97981	2.4
228.98636	4.1
231.02811	2.2
232.96413	14.0
234.99715	3.3
237.00528	2.2
237.02769	7.5
244.99586	3.0
247.02402	1.8
248.96028	5.3
250.97496	3.7
256.96268	13.1
257.00781	3.1
258.99771	4.5
259.02341	2.7
262.97644	2.2
274.97461	100.0
275.97653	2.5
277.00717	3.7
277.03323	3.6
289.10715	4.6
289.17242	2.1
290.96753	3.2
292.98578	51.5
297.99103	3.2
303.01273	11.1
308.98019	2.0
323.01187	2.3
330.96420	6.2
334.97421	3.8
338.99734	2.5
372.97531	4.4
373.05371	2.2
376.97977	5.5
394.99225	6.4
401.07803	2.6
414.95242	13.4
432.96561	15.3
433.16049	21.1
451.09628	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	433.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23306	0.7
70.23647	0.4
72.53909	0.3
98.23414	0.5
111.26486	0.3
153.01779	0.4
259.07861	0.5
271.11456	6.3
389.17807	0.5
401.14059	1.1
433.16757	100.0
434.17105	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	433.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99790	1.0
67.05509	2.3
69.03415	2.0
69.07048	1.6
69.93463	1.0
72.23714	1.0
79.05470	1.6
81.07048	2.9
85.02882	1.9
91.05471	1.6
93.07040	1.5
95.08557	2.9
105.07023	1.9
107.08554	1.7
109.10096	2.1
113.05933	1.4
119.08486	1.4
121.10108	1.1
123.11707	1.6
136.07588	1.3
137.05919	2.0
145.10052	1.6
151.11118	1.5
153.01823	2.0
157.10107	1.0
164.07033	1.9
175.38663	1.0
181.04942	3.7
185.11494	12.7
213.10963	5.5
283.09531	1.5
283.93134	1.2
313.14282	2.2
329.15524	3.0
347.16724	24.3
347.91034	1.2
389.17773	85.3
390.18134	5.2
403.13922	1.3
433.16794	100.0
434.17123	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	433.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23518	0.5
82.10583	0.3
83.85195	0.3
85.13483	0.2
98.60116	0.3
229.36819	0.3
259.07874	0.5
271.11472	5.3
343.10028	0.4
401.14020	0.6
430.32233	0.4
433.16757	100.0
434.11700	0.6
434.17120	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76207	0.4
66.18057	0.4
66.68748	0.3
67.68264	0.4
69.09721	2.8
86.09720	1.1
93.33248	0.4
98.22958	2.2
110.98981	0.4
116.35511	0.4
121.02874	0.8
136.62201	0.4
137.02344	1.2
137.05960	1.1
151.03888	1.4
153.01839	1.7
163.07602	0.5
169.04750	0.4
191.07045	0.5
200.75734	0.4
200.87033	0.5
205.04800	1.2
230.74132	0.4
236.06706	0.4
433.16769	100.0
434.11356	0.3
434.17151	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	433.1831
Annotation	Tyr Asn His
Peak:m/z	Relative Intensity
52.74508	0.2
55.05504	0.3
67.05515	0.2
68.71857	0.3
69.07064	0.2
69.65707	0.8
71.71021	0.2
79.05489	0.4
81.07032	0.4
91.05524	0.2
95.08620	0.3
98.22953	0.6
105.07029	0.3
107.08678	0.3
109.10162	0.6
119.08549	0.4
121.06468	0.3
121.10075	0.3
131.08514	0.2
131.27180	0.2
137.05956	0.6
140.12129	0.2
157.10109	0.2
161.13353	0.3
163.16618	0.2
181.05028	0.3
203.05246	13.5
253.11977	6.7
253.14668	0.4
254.12532	0.5
271.13025	0.7
348.13565	0.2
359.14978	0.3
414.30322	0.3
415.17130	1.1
415.31598	0.4
433.18304	100.0
434.18634	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1836
Annotation	Tyr Asn His
Peak:m/z	Relative Intensity
53.03916	0.5
55.01873	0.6
67.05508	2.3
69.03432	1.2
69.07057	1.8
69.35213	2.7
79.05491	1.6
81.03423	1.8
81.07044	2.5
85.02886	1.3
87.55927	0.6
90.79999	0.5
91.05474	1.6
93.07043	3.7
95.04945	0.7
95.08585	2.7
96.08983	0.6
97.06513	0.8
105.07029	1.8
107.04977	0.6
107.08601	1.6
109.02892	0.6
109.10165	4.1
110.10478	1.1
117.07021	0.7
119.08579	1.7
121.06528	0.6
121.10149	3.1
122.10467	0.5
123.08119	1.0
125.06013	1.0
125.09555	0.6
131.08578	1.0
133.10106	0.7
134.10483	0.4
135.11711	0.6
136.89279	0.5
137.05963	1.9
137.09557	0.6
142.15121	0.6
143.08554	0.7
143.10645	0.5
145.10120	0.9
147.04483	0.5
149.09587	1.0
149.13258	0.7
153.05466	9.2
155.08521	0.5
155.92410	0.5
157.10014	0.5
159.11682	0.7
161.05984	0.5
165.05507	0.8
167.06996	0.8
175.07582	0.6
177.05492	4.9
181.04941	2.5
191.07043	1.7
193.08594	0.6
195.06523	0.7
205.08623	0.8
215.33904	0.5
219.06447	1.4
256.07446	0.5
261.07697	0.9
271.10379	0.6
271.13110	3.3
271.63324	0.5
283.09583	0.6
287.05594	2.5
349.42743	0.5
397.30945	0.7
401.13885	0.7
403.13849	0.7
414.30725	1.7
415.32095	1.2
433.18341	100.0
434.18671	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05511	13.7
57.03435	11.5
57.07074	2.9
67.05496	63.6
69.07062	9.4
69.61749	4.0
69.62133	2.5
71.08602	1.7
71.69328	1.7
79.05482	37.0
81.07046	70.1
83.08601	7.1
85.06528	2.6
91.05465	20.3
93.07034	49.1
94.07363	1.7
94.38764	1.5
95.04980	3.4
95.08595	48.7
96.08869	1.8
97.06480	2.1
97.10152	2.7
98.23180	6.2
98.98454	96.1
99.08105	2.8
105.04506	2.0
105.07020	13.6
107.08578	35.0
109.06516	3.0
109.10148	25.6
113.09695	2.0
117.07024	6.5
119.08582	12.6
121.10130	21.7
123.11697	14.8
129.07037	1.7
131.08553	13.6
133.10114	12.0
135.11691	15.6
137.13240	3.0
145.10107	11.6
147.11668	8.5
149.13226	12.5
155.01009	9.6
159.11658	8.5
161.13249	7.3
162.69913	1.4
163.14774	10.8
173.02109	17.3
173.13217	10.3
175.14777	2.5
187.14786	5.6
201.16397	2.0
222.59482	1.7
233.22664	3.2
243.21111	17.3
261.22098	53.2
262.22375	2.5
279.23068	1.9
281.42068	1.7
317.24774	7.7
335.25751	100.0
336.26160	7.1
348.13013	1.8
415.22388	2.5
441.70941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.2
57.03435	12.6
57.07073	3.3
67.05500	65.3
69.07071	12.5
69.89687	4.3
75.04498	1.7
79.05489	40.3
81.07051	64.9
82.32801	1.9
83.08609	8.2
85.06538	1.9
89.19952	1.5
91.05471	19.1
93.07043	51.0
95.04948	3.9
95.08598	54.9
97.06517	3.1
97.10204	4.1
98.98459	97.4
105.07021	15.7
107.08595	30.2
109.06492	2.1
109.10153	23.4
113.09615	2.6
116.99517	2.3
117.07040	4.6
119.08594	15.8
121.10144	22.2
123.11682	10.4
131.08556	14.4
131.09407	2.2
133.10133	11.1
135.11685	16.7
137.13261	3.8
138.03737	1.5
145.10144	11.9
147.11668	8.9
149.09596	1.7
149.13242	14.0
155.01019	7.1
159.11649	9.1
161.13264	6.1
163.14803	9.8
173.02075	14.8
173.13248	8.0
177.16347	3.5
187.14847	5.1
201.16357	2.7
216.30481	1.9
233.22632	3.0
243.21033	11.9
261.22141	53.1
279.23541	1.6
317.24762	8.3
335.25775	100.0
336.26077	7.9
346.67438	1.8
371.67691	2.0
403.10245	3.7
415.22607	2.3
433.14713	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	433.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.3
57.03437	5.2
57.07071	5.1
58.21775	2.4
61.70180	1.9
66.57700	1.9
67.05498	45.1
69.07061	9.0
69.77745	7.6
70.51437	2.2
74.23409	2.4
79.05482	31.8
81.07045	44.7
83.08626	6.0
83.19517	2.3
91.05464	19.3
93.07028	37.3
95.05001	4.0
95.08596	39.4
98.23440	3.9
98.98457	100.0
102.69241	2.3
105.07001	17.0
107.08578	30.4
109.10146	18.2
117.07045	7.0
119.08582	13.8
121.10138	21.9
123.11676	10.3
131.08563	14.4
133.10109	10.4
135.11681	15.5
137.13234	3.3
145.10110	8.0
146.36366	2.0
147.11682	8.0
149.13240	16.8
155.00989	20.2
159.11678	9.9
161.13252	7.7
163.14827	5.8
173.02156	16.1
173.13264	7.3
175.14806	3.1
177.16377	3.2
187.14815	5.6
202.47603	2.1
233.22647	3.2
243.21034	22.4
261.22107	66.9
262.22470	4.4
317.24747	9.8
335.25723	42.9
336.25912	4.4
403.10281	7.4
405.15930	3.7
415.22305	5.2
433.15036	10.7
433.23041	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	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
54.10007	1.2
55.01869	11.2
55.05254	2.7
55.05509	40.6
57.03447	9.4
59.05000	2.3
65.03941	4.2
66.42486	1.2
67.05499	37.9
69.03426	6.9
69.07066	16.4
70.69976	3.4
71.04981	3.4
78.24226	1.4
79.05035	3.2
79.05489	50.9
81.03409	8.1
81.07055	39.9
83.04974	5.9
83.08612	14.8
85.02895	3.6
85.06523	2.7
89.91386	1.4
91.05478	44.2
93.07040	35.4
94.07346	1.4
95.04967	34.1
95.08611	16.3
97.06528	5.6
97.10160	25.5
99.08106	2.0
103.05486	4.0
105.03381	1.7
105.04519	2.0
105.07027	32.4
107.04942	17.3
107.08598	22.7
109.02898	1.7
109.06521	6.5
109.10163	10.7
111.08109	2.0
115.05486	4.2
117.07008	20.0
119.04903	3.4
119.08587	14.6
121.06489	17.4
121.10133	14.2
123.08085	8.1
123.25104	1.5
125.09621	17.0
126.95587	1.6
128.06241	5.9
128.29245	1.4
129.05498	2.6
129.06992	26.1
129.07953	1.5
131.04930	14.0
131.08554	27.4
131.09460	2.5
133.06502	10.0
133.10114	7.4
135.04492	1.6
135.08037	9.8
135.11696	4.0
137.09615	1.7
141.07005	8.0
142.07751	2.3
143.08551	16.8
145.06494	22.1
145.10098	17.9
147.08047	9.4
147.11710	4.9
149.09618	21.6
151.07570	2.0
151.11124	1.6
153.07065	2.0
154.07761	3.0
155.08574	10.3
157.06490	3.2
157.10089	9.9
159.08066	10.1
159.11710	12.1
161.09630	6.2
161.13275	6.2
163.11179	7.2
165.06972	1.7
167.08606	5.3
169.10101	12.9
171.08072	5.8
171.10233	1.5
171.11642	18.5
173.09608	7.6
173.13318	3.5
175.11209	6.1
177.09097	2.0
177.12770	2.2
179.08554	2.5
179.10680	1.9
181.10165	4.9
183.08098	3.0
183.11713	5.7
185.09550	3.3
185.13245	6.6
187.11157	9.5
189.09253	3.1
189.11217	8.6
189.12788	13.6
193.10222	2.4
193.12308	1.9
195.11716	5.0
197.09633	3.9
197.13301	3.8
199.11218	3.8
199.14839	3.0
201.12779	3.9
201.16440	3.9
203.10811	2.9
205.10513	1.7
205.12318	5.1
207.11769	2.0
209.13432	1.6
211.11227	6.4
211.14894	2.6
213.12743	3.4
213.16365	2.1
215.10713	4.0
215.14340	2.2
221.13377	2.3
223.13336	4.7
225.12793	4.6
227.12724	3.4
229.12201	7.4
231.13892	3.8
239.14301	1.7
243.13824	6.2
247.13319	2.4
249.14958	3.1
257.15448	2.5
267.15689	2.6
273.14951	3.0
295.20517	3.8
299.16519	1.7
305.18979	2.5
313.21661	5.2
321.16910	2.4
323.20026	22.4
328.36639	1.6
329.21158	2.4
341.21088	100.0
342.21451	7.2
359.22177	8.9
379.22644	1.9
397.23926	2.8
415.24805	36.0
415.30750	2.8
416.25259	2.3
433.25906	67.7
434.26221	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.3
59.05010	19.5
59.18264	7.4
63.47351	8.9
69.07075	9.5
69.28491	47.6
81.07061	16.7
81.30273	7.6
85.06542	37.6
85.98416	7.2
93.07046	12.3
98.22771	14.0
105.07030	19.0
107.08656	7.9
109.10122	14.5
113.00002	90.9
119.08598	21.4
121.10141	8.9
125.09637	10.0
145.10158	10.0
153.88744	8.1
169.02621	100.0
183.11717	9.2
201.12704	11.6
209.13300	8.2
219.77873	10.9
301.50613	8.4
403.10117	19.2
411.43784	9.0
433.14923	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	433.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.05504	50.9
59.04996	62.8
64.50111	5.3
67.05518	32.8
69.03429	5.6
69.07082	8.9
79.05472	28.7
81.07043	19.8
83.04971	6.3
85.06544	100.0
91.05474	74.1
93.07032	38.6
95.04964	19.4
95.08601	26.5
98.22615	11.7
101.16418	5.9
103.05494	9.2
105.07022	60.0
107.08574	21.9
107.50054	5.5
109.06475	15.2
109.10139	12.2
111.08067	18.8
117.07018	28.7
119.08547	71.0
120.28427	6.8
120.38530	6.2
121.10143	26.1
123.08093	10.5
123.11680	6.7
125.09623	17.3
128.06264	15.7
129.07007	14.6
130.07780	8.9
131.08571	28.3
133.10155	19.6
137.09613	20.7
141.06970	8.0
142.07756	21.8
143.08537	26.0
145.10132	37.1
151.11182	21.0
155.08559	15.2
157.10138	24.8
159.11768	7.9
165.06990	10.3
169.10083	12.6
171.11598	9.3
179.08452	8.2
181.10127	11.0
181.22902	6.4
183.11705	11.3
187.14845	9.7
193.10046	14.2
194.10925	7.7
195.11656	8.0
211.14908	7.6
219.11659	8.8
219.83098	6.0
403.10208	12.2
433.14871	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	Isorhodeasapogenin
Peak:m/z	Relative Intensity
55.01862	3.1
55.05505	12.2
57.03432	3.2
57.07087	2.0
65.03926	2.0
67.05504	16.5
69.03415	5.9
69.06712	2.7
69.07065	53.0
69.07444	2.6
70.46503	4.1
71.05004	1.8
71.08640	1.8
73.06532	3.1
79.05482	13.9
81.03415	2.2
81.07050	47.9
82.07377	2.1
83.04984	4.2
83.08609	4.6
85.02892	3.5
85.06529	6.1
91.05484	13.9
93.07039	23.6
95.04962	5.1
95.08598	32.4
97.02892	3.2
97.06537	11.2
97.10159	5.9
98.23402	2.2
99.08086	18.1
105.07017	26.9
107.04927	3.0
107.08591	25.7
109.02882	2.8
109.06493	3.8
109.10158	19.7
113.09605	2.9
115.07572	4.3
117.07019	4.7
119.08586	12.1
121.06501	7.1
121.10154	15.2
123.08037	4.2
123.11691	5.9
125.09641	11.8
127.03922	3.7
127.11195	13.3
129.06985	2.9
131.08574	15.7
133.10129	15.1
135.08037	5.3
135.11690	7.0
136.07564	3.4
137.05965	6.3
138.09074	2.0
143.08577	8.2
143.10666	10.8
145.10120	16.5
147.08046	2.0
147.11661	18.4
149.09633	2.2
149.13298	8.8
153.01854	3.6
155.08482	3.6
157.10120	11.3
159.11682	15.1
161.05925	4.8
161.09569	4.2
161.13254	8.1
163.11168	4.5
164.07069	5.1
167.07013	2.3
169.10149	2.6
171.11705	4.5
173.05911	2.0
173.13225	6.0
175.07500	3.3
175.11180	9.9
175.14796	3.4
177.12761	3.5
181.04875	2.0
181.10112	2.8
183.11671	3.4
184.57996	1.7
185.13213	3.6
186.09006	1.8
187.07503	3.7
187.14825	4.7
189.16328	1.7
195.11760	2.1
197.13194	4.2
199.14815	5.1
201.16376	4.2
211.14784	4.3
213.16389	2.6
215.10648	4.0
217.12022	1.8
217.15779	1.9
223.14749	1.9
225.16461	1.8
227.14384	2.0
227.17935	3.2
237.16493	2.1
243.13783	4.7
251.17932	4.1
253.19542	17.5
269.18976	7.3
271.20618	15.5
281.22687	3.8
283.24277	6.0
287.05490	50.1
287.19980	17.3
288.05859	3.8
288.20184	2.2
289.21921	2.1
299.23718	3.8
323.23526	3.5
359.15054	2.7
361.28735	3.4
379.29996	11.9
386.91757	2.9
397.30963	28.7
403.31595	1.9
415.32016	100.0
416.32260	7.3
432.76450	2.5
433.18021	6.7
433.33115	26.7
445.03015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05505	12.2
57.03432	3.2
57.07087	2.0
65.03926	2.0
67.05504	16.5
69.03415	5.9
69.06712	2.7
69.07065	53.0
69.07444	2.6
70.46503	4.1
71.05004	1.8
71.08640	1.8
73.06532	3.1
79.05482	13.9
81.03415	2.2
81.07050	47.9
82.07377	2.1
83.04984	4.2
83.08609	4.6
85.02892	3.5
85.06529	6.1
91.05484	13.9
93.07039	23.6
95.04962	5.1
95.08598	32.4
97.02892	3.2
97.06537	11.2
97.10159	5.9
98.23402	2.2
99.08086	18.1
105.07017	26.9
107.04927	3.0
107.08591	25.7
109.02882	2.8
109.06493	3.8
109.10158	19.7
113.09605	2.9
115.07572	4.3
117.07019	4.7
119.08586	12.1
121.06501	7.1
121.10154	15.2
123.08037	4.2
123.11691	5.9
125.09641	11.8
127.03922	3.7
127.11195	13.3
129.06985	2.9
131.08574	15.7
133.10129	15.1
135.08037	5.3
135.11690	7.0
136.07564	3.4
137.05965	6.3
138.09074	2.0
143.08577	8.2
143.10666	10.8
145.10120	16.5
147.08046	2.0
147.11661	18.4
149.09633	2.2
149.13298	8.8
153.01854	3.6
155.08482	3.6
157.10120	11.3
159.11682	15.1
161.05925	4.8
161.09569	4.2
161.13254	8.1
163.11168	4.5
164.07069	5.1
167.07013	2.3
169.10149	2.6
171.11705	4.5
173.05911	2.0
173.13225	6.0
175.07500	3.3
175.11180	9.9
175.14796	3.4
177.12761	3.5
181.04875	2.0
181.10112	2.8
183.11671	3.4
184.57996	1.7
185.13213	3.6
186.09006	1.8
187.07503	3.7
187.14825	4.7
189.16328	1.7
195.11760	2.1
197.13194	4.2
199.14815	5.1
201.16376	4.2
211.14784	4.3
213.16389	2.6
215.10648	4.0
217.12022	1.8
217.15779	1.9
223.14749	1.9
225.16461	1.8
227.14384	2.0
227.17935	3.2
237.16493	2.1
243.13783	4.7
251.17932	4.1
253.19542	17.5
269.18976	7.3
271.20618	15.5
281.22687	3.8
283.24277	6.0
287.05490	50.1
287.19980	17.3
288.05859	3.8
288.20184	2.2
289.21921	2.1
299.23718	3.8
323.23526	3.5
359.15054	2.7
361.28735	3.4
379.29996	11.9
386.91757	2.9
397.30963	28.7
403.31595	1.9
415.32016	100.0
416.32260	7.3
432.76450	2.5
433.18021	6.7
433.33115	26.7
445.03015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3311
Annotation	Gitogenin
Peak:m/z	Relative Intensity
53.03944	0.7
55.05498	3.0
55.43629	0.6
57.41549	0.6
61.73268	0.8
67.05158	1.1
67.05502	18.7
68.65476	0.7
69.06702	1.0
69.07063	11.7
69.78233	0.6
71.04978	3.0
71.29904	0.6
71.57671	0.6
78.72007	0.7
79.05487	4.3
81.07051	13.0
83.04984	0.9
83.08607	2.7
91.05483	5.5
93.07031	8.8
95.04952	1.2
95.08604	12.9
97.06537	1.1
97.10184	1.1
98.22527	1.0
105.07030	10.8
107.08586	10.8
109.06503	1.0
109.10149	67.3
110.10441	1.2
111.11701	0.8
115.65473	0.7
117.07013	1.9
119.08570	7.4
121.06487	2.2
121.10137	5.8
123.08075	1.3
123.11687	2.0
127.11198	7.7
131.08563	5.3
133.10127	8.6
135.11652	3.3
143.08545	2.4
145.10121	5.8
147.08038	2.6
147.11646	6.1
149.09592	1.1
149.13284	1.4
155.08551	1.1
157.10104	4.5
159.11682	3.9
161.05959	0.8
161.09673	1.3
161.13313	3.6
163.11256	1.4
163.14777	0.9
169.09999	1.1
171.11687	2.1
173.09636	1.3
173.13217	3.5
175.11168	10.6
175.14821	1.5
177.16461	1.0
181.10176	0.8
183.11673	1.4
185.09628	0.8
185.13260	1.8
187.11185	1.1
187.14771	1.6
188.91147	0.7
189.12761	1.2
189.16429	1.6
191.17966	0.7
192.79204	0.6
193.12234	5.0
197.13286	1.3
199.14771	1.4
201.12726	1.3
201.16377	2.3
203.18005	1.6
207.13708	0.8
209.13199	0.8
211.14793	1.2
213.16469	1.2
227.14250	0.9
227.17989	0.9
229.15884	0.8
233.15379	1.0
239.13940	0.8
255.17453	0.8
261.18442	1.1
267.17548	1.5
267.66153	0.7
269.19098	1.3
271.20563	0.9
273.18472	4.0
285.18445	1.2
286.19269	2.3
287.20062	3.0
305.22867	0.8
315.23248	0.9
323.23672	1.4
341.24765	2.7
379.29993	4.5
397.31000	21.5
398.31284	2.2
433.33105	100.0
434.33487	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3313
Annotation	Markogenin
Peak:m/z	Relative Intensity
50.60023	0.7
53.03944	1.1
54.01394	0.6
54.26017	0.7
55.05508	4.8
57.07059	1.2
67.05497	9.5
69.07066	8.7
71.08636	2.1
79.05492	14.0
81.07054	73.8
82.07381	1.2
83.04980	1.8
83.08594	2.0
91.05470	8.4
93.07043	13.7
95.04967	2.4
95.08601	16.4
97.06531	2.6
97.10208	0.8
98.22654	1.3
98.23343	3.8
99.08091	52.8
100.08432	1.3
100.11249	1.7
105.07028	16.8
107.04939	1.1
107.08583	14.6
107.43513	0.7
109.06532	1.3
109.10156	12.8
111.11622	0.8
117.07021	3.4
119.08587	11.2
121.06501	2.7
121.10140	7.0
123.08055	2.2
123.11721	2.4
128.06274	0.9
129.06998	2.3
131.08554	6.7
133.06473	1.9
133.10126	11.5
135.08075	2.6
135.11684	4.4
137.05992	3.3
137.13214	1.1
141.06850	0.8
142.07794	0.9
143.08543	4.6
145.10124	8.6
147.08076	2.9
147.11671	10.2
149.09666	1.4
149.13283	1.8
152.67284	0.8
155.08568	2.1
157.10129	7.7
159.11685	5.9
161.05966	1.7
161.09650	4.0
161.13246	2.8
163.11186	2.1
169.10176	2.9
171.11713	3.0
173.09642	3.1
173.13295	1.7
175.11197	14.8
175.14795	0.9
179.08447	0.8
181.10106	1.2
182.15443	0.8
183.11679	1.9
185.13286	3.0
187.11137	1.0
187.14842	1.4
189.12753	1.7
191.10693	1.2
193.12228	7.9
195.11682	2.4
197.13278	1.3
199.14825	1.7
201.12779	1.3
201.16345	1.5
203.17952	1.0
209.13289	1.3
211.14862	3.2
213.16331	0.8
215.14301	1.0
215.17897	0.9
223.14894	1.1
225.16429	1.6
227.14380	0.9
229.15866	1.3
239.17902	1.2
241.19641	1.1
251.17949	2.1
253.19473	1.4
269.18970	4.8
271.20480	1.2
273.18500	1.3
277.08603	1.1
285.18433	1.3
286.19229	1.0
287.20041	6.7
299.23648	1.2
317.24811	2.3
341.21146	1.1
341.24994	1.8
379.29880	3.2
397.30994	14.0
415.32132	5.0
433.33115	100.0
434.33401	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	434.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.6
55.01857	14.0
55.05497	5.2
57.03424	7.5
59.76551	5.2
61.02915	7.8
69.03426	39.6
69.07083	3.8
70.06574	19.4
71.04993	6.2
71.43505	3.5
72.97624	3.9
73.02902	11.5
79.05492	8.7
81.03408	33.3
81.07041	6.6
85.02895	100.0
87.00822	38.9
87.04449	6.7
89.89545	3.9
91.03942	4.0
91.05460	6.8
93.07027	21.1
94.07405	5.0
95.08625	5.0
97.02882	85.7
99.04450	24.2
105.01853	34.8
105.07022	12.6
107.04868	4.0
107.08585	7.5
109.02875	33.5
109.06513	4.4
111.08057	7.2
112.07599	14.9
115.03943	6.9
117.01897	4.2
119.08562	4.5
121.10133	12.9
122.10470	7.8
127.03893	86.6
131.08565	5.2
133.04964	5.9
133.10129	7.9
137.02312	29.4
137.05948	8.8
140.07069	10.7
145.04944	55.9
147.11685	5.4
159.02844	29.7
163.06061	4.9
167.07008	10.0
169.04964	29.0
181.04929	4.6
181.08614	5.1
181.10057	4.4
231.05049	6.5
237.14696	5.5
291.81638	3.7
303.01425	6.6
434.18277	12.0
435.19470	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	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03448	1.0
59.05003	0.8
61.02908	0.9
62.06094	1.7
64.46185	0.8
64.94981	0.6
66.37000	0.6
69.03423	3.7
70.40793	1.3
73.02901	0.9
77.46888	0.7
81.03408	2.3
84.59745	0.7
85.02904	10.8
95.83877	0.7
97.02896	3.1
99.04449	0.8
103.05479	0.9
105.06956	0.8
107.04948	100.0
108.05287	2.2
109.02885	1.9
123.04436	0.8
124.03974	1.0
127.03912	2.9
131.04927	2.7
133.06476	1.9
138.09134	1.1
145.04944	2.6
147.07993	0.8
149.05992	1.1
150.09128	1.0
153.01831	9.9
153.03003	0.7
157.06551	0.9
159.04378	1.9
160.05188	1.6
161.05981	1.7
163.07552	1.3
171.02924	1.7
175.07542	0.9
177.05484	7.0
187.03851	4.6
191.07025	1.1
195.06519	16.4
196.06914	1.0
197.78317	0.7
205.04976	2.1
207.10350	0.8
209.08076	44.1
210.08331	1.3
219.06505	17.8
220.06668	0.8
232.14093	0.7
237.07520	5.3
255.08638	5.7
255.11674	1.0
271.05920	0.9
272.06509	2.3
272.14966	1.9
297.06091	1.1
315.07056	1.4
434.17096	1.6
435.17966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
54.93977	0.9
54.94258	0.9
57.03424	2.2
58.69436	0.8
61.02920	1.2
62.64261	0.7
65.03918	1.0
67.05477	1.5
69.03428	7.1
71.04978	2.5
73.02875	1.4
79.01859	4.7
79.05483	1.9
81.03409	11.6
81.07044	3.8
85.02898	12.3
89.06007	2.7
91.05477	1.7
93.07020	2.8
95.08567	1.2
97.02892	10.4
99.04429	2.5
105.07012	2.8
107.01291	2.1
107.08582	2.6
109.02871	7.3
109.06484	1.4
115.03926	3.4
119.08600	1.8
121.02850	6.3
121.10119	2.3
123.11701	2.2
124.03933	1.1
125.02317	3.0
127.03907	11.7
131.08537	3.2
133.10089	2.0
135.11661	1.4
136.07573	0.9
137.05966	3.6
143.03380	5.1
145.04918	4.5
145.10127	3.3
147.11610	1.4
149.09558	1.7
151.07532	6.5
153.01810	100.0
153.02852	3.8
154.02104	2.9
154.63991	0.9
156.10220	1.5
159.08041	2.1
159.11656	2.5
161.05971	1.4
161.13239	1.6
163.07533	3.6
163.11096	1.4
165.09081	1.3
167.07028	2.0
171.02882	11.7
173.13223	2.5
177.05440	1.3
184.16557	0.8
191.06978	2.5
191.14334	2.6
201.16299	4.6
207.10309	0.9
209.11697	10.9
219.10092	1.6
219.13707	5.3
219.17409	3.1
227.16254	1.2
237.11159	5.6
237.14812	2.5
297.06039	9.3
315.07059	10.2
376.36646	0.9
434.16324	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44167	1.2
51.56240	1.1
52.39875	1.2
53.03949	1.6
58.21783	1.3
67.05471	1.3
69.03416	4.9
71.04971	1.4
79.01840	1.9
81.03415	9.0
81.07031	1.8
83.04937	1.4
85.02901	10.3
96.08112	1.6
97.02892	8.9
98.22617	1.9
103.05470	6.1
107.04939	2.8
109.02867	8.0
125.02338	3.4
127.03912	10.7
130.04102	1.2
131.04913	22.0
133.10033	1.2
137.05876	1.7
143.03365	3.9
145.04994	2.5
148.05199	10.5
151.07593	1.4
153.01814	100.0
153.02861	3.7
154.02165	2.6
154.04930	2.5
156.10199	4.8
161.05962	2.5
162.06520	1.4
163.03920	1.4
163.07544	16.7
166.08583	4.2
171.02867	12.3
237.11142	4.2
297.06064	6.5
301.87363	1.2
303.01224	10.8
315.07074	17.8
330.67358	1.4
336.23404	1.4
410.79294	1.4
434.17175	11.2
434.22375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65523	2.0
51.66072	1.9
57.03429	10.4
63.52189	2.0
70.13787	2.0
70.69943	3.7
73.02892	2.0
75.04465	6.2
85.02909	12.9
91.05502	3.5
97.02906	4.4
98.22768	2.5
99.72638	2.2
103.05457	29.8
106.42442	2.2
110.03638	6.0
119.04926	11.9
121.06509	5.9
123.03625	2.0
123.04367	12.4
124.05240	3.0
131.04913	100.0
132.05254	3.7
133.06534	2.1
137.05957	21.6
138.06772	17.7
148.05161	12.8
151.07518	7.4
161.06003	3.6
163.07513	73.3
164.07870	2.8
166.06252	19.9
179.07007	5.6
179.61668	2.2
181.08577	31.3
184.63081	2.1
204.32405	2.2
237.11121	13.5
255.12253	54.2
256.12567	3.8
293.44519	2.4
360.05740	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30386	1.3
57.03429	26.1
59.04979	5.8
60.04511	3.9
61.02908	5.6
69.03420	85.1
69.27421	7.6
71.04951	2.1
73.02898	3.4
73.92046	1.3
75.04454	1.7
81.03405	5.5
85.02894	97.4
86.03219	1.7
87.04456	58.3
90.49014	1.2
90.56271	1.3
91.03963	2.1
91.05463	1.5
97.02878	75.0
98.22990	5.8
99.04436	3.2
103.03915	1.4
105.06997	8.1
109.02855	3.4
115.03912	88.6
126.45778	1.2
127.03905	16.5
129.81776	1.4
133.04948	100.0
145.04941	35.6
147.08035	2.4
150.07588	13.5
161.05966	5.1
163.06020	15.1
169.04967	1.8
171.07985	1.8
189.09026	4.5
198.52660	1.3
201.09039	1.6
207.10088	2.5
223.05962	1.5
241.06897	1.8
257.00772	1.9
259.08127	3.5
260.80197	1.3
275.01907	1.4
277.09113	2.4
285.13232	1.4
295.10010	2.0
303.01294	22.1
356.81458	1.3
362.99622	1.3
434.27740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45997	2.8
55.01869	4.3
55.05511	14.4
57.07057	3.8
61.02909	3.9
67.05487	11.5
69.03429	16.2
69.07070	16.7
71.04987	25.5
71.69011	3.1
79.05491	14.8
81.03398	5.5
81.07050	32.7
83.04957	3.7
83.08606	9.4
84.71027	3.0
85.02885	20.0
85.06534	4.2
91.05495	14.7
91.05981	3.1
93.07030	38.0
95.04952	7.2
95.08603	40.4
97.02862	6.9
97.06514	8.9
99.08109	3.5
105.07014	41.8
105.07668	5.3
105.12753	2.7
107.08591	42.1
109.02837	3.9
109.06520	6.7
109.10159	24.2
111.08064	3.4
117.07010	6.0
119.08580	26.1
121.10137	25.1
122.54053	2.8
123.04429	3.5
123.11688	11.8
125.09593	9.5
127.03873	3.8
131.08536	9.4
133.10115	45.3
135.11664	7.2
136.07600	3.9
136.11224	3.1
137.05910	3.7
143.10648	13.4
144.05676	7.9
145.04977	5.4
145.06473	3.9
145.10104	13.0
145.70267	2.9
147.11687	31.7
149.13235	30.2
151.11179	8.4
157.10114	2.8
157.58768	3.2
159.11707	11.2
161.13228	8.3
164.10698	6.5
165.07382	3.6
165.12646	3.6
167.05615	4.0
167.07010	30.6
167.10690	3.8
167.14296	100.0
168.14702	3.3
172.05167	10.5
173.13217	6.9
177.12810	3.8
181.04926	10.1
185.15253	4.3
187.07544	32.9
191.14244	4.3
201.16360	14.1
219.13889	4.0
219.17453	27.6
223.11458	3.6
233.08195	4.4
237.14917	5.7
241.12555	39.9
255.11174	4.4
330.48172	3.3
417.15057	7.3
434.18085	3.6
435.18820	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	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	17.6
57.07045	4.8
59.04998	5.0
67.05505	26.4
69.03421	21.1
69.07067	32.1
69.24081	26.1
71.04980	45.3
77.17365	4.5
77.99357	5.2
79.05487	31.4
81.03411	9.0
81.07045	69.8
83.08598	17.4
84.04475	11.3
85.02889	47.1
85.06518	10.5
91.05488	26.7
93.07035	76.7
95.04951	11.9
95.08595	75.2
97.02883	16.4
97.06513	10.7
97.10200	7.1
98.23446	10.3
99.04441	8.6
99.08057	10.9
99.34433	4.8
102.05535	11.5
103.05447	7.3
103.20159	5.1
105.07021	76.2
107.04970	10.0
107.08591	60.1
109.06486	6.3
109.10146	37.3
111.08105	5.4
117.07039	5.9
118.06510	5.2
119.08556	36.3
121.06500	5.2
121.10136	35.3
123.11692	17.1
125.09627	22.7
127.03920	10.8
127.11213	6.4
129.06970	6.0
130.04982	100.0
131.08548	31.5
133.10100	86.1
133.11023	7.2
134.17863	4.5
135.08034	4.8
135.11678	16.6
143.10635	35.4
145.04932	5.0
145.10083	32.8
147.11659	40.0
149.13234	59.8
151.11192	12.1
157.10178	8.6
159.08157	5.6
159.11710	30.9
160.12082	5.0
161.13234	14.1
163.11238	7.5
167.07010	40.6
167.14301	81.5
171.01599	4.8
173.13225	9.1
176.14334	36.6
181.04889	12.0
186.66899	4.5
187.07419	5.0
201.12657	5.0
201.16341	23.4
203.17928	5.9
208.16960	48.5
219.17355	75.3
237.14845	8.3
237.18404	6.9
241.12520	6.7
254.19806	7.2
273.12433	6.2
320.18549	26.0
333.02505	6.1
337.21130	14.2
349.85962	5.0
416.32208	12.4
434.33044	5.9
435.19836	11.6
435.24786	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	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	29.8
67.05504	16.3
67.95081	16.6
69.07079	26.7
69.75531	45.9
71.04986	49.4
78.53754	15.8
79.05492	17.9
81.07066	78.7
91.05467	27.2
93.07018	48.2
95.08614	56.3
95.71614	15.7
98.22632	18.8
105.07021	72.5
107.04970	15.4
107.08553	31.0
108.24418	15.6
109.10134	38.6
119.08523	26.1
121.10130	28.7
123.08118	15.7
125.09584	27.7
131.08603	22.0
133.10117	100.0
140.67947	15.6
143.10663	51.0
145.10135	23.5
149.13239	28.7
167.14339	72.0
201.16287	33.2
219.17395	98.4
237.18539	27.9
434.18597	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0557
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
57.03434	1.8
61.02913	0.5
69.03432	2.1
69.68046	0.5
71.01330	0.1
72.25970	0.1
73.02914	3.8
78.89935	0.1
85.02906	0.3
91.05470	0.3
97.02875	1.7
115.03918	1.8
117.03387	0.2
145.02811	0.3
147.04410	0.4
157.02892	0.3
173.02252	0.8
175.03893	0.5
191.03383	0.6
201.01788	3.1
203.03395	0.7
213.01816	0.6
217.01326	0.3
219.03014	0.7
222.24318	0.2
229.01294	3.5
231.02876	1.9
241.01318	0.8
247.02354	3.5
257.00800	10.6
258.01105	0.6
259.02390	1.7
275.01849	10.3
276.02231	0.5
285.00284	9.5
286.00778	0.4
303.01321	100.0
303.98434	0.1
304.01654	4.1
337.89035	0.1
435.05457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49865	0.5
60.83767	0.6
63.90001	0.5
64.62711	0.5
67.05508	1.2
67.66582	0.5
75.16283	0.6
81.07047	1.5
85.02892	0.6
93.07014	0.9
93.80934	0.5
95.08598	1.1
107.08554	1.0
109.10152	1.8
121.02851	1.1
121.10149	0.6
121.13951	0.5
126.99976	0.7
137.05997	1.0
149.05928	0.7
153.01808	0.8
167.03061	0.6
167.07042	1.4
177.05490	0.6
180.82513	0.6
181.05017	1.8
181.08527	0.6
185.04314	0.6
186.06502	1.3
187.07298	1.3
209.08032	0.8
227.05150	3.1
247.20004	0.6
271.04276	2.9
349.12469	6.7
373.12625	1.6
391.13605	46.2
392.13773	2.6
434.33224	1.6
435.12595	100.0
435.18912	4.3
436.12823	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	435.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59356	1.6
67.05482	2.2
69.07051	1.9
71.04646	2.1
79.05480	2.6
81.07048	4.3
85.02911	1.5
91.05453	2.3
93.07017	5.4
95.08624	3.8
105.07031	2.7
106.04192	1.9
107.08607	2.8
109.10139	4.1
115.76440	1.4
119.08592	1.6
121.10155	1.6
133.10156	2.9
137.05949	2.1
167.07059	7.2
181.04915	6.8
182.83809	1.5
186.06503	5.8
197.21140	1.8
203.05228	2.8
215.14302	2.3
227.05220	4.6
233.08110	4.6
263.09125	2.1
271.04276	7.2
273.14648	1.8
278.04709	1.8
349.12384	7.9
391.13599	65.9
392.14188	3.0
417.14963	2.7
434.33466	4.5
435.12592	100.0
435.19751	47.9
436.13123	4.9
436.20349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1497
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
54.15432	1.4
67.05505	2.3
69.03425	3.6
70.69790	1.3
79.01823	2.2
81.03419	5.0
85.02907	7.9
85.06528	2.4
90.59628	1.1
92.49300	1.1
97.02890	4.0
103.07599	3.3
106.15131	1.2
107.01277	1.8
109.02883	4.8
121.08614	3.0
125.02338	2.2
127.03928	7.9
139.03835	1.5
143.03369	3.8
153.01817	100.0
153.02859	3.9
154.02147	2.1
171.02890	11.0
171.06561	1.4
207.65733	1.5
297.05997	4.1
315.07111	12.5
391.37866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01870	1.6
57.03414	1.5
65.03935	1.4
66.50039	1.5
66.90273	1.4
67.05492	2.1
68.81238	1.3
79.05487	13.6
81.07050	2.8
91.05470	23.6
92.73304	1.4
93.07024	11.6
94.04191	1.8
95.04955	8.3
95.08586	1.6
96.30611	1.4
99.04390	1.8
103.05449	9.8
105.04500	1.5
105.07013	8.5
107.04944	28.6
107.08570	2.0
108.05775	1.5
109.06512	4.1
110.03699	1.7
111.04445	3.1
115.05440	4.3
116.06186	1.9
117.06998	6.9
119.04916	4.8
119.08553	2.4
120.05672	2.4
121.06498	22.1
122.03681	1.8
123.04420	7.4
124.05184	4.1
125.05985	4.5
128.06194	9.3
128.33801	1.3
129.06985	27.1
131.04933	9.2
131.08574	12.1
132.08836	1.5
133.02835	2.5
133.06494	5.0
135.04416	2.1
135.08022	7.0
136.05188	1.7
137.05945	22.5
138.06718	2.4
141.06984	2.2
143.04926	1.4
145.06483	8.7
146.07259	2.6
147.04375	6.0
147.08011	2.9
148.05208	4.5
149.05977	6.5
150.06723	2.2
151.03911	3.4
151.07532	18.1
152.04755	3.0
152.06139	2.0
153.05420	17.6
155.07094	1.5
156.05728	1.8
157.06454	21.4
160.05128	2.2
161.05956	28.9
161.09592	7.0
162.06680	2.8
163.07515	17.3
164.97398	1.3
165.05524	3.4
165.06975	8.9
165.09087	10.5
166.06258	11.2
166.07619	2.7
167.07031	74.0
167.08478	5.8
169.10126	1.7
171.08006	1.6
173.05959	3.1
174.06725	14.9
175.07516	12.5
177.05519	3.5
177.07036	3.0
177.09082	10.2
178.07774	3.3
179.07004	5.6
179.08556	6.0
179.10698	2.4
180.05713	2.1
180.07822	2.1
180.09367	1.8
181.04956	7.7
181.06589	6.3
181.08569	100.0
182.07219	6.9
182.08745	1.7
183.08139	1.7
187.07596	3.5
188.08276	2.1
189.09074	77.6
190.07816	3.0
190.09540	1.9
191.08484	4.2
191.10445	1.5
193.06448	4.4
193.08492	3.2
194.07262	4.4
195.07996	10.4
197.05978	2.3
197.09630	8.0
199.07620	3.3
201.09158	1.6
205.08559	2.2
205.10265	1.9
206.07324	3.0
207.08051	5.8
207.10165	15.6
208.08788	4.6
209.05957	4.1
209.09685	2.6
210.06738	5.2
211.07550	5.1
212.08224	2.1
217.08522	2.0
219.08060	6.4
219.10052	2.5
221.05980	6.1
221.09639	2.1
222.06670	3.4
223.07509	12.7
223.11064	3.1
224.08289	4.8
225.05482	2.7
225.09076	20.6
226.06219	2.2
226.09840	2.0
227.07059	9.1
228.07655	1.6
233.08076	5.5
235.07520	5.1
236.04623	1.9
236.08313	4.4
237.05435	3.1
237.09074	5.8
238.06221	1.8
239.07008	7.3
239.10728	3.9
240.07808	6.5
241.08540	8.0
242.09271	2.4
247.07553	4.0
249.08931	2.0
251.07014	8.9
251.10670	7.4
252.07668	1.9
253.08562	19.2
254.09468	3.3
255.06490	5.5
255.10036	7.4
257.08060	3.5
257.11673	13.3
264.07785	3.1
265.08463	3.6
267.06418	1.5
267.10095	6.4
268.07404	3.6
269.08069	11.1
270.08698	4.3
271.09595	2.4
271.13245	2.4
271.72226	1.6
279.10184	8.1
281.08105	1.7
282.08664	1.7
283.09653	14.6
283.13254	8.7
285.07837	3.5
285.11118	30.2
287.09189	1.8
295.09732	3.3
296.10275	2.2
297.11087	6.1
299.08975	3.7
299.12497	3.3
301.10590	1.8
301.14093	2.3
302.11371	7.5
305.13986	2.8
311.12592	8.3
315.12238	19.6
316.13028	3.7
317.13791	21.6
318.14072	2.1
328.13116	2.4
329.13840	7.6
331.15326	6.3
343.15332	19.7
344.15610	1.7
346.14133	13.1
359.14871	11.7
360.15607	53.7
361.16403	43.6
362.16782	3.0
403.17899	1.6
416.32199	2.1
417.15302	4.2
435.20694	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	435.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86483	1.4
53.03928	1.7
53.81336	1.4
55.01865	2.7
55.17824	1.6
57.03427	2.8
57.84266	1.6
61.55858	1.4
65.03944	2.7
67.05489	2.0
71.04978	2.2
74.52882	1.6
79.05479	10.7
81.07037	3.7
83.74490	1.4
85.02912	1.5
91.05470	28.6
93.07033	12.3
95.04971	11.5
95.08604	1.5
96.89912	1.4
98.22705	4.0
103.05470	12.9
105.04471	2.7
105.07032	9.7
106.04156	1.7
107.04940	31.8
107.08576	2.1
109.02898	1.5
109.06488	4.0
109.10165	2.0
110.03683	1.5
111.04433	3.6
114.03540	1.7
115.05460	5.0
117.07011	6.2
119.04941	6.1
119.08637	2.6
120.05717	3.3
121.06490	21.3
122.03695	1.6
123.04437	7.3
123.08088	1.9
124.05204	7.9
125.05965	3.1
127.03931	1.5
128.06194	8.1
129.06987	27.3
131.04900	7.7
131.08545	11.0
133.02835	3.3
133.06490	5.9
134.03665	2.3
135.04411	5.0
135.08034	5.9
135.11758	1.6
136.05183	2.4
137.05969	21.0
138.03076	3.1
138.06697	2.1
140.04662	1.8
141.06987	3.2
145.06448	8.9
146.07153	1.7
147.04402	5.6
147.08072	3.7
148.05168	4.3
149.05983	7.6
150.06766	2.7
151.03922	6.7
151.07544	22.4
152.04669	5.3
152.06020	2.0
153.05444	20.8
153.06772	2.2
153.12656	2.1
155.05978	1.9
155.07076	2.2
156.05708	1.8
157.06473	16.6
159.08008	2.2
160.05165	2.5
161.05963	34.6
161.09607	10.5
162.06703	3.6
163.07535	18.8
165.05540	3.7
165.06990	6.9
165.09076	10.7
166.06296	11.1
166.07635	2.8
167.07036	78.3
167.08495	5.9
171.08060	3.2
173.05905	2.7
174.06728	13.6
175.07504	13.2
177.05498	2.5
177.07002	2.1
177.09076	8.6
178.07745	2.5
179.07014	4.3
179.08617	5.0
181.04982	4.3
181.06635	4.2
181.08571	100.0
182.07275	6.5
183.08002	3.2
187.07561	3.2
189.09076	84.6
190.09485	3.8
191.07059	2.4
191.08699	3.5
191.10617	3.6
193.06505	6.4
193.08568	3.3
194.07260	3.6
195.08067	11.6
195.09962	2.3
196.08740	2.9
197.05998	2.6
197.09642	8.1
199.07518	2.2
203.10686	3.2
205.06593	2.0
206.07266	1.9
207.08086	4.6
207.10182	15.7
208.05219	2.3
208.08803	3.3
209.05931	4.0
209.09586	2.6
210.06723	8.8
211.07559	6.8
212.08363	2.5
213.09077	3.2
218.07219	2.0
219.08072	6.0
219.10191	1.9
221.06070	7.4
221.09669	3.1
222.06758	4.6
223.07526	14.0
223.11139	4.7
224.08272	3.5
225.05608	3.5
225.09038	17.6
226.06192	2.4
227.06927	9.0
227.10579	2.9
229.12271	4.3
235.07466	5.6
236.04678	2.9
236.08275	3.4
237.09050	7.8
239.06984	5.4
239.10643	3.2
240.07889	7.2
241.08553	9.9
242.09442	4.1
247.07567	5.0
249.09039	2.2
250.06224	2.2
251.07036	10.6
251.10608	7.9
252.07999	1.8
253.08604	19.9
254.09427	3.3
255.06595	8.6
255.10013	8.0
255.57202	1.8
256.10895	2.9
257.08017	2.5
257.11786	15.0
257.14325	2.4
259.09756	3.8
263.06897	1.8
264.07773	2.5
265.08554	6.3
267.06711	1.6
267.10187	5.1
268.07327	4.5
269.08035	12.8
270.08795	6.0
271.13187	3.3
279.10141	10.1
281.08078	4.2
281.11539	1.7
283.09665	20.3
283.13232	8.7
284.10330	5.6
285.07855	4.1
285.11142	36.4
286.11737	2.2
287.09250	2.2
295.09671	2.2
296.10464	3.4
297.11218	5.3
299.09317	3.3
299.12775	6.0
301.10657	2.3
302.11444	6.9
303.11798	1.8
311.12665	11.8
313.10751	2.9
315.12225	24.5
316.13031	5.9
317.13818	32.6
327.12195	2.1
328.12955	2.6
329.13779	9.7
331.15289	5.4
343.15402	19.9
346.14124	17.1
359.14822	13.8
360.15613	72.7
361.16367	51.1
362.16891	3.6
403.17477	3.5
435.20129	2.0
455.79910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
57.03429	2.7
65.03925	3.7
66.30445	1.5
67.05471	1.5
69.03412	3.0
69.35870	7.9
70.29414	1.6
71.04976	2.0
71.13770	1.6
77.03913	2.1
79.05487	14.4
81.07047	4.5
85.02905	4.1
91.05471	27.6
93.07037	17.1
95.04967	10.6
95.08597	3.1
97.02875	2.3
102.04593	2.0
103.05463	14.2
105.03398	1.9
105.04501	3.0
105.07011	13.0
106.04160	3.8
107.04945	32.7
107.08578	6.1
109.06506	4.5
111.04408	4.4
112.53259	1.6
115.05446	4.0
115.33516	2.1
117.03405	1.6
117.06998	6.6
119.04945	6.8
119.08595	3.6
120.05746	2.1
121.02854	18.4
121.06493	20.9
122.03632	2.0
123.04401	7.5
123.08059	2.2
124.05182	4.8
125.05956	3.8
127.03942	2.8
128.06210	9.4
129.06985	30.2
131.04939	10.5
131.08578	11.1
132.05673	1.6
133.02811	3.0
133.06490	5.4
135.04385	3.7
135.08022	7.2
135.11694	3.8
136.05196	2.3
136.86011	1.7
137.05972	23.4
138.06703	2.7
141.06966	1.8
145.06516	8.4
146.03638	1.9
147.04407	5.8
147.08017	3.8
148.05211	3.6
149.05957	7.2
149.09584	2.6
150.06728	3.2
151.03868	5.1
151.07520	21.6
152.04663	5.8
152.06244	2.6
153.01814	8.9
153.05460	19.3
153.06746	3.3
155.07039	2.1
157.06461	21.1
158.07265	1.9
159.07985	2.5
160.05078	1.9
161.05962	36.3
161.09593	11.9
163.07526	18.4
165.05588	3.2
165.06972	8.5
165.09102	10.7
166.06294	9.8
166.07564	2.1
167.07040	81.2
167.08487	6.7
167.24159	1.9
168.07349	1.8
169.06554	2.2
171.08058	4.7
173.05998	1.8
174.06729	14.5
175.07574	8.5
176.04170	1.6
177.06938	2.8
177.09106	9.2
178.07675	2.2
179.07047	4.8
179.08560	6.3
180.07700	2.4
181.05042	3.8
181.06577	4.4
181.08577	100.0
182.07239	5.4
182.08887	3.4
183.08032	3.8
187.07541	3.0
189.09090	74.2
190.07800	3.6
191.06924	2.1
191.08508	4.5
191.10419	1.7
193.06432	4.5
193.08469	2.9
194.07268	5.2
195.08038	15.2
196.08752	2.4
197.05931	2.8
197.09631	9.8
198.06731	2.1
199.07475	4.0
205.06516	1.8
205.08463	2.4
207.08109	4.0
207.10153	15.6
208.08792	5.2
209.05937	3.4
209.09668	4.3
210.06752	7.5
211.07414	8.7
211.11215	2.0
212.08211	3.6
213.09149	3.3
219.08051	9.3
219.09985	2.4
221.05988	6.1
221.09589	2.3
222.06767	3.1
223.07491	12.0
223.11069	4.4
224.08180	3.0
225.05490	3.9
225.09097	20.6
226.06172	1.9
227.06927	10.1
227.10545	2.1
229.12119	4.3
235.07542	5.8
236.08273	7.1
237.05486	2.8
237.09026	5.7
238.09581	2.1
239.06906	8.9
239.10666	4.2
240.07751	7.5
241.08511	10.2
242.09177	4.1
243.41986	1.8
247.07520	6.0
248.08180	2.5
249.09030	3.0
251.07071	8.5
251.10703	10.1
252.07803	3.1
253.08586	16.3
254.09201	2.9
255.06468	6.2
255.10046	7.6
257.11716	17.4
264.07620	2.7
265.08578	3.7
265.12225	1.9
267.06393	2.4
267.10089	5.7
268.07352	3.9
268.10947	2.3
269.08118	9.8
269.11618	1.7
270.08768	5.6
271.09488	2.7
271.13147	2.7
277.08490	1.9
279.10162	7.5
280.10696	2.2
281.08228	2.6
283.09622	19.5
283.13223	10.0
284.10284	3.8
285.07892	3.0
285.11148	33.6
286.11813	2.1
287.08902	2.3
295.09717	3.4
296.10239	3.9
297.11197	7.2
299.09195	3.9
299.12659	5.4
300.09845	3.6
301.10724	2.2
302.11435	9.8
311.12708	12.1
312.12955	1.7
315.12210	19.9
316.13022	6.3
317.13766	28.4
328.12927	2.8
329.13846	8.3
329.17197	2.1
331.15344	5.3
343.15396	16.6
344.15875	2.7
346.14032	16.8
359.14880	8.6
360.15622	56.6
361.16339	46.8
362.16452	2.3
399.02213	1.9
405.64011	1.8
435.19839	38.6
436.20209	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.0
60.26004	0.7
65.03944	1.0
65.62862	0.7
69.03413	2.3
69.76221	2.3
71.01322	0.7
73.02908	3.9
79.05476	1.6
81.68724	0.8
85.02889	1.4
91.05470	9.1
92.70113	0.8
95.04942	1.4
97.02875	1.8
98.23067	2.5
102.61621	0.7
103.05453	2.1
105.07003	3.9
105.34967	0.8
107.04943	5.3
109.06480	1.2
115.03932	2.2
115.05423	0.8
119.04942	6.0
121.06488	2.5
122.03654	2.7
128.06232	1.2
129.07010	6.1
131.04921	3.7
131.08549	2.3
133.06517	1.4
135.08043	1.6
137.05959	32.0
144.05641	1.1
145.06483	1.8
146.07257	3.2
147.04417	2.2
148.05153	4.0
149.05948	3.0
149.09570	1.3
150.06700	1.0
151.07529	20.5
151.08722	1.1
154.77309	0.9
157.06464	3.0
159.08017	1.2
161.05965	91.6
161.09595	21.6
162.06493	1.9
163.07545	5.4
165.06970	1.0
165.09163	1.3
166.49525	0.7
167.08545	1.9
174.06790	4.3
175.07520	7.8
177.09109	2.3
178.07693	1.1
189.09087	57.2
190.09422	2.6
191.03493	1.1
191.06961	1.6
195.08044	3.2
195.09853	1.1
201.01863	2.8
201.09042	0.9
203.03340	1.0
207.10146	76.4
208.10440	2.0
209.09500	1.1
211.09566	1.1
212.08194	1.0
213.01711	0.7
219.02884	1.0
219.10136	2.1
221.05948	1.7
221.09583	1.4
223.07582	2.1
225.09010	1.6
227.10686	3.1
229.01248	4.1
231.02841	1.9
237.09085	1.3
237.11211	1.6
239.06943	0.8
240.07840	0.9
241.01279	0.9
241.03674	0.9
241.08585	1.0
247.02328	3.2
249.09004	1.4
253.08557	2.3
253.12210	2.0
255.06322	1.0
255.10246	3.6
257.00784	11.6
259.02386	1.8
267.10147	1.1
269.08011	1.6
271.09518	0.9
275.01779	9.7
281.11652	1.4
285.00275	8.7
285.11157	3.6
286.00809	1.2
287.12729	10.1
297.11255	1.2
299.12836	1.5
303.01321	100.0
304.01672	6.5
313.14374	8.8
330.14581	2.9
331.15445	7.9
342.14920	0.9
371.07761	0.8
387.18106	1.2
405.18961	2.7
435.29370	8.4
449.29034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2505
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05502	23.5
57.03431	11.8
57.07068	11.5
65.65900	10.0
67.05511	74.2
69.07060	33.3
69.18078	43.0
69.18496	28.8
79.05505	21.1
81.07054	60.0
83.08605	23.1
91.05499	18.9
93.07043	20.6
95.08595	69.6
97.10192	11.4
98.23070	53.2
98.98464	100.0
105.07037	14.9
107.08588	15.9
109.10154	36.1
119.08595	17.1
121.10140	17.1
133.03432	11.7
133.10222	18.8
155.01048	42.0
161.56863	10.8
175.04527	58.3
177.16182	9.4
221.92517	10.7
245.22589	20.2
259.38809	12.2
263.23721	30.7
301.20099	52.7
337.27356	64.3
338.28027	11.3
397.91501	12.6
441.44339	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	435.2505
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05505	21.7
57.03436	14.4
57.07069	5.7
59.00640	2.5
64.22391	2.3
67.05503	65.6
69.07069	25.3
70.40107	2.6
72.15569	2.3
79.05495	16.1
81.07053	51.7
83.08609	15.7
85.06541	3.6
91.05473	11.2
93.07043	15.7
95.08599	44.9
96.08940	2.4
97.10149	8.1
98.22740	3.1
98.98465	77.4
99.59994	2.9
105.07022	6.2
107.08579	10.3
109.06516	7.7
109.10143	22.9
119.08554	7.1
121.10139	10.4
123.11694	10.4
133.10107	7.6
135.11678	4.2
147.11664	6.7
149.13211	3.5
151.14790	3.9
155.01036	20.3
161.13261	5.3
163.14822	8.6
173.02097	11.0
175.14885	3.1
245.22563	11.7
263.23709	20.1
337.23331	5.1
337.27356	100.0
338.27667	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	435.2736
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.02375	0.8
53.03936	3.5
55.01870	1.7
55.05506	15.8
57.03430	3.2
57.07059	1.5
59.04979	3.6
65.03938	3.6
67.05499	100.0
68.05830	1.8
69.03408	1.1
69.07064	7.3
69.99432	0.8
70.54747	1.3
71.04995	2.5
77.03912	1.0
79.05487	43.3
81.03405	4.8
81.07049	34.3
82.07342	0.9
83.04974	5.5
83.08609	8.2
85.06538	3.5
91.05470	33.4
93.07039	34.4
95.04951	15.2
95.08598	16.3
97.06537	2.2
97.10141	3.0
99.08052	1.6
105.04501	2.8
105.07015	21.9
107.04948	6.0
107.08579	13.4
109.06513	9.9
109.10144	57.8
110.10491	1.8
111.08080	3.7
117.06999	4.4
117.54437	0.8
119.08577	16.0
121.06488	1.9
121.10120	4.2
123.08074	3.9
125.19706	0.9
127.07570	1.3
129.06992	7.9
131.08563	2.9
133.10110	8.1
134.52882	0.9
135.08060	0.9
135.11688	1.7
137.09612	1.9
139.68501	0.8
141.06992	1.1
142.07693	1.2
143.08551	5.7
145.10109	7.5
147.08035	1.3
147.11676	20.1
155.10637	3.1
157.10071	2.4
159.11646	2.1
161.09595	1.9
161.13225	7.2
167.08562	0.8
171.11676	16.1
173.11742	14.4
173.13208	1.6
176.50470	1.0
183.11575	1.1
187.14836	1.9
189.12711	6.5
199.14859	0.9
201.16336	1.7
207.13776	17.2
225.14862	1.3
268.97256	1.0
343.22357	1.4
346.06891	1.0
417.26025	18.1
417.31036	1.6
435.27322	56.0
435.32462	4.6
436.27884	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03938	3.7
55.01864	2.7
55.05503	23.1
57.03432	14.9
57.07068	1.9
59.04983	0.9
65.03924	4.3
67.05496	100.0
68.05811	1.7
69.03420	1.1
69.06705	1.6
69.07059	20.1
69.29967	2.5
69.30380	2.2
71.01341	5.5
71.04980	6.9
72.77339	0.9
77.03923	2.8
79.05482	70.9
80.05823	1.5
81.03419	8.2
81.07047	38.9
83.04972	13.8
83.08619	7.2
85.02863	1.6
85.06529	5.0
91.05470	37.6
93.07032	77.9
94.07373	1.0
95.04963	17.1
95.05541	1.7
95.08601	13.7
97.06519	18.0
97.10154	14.6
98.22720	2.1
99.08081	2.1
103.05447	0.8
105.04521	4.4
105.07018	14.5
107.04948	4.7
107.08580	48.8
108.08909	1.5
108.94674	1.0
109.06493	3.1
109.10138	20.3
111.08070	3.1
111.11679	1.0
115.05436	1.1
117.07014	8.3
119.08573	13.1
121.06508	2.8
121.10119	9.9
123.08041	0.9
125.09585	2.4
129.06996	2.7
130.07823	1.6
131.08557	1.6
133.10114	7.6
135.08105	1.8
135.11676	68.0
136.12022	2.3
137.09605	2.9
143.08589	2.5
145.10092	15.7
147.11676	3.8
152.21960	0.9
153.12714	2.0
155.10606	0.9
156.13445	0.9
161.13251	1.7
163.11159	9.8
171.11676	2.9
173.11732	3.8
181.12221	16.7
189.12753	1.6
199.13228	4.5
207.13608	4.2
255.16101	1.5
332.55328	0.9
343.22571	2.1
381.79288	1.0
417.26331	1.4
435.27386	52.7
436.27716	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	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.02372	1.1
53.03936	2.6
55.01867	2.2
55.05506	17.4
57.03428	2.5
57.07074	1.5
59.04992	3.5
65.03928	5.2
67.05497	100.0
68.05834	1.1
69.03419	1.3
69.07052	6.2
69.74677	1.6
71.04984	2.6
73.06567	0.7
77.03894	0.7
79.05484	38.7
81.03407	4.6
81.07047	35.0
83.04974	6.8
83.08602	7.6
85.06535	3.6
91.05470	32.0
92.05828	1.5
93.07035	30.2
95.04962	13.7
95.05529	1.1
95.08595	17.8
97.02870	0.6
97.06532	2.5
97.10167	2.1
98.23365	0.8
99.08086	1.1
105.04520	1.5
105.07020	23.2
106.07339	0.7
107.04919	3.4
107.08579	13.0
109.06506	3.4
109.10143	56.5
110.10543	1.1
110.72400	0.7
111.08072	2.6
115.05470	1.4
117.07038	4.6
119.08569	17.2
121.06493	2.0
121.10117	4.4
121.32398	0.7
123.08074	3.5
125.09627	1.1
128.06213	1.7
129.06973	7.9
131.08553	3.4
133.06509	1.0
133.10118	7.5
135.08037	1.4
135.11714	3.3
137.09630	2.4
143.08568	4.7
145.10114	7.2
147.08092	1.0
147.11668	19.3
149.13255	0.8
155.10686	3.1
157.10136	2.2
159.11690	3.5
161.09618	3.2
161.13243	6.8
163.11183	1.2
169.10114	1.2
171.11662	13.8
172.12010	0.9
173.11742	13.0
173.13232	1.9
175.14786	0.8
179.14320	0.9
185.13239	0.8
189.11298	1.1
189.12741	6.2
197.13359	0.7
199.14793	0.8
201.16370	2.8
207.13779	16.1
208.14258	0.8
213.16373	1.5
215.18015	0.9
225.14833	1.4
226.79417	0.7
247.17041	0.7
273.82861	0.8
381.37186	0.7
389.31976	1.3
416.62796	0.8
417.26266	0.9
435.27386	38.7
435.32715	4.8
436.27695	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	436.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.8
55.01869	11.6
57.03428	8.6
60.88867	2.9
61.02922	7.0
65.03943	3.8
66.31676	2.9
68.99785	7.0
69.03423	35.4
70.32009	5.5
70.32347	4.0
71.05013	4.1
73.02915	12.0
81.03414	34.4
82.94753	2.9
85.02894	100.0
86.03226	4.4
87.00824	38.4
96.68427	2.7
97.02897	36.5
98.97568	8.6
99.04431	19.4
105.01855	34.0
107.04958	9.4
108.04502	6.7
109.02876	35.9
111.04429	20.7
116.98604	3.6
117.01834	5.3
118.78909	3.0
126.05505	8.2
127.03886	63.8
127.04749	5.0
129.01826	8.3
135.04381	3.2
139.03886	49.5
139.04857	5.2
145.04947	33.0
147.02844	6.1
147.04305	3.0
159.02881	24.1
161.02982	4.9
163.03879	21.4
171.06505	65.6
171.07938	4.3
172.06845	5.6
177.00687	5.5
181.04935	7.6
189.03960	6.2
195.06528	26.8
196.44730	3.2
201.33035	3.2
213.07530	22.9
231.05002	10.9
237.07547	14.5
259.27206	3.1
261.07657	6.3
279.08624	16.6
415.89404	3.7
436.12790	4.4
436.19571	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	436.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.9
55.01868	13.3
57.03415	7.5
61.02915	8.6
65.03925	4.6
68.99789	6.3
69.03421	33.0
70.56443	3.5
71.04968	5.7
73.02901	9.1
77.15681	1.8
79.05493	2.1
80.04982	2.4
81.03410	33.9
85.02896	100.0
85.03414	5.2
85.08872	1.8
87.00825	41.8
89.31076	1.9
91.03982	2.4
93.03390	3.0
97.02880	35.0
98.36996	2.2
99.04450	16.3
103.03949	4.3
105.01856	25.5
107.04947	9.3
108.04455	8.8
109.02879	32.8
111.04429	16.9
115.03951	2.8
115.94313	1.9
116.48445	2.3
117.01855	3.2
126.05508	4.0
127.03897	62.6
129.01840	7.6
135.04391	4.5
135.96992	2.4
139.03891	52.2
145.04929	28.1
147.02859	4.4
149.05894	2.5
153.05435	2.3
159.02875	20.2
163.03914	14.9
169.04951	2.9
171.06505	63.4
172.06845	3.1
177.03900	3.4
177.05421	4.4
181.04947	9.9
189.04021	4.3
195.06482	23.4
207.06496	2.5
213.03961	3.2
213.07549	19.4
231.04985	10.1
233.08009	3.5
237.07588	14.1
248.07719	3.5
261.07556	8.5
279.08472	14.4
329.50778	2.6
453.16068	2.3
458.67645	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39854	1.7
57.03430	6.3
57.24698	1.6
61.37317	1.3
69.09200	1.4
70.54301	2.1
70.54633	2.3
71.61047	1.6
75.04464	1.8
79.05495	2.2
85.02902	4.9
91.05496	1.5
103.05453	1.8
104.86251	1.4
105.07028	26.8
107.04911	1.9
128.20442	1.5
133.06480	61.1
133.68753	1.5
134.06847	2.2
137.05971	100.0
138.06277	3.2
163.07553	4.3
165.09103	36.8
165.10416	2.6
175.07529	2.6
181.08603	3.1
183.10170	28.7
221.11769	4.3
239.12843	3.3
257.13828	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.1
56.06165	7.5
57.03429	9.6
58.72855	6.8
67.05493	9.6
69.03413	12.8
70.75416	11.5
79.05491	18.1
81.03404	24.5
81.07047	19.5
85.02901	63.5
87.00822	34.4
91.05481	19.6
93.07039	90.6
95.08609	33.6
97.02869	37.3
99.04474	13.8
105.01858	44.3
107.08581	100.0
109.02866	14.9
109.10262	6.9
119.84241	7.1
127.03913	42.9
135.11703	62.6
136.36664	7.7
145.04921	22.0
159.02917	10.8
331.25040	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
53.71883	2.2
55.01865	8.7
55.05496	3.4
57.03428	7.1
61.02924	3.4
61.90627	2.3
67.05505	6.8
69.03420	17.5
69.07068	3.0
69.46639	7.8
73.02901	9.5
79.05483	13.9
80.97761	2.1
81.03410	25.8
81.07048	10.9
85.02892	57.4
87.00810	22.4
91.05468	30.2
93.07031	80.2
94.07396	4.3
95.04964	11.8
95.08624	12.2
96.08865	2.5
97.02886	27.3
97.06524	9.3
99.04453	9.9
105.01841	27.0
105.04533	3.1
105.07001	12.0
107.04949	9.3
107.08581	100.0
108.05251	4.4
108.08946	2.6
109.02873	21.5
109.06515	6.0
109.10178	6.7
119.04988	2.9
119.08548	2.5
121.02876	5.4
121.06527	5.9
124.05124	3.5
127.03898	42.7
127.04745	3.6
128.06184	3.2
129.07024	6.2
130.07353	5.2
131.04869	3.0
131.08588	4.6
135.08014	3.0
135.11674	60.3
135.12651	4.4
137.05948	7.4
137.13315	3.1
138.06284	2.8
141.89021	2.8
145.04961	24.7
149.05922	3.5
151.07542	7.0
152.07906	3.9
153.01808	4.7
153.05458	6.0
153.12767	3.6
154.02161	2.7
157.06456	5.4
158.06818	3.4
159.02806	13.9
161.05989	8.5
161.09615	3.3
162.06271	3.9
163.07507	7.8
164.07973	4.1
167.07013	24.6
168.07361	14.5
174.06839	2.8
175.07457	2.5
181.08540	20.0
182.08916	20.2
189.09079	17.0
190.09396	18.3
195.07841	3.4
195.09808	2.7
208.10391	4.3
208.55804	2.4
210.06647	4.2
220.48055	2.7
223.07327	2.7
224.07970	3.3
225.09055	2.4
226.09323	4.9
227.11821	4.4
231.04945	4.8
237.08783	3.1
241.08298	3.8
242.08986	4.6
248.07825	3.2
252.11128	3.2
253.08401	2.9
254.09140	5.6
256.10565	3.8
257.11554	3.1
258.12064	5.2
270.08511	4.7
280.10538	5.0
284.09940	4.1
284.13379	3.7
285.10965	5.7
286.11600	9.3
297.12457	4.0
300.12900	3.0
307.90167	2.7
312.13156	4.9
315.13223	11.7
316.12772	6.9
317.13562	5.7
318.14215	9.3
344.15686	9.0
347.14493	7.8
360.15268	9.7
361.16000	22.0
362.16574	17.1
436.20255	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
53.38483	0.6
55.01874	0.9
56.96544	2.0
60.67590	0.6
63.58223	0.6
69.03419	3.9
71.05009	0.7
71.42162	0.7
79.01851	3.0
81.03409	5.0
85.02901	5.0
97.02879	3.9
98.97585	3.4
99.04426	1.2
107.01302	2.7
109.02857	4.7
110.97551	0.6
116.98592	2.0
123.05556	0.6
125.02299	3.6
127.03000	0.9
127.03896	7.3
141.06570	0.7
143.03383	5.8
145.04933	1.4
153.01807	100.0
154.02167	2.4
163.03870	1.2
171.02861	11.6
172.03098	0.7
191.03448	0.8
197.01482	0.7
215.05833	0.6
219.01788	0.8
232.96483	1.6
237.02768	0.7
238.98997	0.8
247.02139	0.7
256.99817	0.8
257.15100	0.6
267.00150	0.8
274.97592	1.0
278.96930	0.6
284.16309	0.6
292.98721	0.7
297.05988	4.7
305.01944	1.0
315.07077	10.3
321.11563	1.1
323.02966	2.7
351.01804	2.0
352.74765	0.7
352.98764	0.8
369.03503	0.7
370.99582	0.7
373.27844	0.6
377.00418	1.0
377.11197	1.4
395.00775	2.4
395.13065	0.6
413.01981	2.0
437.16302	46.9
438.16443	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	437.1442
Annotation	Catechin 3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
50.64878	0.3
51.02369	0.4
53.03925	0.6
55.01866	0.6
55.05496	0.7
57.03422	1.2
57.07058	0.3
67.05502	2.6
69.03426	5.1
69.07050	0.5
71.04977	0.5
73.02908	0.4
73.24974	0.3
73.67271	0.3
79.01836	4.0
79.05483	1.2
81.03408	6.0
81.07037	2.3
83.08618	0.4
85.02899	6.2
85.06538	1.8
86.06860	0.3
87.04468	0.9
91.05468	1.4
93.07037	2.5
94.07378	0.4
95.04961	0.5
95.08601	1.5
97.02879	5.4
97.06544	0.5
99.04436	0.9
105.01859	0.5
105.07020	1.7
107.01310	2.2
107.08598	2.1
108.08893	0.6
109.02872	5.2
109.06546	0.4
109.10150	3.6
110.10490	0.4
115.03927	1.3
117.07009	0.6
119.08565	1.2
121.06536	0.4
121.10128	1.0
123.00796	0.5
123.11724	0.5
125.02348	4.2
127.03906	7.9
129.07030	0.5
131.08539	0.8
133.04941	0.9
133.10127	0.8
135.11668	1.2
136.12003	0.7
137.05980	0.5
137.09564	0.4
137.13190	0.5
143.03384	5.8
143.08571	0.5
145.04959	1.0
145.10114	1.1
147.07985	0.3
147.11659	0.4
153.01813	100.0
153.02873	5.1
153.12650	0.5
154.02142	2.3
157.10107	0.9
159.08064	0.4
159.10188	0.4
159.11702	0.8
160.10291	0.3
161.09593	0.5
161.13300	0.4
167.07074	0.5
169.10141	0.6
171.02870	10.7
171.04338	0.6
171.11653	0.6
173.09621	0.4
173.13258	0.6
175.03754	0.3
175.11197	0.5
183.11700	0.6
185.13245	0.4
195.11690	0.3
197.13251	0.4
199.14711	0.4
211.14876	0.3
235.14804	0.4
244.14540	0.6
253.15965	0.4
259.16977	0.4
279.04810	0.5
297.06036	4.2
299.20212	0.3
315.07047	6.7
315.12717	0.4
316.07538	0.3
391.29944	0.6
395.29623	0.4
419.29324	0.7
436.88947	0.3
437.21970	2.1
437.30450	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	437.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
54.44744	0.4
55.05484	0.5
56.08072	0.4
59.04965	0.9
59.57094	0.4
61.02921	2.2
61.03166	0.4
63.81924	0.4
63.98865	0.4
68.16286	0.5
69.03423	7.4
71.04971	0.9
73.02881	1.1
81.03412	2.9
85.02894	7.1
85.06495	0.5
85.42233	0.5
87.04422	1.8
91.03932	0.7
91.05453	1.0
97.02868	4.9
99.04414	1.7
108.04469	0.6
109.02849	1.6
109.36028	0.4
119.23485	0.4
125.07087	0.6
127.03862	2.0
129.05479	0.6
130.04941	0.9
143.21983	0.5
145.04819	0.5
145.07646	0.6
146.08359	0.6
153.01814	2.8
166.12268	0.5
171.09056	0.5
173.10699	1.6
181.08730	0.5
183.09175	0.8
184.09840	1.8
185.10609	0.7
186.12770	1.4
187.08600	1.5
188.09270	0.6
191.03345	0.7
196.09915	1.5
197.10667	1.4
198.11484	2.4
199.08592	1.3
200.09372	1.3
201.10117	0.7
201.13890	4.9
211.12277	5.8
212.12907	0.5
213.10205	4.3
213.13828	3.2
214.10913	3.8
224.09387	0.9
227.11757	29.3
228.12541	62.0
229.13304	37.1
230.13641	1.7
239.11813	1.4
240.12599	1.8
241.10611	1.5
241.13313	1.8
242.10442	0.7
256.12021	1.1
257.12814	100.0
258.13147	6.3
275.13855	61.0
276.14120	3.8
304.83304	0.6
376.01370	0.5
419.18082	42.0
420.18369	3.2
437.19141	43.5
438.13684	2.3
438.19470	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.05508	17.0
57.03431	2.7
57.07053	5.8
67.05499	53.5
69.07059	21.3
69.29844	9.8
71.04978	7.2
74.22652	1.7
77.07396	1.5
79.05483	31.1
81.01222	1.6
81.07048	100.0
83.04974	3.8
83.08620	9.6
85.06536	8.4
91.05463	23.7
93.07038	38.4
95.04980	4.8
95.08597	50.1
97.06501	5.1
97.10149	3.7
99.08089	3.2
105.04479	2.2
105.07026	42.1
107.08581	45.1
108.08940	1.8
109.10152	25.1
111.08055	5.3
112.16429	1.6
117.07004	6.9
119.08569	58.5
121.10126	32.4
123.08109	2.1
123.11678	14.2
125.09611	2.7
129.06958	2.0
131.08540	15.7
133.10115	53.4
135.08038	1.8
135.11670	15.4
143.08542	4.7
144.09337	3.9
145.10115	40.3
147.11676	33.0
149.13249	19.7
151.11156	3.6
153.09099	6.7
157.10085	5.5
158.10933	1.8
159.11679	36.8
161.13239	24.6
163.14809	4.5
167.10628	2.3
171.11664	2.7
173.13257	14.2
174.14020	2.7
175.14804	12.8
177.09073	2.2
177.12791	3.1
177.16336	15.9
185.13257	6.3
187.13271	5.9
187.14813	18.6
189.16365	95.9
190.16736	4.5
191.17941	3.6
195.13791	2.3
199.14781	8.0
201.16356	32.4
202.16698	1.9
203.17928	44.6
204.18301	2.4
205.19562	4.8
212.15810	1.8
213.16373	3.3
215.17899	12.0
217.19450	2.4
221.19081	1.9
223.17245	1.6
225.16405	1.9
227.12433	1.7
229.19489	3.8
246.96507	1.6
247.16951	5.4
248.05801	1.8
249.18509	6.2
251.24174	1.6
253.19510	2.5
261.18405	2.1
269.22729	2.3
291.23770	2.0
295.24158	2.9
321.32791	1.7
349.28809	3.5
391.33536	7.3
395.29156	3.8
419.33273	2.1
437.19559	3.7
437.28729	25.4
437.34097	44.7
438.28992	3.0
438.34399	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81993	4.0
52.00111	3.6
55.05505	9.3
57.07068	43.2
62.73759	3.7
67.05492	17.8
67.60729	3.7
69.07066	30.3
69.07913	9.8
69.08321	20.7
71.08635	34.0
79.05495	5.7
81.07049	56.1
83.08596	14.7
83.13309	3.7
85.06152	4.1
85.10175	20.6
89.06031	60.4
91.05463	6.7
93.07047	26.9
95.08598	100.0
105.07039	24.4
107.08600	36.8
109.10138	48.8
119.08574	47.3
121.10155	28.4
123.11716	21.3
125.06052	4.0
129.06972	6.0
131.08569	12.9
133.08601	37.6
133.10117	32.5
135.11679	19.0
137.13223	12.7
137.85147	3.5
143.08537	5.3
145.10126	50.0
147.11673	31.5
149.13234	16.0
157.10110	10.1
159.11642	22.7
161.13268	22.9
163.14795	11.7
169.10098	5.5
171.11670	21.2
173.13243	20.7
175.14792	33.8
177.11200	10.9
177.16389	11.4
183.11674	8.4
185.13327	8.9
187.14815	11.3
189.16353	22.6
190.16829	3.7
191.17937	12.0
197.13229	8.8
199.14760	6.8
201.16338	30.4
203.17938	23.6
205.12244	4.2
211.14807	4.6
213.16422	13.2
215.17899	14.8
217.19408	6.5
225.16339	7.1
227.17900	8.9
229.19472	8.6
231.17366	5.1
239.14899	25.9
239.17871	15.5
241.19461	19.5
245.72945	3.5
247.16904	6.1
253.19499	8.3
265.19516	4.1
267.20926	7.7
269.22668	4.9
285.18439	10.6
287.20047	5.3
295.24252	6.6
299.19965	7.9
313.21313	4.8
335.27716	4.2
391.33557	25.6
419.34961	4.9
421.35159	18.1
437.34201	70.0
438.34406	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.0
55.05505	17.8
57.07092	5.0
67.05500	33.4
67.24335	2.1
69.07073	19.7
69.18981	12.0
71.08619	2.4
72.50671	1.9
78.64924	2.0
79.05479	14.0
81.03413	2.5
81.07050	45.5
83.04985	3.1
83.08603	10.5
85.06528	3.0
85.64658	2.1
91.05473	22.1
93.07042	24.9
95.04959	2.7
95.08601	55.7
97.06535	2.8
97.10188	4.2
105.07016	38.2
105.07642	3.1
107.08585	42.5
109.10155	28.7
111.08089	3.0
117.07052	7.0
119.08571	61.7
121.10133	31.4
123.08053	2.9
123.11717	8.6
125.09619	2.4
129.07011	3.5
131.08537	21.2
133.10121	49.5
135.11685	19.7
137.13245	4.0
143.08588	6.5
145.10114	37.1
147.11679	37.9
149.13258	9.5
151.11264	2.4
153.09145	4.2
157.10158	7.8
158.10936	3.6
159.11690	43.1
161.13219	22.8
163.11214	2.8
163.14839	6.3
169.10120	2.5
171.11713	5.1
173.09509	2.5
173.13251	19.8
174.14012	4.7
175.14830	24.8
177.16345	20.5
185.13289	5.0
187.14796	17.4
188.15135	2.3
189.16376	100.0
190.16856	3.7
191.10692	2.2
191.18018	7.7
199.14819	7.5
201.16373	49.9
201.18105	3.9
202.16815	3.6
203.17935	52.5
204.18304	2.4
213.16447	7.9
215.17929	31.8
217.19519	5.2
223.16859	2.1
227.12831	3.9
227.17891	2.8
229.19559	6.2
235.16997	4.6
241.19566	4.0
243.21196	4.8
247.16989	8.3
255.21155	3.3
349.29004	2.9
373.86594	2.1
381.27664	2.3
391.33591	11.6
437.19257	7.2
437.24988	3.4
437.34222	90.1
438.34604	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	438.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.5
70.28847	3.5
81.03425	3.1
85.02900	9.3
86.54426	2.2
94.23296	1.9
97.02863	3.3
97.74404	2.0
121.06479	2.1
136.05115	2.5
137.05945	3.6
148.05180	6.8
151.07533	4.6
154.06192	5.6
164.08313	2.6
164.91985	1.9
166.06134	2.7
167.06995	11.3
176.08430	2.2
177.05467	10.4
180.07736	2.9
181.08575	100.0
182.08888	4.1
191.06998	3.4
192.07787	38.2
193.05008	2.6
195.10159	5.3
196.07347	2.4
207.10136	2.7
208.07468	2.6
223.09622	29.4
225.11267	2.9
226.08389	3.1
241.10680	57.1
242.10869	2.8
271.32355	2.1
276.14252	5.5
277.03265	3.0
431.84375	2.0
438.13223	2.1
438.19070	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	438.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.8
69.03413	2.6
70.28622	1.9
70.28948	1.5
79.62937	1.5
81.03420	2.4
85.02907	9.0
86.14708	1.4
88.96984	1.6
98.23354	1.7
121.06472	1.8
137.05962	2.5
138.06653	1.4
148.05208	6.9
151.07481	2.9
154.06221	4.4
159.04402	1.3
164.08315	3.9
165.05414	1.8
166.06255	3.0
167.07056	12.2
169.08498	2.2
177.05453	14.2
179.06978	2.3
180.07785	4.4
181.08569	100.0
182.08917	4.0
191.07004	2.4
192.07780	37.5
195.10104	5.8
207.10168	4.7
214.38179	1.6
223.09622	34.3
225.11227	5.6
226.08389	2.9
241.10687	79.0
242.11079	3.4
294.70346	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01479	1.8
69.03405	3.7
70.28674	4.2
81.03413	2.8
84.08152	2.4
85.02912	11.1
97.02902	4.0
99.04507	2.0
109.02796	2.2
109.06474	1.9
114.70604	2.0
121.06489	2.0
127.03916	3.0
135.04501	2.0
136.05099	3.6
137.05989	3.2
148.05151	8.2
151.07498	4.6
153.01819	17.5
154.06183	15.9
164.08353	2.3
166.06255	2.4
167.07054	9.0
177.05473	12.7
179.07101	3.1
180.07784	4.0
181.08580	100.0
182.08946	3.3
191.07056	4.4
192.07809	45.8
193.08583	2.2
195.10150	6.4
204.74037	2.1
207.10213	3.2
223.09650	37.9
225.11211	4.5
241.10693	96.9
242.10916	5.9
315.06979	3.8
346.19955	2.0
438.14899	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	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01873	10.4
55.05504	8.7
57.07069	4.8
57.38708	2.8
67.05507	8.9
69.03417	20.0
69.07067	10.0
70.02926	3.1
71.04976	7.1
72.04499	15.9
73.02906	8.0
79.03984	2.5
79.05497	10.3
81.03412	18.9
81.07056	13.6
83.04971	10.6
83.08609	3.9
85.02902	20.0
85.06542	7.8
87.00887	2.8
87.08115	3.0
89.06020	17.0
90.05542	30.5
91.05480	10.6
93.07066	7.8
94.96522	2.6
95.04954	12.5
95.08610	11.3
97.02885	13.6
98.02424	12.0
99.04443	4.3
100.03973	5.8
103.07601	3.8
105.07002	14.8
107.08585	73.2
108.08923	3.5
109.02869	25.2
109.06537	4.2
109.10149	12.9
111.04471	3.9
111.08102	3.5
113.06029	4.3
116.03432	14.1
116.45589	2.8
119.08578	11.1
121.10112	13.8
124.07577	15.6
125.09620	100.0
127.03897	27.8
129.07120	2.9
131.08578	6.4
132.06573	7.4
133.10124	35.4
135.06592	4.1
135.08025	3.5
135.11684	3.0
137.05939	2.8
137.09581	17.2
142.08641	10.7
145.04993	4.8
145.10139	9.7
147.04375	3.4
147.11707	7.5
149.09601	4.2
149.13290	6.2
151.11122	3.6
155.10689	4.0
159.11711	7.8
160.09599	3.5
161.06061	3.9
173.13252	11.1
174.11281	5.3
175.14854	5.3
184.09721	21.7
187.14818	4.5
191.14267	17.9
198.07640	2.5
199.05948	5.1
201.16417	4.4
202.10741	65.6
211.09633	5.3
212.09116	2.9
217.07045	4.9
220.11752	24.5
229.19609	3.4
230.10162	7.9
231.04938	3.5
234.09734	10.6
255.95627	2.8
262.12888	14.0
310.12955	5.7
328.13861	28.9
329.14249	3.0
346.14944	8.8
364.16248	17.0
365.43335	3.1
391.94656	5.5
392.30457	3.3
393.31531	3.5
400.83148	2.8
414.95996	5.1
438.14240	19.0
438.30661	7.3
439.09650	3.0
439.15170	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	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01864	1.1
55.05512	1.6
57.75648	1.1
61.02916	1.6
67.05499	2.6
69.03423	7.0
69.07059	5.5
69.31821	1.2
69.32118	6.0
71.05017	1.3
71.08625	55.7
73.02911	2.1
73.54343	1.0
81.03429	5.0
81.07037	1.9
83.59646	1.2
85.02900	19.2
87.00822	8.3
97.02874	7.7
98.22718	1.3
99.04466	2.7
99.08086	100.0
100.08456	1.1
105.01874	6.9
109.02852	5.6
109.10191	1.4
113.49841	1.1
117.01865	1.2
119.08553	1.1
127.03895	10.9
129.12758	14.0
145.04942	3.4
155.08542	16.1
155.14285	3.1
156.08971	1.2
157.10097	1.0
159.02892	3.1
173.15363	58.3
174.15674	1.6
219.33105	1.0
438.20801	1.6
439.22763	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	438.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.8
57.03423	22.3
59.04995	6.6
60.41430	3.1
61.02921	4.5
65.03929	6.0
67.05498	98.5
67.80437	3.7
69.03423	83.0
70.48002	3.2
71.23344	4.2
74.68384	3.1
75.86425	3.2
79.05490	7.0
81.03408	5.1
81.07038	20.3
85.02893	62.4
87.04459	51.6
93.07047	4.1
95.08609	13.6
97.02882	72.4
103.03984	3.9
107.08553	6.2
109.02879	5.4
109.10139	100.0
111.04402	3.6
115.03127	5.6
115.03915	83.8
121.10104	5.5
127.03931	10.9
128.37788	3.4
133.04941	99.3
133.10103	5.1
137.06012	3.7
144.33557	4.2
145.04956	13.7
150.07614	8.3
153.01768	9.0
154.02122	3.8
163.06039	6.6
174.45158	3.8
175.10970	3.6
203.42784	3.9
217.09727	14.9
241.07062	6.1
259.08252	5.9
277.09290	5.6
411.89954	3.8
438.21021	4.7
439.14050	5.7
439.23083	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	438.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03181	4.3
51.91710	4.7
52.61926	5.2
57.07069	81.6
61.87298	4.6
63.45393	4.1
69.07069	15.6
69.13451	10.0
69.13851	25.0
71.08617	81.4
75.04474	5.5
83.49480	4.5
85.10168	48.6
87.04427	5.9
89.06022	100.0
98.22712	12.2
99.11712	5.6
111.11758	4.5
112.07586	12.5
113.13272	6.9
133.08589	70.2
147.62465	4.9
153.29626	5.2
177.11197	18.0
177.12584	5.3
189.09055	9.7
191.10597	8.6
232.61423	4.6
239.14868	62.5
262.17947	6.7
263.20160	7.8
421.35117	33.3
438.29822	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	438.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	80.6
67.93465	2.0
69.07053	7.1
69.56493	5.5
71.08630	65.4
83.08619	3.8
85.10177	38.5
87.04488	2.1
89.06026	100.0
97.10155	3.7
98.23384	3.3
99.11717	9.2
111.11699	3.5
113.13259	5.8
117.09095	2.1
127.14836	3.1
130.08713	1.8
133.08592	62.8
151.09660	6.3
177.11214	13.8
195.12289	3.8
221.13747	2.8
239.14873	45.9
241.21544	1.8
377.32605	1.9
421.35223	27.1
422.35565	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	439.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05415	0.8
69.06985	0.5
75.80992	0.5
79.05409	0.5
81.03307	0.9
81.06949	1.2
85.02779	1.0
91.05347	0.7
93.06908	1.0
95.08483	0.6
97.02771	0.5
97.06512	0.7
105.06914	1.2
110.05918	0.9
121.10011	0.7
124.07458	0.6
130.08510	0.7
133.10042	0.5
149.09511	0.7
157.99614	1.4
159.00528	16.0
161.05678	0.5
167.03070	0.6
185.04044	2.0
191.03130	3.6
201.01471	0.7
227.05113	1.8
232.37938	0.5
270.65103	0.6
271.04218	3.2
279.13742	0.6
321.05768	8.5
353.08334	2.0
363.06824	29.0
364.07083	1.8
389.04739	1.4
395.09354	9.3
407.05807	100.0
408.06039	4.8
439.08466	68.8
439.23444	3.5
439.28476	0.9
440.08749	3.8
440.22870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00866	0.3
68.67004	0.3
69.57259	0.5
69.57644	0.7
83.01104	0.7
84.01875	0.7
87.37062	0.3
95.01063	1.4
96.01868	0.8
98.23096	0.8
106.98859	0.3
112.01341	1.1
113.02118	2.7
126.02872	0.7
131.05005	0.3
153.01755	0.3
157.04723	0.7
185.04184	3.8
197.90286	0.3
201.03751	1.0
202.04300	0.5
202.05994	3.2
203.05278	0.6
222.68254	0.3
243.08499	0.3
259.07883	1.0
277.10483	0.3
321.68503	0.4
408.13974	0.4
424.13705	0.4
439.15765	100.0
440.16129	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27563	0.4
70.04990	1.5
78.75125	0.4
80.15756	0.5
84.01912	0.5
91.05479	0.7
95.01085	1.5
96.01852	0.8
112.01347	1.0
112.28610	0.4
113.02148	2.4
124.03980	0.7
127.03902	0.8
153.01886	0.7
157.04753	0.7
162.94484	0.4
167.03098	0.9
168.16838	0.4
185.04213	5.0
201.03610	1.0
202.04459	0.6
202.06007	4.0
203.05276	0.6
243.08513	0.6
259.08057	1.1
277.10483	0.5
280.39944	0.5
439.15833	100.0
440.15814	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	439.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11769	4.4
55.05500	17.2
56.96557	34.0
57.03422	6.8
57.07063	14.1
65.03921	9.0
67.05502	40.4
69.03416	32.3
72.05502	4.3
81.03415	18.0
83.04969	100.0
83.05436	8.4
85.02888	27.7
85.06532	58.4
85.06994	7.0
87.05150	4.5
89.03911	8.8
89.72211	4.0
91.05464	4.6
93.03436	9.7
95.04964	6.7
97.02856	20.7
97.17393	4.4
98.23467	8.6
98.97572	90.4
103.07565	72.1
107.04977	4.5
109.02881	14.0
110.97572	5.2
111.04409	49.1
116.98617	64.4
117.03333	6.3
121.02866	18.7
121.08608	56.2
127.03915	20.1
128.98553	10.6
130.93321	6.0
134.99648	25.9
135.04419	13.5
139.03883	66.2
145.02827	7.7
145.04947	5.4
146.99677	5.9
147.04390	8.6
153.01865	11.7
157.04927	37.7
158.99644	7.3
159.03343	5.3
160.77945	4.1
163.03896	49.9
172.94370	10.5
174.97621	8.4
177.00739	6.3
177.04279	5.4
190.95415	18.1
197.01129	5.6
198.19478	4.6
212.58116	4.3
217.07355	6.4
219.01849	6.0
219.50252	4.6
232.96506	12.7
234.99686	12.4
237.02925	12.2
246.91255	5.9
255.08755	5.1
256.96518	10.5
268.96808	5.4
270.07715	4.1
274.97479	87.2
277.00897	7.5
283.08099	14.8
290.97098	12.2
292.98480	41.5
300.02393	6.7
301.09149	30.3
307.01782	5.8
307.05194	10.5
309.08563	10.4
318.03555	6.1
319.10156	54.6
321.08597	7.2
325.02704	15.8
330.93375	9.5
339.09656	8.5
353.02249	10.6
355.00449	4.9
359.01236	5.8
367.06595	4.9
372.42819	5.3
389.00208	4.6
397.05215	8.8
398.97519	8.0
416.98636	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	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.01838	0.9
55.05513	2.6
57.03415	0.7
57.07054	0.4
59.04976	0.5
65.03918	0.6
67.05499	4.1
69.03070	0.5
69.03419	7.2
69.07059	2.3
69.30099	2.5
73.20588	0.5
77.03898	0.6
79.05117	0.5
79.05492	6.3
80.02803	0.5
81.03377	2.0
81.07052	6.1
83.04960	3.4
83.08601	1.1
85.02891	2.6
85.06522	0.7
87.00790	1.9
87.48707	0.4
91.05474	6.1
93.07014	4.0
95.04961	4.2
95.08599	2.8
97.02867	1.9
97.06522	1.0
98.09693	0.6
98.34040	0.4
99.04425	0.6
105.01834	1.0
105.04475	0.6
105.06351	0.9
105.07019	10.8
107.04943	4.0
107.08582	17.8
109.02849	1.7
109.06496	2.9
109.10140	8.4
111.04394	0.7
111.08058	0.4
115.03923	0.5
115.05453	1.2
115.24773	0.4
117.06982	2.3
119.06068	0.9
119.08573	4.4
121.06494	2.2
121.10136	12.1
122.01081	0.5
122.07288	6.4
123.04356	0.5
123.08040	1.5
124.86178	0.5
125.05943	0.5
127.03909	2.8
129.06967	0.7
131.08595	3.6
133.10115	100.0
134.10431	3.3
135.08038	6.4
135.11682	1.6
137.06013	1.0
137.09602	51.7
138.09952	1.6
143.08501	1.3
145.10117	1.8
147.02908	0.5
147.08052	0.5
147.11632	2.4
149.09590	6.0
149.13225	8.0
151.11180	0.6
155.14265	0.6
157.10078	0.9
158.10922	1.0
159.08060	0.5
159.11754	0.8
161.05930	0.6
161.09656	1.5
161.13289	0.5
163.11185	0.9
163.14828	1.9
171.11754	0.7
173.09680	0.9
173.13245	6.9
175.11168	0.8
185.09793	0.5
185.13211	0.7
187.11160	0.6
189.09096	0.5
189.12744	1.0
191.14287	34.3
192.14684	1.0
195.11497	0.5
198.14955	0.8
201.12709	1.1
203.14290	0.6
207.13744	0.5
231.05022	1.0
231.13943	0.7
245.56805	0.5
335.18790	0.9
358.96405	0.5
365.58035	0.5
403.17490	0.7
421.18518	0.7
439.23367	15.6
439.32629	1.4
440.23990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.8
57.03431	1.0
59.56563	0.6
65.58941	0.6
67.05479	1.2
69.03407	1.4
69.07066	5.7
71.04983	1.4
71.21505	0.6
73.02895	0.9
79.05495	1.5
80.75961	0.8
81.07047	1.4
85.02891	4.5
85.93263	0.6
91.05437	0.8
93.03156	1.2
93.07019	1.8
95.08582	0.9
97.02894	1.8
105.07041	1.2
106.27976	0.6
107.08578	2.3
109.10139	0.6
111.11715	1.9
119.08603	0.9
127.03920	1.1
133.04955	0.8
145.04985	1.1
163.05988	1.0
189.12480	1.1
191.10510	1.1
201.03682	0.9
203.05235	76.1
204.05597	1.2
259.16656	15.3
260.16959	0.7
261.18146	2.9
263.14304	0.9
299.16586	1.0
327.19620	0.8
439.22986	100.0
440.23276	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	439.2302
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
69.03425	0.4
69.07059	0.8
70.47996	0.7
70.48335	0.3
73.02903	0.8
85.02889	0.7
95.01089	0.9
96.01917	0.4
97.02772	0.6
113.02117	0.5
115.03930	0.3
128.04472	0.3
169.04698	0.6
186.05013	0.8
203.05255	3.1
259.16660	2.1
277.17725	1.6
369.18787	4.6
371.43915	0.3
399.66077	0.4
439.23001	100.0
440.23361	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77451	0.8
53.03938	2.5
55.01868	1.6
55.05257	1.3
55.05509	14.6
55.98021	0.7
57.03427	6.0
57.07069	1.1
59.04996	4.0
63.36251	0.7
65.03927	3.1
67.05498	100.0
67.66953	0.7
69.03426	2.4
69.07059	4.6
70.12476	1.4
70.12811	1.8
71.04989	6.7
71.48878	0.8
72.30638	0.7
72.36348	0.8
73.25199	0.8
79.05482	14.4
80.05863	0.9
81.03406	32.0
81.07050	25.5
83.04969	5.4
83.08614	14.4
85.02899	18.4
85.06547	3.5
87.74993	0.7
91.05471	19.8
91.60973	0.8
93.07035	11.0
95.04961	15.9
95.08592	9.5
97.02908	1.6
97.06537	1.6
97.10171	1.8
99.08048	1.1
105.07015	13.8
107.04950	2.4
107.08581	5.9
109.06500	2.1
109.10145	63.3
110.10481	1.5
111.04423	1.6
111.08085	8.0
113.05997	2.1
114.08236	0.8
117.07021	1.9
119.04905	0.9
119.08561	14.8
121.10159	5.3
123.08035	1.7
123.11727	1.4
125.09628	0.9
129.06960	4.5
131.08553	7.0
131.12614	0.7
133.10147	4.3
137.09575	3.8
142.07797	1.6
147.08076	2.1
147.11688	7.9
149.09633	4.0
155.10683	3.3
157.10107	6.4
165.12747	1.9
173.11720	15.5
175.11148	7.4
183.11757	0.9
193.12228	29.1
193.13969	1.6
211.13280	30.4
212.13655	1.4
229.14323	1.6
267.15887	2.0
285.16495	0.9
421.25677	0.8
439.26883	51.5
440.27158	5.4
453.85690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01860	1.9
55.05508	14.5
55.85656	0.8
57.03429	6.9
57.07069	1.4
59.04999	4.6
65.03926	3.6
65.45351	0.8
67.05498	100.0
68.05817	2.0
69.03415	3.2
69.07069	7.2
69.17348	1.1
69.17645	5.8
71.04984	6.0
72.11785	0.8
78.17004	0.8
79.05481	14.1
81.03410	27.3
81.07049	30.7
83.04981	7.4
83.08610	17.0
85.02894	15.7
85.06531	3.6
91.05470	28.3
92.05865	0.9
93.07035	15.1
95.04962	15.3
95.08586	13.5
97.02876	1.3
97.06506	2.4
97.10150	2.9
97.65059	0.8
98.23445	1.5
99.08084	1.1
101.19666	0.9
105.04545	1.1
105.07021	14.0
107.04948	3.6
107.08575	6.8
109.06513	2.4
109.10146	68.7
110.10464	1.1
111.04392	1.6
111.08068	10.3
113.06030	2.2
115.05442	1.3
117.07000	2.4
118.52057	1.0
119.08570	16.8
121.06487	0.9
121.10123	4.8
123.08048	2.3
125.09616	2.1
129.06956	4.5
131.08551	5.6
133.06488	1.6
133.10121	6.8
135.08025	1.2
135.11673	2.0
137.09610	5.7
142.07761	1.4
145.10191	1.3
147.08031	2.2
147.11681	8.7
149.09615	3.7
155.10683	3.3
157.10109	8.0
159.11684	1.7
161.09570	1.1
163.11203	1.1
165.12697	2.2
173.11734	16.8
173.13110	1.0
175.11162	7.0
177.12839	1.3
191.14252	1.2
193.12222	29.6
193.13976	1.7
211.13289	27.8
212.13666	1.5
217.12029	1.2
229.14325	2.2
267.15973	2.8
269.13455	1.8
285.17068	1.2
348.29752	0.9
358.71384	0.8
375.25208	2.0
421.25665	2.3
439.26862	45.8
439.31363	1.9
440.27298	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	439.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01861	1.1
55.05503	16.2
57.03434	6.6
57.07076	1.1
59.04994	3.9
65.03940	3.5
67.05499	100.0
68.05833	2.1
69.03420	2.2
69.07071	4.2
69.93111	2.0
69.93473	0.8
71.05002	5.4
71.45098	0.7
73.36956	0.7
79.05486	15.0
80.06260	0.7
81.03408	30.8
81.07050	25.7
83.04980	6.9
83.08614	18.1
85.02899	17.4
85.06528	3.2
91.05473	20.6
92.05791	0.8
93.07041	9.2
95.04967	12.5
95.05543	1.4
95.08598	9.6
97.02906	1.4
97.06522	1.6
97.10168	2.0
99.18384	0.6
105.07024	11.3
107.04945	2.2
107.08591	6.0
109.06519	2.1
109.10148	68.7
110.10484	1.3
111.04457	1.2
111.08064	10.1
113.05986	1.6
117.07016	1.7
119.08563	13.9
121.06483	1.4
121.10126	5.1
123.08042	0.9
123.11755	1.0
125.09646	1.6
129.06995	4.5
131.08572	4.9
133.06461	1.0
133.10092	3.7
137.09599	3.8
145.10115	1.0
146.05849	0.7
146.32332	0.6
147.08044	1.3
147.11671	7.3
149.09604	2.9
155.10669	5.2
157.10112	7.3
165.12750	2.4
171.12047	0.7
173.11731	16.8
173.13239	0.8
175.11180	8.0
193.12224	35.4
194.12613	1.6
211.13272	36.8
212.13643	1.2
229.14330	1.0
267.15952	1.7
268.90732	0.8
285.17078	1.1
299.03741	0.8
369.17886	0.9
370.35428	0.7
387.81311	0.8
421.26022	1.0
439.26889	64.7
440.27063	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05500	7.0
61.38117	2.4
65.03956	3.1
67.05493	15.0
69.07065	10.1
79.05489	10.7
81.07051	20.4
83.08617	5.3
91.05466	23.7
93.07049	17.7
94.82973	2.6
95.08601	20.3
98.03969	2.6
105.07026	22.2
107.04918	3.3
107.08584	100.0
109.06511	38.7
109.10144	32.9
110.70417	2.3
119.06075	3.2
119.08553	25.2
121.06482	48.8
121.10126	21.9
123.08041	2.9
123.11723	6.7
131.08580	5.2
133.10088	18.0
134.86356	2.5
135.08092	2.9
135.11671	12.8
145.10114	6.1
147.11684	9.0
149.09598	80.7
149.13239	6.9
157.10046	3.0
159.11703	6.7
161.13252	5.8
173.13268	3.9
175.14810	7.1
177.16402	3.8
185.13297	3.0
187.14795	4.7
189.88765	2.7
191.17966	7.0
199.14873	3.5
201.16457	3.3
213.16376	4.3
231.17465	4.1
238.55319	2.5
253.19397	2.6
283.05765	2.4
299.40198	2.4
315.26743	3.8
357.20215	3.6
421.34558	8.0
439.19827	7.1
439.35660	62.4
440.36240	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	2.1
55.01861	10.6
55.05501	14.1
57.03431	16.7
60.98282	2.2
61.02921	11.8
67.05495	3.7
69.03425	26.6
69.07063	91.7
69.46296	9.3
71.01338	4.6
71.04977	3.6
73.02917	28.2
79.98076	2.1
81.03427	4.2
81.07043	3.1
82.56480	2.6
83.04968	2.4
85.02900	86.0
91.03970	4.0
91.05448	2.8
93.07046	5.3
95.08622	4.3
97.02894	34.6
97.06532	8.7
99.04466	3.6
103.03905	3.2
107.08607	5.9
109.02874	5.4
109.10138	2.7
111.11725	36.8
115.03931	17.2
119.08572	4.7
121.10148	3.8
123.11741	2.3
126.57500	2.1
127.03919	21.8
128.93811	2.4
132.06543	3.4
133.04971	22.3
133.10117	2.7
145.04942	29.0
145.10081	4.3
150.07587	3.5
157.10143	2.2
159.11586	2.7
163.06007	17.1
187.14844	2.5
203.05264	17.2
204.05655	11.2
215.07001	4.0
231.10146	3.1
241.06979	2.9
248.42213	2.4
259.09659	8.0
260.17075	4.5
261.18253	4.1
262.14142	2.3
262.18585	6.7
423.25391	4.1
440.23358	100.0
440.32468	4.4
441.20300	15.6
441.26144	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	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.8
57.03437	25.2
59.05001	5.5
61.02919	3.4
67.05496	4.7
68.98465	3.0
69.03070	6.0
69.03424	88.7
69.06711	4.5
69.07064	63.5
70.66664	3.3
71.01331	3.1
73.02897	3.5
73.62669	2.4
81.03391	5.6
85.02404	5.2
85.02896	82.8
87.03958	4.8
87.04463	57.8
87.04997	3.4
91.03934	4.0
95.08553	2.7
97.02885	70.5
99.04457	4.8
103.03967	3.3
105.07021	2.6
109.10182	3.5
111.04446	3.2
111.11707	27.6
115.03925	88.4
127.03877	11.7
133.04955	100.0
145.04944	16.1
150.07613	11.9
156.74513	2.8
163.06001	7.5
164.90385	3.2
169.04890	2.7
243.15813	3.4
440.23312	4.3
440.32394	6.5
441.24649	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	441.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81122	0.9
56.96554	19.7
61.34654	1.1
68.57424	0.9
69.03406	1.6
69.35354	0.9
69.92932	2.0
69.93295	1.7
72.95730	0.9
76.34073	1.0
81.03421	1.1
84.96037	7.3
85.02877	2.0
94.31703	0.9
98.56693	1.0
98.97569	100.0
99.97923	1.1
101.00863	1.3
110.96793	1.2
110.97558	29.9
112.99123	4.8
116.98610	37.7
119.01914	1.2
124.99106	3.9
127.00659	1.2
127.19884	1.0
128.98590	28.6
131.00151	3.2
134.99638	9.9
140.98557	9.9
143.00163	13.0
146.99634	12.2
149.01176	1.9
152.98587	4.5
153.01753	1.7
155.00069	1.2
158.99635	33.5
161.01195	12.2
163.03914	1.6
164.15538	0.9
165.00702	1.5
170.99626	22.6
173.01205	4.5
177.00685	30.8
179.02260	3.0
182.99612	16.6
189.00694	24.4
189.02423	1.2
191.02266	1.9
193.01694	1.5
195.01746	3.0
200.02298	0.9
201.00677	51.1
207.01709	5.8
213.00688	3.7
219.01736	47.9
231.01790	4.1
232.04266	1.6
233.03136	1.5
237.00681	2.6
237.02769	28.2
242.03424	1.1
243.01750	16.9
249.02637	1.8
250.90256	1.4
255.01630	3.1
255.03854	6.3
261.02792	75.3
262.03061	2.5
273.02725	7.0
277.03284	1.6
279.03833	43.3
280.04263	2.0
291.03815	14.5
297.04993	2.9
301.00201	1.2
303.01242	5.4
303.04263	1.3
309.04602	1.1
319.01163	2.6
321.04892	33.8
322.05295	2.0
323.06451	1.9
323.09866	1.2
333.04868	3.0
337.07791	4.4
351.05984	5.4
355.09351	2.1
381.06268	4.2
394.99121	1.2
397.10898	2.0
399.08569	4.8
441.09277	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	441.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45441	0.9
69.38705	4.2
83.13313	1.0
83.66775	0.8
101.39229	0.9
116.53580	0.8
137.86020	0.8
177.01620	3.3
192.03905	24.3
193.04701	10.5
227.05272	2.3
271.04218	3.1
355.09940	4.8
397.11020	40.5
398.11285	2.5
441.09985	100.0
442.10388	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	441.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02049	0.7
56.96552	0.9
63.74156	0.7
69.39540	3.2
85.71726	0.6
98.97569	3.4
110.97533	1.1
116.61932	0.7
127.00089	0.9
128.98601	0.7
131.40686	0.7
177.01619	2.8
192.03911	20.5
193.04680	8.0
211.02699	0.7
216.53636	0.7
219.01732	1.1
227.05325	2.0
237.00687	1.4
237.02826	1.1
255.01675	1.4
271.04193	3.9
331.71066	0.7
337.05722	0.8
355.10074	4.9
365.08694	0.9
379.09930	1.5
381.04935	3.8
397.11011	39.5
398.11493	2.2
399.06042	1.8
409.07687	0.9
413.41064	0.7
441.10004	100.0
442.10284	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	441.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	6.9
69.92265	7.5
69.92596	5.3
70.06593	12.1
72.38153	4.0
93.49056	3.5
97.96784	4.7
98.22820	5.6
98.97019	5.5
98.97562	22.9
100.11239	9.0
102.75056	3.5
110.97569	4.8
116.98640	8.1
128.61440	3.9
131.04878	6.5
177.00615	6.5
217.95065	4.3
219.01756	9.7
237.02870	12.6
242.10300	3.9
260.11118	6.1
302.12100	4.3
303.01773	4.4
327.07397	23.6
359.00800	6.9
370.15109	4.0
395.02737	9.6
413.03833	10.3
423.14133	14.5
423.33163	9.6
441.12323	100.0
441.17322	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70985	2.8
56.05392	3.2
56.96572	16.4
62.34194	2.8
67.05495	6.2
68.03620	3.3
69.07059	4.0
70.70232	5.6
79.05474	5.1
81.07047	17.5
84.96029	3.9
88.59609	3.2
91.05447	5.8
91.47842	3.0
93.07060	4.5
94.95513	3.0
95.08591	12.4
98.97575	100.0
103.23266	3.8
105.07021	7.5
109.10154	6.7
110.97569	8.7
112.99123	19.8
116.98619	31.6
119.08567	3.4
120.13416	2.9
121.10114	3.4
128.98593	8.6
131.00163	17.0
131.08595	3.4
133.10138	4.3
134.99611	3.5
135.08040	3.7
140.98563	3.0
145.10135	4.7
149.01161	8.4
155.08620	4.1
157.10167	6.5
158.99637	30.5
173.01224	18.0
177.00661	19.8
189.12587	3.3
191.02277	11.6
201.00696	4.9
219.01703	20.2
237.02795	11.4
244.99539	4.2
253.02348	4.5
253.11102	4.6
256.56250	3.3
282.61392	3.5
303.01266	7.9
305.02658	3.4
355.14310	39.4
373.15320	33.1
396.16891	3.4
397.15308	23.3
441.15070	35.0
441.21021	15.1
441.26337	5.7
441.33600	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	441.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90400	0.3
56.25327	0.3
61.72300	0.3
69.38954	1.5
82.03951	0.3
83.01083	0.4
84.01881	0.5
95.01084	1.2
96.01865	0.6
109.30495	0.3
112.01329	0.8
113.02113	2.1
127.02168	0.3
127.03918	1.9
153.01819	1.1
168.15988	0.3
185.04196	3.1
201.03665	0.7
202.04514	0.3
203.05252	0.5
204.07516	2.0
205.08522	0.4
243.08347	0.3
259.07846	0.7
279.11975	0.9
402.53946	0.4
441.17264	100.0
442.17609	6.7
442.23541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
50.51714	0.8
56.96571	1.3
69.46635	3.3
70.06599	3.0
98.97562	1.3
116.98652	1.7
119.25572	1.0
127.03951	3.7
152.00461	0.9
153.01875	3.9
185.04239	2.0
192.03970	2.8
199.10976	1.3
221.86401	1.0
237.02821	2.8
237.06107	1.6
247.09406	1.0
278.11353	1.3
279.12033	8.7
348.19858	1.0
352.58829	1.0
379.09756	1.0
391.71555	1.0
397.11194	2.8
435.49911	1.0
441.10468	5.3
441.17380	100.0
442.17752	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	441.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
59.04996	15.8
67.05497	3.7
69.03423	3.7
69.07059	2.7
70.06590	4.7
71.04991	1.9
79.05484	4.8
81.03408	1.8
81.07041	6.0
83.04981	5.1
83.08620	3.7
91.05460	5.8
93.07010	6.9
95.04970	3.0
95.08588	6.3
97.06502	2.4
105.07027	6.7
107.08595	5.5
109.06512	5.0
109.10148	2.4
111.04464	1.4
111.08066	3.0
112.07603	2.4
117.07033	2.4
119.08578	5.8
121.06489	3.5
121.10171	2.6
123.08067	3.6
124.07547	1.4
128.06242	3.1
129.06992	2.6
131.08578	7.9
133.10106	4.2
135.08055	5.0
137.05948	2.1
137.09627	1.9
140.07112	1.5
141.06956	1.6
143.08531	6.1
145.06471	1.5
145.10095	7.8
147.08034	4.6
147.11726	1.4
149.09610	5.2
150.02695	1.4
151.11169	2.2
155.08539	2.7
157.10095	4.6
158.07274	1.8
159.08072	2.6
159.11708	3.9
161.09612	5.2
163.11160	2.0
164.07036	2.1
167.19551	1.3
169.10159	3.7
171.08034	2.0
173.09601	11.7
173.13214	6.6
175.11176	3.4
181.10088	1.4
182.10869	1.1
183.11707	2.6
185.04219	2.2
185.09630	2.2
185.13248	3.7
187.11238	1.3
189.09120	4.3
191.10596	7.2
192.09308	1.1
193.10292	1.8
193.12053	4.2
195.11743	2.7
197.09612	1.9
197.13225	3.3
199.14784	1.4
201.12724	1.7
203.05244	2.4
207.10011	1.4
207.11786	2.3
209.11725	3.1
211.11177	3.0
211.14885	1.8
213.12730	3.6
215.14343	2.9
221.13293	1.8
223.14748	1.6
225.12737	2.7
227.14270	2.9
231.13814	2.7
233.13257	1.9
233.15408	2.7
235.14958	2.0
237.12817	1.7
239.14162	1.6
243.04782	11.9
243.13777	1.4
245.06293	4.6
249.14844	2.7
251.14313	2.4
253.15863	1.6
261.08716	3.7
265.15948	2.1
265.19290	1.4
271.04062	2.0
279.15564	1.5
281.15466	1.9
283.16913	2.1
287.03705	78.9
288.04169	2.3
289.05261	43.5
299.16479	2.4
301.18024	4.1
303.09702	4.4
303.13055	1.2
307.17068	1.4
311.20096	3.8
329.21100	5.3
335.19977	2.1
339.19522	2.5
353.21014	3.8
357.20563	1.8
365.20944	1.5
381.24475	1.4
383.22125	3.0
387.22986	2.2
395.25824	1.3
397.18335	11.8
405.24170	4.2
423.24872	11.6
441.17224	100.0
441.26254	51.7
442.18600	7.0
442.26477	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
59.05002	4.1
61.70625	0.3
67.05475	0.8
69.03411	1.0
69.07044	0.9
69.80635	1.4
71.13675	0.4
78.04539	0.4
79.05478	1.2
81.03413	0.4
81.07039	1.7
83.04977	1.2
85.44179	0.4
86.36580	0.4
86.84068	0.4
91.05481	2.1
93.07034	3.2
95.04965	1.0
95.08598	1.8
97.06535	0.8
98.22798	0.6
105.07024	2.6
107.04941	0.5
107.08603	2.5
109.06505	1.7
109.10138	1.0
111.08085	0.6
111.72088	0.4
117.07024	1.2
119.04893	0.4
119.08577	1.9
121.06514	1.4
121.10094	0.9
123.08060	1.7
128.06242	0.5
130.07753	0.5
131.08562	1.9
133.10136	1.1
135.08049	1.2
135.11649	0.5
137.05936	0.5
141.06969	0.4
143.08549	1.5
145.10126	2.2
147.08055	1.4
147.11617	0.5
149.09615	1.5
155.08537	0.8
156.09418	0.4
157.10129	1.2
158.07318	0.5
159.08095	0.9
159.11661	0.7
161.09596	1.6
163.07501	0.6
163.11168	1.0
167.06935	0.4
169.10107	1.0
171.08105	0.6
171.11746	0.7
173.09619	2.6
173.13237	0.5
175.11150	1.3
181.10078	0.9
183.11722	1.2
185.04176	0.7
185.09637	0.8
185.13264	0.8
187.11166	1.0
189.09052	0.7
191.10635	2.5
193.10333	0.8
193.12053	2.9
195.11746	0.5
197.13274	0.9
199.11273	0.5
209.11642	0.9
211.11183	0.6
213.12779	0.7
215.14372	0.7
221.13235	0.5
225.12782	0.8
225.16417	0.4
227.05275	0.7
227.14174	0.8
231.13835	0.9
233.15352	0.8
235.14798	0.5
237.12733	0.5
239.14290	0.6
243.04860	0.9
245.06287	1.5
251.14374	0.9
263.14468	0.5
265.15836	0.8
267.17636	0.4
267.47455	0.5
271.04315	0.9
279.15964	1.0
281.15341	0.5
284.17441	0.4
287.03741	2.4
289.05325	12.2
290.05655	0.4
301.18005	0.6
311.23737	0.4
321.18655	0.5
337.16229	0.6
339.19714	0.4
340.55673	0.4
347.20099	0.7
355.17233	5.7
365.21222	0.6
379.17270	3.3
383.22272	0.6
387.22736	0.5
397.18304	38.0
398.18619	2.4
405.24313	1.5
423.16299	10.3
423.25070	4.2
441.17285	100.0
441.26193	21.9
442.17545	6.3
442.26651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48784	2.1
60.05648	13.2
62.58685	2.2
66.92722	1.8
69.03419	7.8
70.06583	32.2
71.40905	2.5
81.03430	6.1
84.03019	2.2
95.06059	3.0
97.07655	2.6
98.06067	3.3
99.04455	4.6
100.02504	4.7
102.04038	6.3
108.03979	1.9
112.03619	1.7
112.08697	2.6
116.07090	9.9
118.03516	11.3
118.04598	3.7
120.05016	2.4
127.03243	2.5
130.09779	7.0
136.04539	9.4
141.05106	7.6
142.03430	2.7
143.02792	2.4
143.06595	12.6
144.05043	3.3
151.04793	3.2
152.06731	3.3
153.05112	2.9
155.06622	11.8
156.05055	4.7
157.10820	2.3
159.06169	9.1
161.07713	20.3
169.04527	2.8
169.09375	6.8
171.06136	2.5
171.10933	13.8
172.09348	5.8
173.07733	28.2
175.11896	25.6
183.06104	2.8
187.05634	29.8
187.10454	3.8
188.05748	3.3
189.11955	12.5
197.08734	3.6
205.06711	14.2
208.09169	2.9
210.10762	2.2
212.08743	24.7
215.09880	22.3
216.08290	12.0
220.09291	3.8
221.07767	2.6
222.10893	6.1
223.09344	3.0
226.10333	8.0
228.09729	2.2
230.09874	36.8
231.08205	4.9
233.10999	9.0
234.10924	3.1
237.12019	9.2
238.10295	19.9
239.08809	7.2
240.11937	9.3
247.10216	2.1
248.08615	2.7
255.09317	2.5
265.11380	18.1
266.09909	3.8
267.08490	8.4
273.10559	7.3
281.11096	2.3
283.12476	84.9
283.15518	4.2
284.10553	13.0
285.09344	8.0
294.13971	3.5
299.82172	2.3
307.13394	2.1
308.12177	2.6
314.69064	2.3
319.01218	2.4
325.14651	45.6
326.12872	21.0
343.06152	5.9
343.15701	80.3
344.14404	4.5
381.16275	10.8
423.18301	18.5
424.18701	3.6
441.09634	4.7
441.19431	100.0
442.19458	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	441.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96693	1.1
55.05496	1.2
56.96555	6.3
58.68777	1.3
60.05646	15.3
60.56767	1.2
69.03422	12.0
69.08202	3.7
69.08619	6.2
70.06587	40.9
70.75854	1.1
71.05017	1.3
72.08159	1.7
73.47597	1.2
73.71500	1.4
80.05027	2.2
81.03409	7.4
83.00931	1.4
84.02989	1.6
84.96011	2.0
85.07636	1.5
97.07641	2.7
98.06030	2.7
98.97580	23.7
98.98170	2.4
99.04448	5.2
100.02484	2.8
101.00884	1.8
101.01996	2.3
102.04034	3.2
110.97569	5.7
112.03616	1.7
112.08727	4.5
115.45540	1.4
116.07089	10.5
116.98605	10.0
118.03520	4.8
118.04668	3.3
119.01904	2.8
127.92130	1.4
128.98590	6.7
130.09789	5.1
132.05026	1.4
134.99669	3.0
136.04599	4.1
140.98598	1.9
141.05061	6.1
142.08293	4.3
143.00108	3.0
143.06624	8.9
144.05103	2.9
144.73984	1.4
145.03505	1.7
146.99599	3.6
147.04443	1.4
152.06670	2.7
153.01843	3.0
154.08275	2.3
155.01874	2.3
155.06631	12.9
156.05052	2.8
157.03456	2.2
157.10887	2.8
158.09253	5.5
158.99622	10.0
159.06172	4.8
160.09364	1.7
161.01277	3.8
161.02980	2.7
161.07741	9.7
162.06136	1.3
168.06229	2.4
169.04605	2.0
169.09361	5.9
170.07755	2.3
170.99658	6.3
171.06178	3.1
171.10913	17.3
172.09290	7.2
173.07722	31.3
174.71429	1.3
175.09363	1.4
175.11882	31.3
177.00694	9.7
180.06236	1.7
182.07814	1.6
182.99672	3.2
183.06116	2.4
187.05679	17.6
187.10390	4.3
189.00728	5.2
189.02333	1.6
189.10669	1.7
189.11995	16.9
192.03972	3.2
195.09834	1.6
197.08871	4.9
198.07298	3.6
200.08966	2.2
201.00717	13.1
201.07393	1.6
205.06656	10.0
207.01749	2.0
208.09344	2.9
209.49159	1.2
210.10809	1.4
212.08781	28.5
213.09001	2.7
213.10788	1.6
214.03235	4.1
215.09894	25.8
216.08269	8.9
216.10065	1.4
219.01744	11.5
220.09369	4.9
221.07715	3.5
222.10875	8.6
223.09238	2.9
226.10400	5.4
227.01138	1.5
228.09485	1.7
229.05544	1.3
230.09857	50.6
231.08189	4.5
231.10161	4.1
232.04155	1.8
233.10945	9.4
234.10884	3.5
235.10455	2.0
236.45860	1.3
237.02760	7.5
237.11954	8.9
238.10338	26.1
239.08667	3.1
239.10791	1.6
240.11871	7.6
243.01784	5.8
248.08817	2.1
253.05559	1.8
253.11194	1.6
255.03864	2.5
255.09355	2.5
256.11487	3.0
261.02789	18.9
265.11432	21.4
266.09653	7.2
267.08331	4.1
271.06656	4.4
273.02740	1.9
273.10352	8.7
276.12891	1.7
279.03864	17.4
280.04099	1.6
281.10983	2.8
283.12500	94.2
284.10519	15.7
285.09076	2.0
291.03983	4.0
292.04236	2.7
308.11893	6.7
309.10458	3.8
319.01169	4.7
319.15967	1.4
321.04886	10.0
325.14685	54.3
326.12854	22.3
340.06287	2.8
343.15726	94.8
344.15454	8.4
345.14133	2.9
355.09113	4.3
381.16156	8.5
397.10986	6.0
399.08304	2.5
405.17227	4.0
423.18417	21.7
424.17957	2.0
441.10251	21.8
441.19391	100.0
442.19525	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	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
69.22465	2.3
86.45639	0.4
98.23283	1.6
109.10107	0.7
131.21724	0.4
151.07535	0.9
162.99658	0.4
263.54333	0.4
275.03189	0.4
289.08142	0.4
291.10037	0.6
306.47296	0.4
322.12045	0.8
334.11996	0.8
352.12985	2.1
389.85559	0.4
405.13339	0.7
423.23520	0.5
441.24557	100.0
442.24890	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2454
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
55.05505	0.6
57.03436	1.0
61.02923	0.4
67.05500	0.4
69.03425	2.7
69.07047	2.1
70.03760	0.6
70.07395	0.5
71.04966	0.3
72.80225	0.3
79.05509	0.4
81.03426	0.5
81.07059	0.8
85.02892	2.7
85.03345	0.3
85.11528	0.3
86.03244	0.6
87.04449	1.6
91.05453	0.4
93.07072	0.5
95.08601	0.8
97.02885	2.4
97.71297	0.3
98.03232	0.3
98.23489	0.8
105.07027	0.8
107.08601	0.6
109.10131	0.5
111.08067	0.3
111.11690	0.6
112.12021	0.3
115.03915	2.4
116.04266	0.7
119.08606	0.6
121.10233	0.3
130.07829	0.4
133.04938	2.2
134.05292	1.0
143.08553	0.4
145.04926	0.5
148.61063	0.3
150.07637	0.5
155.08508	0.3
159.11681	0.3
173.09663	0.4
173.63416	0.4
189.09142	0.3
263.86954	0.3
301.17892	0.7
327.19476	0.3
423.25027	1.1
441.24530	100.0
442.24869	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	441.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75806	1.0
55.01872	6.6
55.05510	12.4
57.03427	1.4
59.04985	1.5
67.05495	15.0
69.07059	4.8
69.56426	1.0
71.05003	1.2
79.05486	18.3
79.53627	1.2
81.07046	15.8
83.08628	4.6
91.05472	12.1
93.07030	9.4
95.04951	2.8
95.08599	14.0
97.10158	4.6
98.22646	2.1
98.97585	2.4
105.07019	12.6
107.04964	2.9
107.08589	9.3
109.06458	1.9
109.10155	4.5
111.08048	1.5
115.05449	3.0
116.98576	1.1
117.07030	8.9
119.04922	2.1
119.08546	5.7
121.06482	10.8
121.10169	4.4
123.08086	2.7
125.09629	2.2
126.69785	1.0
128.06233	4.4
129.06985	15.9
131.04904	12.3
131.08565	12.5
131.09474	1.6
133.06470	6.5
133.10147	1.9
135.08093	2.3
140.27751	1.2
141.06985	5.6
142.07793	1.0
143.08560	10.0
144.05710	6.0
145.06471	92.4
145.10152	3.2
146.06818	3.1
147.08046	6.1
153.07040	2.1
154.07823	1.4
155.08540	9.7
157.06493	14.0
157.10081	5.3
159.04472	2.2
159.08028	9.2
159.11685	3.6
161.05949	7.6
161.09648	1.6
165.06970	1.5
166.07758	1.4
167.08504	5.3
169.06480	7.7
169.10075	6.2
170.07231	1.4
171.08018	18.3
171.11757	1.1
172.08551	1.2
173.09717	2.1
175.11172	1.3
179.08450	2.3
181.06511	3.2
181.10110	5.6
182.07172	1.1
183.08070	8.8
183.11674	1.3
184.08867	3.6
185.09586	7.3
185.13206	3.0
187.11125	1.3
191.08565	1.2
193.10132	3.4
195.08022	5.7
195.11658	13.0
196.08817	1.4
197.09636	4.8
197.13228	7.3
198.10260	1.2
199.07556	1.9
199.11217	1.8
205.10129	1.2
207.07932	1.0
209.09688	3.6
209.13277	3.2
211.11122	6.8
213.12711	2.7
219.11670	1.5
221.13321	2.1
222.10300	1.7
223.11168	4.2
225.12694	4.0
227.14256	12.5
235.11206	4.3
235.14732	1.2
237.12762	10.2
239.14365	3.9
243.13922	1.3
251.14388	2.2
253.15782	1.4
255.13768	22.4
257.15329	2.3
273.14841	35.5
274.15305	2.0
275.14294	1.2
281.15427	3.8
283.16882	3.7
287.16476	1.9
293.15347	1.7
295.17056	1.8
299.16498	3.4
311.16428	5.3
312.16861	1.3
313.17935	2.1
321.22171	2.4
325.17947	2.6
339.19495	1.7
339.23270	7.8
349.21588	39.7
350.22098	2.5
367.22647	66.8
368.22977	4.9
377.24936	2.2
385.23737	10.9
387.23071	3.6
399.69327	1.2
405.24118	15.2
406.24310	2.2
423.25278	7.0
426.03220	1.2
441.26349	100.0
441.33185	6.8
442.26657	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	441.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01871	2.4
55.05507	18.5
57.03421	2.8
57.07065	1.5
59.04996	3.9
65.03931	1.1
67.05494	8.9
69.03427	3.2
69.07059	8.2
71.08630	0.8
71.23193	0.9
77.03922	1.1
79.05479	8.1
81.07048	16.8
83.04990	2.3
83.08607	33.9
84.08959	0.9
85.06532	1.3
91.02614	0.7
91.05466	13.6
91.05987	1.2
93.07036	20.7
93.07605	1.6
95.04956	5.3
95.08588	23.0
97.06522	3.0
103.05444	0.9
105.07015	19.4
107.04951	2.7
107.08576	9.9
109.06509	5.4
109.10133	3.8
111.08067	36.2
112.08427	0.8
113.09630	9.5
115.05410	2.0
117.06999	9.0
119.04934	1.3
119.08569	12.3
121.02908	0.8
121.06474	6.3
121.10105	8.1
123.04451	1.5
123.08060	8.1
123.11684	6.6
125.09563	0.9
128.06218	3.1
129.06989	4.3
130.07819	1.7
131.08551	39.1
133.06487	2.3
133.10114	7.8
135.08043	4.2
135.11661	2.7
136.91534	0.7
137.05942	3.7
137.09659	0.8
139.07483	1.1
139.10152	0.8
139.11188	2.6
141.06995	2.8
141.12743	7.5
142.07745	1.5
143.08545	12.9
144.09369	2.1
145.06471	3.0
145.10107	33.0
147.08041	8.6
147.11670	5.2
149.09624	3.4
151.07553	0.8
151.11169	1.3
153.06978	0.9
155.07204	1.3
155.08533	7.1
156.09233	1.2
157.06485	1.3
157.10106	7.9
158.07254	1.6
158.10893	3.0
159.08070	6.1
159.11655	9.1
161.09604	7.7
161.13252	2.5
163.11189	2.1
165.06992	2.0
166.07721	1.3
167.08556	3.3
168.09341	2.3
169.10097	8.4
170.11000	0.7
171.08009	8.1
171.11670	5.2
173.09642	15.2
173.13234	100.0
174.13577	4.4
175.11172	3.6
175.14842	2.2
178.07712	0.9
179.08574	2.4
180.09271	1.1
181.06587	0.8
181.10048	6.2
182.10863	2.3
183.08104	1.2
183.11661	8.7
185.09650	4.3
185.13246	5.8
187.11179	3.1
187.14807	2.4
189.09077	11.3
189.12764	1.3
191.08540	0.6
191.08878	0.9
191.10660	8.6
191.14299	1.1
192.09282	1.2
193.10164	4.8
193.11778	0.7
193.15915	1.7
194.10916	1.3
195.08159	1.4
195.11650	7.6
196.12318	1.4
197.09688	3.0
197.13203	8.9
199.11089	5.3
199.14828	2.1
201.12708	11.6
203.14290	1.2
205.10207	1.8
205.12061	1.0
205.15776	0.8
206.10837	1.6
207.09990	4.8
207.11794	3.7
208.12416	1.2
209.09660	1.9
209.11592	2.5
209.13278	5.3
210.10440	1.5
210.13771	1.0
211.11177	5.5
211.14819	2.6
212.11902	2.7
213.12761	5.4
213.16360	1.5
215.14371	3.6
215.17848	4.0
217.10110	1.8
218.10893	1.7
219.11694	2.3
219.13828	2.9
220.12260	1.2
221.09689	0.8
221.13263	4.1
222.13930	1.4
223.11218	4.9
223.14694	4.1
224.11899	1.8
225.12733	8.4
225.16330	1.8
226.13548	1.2
227.14233	4.6
229.12215	1.5
231.11679	1.6
231.13704	3.7
232.12373	1.9
233.13220	2.3
233.15247	1.7
233.18933	1.8
235.11148	1.3
235.14754	4.0
236.11876	1.4
236.15355	1.0
236.50056	0.8
237.12729	3.3
237.16331	5.0
238.13455	1.0
239.14265	4.4
241.12231	1.3
241.15872	2.6
243.13797	1.0
243.17444	1.8
245.13193	2.1
247.14957	2.1
249.12576	1.4
249.14499	4.2
250.13448	0.9
251.14304	2.9
253.15810	10.1
254.16183	1.9
255.13895	1.5
255.17352	4.9
257.15485	1.0
260.15707	1.0
263.14240	2.3
263.17957	0.9
264.15048	1.2
265.15872	7.5
265.19128	3.8
267.17340	1.2
269.15408	0.9
269.19031	1.6
275.18054	1.7
277.15839	1.6
279.17618	1.6
281.15262	3.9
283.16922	12.8
283.20541	4.1
291.17691	1.0
293.18991	11.1
295.20480	2.0
297.18466	1.9
299.16339	7.7
301.17926	23.5
302.18430	1.0
311.20004	43.2
312.20444	2.8
313.21677	5.2
317.19043	1.2
321.18466	3.2
327.19446	1.6
329.21063	73.7
330.21390	5.2
331.22687	7.5
335.20041	4.4
339.19516	6.9
341.21002	1.3
353.21057	21.5
353.25403	1.2
354.21506	1.9
357.20523	5.1
367.22501	1.6
371.22232	6.9
405.23703	1.3
405.28192	1.6
423.29254	20.9
424.29440	1.8
426.27893	1.3
441.16806	1.9
441.30569	51.6
442.31006	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	441.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05505	3.8
57.07067	1.9
67.05498	22.7
69.07053	13.2
70.02905	2.8
70.04953	1.1
79.05492	3.5
81.07050	15.6
83.08598	3.1
91.05479	3.9
93.07038	8.8
95.04942	3.7
95.08595	14.3
97.40394	1.2
105.07005	6.3
107.08583	14.4
109.06514	3.2
109.10146	100.0
110.10489	2.3
112.05478	1.3
119.08553	10.2
121.10131	11.8
122.10384	1.4
123.11689	7.8
131.08583	1.8
133.10091	8.7
135.11644	8.4
137.09567	1.9
137.13277	1.8
144.88576	1.1
145.10127	6.6
147.11688	5.5
149.09624	1.3
149.13229	5.5
151.11186	3.1
157.10095	1.9
159.11707	6.1
161.13266	5.1
163.11211	2.1
163.14836	4.0
173.13300	2.9
175.14821	4.5
177.12700	1.4
177.16353	1.6
187.14851	4.0
189.16330	4.8
191.17935	8.8
201.16449	4.1
203.18005	4.4
207.17360	1.5
215.17912	5.5
217.19518	1.5
218.73087	1.5
219.17456	3.1
233.19043	5.2
351.18777	1.3
355.29718	2.2
384.75031	1.3
385.30923	2.4
423.36200	12.1
424.36475	1.6
441.37241	38.0
442.37546	2.2
468.66977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05508	14.6
57.07069	25.9
67.05508	18.0
69.07061	14.6
70.61836	11.3
71.08630	40.0
72.73212	6.1
79.05477	22.2
79.05920	6.2
81.07043	37.3
83.08601	7.5
85.06546	11.4
85.10168	11.7
89.06030	58.0
91.05480	23.4
93.07034	55.2
95.04947	5.5
95.08598	100.0
97.50621	4.6
98.22624	5.2
98.23235	7.5
105.07016	26.4
107.08588	61.0
109.10161	47.7
111.08079	9.0
111.97859	5.9
117.06976	5.4
119.08576	53.4
121.06490	47.4
121.10136	47.9
123.11704	21.5
131.08556	9.7
133.08594	31.2
133.10120	37.6
135.11661	47.6
137.09654	5.8
137.13243	15.9
145.10107	20.6
145.38620	4.8
147.11656	30.1
149.13252	29.6
151.11057	4.9
159.11696	33.4
161.13278	29.6
163.14828	36.7
165.09102	27.7
173.13277	23.9
175.14803	27.2
177.16409	18.4
187.14838	13.9
189.16373	19.5
191.14319	8.1
191.17932	53.6
201.16342	15.0
203.18019	19.2
205.19513	11.5
207.17374	6.5
209.11774	16.2
215.17831	25.2
217.19510	9.9
219.17435	11.5
229.19547	7.7
233.18939	26.4
243.21049	6.1
247.20540	7.2
291.23190	8.2
308.34424	6.1
313.36890	5.4
315.17953	17.2
328.72833	6.1
405.35101	12.1
420.58728	5.7
423.18964	11.7
423.36160	65.3
424.36435	11.5
441.31857	6.3
441.37277	64.8
442.37576	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	442.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01855	2.4
55.05505	3.6
55.43711	0.7
57.03431	5.9
61.02922	8.4
62.85487	0.6
69.03068	1.0
69.03425	17.3
69.37263	2.8
71.04988	4.4
73.02932	3.4
81.03406	6.9
81.07053	0.9
83.01362	0.8
83.04929	0.9
83.08602	3.8
85.02897	100.0
86.03237	1.4
86.46192	0.6
87.04451	3.0
91.03957	6.1
91.05456	0.7
95.04968	1.1
97.02888	23.5
99.04459	3.4
107.08571	0.7
109.02874	7.0
111.08056	1.2
115.03915	1.3
121.06472	0.7
123.08057	0.9
125.09683	0.8
127.03902	23.0
127.04861	1.1
129.05544	0.8
129.09097	2.0
134.90686	0.6
135.08076	0.8
139.07545	1.2
141.09106	1.5
145.04942	47.2
151.07500	1.0
153.01852	1.4
154.04955	1.8
163.05995	19.4
163.07307	1.3
167.10707	1.2
169.08585	0.6
180.08632	0.7
191.10658	1.1
197.11748	1.0
209.11761	1.3
227.12704	1.5
245.13797	1.3
263.14658	0.8
281.17361	0.7
344.22311	0.7
442.16159	0.6
459.83807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66560	2.8
55.91822	2.5
57.03441	17.9
57.07076	4.4
59.05009	4.0
61.02922	6.6
69.03422	67.1
71.42203	3.1
72.88060	2.6
75.06182	2.6
81.03415	6.5
85.02895	100.0
87.04454	44.3
91.03957	4.6
95.81927	2.6
97.02882	61.5
99.04453	4.8
109.02872	8.5
115.03928	70.9
115.04705	5.2
127.03896	22.5
133.04958	79.7
145.04936	33.1
145.85725	3.1
150.07608	8.7
163.06009	18.7
165.19695	2.9
186.59241	2.9
241.07014	4.9
241.52252	3.3
376.16727	4.0
443.22745	3.5
468.70831	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	443.0497
Annotation	PD173955
Peak:m/z	Relative Intensity
56.96563	84.8
58.03703	1.0
59.81021	1.1
69.03410	1.4
70.06584	2.4
71.42197	1.2
73.27240	1.2
74.97605	1.3
79.01835	1.1
81.03436	1.5
84.96033	3.1
97.02898	1.7
98.97573	28.2
101.00872	1.7
110.97585	2.0
112.99139	4.6
114.79254	1.2
115.00769	1.2
116.98618	20.2
119.01907	2.8
124.99109	10.5
127.00665	3.0
128.98598	1.9
131.00188	6.3
131.01920	1.2
134.99637	7.7
137.05968	3.7
139.00676	4.8
140.98586	1.3
141.02231	12.1
143.00150	29.3
143.01859	1.2
143.03372	1.5
145.01743	2.1
145.03477	1.9
146.97554	1.6
149.01254	3.5
151.00626	1.8
153.01801	10.3
153.02884	1.4
153.95915	1.2
155.01852	1.9
157.01750	5.3
159.03284	15.8
161.01219	30.9
161.02940	3.8
162.99101	1.5
164.98564	6.0
167.00175	5.9
168.98093	1.9
169.01733	12.2
170.13107	1.0
170.99661	3.2
173.02998	2.6
175.02812	1.8
175.11911	3.0
176.70218	1.1
177.00830	1.3
177.04327	2.7
179.02222	3.9
180.98024	2.1
181.03621	1.1
181.04918	5.7
182.99652	11.8
185.01239	16.8
185.02844	1.4
186.99199	5.6
187.02785	18.9
189.00633	5.3
190.96530	1.4
194.99640	4.6
197.02953	3.6
198.99098	2.6
201.00705	27.7
203.02255	18.5
203.03983	1.0
205.00195	5.0
205.03839	3.9
207.01826	1.6
208.97543	11.5
213.00681	21.0
213.02545	1.8
214.98659	1.6
219.01773	9.5
221.03293	8.7
221.05095	1.8
223.01198	1.3
226.03635	1.4
226.98598	28.3
231.01753	33.7
237.06023	1.8
244.99683	89.8
245.04895	5.9
245.99960	2.1
249.02803	26.7
263.00739	100.0
264.01089	2.6
267.03970	6.0
268.01193	2.1
273.02783	5.1
281.01849	2.6
281.08658	1.5
287.00647	2.2
291.04089	6.6
295.01321	2.5
305.01669	2.4
313.02377	11.2
316.98807	2.4
321.02853	3.3
323.00742	2.0
331.03400	2.9
335.06006	4.4
337.02225	3.1
339.04028	6.5
340.98529	1.4
341.06940	1.7
355.03464	6.6
357.01266	8.7
357.04910	2.2
365.01840	8.9
373.04645	1.8
375.02002	2.0
383.02911	34.8
383.07867	4.7
383.12286	2.0
401.03912	48.0
401.08511	2.3
402.04410	2.9
419.04892	17.9
422.97174	1.5
443.04938	26.9
444.05209	1.6
461.05945	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30397	0.3
65.12188	0.3
65.72568	0.3
65.72932	0.3
66.03438	0.3
67.83296	0.3
68.82574	0.3
69.03432	0.3
70.06573	0.4
71.25343	0.3
74.63737	0.4
83.01081	0.7
84.01859	0.4
95.01080	2.0
96.01859	0.9
112.01351	1.5
113.02126	3.2
126.02888	0.8
147.09138	0.5
153.01756	0.5
157.04723	1.1
167.03178	0.7
167.07054	0.5
169.04758	0.5
179.98666	0.7
185.04179	4.2
189.05211	0.8
191.03133	0.6
201.03635	1.0
202.04369	0.5
203.05267	0.9
206.05484	10.3
207.06210	0.4
243.08325	0.6
249.07404	1.0
259.07834	2.0
281.09781	0.5
298.06708	0.4
313.87247	0.4
383.13095	0.6
412.13571	0.4
413.14066	0.9
426.84787	0.3
443.15201	100.0
444.15512	6.3
444.21082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1687
Annotation	4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
55.05502	4.9
67.05495	4.3
69.03413	1.6
69.07055	2.5
70.50769	1.1
71.08626	3.6
79.05480	2.6
81.03442	1.6
81.07050	5.0
83.04961	1.9
83.08604	4.0
85.02877	1.6
88.11238	1.9
90.96685	1.1
91.05467	5.5
93.07035	6.7
95.04970	5.4
95.08584	8.4
97.06497	1.3
100.11261	5.6
102.64505	1.4
105.07014	4.7
107.08591	4.1
109.06529	1.8
109.10152	4.4
111.04447	2.1
111.08057	2.1
115.05411	1.5
117.07028	2.5
119.08562	5.7
121.06486	1.7
121.10139	7.5
123.04430	2.5
123.11709	2.1
125.06030	1.9
128.07098	2.0
129.07011	1.9
131.08592	3.1
132.05745	1.4
133.06531	1.5
135.08026	1.7
137.05952	1.2
143.08598	2.2
145.10127	5.6
147.08000	1.6
147.11665	1.8
149.09598	1.5
149.13260	1.2
151.07523	3.9
153.05530	1.7
157.10075	1.3
159.08063	2.6
159.11711	1.7
161.05942	2.1
161.09653	2.0
163.05902	1.1
167.07016	14.5
169.10086	1.6
170.15405	8.7
171.11661	1.5
171.15775	1.9
173.09596	3.0
173.13289	3.5
175.07539	7.8
179.14301	2.7
182.15413	5.1
183.11650	1.6
183.15709	1.8
187.07460	1.9
191.10626	1.5
193.10095	1.4
197.13286	1.4
198.14897	6.6
199.07556	2.3
199.15211	1.6
210.14919	6.5
211.15234	2.0
217.04688	4.5
219.08223	2.0
219.13759	3.1
231.08028	1.8
232.04724	2.7
232.07037	55.7
233.07736	3.9
237.09039	1.5
239.09258	2.4
249.09132	1.2
261.09161	2.3
265.08508	1.2
268.46362	1.2
276.07727	1.4
277.08472	1.4
279.10101	1.5
281.11514	1.3
285.18427	2.3
291.10019	1.6
293.07748	1.3
295.20453	1.2
308.10260	1.4
309.17972	1.2
313.21506	2.3
319.09677	1.7
321.11108	1.4
323.12952	1.5
337.21332	1.9
339.12222	15.4
340.13071	3.6
341.21149	2.6
351.12173	2.9
352.13162	2.9
355.22650	4.3
359.21957	1.6
383.14880	3.2
425.30850	5.9
442.32663	1.9
443.16757	100.0
443.31839	14.4
444.17206	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37076	1.0
55.05497	2.0
55.54619	0.9
67.05495	1.8
69.07052	2.0
71.43094	1.2
79.05482	3.4
81.07053	2.6
91.05473	3.8
93.07021	2.7
95.04974	2.5
95.08630	2.5
103.05456	1.9
105.07030	4.4
107.04939	4.3
107.08611	1.4
109.10134	2.2
112.33475	1.2
115.05438	3.6
119.08539	2.7
121.06438	1.7
123.04397	2.4
125.05996	1.3
128.06232	2.3
129.07007	3.2
131.04921	1.9
131.08499	1.2
132.05710	1.8
133.06471	1.5
133.10106	2.1
137.06013	1.4
141.06958	3.3
143.08553	1.8
144.05670	2.3
145.10170	1.6
147.04402	1.2
147.08063	1.9
151.03859	1.0
151.07529	4.4
153.05453	2.4
156.05688	1.2
157.06453	4.9
157.10107	1.2
158.07278	2.5
159.08057	3.9
161.06003	2.6
165.09155	1.4
167.07034	21.4
169.06471	1.6
170.07219	3.5
171.08154	1.4
171.47748	1.2
173.09763	1.6
175.07521	9.3
179.07045	1.8
185.06032	1.5
186.06686	6.3
187.07556	3.9
189.05444	1.2
190.07784	1.6
191.08537	3.6
194.07291	1.3
199.07762	1.3
200.08342	2.4
201.09082	4.5
202.07796	2.5
203.08565	3.1
205.06506	2.2
205.08452	2.5
205.10226	2.3
207.08098	2.5
211.14861	1.0
215.08603	1.6
218.07253	3.8
219.08054	7.6
220.08789	4.4
221.05956	1.1
221.09601	1.4
229.08585	11.8
230.07158	2.4
231.08041	7.3
231.10132	2.3
232.08809	2.3
233.05899	2.6
233.09627	4.6
234.06682	2.5
234.10368	3.0
235.07497	2.7
237.09094	1.7
239.09102	2.9
245.05975	1.7
245.09688	2.4
246.06770	2.0
247.07474	13.0
248.08276	8.5
249.09062	3.8
250.06200	2.0
251.07025	1.7
258.06802	2.5
259.07602	5.1
260.08371	2.2
261.05420	1.2
261.09048	6.0
262.06320	1.1
262.09808	5.5
263.07117	2.2
263.10672	7.4
264.07785	3.7
265.08618	6.5
266.09253	1.4
267.17557	1.2
270.22757	1.3
273.09082	2.6
274.05954	1.3
275.07013	5.5
276.07721	8.9
277.05106	2.1
277.08514	6.3
278.05759	1.5
278.09213	2.0
279.06433	1.8
279.10190	2.2
289.08423	2.1
290.09296	6.7
291.10168	13.3
292.07236	6.4
292.10477	2.0
293.08051	11.8
293.11307	2.2
294.08777	2.6
301.08588	1.3
304.07159	1.9
305.07996	3.3
305.11661	3.1
306.08853	1.8
307.06149	2.0
307.09503	9.5
308.10376	4.8
309.10995	1.5
315.08600	1.3
319.09607	8.5
320.06839	1.4
320.10251	1.2
321.07489	5.3
321.11331	3.4
322.08340	1.9
322.11856	2.5
323.05270	1.6
323.12531	5.6
324.13477	2.5
325.10513	2.8
335.09149	2.1
336.09857	4.8
337.10669	6.6
338.07718	2.4
339.08539	2.0
339.12253	16.0
340.12915	3.4
350.11438	2.5
351.12259	15.8
352.12933	4.8
353.10135	10.4
362.09555	1.2
368.12518	12.7
369.12842	1.5
383.14841	100.0
384.15320	6.4
425.15646	2.0
425.26398	1.9
443.13544	1.1
443.16531	1.3
443.22253	1.6
443.27255	2.9
443.32437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.07068	0.5
62.49284	0.3
67.05499	1.1
69.03426	0.8
69.07063	0.5
71.22527	0.4
75.36991	0.3
77.80280	0.3
79.05495	0.5
81.07049	1.1
83.08602	0.5
85.02886	0.7
85.06541	0.5
91.05463	0.9
93.07040	1.0
95.08598	1.2
105.07006	1.1
107.08576	1.1
109.02822	0.4
109.06495	0.5
109.10140	1.0
117.07048	0.4
119.08569	0.8
121.10133	0.9
123.08066	0.5
123.11671	0.7
127.03843	0.4
129.06918	0.3
131.08534	0.8
133.10121	0.9
143.08519	0.6
145.10123	1.1
147.11668	0.4
155.08533	0.6
157.10114	0.7
159.11684	0.5
161.88503	0.4
165.09073	0.4
171.11636	0.4
173.09628	0.4
184.95300	0.4
185.04172	0.6
185.09506	0.4
191.10495	0.4
195.13524	2.2
202.75462	0.3
203.14169	0.3
215.18248	0.4
223.13086	0.8
227.05185	0.8
271.04187	0.6
285.18283	0.6
310.00726	0.3
357.14297	0.6
357.18823	9.6
358.18857	0.5
381.18652	0.4
382.31232	0.5
399.19864	39.8
400.20206	2.2
425.26505	1.0
443.18848	100.0
444.19168	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	443.2791
Annotation	(5alpha,25R)-Spirostan-3,6,12-trione
Peak:m/z	Relative Intensity
55.01870	2.1
55.05512	6.1
59.04998	3.1
63.64414	1.6
67.05514	8.5
69.03420	6.2
69.06710	2.1
69.07069	27.4
71.04997	2.5
73.06535	2.3
79.05486	10.6
81.07053	19.5
83.04975	5.6
85.06528	2.4
91.05485	11.7
93.07030	19.0
95.04958	7.7
95.08598	10.6
97.06532	16.8
99.08073	4.0
105.07013	18.4
107.04967	1.9
107.08578	20.9
109.06506	11.8
109.10144	6.4
111.04430	6.7
111.08083	2.9
113.05980	1.9
113.09652	2.8
115.07548	10.4
117.07008	5.2
119.04923	3.1
119.08573	9.7
121.06500	10.7
121.10158	8.4
123.08062	9.2
125.09618	17.9
128.06218	3.6
129.06996	4.9
131.08549	12.2
133.10133	4.5
135.08017	3.3
137.05968	8.2
139.11241	2.8
139.77576	1.6
140.22189	1.5
141.06975	2.2
142.07843	3.5
143.08557	20.5
143.10664	3.9
145.10120	12.8
147.08052	8.2
147.11710	3.4
149.09604	13.1
153.01822	5.6
155.08566	5.5
156.09367	2.4
157.10129	11.6
159.08029	9.8
159.11703	4.5
161.09615	6.3
163.11168	4.2
165.06989	3.0
165.12743	1.7
167.08577	3.2
168.09285	2.1
169.10172	8.7
171.08052	6.8
171.11694	8.8
173.09608	9.1
173.13342	3.2
175.11194	4.3
179.08652	2.9
180.09335	1.7
181.10048	3.2
183.11696	4.6
185.09653	6.6
185.13286	7.1
187.11206	8.7
189.09142	4.0
191.10754	3.6
193.10155	4.5
195.11703	5.7
197.09630	4.7
197.13289	6.1
198.10408	4.9
199.11198	9.4
199.14827	2.8
201.12746	5.2
207.11690	5.1
209.09615	3.0
209.13168	4.8
211.11165	4.7
211.14789	2.2
213.12721	44.6
213.14638	2.6
215.14304	6.2
219.11703	2.1
221.13194	2.5
222.10295	2.1
223.11267	4.6
223.14792	2.4
225.12767	5.4
227.14285	2.3
230.10774	2.4
233.13277	2.2
234.10672	2.1
235.11230	2.8
235.14868	3.8
237.12785	4.8
239.14417	4.6
241.12233	5.4
243.13905	3.3
245.13287	2.5
247.14975	2.2
251.14253	3.5
253.15950	3.6
255.13765	4.6
263.14258	2.9
265.15775	4.8
267.17365	3.2
273.14993	3.2
278.16409	1.9
281.15329	7.5
283.17056	4.4
285.18539	3.0
291.17047	2.5
293.18890	1.8
295.16873	4.8
299.16422	55.8
301.17990	18.5
302.18597	2.3
309.18640	5.6
311.20114	6.3
317.17538	4.0
327.19519	17.0
329.21091	14.7
333.18414	2.9
339.19583	2.7
341.20996	4.7
351.19537	5.6
355.22784	2.2
357.20630	7.6
357.24536	2.1
369.20547	100.0
369.24036	6.4
370.20917	6.2
383.15146	1.8
389.24545	3.6
407.25742	14.2
425.26816	63.9
426.27097	3.7
443.18274	5.5
443.27734	63.1
444.28143	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	443.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.6
55.05505	7.6
57.03426	2.1
57.07070	4.5
59.04993	10.0
64.65749	2.0
65.24670	2.0
67.05492	29.0
69.03430	5.0
69.07061	31.9
69.17891	11.8
70.89642	2.0
71.04985	3.2
77.03864	2.2
79.05483	14.3
81.07045	30.2
83.04984	20.8
85.06519	6.0
91.05462	15.2
93.07038	29.5
95.04943	23.0
95.08598	23.0
97.06511	21.9
98.23335	7.4
99.08095	6.3
105.04490	1.9
105.07014	28.4
107.04955	8.9
107.08588	22.9
108.15652	2.1
109.06514	19.1
109.10143	11.4
111.08065	4.4
113.06036	2.9
113.09617	3.2
117.07020	9.0
119.04939	3.0
119.08559	15.6
121.06494	15.8
121.10138	7.2
123.04410	5.8
123.08059	43.1
123.11709	3.0
125.05974	2.2
125.09615	6.1
128.06219	5.4
129.06935	4.1
130.07764	3.3
131.08548	23.0
133.06480	3.2
133.10123	10.1
135.08044	19.7
135.11684	3.7
137.05968	4.2
137.09599	10.5
139.03931	1.9
139.07495	4.8
141.07036	2.3
142.07755	4.6
143.08560	19.0
145.06471	4.8
145.10097	27.4
146.10526	2.4
147.08031	12.3
147.11696	8.7
149.09607	39.4
149.13237	2.4
151.07542	2.2
151.11162	6.1
153.01816	8.0
155.08539	6.5
156.09337	2.9
157.10115	15.4
158.07260	5.6
159.08046	12.4
159.11656	13.0
161.09593	12.7
163.07545	2.3
163.11172	10.7
166.07802	2.6
167.08476	4.8
169.10141	10.7
171.08060	11.3
171.11664	13.0
172.08652	2.2
173.09593	33.0
173.13219	14.2
175.11195	6.9
177.12753	8.4
179.08635	3.7
180.09299	2.8
181.10106	7.4
182.10841	2.9
183.07979	2.3
183.11676	10.3
184.08841	3.0
185.09683	7.5
185.13205	11.2
187.11194	9.6
187.14833	3.3
189.09131	9.4
189.12711	4.5
191.08870	2.9
191.10670	17.1
193.10095	5.1
194.10777	2.3
195.11742	11.1
195.13405	2.1
197.09604	4.0
197.13289	6.9
199.11223	10.3
199.14862	3.7
201.12766	8.6
203.14394	4.8
205.10251	2.5
206.10918	2.7
207.11781	5.3
209.09660	5.1
209.11542	3.9
209.13324	5.7
210.10336	3.4
211.11185	8.0
211.14752	4.0
213.12730	12.4
213.16286	3.6
215.10770	2.8
215.14261	3.0
219.11742	5.2
220.12242	2.4
221.09682	2.8
221.13345	5.0
223.11220	7.9
223.14925	3.6
225.12761	9.6
225.16301	2.7
227.14369	4.5
229.15883	3.7
231.13780	11.3
233.13306	2.5
235.11098	2.7
235.14818	4.7
237.12732	9.2
237.16403	4.7
239.14349	8.2
241.12198	5.3
241.15845	2.7
243.13972	3.4
247.14896	2.7
248.12024	2.6
249.12630	4.6
249.14925	7.5
251.14326	4.1
251.18042	4.2
253.15964	6.7
255.13780	2.2
255.17311	2.7
263.14267	6.6
265.15958	12.0
267.14114	2.7
267.17395	5.0
271.16937	4.1
275.14188	2.8
279.17197	2.6
281.15298	6.4
283.16937	11.3
285.18558	2.7
290.16440	2.1
291.17328	3.1
293.15463	3.3
293.18793	5.2
295.16852	3.7
297.18500	2.8
299.16379	22.0
300.16888	2.3
301.17978	25.3
302.18546	4.6
305.18811	6.2
309.18427	6.0
311.20074	8.5
317.17535	7.6
323.19891	11.4
325.21426	3.4
327.19522	7.0
329.21094	18.8
333.18448	5.9
341.20975	14.5
343.22629	3.6
345.20474	3.8
349.21634	4.3
351.19492	12.9
359.22202	12.4
367.22775	10.0
369.20593	35.2
369.24722	3.4
385.23654	61.6
386.24036	4.9
387.21542	21.5
389.24768	7.5
397.27545	4.3
407.25848	22.7
408.25974	2.4
419.66638	2.1
425.26801	75.3
426.26929	3.7
443.27869	100.0
444.28470	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	443.2787
Annotation	Amentol
Peak:m/z	Relative Intensity
53.77362	0.6
55.01858	1.5
55.05502	3.6
57.03412	0.8
57.07058	2.6
65.03918	1.5
66.05063	0.6
67.05493	13.0
69.03423	2.3
69.07054	4.3
69.58542	0.6
70.60206	1.4
71.04985	9.6
71.36951	0.6
71.69102	0.6
77.03922	1.1
79.05476	7.4
81.07044	9.0
83.04961	2.3
83.08634	1.0
85.06549	4.5
87.69923	0.6
91.05476	9.5
93.07032	15.1
95.04961	9.2
95.08591	9.3
97.06529	4.8
98.23344	0.7
105.03390	1.1
105.04478	0.8
105.07018	18.5
107.04928	1.7
107.08575	11.5
109.06506	9.1
109.10151	2.4
111.08067	1.7
113.05988	23.6
115.05461	1.2
115.07570	0.7
117.06989	7.7
119.04974	1.2
119.08562	10.7
121.06485	8.3
121.10124	10.2
123.04432	1.7
123.08050	100.0
124.08391	2.1
125.09615	12.0
128.06177	2.9
129.07004	4.7
130.07758	2.5
131.08546	13.9
133.06505	2.1
133.10147	5.7
135.08032	4.4
135.11693	3.8
137.05978	2.4
137.09587	1.8
139.03848	1.0
141.06993	2.0
141.09100	0.7
142.07745	2.3
143.08539	11.3
144.09329	1.5
145.06418	3.2
145.10109	24.4
146.07123	0.8
146.10486	1.1
147.08026	6.3
147.11627	3.1
149.09593	7.9
149.13271	0.7
151.11171	1.5
153.01819	0.7
153.07025	0.7
154.07756	1.4
155.08516	6.2
156.09308	0.8
157.06444	1.7
157.10089	8.2
158.07269	2.0
158.10864	0.6
159.08066	4.3
159.11656	5.2
161.09573	7.3
161.10800	0.7
161.13246	2.1
163.11156	39.1
164.11479	1.1
165.07002	2.0
165.12717	1.4
167.08559	2.6
168.09378	1.6
169.10095	4.0
170.10866	1.2
171.08047	7.7
171.11656	5.4
172.08771	1.0
173.09599	21.2
173.13229	20.9
173.14738	0.9
175.11165	5.5
177.12749	2.4
178.07831	0.8
179.08563	1.9
179.10686	1.8
180.09422	1.5
181.10106	4.3
182.10793	1.7
183.08022	1.4
183.11665	4.9
184.08821	2.0
185.09624	4.9
185.13226	7.5
187.11168	5.5
187.14796	1.7
189.09035	3.6
189.12759	1.3
191.08894	1.1
191.10614	7.0
191.14290	0.9
192.09354	0.8
192.80376	0.7
193.10152	2.1
193.12215	6.2
195.11740	6.0
195.13797	27.6
196.12379	0.8
197.09578	2.4
197.13217	3.9
198.10356	4.6
199.11130	3.9
199.14818	3.7
201.12689	5.7
203.14301	1.1
205.10107	0.7
206.10997	0.8
207.10008	1.2
207.11729	3.2
209.09674	1.2
209.11630	1.4
209.13319	4.1
210.10338	1.2
211.11140	4.0
211.14777	1.8
212.11839	0.7
213.12711	15.2
213.16148	0.8
214.13165	1.0
215.10765	0.9
215.14279	3.6
217.12230	1.4
217.15926	1.3
218.10887	0.9
219.11768	1.5
219.13791	1.0
220.12706	0.7
221.13275	1.5
223.11183	2.6
223.14749	1.8
224.12006	0.9
225.12798	5.6
225.16324	1.4
226.13283	0.8
227.14310	2.7
229.12234	3.5
231.11705	1.3
231.13763	29.1
232.14224	1.2
233.13193	1.4
233.15340	1.2
235.11162	0.9
235.14819	2.4
236.11867	0.9
237.12685	2.4
237.16339	2.9
238.13538	1.4
239.14290	3.0
240.14731	0.7
241.12218	0.8
241.15857	1.4
243.13754	1.5
245.13194	1.1
245.15405	0.8
247.13213	2.6
247.15329	0.9
248.12022	0.7
248.15401	0.6
249.14804	49.0
250.15283	1.5
251.14259	3.1
251.17940	1.2
253.15742	3.0
255.13799	0.7
255.17458	2.2
257.15341	0.9
261.16461	1.2
263.14325	1.9
264.14914	0.7
265.15866	5.9
267.17456	0.8
269.15485	0.9
269.18805	1.0
271.16977	0.8
275.17798	0.9
277.15936	1.3
279.17206	1.8
281.15344	3.2
283.16864	8.4
284.17368	1.1
293.18903	5.6
295.20557	2.3
297.18417	1.5
299.16214	4.3
301.17920	15.1
302.18680	1.4
303.17355	1.7
305.19000	0.7
311.20047	8.9
313.21469	4.3
315.19720	1.1
319.20737	1.5
321.18451	5.7
322.19125	0.7
329.21069	11.4
331.22778	5.4
335.19818	1.0
337.21582	2.9
339.19409	5.5
341.21417	0.6
347.22131	1.3
353.20956	3.4
355.22635	7.5
357.20551	6.0
367.22699	0.9
369.20468	0.9
371.22079	12.3
373.23694	2.3
375.21573	3.1
389.24683	3.6
407.25800	8.6
425.26804	31.0
426.27478	1.8
443.27866	91.8
444.28241	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	443.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.3
55.05494	6.0
55.75083	1.3
57.03435	7.4
57.06866	1.2
57.07072	14.5
59.04991	3.2
63.05307	1.3
65.03934	2.5
67.05161	2.6
67.05497	40.6
69.03415	5.1
69.07060	15.5
69.20579	8.1
71.04980	10.5
79.05477	8.1
81.03406	2.3
81.07050	16.4
83.04959	4.1
83.08604	2.8
85.02883	4.4
85.06531	89.9
86.09692	7.1
91.05463	12.1
93.07034	17.9
95.04960	12.6
95.08594	14.2
97.02892	2.4
97.06514	7.7
105.07007	20.0
107.04896	1.9
107.08589	11.4
109.06535	8.7
109.10137	6.3
111.08061	2.8
113.05991	37.9
114.06368	1.3
115.05417	3.0
115.07558	4.7
117.07011	8.1
119.04906	1.5
119.08570	13.6
121.06483	13.8
121.10130	10.2
123.08064	13.9
125.09574	3.9
128.06233	2.8
129.06981	5.8
130.07722	2.7
131.06999	2.3
131.08554	17.0
133.06529	3.5
133.10104	11.3
135.08037	10.0
135.11598	2.2
137.05963	2.4
137.09592	7.3
139.03868	2.0
141.07040	2.3
142.07730	2.4
143.08551	14.5
143.10684	1.6
145.06435	3.2
145.10109	28.5
146.07091	1.5
147.08017	9.9
147.11674	7.7
149.09599	6.3
153.01814	10.5
155.08531	10.8
157.10110	9.1
158.07260	5.7
159.07980	7.0
159.11662	13.2
161.09593	11.7
161.13223	1.8
163.11188	6.4
165.06960	2.8
167.07132	2.0
167.08537	1.9
168.09258	1.7
169.10085	6.4
171.08022	11.1
171.11725	6.8
171.26363	1.6
173.09596	38.7
173.13210	13.7
175.11185	5.6
175.14793	3.1
177.12784	2.9
179.08655	3.3
181.10098	5.2
182.10857	2.6
183.08058	2.6
183.11592	7.4
184.08849	1.7
185.09596	5.8
185.13229	7.6
187.11208	4.4
187.14810	2.5
189.09129	8.1
191.08884	1.0
191.10631	29.0
191.12195	2.3
193.10057	3.5
193.12273	2.1
195.08061	2.2
195.11710	9.2
195.13791	9.9
196.12337	2.2
197.09592	4.5
197.13239	6.9
198.10390	2.4
199.11198	6.0
199.14827	3.5
200.11671	1.7
201.12758	4.1
205.10201	1.6
206.20950	1.3
207.09990	2.5
207.11740	3.6
209.09859	2.4
209.11664	6.4
209.13264	4.3
210.10350	2.5
211.11183	4.7
211.14766	3.1
213.12708	11.9
215.14360	3.6
217.12251	2.3
217.15805	5.8
219.11536	1.4
220.12431	2.1
221.13286	5.3
222.10435	1.7
223.11131	3.9
223.14737	2.8
225.12674	12.7
225.16286	2.3
227.14334	4.5
229.12241	2.0
229.15762	2.0
231.13754	17.7
233.13210	2.6
233.15295	1.6
235.11104	1.6
235.14751	3.7
235.17012	6.0
236.12021	1.9
237.12688	3.9
237.16351	5.2
239.14211	7.7
239.17802	1.7
243.13882	2.5
247.15009	2.1
249.12508	1.9
249.14728	25.3
251.14359	2.9
251.18036	2.1
253.15785	3.3
255.17389	9.7
263.14197	3.1
265.15817	18.0
267.13757	1.5
267.17365	2.3
269.19083	1.8
277.15836	3.3
281.15268	4.2
283.16861	20.9
284.17526	2.1
289.15756	1.9
291.17300	2.5
293.18930	4.0
295.17215	2.7
295.20529	9.5
297.18454	2.3
299.16348	5.7
301.17963	35.7
302.18622	3.9
305.19122	1.7
311.20074	4.5
313.18341	1.9
313.21533	10.7
315.19598	2.6
319.20471	2.1
322.19012	2.1
325.17996	1.9
327.19421	2.7
329.21109	13.0
331.23010	7.8
339.19421	1.8
343.22745	3.5
349.21606	6.4
353.21033	5.5
355.22534	1.7
361.25150	1.6
367.22864	7.6
371.23398	3.5
372.98273	1.5
373.23535	1.5
385.23712	13.4
389.24756	9.3
407.25760	23.1
425.26797	34.1
426.27249	2.8
443.18463	4.9
443.27869	100.0
444.28235	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	443.279
Annotation	Thunbergol A
Peak:m/z	Relative Intensity
55.01874	4.6
55.05505	7.6
57.03426	2.1
57.07070	4.5
59.04993	10.0
64.65749	2.0
65.24670	2.0
67.05492	29.0
69.03430	5.0
69.07061	31.9
69.17891	11.8
70.89642	2.0
71.04985	3.2
77.03864	2.2
79.05483	14.3
81.07045	30.2
83.04984	20.8
85.06519	6.0
91.05462	15.2
93.07038	29.5
95.04943	23.0
95.08598	23.0
97.06511	21.9
98.23335	7.4
99.08095	6.3
105.04490	1.9
105.07014	28.4
107.04955	8.9
107.08588	22.9
108.15652	2.1
109.06514	19.1
109.10143	11.4
111.08065	4.4
113.06036	2.9
113.09617	3.2
117.07020	9.0
119.04939	3.0
119.08559	15.6
121.06494	15.8
121.10138	7.2
123.04410	5.8
123.08059	43.1
123.11709	3.0
125.05974	2.2
125.09615	6.1
128.06219	5.4
129.06935	4.1
130.07764	3.3
131.08548	23.0
133.06480	3.2
133.10123	10.1
135.08044	19.7
135.11684	3.7
137.05968	4.2
137.09599	10.5
139.03931	1.9
139.07495	4.8
141.07036	2.3
142.07755	4.6
143.08560	19.0
145.06471	4.8
145.10097	27.4
146.10526	2.4
147.08031	12.3
147.11696	8.7
149.09607	39.4
149.13237	2.4
151.07542	2.2
151.11162	6.1
153.01816	8.0
155.08539	6.5
156.09337	2.9
157.10115	15.4
158.07260	5.6
159.08046	12.4
159.11656	13.0
161.09593	12.7
163.07545	2.3
163.11172	10.7
166.07802	2.6
167.08476	4.8
169.10141	10.7
171.08060	11.3
171.11664	13.0
172.08652	2.2
173.09593	33.0
173.13219	14.2
175.11195	6.9
177.12753	8.4
179.08635	3.7
180.09299	2.8
181.10106	7.4
182.10841	2.9
183.07979	2.3
183.11676	10.3
184.08841	3.0
185.09683	7.5
185.13205	11.2
187.11194	9.6
187.14833	3.3
189.09131	9.4
189.12711	4.5
191.08870	2.9
191.10670	17.1
193.10095	5.1
194.10777	2.3
195.11742	11.1
195.13405	2.1
197.09604	4.0
197.13289	6.9
199.11223	10.3
199.14862	3.7
201.12766	8.6
203.14394	4.8
205.10251	2.5
206.10918	2.7
207.11781	5.3
209.09660	5.1
209.11542	3.9
209.13324	5.7
210.10336	3.4
211.11185	8.0
211.14752	4.0
213.12730	12.4
213.16286	3.6
215.10770	2.8
215.14261	3.0
219.11742	5.2
220.12242	2.4
221.09682	2.8
221.13345	5.0
223.11220	7.9
223.14925	3.6
225.12761	9.6
225.16301	2.7
227.14369	4.5
229.15883	3.7
231.13780	11.3
233.13306	2.5
235.11098	2.7
235.14818	4.7
237.12732	9.2
237.16403	4.7
239.14349	8.2
241.12198	5.3
241.15845	2.7
243.13972	3.4
247.14896	2.7
248.12024	2.6
249.12630	4.6
249.14925	7.5
251.14326	4.1
251.18042	4.2
253.15964	6.7
255.13780	2.2
255.17311	2.7
263.14267	6.6
265.15958	12.0
267.14114	2.7
267.17395	5.0
271.16937	4.1
275.14188	2.8
279.17197	2.6
281.15298	6.4
283.16937	11.3
285.18558	2.7
290.16440	2.1
291.17328	3.1
293.15463	3.3
293.18793	5.2
295.16852	3.7
297.18500	2.8
299.16379	22.0
300.16888	2.3
301.17978	25.3
302.18546	4.6
305.18811	6.2
309.18427	6.0
311.20074	8.5
317.17535	7.6
323.19891	11.4
325.21426	3.4
327.19522	7.0
329.21094	18.8
333.18448	5.9
341.20975	14.5
343.22629	3.6
345.20474	3.8
349.21634	4.3
351.19492	12.9
359.22202	12.4
367.22775	10.0
369.20593	35.2
369.24722	3.4
385.23654	61.6
386.24036	4.9
387.21542	21.5
389.24768	7.5
397.27545	4.3
407.25848	22.7
408.25974	2.4
419.66638	2.1
425.26801	75.3
426.26929	3.7
443.27869	100.0
444.28470	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	443.2792
Annotation	Amentol
Peak:m/z	Relative Intensity
54.17505	3.2
55.01861	5.9
55.05491	7.8
55.43880	3.1
57.03432	4.4
57.07064	11.1
59.04998	13.9
67.05492	26.9
69.03416	4.2
69.07061	14.1
69.74693	3.3
69.75018	9.0
70.06584	7.0
70.60623	3.5
71.04990	9.0
77.22426	3.3
79.05501	9.6
81.03422	4.4
81.07062	15.3
81.78564	3.4
82.17784	3.3
82.52038	3.4
83.04989	4.7
85.06537	76.1
86.09711	25.3
89.98418	4.0
91.05485	12.9
93.07055	16.7
95.04971	9.3
95.08598	12.0
97.02869	3.9
97.06525	7.0
98.22826	4.8
99.08050	6.0
103.05447	3.4
105.07009	17.6
107.04937	6.1
107.08604	12.3
109.06535	8.4
109.10192	6.4
111.08109	4.4
113.06009	24.6
115.07564	4.2
117.07039	4.2
119.08574	11.9
121.06495	11.9
121.10139	6.3
123.04463	4.2
123.08062	16.9
125.09606	3.6
127.03947	3.5
129.05470	7.5
131.08571	20.2
133.10146	8.9
135.08011	8.9
137.09610	7.1
139.03896	6.0
143.08545	9.7
145.10152	21.3
147.08000	8.7
147.11752	6.4
149.09628	8.1
153.01845	32.3
155.08588	9.2
157.06476	3.8
157.10118	10.2
158.07274	4.4
159.08043	5.7
159.11694	11.3
161.09659	12.5
161.13268	5.7
163.11131	7.2
169.10010	5.2
171.07994	8.1
171.11649	5.9
173.09601	35.7
173.13254	15.2
177.12869	4.0
181.10071	3.6
182.10829	3.9
183.11656	7.1
185.09541	8.3
185.13176	6.4
187.11151	6.9
189.09137	10.1
191.10651	24.5
195.11684	6.5
195.13812	7.8
197.13322	7.0
209.11615	4.9
209.13380	5.9
211.11169	5.4
211.14774	5.1
213.12740	8.8
215.14374	3.6
221.13348	4.3
223.14848	4.2
225.12761	8.2
227.14294	7.2
229.12149	4.6
231.13785	12.6
235.14807	4.3
235.16913	8.6
239.14302	3.8
241.15921	4.2
249.14804	22.6
251.14339	5.2
253.15855	4.9
255.17369	6.7
265.15881	15.4
279.17450	4.2
283.17062	17.7
284.17545	3.2
295.20599	8.7
299.16397	5.4
301.17883	26.3
302.18344	3.9
311.19992	4.6
313.21661	5.6
329.21124	9.6
331.22543	10.4
343.22797	5.2
367.22610	6.7
385.23645	15.0
389.24707	10.6
393.45737	3.6
407.25806	21.0
425.26810	39.4
443.13300	5.9
443.18301	10.7
443.27902	100.0
444.28494	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	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05507	13.7
65.03940	3.2
67.05500	14.0
69.07072	20.1
71.08650	3.1
79.05492	11.3
81.07055	25.3
83.08619	8.5
85.06528	5.4
91.05479	14.0
93.07043	24.5
95.04958	4.0
95.08604	39.5
97.06528	4.3
97.10172	8.7
105.07027	25.3
107.08600	35.5
109.06523	11.4
109.10181	18.5
111.08132	5.8
113.68105	3.5
115.23573	3.4
117.06892	3.5
119.08578	28.0
121.10143	22.1
123.08058	12.7
123.11710	9.9
128.16728	3.9
129.07016	4.4
131.08559	12.0
133.10129	23.4
135.11690	15.8
137.09639	4.4
137.13234	5.5
139.11159	5.0
143.08533	6.8
145.10127	13.9
147.08101	4.4
147.11670	18.0
149.13246	6.5
151.11252	9.9
157.10159	9.9
159.11687	16.1
160.49663	3.6
161.13226	20.7
163.14796	47.0
171.11725	8.5
173.13275	11.6
175.14842	8.4
179.14331	14.5
185.13193	4.1
187.14809	10.4
189.16321	6.7
191.17996	3.5
195.13788	8.6
199.14786	5.2
201.16423	7.6
203.17969	11.6
205.15828	5.0
215.18071	4.5
217.15878	25.4
227.17993	6.7
235.16917	100.0
236.17216	4.2
245.18901	6.3
263.19943	3.6
281.22745	4.1
407.33002	8.4
425.34021	26.6
443.27631	6.3
443.35104	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	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.01868	2.5
55.05506	9.2
57.07097	1.6
59.50438	1.3
67.05492	7.7
67.24443	1.6
69.07065	10.4
70.35843	1.2
77.03911	2.1
79.05495	7.2
81.07052	19.3
83.04989	4.8
83.08610	4.2
85.06502	1.4
91.05479	9.1
93.07038	22.2
95.04977	2.1
95.08598	27.7
97.06515	2.7
97.10172	2.8
101.06004	4.2
105.07020	18.7
107.08581	29.7
109.06519	7.6
109.10134	17.3
117.07028	1.9
119.08572	27.0
121.10124	22.1
122.10490	1.6
123.08084	6.8
123.11708	4.6
125.09651	1.6
128.21681	1.3
129.07005	1.9
130.38017	1.4
131.08571	5.9
133.10120	19.5
134.10498	1.4
135.11673	17.1
137.09589	3.6
137.13228	1.8
139.11198	8.5
143.08589	4.2
145.10127	12.9
147.11679	13.2
149.09616	1.9
149.13261	5.0
151.11159	12.4
157.10081	6.6
159.11684	16.1
161.09636	2.9
161.13249	21.8
163.14809	21.6
171.11681	4.1
173.13231	9.8
175.11215	1.8
175.14818	5.7
177.16338	2.1
179.14301	35.6
180.14645	1.5
181.15877	3.3
183.11623	2.0
185.13249	3.7
187.14743	8.4
189.12796	2.7
189.16354	2.5
191.17972	1.4
197.13298	1.5
199.14751	8.9
201.16354	26.3
203.17923	22.9
207.13806	5.4
213.16412	3.6
215.17964	4.0
217.15869	35.2
219.17421	5.9
227.17903	8.3
228.07188	1.7
229.19560	1.9
235.16888	48.1
236.17267	3.2
239.17944	1.6
245.18895	2.4
253.19464	1.6
255.21072	4.8
263.20093	2.4
265.19373	2.0
269.22620	5.9
315.16409	1.5
332.92065	1.4
389.32013	6.4
407.33041	100.0
408.33466	12.6
425.34128	10.8
426.34491	2.1
442.64142	1.5
443.28809	2.3
443.34946	15.2
444.40778	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	444.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28367	0.2
51.46204	0.2
51.95563	0.3
55.93222	0.3
59.94809	0.2
62.65123	0.2
69.34700	1.5
73.04749	0.4
73.97708	0.3
76.15899	0.3
85.02888	0.3
91.05795	0.7
98.22691	0.6
147.09668	0.3
162.05325	0.7
180.06270	3.7
222.07379	0.4
252.08553	0.6
282.09573	1.0
287.11014	0.6
305.12015	0.9
325.07007	0.3
342.11633	0.6
358.74643	0.3
359.02768	0.6
444.18372	100.0
445.18777	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	444.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74163	2.0
53.03934	6.6
55.01877	3.5
55.05504	17.3
57.03429	3.7
59.04991	2.3
65.03942	8.1
67.05498	9.2
69.03065	2.9
69.03419	33.6
69.07066	4.9
71.04967	2.4
73.04760	4.3
74.27788	2.4
79.05482	4.4
81.03400	21.5
81.07048	6.9
83.04972	100.0
83.55896	2.0
84.05349	2.5
85.02892	29.0
85.06538	2.5
91.05457	64.6
93.03390	12.7
93.06296	2.3
93.07036	4.9
95.04975	4.4
97.02881	31.0
97.06535	3.0
99.04454	6.7
99.08057	2.8
107.04972	1.9
107.08578	3.3
108.04479	2.3
109.02873	17.3
111.04431	57.9
112.02190	5.9
119.08575	2.7
121.02866	19.7
121.10113	2.2
124.07549	3.6
125.09609	2.5
127.03910	26.1
129.05515	2.9
130.03242	5.9
131.08598	3.3
139.03882	83.1
145.04907	10.6
145.10048	2.5
153.01823	9.5
157.04951	45.9
167.05530	2.2
173.09579	3.3
197.13252	2.7
229.08447	3.7
255.08646	9.8
279.15921	4.8
283.08121	15.1
294.05148	5.5
295.05957	2.5
301.09131	40.1
301.18018	6.6
307.05975	9.3
319.10187	60.4
325.06842	3.5
337.07098	7.5
346.22729	2.1
355.08075	3.2
359.02646	5.5
371.22253	2.7
379.08032	3.4
384.43524	2.2
391.07919	4.2
393.71335	2.3
399.28336	2.4
409.08994	9.3
427.10025	7.7
427.28372	7.8
444.19592	2.8
445.11462	4.0
445.16690	8.4
445.21536	4.6
445.29477	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	444.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.9
55.84086	1.4
57.03431	7.0
59.04994	16.0
61.02913	2.4
63.30846	1.2
64.36790	1.3
64.85030	1.3
66.84575	1.1
67.13846	1.4
69.03428	23.9
69.77583	4.8
69.82259	1.2
70.06602	2.9
71.04983	1.6
72.08157	1.7
73.04739	4.4
73.06547	25.3
75.44292	1.3
79.01823	1.7
81.03407	5.7
83.04976	6.6
85.02897	26.0
87.04465	10.9
90.46973	1.3
91.05803	6.7
91.63129	1.4
94.35805	1.2
97.02892	15.2
98.22742	2.5
99.04412	1.9
101.06009	93.3
107.01290	1.7
109.02865	6.3
114.05518	37.3
115.03936	13.9
115.07554	41.5
115.08345	2.9
125.02346	2.9
127.03899	8.6
129.05478	19.4
133.04984	13.3
133.08592	100.0
134.08928	2.9
137.05997	2.0
143.03404	4.1
145.04950	3.2
147.06528	4.0
153.01810	60.9
153.03036	3.5
162.61006	1.4
167.05539	3.1
171.02870	4.2
205.04823	2.1
230.04477	2.2
248.05586	8.9
266.06528	29.3
282.13379	2.1
359.02710	5.1
444.18561	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	445.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43802	2.3
56.96560	32.1
63.13626	2.4
69.03401	3.2
73.04752	40.5
73.05135	3.9
78.06348	2.4
84.96043	9.6
85.02915	9.5
91.05788	100.0
97.02894	4.2
98.97574	57.4
107.01331	3.2
109.06834	2.7
110.97565	28.5
114.05519	28.3
116.98624	28.4
125.02401	3.4
127.03918	5.2
128.98602	39.1
131.00192	5.4
134.99666	11.8
143.03343	4.0
146.99666	18.4
149.04521	9.8
152.98611	4.7
153.01804	41.8
158.99727	3.8
161.01292	5.6
167.05585	47.8
167.07062	34.0
168.05768	2.7
168.07358	2.4
170.99672	8.0
171.02856	2.7
177.00745	4.5
189.00743	7.7
194.99658	2.7
201.00876	6.6
209.01340	4.5
219.01712	31.6
223.02809	5.8
225.04231	25.7
226.01492	3.0
227.02277	11.3
227.64693	2.6
237.02782	69.0
238.03139	3.1
241.03763	20.7
248.05592	9.5
255.03862	5.8
259.05008	4.9
261.02795	3.4
262.03659	3.0
265.03931	7.7
266.06631	20.2
277.03909	9.5
283.04874	12.3
295.04764	11.5
301.06003	4.7
319.04889	5.1
324.98730	4.6
325.05850	2.8
337.06082	6.7
342.99677	13.2
355.07199	3.0
359.02826	61.6
360.02722	7.8
367.06970	78.3
385.07932	17.3
403.09067	21.1
429.08868	4.9
445.10117	34.8
445.16101	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	445.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01860	1.1
55.05497	1.4
57.03422	1.8
61.02916	2.8
68.05006	2.3
69.03432	5.9
70.81236	1.3
71.04971	2.9
73.04757	6.3
73.06546	1.9
79.01843	1.9
81.03403	5.2
84.04441	0.8
85.02901	17.9
87.04443	1.0
91.05332	1.0
91.05797	9.3
96.04489	1.7
97.02894	8.8
98.23112	1.1
99.04409	1.2
101.06036	4.1
102.06334	1.6
107.01322	4.4
109.02875	8.5
114.05523	74.9
115.03961	1.0
115.07551	1.8
116.07876	1.2
125.02371	5.7
125.84104	0.8
127.03900	14.7
131.04953	2.1
133.08572	3.3
134.08907	1.5
137.05908	1.4
143.03377	4.3
145.04951	4.1
149.04430	1.3
151.03897	0.9
153.01819	100.0
154.02156	1.9
156.04384	0.9
156.06520	2.1
159.08031	1.5
167.05544	3.9
171.02884	9.7
203.03374	2.2
204.06548	1.6
205.05008	1.2
219.06184	1.0
225.04295	1.3
229.08644	1.1
230.04469	2.4
248.05534	21.8
257.08200	1.1
266.06580	70.6
267.06885	2.7
275.09262	1.2
308.07605	1.5
342.99838	1.4
359.02753	7.2
425.86508	0.9
428.11777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1837
Annotation	Aglacin D
Peak:m/z	Relative Intensity
55.05502	1.0
56.97657	0.6
64.58961	0.6
66.50206	0.6
67.05489	1.9
69.07063	1.9
69.18970	3.3
71.04987	0.9
73.04753	2.2
79.05481	1.7
81.07060	4.0
83.08618	0.7
91.05854	5.3
93.07034	2.2
95.04941	1.3
95.08604	2.1
97.06519	0.9
98.22871	2.1
98.97581	1.2
99.08098	0.9
100.11232	0.8
100.49998	0.7
103.05456	0.6
105.07030	1.6
107.08607	2.8
109.06586	0.5
109.10140	2.0
116.98625	1.0
119.08591	2.0
121.06523	1.2
121.10121	1.5
123.08074	1.4
123.11719	1.2
131.04918	0.8
131.08548	0.9
133.10124	0.6
137.06006	1.8
143.08595	0.9
145.10107	1.4
149.09698	0.9
157.10187	1.1
159.07970	0.7
159.11682	0.9
165.09103	1.3
165.12766	1.3
167.05609	1.7
167.08641	0.7
171.07895	0.7
173.09596	0.9
173.13225	0.8
178.07632	0.7
183.11661	1.0
189.05243	2.0
189.09193	1.1
191.10732	0.5
194.07335	0.7
195.55045	0.6
201.12886	0.7
205.06613	0.8
206.07259	0.6
215.14311	1.0
219.06207	4.6
219.08043	0.7
221.06024	0.9
222.06732	1.9
223.07520	1.7
225.04176	0.7
231.14005	0.7
232.09068	0.6
233.07788	1.5
234.08606	32.5
235.09431	4.0
236.08281	1.2
237.02800	1.0
237.09178	0.9
249.09091	3.7
250.06190	0.7
250.09982	1.0
251.06956	1.6
252.07767	2.0
261.09094	0.7
264.07870	2.0
265.04678	0.6
265.08600	5.8
265.11148	1.0
266.09402	1.9
269.08124	0.7
277.08649	1.0
279.06610	0.9
279.09900	0.6
280.04684	0.6
280.07224	3.0
281.08109	2.1
283.09653	0.8
293.08133	1.3
293.11642	2.4
295.09641	1.9
296.10443	2.5
297.07684	1.7
301.17935	1.7
309.11279	0.8
310.11725	0.7
311.09116	2.6
311.12802	1.7
312.09875	4.8
313.10583	0.9
321.11194	1.6
324.09946	1.2
325.10696	1.6
326.11432	10.4
339.12219	15.4
340.12692	1.5
353.13712	0.9
355.11658	0.9
356.12518	7.5
359.02777	3.3
369.13293	1.6
370.14099	20.9
371.14838	9.3
371.22214	2.7
385.15134	1.0
391.26077	0.9
398.16653	0.6
409.27206	1.3
414.16479	1.4
415.17435	1.7
427.28052	2.9
445.18314	100.0
445.29340	6.3
446.18719	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	445.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10019	0.3
55.05503	0.7
62.72876	0.3
64.74459	0.3
67.05498	1.3
67.08324	0.3
69.03427	0.5
69.07065	1.0
69.82860	0.5
69.83251	0.6
71.04975	0.5
73.04742	0.9
79.05489	0.5
81.03408	0.5
81.07053	1.8
83.08623	0.3
86.78590	0.3
87.95150	0.3
91.05344	0.4
91.05791	1.6
93.07039	1.2
95.08607	1.1
97.06544	0.6
97.67655	0.3
98.23090	1.0
103.05469	0.5
105.07030	1.1
107.08587	0.8
109.10152	1.2
119.08602	0.7
121.06526	0.5
121.10132	0.8
123.08079	0.6
123.11740	0.3
131.04918	1.1
131.08536	0.5
133.10127	0.6
137.05992	1.2
137.09520	0.4
141.06999	0.3
143.08588	0.4
145.10136	0.4
147.11752	0.3
147.45775	0.3
153.01849	0.9
159.11729	0.4
165.09215	0.3
165.12624	0.3
167.05568	1.2
167.06999	0.4
173.09615	0.5
181.10294	0.3
191.10754	0.3
197.13164	0.4
210.14973	0.4
212.06020	0.3
217.08551	0.7
218.07286	0.3
220.87003	0.3
225.04314	0.3
227.14131	0.3
249.09143	0.3
267.17578	0.3
286.19244	0.4
294.27664	0.3
301.17929	0.8
309.11340	0.3
321.11420	0.4
331.15799	0.4
333.07919	1.2
341.13763	0.3
341.20990	0.4
353.13898	0.5
359.02753	1.4
371.22025	0.9
391.26462	0.3
409.27255	0.8
427.28320	1.8
445.20410	100.0
445.28976	2.8
446.20822	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	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
55.05513	0.4
62.58434	0.2
67.05500	0.5
69.07064	0.8
69.92442	0.2
69.92778	0.5
72.97925	0.2
73.04742	0.6
73.74178	0.2
79.05492	0.3
79.12367	0.2
81.07048	0.9
83.08598	0.3
87.97321	0.2
91.05801	0.8
93.07040	0.9
95.04944	0.3
95.08575	0.5
105.07022	0.8
107.08582	0.4
109.06463	0.3
109.10178	0.6
117.07047	0.3
119.01923	0.4
119.08503	0.4
121.10146	0.3
123.08109	0.5
131.08540	0.4
133.10107	0.3
142.49593	0.3
143.08545	0.2
145.10129	0.5
151.07571	0.2
151.11159	0.3
159.11711	0.3
161.02917	0.3
167.05585	0.3
173.09615	0.4
191.10635	0.3
203.03824	0.3
275.07602	0.3
301.18039	0.6
325.14813	0.3
333.07898	13.8
334.08298	0.7
335.09454	0.8
343.16058	0.3
356.01691	0.2
359.02927	0.4
371.22186	0.4
409.27100	0.5
427.28253	1.2
445.20413	100.0
446.20795	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	445.2043
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
50.73544	0.3
53.03937	0.4
55.01868	0.6
55.05496	1.5
56.20829	0.3
57.03433	0.5
59.04993	0.3
65.03944	0.5
67.05496	3.3
69.03415	1.1
69.07059	8.0
71.04186	0.3
71.04984	0.8
73.04747	0.7
75.14923	0.3
79.05492	2.3
81.03403	0.6
81.07053	6.5
83.04971	1.1
83.08625	0.7
85.02911	0.6
85.06508	0.7
91.05443	1.5
91.05843	1.3
93.07035	4.1
95.04962	3.6
95.08599	2.2
97.02892	0.4
97.06529	3.2
97.10157	0.4
99.04471	0.3
99.08079	3.5
105.07021	3.9
107.04917	0.6
107.08578	4.5
109.06501	1.7
109.10146	2.1
111.08068	1.0
115.05469	0.4
117.07007	0.9
119.04874	0.6
119.08572	2.9
121.02844	0.8
121.06466	2.0
121.10120	1.9
123.08053	8.2
123.11691	0.6
124.08380	0.4
125.05944	0.5
125.09618	2.2
127.03872	0.4
127.07532	0.8
127.11157	2.2
128.06241	0.6
129.06995	0.9
130.07735	0.3
131.08534	2.9
133.06535	1.0
133.10112	2.0
135.08031	1.5
135.11671	1.1
137.05975	1.6
137.09624	0.9
137.13219	0.4
139.11111	0.3
141.07021	0.4
142.07782	0.3
143.08543	2.4
143.10645	0.6
145.06480	0.7
145.10106	4.2
147.07983	1.4
147.11676	1.5
149.02304	0.4
149.09631	1.2
149.13216	0.6
151.11128	0.5
153.01895	0.4
154.07819	0.3
155.07138	0.3
155.08527	1.2
157.10120	1.5
157.22241	0.3
158.07303	0.4
159.00058	0.3
159.08060	1.1
159.11642	1.9
161.09605	2.0
161.13266	0.5
163.07591	0.3
163.11169	0.7
165.12740	9.0
166.13023	0.3
167.05544	0.8
167.08636	0.3
169.10107	1.4
171.08049	1.0
171.11673	1.2
172.08797	0.3
173.09584	4.3
173.13257	1.0
175.11131	0.6
175.14738	0.5
177.12735	0.6
179.08449	0.5
179.14378	0.3
181.08549	0.3
181.10081	0.7
183.11687	1.3
185.09660	0.8
185.13251	1.3
187.11191	1.3
187.14702	0.4
189.09094	1.3
191.10634	1.8
195.11624	1.0
197.09612	0.6
197.13261	1.5
199.11179	0.9
199.14766	0.7
201.12712	1.1
203.14307	0.4
207.11713	0.7
208.12431	0.5
209.13329	0.7
211.11165	0.9
211.14760	0.6
213.12668	1.5
215.14287	2.4
217.12238	0.4
219.17380	0.4
221.13301	0.5
223.14812	0.4
225.04268	0.6
225.12692	1.0
227.14244	0.8
229.12263	0.4
231.13747	1.7
235.14897	0.5
237.12715	0.6
237.16228	0.5
239.14290	1.0
241.15887	0.4
243.13850	0.9
247.13130	0.7
249.14868	1.1
253.15814	0.4
255.17491	0.7
265.15848	1.1
267.06470	0.4
269.15451	0.5
277.15753	0.3
283.16983	2.5
285.18570	0.5
293.18903	0.5
294.05099	1.0
295.05716	0.6
295.20502	0.6
297.07562	0.4
301.17953	7.0
302.18570	0.6
303.19470	0.8
306.97574	0.3
307.06033	1.5
308.06543	0.5
311.20023	0.7
313.21631	0.8
319.06003	0.4
319.19049	0.6
323.19977	1.0
325.07043	0.9
328.20239	0.4
329.20969	0.8
331.22531	1.1
335.19891	0.6
337.07120	2.4
337.10892	0.5
341.21042	1.9
341.99039	0.3
353.21002	1.4
355.08157	0.7
359.02661	1.1
367.07959	0.4
371.22110	22.8
372.22406	0.7
373.25192	0.5
379.08395	0.6
391.08041	1.2
391.26147	0.9
409.09116	1.1
409.27332	3.4
427.10162	1.1
427.28403	10.2
428.28845	0.7
430.27438	0.6
445.20328	100.0
445.29285	20.4
446.20844	6.7
446.29745	1.6
446.34808	0.3
458.22833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
55.05501	2.7
57.03426	0.9
59.04977	0.9
65.03918	1.9
67.05491	11.4
69.03418	1.6
69.07061	34.5
71.04980	2.7
71.26773	1.1
73.04753	3.6
79.05493	6.3
81.06561	1.3
81.07047	22.9
83.04974	2.5
83.08595	1.2
85.06561	1.3
87.44378	1.0
88.48588	0.7
91.05440	5.1
91.05833	3.9
93.07025	11.9
95.04951	12.3
95.05521	1.0
95.08587	8.2
97.06520	14.5
97.10152	2.1
99.04436	0.9
99.08073	11.7
105.07021	10.1
107.04974	1.2
107.08578	13.5
109.06493	7.0
109.10141	6.0
111.08076	2.9
115.05394	0.9
115.07526	0.9
117.07007	4.1
119.04903	1.7
119.08560	8.6
121.02865	2.3
121.06488	6.8
121.10117	4.4
123.08053	34.9
123.11724	3.1
125.09631	10.8
127.07482	0.8
127.11186	5.4
128.06204	1.1
129.06981	2.7
131.04901	0.8
131.08545	9.2
133.06483	1.9
133.10095	5.0
135.08058	4.0
135.11649	2.4
137.05945	3.3
137.09595	2.7
137.13286	1.2
141.06985	1.6
143.08557	5.9
143.10649	2.2
145.06473	2.1
145.10088	13.9
147.08009	5.6
147.11668	4.8
149.09604	5.1
149.13219	1.7
151.11111	1.1
155.08551	3.5
156.09314	1.2
157.10045	5.0
158.07294	1.6
159.08020	5.8
159.11684	5.9
161.09598	6.2
161.13263	2.3
163.11185	2.3
165.12730	40.5
167.05540	2.4
167.08560	1.3
169.10112	3.4
171.08025	4.9
171.11671	3.5
171.47250	1.0
173.09598	14.7
173.13226	5.4
175.11148	3.0
177.12708	1.9
179.14320	2.3
181.10080	2.4
182.10934	0.9
183.11697	3.7
185.09586	2.6
185.13237	3.1
187.11150	5.0
187.14796	2.2
189.09084	3.1
189.12770	1.4
191.10641	7.5
193.10141	1.0
195.11688	3.1
197.09613	1.5
197.13248	4.8
199.11130	2.5
199.14815	1.6
201.12721	4.4
207.11827	1.8
209.09619	1.2
209.11504	1.8
209.13260	2.7
211.11176	1.9
211.14738	1.3
213.12720	6.1
215.14270	10.5
219.13770	1.7
221.13309	1.3
222.10406	0.8
223.11130	1.5
223.14818	1.7
225.12758	5.0
225.16330	1.2
227.14372	2.9
229.12180	1.4
231.13766	6.5
235.14757	1.2
237.12727	1.7
237.16129	1.8
239.14316	2.2
241.15846	1.5
243.13878	1.9
247.13309	3.1
249.14708	8.1
251.14198	0.9
253.15857	1.3
253.19357	1.0
255.17424	2.9
265.15787	4.5
267.17447	1.4
269.15387	0.8
283.16934	7.5
284.17429	0.9
285.18423	1.6
293.18964	1.8
294.05234	1.2
295.20557	1.8
299.16544	1.2
301.17926	15.4
302.18610	1.9
303.19565	3.9
305.18921	1.1
307.05991	2.8
311.20001	2.8
313.21570	3.0
319.19016	2.8
323.20041	1.7
328.20270	1.3
329.17517	0.8
329.21051	3.2
331.22617	4.3
335.20004	2.2
337.07050	4.4
341.21075	2.8
347.22128	1.5
351.23221	1.3
353.21066	5.9
359.02640	3.8
371.22128	99.0
372.22498	7.5
373.25415	1.0
379.07928	1.5
391.08194	1.8
391.26404	4.4
409.09055	1.4
409.27380	12.2
411.66779	0.9
427.10120	3.4
427.28384	40.7
428.28723	3.8
445.20309	100.0
445.29416	85.2
446.20688	9.1
446.29785	7.3
448.10992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2945
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
55.05493	0.9
57.03424	0.8
61.87144	0.6
67.05506	2.3
68.18250	0.5
69.03416	1.6
69.07061	7.4
69.39651	2.6
73.04750	2.3
78.92775	0.4
79.05494	3.7
81.03404	0.5
81.07053	6.9
83.04979	0.7
85.02898	0.8
91.05411	1.8
91.05836	1.6
93.07037	6.6
95.04955	2.0
95.08592	2.3
97.06519	2.2
97.10156	0.6
98.23257	1.7
99.08068	2.3
103.05426	0.6
105.07043	4.5
107.04945	0.7
107.08588	4.6
109.06512	4.2
109.10146	1.4
111.08058	1.2
117.07019	1.0
119.08595	3.0
121.06509	3.0
121.10138	5.0
123.08057	21.4
123.11672	0.7
123.73930	0.5
125.09612	3.9
127.11195	1.1
129.06941	1.2
131.04939	1.2
131.08569	2.8
133.06561	0.5
133.10120	1.9
135.08032	1.3
135.11674	0.9
137.09598	1.7
141.06943	0.7
142.07735	0.8
143.08521	2.9
145.06458	1.7
145.10107	4.1
147.08037	1.8
147.11731	1.3
149.04500	0.6
149.09593	4.6
155.08524	2.1
157.10120	3.0
159.08029	1.9
159.11656	2.0
161.09612	3.2
163.07494	0.7
163.11174	0.6
165.12733	2.2
167.05606	0.9
169.10080	1.8
171.08031	1.4
171.11678	1.7
173.09621	3.8
173.13300	1.2
175.11108	0.7
179.14307	1.1
181.10115	1.5
183.11717	1.5
185.09627	1.9
185.13254	1.5
187.11169	1.9
189.09143	2.1
191.10667	0.9
195.11688	1.7
197.09470	0.6
197.13203	1.6
199.11218	1.4
199.14810	0.8
201.12715	2.8
205.09941	0.5
207.11765	0.7
209.13309	0.9
211.11188	1.3
211.14723	0.8
213.12727	3.0
215.14301	2.0
221.13200	0.7
223.11162	0.6
223.14818	1.4
225.04263	0.7
225.12791	0.8
225.16356	0.6
227.14334	0.8
229.12195	0.7
231.13852	1.4
237.16397	1.1
239.14215	1.0
243.13734	0.6
249.14717	2.8
255.17567	0.5
263.14368	0.5
265.15842	1.2
267.17294	0.6
281.15479	0.6
283.16974	2.3
285.18509	1.0
295.20523	0.7
301.18063	3.6
303.19479	2.9
325.21469	0.6
331.22653	0.7
335.19876	1.1
353.20969	3.1
355.22662	0.7
359.02917	1.6
371.22134	100.0
372.22504	7.3
391.26215	1.1
409.27209	3.1
427.28290	9.3
434.07315	0.6
445.29446	12.2
445.35641	0.8
446.29889	1.0
461.03082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
53.03933	2.0
53.08403	1.7
55.05495	5.0
55.15300	1.3
57.03431	2.4
61.56692	1.4
62.77741	1.4
63.47268	1.4
65.03924	2.2
67.05502	12.2
69.03455	1.6
69.07062	44.5
69.29013	7.6
76.10050	1.6
79.05482	14.6
81.07045	63.3
83.04966	2.8
91.05473	10.1
91.84007	1.5
93.07040	13.5
95.04956	13.1
95.08602	10.2
97.06516	17.9
98.22683	3.3
99.08081	36.7
99.13841	1.7
105.07007	14.1
106.28897	1.5
107.04893	1.6
107.08578	15.0
109.06503	11.5
109.09512	1.4
109.10154	10.3
111.08093	4.0
113.09631	1.8
115.07577	2.1
117.07005	6.3
119.08563	11.0
119.41096	1.7
121.06525	7.9
121.10143	6.2
123.08051	34.0
123.11716	3.0
124.56276	1.6
125.09613	9.3
127.11172	8.2
128.06236	4.2
129.06969	3.0
131.08557	11.0
133.06445	1.8
133.10088	7.3
135.08034	5.2
137.05951	3.6
137.09579	2.7
143.08566	8.2
143.10602	1.4
145.06509	3.1
145.10106	16.7
147.08052	8.0
147.11652	7.6
149.09579	3.8
149.13235	1.9
155.08540	6.1
156.09221	1.5
157.10065	7.3
159.08069	7.1
159.11699	6.1
161.09531	8.2
161.13322	3.0
163.11154	2.6
165.07053	2.1
165.12727	37.4
167.08514	2.1
168.09322	2.2
169.10098	4.8
171.08029	5.9
171.11641	3.1
173.09602	18.9
173.13234	5.9
175.11174	1.7
175.14783	1.9
179.08633	2.0
179.14291	2.5
181.10068	4.1
182.10912	3.1
183.11696	6.2
184.12129	2.0
185.09648	4.5
185.13289	5.4
187.11147	5.8
187.14638	1.4
189.09064	4.5
191.10666	8.4
193.10072	2.6
195.11708	5.2
196.12241	1.6
197.09624	3.2
197.13228	6.3
198.67824	1.6
199.11206	6.2
199.14751	2.7
201.12779	4.0
207.11705	2.7
209.09674	2.6
209.11516	1.9
209.13310	3.0
211.11179	4.8
211.14760	2.5
213.12689	5.9
215.14317	9.9
221.13208	2.0
223.14771	3.3
225.12727	7.9
227.14299	1.9
231.13829	6.6
235.11198	1.8
237.16353	6.6
239.14371	3.1
243.13820	3.5
249.14917	7.2
251.14386	1.7
253.15857	1.9
255.17491	5.6
264.58597	1.6
265.15869	8.6
281.38821	1.7
283.16864	16.8
293.18921	2.4
295.20514	2.1
299.16461	2.2
301.17950	88.0
302.18488	11.3
303.19528	2.9
311.19989	3.3
313.21729	6.4
317.21280	2.6
319.19064	5.6
321.18753	2.1
329.21011	12.8
331.22662	10.1
335.19934	4.1
347.22159	5.5
353.21024	7.3
371.22134	90.4
372.22583	10.5
373.25119	1.8
391.26276	4.6
409.27231	17.7
410.28052	1.6
427.28400	52.9
428.28741	5.3
445.29437	100.0
446.29556	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	445.2945
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
55.05470	1.0
56.29670	0.4
57.07038	0.8
59.04963	0.7
67.05476	2.9
69.03394	0.9
69.07063	7.0
70.46989	0.9
71.04969	0.4
79.05498	2.4
81.07052	4.7
83.04951	0.9
85.06481	1.1
91.05458	3.3
93.07038	5.6
95.04953	2.6
95.08590	3.1
97.02824	0.5
97.06512	2.5
98.23463	0.5
99.08070	1.0
105.07033	4.4
107.04894	0.4
107.07948	0.4
107.08581	5.2
109.06503	4.6
109.10151	2.8
111.08023	1.1
117.07018	0.8
119.04939	1.0
119.05833	0.4
119.08559	3.0
121.06470	3.3
121.10102	1.3
123.08055	26.7
123.11656	0.5
125.09614	2.9
127.11132	0.7
129.05418	0.5
129.06967	0.9
131.08566	3.2
133.06401	0.5
133.10066	1.5
135.08022	2.3
137.05919	1.5
137.09537	1.2
142.07722	0.5
143.08516	2.2
143.10684	0.5
145.06438	0.6
145.10110	4.3
147.07980	1.9
147.11639	1.6
149.09613	2.5
149.13249	0.6
151.07597	0.5
151.11096	0.5
155.08504	1.6
157.10098	2.8
159.07951	1.8
159.11621	2.1
161.09621	2.9
161.13226	0.7
163.11134	1.1
165.12741	6.4
169.10077	1.5
171.07953	1.7
171.11592	1.7
173.09601	4.7
173.13145	1.5
174.10309	0.8
175.11116	1.5
179.14227	0.9
181.10072	0.7
182.10896	0.7
183.11617	1.8
184.08557	0.8
185.09634	1.3
185.13251	1.2
186.10260	0.5
187.11113	2.2
187.14771	0.7
189.09023	1.0
189.12721	0.9
191.10619	1.7
195.11726	1.1
197.09540	1.0
197.13184	1.9
198.10332	0.8
199.11110	1.3
200.11864	0.8
201.12737	2.3
209.11655	0.6
211.11157	0.7
213.12666	1.8
215.14276	8.9
216.14661	0.5
223.14757	0.6
225.12711	1.5
227.14330	1.1
229.12210	0.8
231.13734	2.3
237.12675	0.7
239.14301	0.9
243.13733	1.0
247.13228	1.8
249.14819	4.4
257.15378	0.7
265.15903	0.9
283.16895	1.8
285.18442	0.9
295.16992	0.6
295.20242	0.5
299.16510	0.6
301.17972	4.6
302.18665	0.7
303.19470	3.2
307.20508	0.7
311.20099	0.6
317.18829	0.6
325.21817	0.7
327.19473	1.5
329.20901	0.6
331.22607	1.1
335.19998	1.4
343.22714	1.3
353.21072	3.7
371.22125	100.0
372.22437	7.3
379.59384	0.4
391.26114	1.5
409.27295	3.0
427.28348	8.0
428.28668	0.6
445.20163	0.9
445.29440	15.4
446.29669	1.0
447.51581	0.5
462.11325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01867	2.3
55.05497	7.0
56.96555	1.8
57.03436	2.8
59.04973	1.4
61.02871	1.3
67.05479	7.1
69.03419	2.7
69.07059	50.5
71.04980	3.7
73.04742	6.3
79.05486	14.0
81.07047	43.6
83.04973	2.7
83.08620	2.0
85.02891	1.9
85.06505	1.5
86.09707	2.9
91.05344	2.3
91.05870	15.9
93.07030	14.7
95.04959	5.6
95.08593	8.8
97.02930	1.6
97.06518	19.9
97.10151	2.4
98.23241	1.3
98.97585	1.9
99.08067	19.4
103.05429	2.0
105.07017	14.2
107.04954	2.8
107.08569	16.5
109.06493	10.1
109.10160	9.9
111.08091	4.0
115.05427	1.6
115.07561	3.4
116.98588	1.5
117.07015	7.9
119.05040	2.0
119.08553	8.3
121.06503	5.7
121.10107	7.0
123.04424	1.7
123.08053	16.3
123.11710	1.8
125.05962	1.9
125.09599	15.8
127.11166	10.6
129.06979	4.1
131.04890	1.6
131.08554	13.2
133.06477	2.2
133.10127	7.8
135.08029	6.6
135.11653	2.4
137.05962	7.3
137.09627	2.4
141.06989	5.1
142.07748	1.9
143.08562	14.3
143.10677	6.3
145.06468	3.5
145.10101	13.5
147.08051	7.3
147.11671	6.2
149.04456	2.3
149.05873	1.5
149.09610	5.8
149.13232	3.5
151.07536	1.3
151.11198	1.6
153.01805	3.0
153.06992	1.4
154.07780	1.7
155.08546	5.9
157.06482	4.1
157.10117	5.7
159.08037	9.3
159.11742	6.4
161.05959	2.2
161.09566	9.4
161.13208	3.0
163.07578	2.4
163.11113	1.3
165.06931	1.6
165.12708	3.9
167.05533	7.8
167.08466	2.3
168.09341	2.0
169.10135	6.4
171.07997	7.5
171.11655	4.0
173.09607	17.3
173.13235	5.0
175.11214	3.7
175.14760	1.8
177.12627	2.8
179.08528	2.3
179.14259	2.0
181.10158	5.6
182.10896	1.9
183.11653	4.7
184.08769	2.1
185.09595	6.2
185.13220	5.1
187.11270	4.6
189.09129	4.7
189.12767	2.2
191.10622	9.8
192.09390	1.7
193.10114	3.7
195.11705	7.1
197.09605	3.7
197.13148	7.8
198.10336	1.7
199.09587	1.4
199.11195	8.6
199.14864	3.8
201.12712	5.2
203.14285	1.9
205.10126	2.0
206.10786	1.5
207.11636	4.0
209.09622	1.9
209.11470	1.5
209.13248	5.7
210.10326	2.1
211.11171	5.0
211.14812	3.1
212.11862	1.9
213.12750	7.7
213.16319	1.5
215.14308	3.6
217.12115	1.3
219.11676	2.6
219.17477	1.5
221.13220	3.8
223.11140	5.0
223.14735	2.8
225.04274	3.6
225.12727	9.8
225.16292	2.1
226.13431	1.4
227.14240	5.5
229.12241	2.1
230.46550	1.5
231.11615	2.0
231.13602	6.0
235.11229	2.1
235.14827	3.3
237.12758	2.6
237.16400	8.4
239.14235	3.9
241.15799	1.8
247.14845	2.3
249.14835	5.2
250.13487	2.9
251.14285	3.3
251.17764	1.9
252.14876	1.4
253.15804	7.5
255.17390	6.0
261.14578	1.7
263.14441	1.6
265.15817	11.3
267.17422	2.0
267.21207	1.5
269.15158	1.6
275.17902	1.4
277.15771	1.4
279.15979	4.4
283.16895	27.2
284.17474	4.1
285.18436	3.3
291.16995	1.7
293.19189	1.8
294.05023	1.9
295.20465	3.8
299.16620	1.6
301.17947	100.0
302.18607	11.8
303.19589	9.4
307.06076	2.2
308.10675	1.4
311.20193	3.5
313.18176	1.8
313.21512	6.2
317.18921	2.1
319.18802	4.9
323.20123	2.3
329.21027	8.6
331.22665	9.0
333.22098	1.4
335.19864	3.8
337.06873	2.0
341.01694	1.8
341.21310	1.7
342.99725	1.7
353.21082	9.8
359.02832	13.5
360.02872	2.9
371.22125	31.0
372.22449	2.2
373.25757	1.5
391.26282	7.3
397.27121	2.4
404.67841	1.5
409.27252	27.0
410.27524	2.2
427.28387	78.6
428.28711	5.2
445.15195	6.3
445.20282	35.0
445.29358	60.1
445.35718	3.0
446.20560	3.1
446.29810	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	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
54.82393	1.5
55.01873	5.4
55.05510	12.4
59.04996	4.0
63.20486	1.5
67.05499	9.7
69.03429	6.3
69.07064	33.7
69.33508	9.7
71.04984	11.0
73.04754	1.9
73.06517	1.7
79.05480	20.7
79.28497	1.6
81.07053	41.5
83.04981	5.1
83.08601	3.4
85.02900	2.5
85.06551	2.2
91.05426	18.2
93.06451	2.4
93.07037	45.3
95.04955	9.4
95.08608	24.9
97.05950	3.2
97.06521	25.8
97.10143	1.9
98.23425	3.2
99.04449	65.7
99.08098	5.9
101.02396	2.5
101.06001	3.9
102.24377	1.6
105.07018	37.1
107.04933	3.5
107.07922	3.3
107.08588	42.7
109.02863	2.8
109.05830	2.2
109.06490	13.5
109.10154	17.6
111.04455	2.4
111.08054	3.5
113.05989	4.4
117.07030	3.4
119.04914	1.8
119.08575	19.6
121.06506	5.7
121.10126	11.4
123.04414	1.9
123.08035	10.3
123.11701	10.1
125.05982	50.9
125.09560	2.6
127.03891	2.5
127.07582	2.6
127.11206	4.1
129.06970	4.0
131.08565	7.9
133.06522	1.8
133.10120	87.5
134.10469	3.1
135.08044	47.4
135.11667	3.0
135.18304	1.9
137.05989	7.5
137.09590	4.4
137.13240	7.1
139.07510	1.8
142.07791	7.3
143.07027	6.4
143.08549	4.4
145.06409	1.7
145.10120	10.8
147.08058	5.0
147.11668	26.0
149.04655	1.6
149.09604	4.2
149.13303	1.8
151.07497	2.4
151.11153	19.0
153.09103	13.7
155.08536	7.2
157.10130	14.0
159.08058	4.6
159.11693	5.5
161.09628	8.2
165.09174	2.0
165.12735	39.9
167.05531	2.6
167.10638	2.3
169.10123	4.1
171.11777	4.0
173.09630	7.1
173.13225	5.1
175.11157	50.7
175.12634	3.0
185.09663	1.8
187.11113	3.4
187.14844	4.7
189.12717	1.7
191.10646	2.1
191.14342	3.0
193.12218	100.0
194.12553	3.7
195.11734	2.8
197.13275	7.0
199.11186	2.9
199.14908	3.5
200.11913	2.7
201.12630	2.2
209.13522	1.7
209.15408	6.5
211.13219	19.6
213.12721	2.5
215.14291	29.0
217.12398	1.8
217.15839	23.7
219.13771	2.6
225.12756	3.0
227.14262	2.2
233.15332	25.3
234.15718	2.0
235.16920	5.3
239.14345	1.8
257.15442	2.6
265.15854	1.7
271.17059	2.6
283.17001	2.0
297.18414	2.0
301.17953	5.7
341.21069	3.1
353.21024	3.5
359.02759	2.6
369.24304	1.9
371.22168	4.6
391.26312	6.5
409.27261	20.9
427.28366	23.6
428.28699	2.6
445.29556	19.1
446.29910	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05036	0.9
53.03938	2.8
55.01871	3.6
55.05507	17.9
56.62907	1.2
57.03439	3.0
57.07080	1.3
65.03936	3.5
67.05499	42.7
69.03420	1.5
69.07065	13.3
70.21386	1.0
71.04992	3.4
79.05489	35.6
81.03410	2.5
81.07053	41.1
83.04987	3.3
83.08607	8.3
84.30704	1.2
85.06528	4.0
86.26725	1.1
91.05459	52.4
93.07036	36.8
94.76409	1.2
95.04957	11.5
95.08598	24.7
97.06532	5.5
97.10169	4.0
98.23540	1.6
103.05469	2.7
105.04525	3.0
105.07021	51.0
107.04956	6.3
107.08585	15.9
107.09250	1.4
108.08842	1.0
109.06504	5.6
109.10143	8.8
111.08080	2.2
115.05467	3.2
116.06239	1.6
117.07010	26.8
119.08570	31.4
121.06510	5.9
121.10132	11.5
123.08058	4.6
123.11707	1.8
125.09637	2.4
128.06230	3.3
129.06999	19.3
130.07782	2.3
131.08557	36.6
133.06493	3.2
133.10107	14.3
135.04375	1.2
135.08049	3.2
135.11708	5.2
137.09610	2.9
139.11212	1.1
141.06972	5.6
142.07782	2.8
143.08549	17.9
145.06508	2.7
145.10112	22.2
147.08046	4.0
147.11681	7.2
149.09612	3.9
149.13234	1.7
151.11166	1.7
154.07742	1.0
155.08542	9.5
157.10126	13.2
159.08095	2.4
159.11687	9.1
161.09604	2.6
161.13281	2.9
163.11211	1.8
167.05545	1.8
167.08601	3.8
169.10110	7.6
171.11696	9.5
173.09592	1.9
173.13226	5.5
174.37572	1.0
175.11177	1.6
181.10118	4.4
183.11691	5.6
185.13324	5.6
187.14841	3.0
193.10239	1.4
193.12140	2.6
195.11729	3.6
197.13257	5.8
199.11200	1.6
199.14851	2.4
209.13287	3.0
211.14832	4.6
215.14209	1.5
223.14848	3.0
225.16443	1.4
227.14284	2.3
229.16045	1.6
233.15399	2.4
235.14740	1.3
237.16353	1.8
241.15924	2.0
243.17534	1.2
245.15411	1.4
247.16992	3.5
255.17726	1.2
261.18588	1.3
273.18436	3.4
313.63593	1.2
325.25195	3.9
335.23651	4.3
343.26242	4.8
353.24692	17.4
354.25366	1.4
371.25821	17.7
377.21365	1.1
389.26810	18.3
427.28253	4.5
445.29477	100.0
446.29819	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	445.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
55.01869	1.7
55.05505	15.9
57.03440	3.1
65.03887	1.5
67.05497	40.7
69.03385	1.9
69.07059	12.9
69.61181	1.5
71.04977	3.1
78.08206	1.6
79.05482	40.7
81.03391	2.7
81.07047	38.6
83.04972	2.8
83.08606	8.1
85.06519	2.3
91.05456	52.5
93.07033	36.3
95.04947	8.9
95.08603	24.3
97.06493	3.7
97.10159	3.4
98.22614	3.7
99.08076	1.7
103.05463	2.5
105.04536	3.1
105.07018	47.4
107.04951	3.3
107.08589	16.8
109.06519	4.2
109.10114	10.2
111.08109	2.9
115.05411	3.4
117.07008	22.6
119.08563	29.3
121.06526	4.0
121.10149	8.7
123.08063	3.7
128.06239	3.4
129.06984	17.4
131.08556	38.9
131.09467	3.2
133.06506	3.5
133.10110	12.6
135.08080	3.5
135.11690	4.2
141.06955	3.5
143.08557	15.8
145.10106	24.2
147.08028	3.1
147.11690	6.0
149.13382	1.8
155.08559	9.2
157.10141	12.2
159.08076	1.8
159.11684	8.7
160.41075	1.6
161.09627	3.1
161.13211	2.4
167.08583	4.8
169.10147	9.0
171.11644	8.6
173.09619	2.0
173.13248	4.3
181.10115	4.6
183.11690	5.4
185.13324	4.8
187.11183	2.0
187.14806	4.1
195.11726	5.1
197.13213	5.4
199.14835	3.4
209.13167	2.5
211.14851	3.2
213.12978	2.0
222.30852	1.5
223.14798	4.0
225.16397	2.6
233.15363	2.0
237.16406	2.0
247.16968	3.4
261.18530	3.0
318.07678	1.9
325.25113	3.4
335.23694	5.9
343.26285	4.1
353.24719	19.0
359.02859	3.1
371.25729	19.6
389.26892	16.3
427.28516	5.7
445.29483	100.0
446.29813	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	445.3676
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03930	1.8
55.01877	2.5
55.05511	12.5
57.07061	1.7
63.68805	1.2
65.03925	2.5
67.05498	19.9
69.07066	16.5
70.54472	1.8
71.04986	2.3
79.05486	18.6
81.03381	1.8
81.07047	22.5
83.04982	3.9
83.08611	4.0
85.06538	2.2
91.05458	20.6
93.07040	29.3
95.04958	3.4
95.08600	34.0
97.06532	2.8
97.10163	9.7
103.05475	1.6
105.07024	28.0
107.04895	1.8
107.08584	41.6
109.06504	2.1
109.10146	19.4
111.08083	1.7
113.97159	1.3
115.05468	1.5
116.33691	1.3
117.07017	7.0
119.08571	26.7
121.06510	1.5
121.10138	29.2
123.08072	2.0
123.11690	7.1
125.09616	2.0
128.06186	2.2
129.06995	3.9
131.08554	14.7
133.06445	1.7
133.10123	20.9
135.07959	2.1
135.11682	25.9
135.12666	2.6
136.12013	1.7
137.13237	2.9
139.11157	7.5
141.06927	1.5
143.08557	6.8
145.10112	20.5
145.73447	1.3
147.08037	2.3
147.11690	15.3
149.09598	3.1
149.13208	6.4
153.12733	5.7
155.08531	4.1
157.10115	7.5
158.10519	1.3
159.11674	21.0
161.13263	11.1
163.11208	2.4
163.14824	25.1
169.10149	2.7
171.11656	4.8
173.13222	7.7
175.14830	7.0
177.16345	4.0
179.14301	1.7
181.10109	1.9
181.15871	23.5
183.11732	3.9
185.13220	3.9
187.14783	11.7
189.12704	1.5
189.16367	4.5
191.14278	2.1
191.17923	5.1
197.13272	2.8
199.14854	2.4
201.16365	30.5
201.18121	2.5
203.17935	29.7
204.18298	1.7
209.13309	1.2
211.14781	3.0
213.16408	3.6
215.17952	1.7
219.17415	36.2
220.17699	1.4
225.16455	2.5
227.17975	8.8
229.19511	4.4
237.18460	19.8
239.17992	2.1
241.19423	2.5
245.18910	1.5
247.20494	3.9
253.19577	2.7
267.21054	2.0
281.22665	2.6
283.24185	3.0
295.23996	1.5
335.23831	1.7
343.26334	1.8
353.24832	5.2
359.02820	1.5
371.25751	4.2
389.26996	5.4
391.33517	12.2
409.34613	100.0
410.34854	6.2
427.35626	16.9
444.50766	1.5
445.29373	28.0
445.36560	8.6
445.41873	1.8
446.29620	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	445.3673
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.01861	2.0
55.05510	7.9
57.07076	1.7
57.57264	1.1
67.05487	9.4
69.03415	1.7
69.07058	16.4
69.61309	5.5
73.04749	1.8
76.44647	1.1
79.05496	8.2
81.07053	20.7
82.92025	1.3
83.04988	2.3
83.08591	6.3
85.06532	2.0
88.03222	1.2
91.05437	9.2
93.07036	26.3
95.04993	1.8
95.08595	35.1
95.09216	1.8
97.06533	2.0
97.10159	7.7
101.05959	1.4
105.07011	14.1
107.08587	41.2
108.08958	1.6
109.06490	1.1
109.10135	18.9
111.08074	1.3
111.11703	2.2
117.07018	2.7
119.08583	20.8
121.10146	25.2
123.11690	6.9
125.09614	3.5
129.07004	2.1
131.08559	5.5
133.10123	18.4
135.11679	27.0
137.13258	1.7
139.11169	8.2
143.08563	3.0
144.09363	1.9
145.10117	13.3
147.11691	14.0
149.09641	1.4
149.13220	6.6
153.12737	4.7
157.10094	4.0
159.11694	17.6
161.13220	9.9
163.11127	1.7
163.14793	27.3
165.16402	1.4
167.05400	1.5
171.11703	3.5
173.13234	9.1
175.14844	5.2
177.16377	2.9
179.14371	2.3
181.15849	21.5
183.11684	2.0
185.13226	3.5
187.14780	12.8
188.15178	2.0
189.16379	4.7
191.14339	1.7
191.17982	5.9
197.13345	1.9
199.14819	1.8
201.16367	30.4
202.16731	1.3
203.17921	29.3
204.18240	1.9
213.16310	5.9
215.17967	5.3
215.38718	1.3
219.17413	39.5
221.19031	1.6
225.16438	3.8
227.17978	6.5
229.19531	3.9
237.18460	20.0
241.19571	4.1
247.20520	2.6
253.19548	3.6
265.21738	2.0
267.20953	3.0
281.22632	3.4
283.24216	4.7
391.33435	9.9
409.34610	100.0
410.34808	9.5
416.16693	1.2
427.35559	15.8
445.29266	11.4
445.36621	7.9
445.41946	1.6
446.29703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
57.03436	0.8
61.02900	0.7
69.03423	4.8
69.82625	0.9
69.82974	1.2
71.04986	0.6
73.04741	1.2
75.96594	0.5
79.01827	2.2
81.03407	7.8
85.02893	4.7
91.05798	3.0
97.02881	6.9
99.04425	0.9
103.05442	1.1
107.01299	1.0
108.08088	0.8
109.02855	5.9
109.71984	0.5
125.02322	3.6
127.03892	7.9
131.04890	3.0
143.03372	5.2
145.04927	2.2
152.07056	1.4
153.01807	100.0
153.02846	4.0
154.02170	2.4
163.07507	1.0
167.05583	1.3
168.05574	0.6
170.08008	0.8
171.02859	14.2
177.05363	0.6
196.40814	0.5
220.04327	1.0
222.02155	5.0
225.04210	0.5
226.04274	0.6
227.22914	0.4
238.72057	0.5
245.05621	0.5
249.10966	0.7
266.04770	8.9
284.05853	10.0
297.06021	10.7
315.01389	0.6
315.07031	16.7
316.07361	0.6
341.71304	0.5
359.02786	0.6
360.02948	2.1
413.83353	0.5
428.10034	1.1
446.10025	2.6
446.16113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
53.03942	1.0
55.01861	0.9
57.03423	0.8
61.02915	0.6
67.77909	0.5
69.03423	3.2
70.54250	0.8
71.04988	0.6
73.02934	1.1
81.03410	3.8
85.02903	8.7
87.00841	3.8
91.05825	0.6
95.04979	0.9
97.02895	4.4
99.04435	1.5
103.05461	33.1
105.01855	3.6
108.04476	1.0
109.02883	3.1
127.03899	7.5
131.04918	100.0
132.05270	3.6
135.04408	1.4
137.05966	0.5
139.03889	0.8
145.04945	3.5
153.01866	0.5
159.02881	2.3
163.03958	1.0
163.07527	47.8
164.04401	0.5
164.07916	0.9
181.04961	1.1
183.50574	0.4
231.04959	1.1
261.42337	0.4
363.32947	0.6
373.11047	0.9
425.74319	0.5
446.16595	1.5
447.14511	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76731	0.4
53.03932	1.6
53.14873	0.4
54.15679	0.4
55.01859	1.3
69.03429	2.9
70.06587	0.6
71.31969	0.6
73.02904	0.6
73.04750	1.2
74.38452	0.5
81.03407	4.1
85.02896	6.5
87.00819	1.9
87.04434	0.5
89.06008	1.5
91.05824	0.8
92.91264	0.7
95.04952	1.2
97.02893	2.4
99.04437	1.6
102.59874	0.5
103.03936	2.0
103.05458	34.2
104.05785	0.8
104.88069	0.5
104.94398	0.5
105.01831	0.9
107.08569	0.6
107.55211	0.5
108.04460	0.8
109.02863	3.4
111.08175	0.6
121.02810	0.7
127.03908	3.6
131.04916	100.0
132.05238	2.6
133.08614	1.1
138.05476	0.6
145.04947	1.8
153.01880	0.7
159.02878	1.6
163.07526	49.0
164.07961	1.3
167.05621	0.8
167.07088	0.5
171.04660	0.5
203.03392	0.5
231.02835	1.7
249.50534	0.6
259.02298	3.1
275.01886	0.6
276.02869	0.6
277.03360	8.0
277.06091	0.8
303.01242	1.6
329.81027	0.5
360.02908	1.1
446.21008	2.4
447.05502	0.7
447.18271	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	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03936	1.2
55.01862	0.9
56.40434	0.4
57.03432	0.6
63.63492	0.4
68.99823	0.4
69.03434	2.6
70.80016	0.5
71.04993	0.5
73.02892	0.7
73.04759	0.6
77.03925	0.7
79.05462	0.5
81.03416	2.8
85.02898	5.3
87.00808	2.2
91.05778	1.2
94.01811	0.3
95.04947	1.3
97.02876	2.6
99.04433	1.0
103.05458	32.7
104.05785	0.9
105.01859	1.5
108.04483	0.5
109.02872	2.4
117.01839	0.5
121.02799	0.7
126.05516	0.6
127.03912	4.1
130.69684	0.4
131.04916	100.0
132.05263	3.0
137.05977	0.7
138.05406	0.6
145.04948	1.3
153.01875	0.6
159.02882	1.2
163.07527	44.0
164.07855	1.4
203.03285	0.6
213.02022	0.4
231.02832	1.9
259.02325	1.9
275.01913	0.5
277.03406	7.3
303.01221	1.9
446.20984	0.9
447.18011	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99168	0.7
58.99850	0.9
69.03414	1.6
69.79706	2.8
73.57143	0.8
81.03438	1.1
82.01467	1.7
84.03011	5.1
84.04535	0.8
86.00962	1.6
93.94808	0.8
99.04424	0.8
100.02482	11.6
102.04041	13.7
112.02479	1.1
118.03510	25.2
119.03656	1.1
120.05081	3.7
123.04047	1.1
125.05624	2.0
126.04087	0.9
130.03487	2.6
132.05093	3.5
136.04547	12.0
141.05075	24.1
141.06158	1.6
142.03493	1.8
143.06645	31.8
144.05038	4.0
148.04553	0.9
150.06134	2.5
157.03458	0.9
159.06148	24.6
160.06357	1.0
161.07713	45.3
162.06178	0.9
162.07899	2.7
169.04643	3.2
183.06195	1.3
187.05626	86.9
188.05775	4.2
196.04501	2.1
205.06680	66.2
206.06854	3.3
213.10762	1.2
214.05609	1.9
216.07143	0.9
221.07755	1.2
222.06050	0.9
223.09224	1.6
224.07744	1.6
229.06735	1.3
239.08743	27.0
239.11166	1.5
240.09019	2.5
249.07071	1.2
257.09818	4.8
263.95221	1.2
267.08234	34.9
268.08444	2.5
285.09286	100.0
286.09503	8.6
303.10294	2.6
305.05109	3.7
308.10870	1.9
321.02451	1.1
327.10349	99.0
328.10480	8.5
339.10358	1.8
342.99554	1.4
348.96844	1.4
349.10849	2.5
357.11282	5.3
361.00259	5.0
387.12375	2.2
447.00208	1.1
447.14529	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	447.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28563	0.2
54.72550	0.2
59.53863	0.3
71.41409	0.3
73.04745	1.4
76.63395	0.3
83.78269	0.2
84.08144	0.6
91.05788	3.6
93.05446	0.6
97.02917	0.3
123.04414	0.5
127.12280	0.3
149.02330	0.8
153.01794	1.6
156.70425	0.3
156.71838	0.3
167.05544	0.9
225.04262	0.3
271.05899	0.4
277.03491	0.4
315.10449	6.3
317.08264	0.8
361.02609	2.1
447.14667	100.0
448.14978	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	447.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01863	0.8
55.05506	1.7
57.03426	1.9
59.04996	0.5
61.02922	2.2
67.05500	1.3
69.03431	5.9
69.07043	0.8
69.29855	1.2
69.30267	1.1
71.04987	0.8
73.02919	1.4
73.06541	1.8
79.01837	3.8
79.05482	1.5
81.02956	0.7
81.03411	8.9
81.07059	2.3
83.04976	1.6
83.08583	0.7
85.02900	7.5
91.03973	0.5
91.05456	2.4
93.07036	1.1
93.34652	0.5
95.04964	0.9
95.08602	1.3
97.02886	6.8
97.06529	0.7
99.04424	1.4
101.06013	2.7
105.07020	1.6
107.01325	2.1
107.04951	0.6
107.08585	1.3
109.02864	6.1
109.10107	0.5
111.08067	0.9
115.07552	1.5
117.07012	0.5
119.08566	1.4
123.11680	0.6
125.02330	3.3
127.03033	0.7
127.03912	8.5
131.08513	1.0
133.08591	1.4
133.10139	1.1
143.03386	7.1
145.04936	1.6
145.06332	0.4
145.10138	0.5
147.11671	0.7
153.01814	100.0
153.02867	4.6
154.02138	1.8
157.10164	0.5
171.02864	11.0
175.11215	0.9
193.12239	1.8
211.13263	1.9
267.15591	0.4
285.16943	1.7
297.06049	6.4
315.07065	8.6
429.29648	0.8
447.17242	0.5
447.21509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1624
Annotation	Gefitinib
Peak:m/z	Relative Intensity
57.03430	0.5
69.03416	0.9
69.07062	0.6
73.02902	0.6
73.04747	0.7
81.03405	1.2
83.04915	0.5
85.02893	0.6
86.09720	1.6
91.05807	1.0
97.05952	0.4
98.23084	3.1
103.05425	0.5
109.02853	0.5
123.07094	0.4
131.04955	1.0
132.05254	0.6
137.05925	0.9
149.02310	0.7
153.01822	1.9
163.07484	1.2
177.05295	0.8
178.64978	0.5
180.70543	0.5
193.12251	0.6
205.04703	23.6
235.05818	1.7
250.08093	20.6
251.08730	1.9
259.02371	0.5
277.03348	1.0
285.11099	0.6
297.11163	1.2
303.01031	0.7
305.36465	0.4
341.56631	0.4
361.02545	1.1
388.85382	0.5
399.13983	0.9
447.16223	100.0
448.16510	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	447.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
69.03416	0.9
69.07062	0.6
73.02902	0.6
73.04747	0.7
81.03405	1.2
83.04915	0.5
85.02893	0.6
86.09720	1.6
91.05807	1.0
97.05952	0.4
98.23084	3.1
103.05425	0.5
109.02853	0.5
123.07094	0.4
131.04955	1.0
132.05254	0.6
137.05925	0.9
149.02310	0.7
153.01822	1.9
163.07484	1.2
177.05295	0.8
178.64978	0.5
180.70543	0.5
193.12251	0.6
205.04703	23.6
235.05818	1.7
250.08093	20.6
251.08730	1.9
259.02371	0.5
277.03348	1.0
285.11099	0.6
297.11163	1.2
303.01031	0.7
305.36465	0.4
341.56631	0.4
361.02545	1.1
388.85382	0.5
399.13983	0.9
447.16223	100.0
448.16510	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05507	5.6
57.03427	14.0
61.02908	4.0
62.41385	3.9
67.05497	3.8
69.03425	14.5
69.07093	3.2
69.77395	3.1
71.04987	77.7
71.43515	3.2
73.02890	6.8
75.04475	10.3
79.05478	28.2
81.03413	13.2
81.07047	13.1
83.04968	13.4
85.02895	100.0
91.05420	20.3
93.07039	93.5
93.07605	6.0
94.07349	3.3
95.04986	9.7
95.08613	7.3
97.02883	13.1
97.06536	4.5
101.06002	10.6
105.07000	16.9
107.08587	21.4
109.02880	10.2
119.08591	10.5
121.06478	4.9
121.10129	84.0
123.08084	4.9
123.11665	5.3
127.03924	10.5
129.05479	33.9
131.08565	6.0
133.10135	4.3
135.08043	3.4
137.08093	4.2
139.11165	5.3
145.04962	10.8
145.10136	4.7
147.06525	24.6
147.07579	3.6
149.09599	45.0
151.72002	3.5
153.01825	15.5
163.07509	3.4
164.09183	5.0
167.06972	19.7
167.10683	10.7
180.17868	3.8
285.17984	4.0
287.87631	3.5
293.13727	5.3
311.14948	9.8
429.28625	3.7
446.29532	3.7
447.21677	19.1
447.30261	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01854	2.2
55.05502	8.5
57.03433	4.1
59.05000	3.7
61.90520	2.4
67.05492	6.5
69.03423	15.5
69.07056	8.6
71.04987	7.1
71.43002	2.0
73.02924	2.5
75.04449	2.9
78.02675	2.0
79.05481	31.0
81.03404	14.3
81.07050	9.1
83.04960	7.0
85.02899	16.8
88.03964	2.9
91.05464	20.4
93.07037	100.0
94.07368	2.5
95.04950	10.7
95.08593	6.9
97.02903	12.0
97.06518	2.3
99.08080	2.0
101.06001	8.0
103.05450	1.9
105.04527	3.4
105.07014	18.3
106.02901	4.4
107.04916	4.4
107.08594	27.3
109.02869	7.3
109.06523	5.0
109.10165	6.2
111.08090	2.9
119.08576	11.6
121.06517	4.8
121.10136	91.4
122.03687	1.9
122.10503	3.2
123.08054	5.5
124.03948	6.5
127.03906	7.6
129.05473	2.6
129.06918	2.0
131.08559	11.1
133.10094	4.7
135.11665	3.2
137.05965	8.1
139.11151	4.9
143.08580	2.8
145.04976	4.5
145.10110	4.5
147.11678	2.2
149.09599	38.9
149.10681	3.6
151.03917	13.8
153.01781	5.6
155.49620	2.2
157.10103	3.1
161.09618	2.6
167.10651	13.7
173.09694	2.2
183.06502	3.7
189.08986	2.4
224.85684	2.1
237.12486	2.4
268.08237	4.2
293.13931	6.6
311.14880	11.1
331.67218	2.2
373.22849	4.1
411.28824	8.0
429.29898	9.1
447.30338	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01854	2.2
55.05502	8.5
57.03433	4.1
59.05000	3.7
61.90520	2.4
67.05492	6.5
69.03423	15.5
69.07056	8.6
71.04987	7.1
71.43002	2.0
73.02924	2.5
75.04449	2.9
78.02675	2.0
79.05481	31.0
81.03404	14.3
81.07050	9.1
83.04960	7.0
85.02899	16.8
88.03964	2.9
91.05464	20.4
93.07037	100.0
94.07368	2.5
95.04950	10.7
95.08593	6.9
97.02903	12.0
97.06518	2.3
99.08080	2.0
101.06001	8.0
103.05450	1.9
105.04527	3.4
105.07014	18.3
106.02901	4.4
107.04916	4.4
107.08594	27.3
109.02869	7.3
109.06523	5.0
109.10165	6.2
111.08090	2.9
119.08576	11.6
121.06517	4.8
121.10136	91.4
122.03687	1.9
122.10503	3.2
123.08054	5.5
124.03948	6.5
127.03906	7.6
129.05473	2.6
129.06918	2.0
131.08559	11.1
133.10094	4.7
135.11665	3.2
137.05965	8.1
139.11151	4.9
143.08580	2.8
145.04976	4.5
145.10110	4.5
147.11678	2.2
149.09599	38.9
149.10681	3.6
151.03917	13.8
153.01781	5.6
155.49620	2.2
157.10103	3.1
161.09618	2.6
167.10651	13.7
173.09694	2.2
183.06502	3.7
189.08986	2.4
224.85684	2.1
237.12486	2.4
268.08237	4.2
293.13931	6.6
311.14880	11.1
331.67218	2.2
373.22849	4.1
411.28824	8.0
429.29898	9.1
447.30338	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	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.4
57.07067	17.5
67.05498	52.3
69.07066	13.9
69.55805	30.4
70.06584	28.3
72.95881	7.8
75.88802	6.9
79.05496	25.3
81.07058	43.7
83.08625	9.3
88.07624	25.6
91.05463	17.1
93.07033	36.6
95.08595	38.5
102.09167	18.7
105.07063	10.1
107.08578	22.2
109.10154	17.5
113.00002	100.0
115.43456	6.7
119.08588	18.5
121.10131	17.0
131.08569	16.3
133.10115	9.2
135.11720	11.6
136.92964	8.5
163.14809	7.7
169.02612	29.1
172.95285	9.0
187.03635	10.7
219.17442	7.1
241.95653	6.8
261.22119	18.9
317.24435	10.1
335.25766	83.9
336.26089	8.7
340.35690	58.9
341.35977	25.7
406.04715	7.3
428.41153	9.9
443.95358	7.4
446.41943	84.5
447.42606	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.6
53.03932	7.3
55.01855	6.9
55.05506	26.3
57.03428	13.6
57.07067	2.1
60.59725	1.4
65.03918	2.8
67.05497	73.8
69.03416	5.8
69.07065	15.2
70.70036	3.5
71.01338	4.1
71.04984	4.5
79.05482	63.0
81.03408	100.0
81.07043	37.3
83.04980	13.9
83.08608	24.8
85.06525	4.8
91.05467	48.4
93.06438	3.4
93.07028	55.5
95.04963	43.8
95.08581	14.7
97.02893	4.1
97.06510	14.5
97.10159	15.0
99.08114	2.7
105.04494	2.2
105.07013	26.8
107.04944	14.9
107.08580	38.1
109.06531	8.2
109.10144	11.9
111.04429	2.6
111.08089	11.5
115.05416	3.2
117.07025	10.8
118.60090	1.8
119.04973	1.9
119.08569	19.6
121.06471	10.8
121.10137	15.7
123.08092	2.5
125.09589	8.9
127.66344	1.8
128.06166	2.3
129.06973	15.0
131.04875	2.9
131.08543	15.3
133.06448	6.0
133.10135	11.3
135.08047	4.5
135.11679	47.9
136.12012	1.9
137.09647	4.3
141.06978	4.8
142.07765	3.0
143.08563	3.9
145.06503	5.0
145.10144	10.8
147.08025	8.0
147.11652	10.2
149.09631	7.2
155.08582	2.9
157.10118	14.2
158.36896	1.7
159.08061	4.3
159.11703	3.1
161.09563	2.6
163.11131	10.5
165.12704	3.8
169.10052	2.2
171.08078	2.6
175.11150	14.7
181.12198	7.0
183.11679	3.1
185.13246	5.5
187.11147	2.6
189.11162	5.7
193.12198	43.7
197.13332	2.3
203.14348	3.0
205.12170	1.8
219.13806	2.0
225.12663	2.0
227.12706	4.3
249.14896	6.5
257.15521	1.7
313.21600	2.0
329.21155	4.8
337.21790	4.1
347.22125	2.3
355.22629	13.3
373.23749	6.4
403.25034	2.9
429.26184	10.7
447.27371	90.9
448.27609	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	447.3106
Annotation	Hyousterone B
Peak:m/z	Relative Intensity
53.03935	1.9
55.01865	2.9
55.05505	11.5
57.07059	2.0
63.75951	1.6
65.03929	2.4
67.05501	31.5
69.03404	1.7
69.07066	34.5
71.04987	3.8
71.08611	2.1
75.72160	1.4
77.03940	1.4
79.05488	18.2
81.07053	47.4
83.04975	3.3
83.08603	8.2
85.06510	2.1
90.12847	1.5
91.05438	15.5
93.07042	32.3
95.04964	6.8
95.08601	39.5
95.09210	1.9
97.06532	9.0
97.10164	4.1
99.08089	5.3
103.05484	1.8
105.07024	29.0
107.04932	2.8
107.08582	31.5
109.06558	8.5
109.10151	100.0
110.10480	3.7
111.08065	7.3
111.11707	2.1
117.07018	9.4
118.42564	1.3
119.04969	1.9
119.08570	19.6
121.06529	10.9
121.10136	21.2
123.08061	10.3
123.11692	7.8
125.09635	7.8
127.11177	12.2
127.46231	1.5
128.06223	1.9
129.07008	5.0
130.07764	2.0
131.08556	17.7
133.06439	2.6
133.10118	16.5
135.08040	5.6
135.11682	15.6
137.05963	4.7
137.09615	3.8
137.13269	3.0
141.06941	1.9
143.08549	15.3
143.10686	2.5
145.06381	2.1
145.10117	20.9
147.08020	9.3
147.11693	11.0
149.02368	1.6
149.09641	4.9
149.13268	8.1
151.11142	3.8
153.01830	2.5
155.08578	5.1
157.06595	1.6
157.10158	8.4
159.08067	7.3
159.11693	14.8
161.09644	9.7
161.13260	12.7
163.11185	4.3
163.14804	3.7
167.08479	1.7
169.10124	6.3
171.08107	8.1
171.11693	8.4
173.09605	19.4
173.13190	8.3
175.11198	8.0
175.14871	1.4
177.09198	1.5
177.12701	3.4
177.16371	4.5
179.14276	11.4
181.10069	3.4
182.10936	1.8
183.11749	5.8
185.09782	2.1
185.13287	5.8
187.11163	13.4
187.14825	5.9
189.09135	3.3
189.16411	3.2
191.10640	12.0
195.11763	5.0
197.13260	6.7
199.11226	4.2
199.14845	6.8
201.12756	4.8
201.16393	2.2
205.12149	3.9
205.15840	2.4
207.17441	3.3
209.13330	4.2
211.11203	3.5
211.14749	2.8
213.12614	7.3
215.14323	15.6
215.17924	1.6
217.12401	2.4
223.11377	1.9
225.12822	2.3
225.16251	2.4
227.14409	4.4
231.13873	7.8
233.15321	18.9
235.14893	2.0
237.16403	3.6
239.14363	2.8
239.17830	3.0
241.15881	2.9
243.13734	2.4
245.15474	3.4
249.14914	6.8
251.14188	2.2
253.15883	2.4
257.96768	2.0
263.16306	7.8
265.15829	1.8
267.17517	5.7
269.15579	2.1
269.19183	2.2
279.15857	3.0
283.16956	3.8
285.18420	9.0
294.67963	1.7
301.17783	7.3
302.18677	11.8
303.19211	3.4
329.21051	4.1
337.21570	6.1
343.22473	2.1
355.22626	9.2
359.22275	1.7
361.23367	3.7
373.23682	13.6
375.26904	8.6
393.27802	20.4
401.30579	3.6
411.28873	39.5
412.29184	3.9
429.29965	65.5
430.30273	5.3
447.22116	8.0
447.31039	67.1
448.31223	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	447.3104
Annotation	Tupichigenin E
Peak:m/z	Relative Intensity
55.01854	2.9
55.05500	11.0
57.07052	3.1
58.93264	2.3
59.04990	5.4
60.95537	2.4
62.59618	2.6
67.05495	24.3
69.03419	4.3
69.07067	30.6
71.04973	6.9
79.05487	16.0
81.03419	3.7
81.07051	78.5
82.07378	4.0
83.04971	4.7
83.08610	5.8
85.06536	4.0
91.05472	22.6
93.07041	36.5
95.04951	10.8
95.08603	29.9
97.02907	3.9
97.06518	11.6
97.10132	5.0
99.08071	18.6
103.51239	2.7
105.07026	34.0
107.04971	2.4
107.08589	35.8
109.06509	10.4
109.10149	66.9
111.08069	8.1
115.05466	3.3
117.06980	5.4
119.04905	3.1
119.08580	22.5
121.06502	7.6
121.10114	10.3
123.08047	7.9
125.09594	12.1
127.11171	14.1
129.05521	2.5
129.06985	6.2
131.08580	19.2
133.06459	4.6
133.10086	19.0
134.39857	2.4
135.08018	7.1
135.11659	10.5
137.02319	3.2
137.05994	4.8
137.09607	3.1
143.08562	13.0
143.10667	4.2
145.10124	22.1
147.08012	9.2
147.11671	25.0
149.09647	5.0
149.13225	6.4
151.11154	4.3
155.08560	8.9
157.10150	14.3
159.08015	7.4
159.11671	11.4
161.09613	12.0
161.13199	4.7
163.11134	5.0
165.07027	2.8
165.12724	14.1
167.08543	4.4
169.10107	5.6
171.08025	4.5
171.11703	8.1
173.09618	14.7
173.13295	7.0
175.11189	16.1
179.08662	2.6
181.10036	3.4
183.11673	8.8
185.09628	3.6
185.13260	7.2
187.11247	6.0
189.09081	4.4
189.12708	3.2
191.10738	3.4
193.10216	5.5
193.12175	3.1
195.11729	8.8
197.13239	13.9
199.11185	6.4
199.14767	7.3
201.12692	6.5
201.16306	2.8
207.11763	2.9
209.13281	6.4
210.32019	2.9
211.11250	4.9
211.14827	7.5
213.12735	4.7
213.16359	4.1
215.14322	8.1
223.11127	2.7
223.14954	4.3
225.12675	6.2
225.16330	3.9
227.14304	4.1
233.15421	6.2
235.14879	2.8
239.17967	8.5
245.15332	4.0
249.16351	7.8
257.18991	3.3
263.16388	3.1
267.17429	27.1
269.08075	7.6
269.18967	4.9
271.16867	3.3
283.16953	4.7
285.18466	100.0
286.18723	7.9
287.16797	3.3
287.19937	8.3
295.20578	3.9
297.11279	3.3
301.17993	6.8
303.19501	73.1
304.19873	3.9
313.21600	8.9
315.12299	8.2
337.21796	4.0
355.22449	7.9
373.23126	4.6
375.26965	4.8
381.27405	2.8
391.41815	2.9
393.27945	26.5
411.28857	56.6
429.29996	70.2
447.31076	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3103
Annotation	3-Dehydro-2-deoxyecdysone
Peak:m/z	Relative Intensity
53.03930	1.2
53.97098	0.7
54.04988	0.8
55.01862	3.2
55.05502	9.9
57.07067	2.0
59.04959	0.9
65.03935	1.3
67.05495	26.8
68.05800	0.9
69.03422	1.7
69.07058	41.5
69.46601	2.0
69.46980	1.6
71.04982	4.5
77.03915	1.4
77.22956	0.8
79.05479	12.7
81.07046	29.7
83.04974	1.4
83.08607	5.4
85.06565	1.4
91.05454	13.3
91.56510	1.0
93.07031	29.4
95.04958	4.4
95.08018	1.8
95.08595	26.7
96.25651	0.8
97.01215	0.8
97.06494	5.9
97.10162	1.3
99.04448	1.4
99.08091	1.7
103.05492	1.1
105.03362	0.9
105.04471	0.9
105.07015	24.1
107.04995	1.8
107.08581	23.1
109.06521	6.0
109.10137	77.5
110.10503	1.4
111.04390	0.8
111.08065	5.4
111.11692	2.3
113.09608	0.9
115.05418	1.0
117.07010	6.3
119.04910	1.7
119.08559	17.4
120.08884	0.9
121.06500	6.9
121.10124	16.3
123.04437	1.0
123.08054	6.5
123.11703	5.7
125.09587	1.4
127.03821	0.8
127.11171	9.9
128.06206	1.5
129.07008	5.2
131.08553	14.3
133.06482	1.9
133.10110	11.8
135.08028	5.1
135.11678	8.6
137.05960	3.2
137.09602	2.1
137.13193	1.1
141.06982	2.3
141.09052	0.9
142.07802	1.9
143.08553	10.0
144.09277	1.0
145.06480	4.0
145.10094	18.5
147.07991	8.5
147.11650	8.0
149.09595	2.6
149.13216	6.9
151.07550	1.9
151.11191	2.0
151.14821	1.1
155.08566	5.5
156.09308	1.8
157.06465	1.4
157.10109	9.1
158.07256	2.9
158.09006	0.8
159.08044	8.1
159.11658	12.5
161.09587	7.3
161.13231	11.3
163.11166	3.5
163.14795	2.5
165.12672	1.1
167.08517	1.7
169.10118	6.4
170.10846	1.0
171.08012	6.5
171.11671	7.1
172.08842	1.4
173.09589	17.1
173.13281	5.2
175.11119	4.6
175.14787	1.8
177.09094	1.1
177.12718	1.5
177.16367	3.9
179.08533	1.1
179.14291	8.3
180.09300	1.4
181.03947	1.1
181.10155	3.4
182.10912	1.6
183.11650	4.8
185.09572	4.1
185.13205	6.6
187.07478	1.1
187.11165	9.4
187.14821	4.2
189.09076	3.2
189.12721	2.2
189.16423	1.1
191.10628	10.1
193.10042	1.9
195.11687	6.4
196.12407	1.9
197.09572	2.4
197.13231	6.0
198.10367	1.5
199.11185	3.9
199.14760	5.4
201.12704	2.2
201.16394	1.2
203.10666	1.5
203.14287	1.1
205.10324	1.7
205.12257	4.7
205.15820	1.6
205.70279	0.9
207.11758	2.7
207.17485	3.2
209.09599	1.5
209.13260	2.8
211.11172	3.3
211.14807	2.5
212.11841	0.9
213.12723	5.8
213.16296	1.1
215.10854	0.9
215.14273	10.8
215.18004	0.8
217.15866	1.8
221.13310	2.4
223.11191	3.0
223.14786	3.7
224.11772	1.2
225.12849	4.5
225.16287	1.5
226.13484	1.0
227.14253	2.5
229.12216	1.0
229.15967	1.0
231.13786	6.2
233.13226	0.9
233.15335	14.3
235.11089	1.1
235.14766	1.2
236.11893	1.4
237.12688	1.5
237.16385	4.6
239.14301	3.7
239.17941	1.0
241.15900	2.7
243.13742	2.3
245.15459	1.5
247.14824	1.1
249.14760	4.1
250.13461	3.1
251.14227	1.3
251.16460	2.3
253.15749	2.0
255.17314	1.9
257.19073	1.3
261.14706	1.6
265.15875	6.2
265.19540	0.9
267.17468	2.4
279.15738	1.5
281.18854	1.0
283.16901	18.1
285.14868	1.1
285.18607	1.5
293.18927	1.3
295.16837	1.1
297.18689	1.3
299.16431	1.5
301.17935	100.0
302.18375	6.2
303.19559	2.4
307.20758	1.7
315.19510	0.9
319.20532	1.3
325.21692	3.1
327.19580	2.8
328.20261	2.7
329.21033	2.3
335.23706	1.5
337.21600	4.4
341.21014	1.3
342.21866	2.0
343.22592	2.2
352.57123	1.0
353.24823	1.0
355.22662	6.7
361.23767	3.2
362.96600	1.0
373.23566	5.9
375.26837	3.5
393.27850	13.8
401.30496	2.1
411.28879	80.1
412.29355	5.8
429.29932	54.3
430.30148	4.8
447.17007	1.1
447.30984	34.6
448.31448	3.2
449.12787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3105
Annotation	Tupichigenin E
Peak:m/z	Relative Intensity
55.01870	2.4
55.05522	6.1
65.03935	1.8
67.05503	14.0
69.01256	1.3
69.03429	3.0
69.07060	11.1
69.32215	6.4
71.04989	4.9
73.06541	1.2
79.05498	11.1
81.03414	1.9
81.07046	27.7
81.07495	1.8
83.04993	2.3
83.08620	2.9
85.02893	2.9
85.06540	3.3
91.05474	13.6
93.07035	22.0
95.04968	5.2
95.08596	25.1
97.06535	5.8
97.10135	2.8
99.08092	1.2
105.07028	23.1
107.04947	2.9
107.08595	23.0
109.02872	1.8
109.06516	2.4
109.10142	25.1
111.08085	4.2
115.07571	1.6
117.07008	3.7
119.08570	17.8
121.06499	5.7
121.10131	9.2
123.08065	5.6
123.11716	2.2
125.05975	1.8
125.09620	10.2
127.11187	2.0
128.06216	3.1
129.06987	4.3
130.07733	2.0
131.08566	17.4
133.06509	2.7
133.10123	12.3
135.08051	4.0
135.11705	5.5
137.06039	1.8
137.09592	1.8
139.07516	2.1
141.06961	1.7
142.07784	2.9
143.08562	10.2
143.10670	7.8
145.06500	2.9
145.10118	14.0
147.08052	5.2
147.11694	6.0
149.09622	2.6
149.13232	3.4
155.08545	7.0
156.09326	1.6
157.10088	8.2
159.08043	6.6
159.11729	11.3
161.09596	7.2
161.13231	3.9
163.11214	3.1
167.08592	1.6
169.10133	3.9
171.08029	3.4
171.11646	6.2
173.09627	9.6
173.13272	3.7
175.11154	8.4
175.14854	5.1
177.12756	3.9
179.14272	2.1
181.10095	3.3
183.11697	5.0
185.09610	3.1
185.13261	4.7
187.11169	3.2
189.12798	3.8
191.10750	2.6
193.10120	1.4
193.12263	2.1
194.10915	1.4
195.11732	3.6
197.09573	1.9
197.13249	4.7
199.11192	3.6
199.14836	5.6
201.12758	2.9
203.10783	1.3
203.14400	1.3
207.11690	2.5
209.13263	5.9
211.11226	2.6
211.14748	1.7
212.05391	1.3
213.12784	2.9
213.16367	1.6
215.14328	8.8
217.15894	5.8
221.13295	2.2
223.14835	2.5
224.11790	1.3
225.12805	1.7
225.16396	1.8
227.14153	1.3
231.13741	1.7
233.15388	4.5
235.14821	1.5
237.16429	2.4
239.14470	1.8
239.17970	3.4
241.15945	2.2
245.15306	1.2
249.16449	1.8
251.17784	1.5
253.15869	2.6
255.17094	1.6
265.15833	2.5
267.17404	21.2
268.17593	1.4
271.16931	13.5
283.16870	2.8
284.17715	1.8
285.18466	100.0
286.18842	5.0
287.19882	2.4
295.20508	3.4
301.18115	1.8
302.18811	4.2
303.19324	2.1
311.20004	1.7
312.20792	2.1
313.21503	3.0
325.21793	1.6
337.21405	2.4
353.24783	1.6
355.22256	1.5
375.26791	4.8
393.27820	21.2
408.38806	1.5
411.28931	76.6
412.29294	7.3
429.29947	59.8
430.30182	4.4
447.30994	30.8
448.31009	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	447.3105
Annotation	3-Dehydro-2-deoxyecdysone
Peak:m/z	Relative Intensity
53.03928	0.8
55.05508	3.8
57.07064	0.7
59.05010	1.4
60.29029	0.7
67.05499	7.6
69.03397	0.8
69.06709	1.2
69.07067	18.9
69.76291	0.7
69.76620	2.0
71.04962	1.3
72.19582	0.6
79.05482	4.8
81.03406	2.6
81.07053	10.7
83.04991	1.6
83.08615	1.6
85.02908	3.0
85.06531	0.8
90.71488	0.6
91.05472	6.0
93.07038	11.6
95.04957	3.3
95.08602	6.5
97.02859	1.2
97.06510	2.7
98.23422	0.6
99.04454	0.7
99.08106	0.7
103.05435	0.7
105.07037	7.2
107.04963	0.6
107.08575	5.0
109.06520	4.0
109.10157	17.4
111.04469	1.2
111.08068	2.0
111.11713	2.2
117.07002	2.5
119.04932	1.2
119.08557	6.4
121.06486	2.9
121.10139	3.4
123.08079	2.0
123.11731	1.5
125.09596	0.7
127.11172	6.1
128.06247	0.8
129.06982	1.8
131.08557	4.2
133.10123	3.7
135.08054	1.6
135.11682	2.1
137.05968	8.9
141.07042	0.9
143.08554	4.0
145.06458	1.0
145.10115	9.1
147.08032	1.6
147.11681	3.0
149.09622	1.6
153.09077	1.4
153.12672	0.7
154.07724	0.7
155.08530	2.7
157.10153	4.7
159.08063	2.4
159.11676	3.6
161.09593	2.3
161.13190	1.4
163.11159	1.1
165.06992	0.8
167.08502	1.3
169.10129	2.6
171.08080	1.2
171.11711	1.9
173.09587	5.9
173.13272	1.5
175.11166	0.8
175.14835	0.8
179.08452	0.7
181.10184	2.0
181.12135	0.8
183.11716	2.9
185.09615	1.5
185.13312	3.1
187.11201	2.3
187.14810	0.8
189.09169	1.2
191.10652	1.7
193.10100	1.5
193.12192	1.6
195.11685	3.2
197.09558	2.1
197.13219	2.9
199.11192	2.4
199.14737	1.3
201.12767	0.7
205.10016	1.1
205.12250	2.2
206.10904	0.8
207.11740	1.2
208.08794	1.0
209.09631	1.4
209.11548	1.5
209.13266	2.1
211.11134	1.9
211.14934	1.4
212.11885	0.8
213.12732	1.9
213.16333	0.9
215.10753	1.5
215.14264	1.3
219.13985	0.6
221.09616	0.7
221.13206	1.6
222.13919	0.7
223.11160	2.3
223.14891	1.1
225.12830	4.2
225.14682	1.1
227.14363	0.9
233.11661	1.1
233.15326	0.7
235.11212	1.7
235.14854	1.0
236.11903	1.2
237.12732	1.4
237.16399	3.2
239.14214	3.4
247.15001	1.1
249.12698	0.9
250.13533	2.3
251.12801	2.6
255.17438	0.9
255.21136	1.1
261.14886	1.0
265.15842	4.6
267.17429	1.4
277.15851	0.7
279.15997	3.1
283.16937	15.3
283.20105	1.5
285.18729	3.1
300.17191	1.4
301.17960	100.0
302.18332	5.5
303.19504	1.4
309.18390	0.8
313.18057	1.0
327.19528	1.7
328.20218	3.5
329.20981	1.3
341.21014	1.3
342.21832	1.4
343.22516	1.1
355.22476	3.2
373.22791	2.3
375.26855	0.9
393.27646	3.2
411.28900	59.6
412.29346	3.1
429.29987	19.5
430.30154	1.1
447.31046	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	447.3104
Annotation	Hyousterone B
Peak:m/z	Relative Intensity
52.92098	2.0
55.01884	5.0
55.05501	18.2
57.03444	2.5
57.07073	3.9
65.03949	3.1
67.05494	43.6
69.03422	5.3
69.07062	54.2
69.39801	11.3
71.04984	6.7
79.05494	19.1
81.03413	4.1
81.06563	3.1
81.07049	60.9
82.07375	2.8
83.04951	3.9
83.08623	8.7
85.02903	6.8
85.06536	3.5
86.09698	3.6
87.08044	1.7
91.05450	20.6
93.07033	52.1
93.07598	3.2
95.04964	9.5
95.08598	45.8
97.06501	11.9
97.10194	4.2
99.04437	5.1
99.08115	3.0
102.66572	2.0
103.05454	3.5
105.07017	47.4
107.04968	5.5
107.08588	42.1
109.02910	4.0
109.06511	10.2
109.10146	100.0
110.10450	3.3
110.25405	1.8
111.08083	7.2
111.11693	2.7
117.07024	12.5
119.08567	40.8
121.06478	11.9
121.10132	23.8
123.08039	11.7
123.11697	6.5
125.05926	2.4
125.09612	4.3
127.03873	3.7
127.11173	10.1
128.06238	4.4
129.07027	6.5
131.08571	19.4
133.06496	4.7
133.10129	22.4
135.08022	6.2
135.11682	20.1
137.05981	7.2
137.09570	5.3
137.13266	4.1
138.06409	2.5
139.07542	3.5
141.06934	2.6
141.09169	2.9
141.47293	2.5
142.07748	4.5
142.79633	2.0
143.08569	15.6
144.09319	3.6
145.06464	5.7
145.09096	3.8
145.10117	34.2
147.08044	11.1
147.11658	22.8
149.09616	6.9
149.13268	9.6
151.11165	2.7
153.07048	2.1
155.07248	2.7
155.08467	11.2
157.10085	11.6
158.07292	3.5
159.06903	1.9
159.08031	11.3
159.11693	22.3
161.09605	12.7
161.13251	17.7
163.11186	6.6
163.14819	5.3
165.12740	4.8
167.08623	2.2
169.10136	8.4
171.08046	7.7
171.11664	8.2
172.11858	3.1
173.09587	24.8
173.13293	9.6
175.11197	9.6
175.14896	3.1
177.12704	5.0
177.16417	4.0
179.08514	2.3
179.14320	8.9
181.10164	4.4
182.10959	2.8
183.08072	2.6
183.11667	6.0
185.09520	2.8
185.13268	7.5
187.11147	14.6
187.14865	6.5
189.09071	4.7
189.12798	4.5
189.16397	2.7
191.10651	10.4
195.11688	7.9
195.13617	2.7
197.09668	2.7
197.13280	9.3
199.11143	7.3
199.14857	9.1
201.12775	6.9
201.16507	4.1
205.12189	7.4
207.11722	4.3
209.13319	7.3
211.11241	3.5
211.14812	4.3
213.12755	11.3
213.16307	3.4
215.10645	3.1
215.14278	15.3
217.15999	2.9
223.14853	3.0
225.12767	5.8
227.14317	4.5
229.15947	4.5
231.13823	9.4
233.15340	21.7
239.14436	3.2
239.17854	4.5
241.15810	2.8
241.19371	3.4
245.71350	2.4
249.14960	3.1
251.16418	2.8
255.17458	3.8
259.13110	2.5
267.17450	8.6
269.19000	3.3
271.16995	2.9
273.18484	2.5
283.16873	9.7
284.17499	3.8
285.18442	10.8
287.16434	3.0
287.19803	3.0
297.18506	2.2
301.17926	25.8
302.18692	21.5
303.19351	8.1
316.16373	2.9
325.21664	6.1
337.21515	6.7
343.22836	5.4
347.22141	2.5
355.22711	6.0
361.23758	6.2
373.23480	5.0
375.26840	5.1
383.29504	2.3
393.27811	27.4
401.30484	4.9
411.28867	63.2
429.29959	73.9
430.29950	5.2
447.31009	58.7
448.31360	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	448.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76150	1.3
53.03943	7.0
55.01868	11.6
57.03430	9.2
58.52544	1.4
61.02915	6.6
63.86127	1.4
64.21115	1.4
66.76240	1.4
67.69971	1.4
68.99781	4.0
69.03059	2.8
69.03420	37.9
71.04986	3.9
73.02911	9.2
81.03410	39.2
85.02895	100.0
86.03275	1.4
87.00819	41.9
91.03947	2.3
93.07030	1.6
95.04961	7.3
97.02879	42.2
98.06051	2.0
99.04431	14.7
105.01853	44.6
105.07027	5.7
107.04939	1.7
108.04469	7.0
109.02864	33.4
117.01856	4.7
127.03899	70.2
129.01816	4.9
131.04913	2.6
133.06488	9.7
137.05957	24.2
145.04945	34.4
147.02849	4.1
147.08028	1.9
149.05989	1.8
151.07477	8.1
153.01836	11.0
154.08644	3.1
159.02855	20.4
159.08141	2.0
161.05981	3.6
163.07520	4.6
165.09143	8.6
167.07085	3.1
169.06609	2.0
174.06802	1.4
175.07495	5.2
179.07072	2.3
183.10156	9.6
187.07545	1.7
189.04012	1.5
189.09090	6.2
191.07002	3.1
199.07587	2.1
203.07111	2.8
203.10602	1.6
207.10135	15.1
213.03954	3.0
213.11128	1.7
219.10146	1.8
225.11177	11.6
229.08655	1.9
231.04959	14.8
248.07599	1.7
249.05971	2.3
249.11217	7.9
266.08850	2.0
273.11273	16.5
287.05536	8.1
287.14624	2.0
291.12241	18.1
298.11597	2.5
303.04712	1.8
377.12152	2.0
448.18198	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	448.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.9
55.01867	8.9
55.05512	17.9
57.03409	9.0
61.02919	8.4
62.03845	3.7
62.29530	3.0
67.05499	12.7
69.03420	30.3
69.07064	16.0
69.34551	10.7
69.34949	5.1
71.04976	7.3
73.02915	11.3
79.05482	21.7
81.03420	39.6
81.07059	25.6
83.04964	7.8
83.76388	3.0
85.02898	91.9
87.00825	35.9
90.55930	3.2
91.05459	21.5
93.07032	24.0
95.04942	8.9
95.08589	13.6
97.02879	44.5
97.06512	14.8
98.22685	6.3
99.04463	17.8
99.08060	3.5
100.11709	3.9
105.01848	24.5
105.07022	85.2
107.08596	37.1
109.02870	37.3
109.06493	4.8
109.10148	18.8
110.10494	4.6
113.71958	4.0
113.88139	3.0
117.01836	4.8
117.07011	7.5
119.08563	65.7
120.08958	3.7
121.06478	3.3
121.10111	12.2
123.11702	5.5
125.06006	3.4
125.09672	4.1
127.03895	63.7
129.01877	4.1
131.08527	6.9
133.06418	3.3
133.10114	10.5
135.11617	8.1
145.04930	30.9
145.10106	24.1
147.11668	100.0
149.09567	6.6
149.13237	8.7
153.01836	9.0
157.10162	4.1
159.02852	24.6
159.11668	7.0
163.11206	12.0
165.12648	4.6
173.09621	10.9
175.11183	7.3
181.12236	5.6
187.11208	10.2
191.10660	4.1
201.12698	3.7
215.14185	5.5
231.05006	6.9
233.11722	11.6
233.15472	5.3
234.15741	6.0
251.12856	7.6
251.16454	4.1
287.05359	24.9
287.19907	5.1
412.29169	11.3
430.30136	17.1
448.30807	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	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
57.03435	2.5
67.05501	6.8
69.03411	4.7
69.07050	9.2
70.58385	3.4
78.74583	2.2
79.05493	12.4
81.07037	8.6
83.04997	3.1
85.02884	5.9
91.05469	8.5
93.07050	14.9
95.04980	4.8
95.08590	6.8
97.02889	5.8
97.06520	9.7
98.23015	5.9
99.04443	4.6
105.07023	17.7
107.04926	10.2
107.08577	12.8
109.06477	4.3
109.10073	3.0
116.96792	2.2
117.06985	3.9
119.08582	6.6
121.06477	13.4
121.10103	5.6
125.05980	9.4
125.09582	2.6
131.08536	5.7
133.06512	5.1
133.10106	3.8
135.11661	5.7
137.05951	4.3
139.07483	3.1
143.07010	9.3
143.08485	2.2
145.06392	3.1
145.10101	31.6
146.10539	2.3
147.08041	4.8
147.11644	6.9
153.01787	12.8
159.11655	6.7
161.13129	2.8
161.57310	2.1
163.11169	100.0
164.11543	3.5
173.09618	31.0
187.11156	16.8
189.12805	4.4
191.10631	17.8
205.12221	11.2
215.10710	11.5
218.06459	2.1
227.12776	3.4
233.11690	48.8
251.12761	11.9
269.13812	8.2
287.05676	2.9
288.30780	2.1
406.48340	2.4
412.28925	2.6
430.30045	2.5
431.31705	2.4
448.31213	3.2
449.32391	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	448.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01867	0.6
55.05514	1.3
57.03149	0.7
57.03431	11.5
59.05022	1.0
59.41044	0.6
61.02923	2.1
69.03421	2.7
69.40917	0.6
70.82044	0.5
71.01347	1.0
71.04989	70.9
72.05322	1.0
73.02920	2.8
74.36846	0.5
75.04486	3.6
81.03426	1.1
83.04978	8.0
85.02898	100.0
86.03241	1.3
87.04463	1.9
94.88543	0.5
97.02888	4.8
98.23311	0.6
99.04451	1.4
101.06013	0.9
103.03927	0.9
105.07022	2.4
106.58862	0.6
109.02881	1.5
111.04446	4.1
127.03914	6.2
129.05470	40.3
130.05789	0.5
145.04935	5.9
146.08113	1.1
147.06508	23.7
163.06006	2.8
164.09189	5.8
236.38661	0.5
237.07649	0.6
255.08540	2.0
273.09436	1.3
282.83951	0.5
285.13101	1.1
287.05374	1.9
309.11530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09357	0.4
53.03938	1.2
55.05499	1.7
57.03431	10.2
59.04995	0.7
61.02925	1.5
69.03429	2.8
69.83701	1.5
71.04986	72.1
72.05314	0.8
72.99894	0.4
73.02905	2.4
75.04472	5.2
81.03398	1.1
83.04975	6.9
85.02895	100.0
86.03227	0.9
87.04447	2.5
91.03926	0.4
93.07033	0.4
94.70056	0.6
97.02882	4.4
99.04420	1.4
101.05980	0.9
103.03938	0.9
105.07024	2.0
109.02869	1.4
110.06001	0.4
111.04432	4.9
127.03898	5.9
129.05464	41.3
130.05780	0.7
145.04944	5.8
146.08092	1.3
147.06508	24.9
153.01750	0.8
163.06033	3.0
164.09174	5.8
165.07481	0.8
179.06837	0.5
215.10579	0.6
217.06927	0.4
234.88831	0.4
237.07530	0.7
255.08406	1.7
259.90234	0.5
269.36804	0.5
273.09500	0.8
285.13120	0.5
287.05252	1.2
309.11542	1.2
451.65775	0.5
451.72015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0713
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
50.56756	0.2
52.39738	0.2
55.01867	0.4
55.05489	0.8
55.56990	0.2
57.03441	2.0
68.99772	0.2
71.01334	0.3
71.04985	15.5
72.05328	0.2
75.04457	0.5
79.01852	0.5
81.03386	0.3
83.04972	3.7
85.02895	18.1
86.03220	0.3
87.04445	0.7
91.05439	0.3
98.23437	0.7
98.79346	0.2
105.63021	0.2
109.02888	0.4
111.04412	0.9
117.03307	0.2
117.25646	0.2
121.02843	0.4
129.04553	0.4
129.05464	4.4
137.02359	1.1
145.02878	0.3
147.04393	0.5
153.01825	2.0
154.66684	0.2
157.02831	0.2
161.06020	0.2
163.03915	0.4
165.01753	0.3
171.71410	0.2
173.02319	1.1
175.03868	0.5
191.03484	0.5
201.01813	3.4
203.03378	1.0
213.01849	0.6
217.01398	0.3
217.04929	0.5
219.02937	1.0
229.01321	3.9
229.04875	0.3
231.02812	2.0
234.29816	0.2
241.01297	1.0
247.02344	4.1
248.02686	0.2
252.31297	0.2
257.00772	12.5
258.01096	0.6
259.02371	1.8
271.06332	0.2
272.06744	0.6
275.01816	11.2
276.02188	0.5
285.00253	10.0
286.00711	0.7
287.05551	0.6
299.05505	4.3
300.06262	2.1
303.01309	100.0
304.01645	4.2
311.05447	0.8
313.07120	1.0
325.07059	0.4
329.06528	5.8
339.08496	0.9
341.06305	0.4
353.06732	1.1
359.07578	0.6
367.07925	0.3
383.07501	0.8
395.07599	0.8
413.08661	1.7
418.69504	0.2
431.09668	2.4
449.10785	3.9
449.16800	0.4
450.11124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03920	0.2
66.02837	0.2
68.99793	0.4
69.03412	0.3
71.26981	0.2
79.01837	0.2
81.03426	0.4
85.02898	0.5
94.10277	0.2
97.02844	0.2
98.97572	0.3
108.52363	0.2
109.02856	0.6
115.05412	0.2
121.02872	0.5
123.04456	0.3
125.02307	0.2
127.03943	0.3
129.06970	0.3
137.02333	2.5
137.06023	0.4
141.06985	0.2
143.03423	0.3
147.04506	0.2
149.02345	0.6
153.01804	3.5
153.02911	0.4
157.06441	0.7
161.05908	0.4
165.01776	0.2
167.04889	0.3
167.06969	0.3
171.04361	0.3
175.03920	0.3
175.07570	0.3
185.05936	0.7
189.05394	0.2
193.04918	0.3
199.03967	0.2
200.89801	0.2
203.03407	0.3
205.03894	0.2
213.05420	2.0
231.06526	0.8
235.05916	0.5
238.88675	0.2
241.04980	1.3
242.05577	0.2
243.11349	0.2
245.10294	0.3
245.34238	0.2
269.04315	0.4
269.10593	0.8
287.05450	100.0
288.05798	4.7
444.54718	0.3
449.11008	1.3
449.16165	27.0
450.16705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
66.45379	0.2
68.99774	0.3
71.23467	0.2
81.03399	0.4
84.04473	0.2
85.02901	0.3
97.02880	0.2
106.11362	0.2
109.02856	0.4
111.00816	0.2
117.07001	0.2
121.02861	0.3
121.65890	0.2
123.04369	0.2
125.02286	0.2
127.03848	0.3
137.02318	2.3
138.21751	0.2
143.03360	0.2
143.04883	0.3
147.04422	0.2
149.02342	0.4
153.00636	0.3
153.01813	4.7
153.02896	0.2
154.02164	1.7
157.06487	0.4
161.05872	0.3
165.01797	0.2
171.02917	0.4
171.04335	0.3
172.03262	0.2
175.03938	0.2
182.71613	0.2
185.05951	0.7
189.05527	0.5
193.05035	0.2
197.05980	0.2
199.03819	0.2
203.06935	0.3
213.05409	2.0
216.04131	0.3
231.06479	0.8
239.64967	0.2
241.04836	1.2
242.05707	0.2
252.13033	0.2
259.05792	0.2
269.04391	0.3
287.05453	100.0
288.05783	4.9
297.06287	0.2
298.06387	0.4
315.07156	0.4
316.07446	0.4
449.10913	1.0
449.16196	15.0
450.16504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03918	0.1
68.99776	0.4
69.03417	0.2
69.94569	0.1
71.23602	0.2
81.03398	0.2
85.02911	0.1
115.05407	0.2
121.02865	0.4
123.04403	0.1
124.66582	0.1
133.06432	0.2
137.02324	2.4
137.03372	0.3
139.05417	0.2
141.06973	0.2
143.04897	0.3
147.04369	0.3
149.02319	0.5
149.05827	0.2
150.89738	0.1
153.01764	1.0
154.02188	0.2
157.06418	0.3
161.05969	0.4
165.01720	0.3
167.07033	0.3
171.04425	0.2
175.03928	0.3
178.71205	0.1
185.05936	0.8
189.05423	0.4
199.03899	0.2
203.06918	0.3
213.05423	2.1
214.05865	0.2
216.04219	0.4
231.06474	0.6
241.04880	1.1
242.05644	0.2
259.06091	0.2
269.04407	0.5
287.05450	100.0
288.05743	4.7
381.55023	0.1
449.10361	0.4
449.16119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Homoorientin
Peak:m/z	Relative Intensity
51.02382	0.7
53.03926	0.9
53.48682	0.4
54.54326	0.5
55.01866	1.6
57.03416	0.8
57.63550	0.4
62.66506	0.5
67.05460	0.5
68.99796	1.3
69.03405	1.1
69.10664	0.8
69.11066	2.4
73.02901	0.5
79.01840	7.3
79.05491	0.7
81.03395	2.1
81.07050	0.6
85.02888	2.2
87.12019	0.5
91.19060	0.5
95.04953	1.1
97.02860	2.0
98.22609	0.8
103.03974	0.6
105.84653	0.5
107.01287	1.6
109.02856	2.6
121.02854	3.0
121.06529	0.6
123.00814	1.0
125.02342	3.0
127.03916	1.4
135.04396	3.5
137.02327	8.3
137.03343	0.7
137.05896	0.8
138.06206	0.5
141.01831	2.5
143.03375	7.9
145.02864	0.5
147.04399	1.1
149.02324	2.7
153.01805	94.7
153.02892	5.8
154.02155	2.1
159.04385	0.7
161.02316	3.1
161.05934	0.7
163.00272	0.6
163.03847	4.1
165.01814	15.9
165.03166	1.0
166.02226	0.5
167.03317	3.9
167.06998	1.2
172.45912	0.5
177.01784	2.9
177.05492	0.9
179.03387	1.3
181.04930	1.1
183.02859	7.4
187.03868	1.4
191.03339	1.7
195.02809	2.2
203.03336	1.2
205.04918	1.2
207.03004	0.5
215.03406	1.0
221.04359	0.5
233.04366	0.9
237.03865	0.8
243.02771	1.2
245.04298	1.3
255.06490	1.8
258.04858	0.5
261.03897	1.1
271.05991	1.3
272.06650	0.9
273.53989	0.5
283.05960	8.8
284.06296	0.9
285.03748	0.5
286.04700	3.2
287.05441	13.3
295.06012	2.2
297.07544	8.5
299.05453	100.0
300.06036	14.2
301.06793	1.2
303.05054	0.6
305.08105	0.5
309.07486	1.0
310.04541	0.7
311.05432	10.5
311.09061	2.4
312.05911	0.8
313.03571	0.7
313.06934	3.3
314.07318	0.6
321.07510	2.4
323.05383	1.7
324.06186	2.2
325.03424	1.6
325.06970	21.7
326.07352	1.0
327.04684	1.0
329.06494	69.2
330.06918	3.9
337.07126	3.6
339.08588	13.2
340.09015	0.9
349.07016	3.7
353.06485	34.1
354.06744	2.5
365.06543	10.2
367.08237	2.7
377.06534	9.1
378.06686	0.7
383.07574	17.1
384.07794	1.9
395.07541	17.0
396.07834	1.1
413.08591	20.2
414.09048	1.5
431.09711	9.1
432.09964	0.6
449.10394	1.6
449.18933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01856	0.2
55.05491	0.9
57.03438	2.2
59.01801	0.2
59.04992	0.2
69.35883	0.6
71.04989	14.6
72.05330	0.3
73.02908	0.3
75.04475	0.7
79.01859	0.3
79.05472	0.2
81.03418	0.2
83.04974	4.0
85.02899	19.0
86.03230	0.2
87.04463	0.5
91.05459	0.4
109.02888	0.2
111.04429	1.0
117.03374	0.2
119.04943	0.3
121.02861	0.4
125.02335	0.2
129.05470	4.0
135.04401	0.4
137.02342	1.1
137.05959	0.3
145.02821	0.5
147.04396	0.6
147.06494	0.3
153.01810	1.8
157.02850	0.3
161.02321	0.4
163.03903	0.4
165.01846	0.3
167.56310	0.2
173.02347	1.4
175.03896	0.5
177.38971	0.2
185.02417	0.3
191.03369	0.8
200.99899	0.3
201.01791	4.1
202.02090	0.3
203.03432	0.7
213.01729	0.9
217.01378	0.3
217.04930	0.3
219.02812	0.7
229.01329	4.4
229.04868	0.2
231.02892	2.7
241.01334	1.1
247.02364	4.0
257.00787	13.7
258.01089	0.9
259.02332	1.9
259.04797	0.2
259.06049	0.2
261.03949	0.3
271.05945	0.5
272.06705	0.6
275.01834	12.0
276.02167	0.7
285.00278	11.2
286.00739	0.8
287.05566	0.6
299.02118	0.3
299.05472	5.1
300.06271	2.4
302.00537	0.3
303.01321	100.0
304.01657	5.9
311.05524	1.1
311.08673	0.2
313.06961	0.9
324.06058	0.3
325.07080	0.4
327.05118	0.3
329.06534	6.5
330.06970	0.5
339.05014	0.3
339.08438	1.2
341.06570	0.3
353.06577	1.6
354.06723	0.2
359.07663	0.4
367.08194	0.5
383.07632	1.1
395.07623	0.7
413.08640	2.1
431.09741	3.3
449.10843	3.9
449.16891	0.4
450.11108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03874	1.5
66.90705	1.5
70.93478	2.2
79.43983	1.4
94.93018	2.0
96.79539	1.4
120.03313	1.9
159.16953	1.7
166.08469	1.4
175.48396	1.4
182.95628	1.5
189.05452	2.5
200.96660	2.2
207.06497	2.1
216.98738	2.3
224.96617	4.5
228.98746	3.3
242.97697	2.6
254.97736	2.8
287.05502	21.6
287.08813	2.8
288.05685	1.9
329.10190	4.2
340.96930	1.8
449.14270	100.0
450.14758	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	449.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.3
59.72960	0.3
68.99777	0.4
69.03413	0.9
73.26001	0.4
81.03419	0.6
85.02911	2.6
91.05466	3.1
97.02898	1.6
105.06985	0.5
107.01263	0.4
109.02828	0.7
127.03897	0.5
137.02295	1.9
137.05940	0.4
143.03391	0.8
145.04953	0.7
153.00642	0.5
153.01825	8.0
153.02951	0.3
154.02197	0.9
161.06029	0.4
167.03358	1.1
171.02904	0.5
189.09138	0.4
191.06960	0.3
203.03358	0.6
207.06625	0.4
207.10178	0.5
212.08807	0.4
213.05511	0.9
235.05853	0.4
287.05472	43.5
288.05875	2.2
317.12241	0.7
368.17377	0.4
449.16235	100.0
450.10175	1.0
450.16699	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	449.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88051	0.5
55.05474	0.6
59.04955	1.3
61.55593	0.5
67.05459	0.7
69.03392	0.8
69.57275	2.0
79.05468	0.7
79.69661	0.4
81.03357	0.8
81.06981	1.2
85.02866	0.8
92.16858	0.5
93.06989	1.1
104.10689	0.9
105.06966	0.8
107.08562	1.2
109.02824	0.7
109.10099	0.7
115.03899	0.5
119.08566	0.5
121.10072	1.3
127.03833	0.7
129.05399	2.3
130.05771	0.9
136.07486	0.9
137.02293	0.7
143.03296	1.0
147.06519	0.5
147.90259	0.5
153.01839	7.1
153.02977	0.6
159.11661	0.6
177.08830	0.6
184.07317	1.1
185.04140	1.4
213.05553	0.5
241.04820	0.7
244.09480	0.6
269.11444	0.7
287.05536	33.2
287.12488	83.8
288.05795	2.0
288.12796	2.9
413.30310	0.7
431.31412	0.7
449.17819	100.0
450.18118	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	449.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01869	3.4
61.85376	2.3
69.03412	6.4
76.96771	2.2
77.03941	2.6
79.01852	4.7
79.05486	8.8
81.03404	5.2
81.07050	2.7
85.02908	13.8
87.00819	4.2
91.05485	4.6
93.07017	2.1
95.04967	3.6
97.02868	5.0
103.05449	5.4
105.01830	3.0
105.07035	6.3
107.04951	56.4
108.05231	3.2
109.02870	3.1
115.05437	3.5
121.06432	2.4
123.04425	3.2
127.03905	8.8
130.04965	2.6
131.04848	2.5
135.08043	15.9
137.05969	5.3
143.03400	7.0
145.04849	2.6
147.07672	2.2
151.03911	4.3
151.05067	2.5
153.01814	62.2
153.02902	3.0
163.07538	38.6
166.57600	2.5
167.07033	100.0
170.07895	2.5
180.07867	4.4
193.08502	3.9
195.10135	29.4
211.07550	2.1
211.09682	5.0
213.11195	79.5
267.80508	2.5
282.65109	2.2
287.05527	16.5
287.14844	16.2
299.08871	2.4
311.09247	2.2
449.08826	4.7
449.16702	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	449.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01845	0.3
55.05500	0.4
56.61346	0.3
57.03430	0.4
59.98945	0.3
64.64762	0.3
67.05468	0.8
69.03403	0.7
69.07061	0.5
69.87141	1.1
74.25197	0.3
78.04707	0.6
79.05487	2.2
81.03391	0.7
81.07034	1.5
83.04999	0.3
85.02914	0.7
85.06487	0.4
91.05477	3.0
93.07018	1.5
95.04971	0.7
95.08590	1.0
97.02879	0.7
97.06525	0.6
98.22693	0.4
99.04420	0.3
99.08085	0.4
103.05494	1.0
104.06236	0.3
105.07035	8.1
107.04977	0.8
107.08587	1.6
108.05694	0.4
109.02856	0.4
109.06467	0.7
109.10162	0.8
115.05414	1.7
117.07027	2.8
119.04919	1.3
119.08561	1.2
121.06516	2.1
121.10088	0.8
123.04408	1.1
123.08028	2.2
124.24970	0.3
125.09631	0.5
125.19254	0.3
127.03941	0.4
128.06229	0.8
129.07039	0.6
131.04935	0.5
131.08548	0.6
132.05699	0.5
133.06482	8.1
133.10094	0.5
135.08029	1.0
136.07573	0.7
137.05948	0.8
139.11191	0.4
143.06001	0.6
143.08527	1.0
143.10597	0.4
145.06468	0.8
145.10101	0.3
147.11665	0.5
149.09610	0.8
151.03990	0.5
151.07529	8.4
152.07907	0.4
153.01857	2.5
160.05208	0.7
161.05965	8.5
162.06776	2.0
163.07497	0.8
167.07019	13.6
171.08028	1.3
175.07503	2.2
177.09093	100.0
178.06242	0.7
178.09424	3.5
179.07007	0.4
189.09132	0.4
193.08585	42.8
194.08911	1.7
195.10141	5.1
203.10605	2.1
213.05411	0.4
221.11710	14.3
222.12140	0.4
235.09584	0.8
257.00812	0.4
267.12250	8.2
271.20615	0.5
281.45258	0.4
285.00388	0.6
287.05475	10.2
287.12326	0.4
288.05777	0.5
317.02734	1.2
329.13800	0.4
375.17682	0.8
413.30313	0.7
431.31400	0.6
449.18192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.8
59.04997	6.8
62.02831	2.2
67.05489	4.8
69.03403	2.7
69.07061	3.7
70.71622	3.4
73.02914	3.6
73.10486	2.1
76.59113	2.3
79.01843	6.1
79.05489	6.7
81.03407	3.8
81.07052	6.3
82.50303	2.2
85.02901	6.4
85.06556	2.5
91.05470	4.6
93.07043	15.4
95.08598	2.4
97.02887	6.6
101.06052	2.6
103.05437	1.9
107.08597	4.8
109.02829	2.4
113.05990	2.8
121.10130	10.7
125.02309	5.3
129.05499	5.8
130.05803	3.5
137.05988	4.8
139.11169	5.2
143.03366	5.7
145.15788	2.3
149.06042	2.2
149.09633	3.2
153.01816	100.0
153.02904	5.7
154.02187	4.4
167.07086	3.2
167.10600	1.9
191.07053	2.5
203.58992	2.1
243.02789	3.8
246.01410	2.1
257.00800	10.7
285.00259	3.8
287.05460	48.8
287.12332	11.1
299.01895	2.5
301.97327	3.6
302.00452	22.3
303.01178	4.3
308.49991	2.6
317.02869	90.1
318.03220	7.2
422.73016	2.1
431.30536	3.1
449.17783	37.8
449.30759	4.0
450.18124	3.4
452.46094	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	449.3262
Annotation	2-Deoxyecdysone
Peak:m/z	Relative Intensity
53.03952	1.4
54.14794	0.8
55.01871	1.8
55.05502	8.1
57.07072	2.2
62.49848	0.8
63.31065	0.8
65.03934	1.2
67.05496	26.1
68.05853	1.0
69.03429	3.5
69.07062	24.0
69.44844	3.6
70.36652	0.9
71.04998	2.5
75.91863	0.8
76.94448	0.7
78.13199	0.7
79.05479	13.1
81.03440	1.8
81.06567	2.1
81.07046	35.6
83.04975	2.6
83.08615	4.5
85.02905	2.6
85.06539	2.6
87.00841	1.6
91.05469	15.2
91.06048	0.9
93.07036	30.7
95.04975	4.6
95.08597	41.9
97.02875	2.1
97.06525	6.6
97.10158	2.4
98.22700	1.0
99.04469	1.3
99.08068	2.7
105.01865	1.0
105.07020	24.6
107.04975	2.4
107.08582	33.7
109.02875	2.2
109.06520	4.2
109.10145	84.5
110.10477	2.1
111.08076	9.9
113.09673	1.3
117.06987	4.1
119.04975	0.9
119.08569	19.0
121.06499	6.5
121.10136	19.5
123.08063	11.8
123.11700	4.1
125.09620	5.8
127.03952	2.1
127.11179	7.2
128.06218	2.3
129.07001	4.6
131.08542	9.4
133.06491	2.5
133.10114	11.9
135.08066	4.7
135.11697	9.9
136.07600	2.7
137.09627	3.0
137.13257	1.7
139.11201	1.3
142.07838	2.2
143.08553	12.0
145.04936	0.9
145.06480	1.0
145.10109	14.8
147.07991	5.7
147.11668	10.3
149.09593	4.3
149.13245	7.3
149.14105	0.7
151.11182	2.4
153.01816	5.4
155.08537	5.4
156.09349	1.1
157.10100	9.7
159.08076	3.4
159.11682	9.1
161.09593	7.4
161.13240	17.8
163.11121	4.4
163.14816	3.0
164.07114	1.8
165.12753	1.7
167.08604	1.0
167.10680	3.6
169.10143	2.5
171.08086	2.7
171.11667	8.9
173.09619	6.4
173.13205	5.9
175.11168	13.1
175.12611	1.1
175.14824	2.3
177.12784	2.7
177.16415	4.8
177.17758	0.8
179.14285	18.4
181.10191	2.5
183.11755	2.9
185.09630	1.4
185.11717	4.8
185.13290	4.5
187.11275	3.0
187.14864	3.5
189.12714	9.8
189.16335	2.1
191.10674	2.2
193.12270	2.9
195.11768	1.3
197.13266	3.1
199.11215	2.3
199.14790	11.1
201.12772	2.3
201.16457	2.7
203.14317	1.6
207.13857	2.1
207.17383	1.2
209.13286	2.2
211.14908	2.4
213.12839	2.5
213.16389	2.2
215.14299	10.5
215.17941	2.0
217.13826	0.7
217.15846	20.9
217.19127	1.1
218.16251	1.8
223.14880	1.3
225.16330	1.6
227.14354	2.6
229.15910	1.6
231.13846	2.0
233.13007	1.7
233.15314	13.1
233.19031	1.5
235.16943	6.0
237.16483	1.0
239.17953	1.2
241.15781	2.1
241.19571	1.6
245.15393	3.0
247.17064	1.4
249.16396	1.2
251.18013	1.5
255.21126	0.8
259.16855	1.0
263.16324	10.5
265.15851	1.4
267.17416	1.2
269.19009	2.7
281.18918	1.2
283.20627	1.3
284.17700	0.9
285.18518	4.4
287.05502	8.1
287.20035	6.1
297.21719	1.3
303.19913	0.9
311.23724	1.0
313.21646	2.7
321.22144	4.1
327.23349	2.8
329.24857	1.1
331.22546	1.0
339.23096	8.4
345.24243	4.9
357.24228	13.1
359.27414	1.3
377.28238	6.9
385.31036	2.6
395.29428	25.4
395.34674	1.3
396.29666	2.5
413.30450	100.0
414.30835	8.8
431.31482	31.5
432.32043	2.7
449.16092	1.2
449.32648	29.0
450.33188	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3259
Annotation	2-Deoxyecdysone
Peak:m/z	Relative Intensity
51.01175	0.9
53.03933	1.5
55.01862	2.5
55.05501	9.5
57.07067	2.4
65.03918	1.4
67.05497	32.8
67.05859	1.8
69.03414	3.2
69.06712	2.0
69.07062	30.3
71.04978	3.1
71.42840	1.2
75.17992	1.2
78.80974	0.9
79.05488	15.3
81.03406	1.8
81.07047	42.4
82.07400	1.2
83.04961	3.0
83.08608	4.5
85.02898	2.3
85.06507	2.2
91.05470	17.2
93.07036	33.8
94.07370	1.1
95.04953	6.5
95.08596	49.1
95.09209	2.3
96.08923	1.2
97.02853	1.5
97.06536	8.2
97.10149	3.1
99.08069	2.9
100.12923	1.2
103.05433	2.3
105.04484	1.4
105.07015	31.6
106.07320	1.0
107.04925	3.3
107.08583	31.9
108.08881	1.6
109.02882	1.8
109.06531	6.0
109.10142	97.1
110.10490	2.0
111.08083	7.3
115.05443	2.1
116.65300	1.1
117.07014	6.3
119.08568	22.6
121.06500	8.5
121.10128	27.9
123.08060	13.5
123.11692	3.9
123.29623	1.0
125.09609	4.0
125.18218	1.0
127.03864	1.4
127.11200	6.8
128.06201	3.1
129.06995	7.4
130.07829	1.0
131.07635	1.6
131.08560	14.8
133.06477	2.7
133.10112	17.4
135.08055	4.0
135.11674	13.3
136.07494	1.9
137.09610	3.5
137.13197	2.8
139.07510	2.4
141.06940	1.8
142.07759	3.3
143.03439	1.2
143.08556	15.4
144.09367	1.0
145.06436	1.5
145.10104	19.6
146.10451	1.3
147.08011	5.4
147.11679	17.9
149.09566	2.5
149.13237	11.0
151.11160	2.7
153.01836	10.4
153.02942	1.6
155.08519	8.6
156.70000	1.1
157.10106	11.3
159.08035	3.9
159.11670	10.6
161.09595	11.2
161.13239	25.2
163.11188	4.6
163.14789	4.5
164.07024	1.9
165.12784	1.8
169.10085	3.8
171.08044	4.4
171.11664	12.2
173.09581	7.9
173.13242	7.4
175.11174	16.5
175.14810	3.5
177.09091	1.2
177.12744	2.6
177.16386	7.6
179.14297	21.4
181.10063	2.9
183.11726	4.6
185.09557	1.8
185.13232	5.3
187.11133	2.9
187.14786	3.6
189.12733	9.7
189.16380	4.1
191.14304	1.6
192.88362	1.0
193.12201	3.7
195.11664	2.6
196.12328	1.1
197.13254	4.1
199.11163	2.1
199.14766	16.9
201.12740	3.0
201.16362	3.8
205.12248	1.4
207.11720	1.6
207.13773	2.4
207.17448	2.0
209.13339	2.3
211.11188	1.1
211.14720	3.2
213.12643	1.7
213.16301	2.1
215.14302	12.1
215.17932	3.5
217.15857	28.5
217.19342	1.8
218.16156	1.5
221.13225	1.6
225.12701	1.6
225.16287	1.9
227.14264	4.5
227.17830	1.5
229.15785	2.2
231.13747	2.3
233.13145	0.8
233.15344	14.9
233.18872	1.8
235.16856	7.4
237.16391	1.9
239.14287	1.6
239.17891	1.7
243.17387	1.6
245.15355	3.6
249.16330	1.3
251.14326	1.1
251.17809	2.0
253.15955	1.5
254.16583	1.1
255.17412	1.5
255.21043	1.8
257.15259	1.2
258.41959	1.1
259.16873	1.7
262.15393	1.0
263.16254	12.0
264.17209	1.3
267.17532	2.2
269.18973	4.4
271.16910	1.4
281.19064	2.4
285.18494	2.8
286.80453	1.1
287.05481	11.4
287.20117	8.1
293.22241	1.1
309.22037	2.7
311.19742	1.1
313.21524	1.7
321.22046	3.8
327.23071	3.0
337.25217	1.8
339.23172	10.2
345.24268	7.7
357.24191	16.3
359.27255	1.4
367.29822	1.4
377.28384	8.4
385.30954	3.4
395.29401	30.2
396.29660	3.4
413.30441	100.0
414.30807	9.1
430.15652	1.1
431.31583	28.2
432.31650	2.7
449.21490	1.5
449.32730	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	449.326
Annotation	2-Deoxyecdysone
Peak:m/z	Relative Intensity
50.94479	1.0
53.03938	2.5
55.01865	3.0
55.05503	9.1
57.03435	1.2
57.07072	1.8
59.04996	1.7
61.44464	1.0
65.03926	1.7
67.05499	24.4
69.03413	3.8
69.06703	1.7
69.07063	24.0
69.45554	4.7
70.15798	0.8
71.04986	2.8
79.05489	11.4
81.03412	2.5
81.07048	37.2
82.81673	0.9
83.04951	2.4
83.08624	5.7
85.02901	3.9
85.06535	3.0
87.00823	1.5
88.96510	0.9
91.05471	16.4
93.07038	45.8
95.04980	5.4
95.08594	44.5
97.02892	3.5
97.06537	6.6
97.10148	1.0
99.04451	1.5
99.08086	2.1
105.01866	1.1
105.04514	1.3
105.07022	23.9
105.07731	1.3
107.04940	2.5
107.08587	37.6
108.08883	1.5
109.02880	3.7
109.06532	5.5
109.10148	83.4
110.10497	1.4
111.08072	20.3
111.11755	1.2
113.09634	1.4
115.05432	1.3
117.07009	3.4
119.05009	0.9
119.08572	19.4
121.06525	5.6
121.10133	27.6
122.09661	1.4
123.08059	12.4
123.11724	3.9
125.09624	4.6
127.03907	3.0
127.11182	6.4
128.06195	1.9
129.06967	4.9
131.08568	11.5
133.06517	2.4
133.07645	1.1
133.10107	9.9
135.08051	4.2
135.11659	10.4
136.07518	1.2
137.06004	1.3
137.09593	2.0
137.13263	1.8
139.07574	1.2
139.11180	5.0
141.06963	1.4
142.07730	2.6
143.08548	13.1
145.10126	17.4
146.75711	1.0
147.08049	7.6
147.11676	11.0
149.09642	5.0
149.13237	8.7
151.11142	2.7
153.01799	7.3
155.08565	3.9
156.09357	1.5
157.10138	11.0
159.08070	4.1
159.11679	10.3
161.09624	7.7
161.13263	15.2
163.11212	3.3
163.14828	4.0
165.12737	1.8
167.10663	12.7
169.10123	3.0
171.08072	2.6
171.11697	10.1
173.09595	5.5
173.13234	6.5
175.11163	11.9
175.14792	2.2
177.12712	2.2
177.16422	5.9
179.14296	16.0
181.10062	2.1
183.11670	2.1
185.09918	1.9
185.11732	18.0
185.13284	3.0
187.11162	2.8
187.14822	3.8
189.08958	1.2
189.12753	9.1
189.16388	3.6
191.10660	1.9
193.10274	1.0
193.12250	4.4
195.11745	2.9
197.13258	3.7
199.11116	1.2
199.14803	12.7
201.12677	2.7
201.16429	2.0
203.14418	0.9
205.15732	1.2
207.11786	1.4
207.13800	1.9
207.17438	1.6
209.13264	1.8
211.14804	3.2
213.12715	1.9
213.16368	1.7
215.14302	10.7
215.17961	3.2
217.12341	1.4
217.15855	20.9
217.19235	1.0
222.95792	1.1
223.14928	1.2
227.14290	2.7
229.15869	2.1
231.13899	1.5
233.13249	1.8
233.15317	10.7
235.16937	5.6
239.14355	1.5
241.15820	1.8
245.15465	3.1
247.17017	1.2
249.16409	1.7
251.17952	2.4
253.19473	1.1
263.16263	8.8
267.17511	2.1
269.18936	3.7
283.17007	1.1
285.18414	2.7
287.05542	8.6
287.20023	4.7
313.21613	2.2
321.22043	3.7
327.23163	2.6
339.23184	8.4
345.24295	5.4
357.24173	13.7
377.28232	6.7
385.30948	3.0
395.24579	1.9
395.29434	27.5
396.29651	2.0
413.30472	100.0
414.30820	8.3
431.31540	30.2
432.31683	2.8
449.21436	1.6
449.32568	18.2
450.33118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3261
Annotation	2-Deoxyecdysone
Peak:m/z	Relative Intensity
50.56987	2.1
51.68438	1.7
53.03938	5.0
53.18065	1.8
55.01875	3.8
55.05511	17.1
57.03431	4.8
57.07085	3.0
59.05002	3.3
67.05157	3.6
67.05502	47.5
69.03429	11.1
69.07066	40.5
71.05000	3.6
79.05482	25.1
81.03415	11.3
81.06573	3.5
81.07053	61.5
83.04988	7.1
83.08619	7.3
85.02898	3.8
85.06561	7.0
87.04449	2.2
91.05476	20.8
93.07040	56.0
93.07603	3.7
95.04959	12.0
95.08604	63.9
97.02908	3.4
97.06534	15.6
97.10174	6.9
98.22639	4.5
99.04436	2.3
99.08106	5.1
105.07024	35.1
107.04951	4.5
107.08056	1.2
107.08591	49.9
109.02901	8.7
109.06516	8.7
109.10149	100.0
110.10452	1.8
111.04467	2.7
111.08087	8.4
111.11653	2.0
117.06997	8.6
119.08576	32.2
121.06494	9.8
121.10142	37.1
123.08038	14.0
123.11720	10.1
123.12502	2.2
125.09624	7.6
127.03944	5.2
127.11169	9.5
128.06210	3.4
129.07024	8.0
131.08560	20.9
133.06487	4.4
133.10112	19.3
135.08112	5.8
135.11684	17.3
136.07582	5.2
137.05965	4.7
137.09613	4.5
137.13208	3.7
139.07518	1.9
139.11163	3.4
141.07018	3.3
142.07761	1.9
143.08553	15.2
145.10106	24.5
147.08031	6.6
147.11647	16.4
149.09671	3.2
149.13248	22.9
151.07516	1.9
151.11191	4.7
153.01785	12.6
153.02893	2.2
155.08542	6.7
157.06361	1.8
157.10126	15.5
159.08049	5.9
159.11679	17.8
161.09593	12.2
161.13246	25.2
163.07603	2.4
163.11186	5.9
163.14816	5.2
164.07037	4.4
165.07253	1.7
165.09082	2.3
165.12808	3.3
167.08539	11.0
169.10135	4.4
171.08047	3.0
171.11674	12.7
173.09592	8.9
173.13292	7.4
175.11186	15.9
175.14793	3.3
177.09109	2.1
177.12758	4.3
177.16396	6.1
179.14297	16.1
181.10088	2.6
183.11697	5.1
185.09618	2.6
185.13232	5.4
187.11205	5.5
187.14841	5.0
189.12796	9.4
189.16383	5.1
193.12271	3.9
195.11794	4.5
195.13698	3.8
197.13156	3.7
199.11249	2.6
199.14822	16.1
201.12701	4.7
201.16397	4.8
203.14241	2.7
205.12270	2.2
207.17390	2.8
209.13245	4.1
211.11162	2.3
211.14793	3.2
213.05692	2.4
213.12740	3.8
213.16466	3.1
215.14288	17.1
215.17926	3.0
217.15863	22.0
221.13283	2.4
225.12610	2.9
225.16446	2.1
227.14291	3.6
229.15793	2.3
233.15295	11.8
233.19006	2.0
235.16934	6.9
237.12515	2.0
245.15411	4.2
251.17891	2.3
253.19751	2.0
255.17403	2.5
263.16415	8.7
269.17410	20.0
285.18420	4.5
287.05478	49.6
287.19934	5.1
288.05780	4.3
289.17905	2.5
293.22662	2.9
315.23083	2.7
321.22055	3.4
327.23361	2.2
339.23163	10.1
345.24112	4.5
357.24133	17.2
377.28165	6.0
395.29437	23.4
413.30505	84.0
413.36066	4.1
414.30981	9.7
431.31766	24.5
432.31863	3.2
449.21274	8.9
449.33371	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	449.326
Annotation	2-Deoxyecdysone
Peak:m/z	Relative Intensity
55.05497	8.1
67.05505	30.4
69.07066	28.9
69.40241	14.5
71.04990	3.2
71.25008	3.0
79.05482	11.6
81.07050	32.8
81.12025	3.4
83.08598	4.4
91.05482	15.7
93.07022	26.6
95.04944	4.5
95.08602	33.7
95.67433	3.5
97.06490	9.4
98.21939	3.0
105.07034	22.5
107.08583	32.5
109.10144	81.1
111.08047	4.5
117.06947	4.6
119.08574	13.5
121.06464	4.2
121.10130	22.8
123.08074	9.2
127.11129	5.3
128.06358	3.3
129.06972	5.1
131.08533	13.5
133.10127	17.8
135.07977	7.0
135.11676	6.9
137.06010	4.9
143.08513	12.1
145.10092	15.0
147.07951	6.3
147.11708	8.3
149.13177	4.7
153.01770	4.2
155.08492	5.6
157.10106	12.0
159.08051	3.7
159.11694	10.4
161.09663	7.5
161.13234	15.5
163.14758	3.8
173.09615	8.1
175.11185	11.8
177.16359	5.7
179.14297	19.5
187.11162	4.0
189.12727	10.1
189.16394	3.8
197.13245	4.7
199.14787	12.9
215.14282	14.2
217.15842	28.5
233.15349	7.9
235.16879	7.5
245.15231	4.3
263.16418	12.2
287.05420	3.5
301.21283	3.4
313.21478	5.2
339.23196	10.2
345.23987	3.9
357.24124	16.9
377.28143	6.2
395.29285	29.6
413.30453	100.0
414.30508	9.2
431.31485	34.6
449.32275	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	449.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43644	1.4
55.01856	1.4
55.05502	8.2
57.07055	1.8
67.05501	29.2
69.03419	1.9
69.07066	27.0
69.28051	3.5
69.28451	4.6
71.04975	3.2
77.91175	1.1
79.05475	7.6
81.03403	3.3
81.07053	22.4
83.04986	1.7
83.08604	4.8
89.26558	1.4
91.05468	10.7
93.07044	14.7
95.04954	4.1
95.08601	22.7
97.06526	3.2
97.10144	2.4
105.07012	14.9
107.08581	12.8
109.06497	2.2
109.10147	93.4
110.10464	1.8
111.08070	3.3
117.07005	5.0
119.08557	9.4
121.06493	3.8
121.10129	7.2
123.08035	2.9
123.11714	10.6
125.05916	1.5
127.11190	19.1
128.06207	2.5
129.07007	3.8
131.08559	20.2
133.06522	1.6
133.10103	9.0
135.08026	1.8
135.11684	4.1
141.06998	1.6
142.07750	1.5
143.08542	11.1
145.10110	17.4
147.08022	2.9
147.11649	7.3
149.09579	1.9
149.13272	1.5
151.11076	1.6
153.01839	4.0
155.08557	3.9
157.10124	11.6
159.08018	8.8
159.10437	1.9
159.11668	11.6
161.09628	4.1
161.13184	3.5
167.08575	2.5
169.10121	4.9
171.08055	1.7
171.11702	5.2
173.09628	3.6
173.13255	5.2
175.11176	3.3
179.08609	2.2
181.10132	1.7
183.11671	5.3
185.13231	6.0
187.14810	6.1
193.10229	1.4
195.11717	3.5
197.13249	4.0
199.11139	2.9
199.14793	12.1
201.12720	4.0
207.11700	1.7
209.13248	5.3
211.11221	1.8
211.14851	4.3
212.11794	1.4
213.12750	4.0
213.16269	2.4
215.14299	1.4
221.13203	1.7
225.12733	2.3
225.16266	1.7
227.14326	3.1
231.13849	2.7
237.16623	1.8
239.17955	4.0
241.19508	1.4
243.25737	1.3
249.16249	1.4
251.18005	4.0
253.15848	4.0
255.17397	1.6
255.21040	6.7
259.17087	2.0
267.17413	14.7
269.18979	11.9
271.16931	22.1
272.17386	1.9
273.18497	2.4
285.18466	54.0
286.18805	2.5
287.05426	11.0
287.20041	21.6
288.06110	1.5
288.20569	1.7
289.17920	15.2
294.19696	2.0
297.18652	1.6
312.20923	2.2
313.21600	3.0
321.22174	2.8
327.23141	10.7
339.23132	10.9
353.24435	1.6
357.24203	2.9
377.28290	4.1
395.29428	100.0
396.29816	8.7
413.30508	40.6
414.30753	2.4
422.13953	1.4
431.31509	4.2
449.32422	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	450.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01854	0.6
55.20024	0.3
57.03422	0.5
61.02904	0.3
66.78893	0.3
67.15359	0.3
69.03416	1.9
69.81322	0.3
70.91957	0.4
71.04967	0.3
73.02896	0.6
78.04708	1.7
79.05483	0.5
81.03411	2.6
82.31998	0.2
85.02896	5.5
87.00830	2.1
97.02877	1.9
99.04461	1.0
105.01842	1.5
106.04141	1.0
108.04481	1.3
109.02880	2.4
117.01834	0.3
118.86834	0.3
122.03627	0.5
123.04425	4.5
124.05190	1.3
126.05512	0.7
127.03899	3.1
129.01796	0.4
134.03642	0.6
140.04697	0.3
145.04942	1.4
151.03922	1.0
152.04704	1.5
159.02872	1.2
167.07022	100.0
168.07343	2.7
172.53006	0.3
230.06599	0.6
231.04961	0.7
248.07590	1.0
288.05658	0.3
322.24344	0.3
451.08493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01859	1.6
57.03429	3.8
61.02931	5.5
65.03933	2.4
69.03424	12.9
71.04956	1.3
73.02908	2.2
81.03407	5.4
83.01360	0.7
85.02898	69.3
87.04449	1.3
89.70413	0.6
91.03957	3.3
91.05472	100.0
92.05785	1.7
97.02885	32.6
99.04438	2.5
103.03905	0.7
105.07018	2.2
107.04926	0.7
109.02885	5.5
111.04450	0.7
115.03884	3.3
115.05438	1.2
117.06968	1.1
121.10152	1.1
123.04425	2.7
124.07581	1.5
127.03904	16.2
128.04198	0.7
129.06998	1.1
133.04936	0.8
133.06506	2.0
137.02357	1.7
143.03389	1.2
143.08582	1.1
145.04947	27.4
145.06558	1.2
146.05222	0.6
147.04378	0.8
153.01823	9.5
154.02148	2.5
157.06520	1.5
161.04482	1.7
161.06015	1.8
163.06004	11.0
167.03491	0.8
167.06993	1.8
168.03754	0.7
171.08035	0.7
175.07564	1.0
177.09184	1.0
179.06990	0.8
185.05884	0.8
189.09160	1.6
203.03412	1.5
207.10222	2.2
209.08195	0.8
213.05597	0.6
217.08562	2.1
225.07466	0.6
235.06020	1.2
235.09709	1.6
242.05223	0.8
253.06985	1.2
253.10745	2.7
287.05466	25.7
288.05811	58.2
289.06021	3.1
325.11160	0.8
430.16980	0.7
450.10181	2.8
450.16669	5.0
451.11148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01865	2.5
57.03429	4.8
61.02913	6.1
65.03933	2.1
65.70657	0.7
69.03416	12.4
69.63610	1.7
70.06581	1.9
71.04978	1.3
71.69518	0.6
73.02905	2.0
73.95102	0.8
81.03415	6.0
85.02892	64.0
85.06551	0.6
85.51436	0.7
86.03265	0.7
86.34481	0.7
87.04423	1.6
91.03964	3.7
91.05467	100.0
92.05814	2.0
93.07010	0.9
97.02877	32.6
98.03221	0.8
98.22665	1.3
99.04449	2.7
101.02361	1.0
102.30731	0.7
103.03960	1.3
105.06999	1.9
109.02864	5.3
115.03907	2.7
117.07011	1.2
121.06567	1.0
123.04419	3.3
124.07542	1.2
127.03894	13.4
129.06967	1.6
131.08647	0.8
133.06462	1.5
137.02301	2.1
137.06033	1.3
143.08566	0.8
145.04938	25.9
153.01817	7.4
154.02129	2.2
154.04935	3.7
157.06479	0.9
161.04411	1.8
161.05940	1.3
163.05975	8.4
163.07324	1.2
167.07039	1.6
171.08005	2.4
175.03917	1.5
176.04657	0.9
179.06889	0.8
193.04915	1.4
203.03362	2.8
207.10149	0.9
217.08595	2.5
235.06021	3.0
235.09590	1.4
253.07080	2.6
253.10663	2.4
287.05438	15.1
288.05783	30.0
289.05914	1.4
418.16083	1.0
450.10172	2.4
450.16501	9.7
451.11749	1.0
451.17114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01901	1.5
55.05485	1.2
57.03425	5.5
61.02918	5.9
65.03928	2.8
65.10918	1.3
69.03426	10.9
69.78126	4.6
70.06606	2.5
71.04989	1.8
73.02917	3.8
81.03417	5.8
83.04936	1.3
85.02897	64.8
86.03204	1.1
87.04460	1.5
87.30742	1.3
91.03948	4.2
91.05467	100.0
92.05808	2.9
97.02877	38.8
97.03486	2.3
98.23386	2.4
99.04440	2.5
109.02884	6.7
115.03924	4.6
117.06975	1.3
123.04436	2.3
127.03902	17.7
133.06490	2.4
137.05936	1.9
145.04944	25.8
145.06172	1.7
145.06512	1.2
147.04332	1.6
153.01817	13.2
154.02200	1.4
157.06488	1.7
161.04639	1.6
161.06013	4.7
161.09717	1.5
163.05992	9.6
163.07333	1.6
167.06996	1.6
175.03946	1.3
176.04689	1.9
189.09148	2.5
192.07581	1.3
203.03410	3.9
207.10127	6.2
217.08540	3.1
235.05997	4.0
235.09656	1.9
253.07153	1.5
253.10902	2.9
271.11615	1.5
287.05527	8.4
288.05817	25.0
316.80478	1.6
396.84549	1.4
450.09930	8.8
450.16565	31.1
450.22787	2.5
451.18832	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03164	0.6
57.03426	1.9
57.62439	0.5
61.02929	0.8
65.56726	0.5
66.51428	0.6
69.03421	1.2
69.28015	1.1
69.28419	1.9
70.06579	0.8
75.04467	2.3
78.09191	0.5
81.03422	0.8
84.04501	0.6
85.02872	3.3
91.05481	1.0
97.02872	1.4
103.19289	0.7
109.10255	0.5
121.02897	0.8
121.10129	0.6
122.03661	0.7
137.05965	100.0
138.06345	2.9
143.03320	0.6
149.05977	0.8
151.07468	0.7
153.01797	3.9
154.02158	0.9
175.07498	5.2
179.07014	32.6
197.08138	4.2
217.08478	0.7
235.09663	2.0
253.10701	6.9
271.11719	15.6
272.12039	0.8
450.14587	2.4
451.11957	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
51.70086	1.1
53.03925	3.6
55.01859	4.7
55.05505	6.9
56.53000	1.4
57.03430	2.9
61.63851	1.3
67.05495	11.0
69.03423	6.1
69.07064	9.3
69.10254	5.3
69.10661	3.8
71.04983	2.4
75.04459	2.3
79.05490	7.6
81.03398	5.0
81.07050	22.5
82.07391	2.7
83.04961	1.7
83.08609	4.1
84.56397	1.1
85.02898	10.7
85.06532	1.9
87.00818	4.8
90.61685	1.3
91.05466	16.5
93.07034	100.0
94.07373	2.2
95.04965	8.7
95.08595	13.2
97.02886	9.1
97.06513	2.2
98.22716	3.7
99.04431	2.3
103.36041	1.4
105.01870	2.2
105.04524	3.0
105.07021	12.3
106.07346	1.6
107.07833	1.7
107.08582	58.5
108.08925	3.7
109.02868	5.6
109.06508	5.7
109.10145	20.2
110.10481	4.8
111.08070	62.6
112.08401	2.1
117.06985	1.9
119.08566	7.3
120.08934	1.9
121.06468	2.1
121.10130	21.5
122.10472	2.7
123.08038	8.4
123.11655	3.1
125.09637	4.0
127.03890	6.7
127.11191	1.9
129.06963	2.0
131.08533	4.4
133.10135	3.6
135.11661	2.7
137.05988	1.7
137.09579	1.5
139.11174	13.6
143.08534	3.5
145.04916	2.3
145.10103	4.7
146.10466	1.6
147.11667	3.4
149.09601	9.8
149.13187	2.2
153.01810	1.8
154.02184	1.7
155.08574	2.3
157.10101	4.7
158.10391	1.6
159.02872	1.6
159.11659	3.0
161.09560	2.0
161.13225	4.7
167.10661	47.5
171.11656	3.3
173.13377	1.5
175.11151	3.5
179.14330	5.3
180.14633	2.0
185.11711	70.7
186.12018	2.1
187.11148	1.7
189.12665	1.9
199.14787	3.0
215.14268	2.6
217.15871	5.0
218.16127	1.3
223.14824	1.5
233.15408	2.2
235.16879	1.3
253.17821	1.6
263.16336	1.4
270.19119	1.8
276.68530	1.3
285.18454	2.0
322.22543	1.6
340.23825	1.6
357.24100	2.3
390.26022	2.1
395.29346	5.4
396.29868	8.0
413.30411	10.1
414.30759	19.9
431.31372	3.6
432.31845	5.8
449.32333	2.7
450.27612	1.7
450.32938	5.4
451.64978	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.8
55.01867	11.6
55.05506	30.2
57.03425	12.3
57.07055	6.2
59.09690	7.2
61.02925	9.9
67.05502	50.1
69.03426	36.7
69.07060	41.5
69.45689	17.7
69.46103	16.1
71.04989	10.8
79.05491	30.7
81.03414	35.2
81.07071	43.6
83.08604	13.3
85.02906	86.0
87.00813	46.4
91.05482	26.9
93.07034	62.8
95.04963	16.7
95.08607	43.9
97.02883	53.8
97.06525	8.1
97.10180	9.2
99.04450	16.2
105.01888	49.6
105.07036	22.7
107.08591	68.1
109.02883	26.6
109.06544	12.8
109.10144	100.0
110.10504	11.1
111.08051	12.4
119.08574	22.4
121.06506	7.6
121.10134	44.0
123.08025	9.0
123.11676	9.9
127.03914	63.0
131.08537	7.7
133.10101	14.6
135.11658	9.4
137.05931	7.7
138.09122	6.6
143.08568	13.3
145.04913	36.1
145.10149	10.0
146.10461	7.8
147.11742	6.9
149.13232	78.4
151.14871	8.4
153.01845	6.8
157.10097	7.5
159.02916	16.3
159.11613	12.9
167.14297	37.3
170.65813	7.6
173.09578	8.8
185.13368	7.0
187.14841	8.0
189.12799	7.8
218.60080	6.9
231.04938	9.5
239.11995	7.0
271.16998	9.1
272.17374	8.5
286.18796	14.3
341.21243	8.5
352.17322	7.6
353.94247	9.3
359.22147	29.0
396.29663	43.0
413.38556	8.1
414.30893	21.3
450.20193	12.6
450.32837	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	450.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29498	8.2
55.05497	16.5
58.95333	9.4
67.05497	28.0
69.03410	14.7
69.07066	28.5
69.73244	10.2
70.34554	23.1
71.03837	9.8
71.04984	10.9
76.22757	10.0
79.05489	31.5
81.00105	10.6
81.03410	15.6
81.07048	65.6
85.02914	23.1
85.06557	16.9
91.05492	25.0
93.07048	100.0
94.07392	11.3
95.04951	20.1
95.08607	44.4
97.06550	14.8
105.07034	48.2
106.07364	14.4
107.08563	53.4
109.06464	12.2
109.10122	63.3
110.10435	13.3
111.08055	23.4
117.07034	16.1
119.08577	32.7
121.06519	27.6
121.10138	28.2
123.08064	17.7
127.11141	11.7
131.08556	21.0
133.10114	25.7
135.08109	15.9
135.11717	13.5
137.05960	18.6
141.05534	10.8
143.08574	13.7
145.10165	16.3
146.10408	10.2
147.11697	30.1
149.13277	9.7
153.12793	12.6
157.10107	26.7
161.13251	15.4
165.12717	10.6
167.10670	16.8
171.11635	13.6
174.18163	9.2
175.11157	16.9
184.07333	17.0
189.12767	11.5
193.12303	20.3
199.11209	16.0
207.13763	14.3
217.12169	33.6
235.13222	64.0
244.20926	8.5
253.14348	31.5
267.02231	9.6
396.29654	15.5
413.30133	15.4
414.30948	76.2
432.31915	31.3
450.29059	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	451.0845
Annotation	N-desmethyl enzalutamide
Peak:m/z	Relative Intensity
65.94146	0.3
69.03416	0.4
70.06575	0.7
71.41902	0.3
75.33327	0.3
81.03365	0.3
84.78285	0.3
85.88989	0.3
107.06045	0.5
111.16082	0.3
123.04433	0.6
135.05525	4.0
137.02151	0.4
137.05974	2.6
138.06287	0.4
153.01820	1.7
153.06569	0.8
154.04967	1.2
167.07039	4.5
168.07375	2.0
239.23796	0.3
280.08286	0.4
297.10889	1.7
407.12863	0.4
451.08423	100.0
452.08621	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	451.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
59.05014	1.1
60.05691	0.8
69.03433	2.1
71.42013	0.8
72.08134	1.3
76.01289	1.0
79.01848	4.7
81.03410	2.0
85.02877	1.3
94.04164	3.2
97.02872	2.1
105.06999	1.3
107.01287	1.0
109.02818	1.1
120.08044	2.0
122.03619	4.3
125.02308	2.6
127.03970	0.9
133.06444	2.1
134.06827	1.0
137.02361	1.9
137.05952	44.1
138.06287	4.0
143.03375	7.9
153.01807	100.0
153.02899	6.9
154.02156	2.6
165.09126	1.6
166.09468	1.3
167.06978	3.1
168.07326	2.3
171.02795	1.8
177.05484	1.7
179.07022	1.9
183.10109	1.9
184.10555	1.1
190.87460	0.9
191.06944	0.9
199.04176	1.6
200.04634	1.2
215.06982	1.3
217.08597	1.5
239.23926	1.0
245.08044	1.7
247.76230	0.8
257.13831	2.9
258.14108	2.5
364.05643	0.9
451.11606	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72309	0.6
55.11267	0.6
70.06573	0.8
72.08133	0.6
81.03405	1.0
84.08143	1.4
120.08067	1.0
127.00070	1.0
137.05977	1.5
143.71487	0.7
149.06049	0.8
151.03935	2.5
153.01801	1.5
158.05251	0.8
167.03236	1.2
185.04239	1.5
185.05777	4.4
202.06021	3.3
203.06888	1.5
227.05241	3.5
271.04233	4.1
289.04944	0.7
304.05341	0.9
365.12039	6.2
389.12131	1.7
407.13126	37.9
408.13498	2.7
421.39304	0.7
451.12100	100.0
452.12415	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	451.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
53.87070	0.6
57.03413	0.8
69.03413	2.6
70.61781	1.1
79.01833	1.9
81.03411	4.4
83.04982	0.8
85.02905	4.5
97.02871	3.2
97.03436	0.9
101.06000	1.2
107.01298	1.2
109.02865	3.4
123.94980	0.6
125.02335	2.3
127.03899	7.3
143.03378	4.8
152.49930	0.6
153.01807	100.0
154.02116	2.2
171.02861	11.7
254.04051	0.8
287.05481	3.1
288.05869	2.7
289.06055	5.7
297.06009	4.0
315.07068	11.5
438.20404	0.7
451.08115	1.3
451.12805	1.1
451.17517	3.7
462.90051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35460	1.3
52.49038	1.1
53.03922	1.6
56.96549	5.6
61.02922	2.8
69.03422	7.4
71.04986	3.1
74.60097	1.3
74.68341	1.2
79.01847	2.8
81.03389	5.6
81.07033	2.8
85.02887	10.3
86.40459	1.2
89.78200	1.3
95.06084	5.1
97.02855	6.7
98.97551	6.1
99.04438	1.4
101.05983	1.6
109.02861	3.9
111.05534	13.5
116.98618	3.4
123.04612	1.9
123.05518	10.7
125.02375	2.6
125.07083	1.8
127.03884	8.6
128.98557	1.6
136.07576	1.5
139.03882	1.3
141.05574	1.4
141.06558	22.7
143.03368	5.5
153.01811	100.0
153.02861	4.2
153.44962	1.4
154.02132	2.7
158.99692	1.4
171.02895	10.0
175.02716	1.9
177.00783	1.6
185.39885	1.1
209.12891	2.6
216.69980	1.3
217.03893	1.8
221.12866	5.5
237.02534	1.3
239.13875	10.1
241.15480	4.2
253.15575	1.3
268.79376	1.3
271.16486	29.7
287.05438	5.3
288.05710	6.0
289.06146	8.1
289.17490	9.9
297.05865	2.2
315.07034	13.4
316.96362	1.5
319.06909	6.2
334.97485	2.2
337.07800	6.4
379.00125	2.2
397.01102	2.8
433.21838	8.5
451.12833	11.4
451.17654	3.8
451.23065	10.1
452.12479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.5
53.03940	0.9
55.01864	1.8
55.05510	2.0
57.03440	1.5
59.04987	0.5
63.64326	0.5
65.03928	1.6
67.05499	4.4
69.03419	4.0
69.07078	2.6
70.36568	1.2
71.04997	1.2
73.37649	0.6
75.04485	0.7
77.03901	0.8
79.05492	5.8
81.03411	5.4
81.07060	6.6
82.04184	0.5
82.07415	0.7
83.04976	0.8
83.08630	0.8
85.02900	5.6
91.05492	4.0
93.03394	0.8
93.07038	12.5
95.04971	3.3
95.08611	4.6
97.02879	1.4
97.06547	3.1
97.10153	0.8
99.08099	0.6
103.05437	0.8
105.07037	4.0
107.04949	3.5
107.08593	3.2
109.02870	2.1
109.06415	0.6
109.10159	7.3
110.03660	3.3
110.10513	1.4
111.04441	1.0
111.08070	0.9
115.05466	1.0
117.07030	0.8
119.04988	0.6
119.08609	3.7
121.06482	1.6
121.10148	11.2
123.04423	0.9
123.08057	1.2
123.11735	0.7
125.05991	16.7
125.09608	0.7
127.03889	0.9
127.11180	0.6
129.06982	0.7
131.04912	1.1
131.08562	1.4
133.02847	1.4
133.06493	1.2
133.10126	1.2
135.04402	0.6
135.08011	0.6
137.05974	5.4
137.09607	2.3
138.03123	1.3
143.08578	0.7
145.06465	0.9
145.10106	1.5
147.04414	1.7
147.08041	1.2
147.11674	0.6
149.05963	0.7
149.09616	5.3
153.05463	100.0
154.05774	2.2
157.10178	0.9
159.04340	1.0
159.08006	1.1
161.05989	4.7
165.05476	2.3
167.03387	2.0
167.07010	2.7
167.10628	0.9
173.06015	1.5
173.09630	0.8
173.13188	0.7
175.03995	0.8
175.07539	1.5
177.05487	3.9
179.06989	1.3
183.11604	0.8
183.85780	0.6
187.07521	0.9
187.11366	0.6
191.07028	9.3
193.04961	1.4
193.08592	9.9
199.07507	0.9
201.09146	2.9
201.12769	0.6
203.07025	1.6
204.04164	0.7
205.08626	1.5
207.06534	2.5
211.11221	0.6
213.05243	0.5
214.09898	0.8
217.08601	0.9
219.06580	3.8
229.08569	1.1
229.12212	3.1
231.06541	2.8
231.10167	1.1
233.08043	3.7
233.11691	5.5
239.10710	1.5
243.13693	0.9
247.13347	0.6
256.10959	0.6
257.11771	1.0
261.14862	5.4
271.13260	3.6
281.13779	2.3
289.14355	8.1
313.08914	0.5
397.16483	0.9
414.30667	2.2
415.30963	1.7
433.18527	1.2
451.19275	1.6
451.33936	1.2
452.42850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.7
55.05502	16.3
57.03408	7.7
62.05956	6.1
67.05494	38.1
69.03422	9.1
69.07056	28.4
70.32920	11.3
71.04987	38.2
75.94855	5.9
78.36761	4.7
79.05485	37.2
81.03445	10.5
81.07047	62.5
83.04951	11.9
85.02903	69.7
85.06531	6.1
86.09683	12.1
87.04474	14.1
91.05460	16.2
93.07036	48.6
95.04974	13.0
95.08587	75.1
97.02899	6.1
97.06534	13.3
99.04453	45.3
104.85247	5.3
105.07023	13.4
107.08590	23.3
109.02908	5.7
109.10144	22.1
111.08089	6.4
115.03900	10.0
117.07009	11.3
119.08553	16.0
121.06502	16.6
121.10120	49.1
123.11654	14.4
124.67111	4.3
127.03905	15.5
128.10707	7.5
131.08551	14.8
133.10132	7.1
135.08081	8.1
135.11671	16.0
137.05949	7.3
139.11168	60.9
140.63197	4.8
145.10120	5.9
149.09596	8.0
149.13271	6.0
151.07478	6.1
153.05467	13.0
153.12740	15.9
155.08405	6.0
157.10141	7.9
159.11700	26.8
167.07002	7.4
169.12259	32.9
170.11755	10.5
173.13269	9.7
181.21768	6.3
183.11630	10.1
191.14275	17.1
201.12752	16.9
219.13812	56.4
237.14761	37.0
255.15891	95.7
273.16995	11.6
346.36835	5.5
371.53827	5.6
379.01089	5.7
407.00266	7.3
451.56360	5.5
453.00702	6.1
453.17197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37084	2.2
55.01866	3.9
55.05507	5.7
56.06372	2.6
57.03428	22.6
57.61496	2.2
58.62819	2.3
59.04997	5.7
59.09727	2.8
60.04531	3.0
61.02927	4.1
67.05498	7.9
69.03423	76.7
69.07056	2.6
69.41718	10.3
71.04991	12.2
73.02919	3.5
75.04459	2.6
77.42949	2.1
79.05489	5.3
81.03420	3.1
81.07039	17.3
83.04948	3.3
83.08595	2.7
85.02897	74.4
87.04456	56.3
91.05475	6.9
91.53920	2.2
93.07037	5.0
95.08601	4.2
97.02885	66.8
97.03488	4.4
97.06522	4.2
99.04433	3.3
100.11269	6.7
101.01722	2.5
101.02410	2.7
104.10734	4.1
105.07027	3.5
106.35394	2.5
107.08614	3.6
109.02856	2.6
115.03920	89.5
121.10092	3.5
122.09666	9.7
123.11697	6.4
124.07592	5.6
127.03939	11.5
133.04962	100.0
137.06020	13.3
138.06323	8.0
141.12692	2.8
145.04942	21.5
147.11716	3.6
150.07594	13.4
153.01703	2.3
161.06029	2.5
169.04953	2.6
173.13159	2.1
182.15401	3.1
184.07298	3.6
194.24687	2.6
210.14955	3.5
219.13635	3.1
231.13791	2.2
237.14766	3.9
259.07956	3.4
270.80835	2.5
277.09091	3.2
285.12341	5.1
332.60602	2.0
397.54041	2.1
406.17551	6.6
419.39120	2.5
452.18030	6.0
453.20413	2.6
453.34198	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	452.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	23.3
56.24024	8.1
57.03431	11.0
62.12629	8.8
67.05494	12.7
69.03432	8.7
69.07069	11.3
69.87637	23.8
69.87971	8.6
70.06580	18.9
73.99082	9.0
74.31996	7.8
79.05479	18.7
81.03387	9.2
81.07045	19.7
83.05012	8.1
83.08586	23.9
83.18623	8.6
85.02875	15.3
85.06539	11.8
86.09659	10.8
91.05464	14.6
93.07026	39.2
95.04977	42.8
95.08595	19.1
97.02931	9.4
98.23452	11.1
99.39410	8.7
100.11251	80.6
101.88297	8.3
105.07010	11.8
107.08578	23.4
109.02861	10.7
109.10134	12.0
110.18288	8.3
111.04398	9.9
111.08076	16.0
112.07619	11.8
117.88219	8.6
121.10138	27.0
127.03922	12.1
128.90517	8.9
133.10139	13.4
137.05910	17.6
138.09099	21.5
143.10632	9.4
149.09567	14.5
151.11122	14.6
156.10182	30.7
167.10625	13.1
182.15390	25.9
184.09677	10.3
187.13156	10.1
192.38582	8.3
209.16498	30.1
210.14876	13.5
219.17334	12.3
400.65646	9.0
407.00168	11.6
435.33127	29.1
452.18109	14.4
453.00992	13.6
453.12930	59.6
453.20413	18.4
453.34286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92053	0.9
98.23200	0.7
100.11255	0.6
123.04433	0.7
135.61954	0.4
139.03874	0.7
153.01825	1.1
199.03999	0.4
200.09294	1.0
202.74152	0.5
203.55696	0.4
223.03790	0.5
251.03542	0.6
279.02786	0.6
295.02432	1.0
307.02246	0.6
323.01968	2.1
351.01361	1.6
363.01196	1.2
379.00763	3.9
407.00250	5.3
408.00122	0.6
425.01593	0.6
435.00156	0.5
453.01038	6.8
453.09979	100.0
454.01086	0.8
454.10233	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	453.1386
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
51.02378	0.6
52.15695	0.3
52.54836	0.3
53.03940	0.8
55.01863	0.9
55.05506	0.4
57.03409	0.9
59.04993	0.8
61.02934	0.3
62.67815	0.3
69.03103	0.5
69.03423	4.1
69.26918	1.5
70.06563	0.8
71.04974	0.9
79.01849	3.6
79.05435	0.5
81.03413	5.1
81.07016	1.4
81.40970	0.3
83.04934	0.3
85.02892	5.8
85.06525	0.9
87.04428	0.4
91.05457	0.9
93.07026	1.4
95.04928	0.6
95.08544	0.8
97.02873	3.1
97.06476	0.5
99.04443	1.3
99.31813	0.5
100.07581	0.4
101.06049	0.5
103.03909	0.5
103.83344	0.4
105.07022	1.2
107.01313	2.0
107.08569	0.9
109.02853	5.0
109.06485	0.6
117.06983	0.5
120.37644	0.4
121.06493	1.0
124.07600	0.4
125.02334	4.3
127.03906	7.0
127.20648	0.4
129.05455	1.8
133.10130	0.6
137.05956	0.6
139.05417	0.3
141.06914	0.4
143.03392	5.6
145.04922	1.0
145.06499	0.5
145.10106	0.5
147.06516	0.5
149.05832	0.4
151.07539	0.6
153.01808	100.0
153.02849	4.1
154.02109	2.0
163.07539	0.6
167.04840	0.4
171.02861	9.0
175.07484	0.6
186.11174	0.7
187.07494	0.9
187.11304	0.6
195.04466	0.8
211.03839	0.4
211.07420	0.4
213.03889	0.6
216.83713	0.4
222.02664	0.4
223.03842	0.8
229.08484	0.4
237.03781	0.4
239.03351	0.7
251.03381	0.6
255.04892	1.0
262.80963	0.4
267.02780	1.3
279.02878	0.7
289.85464	0.4
291.00143	0.4
291.02927	2.0
291.13254	1.3
295.02408	1.2
297.06058	4.8
307.02359	0.8
313.03207	0.5
315.07004	6.2
323.01862	4.6
335.01834	0.5
341.02759	0.7
351.01248	3.9
363.01425	2.2
364.01694	0.4
379.00787	9.4
380.01172	0.7
381.02396	0.7
391.00763	1.5
391.11276	0.5
397.01874	0.4
407.00305	12.5
408.00595	1.2
409.01956	0.5
417.22263	0.4
425.01382	1.1
434.99710	0.8
452.22961	0.8
453.00836	15.2
453.07852	1.3
453.21976	1.7
454.01123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	27.4
62.27267	3.2
65.35728	3.2
69.03426	6.3
69.07061	3.4
73.90164	3.5
77.52451	3.0
79.05486	3.5
81.07047	6.1
82.06594	4.6
83.08611	17.7
84.32016	3.6
91.05489	5.6
93.07048	11.8
95.08595	4.2
98.06071	4.5
98.23092	22.1
100.11252	91.5
105.07024	8.8
107.08574	8.4
109.10172	6.0
111.04447	7.2
117.06996	3.3
119.08584	6.6
119.22986	3.3
121.10145	8.4
123.08045	3.3
126.09218	4.2
127.08689	3.3
128.07065	4.9
131.08517	4.1
137.06001	5.6
139.08658	6.1
142.12299	12.1
149.09596	4.8
153.01843	3.6
168.13860	11.2
182.15396	20.3
203.05211	6.7
209.16476	20.2
210.14925	26.7
226.19202	6.3
228.15927	5.8
269.18521	7.9
291.12061	14.5
295.20145	8.7
301.17923	4.5
304.81052	3.5
407.00284	10.3
435.33554	20.5
446.98587	3.8
452.36121	15.8
453.00711	11.7
453.17004	61.0
453.34592	100.0
454.17648	7.1
461.41315	3.3
469.06351	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	453.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.13299	0.4
69.03432	0.4
76.38754	0.4
93.07043	0.4
100.11256	1.1
106.53123	0.4
118.63874	0.4
143.08553	0.4
145.10121	0.4
172.31349	0.4
185.04169	0.5
197.70448	0.4
203.05255	4.3
229.11961	3.5
231.09892	0.7
247.12984	0.8
268.69043	0.4
273.10977	1.2
291.11981	22.7
292.12244	0.7
409.18350	1.9
453.17227	100.0
454.17502	5.1
464.32141	0.4
473.93094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
60.77292	4.1
67.05499	8.7
69.03416	11.9
69.07057	7.6
70.48540	7.9
71.04960	20.2
77.98903	4.5
79.05478	7.4
81.03416	7.6
81.07053	15.9
83.04962	5.0
84.08086	5.5
85.02895	9.1
85.06529	10.0
91.05455	5.6
93.07043	13.1
95.04950	9.1
95.08617	8.1
97.02895	13.2
105.07030	11.0
107.08596	14.5
109.02895	7.3
109.10119	9.4
119.08608	8.8
121.10129	30.7
124.15707	5.0
125.09639	9.6
127.03915	9.2
127.11152	4.6
129.05447	4.9
131.08565	5.4
133.10081	23.8
135.11682	5.7
137.05969	8.0
138.05463	5.2
140.07043	7.4
143.10655	24.1
145.10109	5.0
147.11664	7.9
151.03874	4.1
151.11049	4.3
153.01819	100.0
153.03036	7.0
159.11754	7.6
161.13182	5.0
163.03793	4.1
169.12180	5.7
170.12549	5.5
171.02638	4.4
189.16272	10.2
200.43764	4.8
207.17279	5.5
217.47688	4.7
219.17487	13.4
237.18472	8.6
255.19574	10.5
273.20706	6.6
288.87180	4.9
295.02310	5.4
315.06873	5.8
323.02017	5.4
351.01520	7.0
379.00711	8.2
379.09921	6.7
407.00052	8.3
453.01028	25.1
453.13855	18.9
453.20917	33.2
456.61029	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	453.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
60.77292	4.1
67.05499	8.7
69.03416	11.9
69.07057	7.6
70.48540	7.9
71.04960	20.2
77.98903	4.5
79.05478	7.4
81.03416	7.6
81.07053	15.9
83.04962	5.0
84.08086	5.5
85.02895	9.1
85.06529	10.0
91.05455	5.6
93.07043	13.1
95.04950	9.1
95.08617	8.1
97.02895	13.2
105.07030	11.0
107.08596	14.5
109.02895	7.3
109.10119	9.4
119.08608	8.8
121.10129	30.7
124.15707	5.0
125.09639	9.6
127.03915	9.2
127.11152	4.6
129.05447	4.9
131.08565	5.4
133.10081	23.8
135.11682	5.7
137.05969	8.0
138.05463	5.2
140.07043	7.4
143.10655	24.1
145.10109	5.0
147.11664	7.9
151.03874	4.1
151.11049	4.3
153.01819	100.0
153.03036	7.0
159.11754	7.6
161.13182	5.0
163.03793	4.1
169.12180	5.7
170.12549	5.5
171.02638	4.4
189.16272	10.2
200.43764	4.8
207.17279	5.5
217.47688	4.7
219.17487	13.4
237.18472	8.6
255.19574	10.5
273.20706	6.6
288.87180	4.9
295.02310	5.4
315.06873	5.8
323.02017	5.4
351.01520	7.0
379.00711	8.2
379.09921	6.7
407.00052	8.3
453.01028	25.1
453.13855	18.9
453.20917	33.2
456.61029	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	453.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	14.1
69.03425	11.0
69.07053	11.7
70.18791	14.4
70.19160	21.0
71.04993	35.0
71.50791	9.6
76.97489	8.8
79.05484	13.2
80.08881	9.3
81.07061	27.2
81.26639	10.3
85.02901	9.8
85.06550	14.4
91.05477	14.1
93.07038	41.0
95.04959	19.6
95.08636	19.6
105.07031	39.6
107.08586	35.3
109.10134	26.7
119.08583	15.4
121.10133	72.1
123.18408	9.6
125.09624	44.0
127.11190	19.5
129.05482	14.8
131.08659	12.7
133.10141	81.7
143.10664	100.0
145.10101	13.8
151.11151	17.7
153.01880	14.1
153.18573	9.7
159.11668	14.7
189.16371	39.2
207.06943	10.3
219.17395	52.4
237.18430	44.7
255.19617	29.6
273.20483	13.7
407.00797	10.7
425.05807	11.1
453.00729	30.4
453.20898	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05507	17.7
57.07062	4.7
64.85466	1.4
65.03922	2.0
67.05503	22.8
69.07070	14.8
70.55662	3.7
71.04980	1.5
79.05482	21.7
81.07050	58.4
83.04974	17.6
83.08617	10.7
91.05470	26.8
91.05993	2.7
93.07035	45.9
95.04964	8.8
95.08598	90.2
97.06521	3.9
97.10169	4.8
100.73409	1.7
105.07021	72.5
106.07341	1.5
107.08583	70.0
109.06505	6.1
109.10147	48.7
110.48592	1.3
111.08070	6.5
111.48593	1.5
115.05458	2.2
117.07027	10.2
119.08569	100.0
121.06505	2.6
121.10133	51.4
123.08059	5.7
123.11700	21.6
125.09616	8.1
129.06996	5.4
130.07777	3.0
131.08551	32.0
133.10117	63.3
133.80907	1.6
135.08037	4.5
135.11682	27.2
137.09567	3.1
137.13251	2.0
141.07010	1.7
142.07726	2.4
143.08566	12.5
144.09303	2.4
145.08968	3.2
145.10107	57.9
145.11221	3.3
146.10753	1.6
147.08060	2.2
147.11668	42.2
148.12041	2.2
149.09572	4.3
149.13226	19.3
151.11197	5.3
153.09090	5.6
155.08505	2.3
156.09317	2.6
157.10115	18.1
158.10849	3.6
159.11673	44.7
161.09645	3.7
161.13249	31.6
163.11169	4.1
163.14795	19.8
165.12674	2.9
167.10657	2.6
169.10065	3.3
170.10901	2.9
171.11691	13.4
172.12398	2.4
173.13245	36.5
175.11189	2.2
175.14804	37.7
177.09099	2.4
177.12781	4.4
177.16394	29.6
179.10803	1.6
183.11661	4.1
184.12509	2.5
185.13167	10.6
186.13959	2.0
187.14804	60.7
188.15143	2.2
189.12729	2.2
189.16357	65.7
190.16719	2.1
191.14304	28.7
191.17911	21.8
193.15836	2.2
197.13249	2.2
198.14024	1.7
199.14815	19.5
201.16360	46.0
202.16772	2.3
203.14397	14.6
203.17932	53.5
203.19843	2.6
204.18243	2.7
205.15858	63.3
205.19286	7.2
206.16223	2.1
207.17419	3.7
211.14764	2.9
213.16383	20.5
215.14355	1.8
215.17928	20.7
217.15903	16.6
217.19518	5.4
219.17470	22.3
221.15384	6.2
223.14851	3.0
223.16873	1.7
225.16396	2.1
227.17921	5.5
229.15826	5.9
229.19481	5.4
231.17401	5.8
231.21152	2.4
233.18979	4.1
235.16913	13.6
241.19528	4.7
243.17319	2.5
243.21121	3.5
245.18997	2.5
247.16908	8.9
249.18524	6.3
253.19490	2.3
255.21049	3.7
257.18842	2.2
261.18506	6.6
267.21027	4.4
281.22504	2.7
289.21686	2.1
293.22644	3.6
311.23639	4.4
379.33533	6.4
389.31921	13.9
407.33044	60.1
408.33322	3.6
409.34564	2.7
423.32452	6.4
425.33939	5.1
433.35345	1.5
435.32608	18.0
453.33701	43.9
454.33902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58624	2.2
55.05505	18.3
57.03441	3.0
57.07056	6.1
59.04996	2.9
65.03910	3.6
67.05502	39.4
69.03403	2.3
69.07073	20.1
79.05492	26.5
81.06625	3.9
81.07056	54.2
83.04973	21.2
83.08604	12.7
85.06523	3.8
89.06009	2.5
91.05470	27.9
93.07032	63.5
95.04971	18.8
95.08602	92.9
97.10154	8.2
100.11251	3.5
105.07021	78.0
107.04932	2.7
107.08585	87.7
109.06514	11.5
109.10146	55.7
111.08072	9.1
117.06998	11.6
119.08569	100.0
121.06525	3.5
121.10133	52.3
123.08031	8.9
123.11707	15.7
125.09622	11.6
125.10426	2.3
129.06972	4.2
131.08557	27.7
133.10123	55.1
135.08015	6.5
135.11676	28.9
137.09567	5.2
137.13184	3.1
142.07741	3.6
143.08566	19.4
144.09315	6.4
145.10115	70.0
147.11676	39.6
149.09598	5.1
149.13235	18.6
151.11177	7.6
153.09091	6.4
156.09348	3.1
157.10168	15.5
159.11690	59.5
161.09645	4.4
161.13249	38.2
163.11154	4.9
163.14819	19.3
165.12753	3.9
169.10130	5.2
171.11681	16.8
173.13243	26.4
175.11063	3.0
175.14799	28.2
177.09120	4.6
177.12778	4.7
177.16327	19.4
183.11681	6.2
185.13252	9.5
187.14775	51.8
189.12894	4.2
189.16368	49.9
191.14268	14.1
191.17891	18.5
193.15872	4.6
197.13251	6.6
199.14838	10.6
201.16385	66.8
203.14307	3.9
203.17950	30.0
205.15855	18.8
205.19496	3.1
209.13232	3.2
211.14807	4.3
213.16359	29.6
215.17918	43.1
217.15892	15.9
217.19435	5.7
219.17430	34.2
223.04219	2.4
225.16318	3.2
227.17909	5.0
231.17438	7.4
233.18900	3.9
234.87459	2.5
235.16978	13.7
241.19489	8.1
243.21074	5.8
247.16945	13.8
249.18451	5.5
253.19566	5.5
255.20987	7.8
261.18573	19.2
267.21045	7.8
286.24460	2.4
311.23727	3.8
389.31793	12.6
395.29553	3.1
407.33051	54.1
408.33215	2.6
409.34528	3.4
435.28482	2.8
435.32446	21.5
453.33774	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.5
55.05503	20.5
57.03430	2.8
57.07057	5.5
59.04981	2.4
65.03935	4.9
66.83210	2.2
67.05493	38.1
69.07064	23.2
71.04985	2.9
72.12280	2.4
77.03931	2.5
79.05499	26.4
81.07050	61.2
81.07499	3.8
83.04974	20.8
83.08605	13.1
85.06571	2.3
91.05466	39.5
93.07034	55.7
95.04951	12.5
95.08595	82.1
95.09210	4.2
96.08954	2.1
97.06520	3.1
97.10156	6.4
105.04532	2.6
105.07017	67.7
106.07325	2.1
107.08578	83.5
108.08962	1.9
109.06525	10.0
109.10137	49.8
111.08084	7.4
115.15644	2.3
117.07015	9.2
119.08565	100.0
121.10126	63.3
123.08066	7.3
123.11697	19.5
125.09636	11.0
128.06224	3.2
129.06990	5.2
131.08553	31.4
133.10114	64.9
135.08075	3.2
135.11684	29.7
137.09627	6.4
142.07753	4.8
143.08571	14.0
144.09309	5.5
145.10112	64.0
147.11662	37.4
149.09648	4.7
149.13242	19.4
151.11174	5.0
153.09082	4.9
153.12637	2.1
155.08582	3.1
156.09265	2.8
157.10085	14.9
158.10799	2.5
159.11665	53.7
161.13240	29.1
162.13516	2.9
163.11142	4.1
163.14810	19.0
165.12738	3.0
165.16313	2.2
169.10114	3.0
171.11760	12.4
173.11795	3.2
173.13225	34.6
175.14786	29.8
177.16367	19.1
183.11768	2.8
185.13269	8.5
187.14789	57.2
188.15201	3.0
189.16360	61.4
191.14330	13.5
191.17908	17.9
193.15880	3.4
197.13239	3.5
199.14777	13.8
201.16362	74.0
203.14156	3.9
203.17920	26.6
205.15822	26.9
205.19521	2.6
207.17409	4.4
210.18481	11.7
211.14868	3.4
213.16321	30.2
215.17897	36.3
217.15880	10.6
217.19514	8.5
219.17412	43.3
225.16356	5.1
227.17958	6.0
229.14113	2.4
229.16060	2.6
229.19550	4.5
231.17519	6.2
233.18956	5.8
235.16859	14.3
241.19499	9.6
243.17444	2.5
243.21141	7.1
247.16928	8.9
255.21046	7.9
257.22516	2.6
261.18472	11.3
267.21066	8.7
269.22696	3.0
281.22559	4.5
283.20612	2.8
333.25909	2.6
341.24945	2.4
377.32095	3.3
389.32031	6.4
390.32043	2.4
407.33032	60.3
408.33371	7.3
409.34604	4.2
423.32364	4.0
435.27408	2.9
435.32394	13.1
453.33618	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05504	23.7
57.03424	4.4
65.03930	4.1
67.05496	52.6
69.07054	14.5
69.52625	12.0
71.04997	5.9
79.05476	30.6
81.03414	15.4
81.07048	100.0
82.07370	3.0
83.04979	16.2
83.08606	17.9
85.02892	10.2
85.06528	9.5
86.96636	2.5
91.05475	36.0
92.15752	2.4
93.07035	30.3
95.04979	13.9
95.08598	66.5
97.06516	4.0
97.10179	7.7
98.23410	4.0
100.11259	3.7
105.07017	48.4
107.04940	4.5
107.08581	49.0
109.06514	9.7
109.10149	33.2
111.08064	7.9
117.07005	9.7
119.08572	60.9
121.10136	37.8
123.08047	4.6
123.11697	22.8
125.09621	9.9
129.06946	3.0
131.08548	26.7
133.10109	38.2
135.08037	3.5
135.11674	19.7
143.08578	13.9
145.10115	43.4
147.11668	24.5
149.09622	6.9
149.13232	8.4
150.70685	2.9
151.11189	9.1
157.10097	16.5
159.11696	30.6
161.09570	3.8
161.13237	14.4
163.11182	5.6
163.14807	7.2
169.12196	3.5
171.11708	7.8
173.13260	20.8
175.11166	5.1
175.14818	22.6
177.16422	7.8
183.11665	3.8
185.13197	6.2
187.13364	5.1
187.14781	22.6
189.11288	4.0
189.16351	26.4
191.10739	2.9
191.14325	8.7
191.17963	9.5
193.12224	21.2
199.14799	10.7
201.16388	30.4
203.17964	12.0
205.15900	20.8
211.13164	15.6
213.16345	18.4
215.17892	17.2
217.15863	6.7
219.17458	22.9
224.02213	2.6
227.17943	3.2
229.19470	4.2
233.18903	3.3
235.16901	11.9
241.19507	4.6
247.16872	5.9
253.19640	3.2
255.21126	5.3
261.18484	4.5
267.21198	5.4
311.23608	3.9
382.28046	2.6
389.31885	3.9
407.33020	40.2
408.33206	3.0
435.32672	10.7
453.28699	18.6
453.33560	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	454.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96538	3.7
60.08144	3.6
64.95683	1.1
68.29250	1.2
69.03414	4.0
70.06580	7.1
71.43739	1.0
76.40524	1.2
78.33672	1.0
79.01812	2.0
81.03426	7.5
85.02892	3.8
86.05994	1.0
97.02874	4.8
98.97574	6.7
99.04421	1.6
109.02873	3.8
112.07587	4.0
116.98609	4.0
125.02378	2.3
127.03918	7.4
134.99612	1.9
140.07036	2.5
143.03383	4.2
153.01804	100.0
154.02127	2.7
154.37378	1.1
163.03918	2.9
167.07004	2.6
171.02866	13.5
172.94357	1.4
182.09404	1.7
190.95428	1.3
200.08740	1.4
210.08788	1.5
210.16273	1.2
229.36845	1.2
232.96399	1.6
237.02731	1.9
244.07452	2.5
274.97525	3.0
292.98444	1.4
297.06003	8.5
303.00854	1.8
315.06995	16.5
322.00131	1.3
362.63684	1.3
368.00403	2.6
380.01126	2.7
408.00598	3.1
430.00150	2.6
454.00909	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78257	3.4
55.01863	5.8
55.05510	29.9
56.34457	3.7
57.03435	7.3
57.07074	5.6
67.05501	57.0
69.03407	5.5
69.07069	41.6
71.04986	23.4
73.02897	4.5
79.05491	14.4
81.03413	4.2
81.07049	100.0
83.04967	11.6
83.08615	14.6
85.02901	63.5
85.06532	4.8
87.04427	8.7
91.05477	19.0
93.07030	19.9
95.04940	9.3
95.08606	32.7
97.02879	3.9
97.06504	5.5
97.10181	5.5
99.04457	31.6
100.11253	5.6
101.02345	9.4
103.03942	8.3
105.07036	24.4
105.07619	4.0
107.08569	12.2
107.26938	3.9
108.71759	4.0
109.06481	6.9
109.10151	8.8
111.04409	5.6
113.05974	4.1
115.03918	11.8
119.08549	27.2
121.06442	5.8
121.10133	16.7
123.08075	8.8
123.11689	51.2
127.03908	8.9
133.10127	13.7
134.43573	4.1
135.08055	5.8
137.09596	4.5
137.13249	13.1
139.07542	6.3
139.11179	15.2
141.12743	48.1
145.04976	9.1
147.08015	5.6
155.14290	38.9
159.11685	6.3
161.13252	34.8
165.09171	7.7
175.14810	16.9
184.27194	4.4
185.13246	11.3
192.81734	3.8
193.15868	9.0
203.14275	15.9
221.15349	65.0
239.16391	62.3
257.17441	26.3
350.40326	4.5
411.19867	6.7
455.18292	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	454.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.3
55.05508	6.7
57.03429	20.6
59.04997	3.3
61.02909	6.0
67.05497	10.2
67.20532	2.0
67.62405	2.1
69.03426	87.2
69.07065	12.2
70.00006	4.7
70.00359	3.7
71.04967	5.3
73.02923	4.6
75.04443	2.7
75.39963	2.3
79.05478	6.2
81.03410	6.9
81.07056	10.6
83.04977	3.3
83.08617	7.1
85.02898	84.0
87.03964	3.9
87.04459	47.3
91.05470	6.5
93.07040	7.6
95.08579	6.4
97.02885	71.2
97.06538	2.7
99.04475	3.0
100.11255	3.1
105.07050	5.6
107.08576	5.8
109.02875	5.7
109.06534	3.4
109.10126	4.1
111.08089	2.4
115.03922	89.0
117.07000	2.8
119.08593	5.0
121.06446	2.6
121.10137	5.8
122.09658	9.7
123.11635	2.0
125.06051	2.2
127.03880	13.6
133.04953	100.0
133.10115	3.4
135.11725	2.8
139.03879	2.7
142.02173	2.0
145.04935	22.7
147.08058	2.4
150.07613	13.4
150.08847	2.1
153.12680	4.5
161.13152	2.6
163.06003	4.7
191.14261	2.5
209.15366	3.9
209.66887	2.4
221.15213	3.5
234.14888	2.7
239.16393	2.6
241.07037	3.3
259.07886	3.3
267.08926	2.4
277.09103	2.7
287.18469	2.8
292.19003	4.3
324.11032	2.1
434.71808	2.2
454.19321	4.1
454.29514	2.9
454.34628	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	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.28672	0.6
53.33933	0.7
55.05501	3.2
57.03427	3.8
57.07071	21.6
62.06083	26.5
67.05495	4.6
69.07063	3.8
71.08624	15.2
81.07040	5.7
83.08607	4.0
85.10168	8.9
89.06004	1.2
92.92974	0.8
93.07101	0.8
95.08598	7.8
97.10150	3.7
98.23518	1.2
98.98457	5.6
109.10142	4.1
122.52633	0.7
123.11656	1.5
124.01637	1.6
142.02609	1.0
155.01027	6.2
173.02097	0.7
198.05264	2.0
216.06366	2.2
239.23694	1.6
240.24016	0.8
282.27924	9.4
313.27332	100.0
314.27658	6.4
393.23953	5.5
436.28305	1.8
454.28528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40286	0.7
55.05494	2.2
57.07071	40.8
67.05521	0.7
69.07055	1.7
70.92230	1.0
71.08626	26.0
73.06548	6.1
73.95013	0.6
83.08615	1.9
85.10175	20.9
87.04479	3.7
89.06022	100.0
90.06351	1.4
91.07592	0.8
97.10155	2.8
99.11703	3.7
107.07063	2.9
113.13268	2.5
117.09139	3.2
130.08583	0.6
131.06966	1.0
133.08592	43.2
151.09682	0.7
153.92355	0.7
155.17926	2.6
170.17032	0.7
173.46443	0.7
177.11194	13.9
195.12285	2.3
199.20511	3.8
221.13837	1.5
239.14836	2.3
243.23209	7.2
283.17480	13.8
287.25864	2.3
303.71298	0.6
308.45529	0.7
311.38617	0.7
343.81714	0.6
350.04605	0.7
392.76239	0.7
393.31775	1.0
431.40359	0.7
437.34668	11.3
458.22559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14546	0.7
71.38654	0.5
90.69670	0.5
104.00845	0.5
107.48492	0.5
127.00021	0.6
157.57669	0.5
167.06917	0.7
185.04243	1.1
189.05209	0.8
191.03207	0.5
206.05495	8.6
207.06276	10.3
227.05249	2.9
271.04214	4.8
276.51086	0.5
293.09952	1.2
351.10400	0.7
369.11597	6.1
393.11655	0.8
411.12622	42.3
412.12915	2.1
455.11533	100.0
456.11880	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	455.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47022	1.2
112.89600	46.5
114.89282	1.7
172.90855	1.6
202.91789	0.8
232.92899	1.1
274.93845	1.3
362.80078	0.6
455.11584	100.0
456.12033	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	455.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64433	1.2
59.37382	1.0
59.79975	0.9
66.20544	1.2
66.79849	1.1
69.03436	2.5
69.58018	1.8
69.58413	2.8
70.06573	1.5
72.52904	1.1
76.36543	1.0
79.01849	5.1
81.03410	6.4
85.02902	4.0
97.02864	5.5
98.22611	1.1
98.97639	1.1
103.03965	1.9
106.04752	1.0
107.01303	1.6
109.02860	2.9
115.05441	2.0
125.02322	5.1
127.03914	2.9
131.14185	1.0
143.03444	5.4
143.04922	1.3
145.29015	1.0
153.01816	100.0
153.02853	4.7
154.02193	2.3
167.03445	1.1
171.02876	5.2
171.04320	2.2
177.05443	1.6
195.02820	1.4
203.07024	3.3
207.06592	3.0
231.06470	12.3
249.07558	2.7
255.05019	2.8
297.06046	6.6
315.07040	1.8
455.14389	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	455.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03932	1.0
57.03429	0.5
67.03736	0.6
67.05476	0.4
68.01971	0.4
69.03131	0.3
69.03428	2.8
70.06583	0.8
71.04974	0.9
71.48597	0.3
73.02899	0.6
79.01847	4.1
79.03722	1.4
81.03410	8.9
85.02894	4.4
91.75087	0.4
93.07047	0.4
96.03974	1.1
97.02897	5.6
97.04743	1.6
99.04435	1.2
100.85383	0.4
103.03905	1.8
107.01303	1.8
107.04952	0.5
109.02879	4.6
123.04379	0.7
125.02322	3.9
125.04213	0.6
127.03904	5.5
127.05772	0.8
137.05954	2.5
141.05446	13.8
141.07138	0.5
143.03372	5.8
145.04921	0.9
151.07544	0.4
153.01811	100.0
153.02866	4.7
154.02199	2.0
159.06355	0.6
161.05989	0.4
165.05478	2.4
167.07060	0.4
169.06834	3.5
169.08186	0.6
171.02867	9.9
173.07886	1.0
176.16248	0.4
177.05455	1.1
179.06949	0.7
183.06505	4.0
185.06262	0.6
187.07904	1.9
191.08896	1.2
195.02896	0.7
203.07098	1.2
203.08905	1.1
207.06474	2.0
213.03986	0.5
218.11340	1.4
219.12010	1.5
221.09923	1.2
222.10686	0.5
228.97957	0.9
231.06499	4.2
236.12224	0.9
237.03662	0.4
237.13091	1.1
243.10455	2.4
249.07469	2.0
255.05083	2.4
261.13165	0.8
263.14771	0.8
267.08795	0.5
293.15796	0.7
297.02988	0.4
297.06003	8.0
298.06467	0.4
315.07095	2.7
341.06567	0.6
409.99475	0.6
424.19244	0.6
425.20129	0.7
432.01138	0.5
433.00674	0.6
455.14923	1.9
455.20926	23.6
456.21512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1312
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
52.03785	1.1
56.96556	2.3
72.99107	1.1
79.23860	1.2
81.78300	1.2
93.07040	1.5
96.79341	1.2
98.97575	7.7
110.97575	2.2
112.99065	1.4
116.98657	1.6
128.98567	1.8
153.01851	1.7
158.99707	1.6
161.01292	1.7
179.03864	2.5
214.77924	1.3
219.01796	4.3
221.04822	2.4
237.02829	7.1
263.63773	1.2
274.24026	1.3
323.07867	7.6
341.08957	5.9
371.56744	1.3
455.12988	100.0
455.22516	33.7
456.13245	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	455.1522
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
54.02068	0.4
69.60548	0.8
69.60919	0.8
70.06603	0.9
83.01083	0.8
84.01904	0.6
95.01060	1.2
96.01852	0.7
98.22851	1.3
98.69209	0.4
112.01396	0.5
113.02123	1.8
153.01813	0.9
185.04230	2.4
194.70476	0.5
201.03618	0.4
203.05307	0.5
212.47491	0.4
218.05466	1.7
240.46306	0.5
271.56387	0.4
293.09805	0.9
363.56418	0.5
455.15186	100.0
456.15509	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03246	1.7
54.46489	1.9
57.20347	1.9
58.85555	1.9
78.72881	1.7
89.58978	1.9
90.34899	1.7
91.75461	1.7
97.46255	1.8
104.72587	2.0
105.85471	2.1
121.10220	2.0
138.94255	1.9
193.08539	2.4
201.05206	5.3
216.07558	49.3
217.08232	5.5
255.76886	1.9
261.07135	2.0
271.09305	2.2
431.05920	2.1
455.16727	100.0
456.17093	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	455.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
58.40409	0.7
61.69218	0.7
67.05518	0.8
81.07031	1.1
83.05035	0.8
91.05475	0.9
95.08645	1.1
105.07011	1.0
109.10174	0.7
119.08526	0.8
133.10129	0.8
182.62584	0.8
201.03677	1.6
207.13562	1.4
227.05055	1.0
233.51915	0.7
243.04735	6.6
287.03711	28.9
369.18686	4.5
411.19858	32.3
412.19891	1.5
455.18765	100.0
456.19415	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	455.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.0
55.05508	7.4
57.07058	2.1
66.89095	0.7
67.05506	4.6
69.03408	2.1
69.07073	4.5
70.08642	0.8
71.04967	1.9
79.05480	3.6
81.03401	1.9
81.07053	8.4
83.04984	9.1
83.08605	2.6
85.02902	4.9
85.06512	1.0
91.05476	3.8
93.07027	5.9
95.04956	2.1
95.08603	7.9
97.02873	1.5
97.06522	1.9
97.10122	1.0
99.04477	1.1
100.11282	4.5
101.11562	0.8
105.07046	5.1
107.08585	8.9
108.27657	0.8
109.02879	0.8
109.06510	2.1
109.10162	10.6
111.04462	1.5
111.08042	1.6
112.07625	1.0
117.07024	0.9
119.08582	6.1
121.10143	4.4
123.08041	2.7
123.11669	2.7
125.09573	1.2
127.03848	1.7
128.07155	1.0
128.10678	3.0
128.68375	0.8
129.06944	0.8
131.08568	1.5
133.10115	3.6
135.08035	1.1
135.11668	8.0
137.09567	1.4
137.13239	1.4
139.11156	0.9
143.08542	1.3
145.10081	2.8
147.08047	1.0
147.11655	2.0
149.09531	1.6
149.13237	1.5
151.11143	1.0
156.10190	1.5
156.13809	2.1
157.10158	2.4
159.08028	0.8
159.11646	1.6
161.09555	1.1
161.13266	1.2
163.11180	0.9
163.14821	0.9
165.09108	1.6
169.10059	0.8
171.07957	1.3
172.08376	0.8
173.13303	1.2
174.09033	1.1
175.14783	3.2
176.10756	1.2
181.10185	0.9
182.15390	2.6
184.13266	1.7
185.04167	1.2
191.14339	1.0
193.15868	3.9
207.13550	1.7
209.13280	1.7
210.14853	0.9
211.15010	1.0
211.16931	2.8
217.12315	0.8
227.09012	1.1
235.13081	1.0
245.06288	1.2
248.16284	0.9
249.16818	1.3
267.17493	1.2
275.20016	1.0
285.09195	0.9
285.18634	1.0
289.05249	1.5
293.15741	2.2
369.18903	7.9
393.18875	1.6
411.19858	32.8
412.20169	1.8
419.29492	1.2
437.17569	1.0
437.30356	2.6
454.34497	2.2
455.18250	100.0
455.31244	6.4
456.19141	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99073	0.9
53.03183	0.9
55.05495	1.6
60.17070	1.0
64.04076	0.8
65.03895	1.1
67.05475	4.2
69.03402	1.2
69.07057	1.9
71.04973	0.9
79.05470	1.8
81.03388	3.4
81.07040	4.5
83.04939	1.3
83.08595	1.3
85.02907	0.9
85.06504	1.1
88.05875	0.9
91.05448	2.4
93.07024	3.3
95.08591	3.9
97.02896	1.1
105.06993	4.2
106.86405	0.9
107.08576	3.1
109.06491	1.8
109.10129	3.5
119.08551	2.9
121.10108	2.9
123.11635	2.4
129.07025	1.2
131.08539	1.8
133.10078	2.7
137.13220	1.8
145.10094	2.0
147.11577	1.2
149.13474	0.9
155.08549	1.0
157.10091	2.0
161.09616	1.2
163.11139	1.6
169.10075	1.6
171.11627	1.2
194.65137	1.0
212.53101	0.9
230.35022	0.9
293.17197	45.2
294.17358	2.0
327.12241	1.3
384.39145	1.0
403.79013	1.1
419.29019	1.1
437.30316	2.2
455.20871	100.0
455.31946	3.5
456.21130	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	455.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91119	0.8
55.05505	1.8
67.05501	1.1
69.03424	1.3
69.07055	1.1
70.56725	1.2
79.05472	1.5
81.03394	1.3
81.07038	2.9
83.08618	1.2
85.02890	0.9
91.05453	1.4
93.07034	5.2
95.04964	0.9
95.08588	3.1
97.06522	1.1
98.97601	0.8
105.07011	2.2
107.08585	2.1
109.10145	1.4
113.18294	0.9
119.08562	1.6
121.10137	3.6
123.08080	1.5
125.09635	0.8
127.03922	8.0
131.08543	1.8
145.10089	1.5
147.11688	1.1
149.09622	1.5
149.13223	0.8
157.90495	0.8
173.13216	1.4
199.14638	0.8
228.12871	0.8
245.06282	1.0
303.10696	0.9
311.20029	0.9
329.21051	1.2
391.61288	0.9
392.26175	1.0
434.01846	0.9
437.30292	1.8
455.20364	100.0
455.31320	4.0
455.90594	0.9
456.20697	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	455.2167
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
55.05494	6.4
58.95107	3.9
67.05495	22.5
69.07042	6.7
69.83044	4.0
70.30658	8.7
76.21494	3.7
79.05475	11.2
81.07047	16.3
83.78877	3.6
91.05487	6.2
92.54463	3.3
93.07040	12.1
94.20808	3.5
95.08614	17.9
98.23338	5.3
105.07025	4.6
107.08602	4.0
109.10199	5.1
120.96651	22.6
121.10096	7.3
125.61280	4.9
133.10081	4.2
163.38226	4.0
174.59857	3.7
195.00249	10.2
205.14915	3.9
225.00543	3.6
266.33783	3.5
271.16711	3.4
335.25797	32.3
357.23935	9.8
368.35748	4.4
419.46225	4.4
437.20816	6.9
441.07971	4.1
455.21680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55623	0.5
69.26797	1.9
69.27199	1.2
78.80306	0.5
81.06953	0.7
81.53749	0.5
85.01863	0.5
98.22690	0.9
98.23369	1.5
100.11176	0.8
159.28972	0.5
159.54590	0.5
163.02347	0.5
185.04135	1.2
200.22713	0.5
218.53627	0.5
218.76445	0.5
268.38171	0.5
275.16034	0.6
293.17191	100.0
294.17490	4.3
455.22498	96.9
456.22858	7.3
470.11609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.4
55.05502	10.1
57.03412	2.0
57.07057	2.8
59.04995	2.3
61.79464	2.2
67.05502	21.8
69.07059	25.2
69.61372	2.1
71.04984	3.8
79.05482	10.7
81.07049	21.6
81.54185	3.0
81.92339	2.0
83.08605	7.1
86.09727	2.2
91.05490	17.2
93.01818	1.8
93.07053	20.4
95.04940	4.0
95.08596	32.7
96.26165	2.0
97.06497	3.4
97.10147	3.7
99.08060	3.0
100.11248	9.8
105.07021	24.6
107.04927	3.4
107.08595	23.2
109.06504	8.0
109.10147	36.4
111.08101	2.5
111.11711	2.9
117.07008	8.1
119.04916	3.0
119.08586	19.1
120.08900	1.9
121.06480	9.0
121.10145	13.1
123.08034	3.9
123.11720	5.8
128.06215	3.5
129.06966	5.7
131.08562	20.1
133.10103	13.2
135.08047	6.0
135.11691	12.7
137.05936	3.2
137.13258	9.2
141.06949	3.6
142.07703	3.7
143.08580	14.3
144.09325	2.6
145.10110	23.0
147.08018	11.4
147.11664	9.1
149.05881	2.2
149.13248	4.2
153.12695	5.5
155.08548	8.2
155.14288	9.5
156.09286	2.7
156.13823	7.1
157.10118	12.5
158.07234	3.4
159.08018	5.7
159.11664	10.5
161.09593	11.0
161.13297	5.5
163.07584	2.3
163.11282	2.0
164.58536	2.5
165.06972	3.2
166.07674	2.2
169.10095	8.2
170.10974	2.3
171.08069	6.8
171.11655	7.7
173.09627	23.9
173.13231	9.5
175.14833	5.0
177.09006	2.3
181.09953	4.8
182.15381	3.2
183.11681	6.9
184.08900	2.0
184.12460	2.2
185.09618	4.9
185.13232	8.2
187.11160	5.3
187.14740	7.3
189.09085	6.9
189.16301	2.4
191.10582	15.5
193.10179	3.1
195.11717	5.2
196.12503	2.3
197.09570	5.2
197.13254	9.4
199.11183	5.9
199.14807	8.4
201.12799	2.7
201.16376	2.9
203.17986	2.3
207.11725	3.9
209.09592	4.0
209.11549	4.9
209.13332	6.6
211.11156	4.0
211.14813	3.7
213.12720	8.0
215.14331	2.8
221.13211	4.8
221.36610	2.3
223.11168	4.1
223.14842	4.3
225.12645	4.4
227.14230	3.8
229.12233	2.8
231.13826	5.8
232.12390	2.3
235.14600	4.2
237.12738	3.8
239.14236	5.5
239.17836	2.4
243.13867	2.8
245.15445	3.2
247.14761	2.9
249.14818	4.0
251.14284	4.1
257.15256	2.9
265.15768	4.6
267.17355	2.9
281.15555	2.0
281.18958	3.1
283.16879	14.1
283.20056	5.6
284.17746	2.9
285.18652	3.5
287.16403	3.4
297.18390	3.6
301.17950	65.6
302.18637	10.8
311.19943	6.4
313.17792	3.2
315.19449	8.8
328.20117	2.9
329.21112	4.9
337.21558	3.5
341.20908	4.1
355.22565	18.2
377.28531	3.0
393.27841	4.9
395.29309	6.5
411.28976	28.7
412.29187	3.0
413.30536	17.0
419.29227	6.6
437.30444	25.3
440.29080	3.4
455.31400	100.0
456.31976	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03949	3.7
55.05505	15.9
57.07068	11.3
67.05492	24.7
69.07070	21.1
79.05490	17.3
81.07050	44.2
83.08617	11.7
84.74050	3.1
91.05485	24.5
91.72667	4.0
93.07027	54.1
95.04958	7.6
95.08595	82.6
97.06554	6.3
97.10127	9.4
105.07025	46.2
107.08587	100.0
109.10132	51.9
110.18035	3.4
111.08080	3.6
117.07018	9.2
119.08572	96.6
121.10135	62.2
121.42120	4.4
123.11720	16.6
131.08559	25.8
133.10103	63.0
135.11688	51.2
137.13252	7.9
143.08495	6.5
145.10115	39.2
147.11676	45.4
149.13260	31.6
151.07532	5.5
153.09103	6.1
156.09395	3.9
157.10072	9.8
159.11685	38.1
161.13251	35.0
161.14441	6.5
163.14798	28.5
165.12726	7.1
166.94246	3.7
171.11664	12.1
173.09705	4.2
173.13232	31.3
174.88550	3.8
175.14807	18.3
177.09119	8.2
177.16347	19.2
179.14307	14.6
185.13243	9.5
187.14810	26.0
189.16379	75.6
190.16664	4.4
191.17934	14.3
199.14865	8.3
201.16364	58.2
202.16599	4.7
203.17937	64.0
205.19438	6.3
207.13913	5.3
207.17387	15.2
213.16385	5.6
215.17955	22.6
217.19458	8.2
221.19077	11.9
227.17908	6.4
229.19472	26.3
231.21283	5.0
233.15318	4.6
235.16933	13.6
241.19521	9.6
243.21098	18.1
247.16931	46.5
249.18367	8.3
255.21025	9.2
261.18521	9.7
269.22684	8.9
275.20050	6.1
287.20084	10.7
289.21634	11.0
295.24158	5.8
301.21524	11.0
303.23486	6.8
315.23111	7.8
391.33417	11.6
409.34674	37.9
419.32947	5.2
437.34149	54.6
455.35257	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
55.05499	23.6
57.07055	5.5
65.03919	4.2
65.18087	5.0
67.05499	36.2
69.07063	33.5
69.21465	19.3
69.84987	3.8
71.04981	4.4
74.79117	3.3
79.05491	31.0
81.07050	100.0
81.07499	6.4
83.04983	4.6
83.08617	11.0
85.06567	4.3
91.05482	26.2
93.07041	55.1
94.83794	3.2
95.04984	10.4
95.08600	87.5
96.62227	4.0
97.06532	9.4
97.10170	12.7
98.23549	7.7
99.08083	5.9
102.21368	3.4
103.77209	3.5
105.07028	72.9
107.08588	76.1
107.98892	3.8
109.06488	8.3
109.10151	69.0
111.08060	8.7
111.11753	4.6
117.07007	12.8
119.08569	81.8
121.06554	3.9
121.10129	61.1
123.08080	6.8
123.11707	45.7
125.09635	5.4
129.07027	5.0
131.08531	28.8
133.06493	6.2
133.10117	52.2
135.08069	12.3
135.11668	50.9
136.11964	4.1
137.13258	13.4
142.07689	4.6
143.08537	21.5
145.10123	40.4
147.08025	23.0
147.11681	26.4
149.09599	4.9
149.13249	27.5
155.08517	6.4
156.09340	9.0
157.10118	27.6
158.10861	4.5
159.11679	43.9
161.09650	7.0
161.13225	24.7
163.11188	4.9
163.14822	26.3
167.08728	4.3
168.09380	4.9
169.10097	22.9
170.10936	4.1
171.11678	40.8
173.09665	3.4
173.11917	5.4
173.13202	25.9
175.11162	9.7
175.14905	19.1
177.16373	11.7
179.14349	3.8
183.11691	10.1
185.13208	23.3
187.11179	5.4
187.14790	27.6
189.12793	7.9
189.16420	19.9
191.17937	31.2
193.12297	4.4
195.11710	5.7
197.13286	21.1
199.14853	11.6
200.15459	3.4
201.12766	8.1
201.16402	20.6
203.14204	7.7
203.17929	16.7
207.17393	5.2
209.13271	6.0
209.70132	3.1
211.14821	10.2
213.12738	12.7
213.16426	12.3
215.14333	16.0
217.15837	7.9
217.19519	6.1
219.21091	9.8
227.18082	4.1
229.15855	12.0
229.19450	5.2
233.15395	9.5
239.17816	4.7
241.19505	7.8
253.19603	4.5
254.61577	3.7
339.26773	6.7
353.40530	3.8
355.26324	9.0
393.31674	5.5
409.34259	5.7
411.32538	10.4
419.33124	28.6
437.34085	53.8
455.35168	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	456.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.01877	0.7
55.05500	1.0
57.03434	0.9
57.39397	0.6
60.33477	0.6
67.05490	2.0
69.03425	3.3
69.07069	0.8
79.05479	1.0
81.03394	1.6
81.07039	1.8
85.02895	6.5
87.00806	1.9
91.05484	2.2
95.04985	0.7
95.08616	1.1
97.02882	2.3
99.04428	1.1
105.01855	4.5
105.06997	2.0
107.08537	1.1
109.02876	2.2
109.10141	2.1
115.03880	0.7
117.07053	0.8
119.08586	4.6
123.07995	0.7
127.03892	2.7
128.06244	0.8
129.06960	2.1
131.08568	9.2
133.04930	0.6
133.10123	2.5
143.08559	12.2
143.09656	1.2
144.09383	1.8
145.04904	1.1
145.10115	5.9
158.10901	24.5
159.11281	0.8
171.11661	2.3
173.13245	100.0
174.13606	5.5
215.14397	1.0
456.25931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.3
57.07069	19.2
58.06583	1.3
59.87910	0.5
66.97293	0.6
67.05511	3.5
69.07068	3.4
69.39760	2.7
70.06585	18.2
70.61187	0.6
71.08624	11.4
72.27306	0.5
73.02901	2.4
81.07021	3.5
83.08605	3.2
85.10181	4.6
88.07622	27.0
95.08593	4.6
97.10156	1.6
102.09167	18.6
106.08659	0.6
109.10127	1.8
123.11653	0.8
124.93701	0.7
131.51237	0.6
156.17516	1.0
162.44849	0.6
183.13129	0.6
197.08194	0.9
200.20074	67.6
201.20450	1.7
218.21111	5.7
227.20067	0.6
255.22993	0.5
283.26282	68.0
284.26630	2.8
438.20798	1.7
456.44061	100.0
457.44394	8.8
464.96851	0.5
467.95929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92570	2.1
64.85014	2.1
69.64495	4.4
69.64881	5.4
73.89756	2.1
82.47244	2.4
88.53065	2.2
98.97563	2.9
112.46386	2.8
173.44258	2.0
198.89368	2.3
215.30502	2.2
342.25461	2.4
377.55878	2.7
413.08447	14.4
457.07315	100.0
457.13657	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	457.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12624	2.7
69.47459	9.0
69.47867	5.5
74.45010	2.2
79.65208	2.4
80.80257	2.9
81.62421	2.3
83.47668	2.7
98.97598	5.0
110.97585	3.9
116.98587	3.3
118.98230	2.5
128.98537	3.8
189.28951	3.0
219.01717	3.9
230.00961	3.6
237.02849	5.3
287.04343	5.8
295.01495	2.9
362.59686	2.8
371.06561	4.5
389.07593	6.7
413.08401	10.2
421.95560	3.2
457.07254	100.0
457.13184	40.4
458.07407	6.2
478.64902	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53532	3.2
99.65233	1.4
108.10345	1.1
121.14416	1.3
141.95284	1.5
153.01849	3.1
188.55368	1.6
239.05919	2.3
242.04572	2.0
257.06885	2.9
270.70645	1.4
287.59396	1.3
295.08484	1.8
313.09686	1.8
457.14682	100.0
458.14960	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	457.1676
Annotation	Asp Ala His Asp
Peak:m/z	Relative Intensity
56.96569	0.8
61.43060	0.6
65.24532	0.6
66.85607	0.5
69.89906	1.5
69.90231	0.6
76.77222	0.6
94.24673	0.7
95.01091	1.1
98.22757	1.2
113.02142	1.8
134.99683	0.7
175.03680	2.4
178.31674	0.7
184.79721	0.6
185.04257	2.4
202.13159	0.6
203.05342	0.8
206.87161	0.6
207.01807	0.6
212.15051	0.6
220.07114	0.7
237.02803	0.8
295.11551	0.8
383.13184	0.8
457.16818	100.0
458.17062	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	457.1852
Annotation	Kushenol G
Peak:m/z	Relative Intensity
55.01865	2.1
55.05505	2.6
56.05834	1.3
59.04973	1.7
59.10241	1.1
67.05488	2.0
69.03407	4.8
69.07051	1.8
69.57944	1.6
69.58315	4.0
71.01348	2.4
71.04977	1.3
73.02901	1.3
79.01857	2.0
79.05457	2.9
81.03407	8.7
81.07050	3.0
83.04976	2.0
83.08600	1.3
83.42104	1.0
85.02883	2.2
91.05477	8.1
91.05976	1.3
93.07012	1.7
94.04177	3.2
95.04945	2.4
95.08551	1.5
97.02254	2.4
97.02883	45.4
97.06516	1.8
100.11242	11.1
101.04250	1.1
101.11591	5.6
103.05431	2.4
105.07017	4.7
107.04916	2.9
107.08594	2.5
109.02861	1.7
109.06502	3.4
111.04445	2.6
112.04714	1.4
115.05429	1.9
117.06973	3.3
119.04911	4.0
119.08569	7.1
121.06480	3.5
121.10138	2.3
122.02820	1.4
122.03601	5.9
123.08066	1.5
127.03886	2.0
128.06201	2.9
129.06990	4.0
130.78647	1.1
131.04898	3.4
131.08517	2.7
133.06476	1.4
135.08061	1.4
137.05963	100.0
138.06346	2.0
141.06966	1.7
143.03357	1.7
143.08592	2.6
145.06482	4.2
146.07173	1.5
147.04358	3.2
147.08038	3.9
149.05956	3.1
149.09573	2.1
151.03899	1.6
151.07530	13.9
153.01807	21.2
153.03038	1.2
154.02139	7.5
154.67006	1.4
157.06476	3.5
157.77809	1.3
159.07964	2.8
161.05972	22.6
161.09593	4.3
163.03885	2.9
163.07529	5.0
165.06929	1.8
165.09084	4.1
167.08521	1.8
169.06454	2.3
171.07932	3.3
173.09572	1.6
174.06747	2.6
175.07527	30.7
175.11108	1.9
176.08038	1.3
177.09067	4.0
179.08472	2.8
183.15665	1.6
184.16055	1.2
185.09581	1.4
187.07558	5.2
189.05472	1.6
189.09090	12.4
191.06956	1.8
191.08571	2.2
193.06705	1.4
193.08560	2.3
194.07253	1.3
195.08029	2.0
199.07506	5.3
201.09088	22.0
203.05260	2.0
203.07033	4.8
203.10515	1.5
204.09399	1.7
205.08614	5.2
207.08115	3.4
207.10158	14.0
208.08800	5.2
209.09586	2.1
210.06799	1.6
210.16663	1.9
211.07487	1.5
212.08336	2.0
213.09058	3.0
215.06891	1.4
215.10587	2.3
217.08540	2.5
218.07201	1.6
219.07983	3.4
219.10126	9.3
221.06024	1.7
221.09656	2.7
223.07513	1.4
224.08363	2.4
225.09029	3.3
229.08612	3.3
231.10112	17.9
232.10681	1.2
233.09540	3.5
235.07539	5.1
236.08295	4.3
237.09114	2.7
239.10727	3.2
241.08559	3.4
243.10120	2.1
245.09686	1.9
247.07573	2.9
249.08972	2.9
250.09839	1.4
251.10672	5.2
252.07817	1.8
253.08615	4.3
253.12181	2.1
255.10103	3.1
261.08990	2.4
263.10669	1.9
264.07907	1.6
265.08594	2.0
265.12183	3.7
267.10156	5.1
273.08966	2.5
277.17606	2.0
278.09390	2.5
279.10077	12.8
281.11795	2.5
285.11136	5.3
287.12799	4.6
289.08615	1.5
290.09201	2.2
291.09964	1.5
293.08585	1.6
293.11581	7.3
296.10416	2.4
297.11154	3.9
299.12747	16.3
303.12311	2.2
305.11694	3.6
307.09656	2.0
309.11081	1.8
310.11819	2.1
311.12720	13.9
313.14276	3.5
321.11072	1.7
323.12744	4.6
325.14236	11.3
329.13794	21.8
331.15353	5.6
333.13354	2.8
335.12750	1.4
337.14413	6.7
343.15485	5.8
353.13791	6.0
355.15375	16.6
371.15131	1.7
377.13608	1.6
409.16290	1.5
438.34103	4.1
439.17395	2.0
439.34201	3.1
456.35208	17.1
457.18701	6.1
457.24869	29.8
457.34863	9.1
458.24612	1.7
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
54.45369	2.3
55.05516	2.2
57.07065	2.1
66.73965	2.4
67.05481	3.9
69.03416	5.2
69.07078	2.0
79.05490	6.3
81.07031	6.1
83.04974	2.9
85.02879	3.9
87.00802	2.1
91.05463	4.7
93.07050	3.2
95.08614	3.3
100.45072	2.3
105.07030	5.2
107.04948	2.8
107.08589	15.2
109.06537	4.9
109.10133	5.9
121.06499	2.8
121.10148	8.8
122.07325	3.3
127.98147	2.2
131.08585	3.1
133.10120	100.0
135.08032	7.4
137.09604	47.4
149.13266	8.8
159.02870	3.5
160.76030	2.1
173.13290	5.0
191.14314	41.0
413.30429	4.3
457.23969	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	457.2405
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
67.05482	0.6
69.03429	0.8
70.61264	0.7
81.03447	0.4
81.07049	0.6
83.04942	0.4
85.02900	0.7
91.05482	0.7
93.07029	0.5
95.08598	0.7
97.02879	0.6
107.08566	0.6
114.95486	0.4
121.10131	0.7
123.08083	0.6
133.10104	0.8
144.08084	1.1
150.87959	0.4
153.01787	0.5
172.07587	0.7
177.52005	0.4
191.14290	0.9
201.03613	0.5
203.05260	3.8
209.11432	0.5
209.15309	0.6
218.08284	0.5
232.09518	0.7
251.28154	0.5
277.17648	3.9
278.10187	0.5
295.15375	1.0
295.18698	0.9
318.43732	0.5
369.18741	0.8
371.16837	0.6
387.19650	1.1
387.90060	0.6
413.17691	1.2
439.23270	1.2
457.24445	100.0
458.25037	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	457.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72153	0.5
65.96334	0.6
67.05499	0.8
70.34663	0.5
71.05005	1.6
71.21909	0.5
83.23618	0.6
87.58992	0.6
91.05511	1.1
93.07015	0.7
95.04922	0.7
95.08629	1.6
102.60655	0.6
107.08666	1.0
117.08867	0.6
121.06497	0.6
121.10156	0.6
138.03830	0.6
146.80931	0.6
159.11821	0.6
168.92706	0.6
173.09625	0.9
203.05258	46.2
207.13544	3.4
209.11662	0.7
277.17737	33.2
278.18253	1.0
279.19241	2.8
281.15237	0.8
299.16296	0.6
302.08176	0.6
439.28973	0.6
457.24222	100.0
458.24673	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	457.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01867	3.1
55.05513	10.2
57.03429	1.2
57.07057	2.9
59.04730	1.8
59.04995	18.8
60.05328	1.2
65.03946	2.7
65.09463	1.0
67.05498	23.8
68.55241	1.3
69.03426	6.5
69.07064	16.8
69.32903	5.8
71.04977	3.8
71.08610	1.8
79.01845	2.4
79.05479	12.5
81.03424	6.0
81.07049	24.4
83.04963	4.0
83.08616	4.4
85.02889	3.8
85.06527	2.3
91.05472	29.0
93.07037	22.7
95.04977	5.9
95.08015	2.6
95.08595	30.9
97.02877	3.9
97.06506	6.9
97.10157	3.9
99.08092	1.7
101.76894	1.1
103.05454	1.5
105.07023	20.7
107.04935	1.8
107.08573	19.0
109.02835	3.7
109.06511	5.9
109.10142	32.1
111.08071	6.8
111.11732	2.1
115.05447	1.2
115.11192	2.6
116.11592	1.5
117.07007	5.3
119.04913	4.5
119.08569	20.9
121.06505	10.6
121.10159	11.2
122.09660	1.5
123.04389	1.6
123.08034	7.5
123.11715	5.7
125.09599	9.4
127.03903	5.1
127.11218	1.8
128.06134	1.9
129.06996	4.8
130.82489	1.0
131.08548	13.5
133.06464	12.9
133.10091	10.6
135.08015	5.7
135.11646	3.8
137.05995	3.1
137.09592	2.9
137.13240	8.5
137.14139	1.6
139.07578	6.1
139.11255	1.4
141.06946	2.3
142.07761	2.8
143.08553	10.3
143.10654	3.5
145.04910	1.6
145.06477	4.1
145.10106	14.1
147.08012	11.1
147.11691	5.7
149.09631	3.7
149.13234	6.0
153.01819	48.8
153.02925	2.3
153.12779	2.4
155.08499	6.1
157.10114	20.8
158.07205	1.7
159.08038	7.4
159.11661	7.4
161.09578	9.9
161.13243	2.9
163.11116	8.5
165.09077	4.0
167.08566	3.0
167.14285	3.1
169.10104	4.0
171.02831	6.0
171.08069	5.8
171.11678	9.3
173.09625	18.2
173.13258	5.2
174.10257	2.4
175.11165	52.9
179.08492	1.8
181.10150	5.7
182.10930	1.5
183.11678	10.1
185.09601	5.7
185.13228	4.8
187.07553	1.3
187.11195	5.1
187.14758	2.2
189.09058	8.7
189.12752	4.0
191.10663	5.0
191.16460	2.9
192.16760	3.0
193.10124	2.2
195.11710	4.0
197.09518	1.9
197.13257	5.3
199.11145	8.4
199.14807	6.1
201.12711	20.4
202.12990	1.8
203.14133	1.6
207.11719	1.9
208.12422	2.3
209.09673	2.3
209.13245	3.3
211.11142	4.3
211.14796	3.4
212.12054	1.4
213.12689	4.3
213.16292	2.6
215.14348	2.5
223.11081	2.6
223.14833	8.0
225.12688	4.4
225.16333	2.2
227.14378	5.9
229.15892	1.8
233.04596	1.5
235.11014	1.9
235.14815	2.8
237.12808	1.7
237.16341	2.6
239.14288	5.5
239.17812	2.3
241.15875	11.8
242.16251	1.3
243.13905	2.1
245.15359	4.3
249.16425	1.9
250.58299	1.5
251.14392	1.5
253.15910	3.3
255.17401	3.0
259.16931	11.9
263.14120	2.0
265.15808	3.7
267.17380	4.0
269.18793	1.8
271.16876	2.7
281.18652	1.4
283.16837	5.7
285.18381	6.6
286.19244	4.6
287.16415	2.1
297.05978	2.6
297.14435	1.6
301.17972	6.1
307.16693	2.0
313.21539	2.7
315.06940	2.1
325.21570	1.8
331.22919	1.4
335.09286	7.9
337.25238	1.9
339.23303	6.3
341.21176	1.6
345.20627	1.6
353.10257	1.9
355.22537	2.5
355.26559	1.4
363.19202	2.0
369.24210	1.7
370.15244	1.7
377.28320	2.6
377.63611	1.4
395.29367	20.2
397.31195	1.6
403.22476	2.2
413.30426	100.0
414.30743	9.5
421.23636	7.0
421.31226	6.6
439.24756	16.9
439.31927	36.0
440.32108	3.9
457.23956	55.5
457.32956	16.9
458.24802	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	27.9
57.07064	6.8
59.04989	2.1
59.87464	1.6
63.01506	2.0
63.55322	1.9
67.05499	16.1
69.07059	29.7
70.02660	4.2
71.04967	3.0
71.08623	5.5
72.81260	1.6
73.39766	1.6
79.05486	13.2
80.06087	1.7
80.53720	1.6
81.07052	34.7
81.07529	1.6
81.98756	1.5
83.04962	3.7
83.08607	17.2
91.05465	14.0
93.07028	26.2
95.04955	5.3
95.08588	36.8
97.06507	4.2
97.10152	17.5
98.23444	2.0
105.04498	1.8
105.07014	26.7
107.04932	2.1
107.08579	31.2
109.06522	8.5
109.10147	23.3
111.08092	4.6
111.11718	2.0
114.12403	1.8
116.93802	1.7
117.07004	5.8
119.04914	2.7
119.08575	22.4
120.88806	1.6
121.06493	7.3
121.10123	29.0
123.08039	11.1
123.11699	7.3
125.09644	1.9
128.06172	2.4
129.06961	2.4
131.08530	12.0
133.10115	19.1
135.08049	5.8
135.11681	14.7
137.05937	6.1
137.09593	4.8
137.13239	18.0
141.06903	2.9
142.07806	2.1
143.08510	10.5
145.06435	3.3
145.10120	21.1
147.08043	8.8
147.11658	11.7
149.09584	2.4
149.13287	4.6
151.11166	5.1
155.08539	6.7
155.14291	2.8
156.09296	3.0
157.10141	12.8
159.08031	5.5
159.11713	12.5
160.08717	2.1
161.09645	10.8
161.13243	7.6
163.11174	2.8
163.14799	5.4
169.10089	7.9
171.08064	6.6
171.11723	9.1
173.09590	19.2
173.13240	7.4
175.11163	5.7
177.16420	4.2
179.08542	2.5
181.10120	4.8
183.11676	5.5
185.09651	2.4
185.13145	8.4
187.11104	8.3
187.14813	3.1
189.09090	4.9
189.12706	2.6
189.16379	23.2
191.10669	7.2
195.11653	5.9
197.09703	2.7
197.13232	7.4
198.10318	1.8
199.11148	6.7
199.14825	10.0
201.12549	3.7
203.10616	2.0
205.19379	2.1
207.11737	4.6
207.17441	15.5
208.58675	1.9
209.13295	3.1
211.11215	3.8
211.14711	2.6
213.12695	14.1
215.14328	14.2
221.13255	2.2
225.12625	4.3
227.14282	5.9
231.13757	14.4
233.15234	11.5
234.13902	2.1
235.14728	4.2
237.16376	2.3
239.14278	3.4
245.15416	2.9
249.14897	8.0
261.14673	4.3
265.15942	4.8
267.17538	2.0
279.15948	8.0
281.18951	4.4
283.16946	8.0
301.17947	44.8
302.18564	5.0
319.20410	3.1
328.20178	2.7
337.21539	13.8
341.21149	8.8
355.22607	31.6
356.23074	3.7
421.31116	4.7
424.29712	4.1
439.32043	33.0
440.32523	2.2
457.33063	100.0
458.33435	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	457.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01867	3.1
55.05513	10.2
57.03429	1.2
57.07057	2.9
59.04730	1.8
59.04995	18.8
60.05328	1.2
65.03946	2.7
65.09463	1.0
67.05498	23.8
68.55241	1.3
69.03426	6.5
69.07064	16.8
69.32903	5.8
71.04977	3.8
71.08610	1.8
79.01845	2.4
79.05479	12.5
81.03424	6.0
81.07049	24.4
83.04963	4.0
83.08616	4.4
85.02889	3.8
85.06527	2.3
91.05472	29.0
93.07037	22.7
95.04977	5.9
95.08015	2.6
95.08595	30.9
97.02877	3.9
97.06506	6.9
97.10157	3.9
99.08092	1.7
101.76894	1.1
103.05454	1.5
105.07023	20.7
107.04935	1.8
107.08573	19.0
109.02835	3.7
109.06511	5.9
109.10142	32.1
111.08071	6.8
111.11732	2.1
115.05447	1.2
115.11192	2.6
116.11592	1.5
117.07007	5.3
119.04913	4.5
119.08569	20.9
121.06505	10.6
121.10159	11.2
122.09660	1.5
123.04389	1.6
123.08034	7.5
123.11715	5.7
125.09599	9.4
127.03903	5.1
127.11218	1.8
128.06134	1.9
129.06996	4.8
130.82489	1.0
131.08548	13.5
133.06464	12.9
133.10091	10.6
135.08015	5.7
135.11646	3.8
137.05995	3.1
137.09592	2.9
137.13240	8.5
137.14139	1.6
139.07578	6.1
139.11255	1.4
141.06946	2.3
142.07761	2.8
143.08553	10.3
143.10654	3.5
145.04910	1.6
145.06477	4.1
145.10106	14.1
147.08012	11.1
147.11691	5.7
149.09631	3.7
149.13234	6.0
153.01819	48.8
153.02925	2.3
153.12779	2.4
155.08499	6.1
157.10114	20.8
158.07205	1.7
159.08038	7.4
159.11661	7.4
161.09578	9.9
161.13243	2.9
163.11116	8.5
165.09077	4.0
167.08566	3.0
167.14285	3.1
169.10104	4.0
171.02831	6.0
171.08069	5.8
171.11678	9.3
173.09625	18.2
173.13258	5.2
174.10257	2.4
175.11165	52.9
179.08492	1.8
181.10150	5.7
182.10930	1.5
183.11678	10.1
185.09601	5.7
185.13228	4.8
187.07553	1.3
187.11195	5.1
187.14758	2.2
189.09058	8.7
189.12752	4.0
191.10663	5.0
191.16460	2.9
192.16760	3.0
193.10124	2.2
195.11710	4.0
197.09518	1.9
197.13257	5.3
199.11145	8.4
199.14807	6.1
201.12711	20.4
202.12990	1.8
203.14133	1.6
207.11719	1.9
208.12422	2.3
209.09673	2.3
209.13245	3.3
211.11142	4.3
211.14796	3.4
212.12054	1.4
213.12689	4.3
213.16292	2.6
215.14348	2.5
223.11081	2.6
223.14833	8.0
225.12688	4.4
225.16333	2.2
227.14378	5.9
229.15892	1.8
233.04596	1.5
235.11014	1.9
235.14815	2.8
237.12808	1.7
237.16341	2.6
239.14288	5.5
239.17812	2.3
241.15875	11.8
242.16251	1.3
243.13905	2.1
245.15359	4.3
249.16425	1.9
250.58299	1.5
251.14392	1.5
253.15910	3.3
255.17401	3.0
259.16931	11.9
263.14120	2.0
265.15808	3.7
267.17380	4.0
269.18793	1.8
271.16876	2.7
281.18652	1.4
283.16837	5.7
285.18381	6.6
286.19244	4.6
287.16415	2.1
297.05978	2.6
297.14435	1.6
301.17972	6.1
307.16693	2.0
313.21539	2.7
315.06940	2.1
325.21570	1.8
331.22919	1.4
335.09286	7.9
337.25238	1.9
339.23303	6.3
341.21176	1.6
345.20627	1.6
353.10257	1.9
355.22537	2.5
355.26559	1.4
363.19202	2.0
369.24210	1.7
370.15244	1.7
377.28320	2.6
377.63611	1.4
395.29367	20.2
397.31195	1.6
403.22476	2.2
413.30426	100.0
414.30743	9.5
421.23636	7.0
421.31226	6.6
439.24756	16.9
439.31927	36.0
440.32108	3.9
457.23956	55.5
457.32956	16.9
458.24802	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
51.42046	0.5
51.76016	0.4
52.77822	0.4
55.05509	2.2
56.41357	0.4
57.07086	0.7
67.05509	2.5
69.07073	3.3
79.05489	2.6
81.07043	6.8
83.04990	1.2
83.08622	0.7
91.05478	3.3
92.74995	0.6
93.07024	5.5
95.04967	1.0
95.08604	6.7
95.22952	0.5
97.06531	1.1
98.23498	1.3
105.07019	10.9
107.08586	7.0
109.06496	1.4
109.10155	3.1
110.87897	0.5
111.08099	0.6
117.07001	1.5
119.08566	8.0
121.06528	1.4
121.10136	6.3
123.08070	1.2
123.11686	1.6
127.38342	0.6
128.06282	0.7
129.07018	1.4
130.80913	0.5
131.08568	5.8
133.10130	6.0
135.08052	1.6
135.11711	2.2
137.09633	1.1
141.07019	0.6
143.08562	2.4
144.09308	0.7
145.10115	6.1
147.08072	1.5
147.11685	4.9
149.09628	2.0
149.13243	1.9
157.10091	3.4
159.07971	0.6
159.11662	3.9
161.09644	2.3
161.13193	2.8
163.11143	0.7
163.14798	5.0
169.10133	1.0
171.11714	3.6
173.09587	1.1
173.13280	4.5
175.11174	1.3
175.14783	6.5
177.16396	1.8
183.11703	0.7
185.13312	1.8
187.11211	0.9
187.14853	5.2
189.12735	4.6
189.14456	0.6
189.16406	2.1
191.14311	2.2
197.13260	0.8
199.11191	0.6
199.14851	2.2
201.16347	0.9
203.14314	1.2
205.15915	2.4
206.05713	0.8
209.13342	0.6
209.15247	0.6
211.14946	0.8
213.12900	0.6
213.16399	1.5
215.14330	1.5
217.15913	2.6
225.16364	0.8
227.14523	0.6
227.17989	1.4
229.15968	0.6
229.19514	1.0
231.17430	1.9
243.17456	1.1
243.21034	1.3
253.19617	0.7
255.17525	0.8
257.18979	0.7
261.70465	0.6
271.20389	0.8
295.20709	0.5
363.26752	1.0
385.09009	0.9
391.29944	1.8
403.29907	2.2
421.30862	4.2
439.32028	3.3
457.33072	100.0
457.80865	0.6
458.33371	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	458.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
51.78554	0.3
53.03931	0.8
56.45409	0.3
57.03430	0.4
58.19320	0.3
59.39937	0.3
69.03413	2.1
70.72079	0.8
71.05014	0.4
71.50564	0.3
78.03461	0.5
79.01850	2.8
80.05003	0.4
81.03402	5.8
85.02889	2.9
90.03436	0.9
93.80408	0.3
97.02879	4.1
99.00008	0.9
99.04482	0.5
102.68902	0.3
107.01299	1.1
109.02871	4.2
125.02293	2.0
126.01060	11.2
126.05482	2.4
127.03900	4.6
143.03395	5.5
144.02100	58.9
145.02457	0.6
145.04916	1.1
147.04459	0.4
153.01813	100.0
153.02850	4.1
154.02151	2.2
171.02869	7.6
201.95761	0.3
203.05331	0.6
221.60938	0.3
240.21251	0.4
277.17773	0.5
288.06180	0.6
297.06024	8.9
306.07468	2.1
315.07019	3.6
316.07678	0.4
359.37735	0.3
415.19592	0.4
457.24332	6.2
458.24829	4.0
459.17728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41307	0.7
52.55043	0.8
53.03951	0.7
55.05503	1.8
57.07081	3.6
67.05503	3.1
69.03419	1.7
69.07072	2.3
70.04073	100.0
71.04406	0.7
79.05493	3.0
81.03407	5.5
81.07059	3.1
83.08623	1.4
85.02888	3.7
85.92512	0.7
86.58407	0.7
91.05494	2.2
93.07055	1.6
95.04991	1.5
95.08594	1.2
97.02907	2.6
98.23530	1.3
99.08086	14.4
105.07030	2.3
107.04961	1.0
107.08636	0.8
109.02876	3.8
109.10162	0.7
111.08017	0.9
117.09142	3.1
119.08575	0.8
119.81381	0.7
123.04424	1.0
125.09612	0.8
127.03897	5.5
129.06989	0.8
129.74159	0.7
131.05008	0.9
131.08479	0.7
131.18324	0.7
133.10133	1.4
143.08537	0.8
145.06531	1.4
149.98062	0.7
193.12329	1.7
195.10213	2.1
227.08246	4.3
243.12231	1.0
273.14957	1.0
367.22830	3.2
385.23746	2.0
459.27249	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	458.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12709	1.1
50.78852	1.0
53.03937	4.1
55.01865	3.0
55.05505	22.0
57.03437	2.7
58.98877	1.1
59.05000	5.9
65.03931	7.4
66.25993	1.0
67.05493	7.8
69.03424	32.7
69.07066	1.6
69.26633	4.1
69.27042	2.4
71.04996	1.5
75.52835	1.0
79.05495	2.4
81.03416	17.5
81.07037	1.4
81.13848	1.3
83.04974	100.0
84.05311	1.2
85.02898	26.4
85.06569	1.2
91.05508	3.1
93.03395	15.1
93.07051	3.3
95.04955	4.7
95.08595	2.2
96.84863	1.0
97.02885	27.4
97.06523	1.9
99.04448	6.0
100.11229	2.7
101.11575	2.6
105.07018	6.1
107.04958	1.1
107.08577	3.4
109.02871	14.2
109.06519	3.0
111.04430	51.8
112.04762	1.2
119.08617	2.1
119.14648	1.1
121.02850	16.3
121.06511	2.0
121.10141	1.3
123.08070	9.4
127.03907	23.9
129.07001	2.1
131.08578	2.4
133.10046	1.7
135.08020	2.0
135.27415	1.0
137.05963	3.6
139.03888	90.0
140.04225	2.0
143.08568	1.4
145.04948	10.7
145.10103	2.8
147.08049	2.1
149.09550	2.1
151.07581	1.1
153.01796	2.1
155.08569	1.9
157.04947	44.2
157.10069	2.4
158.05312	1.4
159.11732	1.5
161.09645	1.3
163.03955	1.4
163.11162	1.8
169.10088	1.3
171.08102	1.6
173.09634	3.8
175.11200	1.7
179.03336	1.4
180.41310	1.2
183.11742	1.6
185.09772	1.1
189.09024	1.5
191.10620	2.4
205.12256	1.3
213.12697	1.3
225.12753	2.3
231.13683	1.7
233.11555	1.6
249.14915	1.4
255.08513	7.2
261.11194	1.6
279.12320	4.6
283.08069	10.3
283.16891	2.7
301.09158	35.3
301.17963	2.5
302.09497	1.4
319.10187	66.6
320.10422	2.4
353.21194	1.1
358.79623	1.2
365.21021	1.3
371.22086	4.5
399.25198	3.5
401.23288	1.6
405.23935	2.0
423.25369	3.0
423.32849	1.4
441.26346	14.2
457.35373	4.5
458.24988	2.1
458.35266	8.2
459.17661	1.2
459.27020	18.2
459.35068	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	459.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	9.5
71.43557	3.6
86.06055	5.6
94.93005	8.2
98.97572	100.0
104.20543	3.2
106.88085	3.7
110.97574	20.3
112.89656	3.4
114.89316	8.6
116.89107	13.9
116.98617	44.3
128.98586	29.8
134.99655	13.2
146.99631	12.7
151.69725	3.2
158.99631	83.8
159.00954	4.6
170.99643	20.5
176.99246	4.7
177.00711	66.7
189.00691	36.8
194.01294	3.6
195.01698	7.9
201.00665	4.0
207.01729	18.0
219.01732	38.9
231.01707	10.4
237.02774	19.5
249.02856	27.2
255.03830	14.1
279.03860	99.3
297.04892	17.2
308.88544	6.2
309.04861	14.2
334.86209	4.1
339.05557	5.1
406.86118	4.4
432.83978	4.3
459.12793	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	459.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	9.5
71.43557	3.6
86.06055	5.6
94.93005	8.2
98.97572	100.0
104.20543	3.2
106.88085	3.7
110.97574	20.3
112.89656	3.4
114.89316	8.6
116.89107	13.9
116.98617	44.3
128.98586	29.8
134.99655	13.2
146.99631	12.7
151.69725	3.2
158.99631	83.8
159.00954	4.6
170.99643	20.5
176.99246	4.7
177.00711	66.7
189.00691	36.8
194.01294	3.6
195.01698	7.9
201.00665	4.0
207.01729	18.0
219.01732	38.9
231.01707	10.4
237.02774	19.5
249.02856	27.2
255.03830	14.1
279.03860	99.3
297.04892	17.2
308.88544	6.2
309.04861	14.2
334.86209	4.1
339.05557	5.1
406.86118	4.4
432.83978	4.3
459.12793	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	459.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	5.5
60.05632	2.4
66.95326	1.5
69.03401	2.5
70.06574	7.1
71.40938	1.5
81.03396	2.9
84.96025	2.4
85.02895	3.4
97.02870	3.0
98.97572	12.3
100.00117	3.4
101.00870	5.1
105.00434	1.8
109.02832	2.2
110.97559	3.2
113.00861	2.6
115.02426	2.2
115.03920	1.9
116.07101	1.7
116.98611	5.5
118.01123	9.1
119.01920	14.8
128.98573	3.8
131.01871	9.6
133.03519	3.0
134.99675	2.8
137.05949	35.1
139.02370	1.5
142.01138	5.2
143.01874	14.1
145.03445	6.3
147.04396	4.0
153.01804	8.8
155.01907	8.4
156.02660	5.1
157.03494	1.9
160.02159	8.0
161.01486	2.6
161.02928	20.3
168.02690	6.6
172.02129	3.0
173.02988	10.9
175.11867	5.4
177.00696	2.8
177.03934	2.5
178.01122	4.2
179.01909	2.7
181.03398	8.7
184.02148	3.0
185.02788	1.6
186.03687	2.8
193.03473	2.3
194.04320	3.0
195.05003	18.8
196.02184	12.8
197.02895	4.7
199.04437	2.2
203.03944	7.0
205.03433	2.7
207.04901	1.6
210.03714	2.7
211.00818	2.4
213.00955	1.7
213.06119	2.7
215.02214	2.2
216.98628	1.9
218.04274	3.6
219.01843	7.3
219.04993	27.6
221.03087	2.3
221.05064	14.8
222.03688	4.6
223.04614	7.7
224.05392	2.3
227.03908	2.1
231.05023	5.6
233.06517	2.7
235.04611	2.6
236.05331	3.7
237.02748	12.5
237.06052	26.8
238.06485	2.3
240.04782	4.5
242.95874	3.2
244.04250	100.0
245.04512	5.7
246.03778	6.4
247.04599	8.3
249.06041	6.8
250.06610	1.6
253.05519	5.4
258.99875	1.7
259.04474	7.0
260.05170	2.9
261.06024	19.6
262.05362	11.0
264.04807	18.0
265.05441	3.0
267.07150	2.9
272.05261	2.7
273.03046	1.9
273.05991	3.2
276.04797	2.5
277.05615	4.6
278.06308	2.6
279.07114	25.2
289.05170	2.4
290.06210	1.7
291.03949	3.6
291.07141	6.8
297.08115	8.5
298.07462	2.8
300.04617	3.9
303.07224	1.9
307.06512	18.0
309.08063	5.9
320.07220	2.7
321.08160	19.1
332.96695	2.2
333.08121	3.7
336.06723	6.8
339.05554	1.9
339.09695	4.8
348.06870	62.2
349.07349	8.9
351.04453	1.5
351.09515	4.1
363.05145	2.4
363.09265	29.6
364.09323	3.1
366.07889	7.9
381.10251	70.6
382.10464	4.6
398.99875	6.7
399.11365	54.1
400.11554	3.5
417.07034	3.7
417.12500	6.4
422.12402	2.4
459.13220	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90787	1.0
56.92523	1.1
69.03412	1.8
70.06577	1.7
81.03390	1.3
85.02923	1.5
91.05521	1.0
128.46936	1.1
133.00722	1.1
138.82635	0.9
144.04784	3.6
145.05058	1.6
146.51947	1.2
148.99474	1.2
153.01804	8.9
154.02206	1.4
165.02364	1.4
171.02850	1.5
172.24202	1.1
182.04950	11.2
195.13550	3.3
198.65646	1.1
201.03624	1.4
208.02866	13.5
211.13058	3.6
228.23344	1.2
243.04794	7.3
245.06412	2.0
287.03708	70.4
288.04160	2.7
289.05307	24.2
327.08679	4.5
415.19339	9.3
459.18359	100.0
460.18808	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33271	1.1
51.64146	1.1
53.17461	1.1
56.51719	1.1
69.10521	1.1
69.28865	1.3
69.29153	5.7
70.06576	1.2
71.32366	1.0
74.70506	1.2
79.01865	1.2
81.07041	1.7
86.09682	1.3
93.07042	2.2
97.02845	1.5
108.79306	1.0
129.73116	1.2
132.59094	1.1
134.04597	1.3
139.03883	12.2
151.03833	1.5
153.01816	15.8
153.02925	1.6
154.94075	1.1
163.03902	1.2
166.96463	1.0
175.96443	0.9
182.04941	8.5
195.13544	4.9
203.05295	1.4
208.02809	12.0
208.04425	1.2
235.15828	1.0
243.04869	5.0
245.06358	1.6
287.03705	63.4
288.04172	2.0
289.05246	20.8
294.08545	1.0
327.08664	4.9
333.07806	1.0
339.01144	1.5
379.00870	1.4
415.19211	9.9
459.18274	100.0
460.18704	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	459.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18314	0.4
55.01862	0.8
55.05510	2.5
57.03426	0.6
57.07045	0.5
58.49795	0.4
63.21121	0.4
65.03920	0.5
66.50520	0.4
67.05499	3.6
69.03430	0.5
69.07064	1.2
70.04070	0.6
70.17403	1.2
71.04980	0.4
74.95686	0.4
79.05491	3.4
81.03413	9.1
81.07051	3.3
83.04951	0.7
83.08619	2.6
85.02898	0.4
89.11240	0.4
91.05480	3.1
93.07035	2.7
95.04965	3.2
95.08594	2.0
97.02900	0.5
97.10167	1.0
105.07010	3.6
107.04957	1.5
107.08598	2.2
107.97268	0.4
109.06472	1.0
109.10145	2.8
111.08093	0.4
117.07030	0.7
119.08546	2.8
121.06476	1.1
121.10138	1.1
122.09602	0.4
123.08047	0.5
123.11636	0.4
125.09623	0.8
127.11191	1.1
129.07025	1.0
131.04959	0.5
131.08572	2.6
133.06467	0.7
133.10124	1.0
135.08075	0.6
142.03168	0.6
143.08583	0.8
145.06471	1.8
145.10162	1.4
147.08041	1.1
147.11700	1.3
149.09666	0.7
157.10146	1.4
163.11102	0.5
165.09068	0.5
171.08000	0.8
171.11658	0.6
173.09666	0.8
175.11198	1.0
185.13324	0.5
193.12233	4.1
203.05211	0.6
213.12675	0.5
249.14857	0.6
255.13870	1.0
273.14886	1.7
297.16745	5.1
298.17105	0.5
347.09399	0.5
349.21561	1.4
357.24414	0.6
367.22592	2.9
385.23553	2.5
403.24704	0.7
441.20865	3.3
441.26294	0.7
459.21921	100.0
459.27148	5.9
460.22333	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	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04136	1.1
53.03944	3.6
55.01864	2.8
55.05505	29.0
57.03426	3.8
57.07064	1.4
59.04989	4.1
67.05495	15.5
69.03414	15.4
69.07065	16.3
69.32010	5.0
71.04975	4.3
79.05496	9.5
81.03406	11.1
81.07053	25.1
83.04972	100.0
83.08614	1.7
85.02909	19.9
87.00806	8.4
91.05465	5.1
93.07042	14.6
95.04965	8.8
95.08601	18.9
97.02856	6.6
97.06520	3.6
98.23388	3.3
99.04455	6.8
99.08070	1.8
105.01862	5.3
105.07006	7.3
107.08592	12.4
109.02853	9.0
109.06506	10.2
109.10138	29.0
111.08083	4.0
113.06000	1.5
117.01844	1.7
119.08591	9.6
121.06474	1.8
121.10138	6.8
122.58833	1.2
123.08066	4.8
123.11712	3.8
125.05964	1.9
125.09629	4.9
127.03912	10.7
133.10117	11.2
135.08067	4.4
135.11693	18.0
137.05995	1.7
137.09605	54.9
137.13213	2.6
139.11180	1.9
143.08495	1.4
145.04977	4.4
147.11690	2.0
149.09634	1.4
151.11166	3.0
155.10649	11.9
159.02921	1.6
161.09550	1.4
167.06908	1.4
173.09680	1.8
175.14830	12.8
189.04033	2.0
193.15862	67.4
217.04759	1.6
231.05067	2.7
265.44788	1.4
331.10013	2.4
343.42801	1.5
344.18900	1.9
345.98346	1.4
415.19247	3.9
441.16296	1.8
441.26059	2.3
459.14017	8.2
459.19406	13.4
459.27423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.05493	9.2
55.70168	2.1
58.56923	2.0
59.04998	14.1
59.78203	1.9
67.05498	24.0
67.21780	1.8
69.03422	14.6
69.07066	11.2
70.74802	3.6
71.04985	4.1
79.05485	4.6
81.03407	4.3
81.07046	24.2
83.04971	9.2
83.08609	5.1
85.02874	10.1
85.06533	2.7
87.00821	3.0
91.05461	6.3
93.07030	18.6
95.04959	3.4
95.08597	35.4
95.69112	2.0
97.02895	3.1
97.06538	2.7
97.10181	2.4
99.08071	4.1
105.01830	2.0
105.06998	11.1
107.08589	23.7
109.02869	5.6
109.06530	12.6
109.10144	95.2
109.10894	4.8
110.10471	2.6
111.08065	3.3
117.07085	2.7
119.08565	47.6
121.06494	3.2
121.10137	15.8
123.08061	46.0
123.11693	7.2
125.09695	2.7
127.03931	6.0
128.06149	2.1
131.08554	4.0
133.06454	2.9
133.10130	21.9
135.10649	5.2
135.11682	100.0
136.12045	2.6
137.09612	13.1
143.08534	2.7
145.10123	10.3
147.08031	4.4
147.11746	3.2
149.09613	6.2
149.13242	7.0
151.11174	9.2
151.14810	11.9
155.08516	3.3
157.10120	2.7
161.09630	7.5
163.11165	3.5
165.16394	2.6
173.09627	9.5
175.14818	38.1
185.09586	3.1
185.13211	2.8
187.11209	2.7
191.10674	7.5
193.15877	65.4
195.11681	2.5
197.13281	2.8
209.11584	3.0
209.13403	2.7
211.16916	52.9
215.14322	2.9
225.12700	4.3
227.14293	3.1
233.15346	2.9
243.13733	4.2
265.15796	2.7
283.16922	4.3
301.17926	4.7
383.22046	5.1
399.25256	3.1
405.23923	3.7
423.25201	10.7
441.20450	3.3
441.26321	43.9
442.26846	3.1
459.27390	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01868	9.3
55.05258	2.4
55.05505	34.1
57.03425	6.4
59.04993	1.4
65.03943	4.1
67.05499	37.8
69.03410	3.5
69.07057	9.8
71.04992	3.8
77.03922	2.7
79.05482	46.9
79.58891	1.6
81.03410	54.8
81.07053	32.2
83.04978	7.0
83.08604	21.7
91.05470	33.7
92.30562	1.7
93.07036	23.7
95.04962	19.7
95.08591	15.3
97.06514	5.9
97.10165	21.4
99.08091	1.4
101.13955	1.5
103.05490	1.8
103.59384	1.5
103.60139	1.4
105.04488	1.5
105.07014	23.5
107.04954	23.8
107.08585	18.9
109.06515	5.6
109.10133	9.9
111.04430	1.4
111.08084	6.0
115.05441	3.5
117.07011	12.0
119.08555	14.3
121.06496	14.0
121.10117	7.0
123.04445	1.8
123.08068	5.9
125.09627	15.8
125.97212	1.4
128.06209	4.0
129.06989	13.8
131.04927	5.1
131.08542	17.3
133.06491	8.9
133.10114	10.1
135.08060	4.4
135.11656	3.9
137.05956	2.0
137.09608	3.5
138.43358	1.3
141.07005	4.5
142.07753	3.2
143.08537	8.2
144.05695	3.4
145.06465	29.3
145.10080	8.9
147.04379	3.1
147.08035	8.2
147.11652	7.1
149.09619	4.8
152.28535	1.3
153.09109	4.4
153.12794	1.9
154.07841	2.0
155.08517	5.7
157.06480	7.6
157.10124	10.0
159.08028	5.8
159.11731	3.5
161.05983	5.2
161.09648	3.9
163.11139	2.4
165.12753	3.0
167.08598	3.3
169.06479	3.1
169.10112	4.8
171.08076	7.7
171.11665	4.3
173.09634	1.5
173.13310	2.1
175.07561	2.3
175.11174	9.6
181.06450	2.7
181.10098	3.3
183.11671	3.1
183.30042	1.5
185.09653	4.0
185.13228	3.4
187.11197	2.0
187.14854	2.1
189.09607	1.4
189.11212	8.8
189.12759	3.2
193.10439	1.6
193.12212	28.3
195.07968	2.4
195.11685	4.6
197.13269	3.0
199.11195	3.8
201.12712	2.2
211.13168	1.6
213.12640	3.4
215.14299	4.6
217.12285	1.8
219.11700	1.9
225.12643	2.2
227.14349	3.1
231.01727	1.5
231.13872	3.9
233.15454	4.3
235.11131	2.3
237.12695	3.8
239.14301	2.3
255.13812	5.9
271.16876	2.8
273.14804	19.6
275.16205	2.7
287.16327	3.8
321.22089	2.1
331.20807	2.6
339.23190	8.1
349.21573	19.7
357.24179	5.8
367.22623	44.6
368.23172	2.8
385.23697	43.0
403.24777	9.4
405.24255	4.8
423.25189	1.7
441.26273	7.0
455.70773	1.6
459.27353	100.0
460.27869	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	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01867	7.8
55.05506	28.0
55.78077	0.7
57.03428	6.1
57.07064	0.9
59.04982	0.6
65.03939	3.7
67.05499	42.2
68.05807	0.8
69.03428	5.0
69.07059	10.9
70.04053	0.8
71.04990	4.0
73.02920	1.1
73.06520	0.9
77.03925	1.9
79.05484	51.8
80.05814	1.0
81.03409	100.0
81.07047	41.2
82.03741	1.4
82.07384	0.8
83.04966	13.6
83.08612	23.7
85.02896	0.6
85.06520	2.2
91.05470	56.8
92.05796	1.6
92.18560	0.8
93.07036	28.4
95.04960	34.7
95.08597	16.1
97.02856	4.0
97.06533	5.0
97.10154	13.7
99.08076	2.0
103.05431	1.8
105.03386	1.0
105.04534	3.2
105.07019	39.4
107.04943	19.7
107.08586	13.7
108.05266	1.0
108.08891	0.7
109.02870	0.7
109.06506	7.2
109.10140	6.3
111.04433	2.2
111.08070	9.7
113.06011	1.1
115.05445	5.2
116.06252	1.3
116.38194	0.6
117.07004	13.3
119.04947	2.8
119.08569	22.0
119.09419	1.1
121.06490	10.7
121.10130	8.9
123.04417	2.3
123.08027	3.8
123.11673	0.8
125.05977	1.1
125.09619	9.6
127.07537	0.8
128.06213	4.7
129.06990	23.6
130.07794	0.8
131.04941	4.9
131.08557	22.0
133.06485	9.7
133.10120	17.7
135.04408	0.9
135.08044	4.3
135.11679	1.4
137.05927	1.0
137.09610	2.6
141.06998	4.0
142.07768	5.6
143.08554	5.9
144.05667	1.9
145.05318	1.3
145.06470	22.3
145.10123	6.5
147.04393	1.7
147.08025	8.3
147.11668	18.4
148.55804	0.7
149.05962	0.8
149.09592	7.2
151.07640	0.7
151.11119	1.1
153.07040	1.1
153.09117	2.3
153.12785	0.8
154.07733	0.8
155.08557	5.5
157.06503	5.5
157.10114	18.2
158.07251	0.8
159.08032	6.0
159.11688	2.2
161.05962	4.1
161.09576	3.3
163.11150	3.6
165.06963	0.8
165.12740	2.5
166.07805	0.9
167.08514	1.9
169.06459	1.4
169.10112	3.4
171.08043	3.7
171.10341	1.0
171.11691	2.2
173.09592	3.1
173.13177	1.4
175.07565	1.2
175.11174	19.2
179.08597	1.4
181.10127	2.5
181.11729	0.6
183.08072	1.9
183.11659	1.1
184.08725	0.9
185.09601	3.0
185.13226	1.8
187.11113	1.2
187.14761	0.9
189.09277	1.0
189.11208	5.3
189.12704	1.6
191.10672	1.0
193.12224	48.5
194.12585	1.7
195.08031	1.4
195.11726	3.6
197.09525	1.5
197.13210	3.4
199.11139	3.4
199.14815	0.8
201.12782	1.5
203.14305	1.3
205.12277	1.4
207.11694	1.3
207.13701	0.7
209.09625	1.2
209.13219	1.5
211.11192	1.8
211.13242	1.6
213.12766	2.1
215.14316	3.1
217.12115	0.8
217.15826	0.8
223.11224	1.1
223.13239	1.0
225.12738	2.5
225.16217	0.8
227.14322	2.0
229.12300	0.8
231.13857	2.0
233.15302	4.2
235.11093	0.8
237.12672	3.3
239.14259	1.4
241.12164	1.1
241.14226	1.0
245.15335	0.8
249.14857	5.2
255.13799	5.0
259.13315	1.6
263.16708	0.7
267.16043	2.2
269.15259	1.2
271.16864	1.8
273.14832	13.8
275.16507	1.1
281.15271	0.8
283.16769	0.9
285.18414	0.8
287.16434	2.6
321.22281	1.1
323.20291	0.7
331.20447	1.0
339.23108	5.3
347.18442	0.9
349.21567	10.6
357.24222	4.3
367.22626	30.8
368.22849	1.5
385.23679	31.8
386.24011	2.5
387.23282	1.2
403.24667	6.2
405.24130	2.0
423.24979	1.5
441.26337	4.9
459.27371	84.3
460.27628	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	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14577	3.2
53.03930	4.8
55.01853	10.3
55.05502	73.4
57.03428	5.2
57.52667	2.9
65.03921	4.0
66.34782	2.8
67.05162	4.1
67.05498	49.3
69.03409	6.7
69.07059	16.3
71.08801	3.2
79.05482	55.8
81.07040	45.4
83.04975	6.1
83.08612	26.7
85.06545	3.9
87.69070	2.4
91.05468	50.8
93.07030	28.3
95.04959	10.4
95.08591	13.7
97.10161	58.3
97.26215	2.6
103.05455	27.3
105.04510	3.8
105.07005	35.3
107.04919	6.3
107.08575	30.0
109.06521	4.7
109.10152	9.4
111.08045	6.1
115.05418	15.9
117.07000	71.3
119.08554	23.5
121.06487	3.8
121.10104	5.5
125.09608	46.6
128.06187	9.5
129.00232	2.7
129.06970	31.6
131.04988	4.6
131.08533	54.0
133.06459	9.2
133.10120	8.8
135.08020	10.6
140.52469	2.7
141.06963	16.7
143.08549	16.0
145.06442	11.8
145.10086	17.7
147.08086	3.3
149.09625	5.9
153.07004	5.0
153.09048	5.7
154.07811	3.1
155.08575	19.8
157.06438	4.2
157.10080	5.7
159.08064	8.3
159.11725	6.6
166.10744	2.7
167.08516	7.5
169.10091	13.8
171.07997	5.5
171.10223	4.6
171.11690	5.8
179.08533	3.1
181.10037	4.7
183.11745	4.8
185.13249	5.0
187.11273	3.5
187.14795	27.0
189.11188	30.0
195.11627	7.7
197.13242	23.8
213.12732	7.9
215.14273	100.0
216.14594	4.5
227.12741	41.7
241.12131	4.8
245.13768	4.5
257.15350	3.9
271.16919	8.3
339.23010	5.5
349.21539	15.1
367.22598	42.2
368.23053	4.2
385.23672	25.4
403.24734	10.4
423.25363	4.5
431.28265	2.8
441.26273	50.1
442.26660	3.8
459.27344	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2738
Annotation	Prednisolone tebutate
Peak:m/z	Relative Intensity
54.22474	1.5
55.05519	4.8
59.04995	24.9
67.05498	8.6
69.03420	9.7
69.07069	4.6
69.10575	5.6
69.10986	3.9
71.04998	3.6
79.05508	5.5
81.03433	1.7
81.07047	10.2
83.04971	11.6
85.06541	3.5
91.05456	11.7
91.05893	1.2
93.07040	17.1
93.07539	1.9
95.04950	8.7
95.08590	10.6
97.06560	5.7
103.05495	1.7
103.35741	1.6
105.07023	17.0
107.04961	4.0
107.08575	10.4
109.06510	16.9
109.10183	4.0
111.04420	9.5
111.08134	2.6
113.06033	5.3
117.07059	3.6
119.04955	3.8
119.08584	12.5
121.06485	10.2
121.10095	7.9
123.08052	57.3
125.09680	2.5
127.02552	1.6
128.06238	3.5
129.05504	3.1
129.07024	3.4
130.07849	2.5
131.08557	10.1
133.06482	2.2
133.10175	7.0
135.08076	7.8
135.11700	3.5
137.06041	6.0
137.09616	4.6
139.07564	2.6
141.06961	2.5
142.07767	2.7
143.08528	11.5
145.06522	3.6
145.10120	18.3
145.11099	1.9
147.08034	7.9
147.11719	3.9
149.09575	11.5
150.11685	1.5
151.07587	2.7
151.11151	2.2
155.08568	7.8
157.06540	1.9
157.10074	9.4
158.07312	2.1
159.08101	6.1
159.11752	7.3
161.09576	11.8
163.07568	2.0
163.11241	6.5
167.08546	1.9
169.10214	7.1
171.08015	9.3
171.11633	8.0
173.09581	22.1
173.13293	6.4
175.07538	2.0
175.11217	6.3
179.08554	2.2
180.09352	2.6
181.10173	3.8
183.11742	5.0
184.69501	1.5
185.09547	3.7
185.13316	5.3
187.07655	2.2
187.11259	6.4
189.09172	5.1
189.12816	2.3
191.10635	17.4
193.10347	3.3
193.12355	6.1
195.11778	5.1
197.09634	2.7
197.13237	7.4
199.11255	5.1
199.14841	3.1
201.12827	5.1
203.05287	2.7
207.11877	2.8
209.09810	2.3
209.11745	5.1
209.13333	4.0
211.11261	6.4
211.14926	3.3
213.12683	8.7
215.14444	6.9
217.12292	2.6
219.11719	2.6
221.13342	1.9
223.11427	3.2
223.14885	3.5
225.12749	11.4
227.14450	5.5
229.12256	2.3
231.11841	2.3
231.13789	7.7
233.13326	1.9
233.15353	3.7
235.15039	2.6
237.12775	2.0
237.16515	4.4
239.14418	5.4
241.15846	1.8
243.13876	6.5
249.14952	6.4
250.13773	1.6
251.14281	1.7
253.15868	3.4
255.17479	4.3
263.14420	2.1
265.15802	8.0
269.15237	2.7
279.18326	2.4
283.16919	13.6
291.19742	3.5
293.18985	3.8
295.16925	1.7
299.16766	4.5
301.17911	16.8
302.18591	3.6
305.29953	1.7
311.20209	7.3
313.21878	2.5
321.18619	6.2
329.21307	5.5
331.22995	2.5
335.20187	2.9
337.21698	2.1
339.19843	5.2
353.21100	2.2
355.22717	4.1
357.20813	5.5
365.20990	2.9
371.22192	12.4
377.25073	2.1
381.24213	2.7
383.22278	7.3
387.23331	3.3
399.25232	9.2
401.23444	4.7
405.24097	16.3
423.25308	35.1
441.26297	100.0
442.26993	4.9
459.22601	5.2
459.27557	73.0
460.27917	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	459.2741
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
52.59180	1.3
53.03944	1.8
55.01863	1.9
55.05502	2.7
57.63226	1.2
59.04736	2.1
59.05002	31.1
59.62588	1.3
61.55136	1.5
66.95836	1.3
67.05503	8.3
69.03416	6.3
69.07050	3.2
69.75992	5.5
70.67123	1.4
71.05016	1.3
78.23422	1.3
79.05471	8.7
81.07050	13.3
83.04968	4.0
91.05473	12.1
93.07038	16.3
95.04958	8.3
95.08598	12.6
97.06525	6.5
105.07024	19.3
107.04936	2.4
107.08572	11.1
109.06496	13.8
109.10155	6.7
110.04010	1.4
111.08109	2.4
113.06007	1.9
117.07007	6.7
119.04935	1.9
119.08567	22.0
121.06469	9.6
121.10101	8.2
123.08061	92.6
124.08401	2.0
125.09612	3.1
128.06215	3.7
129.06998	4.3
130.07860	1.4
131.05019	1.5
131.08568	13.2
133.06479	2.9
133.10143	7.0
135.08052	8.0
135.11687	5.4
137.05989	4.2
137.09590	3.5
139.07591	2.2
142.07721	2.2
143.08556	11.8
145.06459	2.2
145.10118	21.5
147.08041	8.9
147.11684	3.4
149.09599	16.2
151.07487	2.6
151.11169	2.8
155.08482	7.5
156.09340	2.1
157.10107	6.6
158.07188	2.6
159.08047	4.5
159.11662	6.7
161.09616	14.1
161.13219	1.5
163.11209	9.6
165.07072	2.0
166.07802	1.5
167.08551	3.5
167.10628	2.6
169.10106	6.1
171.08035	7.2
171.11720	6.7
172.08798	1.5
173.09615	26.3
173.13274	3.2
175.11235	7.3
179.08588	3.0
179.10641	4.1
181.10080	4.5
183.11713	7.5
185.09605	6.0
185.13281	4.2
187.11171	4.9
189.09081	5.6
189.12790	2.1
191.10663	19.2
192.09325	1.9
193.10229	2.6
193.12233	5.3
195.11681	7.3
196.12599	1.8
197.09602	1.7
197.13252	9.6
199.11150	5.5
201.12738	4.2
203.10654	1.8
207.11731	4.3
209.11652	4.6
209.13367	3.4
211.11140	4.0
211.14796	1.8
213.12732	7.8
215.14328	6.4
217.12357	2.6
219.11742	1.8
221.13387	2.3
222.10100	1.6
223.11194	3.6
223.14804	3.5
225.12692	10.6
227.14288	4.5
231.13783	6.3
233.15324	3.9
235.11252	1.7
237.12741	2.0
237.16367	2.6
239.14281	5.5
241.15916	3.6
243.13817	10.7
247.14790	2.4
249.14859	4.2
251.14221	1.6
255.17447	5.8
257.15350	2.4
263.14362	1.5
265.15869	6.0
267.17426	2.0
273.18356	2.7
277.15967	1.8
281.15369	1.9
283.16849	10.6
291.19537	5.3
301.17947	10.6
303.19858	1.9
307.16803	2.5
319.19080	2.8
347.19989	2.7
355.22513	3.0
363.23456	1.7
365.21048	4.7
381.23981	3.4
383.22116	12.6
395.25754	2.0
399.25131	3.4
401.23264	1.8
405.24139	9.5
422.82251	1.5
423.25327	26.9
441.20853	9.6
441.26312	100.0
442.26785	7.2
459.21783	5.3
459.27396	29.8
460.27667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2736
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
55.05512	4.1
57.07065	1.4
59.04995	35.7
67.05498	8.7
69.03413	4.2
69.07063	1.5
79.05488	7.4
79.11279	1.5
81.07047	11.3
83.04953	2.4
91.05459	11.9
93.07030	14.9
95.04952	9.5
95.08590	11.0
97.06509	6.5
98.22603	3.5
99.08076	1.7
103.05431	1.6
105.07011	19.1
107.04952	3.0
107.08580	10.0
109.06504	15.1
109.10133	3.5
111.08086	2.1
113.05994	2.0
115.05447	1.5
117.07003	6.9
119.04945	2.2
119.08575	19.6
121.06519	8.2
121.10137	5.5
123.08054	77.7
125.09657	1.6
128.06233	3.2
129.06979	4.6
130.07788	1.9
131.08548	12.8
133.10101	8.2
135.08025	9.3
135.11717	2.1
137.05963	4.5
137.09579	3.5
139.07518	1.7
141.06955	2.0
142.07803	2.2
143.08540	11.0
145.06512	3.6
145.10118	17.8
147.08014	10.1
147.11667	3.9
149.09601	13.7
151.11186	3.1
155.08475	7.8
156.09305	1.9
157.10127	10.0
158.07249	2.9
159.08061	4.0
159.11670	6.7
161.09583	12.3
163.11179	11.2
165.06989	1.7
167.08562	3.5
167.10721	2.0
168.09462	1.8
169.10098	5.6
171.07948	7.6
171.11670	6.9
173.09595	22.7
173.13283	3.4
175.11131	5.2
181.10159	6.9
181.11641	1.6
182.10988	2.4
183.08017	1.9
183.11748	7.3
184.08762	1.6
185.09601	3.3
185.13219	3.7
187.11166	5.2
189.09111	4.9
189.12831	3.4
191.10664	15.5
192.09360	3.1
193.10181	2.5
193.12215	4.5
195.11646	6.0
197.09523	3.3
197.13278	6.7
198.10429	2.0
199.11147	6.2
199.14789	1.9
201.12721	3.1
207.11690	4.6
209.09737	2.7
209.11655	6.0
209.13380	3.1
211.11136	3.6
211.14807	1.9
213.12695	6.8
215.14256	5.2
221.13196	3.3
223.11153	3.0
225.12703	12.8
227.14230	4.5
229.12282	1.9
231.13799	4.4
233.15312	3.5
237.16327	2.5
239.14349	4.3
239.73764	1.6
243.13765	9.6
249.14688	3.9
255.17468	3.8
263.14258	2.5
265.15887	6.5
267.17554	1.6
277.15793	3.0
283.16977	7.4
291.19623	3.2
301.17868	11.8
319.19089	2.2
329.17358	4.9
335.19797	2.5
337.21655	3.7
341.20926	1.8
347.20148	2.2
353.20932	2.2
355.22968	2.1
357.20319	1.6
365.21094	3.9
377.24747	1.5
381.24176	2.6
383.22214	12.9
387.23221	2.4
399.25333	5.3
401.23035	2.4
405.24265	10.8
423.25229	26.8
441.26312	100.0
442.26602	8.6
457.15536	1.7
459.27362	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04999	1.0
54.93135	0.9
55.01866	1.9
55.05505	13.9
57.03432	3.1
59.04992	8.9
65.03938	3.0
65.85153	0.9
67.05501	24.9
67.05863	1.4
69.03429	4.1
69.07061	13.1
69.21916	5.5
71.05000	2.1
75.99914	0.8
77.03957	1.0
79.05489	8.6
81.07053	15.7
83.04990	3.1
83.08613	21.3
85.06543	1.9
91.05477	13.6
93.07040	23.1
95.04961	43.4
95.08598	36.2
96.08912	1.0
97.06545	4.5
99.08125	1.2
100.39196	1.1
103.05473	1.2
105.03416	2.6
105.04504	1.3
105.07008	21.3
107.04953	2.4
107.08579	14.6
109.02882	1.1
109.06490	9.6
109.10145	5.1
111.08073	17.9
111.11757	1.2
113.09628	13.2
117.07018	7.0
119.04950	3.7
119.08560	17.7
119.81081	1.1
121.06514	10.3
121.10132	12.9
123.04445	2.4
123.08057	21.4
123.08903	1.7
123.11736	3.9
123.92408	1.1
123.98868	0.9
125.06003	1.9
125.09639	2.0
128.06267	1.9
129.05492	4.0
129.07022	3.6
129.09120	1.7
130.07787	2.1
131.08562	22.3
133.06473	2.0
133.10124	10.8
135.08054	5.8
135.11752	3.2
137.05981	6.2
137.09607	2.1
139.07579	1.5
139.11194	1.8
141.07031	1.2
141.12683	5.5
142.07768	1.8
143.08546	13.0
143.09479	1.3
145.06503	3.6
145.10103	41.4
146.10603	1.0
147.08018	9.0
147.11664	6.3
149.09607	6.4
151.07530	1.9
151.11217	2.3
155.08508	7.8
156.09290	2.2
157.10107	11.9
157.12253	1.1
158.07352	1.7
159.08025	7.4
159.11665	12.5
161.09590	11.7
161.10603	0.9
161.13243	4.7
161.32162	1.1
163.07587	1.6
163.11177	8.7
163.14896	1.4
165.06955	1.7
165.12836	1.8
166.07751	1.6
167.08594	2.6
168.09294	1.3
169.10132	6.7
170.10956	1.1
171.08037	9.0
171.11647	7.5
172.08865	1.7
173.09615	27.1
173.11058	1.5
173.13245	23.9
174.09961	1.3
175.07600	1.3
175.11191	7.7
175.14842	2.5
177.12843	1.4
179.08556	1.2
179.10852	1.4
179.14290	28.0
180.09314	1.6
181.10072	5.5
182.10893	2.1
183.08139	1.3
183.11670	8.5
184.12352	1.1
185.09590	5.7
185.13229	7.5
186.10503	1.2
187.11159	8.4
187.14838	2.7
189.09129	7.1
189.12737	1.3
191.10631	9.8
191.14375	3.1
193.10114	1.9
195.11678	7.3
197.09671	3.5
197.13249	6.5
198.10422	2.7
199.11185	6.7
199.14914	2.6
200.12071	1.5
201.09163	2.6
201.12712	8.0
203.14326	1.2
205.10370	1.1
205.12318	2.5
207.11748	3.6
209.11697	1.4
209.13336	6.3
210.10345	1.5
211.11200	3.9
211.14882	2.7
213.12737	16.0
213.16382	1.2
215.14304	7.4
217.12297	1.8
219.11813	1.1
219.13768	17.2
221.13406	2.3
222.10701	1.0
223.11246	3.8
223.14897	3.1
225.12717	7.9
225.16524	2.6
226.13362	1.3
227.14357	3.5
229.12325	4.2
231.13741	9.7
233.15471	2.3
235.11206	1.6
235.14973	2.7
236.11909	1.1
237.12714	2.0
237.16458	4.1
238.13556	1.5
239.14410	4.6
241.12262	2.1
241.15923	2.8
243.13972	1.3
243.17516	1.5
247.13071	1.9
249.14755	7.0
250.13388	1.3
251.14403	2.1
251.18040	1.2
253.15897	3.7
255.14116	1.5
255.17506	5.5
257.15463	1.5
261.18594	4.5
265.15921	6.2
265.19443	2.2
267.17493	2.1
269.15503	1.3
269.18900	1.1
271.16870	7.4
273.18558	1.2
275.18011	1.5
283.16895	13.9
283.20096	1.8
284.17480	1.3
285.18613	2.0
288.15506	1.0
293.18997	8.1
299.16483	3.4
299.19949	1.9
301.17950	43.7
302.18665	4.8
303.19757	1.8
311.03738	1.1
311.19995	21.6
314.31790	1.0
317.21317	2.1
319.19241	3.2
321.18402	2.4
329.17188	1.6
329.21072	30.5
329.24719	2.0
330.21579	2.2
331.22678	2.6
335.19980	1.4
339.19501	8.0
347.22131	23.8
348.22607	2.1
353.21359	3.1
354.50662	1.0
357.20554	27.2
371.22153	16.2
372.22797	2.0
375.21729	6.2
405.24011	1.4
423.29880	5.2
441.25812	8.8
441.31235	18.8
442.30618	2.0
459.31161	100.0
460.31491	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	459.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01871	2.2
55.05505	10.5
56.28727	1.5
57.03445	2.6
57.07080	1.9
59.05001	9.9
63.09878	1.6
67.05499	26.1
69.03429	3.9
69.07054	13.4
69.30631	8.8
71.05010	2.7
77.82959	1.5
79.05482	11.6
81.07060	13.6
81.07476	2.0
83.04996	2.2
83.08617	16.4
85.06533	3.0
91.05456	10.8
93.07036	23.2
95.04955	48.1
95.05520	2.9
95.08597	43.6
97.06544	6.5
98.22620	1.8
99.09813	2.2
103.05480	3.0
105.03401	1.8
105.04522	1.8
105.07015	18.2
107.04943	9.9
107.08576	13.1
109.06529	7.7
109.10182	5.1
111.08074	22.2
111.08823	1.9
113.09635	19.2
115.03939	1.8
115.05443	2.4
117.06988	8.8
119.04925	1.9
119.08567	16.9
121.06509	10.8
121.10160	13.3
123.04495	1.9
123.08047	36.9
123.08868	2.2
123.11738	3.5
125.09620	3.4
128.06241	2.5
129.07040	5.4
131.08549	17.5
133.10092	11.0
135.08043	8.5
135.11758	3.2
137.06003	5.8
137.09677	3.7
139.07538	2.2
141.06996	2.3
141.12729	8.8
142.07828	2.5
143.08565	13.8
145.06474	3.0
145.10110	40.5
145.11195	2.4
147.08041	8.8
147.11708	7.5
149.09601	10.3
149.13264	2.2
151.11186	2.1
153.09166	2.0
154.07767	1.8
155.08516	8.6
156.09293	1.9
157.10080	10.1
159.08037	8.1
159.11678	11.4
161.09622	14.3
161.13333	5.4
163.07578	7.9
163.11238	6.1
163.14792	2.0
167.07034	2.6
169.10005	8.0
171.07979	9.2
171.11765	7.3
173.09584	27.5
173.13234	21.4
175.11160	8.3
177.09151	2.5
179.08618	1.9
179.14284	31.6
179.15675	2.4
181.08763	1.8
181.10236	6.1
182.10858	3.8
183.08022	3.0
183.11697	8.0
185.09703	4.9
185.13266	7.8
187.11255	7.2
187.14870	2.5
189.09114	4.6
189.12822	3.1
191.10690	11.6
191.14436	2.6
193.10272	2.3
195.10237	4.1
195.11786	7.3
197.09601	3.1
197.13179	10.8
199.11180	8.5
199.14799	2.2
201.12709	9.6
205.10286	2.3
205.12222	2.7
207.11734	4.7
209.09673	3.5
209.11607	3.7
209.13377	6.5
211.11241	3.9
211.14952	3.5
212.12071	1.8
213.12727	12.3
215.14297	10.1
217.12189	2.3
219.13733	12.9
221.13232	2.1
223.11305	4.7
223.14925	4.5
225.12737	8.0
227.14346	2.8
229.12204	2.0
231.13852	9.4
233.15459	3.1
237.12875	2.8
237.16466	5.7
239.14333	3.7
243.13834	2.5
249.14970	4.7
253.15950	4.1
255.17532	6.1
261.18622	3.4
265.16028	7.8
265.19641	3.4
267.17624	3.7
271.17099	4.7
275.18115	3.2
283.17059	13.0
283.20752	4.8
284.17606	2.3
285.18951	2.4
293.19205	6.9
299.16541	4.0
301.17957	52.9
302.18689	5.1
311.19992	18.1
317.21243	5.3
319.19125	5.0
321.18622	2.1
329.17270	3.1
329.21082	43.2
329.24747	3.3
330.21497	2.0
331.22739	3.4
339.19473	8.4
347.22189	18.0
348.22186	1.8
353.21344	6.0
357.20541	32.9
357.24695	2.1
358.20950	2.4
371.22150	47.1
371.26605	2.4
372.22961	2.4
375.21857	5.7
383.22351	2.8
399.25439	2.0
405.24258	2.2
423.25253	6.2
423.29294	7.5
441.25983	14.6
441.31299	26.2
442.25983	2.4
459.31244	100.0
460.31451	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	459.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04999	1.0
54.93135	0.9
55.01866	1.9
55.05505	13.9
57.03432	3.1
59.04992	8.9
65.03938	3.0
65.85153	0.9
67.05501	24.9
67.05863	1.4
69.03429	4.1
69.07061	13.1
69.21916	5.5
71.05000	2.1
75.99914	0.8
77.03957	1.0
79.05489	8.6
81.07053	15.7
83.04990	3.1
83.08613	21.3
85.06543	1.9
91.05477	13.6
93.07040	23.1
95.04961	43.4
95.08598	36.2
96.08912	1.0
97.06545	4.5
99.08125	1.2
100.39196	1.1
103.05473	1.2
105.03416	2.6
105.04504	1.3
105.07008	21.3
107.04953	2.4
107.08579	14.6
109.02882	1.1
109.06490	9.6
109.10145	5.1
111.08073	17.9
111.11757	1.2
113.09628	13.2
117.07018	7.0
119.04950	3.7
119.08560	17.7
119.81081	1.1
121.06514	10.3
121.10132	12.9
123.04445	2.4
123.08057	21.4
123.08903	1.7
123.11736	3.9
123.92408	1.1
123.98868	0.9
125.06003	1.9
125.09639	2.0
128.06267	1.9
129.05492	4.0
129.07022	3.6
129.09120	1.7
130.07787	2.1
131.08562	22.3
133.06473	2.0
133.10124	10.8
135.08054	5.8
135.11752	3.2
137.05981	6.2
137.09607	2.1
139.07579	1.5
139.11194	1.8
141.07031	1.2
141.12683	5.5
142.07768	1.8
143.08546	13.0
143.09479	1.3
145.06503	3.6
145.10103	41.4
146.10603	1.0
147.08018	9.0
147.11664	6.3
149.09607	6.4
151.07530	1.9
151.11217	2.3
155.08508	7.8
156.09290	2.2
157.10107	11.9
157.12253	1.1
158.07352	1.7
159.08025	7.4
159.11665	12.5
161.09590	11.7
161.10603	0.9
161.13243	4.7
161.32162	1.1
163.07587	1.6
163.11177	8.7
163.14896	1.4
165.06955	1.7
165.12836	1.8
166.07751	1.6
167.08594	2.6
168.09294	1.3
169.10132	6.7
170.10956	1.1
171.08037	9.0
171.11647	7.5
172.08865	1.7
173.09615	27.1
173.11058	1.5
173.13245	23.9
174.09961	1.3
175.07600	1.3
175.11191	7.7
175.14842	2.5
177.12843	1.4
179.08556	1.2
179.10852	1.4
179.14290	28.0
180.09314	1.6
181.10072	5.5
182.10893	2.1
183.08139	1.3
183.11670	8.5
184.12352	1.1
185.09590	5.7
185.13229	7.5
186.10503	1.2
187.11159	8.4
187.14838	2.7
189.09129	7.1
189.12737	1.3
191.10631	9.8
191.14375	3.1
193.10114	1.9
195.11678	7.3
197.09671	3.5
197.13249	6.5
198.10422	2.7
199.11185	6.7
199.14914	2.6
200.12071	1.5
201.09163	2.6
201.12712	8.0
203.14326	1.2
205.10370	1.1
205.12318	2.5
207.11748	3.6
209.11697	1.4
209.13336	6.3
210.10345	1.5
211.11200	3.9
211.14882	2.7
213.12737	16.0
213.16382	1.2
215.14304	7.4
217.12297	1.8
219.11813	1.1
219.13768	17.2
221.13406	2.3
222.10701	1.0
223.11246	3.8
223.14897	3.1
225.12717	7.9
225.16524	2.6
226.13362	1.3
227.14357	3.5
229.12325	4.2
231.13741	9.7
233.15471	2.3
235.11206	1.6
235.14973	2.7
236.11909	1.1
237.12714	2.0
237.16458	4.1
238.13556	1.5
239.14410	4.6
241.12262	2.1
241.15923	2.8
243.13972	1.3
243.17516	1.5
247.13071	1.9
249.14755	7.0
250.13388	1.3
251.14403	2.1
251.18040	1.2
253.15897	3.7
255.14116	1.5
255.17506	5.5
257.15463	1.5
261.18594	4.5
265.15921	6.2
265.19443	2.2
267.17493	2.1
269.15503	1.3
269.18900	1.1
271.16870	7.4
273.18558	1.2
275.18011	1.5
283.16895	13.9
283.20096	1.8
284.17480	1.3
285.18613	2.0
288.15506	1.0
293.18997	8.1
299.16483	3.4
299.19949	1.9
301.17950	43.7
302.18665	4.8
303.19757	1.8
311.03738	1.1
311.19995	21.6
314.31790	1.0
317.21317	2.1
319.19241	3.2
321.18402	2.4
329.17188	1.6
329.21072	30.5
329.24719	2.0
330.21579	2.2
331.22678	2.6
335.19980	1.4
339.19501	8.0
347.22131	23.8
348.22607	2.1
353.21359	3.1
354.50662	1.0
357.20554	27.2
371.22153	16.2
372.22797	2.0
375.21729	6.2
405.24011	1.4
423.29880	5.2
441.25812	8.8
441.31235	18.8
442.30618	2.0
459.31161	100.0
460.31491	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	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
55.01872	8.7
57.03434	4.5
57.60075	1.1
60.04511	1.9
61.02922	5.4
67.05492	1.3
68.99783	3.8
69.03426	29.7
69.03801	1.5
69.70451	1.6
69.70804	3.5
71.04997	5.7
71.33169	1.0
73.02911	7.7
79.05491	1.8
81.03411	31.5
81.07038	1.5
85.02898	81.2
85.75325	1.2
86.03222	1.3
87.00827	31.7
87.04478	1.1
91.03941	1.3
91.05464	1.9
95.08616	2.0
97.02888	32.5
97.03487	2.2
98.23381	1.4
99.04454	13.3
103.05465	7.6
105.01860	28.0
105.07040	3.3
107.04932	6.8
107.08576	1.1
108.04482	8.0
109.02872	30.1
117.01850	3.7
117.06999	1.1
121.06496	1.4
126.05496	5.1
127.03907	59.7
128.04300	1.2
129.01840	4.3
131.04936	2.0
131.08495	1.0
135.08035	5.0
137.05997	2.6
139.03908	3.9
145.04951	27.0
147.02895	2.3
154.06235	31.2
154.07529	1.7
159.02885	18.1
163.07533	28.2
167.07025	2.1
178.07390	1.1
180.07713	1.3
195.10149	100.0
196.10492	2.1
199.92644	1.0
205.05717	1.1
212.05412	1.1
213.03986	4.0
230.06628	4.2
231.05009	14.5
248.07672	7.3
266.08731	1.6
285.11191	1.2
293.58414	1.0
326.65311	1.0
460.21173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	54.6
67.03422	1.8
69.03419	5.3
71.43726	2.3
81.03407	3.4
82.61240	2.0
84.39572	1.9
85.02902	5.7
86.09712	2.6
87.04473	3.1
97.02885	3.3
99.04493	2.2
101.06000	13.9
109.02885	2.7
115.03944	9.3
126.50117	1.9
127.03917	5.7
129.05463	100.0
145.04991	3.2
147.04413	2.1
147.06506	20.8
153.01846	5.1
191.13051	2.0
270.35529	2.0
273.09647	5.7
283.50800	2.4
291.10672	9.8
407.15579	2.5
460.15912	21.0
461.11646	1.8
461.16132	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	460.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.5
55.13438	5.8
67.05524	5.7
69.07068	6.3
79.05478	7.2
81.03416	12.3
81.07055	6.5
83.08577	8.5
85.02953	6.5
86.09710	5.7
91.05469	13.6
94.23024	5.4
100.11243	9.5
109.02944	7.2
109.56986	5.8
127.03931	13.1
131.08614	6.6
137.05974	14.1
143.03468	5.9
147.38817	5.3
151.07591	10.7
153.01813	100.0
153.02940	8.7
171.02884	12.5
210.14891	15.8
225.08980	6.7
315.07065	16.9
365.87924	5.9
403.97824	6.2
440.16183	7.1
460.27722	12.3
460.34073	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	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05492	4.0
57.03434	3.5
59.04989	4.9
67.05508	2.2
68.80311	1.4
69.03427	15.5
69.07059	2.5
69.98743	1.7
69.99066	2.8
70.79422	1.2
71.04992	3.1
73.02927	1.9
75.04468	4.9
79.05489	16.9
81.03407	13.0
81.07055	7.2
83.04983	1.9
85.02901	8.0
85.06531	3.8
87.04446	1.6
91.05481	17.9
93.07040	91.2
94.07346	2.2
95.04979	6.2
95.08613	5.2
97.02890	8.2
98.23524	1.7
99.04433	2.2
103.05482	1.6
105.04530	3.0
105.07022	12.0
107.04972	1.3
107.08581	14.5
109.02855	3.8
109.06533	1.8
109.10128	2.1
111.08098	3.7
115.03909	2.9
117.06994	2.6
119.08583	17.3
120.08871	1.6
121.06482	4.9
121.10135	100.0
122.10463	1.5
123.08054	8.5
124.08390	3.4
127.03897	6.4
129.05447	2.0
131.08575	10.0
133.10143	3.3
135.08046	2.2
137.05992	1.7
139.11192	5.2
143.08498	2.7
145.04942	4.4
145.10110	2.4
146.10512	1.9
147.08061	1.7
147.11699	2.3
149.09608	50.5
150.09915	1.7
159.11641	1.8
161.09608	2.1
163.11090	2.1
167.10667	23.7
173.09621	3.4
175.11160	2.1
211.11162	1.5
244.14192	2.8
249.14980	1.6
275.12839	1.8
293.10782	1.8
293.13806	12.6
305.23840	1.4
311.14838	27.1
331.92877	1.4
347.31134	1.6
417.68286	1.4
424.25635	4.2
435.16440	1.4
441.25970	1.9
442.26575	15.4
443.27841	1.6
460.27106	5.5
479.98273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01863	2.3
57.03422	4.4
57.07068	8.1
61.02920	10.2
69.03422	16.1
70.06586	1.4
70.40668	2.2
71.04984	1.6
73.02901	2.9
73.77377	1.0
81.03407	5.8
83.04926	1.1
85.02894	100.0
86.09689	1.5
87.04453	1.5
91.03945	6.0
97.02880	24.3
99.04446	4.5
108.08181	0.9
109.02852	7.8
112.99027	0.8
114.68652	0.9
115.03909	1.2
119.10670	5.1
127.03900	26.8
129.05415	1.2
136.07542	1.2
145.04936	58.4
146.06061	7.6
153.01814	4.2
158.24478	1.0
163.05991	30.7
163.07303	1.9
172.98683	1.1
214.29906	1.0
219.12337	1.2
225.09671	26.9
251.07037	1.2
262.71011	1.0
298.12711	1.4
325.11276	4.1
356.24646	1.0
368.93359	1.0
460.17520	2.3
461.14914	2.8
461.19678	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	460.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10803	1.0
52.47163	0.9
53.03939	1.9
55.01863	2.0
57.03424	4.8
57.07074	14.6
58.38800	1.0
59.55842	1.0
61.02921	9.5
62.20944	1.0
63.04192	1.2
63.04490	16.8
69.03423	17.7
69.46703	2.3
69.47085	3.1
71.04980	2.9
73.02905	3.8
77.73498	1.0
79.67883	1.2
81.03413	6.8
85.02895	100.0
87.04449	2.2
91.03954	6.5
97.02882	28.8
98.35751	1.1
99.04441	3.2
101.09604	1.4
103.03954	1.4
109.02882	7.7
115.99860	1.1
119.04900	1.4
119.10681	73.3
120.11030	2.4
127.03904	25.8
145.04947	40.4
147.04416	4.8
153.01790	2.3
163.06012	15.4
165.61676	1.0
182.04919	2.4
183.05283	3.0
208.02882	2.9
209.03113	2.3
239.55513	1.0
287.03641	2.0
288.03906	2.2
328.08926	1.7
460.18594	5.3
461.19675	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1079
Annotation	Baicalein 6-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
55.05502	0.5
55.48967	0.4
67.05493	0.6
69.07049	1.2
70.00625	0.4
71.18454	0.5
79.05489	0.5
81.07037	1.4
83.04978	0.5
83.08613	0.9
85.02917	0.3
85.06522	0.6
91.05455	0.9
91.17059	0.3
93.07033	0.7
95.04990	0.6
95.08599	2.1
98.23505	0.4
100.11255	0.5
105.03401	0.4
105.07021	0.7
107.04931	0.4
107.08559	0.6
109.10122	0.8
113.09612	0.9
116.07884	0.4
119.04922	0.4
119.08557	1.1
121.10091	0.5
123.11713	0.9
131.08516	0.4
133.10132	0.5
137.05952	1.0
139.11217	0.3
143.08560	0.5
145.06459	0.4
145.10101	0.9
147.08038	0.4
147.11621	0.5
149.13242	0.4
151.07518	0.4
159.11702	0.5
161.09622	0.5
168.00587	0.4
168.05707	0.7
173.09602	0.3
173.13229	0.4
179.04886	0.6
179.14404	0.3
181.10196	0.4
182.15451	0.4
191.10669	0.4
199.14995	0.4
224.04597	0.4
231.13750	0.4
240.50995	0.3
241.04942	0.3
242.05655	1.0
269.04340	0.7
270.05209	70.8
271.05527	2.9
279.37198	0.4
284.03403	0.4
285.07550	100.0
286.07907	5.8
355.22623	0.4
443.32208	0.6
461.10501	0.4
461.33148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63047	0.5
56.96544	0.6
67.05511	0.9
69.03448	1.0
69.07069	6.2
69.53730	1.0
69.54122	1.2
79.05492	0.4
81.07066	3.7
86.09716	1.7
91.05444	0.7
93.07041	1.4
95.04982	0.9
95.08601	1.3
97.06544	1.1
98.22743	1.0
99.08132	1.5
101.36357	0.6
105.07024	0.9
107.08577	1.2
109.06519	0.6
111.04403	0.7
111.08084	0.5
117.07011	0.8
119.04932	1.0
119.08643	1.0
121.06543	1.1
121.10111	1.1
131.08566	0.8
135.08122	0.6
137.06009	1.1
143.08601	1.2
145.10121	1.8
147.04427	2.0
147.11710	0.8
151.07565	0.8
153.01820	1.9
157.10133	1.1
159.08102	0.6
159.11655	0.6
161.09595	0.7
163.07617	0.7
165.12776	0.7
171.08014	1.4
171.11691	1.0
173.09674	1.3
173.13283	0.7
175.11128	0.6
181.10173	0.6
181.12231	1.1
195.11707	0.7
199.11171	0.7
201.05342	0.8
205.04715	58.5
206.05095	1.4
218.05344	0.7
225.12704	0.8
236.79141	0.5
248.11732	0.6
253.15971	0.8
263.14197	0.7
266.07593	12.7
267.08328	3.6
281.15417	0.9
283.16849	0.6
293.18927	0.6
299.16342	1.7
301.18097	2.0
302.18796	0.6
317.17581	1.1
329.15814	2.3
329.21216	0.9
335.09387	0.8
359.02969	0.5
363.21893	0.5
387.21524	1.2
407.25781	1.0
425.27133	2.3
431.13037	1.7
443.27930	4.6
461.13992	37.5
461.19894	100.0
461.28687	7.3
462.14197	1.9
462.20251	4.0
475.58679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05510	2.1
56.05856	0.4
57.03445	0.4
57.07073	0.6
59.04991	0.5
64.43877	0.4
67.05502	3.3
68.05833	1.1
69.03431	0.7
69.07067	3.8
69.29170	0.9
69.29574	1.4
70.07400	0.5
79.05489	1.3
81.07055	3.4
82.07399	0.9
83.04981	0.6
83.08624	2.5
84.08945	0.6
85.06512	0.6
89.21785	0.4
91.05472	2.2
92.05804	0.6
93.07046	3.5
94.07388	1.2
95.04976	5.3
95.08601	4.8
96.05307	2.2
96.08952	1.4
97.06525	1.2
99.08098	1.1
105.03402	0.6
105.07013	3.3
106.07423	1.0
107.04960	0.6
107.08585	2.5
108.08910	0.7
109.06512	1.7
109.10172	1.1
110.06860	0.5
110.76053	0.4
111.08082	2.9
112.08418	0.9
113.09648	2.1
114.09996	0.5
117.06997	1.2
119.04944	0.7
119.08530	2.4
120.08894	0.8
121.06489	1.3
121.10153	2.0
122.06858	0.6
122.10502	0.7
123.08034	2.8
123.11727	0.7
124.08388	1.1
125.09590	1.0
131.04956	0.8
131.08560	2.7
132.08842	0.9
133.10138	1.3
134.10516	0.5
135.04312	0.4
135.08063	0.8
137.06007	1.4
141.07036	0.5
141.12752	0.6
142.13071	0.5
143.08537	1.7
144.08852	1.0
145.10129	4.7
146.10478	3.0
147.08044	1.2
147.10739	0.6
147.11755	0.8
148.08327	0.6
149.09619	0.6
151.07576	0.5
155.08580	0.9
157.10159	1.2
158.10402	0.7
159.07997	1.1
159.11685	1.7
160.12016	0.8
161.09575	0.9
162.10031	0.8
163.11131	0.9
164.11501	0.5
167.06987	0.7
169.10194	0.6
171.08047	1.6
171.11681	0.6
172.08435	0.5
173.09673	3.2
173.13237	2.2
174.09978	1.7
174.13596	2.3
179.14258	2.1
180.14618	2.3
181.10175	0.8
181.14879	0.6
182.10728	0.6
183.11607	0.7
184.08655	0.4
184.12067	0.5
185.09602	0.9
186.13725	0.6
187.11122	1.1
189.05206	3.4
189.09137	0.7
190.09477	0.6
191.10683	1.0
192.11179	0.6
194.10733	0.5
196.12094	0.9
197.09641	0.5
197.13254	0.9
198.10109	0.6
198.13603	0.5
199.11211	1.5
199.14767	0.5
200.11647	0.7
201.12686	0.7
202.13153	0.6
203.06805	0.5
207.11655	0.6
208.12263	0.5
210.13649	0.5
211.11067	0.5
211.14775	0.6
213.12701	1.3
214.13081	1.6
215.14314	0.4
216.14716	0.8
219.06279	6.3
219.13911	1.5
220.14246	1.5
223.11220	0.8
224.11649	0.5
225.12840	0.6
226.13116	0.6
227.14052	0.5
231.06232	0.8
231.13719	1.0
232.14133	1.4
234.08614	35.0
235.09177	2.5
237.12645	0.7
238.13210	0.5
239.14288	0.7
247.09436	0.7
249.14751	0.5
250.15346	0.4
253.16023	0.6
256.17734	0.5
265.15750	0.5
266.16214	0.6
283.17093	0.5
283.20560	0.5
284.17273	1.5
285.18015	0.8
287.12579	0.6
287.16669	0.4
293.19019	0.5
294.19299	0.6
295.19861	0.6
299.16501	1.1
299.81998	0.4
300.17029	0.5
301.17996	2.9
302.18362	3.9
303.18607	2.9
311.20132	0.6
312.20349	2.0
313.20779	1.1
319.19318	0.5
329.21054	1.7
330.21368	3.4
331.21793	1.8
331.63046	0.4
339.19608	0.4
340.19705	0.5
341.20248	0.5
347.22174	0.7
348.22464	1.8
349.22748	1.7
357.20609	0.7
358.20880	3.0
359.21143	1.9
371.22495	0.6
372.22620	1.4
373.22852	1.3
376.22131	0.8
389.24710	0.6
407.25671	0.6
413.15738	1.6
425.26733	1.6
431.16769	0.9
442.30417	1.6
443.16849	0.6
443.27258	2.2
443.31296	1.9
460.31409	7.8
461.17807	100.0
461.31860	13.6
462.18149	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	461.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.2
56.96559	24.2
57.07079	4.9
67.05489	5.9
69.03419	4.2
69.07058	9.6
70.54640	6.9
70.54994	5.5
74.10236	4.0
75.12157	4.0
79.05488	8.9
81.07054	25.3
83.08665	9.5
84.96026	6.9
91.05476	6.4
93.07072	14.6
95.08607	17.4
97.06548	5.2
98.97590	41.9
100.11264	4.6
105.07026	15.3
105.92094	4.2
107.08608	10.2
109.06512	8.4
109.10126	9.1
110.97571	13.3
112.99033	4.3
113.09644	10.4
116.98613	23.2
119.08570	6.0
121.10228	9.9
123.11711	36.8
128.98631	14.3
131.08554	13.8
133.10112	9.9
137.06003	10.1
141.12746	15.4
143.08543	6.2
145.10103	13.1
146.99673	5.8
157.10077	8.7
158.99683	11.2
159.08055	7.8
159.90511	7.1
161.01178	5.7
170.99605	9.5
171.08101	6.7
173.09581	9.8
177.00729	10.0
181.10197	6.5
185.13235	7.9
189.00815	7.1
199.14850	7.2
210.14906	5.0
211.11324	4.6
219.01814	14.0
237.02840	27.7
271.16983	5.4
283.17377	5.8
287.16327	12.5
301.17996	22.1
329.12744	11.6
341.12552	4.9
341.20895	6.3
347.13821	35.3
355.22556	14.0
425.25665	7.2
425.31198	27.0
443.27209	12.8
443.31940	14.1
461.17514	100.0
461.27655	10.0
462.17606	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	461.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	14.4
56.96545	16.4
57.07070	4.4
67.05493	10.2
67.32576	3.8
69.03403	4.2
69.07042	9.4
70.27324	8.4
71.04948	4.3
79.05479	6.7
80.77618	3.8
81.07055	28.3
83.08595	10.6
84.96030	7.9
91.05428	8.8
93.07033	14.4
94.07422	3.3
95.04956	6.2
95.08578	17.4
97.06503	6.6
98.97572	50.2
99.08090	3.6
100.11229	9.2
105.07003	14.6
107.08573	14.2
109.06496	6.0
109.10139	7.7
110.97546	13.5
113.09618	4.3
116.98605	22.5
119.08569	11.7
121.06465	5.7
121.10117	7.4
123.08070	8.1
123.11691	34.5
128.97614	3.7
128.98578	12.3
129.06990	6.7
129.37372	3.4
131.00142	4.8
131.04907	3.9
131.08557	16.9
133.10080	6.9
134.99574	5.9
135.11607	4.2
137.05965	12.1
138.67026	3.5
141.07076	4.3
141.12674	10.2
143.00055	6.3
143.08565	7.3
145.10083	11.0
146.99641	10.5
147.04355	5.9
147.11638	5.6
149.09610	3.6
151.07402	4.3
152.98582	3.9
157.10086	8.7
158.99614	10.4
159.08008	8.1
159.11653	7.7
167.08624	4.0
169.10002	4.2
170.99619	8.2
171.11684	5.9
173.09602	9.1
177.00667	9.9
177.12616	3.5
181.10089	4.3
185.13199	6.8
189.00652	9.5
197.13257	6.0
199.14746	8.5
201.00664	5.0
211.14867	4.2
213.12659	4.7
219.01730	16.3
223.11139	3.7
225.12622	5.8
232.88737	3.6
237.02837	31.0
238.09108	3.7
265.15939	3.9
287.16296	8.3
301.17886	26.6
311.19559	3.8
329.12622	5.8
343.22644	5.3
347.13705	34.3
348.14072	4.5
352.08029	3.4
355.22644	11.9
389.24719	4.0
407.25647	5.0
425.30933	30.3
443.26511	4.7
443.31454	14.6
461.17477	100.0
461.28094	8.7
462.16971	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	461.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
61.22842	0.2
67.05489	0.8
69.03423	0.6
69.07061	4.9
70.81688	0.4
71.04980	0.3
73.04704	0.3
79.05482	0.9
80.17846	0.3
81.07048	3.1
83.08643	0.3
85.06536	0.3
86.09698	0.4
91.05466	0.9
92.17178	0.2
93.07057	1.3
95.04953	0.7
95.08619	0.6
97.02897	0.3
97.06532	1.3
99.08081	1.2
104.23017	0.3
104.85006	0.2
105.07008	1.6
107.08575	0.8
109.06491	0.6
109.10133	0.4
111.08100	0.3
117.06971	0.3
119.04946	0.5
119.08564	0.7
121.06499	0.7
121.10130	0.6
121.14397	0.3
123.08072	0.8
125.09614	0.4
127.11233	0.4
128.06206	0.4
129.06996	0.3
131.08565	0.7
133.10126	0.9
135.08057	0.5
137.05949	0.6
137.09532	0.3
143.08580	0.8
145.10109	1.1
147.04367	0.7
147.08031	0.6
147.11679	0.4
149.09642	0.3
151.07527	0.3
153.01817	1.0
155.08661	0.3
156.05287	0.3
157.10120	0.5
159.08058	0.4
159.11646	0.4
161.09569	1.0
163.11151	0.5
165.12775	1.3
166.07678	0.3
169.10133	0.5
171.08011	0.6
171.11720	0.6
173.09593	1.1
173.13275	0.3
175.11205	0.3
181.12251	0.9
183.11702	0.5
185.13287	0.5
187.11238	0.3
189.09090	0.6
195.11658	0.6
197.09637	0.3
197.13429	0.3
199.11203	0.4
201.12645	0.4
205.04707	8.2
205.06541	0.5
209.13223	0.3
211.11243	0.5
213.12781	0.8
225.12814	0.7
231.13837	0.6
235.14789	0.4
237.12724	0.7
239.14429	0.3
241.12373	0.5
253.15955	0.6
266.07639	1.8
267.08350	0.4
272.90482	0.3
279.15881	0.3
281.15323	1.0
299.16360	1.5
301.18018	0.5
311.20013	0.7
317.17590	1.0
327.19690	0.4
329.15689	3.0
329.21155	0.7
345.20691	0.5
347.22025	0.3
369.20624	0.6
387.21677	1.6
389.25089	0.3
407.25748	1.4
425.26740	2.5
431.12683	0.3
443.27789	3.9
461.14420	5.0
461.19894	100.0
461.28848	6.0
462.14203	0.5
462.20187	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	461.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
61.22842	0.2
67.05489	0.8
69.03423	0.6
69.07061	4.9
70.81688	0.4
71.04980	0.3
73.04704	0.3
79.05482	0.9
80.17846	0.3
81.07048	3.1
83.08643	0.3
85.06536	0.3
86.09698	0.4
91.05466	0.9
92.17178	0.2
93.07057	1.3
95.04953	0.7
95.08619	0.6
97.02897	0.3
97.06532	1.3
99.08081	1.2
104.23017	0.3
104.85006	0.2
105.07008	1.6
107.08575	0.8
109.06491	0.6
109.10133	0.4
111.08100	0.3
117.06971	0.3
119.04946	0.5
119.08564	0.7
121.06499	0.7
121.10130	0.6
121.14397	0.3
123.08072	0.8
125.09614	0.4
127.11233	0.4
128.06206	0.4
129.06996	0.3
131.08565	0.7
133.10126	0.9
135.08057	0.5
137.05949	0.6
137.09532	0.3
143.08580	0.8
145.10109	1.1
147.04367	0.7
147.08031	0.6
147.11679	0.4
149.09642	0.3
151.07527	0.3
153.01817	1.0
155.08661	0.3
156.05287	0.3
157.10120	0.5
159.08058	0.4
159.11646	0.4
161.09569	1.0
163.11151	0.5
165.12775	1.3
166.07678	0.3
169.10133	0.5
171.08011	0.6
171.11720	0.6
173.09593	1.1
173.13275	0.3
175.11205	0.3
181.12251	0.9
183.11702	0.5
185.13287	0.5
187.11238	0.3
189.09090	0.6
195.11658	0.6
197.09637	0.3
197.13429	0.3
199.11203	0.4
201.12645	0.4
205.04707	8.2
205.06541	0.5
209.13223	0.3
211.11243	0.5
213.12781	0.8
225.12814	0.7
231.13837	0.6
235.14789	0.4
237.12724	0.7
239.14429	0.3
241.12373	0.5
253.15955	0.6
266.07639	1.8
267.08350	0.4
272.90482	0.3
279.15881	0.3
281.15323	1.0
299.16360	1.5
301.18018	0.5
311.20013	0.7
317.17590	1.0
327.19690	0.4
329.15689	3.0
329.21155	0.7
345.20691	0.5
347.22025	0.3
369.20624	0.6
387.21677	1.6
389.25089	0.3
407.25748	1.4
425.26740	2.5
431.12683	0.3
443.27789	3.9
461.14420	5.0
461.19894	100.0
461.28848	6.0
462.14203	0.5
462.20187	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91412	0.9
51.02380	1.2
53.03942	6.2
55.01875	6.2
55.02091	1.1
55.05508	28.0
56.05847	0.8
57.03434	8.1
57.07070	2.0
61.02903	0.8
62.08134	0.8
64.52743	0.9
65.03936	3.8
67.05501	75.7
68.05813	1.1
69.03430	4.5
69.06705	1.9
69.07064	25.7
71.01329	1.1
71.04993	7.3
79.05491	68.5
81.03414	100.0
81.07052	87.3
81.07560	1.3
81.77391	0.9
82.07370	1.8
83.04976	13.5
83.08615	32.0
84.08951	1.0
85.02879	1.6
85.06552	5.4
87.49641	1.0
91.05475	59.4
93.07040	57.7
94.07374	1.6
95.04964	46.8
95.08601	24.7
96.05300	1.3
97.02873	2.0
97.06521	11.4
97.10172	8.7
98.22701	2.1
99.08092	3.0
103.05489	2.5
105.04519	4.2
105.07024	33.0
107.04951	14.8
107.08588	31.4
109.06513	8.8
109.10148	8.2
111.08076	13.0
113.05980	1.3
115.05439	5.1
116.06264	1.2
117.07004	16.8
118.07352	1.0
119.04931	2.2
119.08572	24.9
120.08890	0.9
121.06514	10.8
121.10137	21.7
123.08066	3.4
123.11692	2.5
125.09615	6.9
127.07581	1.0
128.06223	3.7
129.06998	21.8
131.04877	2.1
131.08563	26.7
133.06474	8.0
133.10117	14.1
135.08035	5.2
135.11668	8.4
137.06000	1.0
137.09657	2.6
139.17586	1.0
141.06992	2.4
142.07777	3.4
143.08577	7.3
145.06474	5.7
145.10114	7.2
146.10475	1.1
147.08049	6.6
147.11681	10.5
149.09647	7.2
149.13243	28.9
150.13625	1.3
151.11238	1.1
155.08546	5.3
157.06519	1.4
157.10123	12.9
159.08057	3.6
159.11687	12.2
161.09589	2.4
161.13319	1.2
163.11246	2.5
165.12733	2.8
167.08720	1.4
169.10132	3.5
171.08080	2.0
171.11594	4.6
173.09604	1.6
173.13263	2.0
175.11205	10.8
177.12732	6.6
181.10092	2.1
183.11700	3.1
185.09755	0.9
185.13268	2.6
187.11168	1.0
189.11211	3.5
189.12708	1.3
193.12244	35.7
194.12625	1.1
195.13763	7.1
197.13274	2.1
199.14851	2.7
201.12672	1.5
203.14362	1.2
205.12210	1.2
207.13745	1.1
209.13318	1.1
213.12901	2.0
213.14807	1.9
215.14323	2.1
217.15892	3.5
219.13753	1.8
225.12694	1.4
231.13820	1.7
239.14304	1.1
243.13870	1.3
249.14774	5.3
267.15897	1.2
273.18530	1.7
275.16446	1.1
277.18005	0.8
323.23724	0.9
341.24738	2.6
343.22672	2.9
351.23178	8.0
359.25903	1.1
369.24124	15.5
370.24496	1.6
387.25134	7.6
405.26138	1.9
417.26465	3.3
425.26743	1.7
443.27740	13.1
444.27985	1.6
461.28925	95.4
462.29379	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16588	1.1
51.02356	1.7
53.03936	5.1
53.38627	1.2
54.27366	1.1
55.01864	5.2
55.05258	1.8
55.05507	27.6
57.03437	12.3
57.07059	1.8
63.60764	1.2
65.03935	6.1
67.05498	88.4
68.05809	1.7
69.03416	3.0
69.07063	20.3
69.89005	3.4
71.01356	2.3
71.04981	5.3
77.03925	3.5
79.05486	100.0
80.05825	1.5
81.03411	16.3
81.07047	71.2
83.04967	16.9
83.08609	12.8
85.06532	4.0
91.05473	79.0
92.05861	1.3
93.07036	84.4
95.04961	31.1
95.08019	2.4
95.08603	34.2
97.06519	14.0
97.10163	9.9
97.69188	1.1
99.08073	2.5
103.05434	2.8
105.04483	5.2
105.07015	45.8
107.04946	8.8
107.08580	36.4
109.06503	5.7
109.10137	11.9
111.08080	4.6
113.84785	1.2
115.05441	3.9
116.11092	1.2
117.07020	19.9
119.08565	30.9
121.06499	8.9
121.10117	11.9
123.08052	6.0
123.25023	1.4
125.09639	4.4
128.06181	4.9
129.06995	22.3
130.07741	1.6
131.08553	20.7
133.06506	5.0
133.10118	17.6
135.08078	2.9
135.11679	31.4
135.12646	2.2
137.09584	1.4
141.06985	5.3
142.07684	2.1
143.08559	17.0
145.06461	5.1
145.10124	20.5
147.08020	4.2
147.11678	26.8
148.11894	1.2
149.09608	2.9
149.13261	4.1
151.11191	2.5
153.07021	1.3
155.08524	8.4
157.06465	1.5
157.10144	7.1
159.08063	2.3
159.11668	7.5
161.09578	6.2
161.13269	10.0
163.11215	6.9
165.06978	1.5
167.08583	3.9
169.10092	4.5
171.11664	21.7
171.76724	1.2
173.09586	1.9
173.13078	1.2
175.11156	2.2
176.25771	1.4
177.12805	1.6
181.10075	2.0
181.12190	4.7
183.11655	4.5
185.13264	1.4
186.34294	1.3
189.11241	2.0
189.12666	6.7
193.12259	2.1
195.11667	2.6
195.13730	1.5
197.01204	1.3
197.13222	2.5
199.11153	1.6
207.11884	1.7
207.13751	21.1
209.13205	3.4
211.11256	1.8
211.14914	1.8
212.63144	1.2
215.14325	2.9
217.15926	3.0
220.92456	1.5
221.13321	3.6
225.14809	2.6
227.12798	2.1
233.15373	2.2
235.14792	1.5
239.14343	2.8
253.15848	1.7
257.15381	3.2
323.23523	2.5
333.22021	3.1
341.24408	3.1
351.23212	12.6
352.23535	1.6
369.24313	12.6
387.25137	4.4
425.26660	2.0
443.27789	15.8
461.28912	66.1
462.29160	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	461.2907
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
50.75460	1.4
53.84151	1.3
55.01868	3.5
55.05504	4.7
56.09547	1.8
57.03432	4.5
57.07060	5.6
67.05495	20.8
69.03436	2.9
69.07058	13.2
70.71777	3.3
71.04974	6.0
72.23408	1.7
79.05499	6.8
81.03417	1.7
81.07051	16.4
83.04974	7.1
84.05332	2.2
85.02883	2.5
85.06536	36.2
87.04478	1.6
91.05471	12.8
93.07033	21.3
95.04966	13.3
95.08605	18.6
97.06533	6.6
97.10159	1.9
99.08067	1.9
105.07018	20.4
105.35995	1.6
107.04939	1.8
107.08574	14.0
109.06521	9.9
109.10136	4.3
111.08070	2.8
113.05984	16.6
113.09631	2.4
115.07582	6.9
117.07038	3.8
119.04926	2.6
119.08566	12.0
121.06474	15.3
121.10109	8.0
123.04444	2.6
123.08054	44.6
123.11679	2.1
125.09608	6.9
128.06187	3.7
129.07013	4.5
131.08522	13.3
133.10100	11.0
135.08026	12.5
135.11691	3.9
137.05965	5.9
137.09613	13.9
141.07013	2.4
141.09094	5.0
142.07750	2.4
143.08577	11.0
143.10710	4.4
145.06459	2.0
145.10106	18.3
147.08066	8.1
147.11714	9.5
149.09608	6.2
151.11156	2.3
153.01865	2.4
155.08478	7.7
157.10097	10.1
158.07303	1.6
159.08044	8.4
159.10220	3.9
159.11696	9.1
161.09616	9.5
161.13240	2.0
163.11183	5.3
166.07628	1.5
167.08549	2.2
169.10097	6.4
171.08054	9.0
171.11685	6.7
171.15376	1.9
173.09592	30.8
173.13210	10.7
175.11197	9.1
175.14833	1.9
177.12796	2.7
181.10158	5.0
181.12167	2.3
182.10873	3.0
183.11679	6.8
185.09648	5.4
185.13264	6.2
187.11172	6.2
187.14830	3.1
189.09073	6.7
189.12701	2.3
191.10646	14.0
193.10170	1.9
193.12248	2.9
193.15814	2.6
194.16209	2.3
195.11726	8.5
195.13785	24.2
197.09621	4.5
197.13243	4.5
198.10408	4.0
199.11165	6.0
199.14804	3.4
201.12724	5.9
207.10078	2.8
207.11774	3.0
207.51814	1.5
209.11554	2.6
209.13268	5.3
211.11179	4.9
211.14723	3.2
213.12721	17.3
215.14247	13.7
219.13695	2.6
221.13316	3.1
223.11133	3.6
223.14801	3.5
225.12730	9.2
227.14226	5.9
229.12259	2.7
231.13779	25.3
233.13268	2.0
233.15396	1.9
235.14641	2.9
237.12680	2.8
237.16403	4.5
239.14247	7.5
241.15950	2.3
243.13860	5.6
248.78307	1.6
249.14818	46.5
249.17233	3.3
250.13318	2.1
251.14342	3.0
253.15782	3.5
255.17300	7.5
265.15714	14.0
267.17627	1.7
269.18756	1.5
273.18546	1.9
279.15573	1.7
281.15338	2.1
283.16907	20.9
284.17514	4.2
293.18939	4.6
295.20587	3.7
297.17975	1.6
299.16479	5.0
301.17944	75.0
302.18674	10.0
311.19940	8.2
313.21576	5.9
319.18887	2.8
329.21094	11.9
330.21964	1.6
331.22849	10.5
337.21490	1.9
343.22641	3.0
349.21396	4.0
353.20969	3.8
357.20578	4.3
367.22662	6.7
371.22128	94.8
372.22482	5.5
373.23730	2.8
385.23691	25.8
386.23904	2.4
389.24561	8.8
397.27112	1.6
404.83252	1.6
407.25922	17.2
413.26971	2.3
415.28091	1.7
425.26804	40.5
426.27023	5.0
443.27890	100.0
444.28397	10.2
461.19662	21.1
461.28873	58.7
462.20505	1.7
462.29266	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
56.03814	0.6
57.07054	0.9
58.20866	0.6
65.03917	0.8
67.05504	3.5
69.03412	1.4
69.07054	1.9
69.35037	1.3
69.35426	1.4
71.04990	7.8
79.05487	4.2
81.07051	4.9
83.04944	0.8
85.06520	1.6
91.05453	4.2
93.07043	9.5
95.04953	3.1
95.08579	4.2
97.06520	2.3
100.65741	0.6
105.03382	0.9
105.07018	7.2
107.04947	0.7
107.08573	4.8
109.06496	8.5
109.10120	1.6
111.08097	1.1
113.05992	9.5
115.05472	0.7
117.07010	2.1
119.04935	1.3
119.08556	5.3
121.06492	5.9
121.10130	2.9
123.04398	0.6
123.08055	37.5
125.09637	2.9
128.06172	1.2
129.06981	1.9
130.07796	0.7
131.08549	8.1
133.06473	1.1
133.10143	3.6
135.08038	2.5
135.11690	1.2
137.05972	1.4
137.09584	1.6
141.06880	0.8
141.09125	1.7
142.07820	0.9
143.08522	6.5
145.06482	2.2
145.10129	8.3
147.08026	4.3
147.11673	2.0
149.09596	3.0
155.07298	0.6
155.08528	2.5
156.09244	0.9
157.10063	4.2
158.07243	1.1
159.08022	4.2
159.11687	3.4
160.08780	0.6
161.09630	5.0
163.11096	2.8
165.06908	0.8
166.07796	0.8
167.08539	1.1
168.09317	0.7
169.10118	1.8
171.08008	4.0
171.11652	3.2
173.09610	11.4
173.13243	7.8
174.10336	0.7
175.11134	3.1
179.10699	0.9
181.10176	1.6
182.10927	1.4
183.08054	0.8
183.11652	2.8
185.09579	2.9
185.13252	2.6
187.11176	2.6
187.14745	0.8
189.09117	2.2
191.10709	4.4
193.12233	1.8
195.11710	1.7
195.13765	10.6
197.09586	1.1
197.13258	3.9
198.10367	1.0
199.11163	2.6
199.14836	1.3
200.11864	1.2
201.12724	5.4
203.10591	0.7
203.14261	0.8
207.11740	1.4
207.13840	0.6
209.09590	1.0
209.13339	1.5
211.11183	2.1
213.12743	5.0
215.14267	10.7
216.14581	0.8
217.12077	0.8
219.11656	0.7
219.13733	0.9
223.11192	1.2
223.14749	1.0
225.12709	2.5
227.14305	1.9
229.12239	1.6
231.13766	10.1
235.14790	1.4
237.12724	1.1
237.16487	1.3
239.14302	1.7
241.15749	1.4
243.13809	1.2
249.12531	1.3
249.14793	12.1
251.14165	1.1
253.15852	2.2
255.13750	0.6
255.17474	2.0
263.14252	1.3
265.15854	4.6
269.15405	1.1
271.16867	0.8
279.17313	1.0
281.15329	1.9
283.17017	5.4
284.17581	1.2
293.18887	3.3
295.20337	1.3
299.16373	1.2
301.17880	10.0
302.18613	2.4
303.17108	1.4
304.18237	1.0
307.20569	0.6
311.20062	6.7
313.21506	1.9
315.19720	0.9
321.18466	4.4
329.21036	5.2
331.22702	0.9
335.19827	0.8
337.21500	1.8
339.19553	4.7
340.19968	0.7
353.20844	3.6
355.22626	1.7
357.20392	4.7
357.23941	0.5
371.22122	100.0
372.22440	7.7
373.23737	1.2
385.23141	0.7
389.24625	2.3
407.25775	4.6
425.26761	10.7
426.27264	1.4
443.27878	27.0
444.28094	3.3
461.28903	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	461.2894
Annotation	Hydrocortisone caproate
Peak:m/z	Relative Intensity
51.65686	1.2
55.05498	2.1
60.58914	1.3
67.05484	3.7
69.07063	28.1
69.99503	2.9
69.99833	1.8
70.37817	1.5
71.08605	1.7
79.05489	7.6
81.07051	62.4
83.04955	1.6
85.27123	1.3
91.05453	2.4
93.07038	5.5
95.04383	1.3
95.04977	4.3
95.08600	4.6
97.04980	1.5
97.06515	6.3
99.04413	2.0
99.08089	35.1
103.62629	1.6
105.07007	4.1
107.04917	2.4
107.08587	5.9
109.06505	3.0
109.10139	7.2
113.09653	4.0
117.07030	2.3
119.08564	3.3
121.06471	1.5
121.10129	1.7
123.08057	2.1
125.09641	2.0
127.11189	2.3
128.06187	2.1
129.06972	3.2
131.08569	3.9
133.10089	2.2
135.04404	2.7
137.05986	2.4
143.08562	5.2
145.10130	4.1
147.08031	3.5
155.08540	3.0
157.10146	3.9
159.08054	6.2
159.11671	2.6
161.09628	4.2
169.10168	2.3
171.08022	8.2
171.11649	2.7
173.09622	5.2
173.13290	4.7
181.10066	2.2
183.11635	2.8
185.09595	3.2
185.13271	4.0
187.11314	1.4
189.09117	10.3
195.08089	2.3
195.11787	1.8
197.09566	2.6
197.13232	2.3
199.11217	5.1
201.12683	2.7
207.10085	3.2
209.13228	1.9
211.11163	4.8
213.12560	2.2
219.11740	1.8
223.11197	3.0
227.14217	2.5
229.12262	4.4
229.15933	1.9
239.14212	1.8
245.15425	1.8
253.15868	2.3
255.13641	1.8
281.15436	5.0
285.18390	1.8
299.16354	2.1
299.19934	1.7
309.18533	4.7
311.20096	4.5
317.17490	2.5
325.21539	2.2
327.19485	8.0
343.22498	2.0
345.20541	3.5
363.21661	4.4
367.22433	1.5
390.64111	1.3
407.25745	8.5
425.27036	7.9
443.27850	23.5
444.27792	3.1
461.28943	100.0
462.29245	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62317	1.2
54.10653	1.2
55.01884	2.5
55.05504	3.9
57.07058	1.5
67.05503	6.5
69.03397	1.4
69.07078	7.2
69.13789	7.2
71.04631	1.8
71.04993	24.5
76.79631	1.1
79.05504	8.0
81.03407	1.8
81.07055	15.5
83.04978	3.1
83.08624	2.4
83.87160	1.1
85.02895	1.2
85.06547	2.8
85.86706	1.2
87.73215	1.2
89.51600	1.1
91.05465	9.5
91.90451	1.2
93.07027	16.2
95.04953	3.8
95.08590	12.5
97.06526	12.6
98.22935	6.3
99.08071	3.6
105.03413	1.5
105.07026	15.9
107.04946	2.5
107.08601	23.4
109.06509	6.4
109.10157	16.0
111.08053	2.3
113.05997	6.2
115.07569	15.7
117.06994	3.7
119.04974	1.9
119.08578	12.8
121.06488	7.2
121.10123	12.9
123.08086	8.3
123.11678	11.5
125.05990	3.3
125.52473	1.3
127.07510	2.8
129.06960	2.4
130.07841	1.5
131.08562	14.1
133.06477	1.7
133.10144	10.2
135.08041	12.1
135.11713	3.8
137.09581	4.3
141.09117	7.3
142.07805	1.3
142.66083	1.2
143.08577	6.1
145.06471	4.1
145.10123	20.7
147.08047	15.4
147.11658	6.3
149.09608	6.1
149.13251	1.6
151.11057	1.5
155.08521	4.9
156.09218	1.5
157.10112	5.9
158.07263	3.1
159.08173	2.7
159.10327	1.4
159.11702	10.3
161.09633	11.5
161.13249	6.3
163.11165	4.8
169.10124	2.8
171.08047	5.5
171.11670	3.6
172.08821	2.0
173.09613	27.9
173.13255	6.1
175.11165	4.6
175.14841	3.1
177.23077	1.4
181.10214	2.9
183.11690	3.4
185.09660	3.2
185.13257	4.5
187.11182	9.0
187.14813	2.8
189.09119	10.1
189.12746	1.9
191.10649	24.8
195.11786	2.6
197.09578	2.3
197.13269	5.2
199.11208	4.3
199.14931	1.9
201.12709	2.8
203.14355	1.5
205.12231	9.5
209.11662	10.4
209.13411	1.8
211.11176	4.1
213.12836	1.7
213.48993	1.3
215.14320	4.1
221.13310	1.9
223.11340	1.8
223.13110	6.2
225.12778	3.7
225.16315	2.0
226.13432	1.8
227.14307	3.1
229.12331	2.3
229.15965	2.2
231.13812	2.5
233.13310	1.4
233.15425	2.3
235.14816	1.6
237.12790	1.8
237.16368	2.3
239.14311	2.0
239.17987	1.7
241.15892	5.6
243.13803	2.0
243.17479	2.6
253.15942	2.2
255.17383	2.7
265.15921	3.6
267.17505	3.0
269.19031	2.7
279.17352	2.0
281.19031	7.4
283.16888	3.8
283.20547	2.8
284.17664	5.5
285.18399	2.1
293.18964	4.8
297.18405	2.2
299.16711	2.2
299.19955	17.3
301.17960	4.7
301.21378	3.0
302.18716	10.8
303.17145	1.3
311.20026	8.9
313.21402	2.4
315.19443	1.8
317.21115	43.7
318.21576	2.3
321.18381	5.0
329.21078	10.0
331.19083	2.8
337.21335	2.1
339.19553	3.1
353.21002	4.7
355.22800	1.6
357.20602	3.6
371.22113	11.2
389.24722	2.8
407.25632	6.9
425.26541	10.4
431.23926	1.8
443.27213	7.7
461.28900	100.0
462.29056	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	461.2897
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
51.70200	2.1
53.03952	2.1
55.01866	3.9
55.05496	8.3
57.03436	3.7
57.07082	9.6
58.38048	2.0
59.84216	1.9
65.03942	2.3
67.05505	30.2
69.03429	3.9
69.06713	2.3
69.07067	32.4
71.04971	8.6
73.06586	2.1
75.62032	1.8
79.05489	10.8
81.07055	21.5
83.04967	4.2
85.06543	47.3
91.05478	20.8
93.07054	19.8
94.90521	1.8
95.04950	11.4
95.08607	35.8
97.06544	11.2
105.03371	1.9
105.07024	21.7
107.04946	3.2
107.08595	16.4
109.06501	7.4
109.10150	6.0
111.08079	3.6
113.05998	23.2
113.09641	57.8
115.05479	2.3
115.07564	8.7
117.07002	7.6
119.04938	4.6
119.08570	17.8
121.06482	8.9
121.10146	8.9
123.08063	28.5
123.11703	2.6
125.09605	5.7
127.11134	2.1
128.06204	5.7
129.06989	5.9
130.07780	3.2
131.07016	3.0
131.08557	15.9
133.06470	2.7
133.10110	10.0
135.08038	6.9
135.11658	5.0
137.05959	17.7
137.09584	4.2
139.07512	2.7
141.09116	11.9
142.07634	2.1
143.08556	16.7
143.10669	4.4
145.06480	2.7
145.10114	23.1
147.08035	9.9
147.11670	6.3
149.09608	3.4
150.04546	2.1
151.07545	14.2
155.08556	6.8
156.09207	2.2
157.10141	9.3
158.07283	3.6
159.08047	8.4
159.10170	6.7
159.11681	11.5
161.09593	8.9
161.13239	2.8
163.11128	7.6
165.12624	3.0
167.08607	3.9
169.10121	6.7
171.08028	9.8
171.11662	5.7
173.09631	33.0
173.13237	6.6
175.11166	7.3
177.09100	5.2
177.12732	5.8
179.08533	3.1
180.09212	2.1
181.10086	5.4
181.12228	2.8
183.08141	4.0
183.11658	5.6
185.09636	4.0
185.13191	5.9
187.07602	2.6
187.11171	8.2
189.09158	4.9
191.10638	19.3
193.10287	2.1
193.12163	2.5
195.11693	6.4
195.13820	8.5
197.09525	3.4
197.13263	6.3
198.10347	4.0
199.11192	6.0
201.12720	6.6
205.12303	2.7
207.11745	3.0
209.09837	2.9
209.11604	4.6
209.13321	3.9
211.11047	3.8
211.14693	3.3
213.12737	11.8
215.14250	5.3
221.13208	4.2
223.11180	3.7
223.14830	3.3
225.12708	6.7
227.14337	5.5
231.13763	13.2
233.15276	2.2
235.14709	4.0
237.12686	2.9
237.16359	3.9
239.14291	5.2
240.14815	2.1
249.14778	17.4
253.15877	3.4
255.17455	5.5
263.14377	3.1
265.15869	15.0
267.17480	2.5
277.16220	2.0
281.15320	3.7
283.16940	18.0
285.11090	5.4
285.18460	3.4
293.18890	2.5
295.20551	6.1
297.18497	2.3
299.16357	9.4
301.17960	55.4
302.18460	5.8
303.19473	8.4
311.20090	7.7
313.21674	9.5
329.21082	10.5
331.22693	11.6
339.23096	2.2
347.22128	9.9
367.22531	3.2
369.20639	3.0
371.22861	4.5
379.26370	3.2
385.23642	13.4
389.24716	8.7
397.27283	3.0
407.25784	21.9
413.30527	4.2
422.16705	2.2
425.26706	49.2
426.26962	3.7
443.27905	90.1
444.27972	10.1
461.17725	10.1
461.28854	100.0
462.29083	6.7
483.81085	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	461.2896
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03927	1.7
54.37667	1.3
55.01858	5.0
55.05508	9.5
55.73856	1.4
57.03430	10.2
57.07069	16.8
65.03895	1.8
67.05162	2.4
67.05501	41.6
69.03425	2.7
69.06705	2.7
69.07064	39.0
69.13607	7.3
71.04981	14.6
77.03934	1.7
79.05494	11.0
81.07052	24.8
83.04964	3.3
83.08611	2.0
85.06538	97.5
86.06890	1.5
91.05463	15.1
93.07037	21.8
95.04960	16.9
95.08599	21.4
97.06545	12.6
97.10188	1.5
98.22707	3.2
99.04440	1.9
99.08074	6.4
105.04489	1.7
105.07023	27.4
107.04925	2.2
107.08582	14.1
109.06506	7.2
109.10118	8.6
111.08031	2.7
113.05997	39.6
113.09616	7.1
113.57076	1.5
115.07568	12.2
117.06990	6.3
119.04919	4.3
119.08577	15.6
121.06479	12.1
121.10137	14.3
123.08060	22.1
123.11674	4.6
125.09602	7.1
128.06300	1.8
129.06920	3.2
130.07716	2.6
131.07022	3.5
131.08572	17.7
133.06445	2.6
133.10126	13.9
135.08012	9.6
135.11690	4.2
137.05962	4.6
137.09631	6.0
138.11478	1.7
139.11157	1.9
141.09094	7.9
142.07664	2.2
143.08531	14.2
143.10672	3.3
145.06459	4.1
145.10115	25.9
147.08038	11.9
147.11684	8.5
149.09622	4.3
151.07561	4.6
155.08539	10.7
156.09187	1.6
157.06407	2.4
157.10097	10.7
158.07254	4.3
159.08046	6.1
159.10168	5.2
159.11682	9.8
161.09593	10.5
161.13234	2.9
163.07469	1.8
163.11191	11.2
165.12837	2.5
167.08565	2.2
169.10104	8.1
171.07974	9.2
171.11647	6.8
173.09595	41.4
173.13211	11.6
175.11198	4.1
175.14777	3.0
177.09125	2.0
177.12708	5.1
179.08560	2.6
179.40567	1.7
181.10074	3.9
181.12277	4.1
183.08049	1.9
183.11676	6.3
185.09633	6.9
185.13213	9.6
186.18073	1.7
187.11179	7.9
189.09094	6.2
189.12682	2.3
191.10655	26.3
193.10110	3.9
193.12119	2.9
194.10852	2.6
195.11688	9.7
195.13773	13.4
197.09650	3.6
197.13219	5.7
198.10355	4.8
199.11069	7.8
199.14738	2.8
201.12721	5.7
203.14366	1.7
205.12256	2.0
207.11703	2.6
209.09712	2.7
209.11702	6.7
209.13261	4.9
210.10390	2.4
211.11098	7.4
211.14795	4.7
213.12753	17.4
214.13051	2.1
215.14273	2.7
217.12268	2.3
219.11658	2.5
219.13721	2.7
221.13139	4.5
222.14131	2.0
223.11194	3.5
225.12695	10.5
227.14261	5.7
229.12222	1.9
231.13786	16.0
235.11070	1.9
235.14789	3.6
237.12633	3.6
237.16383	5.7
239.14313	7.2
239.17943	1.8
243.13844	3.2
243.17125	1.6
247.14922	3.3
249.14769	23.3
249.16779	1.6
250.13297	2.6
251.14212	2.4
251.17900	3.0
255.14879	1.5
255.17316	8.6
261.18698	2.1
263.14328	2.6
265.15833	17.1
267.17325	2.5
269.19061	2.6
271.17023	3.6
279.17487	2.2
281.15265	4.1
283.16943	26.1
284.17596	2.6
285.11166	3.7
285.18628	2.6
289.19418	2.2
293.19025	4.4
295.20490	9.9
299.16345	5.1
301.17960	77.8
301.21213	2.7
302.18381	4.4
303.19534	2.9
305.18808	2.3
311.20160	11.0
313.21509	12.3
329.20950	16.1
331.22775	20.2
333.22211	1.7
339.19638	1.9
347.22174	16.7
349.21542	4.5
353.21384	1.8
361.25229	1.5
367.22693	9.0
369.20175	1.7
371.22784	3.3
373.23544	2.2
385.23691	20.5
389.24628	9.7
407.25717	21.7
408.25812	2.1
425.26740	37.1
426.26987	2.9
443.27859	89.3
444.28098	7.0
460.28610	1.5
461.28867	100.0
462.29071	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	461.3624
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03948	5.2
55.01868	7.9
55.05511	51.1
57.03436	12.4
57.07066	8.4
65.03934	6.6
65.39628	2.5
66.69242	3.0
67.05502	85.3
68.80495	2.5
69.03426	4.4
69.07066	45.9
70.03057	2.9
70.03396	5.9
71.04984	7.4
79.05489	75.4
81.03418	48.8
81.07054	100.0
83.04978	14.8
83.08624	24.7
85.06541	7.3
91.05472	65.1
93.07042	90.0
95.04961	33.8
95.08603	72.4
97.06535	11.9
97.10164	23.7
98.23380	3.1
103.05442	2.5
105.04479	4.4
105.07036	59.5
107.04953	11.8
107.08591	85.9
109.06540	8.1
109.10157	35.6
110.20763	2.5
111.08098	11.9
115.05479	4.0
117.07010	19.9
119.08578	82.9
121.06524	12.6
121.10132	54.6
121.10960	2.7
123.08064	6.2
123.11682	16.8
125.09636	7.7
128.06195	3.9
129.06996	25.0
131.08556	38.3
133.06468	9.0
133.10124	46.8
135.08066	8.1
135.11687	32.7
137.09650	4.0
137.13217	2.7
139.11157	14.5
141.06953	4.4
142.07816	3.0
143.08554	16.9
144.09366	4.6
145.06514	8.1
145.10118	55.4
146.10410	3.1
147.08069	5.6
147.11682	29.8
149.09645	5.5
149.13263	21.3
151.11212	4.1
153.12752	8.0
155.08563	4.0
156.09315	3.9
157.10144	25.4
159.08043	3.9
159.11691	72.7
161.09622	5.7
161.13284	18.9
163.11157	10.6
163.14821	58.1
165.12796	3.2
169.10132	11.5
171.07973	3.3
171.11662	19.1
173.09576	5.0
173.13280	18.1
175.11189	6.9
175.14780	19.0
177.12743	7.9
177.16377	8.6
181.10120	2.6
181.12196	3.1
181.15863	31.4
183.11685	8.5
185.13228	18.4
186.14027	3.8
187.11208	3.5
187.14806	15.5
189.11256	3.8
189.16360	8.8
191.14326	9.8
191.17911	4.7
193.12250	16.7
195.11794	3.0
195.13658	3.2
197.13272	8.3
199.14780	40.2
201.12778	6.4
201.16368	98.6
203.17929	7.9
205.15822	22.7
207.13828	8.1
213.16327	22.7
215.17902	22.1
217.15915	9.4
219.17441	51.3
225.16510	7.3
227.17992	7.5
229.19656	3.0
231.17505	4.2
237.18509	11.0
243.17418	26.0
255.21046	4.1
261.18494	9.7
267.20969	3.0
281.22711	5.3
333.22168	3.6
351.23300	7.5
356.34732	3.2
369.24210	15.1
387.25223	6.6
389.31848	10.5
395.32651	3.2
399.32867	2.7
407.33102	49.8
408.33423	4.9
425.34167	75.7
426.34351	4.1
443.27802	17.6
443.35138	28.6
461.12152	2.8
461.28879	74.9
461.36377	22.9
461.41946	3.8
462.29398	3.4
462.35794	3.8
462.41647	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3622
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03929	2.1
55.01847	2.2
55.05504	14.2
57.03419	2.1
57.07073	3.7
59.04984	7.5
59.67691	1.1
65.03915	1.8
67.05496	26.6
68.65077	1.1
69.03430	1.2
69.07062	28.6
69.75813	3.7
71.08612	3.1
79.05478	19.4
81.03410	2.1
81.07046	45.0
82.07338	1.5
83.04958	4.2
83.08611	12.6
85.06525	1.6
91.05463	22.2
93.07033	32.2
95.04961	4.2
95.08591	51.1
97.06495	6.6
97.10154	3.9
98.22936	3.5
103.05459	1.5
105.04494	1.2
105.07020	29.4
105.07732	1.5
107.04950	4.4
107.08575	35.4
109.06518	4.3
109.10144	31.6
111.08065	2.3
111.11704	2.6
117.06984	11.3
119.08576	19.1
120.08934	1.5
121.06524	9.3
121.10126	22.9
123.08054	4.7
123.11687	11.9
127.11141	1.6
128.06268	1.4
129.06987	7.7
131.08563	18.6
133.06474	4.0
133.10112	19.5
135.08031	3.9
135.11668	13.4
137.09610	1.4
137.13271	4.6
141.06952	2.5
142.07751	4.6
143.08562	9.8
145.06442	3.5
145.10097	17.3
145.84216	1.4
147.08003	6.5
147.11652	19.2
149.09590	4.0
149.13254	13.3
153.08879	1.2
155.08531	6.2
157.10103	17.0
159.08041	1.7
159.11674	12.8
160.08818	2.4
161.09604	6.9
161.13229	7.1
163.11180	5.3
163.14795	3.7
167.08542	2.3
169.10081	5.3
171.11650	8.0
173.09537	6.0
173.13249	6.6
175.11145	33.1
175.14780	3.9
176.11525	1.2
177.12709	2.5
181.10075	1.8
183.11670	6.1
185.13232	4.9
187.11147	2.2
187.14786	2.9
189.12737	5.9
189.16371	2.5
191.17986	2.1
193.12256	10.4
195.11702	3.2
197.13229	3.5
199.14822	3.7
201.12717	1.9
201.16325	1.8
203.14302	2.5
203.17897	2.1
205.19545	1.8
207.13853	1.7
209.13194	3.2
211.14830	6.9
215.14223	3.3
217.19530	2.2
219.20996	1.3
223.14772	2.6
225.16338	3.2
225.25572	1.5
227.14325	2.4
227.18007	1.9
229.15875	5.0
233.15332	2.1
237.16360	1.7
239.17949	2.3
243.17400	1.6
247.16891	18.3
251.17943	3.7
253.19394	1.6
254.15190	1.2
255.17380	1.4
257.15106	1.3
259.16898	1.1
259.24185	2.0
261.18359	2.7
267.21014	1.7
268.18375	1.3
269.18909	6.2
271.20538	2.0
273.18430	4.2
281.22583	1.6
285.18491	2.7
286.19281	4.9
287.20013	6.9
307.24026	1.8
325.25223	1.8
351.23154	2.6
363.30392	3.5
369.24118	3.2
381.31479	12.6
382.31744	1.9
387.25266	1.9
399.32523	95.0
400.33044	6.5
407.32968	2.7
425.34177	12.9
436.28165	1.4
443.27954	4.0
443.35049	29.7
461.29260	8.0
461.36127	100.0
462.36411	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	462.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01847	1.5
61.02915	1.1
65.03951	1.0
67.05486	1.2
69.03423	5.1
69.07079	0.8
70.06565	2.6
71.91809	0.9
73.02890	2.3
73.04745	2.7
79.01864	1.2
79.05490	1.8
81.03412	6.2
81.07021	1.6
85.02897	13.4
87.00824	2.7
91.05432	18.3
95.04973	1.2
97.02884	5.2
99.04449	2.1
100.65919	0.9
103.03922	4.9
103.05460	1.0
105.01849	2.0
105.06996	2.3
107.04955	2.5
109.02863	5.2
110.26273	0.8
111.04478	1.7
119.04927	23.9
119.10706	2.2
120.11102	1.2
121.02859	1.4
125.02354	1.2
127.03895	8.4
133.06482	6.6
135.04410	12.5
138.09189	1.0
139.03865	2.1
140.07059	1.1
145.04950	3.6
147.04393	100.0
148.04771	3.0
149.04547	1.1
151.03999	1.0
153.01822	26.7
153.03035	1.5
153.05396	5.1
159.02841	2.5
161.05974	3.6
163.03876	3.5
166.08676	2.6
167.05510	3.4
167.06830	1.1
168.06554	1.3
169.81769	0.9
171.02872	4.4
177.05437	0.9
179.07013	84.4
180.07353	3.5
181.04922	6.7
197.08090	2.6
205.04686	9.4
219.13925	0.9
221.08142	1.3
225.04210	1.2
265.14325	1.5
301.07043	2.4
301.11389	0.9
315.06985	3.1
359.02817	4.8
429.09265	1.6
462.20465	9.2
463.15836	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	462.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33883	0.4
51.02380	0.5
53.03932	0.7
53.20287	0.5
55.01847	0.4
69.03416	3.1
73.04755	0.8
73.70025	0.4
78.69486	0.4
79.01848	2.7
81.03400	7.3
85.02881	2.6
91.05788	1.3
97.02885	6.3
99.04427	0.9
102.94397	0.5
106.52673	0.5
107.01310	1.2
109.02857	4.5
125.02311	3.0
127.03896	7.4
130.36861	0.5
143.03358	4.8
145.04994	1.3
152.78151	0.5
153.01808	100.0
153.02863	4.4
154.02142	2.4
167.03381	1.8
167.05562	0.6
171.02856	14.3
191.06876	0.6
201.70598	0.6
237.03943	0.5
297.06003	9.3
315.07034	12.4
316.07471	0.5
354.06784	0.7
359.02771	0.8
444.10117	0.7
462.20029	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	462.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65092	1.6
53.03950	6.2
55.01860	9.3
55.05497	4.6
57.03434	4.4
59.04999	13.7
61.02920	3.8
67.05503	4.0
68.99780	3.3
69.03424	28.8
69.07059	15.0
71.05010	3.8
71.42931	1.7
73.02915	6.5
79.05505	5.6
79.75405	1.4
81.03413	26.0
81.07059	25.7
82.07383	2.9
83.08622	1.9
85.02898	90.9
87.00820	27.7
89.09267	1.5
91.05453	8.6
93.07059	7.2
95.04961	13.8
95.08595	4.7
97.02876	21.7
97.06531	6.0
99.04433	12.0
99.08089	14.8
100.11264	3.8
101.06050	3.7
105.01852	31.3
105.07053	6.7
107.08568	10.3
109.02869	19.8
109.06506	4.2
109.10144	3.4
111.04433	4.6
115.03909	2.9
115.05493	1.9
115.07579	2.2
117.01868	3.1
117.07023	2.4
119.08584	3.3
121.06502	5.6
121.10108	4.5
123.08086	3.8
123.11716	2.4
125.09583	12.9
127.03900	49.0
129.01843	3.2
129.05461	33.9
129.06979	2.6
131.04868	1.8
131.08536	3.8
133.10141	3.9
135.08058	2.5
137.05988	4.9
138.06743	2.8
143.08578	4.1
143.10674	5.7
145.04948	16.3
145.10133	3.7
147.02869	2.5
147.06467	3.4
147.08064	4.8
148.08823	3.8
149.06000	1.6
149.09624	6.5
151.07527	100.0
152.07886	3.0
155.08453	2.5
157.10139	1.8
159.02888	11.6
159.08096	2.6
159.11711	3.5
161.05986	2.1
161.09554	1.8
164.08391	4.0
165.09084	9.1
165.12790	10.7
169.10052	2.1
170.16275	1.5
171.02844	1.7
171.07974	2.3
171.11623	2.4
172.08763	1.8
173.06018	1.9
173.09665	7.7
177.09099	4.6
179.10652	59.8
188.08247	1.9
189.03979	2.3
189.09119	6.7
191.10678	3.9
193.12320	2.1
197.11714	70.4
203.10652	5.1
205.08649	4.1
206.09395	2.0
208.40274	1.7
209.56010	1.9
210.14948	1.9
211.11139	2.5
213.03925	2.1
217.12236	2.7
221.11646	9.1
222.66739	1.5
231.04947	13.0
233.11784	2.5
237.16486	1.7
239.12692	2.3
243.10170	3.2
245.11603	2.6
249.15005	1.8
269.11749	3.1
283.17010	3.0
285.18518	2.1
287.12772	16.3
299.16406	6.9
300.16721	3.9
301.17923	3.6
303.19464	2.3
305.13782	15.8
371.21976	6.1
391.13699	2.7
408.26068	2.1
409.14786	1.7
409.27344	3.1
426.27191	5.4
427.28610	7.7
444.28027	4.5
445.29449	27.5
462.17441	7.7
462.29272	6.5
463.30618	6.8
466.31143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.1
60.28577	5.5
60.64331	5.4
66.92092	6.2
67.05498	16.4
68.95155	5.9
69.03424	10.9
69.07061	12.5
71.04998	6.9
76.10146	5.6
76.23600	5.4
79.05491	24.3
81.03418	8.7
81.07047	27.0
82.82737	6.0
83.04996	13.0
85.02887	8.4
91.05471	18.0
93.07060	31.3
95.04964	19.2
95.08598	14.3
97.06532	14.7
99.04481	7.6
105.07040	39.6
107.04951	17.1
107.08571	28.4
109.06521	8.8
109.10178	15.9
117.07022	10.3
119.08601	11.9
121.06509	15.2
121.10150	16.1
125.05972	8.3
131.08598	12.2
133.10188	11.8
135.08002	6.7
135.11647	9.3
139.07492	7.3
145.10109	44.7
147.11687	11.1
151.07475	7.9
153.01797	6.1
154.07768	5.9
159.11653	13.0
163.11140	100.0
163.12399	7.2
173.09660	34.7
178.07277	5.7
187.11214	17.6
189.12654	7.5
191.10664	24.2
205.12305	9.4
210.10226	5.7
215.10689	20.1
233.11728	59.7
249.57993	6.2
251.12801	8.5
269.13766	9.1
301.07150	40.1
463.11969	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30222	3.9
69.03424	15.0
71.42786	5.3
73.04764	20.7
73.05219	3.5
79.05481	6.0
79.98497	4.5
81.03395	7.6
81.07032	4.6
85.02911	18.4
87.00854	5.9
89.06020	28.6
91.05858	38.2
95.04966	9.7
95.08582	6.0
97.02893	6.9
99.04469	5.8
105.06989	6.4
107.39922	4.1
109.02874	8.0
109.06511	8.7
111.04422	7.6
118.13278	4.3
119.04959	12.4
119.08572	11.9
121.06498	9.7
123.08060	7.6
127.03899	8.9
131.08591	8.0
133.06467	5.3
133.08601	9.4
133.10188	6.0
135.08067	15.8
135.70338	3.9
137.05960	4.2
138.05565	4.4
145.10208	6.1
147.04401	58.5
147.08014	5.3
153.01802	20.5
159.08076	10.0
159.11667	9.7
161.09615	8.8
167.05547	18.0
175.07526	16.3
175.11200	8.3
175.72528	4.6
177.11273	7.9
179.07050	25.7
183.11636	5.3
187.11209	10.3
196.00569	5.3
199.11156	8.3
201.12772	9.8
203.10660	7.6
205.04646	24.7
214.01724	4.8
217.12265	5.2
225.04251	9.5
235.13315	5.5
247.13272	34.9
265.14355	100.0
266.14539	5.1
282.13495	6.3
283.11484	6.1
283.17526	28.9
290.88315	4.5
301.12595	6.6
342.99631	5.6
359.02710	37.7
360.02844	6.1
429.08722	14.5
462.19843	21.2
463.17148	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16639	1.1
52.97146	1.1
53.03933	2.8
55.05507	3.9
57.03423	3.7
59.38490	1.3
67.05504	1.9
69.03416	12.6
69.14610	3.1
69.15025	5.3
71.04980	1.5
73.20020	1.1
75.04474	7.0
77.03901	1.5
79.05490	16.9
81.03415	11.5
81.07041	6.3
83.04996	1.4
85.02901	7.0
87.04455	2.7
91.05464	13.3
93.07034	81.5
94.07380	1.4
95.04955	4.7
95.08624	3.3
96.11710	1.2
97.02879	8.0
99.04425	1.5
104.02721	1.4
105.07017	11.0
107.08576	12.3
109.02876	4.4
109.06498	1.5
111.08069	5.0
117.05503	3.6
117.07014	1.6
117.56998	1.3
119.08553	15.7
121.06505	1.8
121.10131	100.0
122.10464	3.0
123.08064	3.2
123.11718	1.7
127.03903	5.5
129.05487	1.7
129.07050	1.3
131.08527	8.6
133.07593	1.5
133.10115	2.2
139.11125	2.6
145.04948	3.0
149.09599	54.1
158.62146	1.4
167.10669	26.6
167.12009	2.2
184.27180	1.3
264.58191	1.3
293.13770	11.5
311.14862	23.2
365.17645	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	1.8
69.03411	3.2
69.63580	2.8
73.04755	3.1
73.06546	0.9
74.12278	0.7
81.03410	1.3
85.02889	7.9
87.04470	3.0
89.06023	100.0
89.22478	0.8
91.05817	6.1
95.30113	0.8
97.02882	2.5
99.04544	0.8
105.92321	0.9
107.07059	2.1
109.02883	2.0
119.04964	1.0
126.94746	0.7
127.03894	2.6
130.08569	0.7
131.08606	0.7
133.08591	46.8
135.08017	1.0
135.11580	0.7
136.07587	1.0
138.05511	1.1
144.04745	1.6
145.04947	0.7
147.04384	5.6
151.09624	1.0
153.01799	4.0
163.03802	0.8
167.05556	2.8
173.13144	1.0
177.11214	18.9
177.12750	1.2
179.07021	2.8
195.12283	3.6
196.80371	0.8
205.04678	1.5
216.06371	0.9
221.13835	1.0
225.04326	1.0
239.14842	2.8
247.13295	1.2
265.14313	6.1
282.13086	0.9
283.17487	99.0
284.17868	2.7
301.07080	0.8
359.02875	4.9
429.08713	2.5
462.19699	5.5
463.17667	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	463.1235
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
51.68992	0.5
56.41034	0.6
56.96558	12.9
62.13422	0.5
69.03416	0.9
69.17483	0.5
71.43546	0.8
74.97635	0.8
76.42620	0.6
91.05805	0.6
94.93015	3.9
97.99203	1.2
98.97573	1.5
102.96837	0.6
112.00709	0.7
116.00184	0.8
121.99128	1.5
124.00705	8.1
139.00766	1.0
140.00157	10.0
142.01747	51.2
150.00716	1.2
151.00713	0.6
153.01814	0.9
154.01767	3.3
157.02794	1.3
158.01241	8.9
158.99521	0.6
159.04393	7.1
160.02797	32.6
172.02788	2.0
176.02263	1.8
177.05437	2.4
178.03853	2.9
180.97485	1.7
183.04478	0.6
185.02292	3.0
186.00732	3.9
194.01262	1.3
197.23647	0.6
198.98491	1.8
203.03369	38.6
204.01790	4.4
204.03519	0.9
212.02155	0.9
219.04330	1.1
221.04317	25.0
221.05817	3.1
222.02805	2.0
222.04713	0.8
232.03401	1.2
232.98111	3.6
237.02896	0.7
237.05441	3.8
239.06993	4.9
240.05450	0.6
240.99483	1.3
249.01627	0.7
255.06537	0.6
256.98254	0.8
257.08002	1.5
265.05048	3.2
266.03299	2.0
274.99237	1.3
277.03510	0.9
283.00723	1.0
283.03235	0.8
283.05923	20.7
284.04312	0.9
286.99341	0.8
301.07028	100.0
302.07449	2.9
303.01218	1.1
303.92749	1.0
318.98044	2.0
319.08133	7.3
321.02466	10.3
324.08627	2.2
343.08084	30.1
358.97336	2.8
359.05310	2.1
373.09183	6.2
376.98294	1.6
400.98444	0.6
403.10052	0.9
463.11954	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	463.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.7
51.02366	1.3
55.01855	0.8
57.03419	0.3
69.03432	3.0
71.01349	0.4
71.41866	0.4
73.04749	0.9
77.51057	0.4
79.01849	7.4
79.05511	0.5
81.03421	2.1
83.04987	0.6
85.02885	3.1
87.04455	0.5
91.05804	0.7
94.04182	0.5
95.01317	0.8
95.04920	0.6
97.02895	3.7
103.03947	0.6
103.05465	0.9
107.01294	1.9
107.16749	0.4
109.02847	0.6
111.04438	0.9
115.03874	0.9
115.05437	1.0
117.03366	0.4
117.07027	0.6
119.04888	1.2
121.06441	0.5
122.03606	1.5
123.04477	0.5
125.02325	3.6
127.03905	1.2
129.07018	0.5
131.04938	1.9
133.02811	1.1
137.05965	17.5
141.06976	3.5
143.03394	10.5
143.04929	0.8
144.05673	0.4
145.06447	1.1
147.04359	2.0
149.05977	4.5
151.03873	1.2
151.07565	1.1
153.01814	100.0
153.02902	6.7
154.02119	2.0
155.04866	0.6
157.06520	0.6
159.04373	0.8
160.05197	1.1
161.06009	1.2
163.07512	1.8
167.05643	0.5
167.06955	0.4
168.05600	0.4
169.05066	0.6
169.06464	4.8
171.02919	1.0
173.06020	0.7
175.07539	1.6
176.04688	0.6
177.05434	5.4
179.07005	2.3
181.02785	0.4
181.08556	0.4
183.04427	0.9
184.05243	0.5
185.05934	0.4
186.06729	1.0
187.07510	2.2
191.07018	3.7
197.05969	4.5
200.04755	0.6
201.05461	0.5
201.09096	2.4
203.07022	3.0
205.04713	8.8
205.08629	0.7
207.06464	0.5
211.07527	0.5
214.06120	1.0
215.07010	4.9
217.08632	0.8
225.05513	0.8
229.08583	8.6
233.08070	1.9
236.20415	0.4
245.08064	1.3
247.09738	0.9
255.04968	0.9
257.08038	6.8
266.07587	1.0
275.09048	2.9
293.10141	1.0
360.02765	0.5
430.08670	0.6
439.22330	0.5
445.11325	1.5
463.15778	14.9
470.09537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1572
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
69.03410	0.6
69.95543	1.1
71.05018	0.4
78.49401	0.4
79.01841	0.6
81.03375	0.7
85.02888	0.9
86.51066	0.3
97.02891	0.5
117.09711	0.4
119.10067	0.4
125.02371	0.5
131.04904	0.6
137.05945	2.3
143.03398	1.0
144.18413	0.4
149.05974	0.7
151.03935	0.5
153.01822	13.8
153.02921	0.9
169.06465	0.7
177.05341	1.3
197.06010	0.7
201.05420	0.5
205.04704	60.6
206.05040	0.8
226.04103	0.4
229.08582	0.5
257.07999	0.7
266.07642	6.3
267.08401	1.4
275.09122	0.5
286.04755	0.8
301.07028	3.1
301.12439	1.0
415.13684	0.8
443.78720	0.5
463.15695	100.0
464.15979	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.3
57.03431	11.6
61.02921	5.0
61.63145	3.3
65.88947	3.3
67.05483	4.0
67.20686	3.5
68.77229	3.2
68.87625	3.8
69.03430	8.6
69.07059	4.7
71.04996	6.8
73.02905	21.1
77.51868	3.1
79.05479	9.4
81.07052	26.2
85.02898	6.3
91.05469	30.7
93.07027	23.9
94.04162	4.5
94.07354	3.8
95.04962	6.5
95.08591	6.0
99.08111	9.3
103.05445	6.2
105.07043	10.2
107.04923	8.2
107.08597	16.0
109.06539	8.1
109.10158	5.6
111.04460	5.3
115.03921	4.6
115.05461	4.7
119.04942	13.0
121.06522	6.9
121.10097	20.0
122.03648	9.9
122.10493	7.8
125.09632	21.6
128.06248	3.9
129.06989	9.9
131.04910	6.4
131.08592	6.1
135.07994	5.2
137.05974	73.2
143.10666	22.3
147.08037	3.8
149.05986	10.5
149.09686	4.0
151.03886	10.5
151.07523	100.0
153.01837	3.9
157.06442	10.2
161.05997	26.2
161.09680	4.7
163.07570	25.6
165.05602	5.1
165.06984	13.0
165.12877	3.6
167.07030	10.1
167.08565	10.3
174.06715	4.6
175.07506	13.2
177.09161	4.2
179.06995	4.7
183.08003	3.9
184.05089	4.1
189.09120	29.7
191.06938	4.8
191.10623	4.5
193.06438	6.1
193.10115	4.3
195.08063	17.9
195.10040	6.2
199.07503	16.3
203.06894	5.4
203.08603	5.6
209.08063	8.3
215.06961	4.3
219.07986	4.6
221.05899	7.8
221.09599	10.5
222.06622	4.2
223.07576	6.6
224.08333	5.1
225.09071	10.7
227.06949	4.8
227.10648	24.0
249.09074	7.7
251.06725	4.4
253.08617	11.6
253.12184	9.5
255.10214	20.0
265.08606	14.9
267.10065	6.1
269.07892	4.7
281.11642	8.2
283.09497	6.8
285.11212	14.1
285.18292	8.0
287.12796	64.9
288.13153	3.9
291.10156	7.4
297.11298	5.6
299.12793	8.0
301.17786	5.4
303.19519	13.0
309.11142	23.4
311.12665	8.4
313.14310	38.1
329.13770	6.4
331.15372	55.3
341.13791	17.6
343.15399	9.2
351.14276	8.9
367.15277	4.0
409.16464	4.0
409.27411	5.1
427.28305	7.2
445.18588	5.9
445.29242	5.0
463.15668	83.0
463.30319	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	463.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01865	2.0
55.05508	3.4
57.03430	3.9
61.02922	2.0
67.05492	2.7
69.03432	18.1
69.07068	2.8
70.70909	1.7
70.71233	1.9
71.05000	2.0
74.81811	1.2
77.03911	1.9
79.05489	26.9
81.03424	9.9
81.07063	9.3
85.02915	8.6
87.04432	1.5
88.55051	1.1
91.05463	15.3
93.07037	83.5
95.04961	7.4
95.08585	3.1
97.02850	6.2
97.06505	1.6
98.03414	1.4
99.04447	3.6
99.08128	1.8
103.05489	2.2
105.04517	2.8
105.07036	15.9
107.08583	18.1
109.02896	4.5
109.06465	1.9
109.10137	1.5
111.08067	3.2
116.06207	1.8
117.05512	3.7
119.08565	7.3
121.06496	2.4
121.10133	100.0
122.10438	1.7
123.08019	3.7
127.03887	7.2
131.08540	12.2
133.07605	1.5
133.10139	2.2
137.05949	3.9
139.11208	4.1
142.54115	1.2
143.08528	1.4
145.04964	2.5
149.09610	47.2
150.10074	1.3
153.01828	1.8
153.07614	3.0
161.05974	1.4
167.10680	18.8
179.04646	1.3
189.75951	1.1
191.03183	3.5
251.05267	5.3
266.07532	13.1
283.09888	1.5
293.13821	5.6
301.17947	1.9
309.39511	1.5
311.14960	14.0
349.38959	1.3
427.28467	1.7
463.09326	1.7
463.15729	29.0
464.16336	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	10.2
55.05511	32.7
56.03024	7.4
67.05498	93.5
69.07067	34.6
71.42797	13.7
79.05485	68.8
81.07055	93.5
83.08600	24.1
85.06532	9.9
89.09357	8.1
91.05460	97.4
93.07034	78.9
95.04958	19.4
95.08601	59.9
97.06516	11.8
105.07021	100.0
107.08596	44.0
109.06525	12.9
109.10181	22.6
111.08064	11.0
117.07030	35.1
119.08593	36.5
121.06481	9.1
121.10117	21.3
129.06999	29.5
131.08586	66.7
133.09203	8.8
133.10161	28.1
143.08563	31.8
145.10071	44.1
155.08522	14.9
157.10115	20.7
159.11784	12.9
169.10201	11.5
171.11749	13.3
181.10114	7.8
183.11728	15.3
325.25195	11.9
335.23541	11.1
343.26373	25.8
349.82864	9.3
353.24619	42.9
371.26019	48.3
389.26913	51.2
445.29422	60.5
446.29520	9.2
463.25873	40.2
463.30524	69.0
463.41293	11.7
474.63599	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	463.303
Annotation	Tupichigenin D
Peak:m/z	Relative Intensity
50.48416	0.6
54.59034	0.7
55.05513	3.3
57.03425	1.5
65.03950	0.7
66.35236	0.7
67.05498	12.8
68.38470	0.6
69.07074	3.5
71.04988	0.8
79.05485	9.3
81.03414	2.3
81.07050	15.9
83.04972	1.9
83.08616	2.1
85.06550	0.7
87.52197	0.6
91.05463	8.0
93.07037	10.2
95.04961	2.0
95.08597	4.0
97.06521	2.1
105.07017	3.5
107.04916	0.8
107.08598	5.7
109.10171	3.5
111.08104	1.0
117.07003	1.3
119.08604	1.9
121.10146	3.0
129.07005	1.4
131.08557	1.7
133.10091	4.6
135.11696	1.6
135.43259	0.6
137.25227	0.7
147.11685	0.8
149.13269	4.5
151.11183	1.8
159.11716	1.6
161.03375	0.7
177.12755	1.3
195.13852	2.8
199.27124	0.6
253.14442	1.4
289.76657	0.6
295.17917	0.6
303.81888	0.7
345.99591	0.7
445.29224	61.4
446.29434	5.0
463.30338	100.0
464.30725	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	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03943	2.5
55.01873	3.4
55.05514	12.6
57.03436	4.7
65.03941	2.4
67.05498	76.4
69.07060	28.7
69.89659	7.6
71.04996	6.1
79.05485	51.9
81.07049	100.0
83.04993	10.1
83.08599	15.1
85.06575	3.4
91.05468	26.6
93.07037	72.9
93.07597	4.1
95.04972	11.6
95.08591	25.9
97.06504	12.8
99.08125	5.9
105.04543	4.4
105.07037	9.7
107.04989	2.2
107.08588	39.1
109.06548	5.4
109.10170	3.5
111.08109	7.9
117.07044	13.1
121.06542	2.3
121.10143	22.8
131.08549	10.5
133.10117	10.9
133.20052	2.7
135.11723	9.1
139.11256	3.3
149.13240	39.9
149.14279	3.1
159.11667	19.1
177.12747	5.4
195.13750	12.5
213.14914	2.7
281.07516	2.3
336.13538	2.2
445.29160	36.9
446.29648	4.4
463.30579	86.1
463.37946	9.4
464.31070	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	463.3051
Annotation	Dacryhainansterone
Peak:m/z	Relative Intensity
55.01872	0.8
55.05508	2.4
67.05488	4.7
69.03395	0.8
69.07050	3.8
71.04969	0.9
71.08624	1.8
79.05486	10.1
81.03416	1.2
81.07047	56.4
91.05459	3.9
93.07015	4.9
95.04954	1.0
95.08587	4.8
96.41811	0.8
97.06516	1.4
98.05349	0.7
99.08084	30.3
105.04554	1.1
105.07034	4.9
107.08582	3.9
109.06499	2.4
109.10155	10.5
111.08111	1.2
115.46261	0.8
117.07009	2.1
119.08566	3.6
121.06483	1.4
121.10140	2.7
123.04464	1.0
123.08046	1.6
125.09650	1.7
127.11191	3.6
128.06227	1.0
129.07002	1.4
131.08580	3.0
133.10127	2.9
137.05971	4.2
143.08517	4.0
145.10149	4.4
147.08025	1.5
147.11639	1.4
153.01831	2.7
155.07333	0.8
155.08562	3.8
157.10109	3.1
159.08081	1.3
159.11720	2.6
165.07027	0.8
167.08531	2.2
169.10114	3.2
171.08028	1.7
171.11691	1.4
173.09610	3.0
175.11183	2.3
179.08565	1.1
181.10107	3.3
182.10962	1.4
183.11664	2.7
185.09630	1.3
185.13260	2.5
187.11247	1.0
191.10803	1.1
192.09486	1.0
193.10139	2.3
195.11674	3.5
196.12340	1.2
197.09608	1.9
197.13249	5.1
199.11221	1.7
199.14767	1.2
207.11757	1.3
209.13231	1.8
210.13933	1.4
211.11134	1.0
211.14880	2.0
213.12715	2.4
220.12428	0.9
221.13304	2.3
222.13939	0.9
223.11258	2.0
223.14923	1.3
225.12759	4.1
227.14389	0.9
231.11656	1.0
233.13281	1.0
235.14691	1.2
237.16431	3.7
239.14336	2.9
247.14803	2.5
249.12727	1.3
250.13644	1.2
255.17400	1.7
263.14423	1.8
265.15866	3.3
281.15289	1.0
283.16891	17.0
286.04782	1.4
289.19226	1.0
299.16339	3.4
301.07120	5.8
301.17957	100.0
302.18365	5.2
311.20010	2.2
329.20969	8.1
335.19968	2.1
341.21075	1.0
353.20950	6.1
354.21698	1.0
391.26181	2.2
409.27328	25.5
427.28455	13.4
445.29596	5.5
463.30432	4.7
474.84308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Podecdysone B
Peak:m/z	Relative Intensity
53.03943	0.6
55.01854	0.3
55.05506	2.5
57.03439	1.1
59.05024	0.3
65.03926	0.6
67.05495	4.1
69.03416	0.5
69.07063	7.7
69.42330	1.4
71.04995	0.4
71.08633	1.6
77.03915	0.3
79.05485	10.2
81.07050	68.0
82.07382	0.8
83.04977	0.9
83.08594	0.5
88.31254	0.4
91.05460	2.4
93.07031	4.5
95.04966	1.9
95.08600	2.5
97.06528	2.2
97.10169	0.8
99.08084	33.8
100.08430	0.6
105.03400	0.4
105.07026	5.2
107.04979	0.4
107.08583	6.7
109.06506	2.2
109.10147	9.4
109.33507	0.3
111.08091	0.8
115.05498	0.5
117.07010	1.4
119.04942	0.9
119.08555	3.6
121.06494	2.1
121.10149	1.9
123.04441	0.6
123.08067	2.0
123.11726	0.4
125.09623	9.7
127.11195	4.3
128.06221	0.7
129.07024	1.2
130.07799	0.5
131.08557	3.2
133.06468	0.3
133.10114	2.5
135.08072	0.7
135.11682	1.1
137.05984	1.3
137.09586	0.5
141.06989	1.3
142.07767	0.3
143.08559	4.7
143.10649	5.4
145.06497	0.9
145.10112	5.9
147.08049	1.5
147.11627	1.8
149.09587	0.9
154.07768	0.6
155.08549	4.2
156.09309	0.5
157.06500	0.6
157.10144	2.6
158.07207	0.4
159.08060	1.4
159.11674	2.1
161.09645	1.4
161.13258	0.4
163.11128	0.4
165.07008	1.0
165.12738	4.7
166.07678	0.4
167.08566	1.2
168.09290	0.7
169.10117	3.5
171.08061	2.5
171.11652	1.4
173.09607	4.5
173.13277	1.3
175.11148	1.3
178.07747	0.3
179.08597	1.0
179.14375	0.4
180.09309	0.6
181.10100	3.6
182.10895	1.3
183.08078	0.6
183.11644	2.8
184.12500	0.6
185.09595	1.3
185.13196	2.2
187.11189	1.2
189.09117	1.2
191.09059	0.4
191.10637	1.6
192.09306	0.5
193.10139	2.0
194.10890	0.9
195.08034	0.7
195.11674	4.0
196.12393	0.6
197.09584	2.4
197.13228	6.7
198.10361	0.3
198.14032	0.5
199.11192	1.9
199.14841	1.4
201.12677	0.4
203.08609	0.4
205.10135	1.2
205.12059	0.5
206.10963	0.6
207.08301	0.3
207.10170	0.6
207.11739	2.1
208.12518	0.4
209.09589	1.5
209.11491	0.5
209.13260	2.7
210.14055	0.9
211.11211	1.9
211.14740	2.0
212.11946	0.4
213.12717	2.1
215.10535	0.3
215.14302	1.3
217.10155	0.9
218.10884	0.6
219.11693	0.9
221.09746	0.7
221.13229	2.6
222.10341	0.5
222.13922	0.7
223.11215	2.3
223.14812	1.8
224.11964	0.4
225.12733	4.0
225.16344	0.6
226.13535	0.4
227.14336	1.2
231.13762	0.5
232.12410	1.4
233.13264	0.9
235.11151	1.2
235.14738	1.6
236.11981	0.5
237.12704	1.4
237.16364	3.5
239.14291	2.2
240.14932	0.5
241.15977	0.5
243.13931	0.7
244.12375	0.4
245.13281	0.5
247.14816	2.3
248.12158	0.3
249.12636	0.7
249.16554	0.5
250.13567	1.4
251.14240	1.2
251.18068	0.4
253.15892	0.8
253.19528	1.4
255.17464	2.1
259.14694	0.4
261.16528	0.5
263.14252	1.5
263.17911	1.0
265.15869	5.9
266.16104	0.3
267.17499	1.0
273.18649	0.5
277.16272	0.4
277.19492	0.5
281.15353	1.1
281.18976	0.4
282.16138	0.4
283.16885	19.3
284.17435	0.6
285.18524	1.3
289.16229	0.4
289.19519	0.6
291.17395	0.7
293.15430	0.5
293.18854	0.6
295.20377	0.4
299.16360	4.3
300.17020	0.8
301.17947	100.0
302.18396	5.9
303.19531	4.5
305.18976	0.6
307.20520	0.4
309.18439	0.4
311.19958	2.8
313.17957	0.7
313.21713	0.6
315.20166	0.4
317.19098	1.2
319.19077	0.5
323.20123	0.6
323.23645	0.3
327.19620	0.9
329.17111	0.6
329.21063	9.7
330.21393	0.6
331.22775	0.6
335.20029	1.6
339.19492	0.6
341.21078	1.3
353.21085	6.3
354.21707	1.3
371.22208	1.6
373.25232	1.1
391.26221	1.8
409.27344	24.7
410.27893	1.5
427.28400	13.2
428.28839	1.2
445.29456	10.0
446.29938	0.9
463.30530	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	463.3051
Annotation	Podecdysone B
Peak:m/z	Relative Intensity
55.05505	8.7
59.04981	9.4
67.05494	16.8
69.07066	66.7
69.42870	14.5
71.04992	4.2
76.58025	2.4
79.05471	16.9
81.03391	4.3
81.07052	60.4
83.04967	5.9
83.08632	3.5
85.02892	4.0
91.05473	18.3
93.07045	27.2
93.28278	2.7
95.04959	12.8
95.08614	17.3
97.06544	16.9
97.10153	4.0
98.23523	2.7
99.08099	16.0
101.06005	3.2
105.07024	24.1
107.04967	4.0
107.08582	48.3
109.06524	13.9
109.10138	23.2
111.08068	5.6
117.07023	7.4
119.04968	3.4
119.08559	21.8
121.06498	6.0
121.10126	15.7
123.08062	27.6
123.11671	3.8
125.09633	32.7
127.11182	9.7
128.06204	3.1
129.05481	12.4
129.06950	3.6
130.05859	7.1
131.08575	16.4
133.10126	9.7
135.08069	7.3
135.11714	8.1
137.05939	4.7
137.09584	3.6
142.07690	3.0
143.08551	8.3
143.10646	10.8
145.06468	5.4
145.10123	18.9
147.06563	3.2
147.07990	6.7
147.11671	6.7
149.09592	8.2
153.01826	11.0
155.06902	2.9
155.08562	8.5
157.10162	9.3
158.07208	4.5
159.08028	8.1
159.11604	13.6
161.09584	8.2
161.13196	3.7
165.12758	60.6
169.10115	6.5
171.08038	9.2
171.11682	7.7
173.09590	29.0
173.13242	6.7
175.11188	7.6
177.12750	3.4
179.08612	3.2
179.14301	3.0
180.09358	2.8
181.10168	5.6
183.11644	5.9
185.09560	2.9
185.13205	5.0
187.11150	14.5
187.14807	4.3
189.12727	4.4
191.10701	11.8
193.10205	2.8
195.11694	7.3
197.13260	9.3
199.11139	2.9
199.14775	4.3
201.12637	5.2
203.14377	3.4
209.13353	3.9
210.10274	3.3
211.11244	3.6
211.14856	4.0
213.12732	6.8
215.14377	6.4
219.06471	5.7
223.14767	3.2
225.12700	7.9
227.14505	4.8
231.13843	6.3
235.14903	3.6
235.89064	2.8
239.14267	4.5
243.13802	5.1
249.14847	8.8
253.15813	3.6
255.17369	5.1
265.15829	6.9
283.16962	16.5
285.18497	8.7
295.20605	5.6
297.18491	4.1
301.18002	25.3
303.19485	22.6
311.20004	4.5
319.18988	4.1
331.22775	3.9
353.21024	12.3
371.22174	44.7
373.25198	3.7
377.23462	4.5
391.26517	6.2
403.10974	2.8
409.27252	23.8
427.28351	43.4
445.29428	100.0
446.29639	6.5
463.15811	6.2
463.30496	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	463.3052
Annotation	Podecdysone B
Peak:m/z	Relative Intensity
53.03940	1.1
55.01861	1.6
55.05500	6.4
57.03443	2.4
59.68001	0.9
64.26489	1.0
66.92703	1.0
67.05494	3.3
69.03421	2.6
69.07059	15.4
69.61356	4.1
70.23280	0.9
71.04976	1.3
71.08618	1.4
79.05487	10.0
81.07049	70.2
83.04959	2.7
83.08608	2.2
91.05480	8.1
93.07037	8.3
95.04961	2.3
95.08598	3.7
95.34946	1.0
97.06530	4.2
97.10161	2.2
97.32776	1.2
99.08085	20.6
105.07024	11.0
107.04961	1.1
107.08582	35.6
109.06490	3.8
109.10160	3.6
114.56817	1.0
117.07011	1.6
119.08574	5.0
121.06501	3.6
121.10117	2.9
122.09659	4.0
123.08063	1.1
125.09621	100.0
126.09985	2.1
127.11209	1.8
127.45465	0.9
129.06993	2.0
131.08554	6.9
133.10106	4.8
135.08026	2.7
135.11699	1.6
137.05919	1.8
141.06967	0.9
143.08687	5.4
143.10658	75.2
144.10976	1.1
145.09334	0.9
145.10138	9.9
147.08046	5.4
147.11656	3.3
149.09610	1.9
153.01762	1.8
154.07709	1.3
155.08562	3.4
157.10057	5.1
158.07332	1.8
159.08047	4.0
159.11664	2.5
161.09624	3.1
161.13295	1.3
167.08565	2.3
169.10103	2.3
171.07979	2.5
171.11789	1.9
173.09592	9.0
175.07605	1.1
175.11249	1.3
175.52263	1.0
179.08482	1.2
181.10123	2.7
183.11655	2.6
185.13412	1.1
187.11183	1.6
189.09114	2.9
191.10661	4.1
192.78986	1.1
193.10062	1.4
195.11717	2.1
197.13237	3.2
199.11272	2.1
199.14908	1.7
207.09903	1.3
207.11729	2.3
209.09636	2.0
209.11588	2.3
209.13330	1.9
211.11211	2.4
211.14807	1.9
213.12779	2.5
215.14194	1.3
219.17403	2.0
221.13274	1.5
223.11270	1.4
223.14825	1.3
225.12671	3.1
227.14186	2.3
232.12520	1.3
235.11012	1.6
237.16330	1.9
253.12241	1.5
255.17397	1.3
265.15686	2.0
267.17456	3.3
268.14539	2.1
283.16861	7.3
285.18524	8.1
286.15628	4.5
295.20697	1.3
299.16302	1.3
301.17975	9.5
303.19513	64.9
304.19931	2.8
311.20151	1.2
329.21078	2.9
335.19931	1.7
391.26324	1.4
409.27383	4.6
427.28363	14.2
445.29422	4.8
463.30521	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	463.3051
Annotation	Podecdysone B
Peak:m/z	Relative Intensity
51.84872	1.0
52.01256	1.1
53.03942	1.0
55.01864	3.1
55.05509	4.7
57.03429	2.5
65.03946	2.3
67.05504	13.3
69.03417	3.5
69.07064	33.6
71.04969	1.7
79.05495	12.5
81.03426	2.9
81.07051	36.1
81.14716	1.2
83.04980	3.0
83.08615	2.1
85.06532	1.4
91.05475	11.2
93.07040	13.4
95.04970	13.4
95.08596	10.4
97.06528	10.7
97.10165	4.4
99.08087	12.5
105.07017	12.7
107.04944	3.5
107.08585	24.8
107.09255	1.9
109.06509	8.8
109.10124	6.1
111.08060	1.3
116.06208	1.4
117.07003	4.7
119.08567	8.8
121.06480	5.7
121.10137	7.1
121.46743	1.0
123.08072	7.7
123.11696	3.5
125.09612	18.5
127.11197	4.8
128.06181	1.6
129.07019	2.5
131.08580	8.4
133.10143	8.5
135.08075	3.7
135.11673	5.6
137.05943	2.2
137.09592	1.8
137.13304	1.6
137.57520	1.2
143.08589	5.1
143.10658	3.0
145.10112	11.0
147.07994	3.2
147.11696	7.7
149.09607	3.4
149.13239	2.5
151.11154	1.3
155.08554	2.5
157.10129	4.9
159.08040	3.8
159.11681	6.3
161.09608	3.6
161.13239	1.9
163.11156	3.1
165.12741	64.6
166.13109	1.3
169.10138	3.1
171.07971	2.8
171.11711	3.6
173.09610	12.1
173.13263	4.3
175.11198	2.6
175.14830	1.1
177.12767	1.4
181.10236	1.9
183.11682	3.3
185.09673	1.7
185.13275	3.1
187.11211	6.3
189.09103	1.6
189.11188	1.7
191.10637	6.2
193.10138	1.3
193.12250	1.4
195.11722	2.7
197.09441	1.1
197.13307	2.6
199.14839	1.5
201.09026	1.3
201.12743	1.4
203.14375	1.2
205.12114	1.6
209.11687	1.7
211.11214	2.3
213.12770	2.5
215.14276	2.5
217.12332	1.6
219.13763	9.9
221.13287	1.4
223.14697	2.3
225.12744	1.8
227.12631	2.2
231.13771	2.5
237.16324	1.4
241.15881	2.5
249.14742	2.0
255.17462	3.8
262.52808	1.2
265.16071	5.3
283.17093	6.1
283.19830	1.1
285.18533	2.4
293.18762	2.1
295.20587	4.3
301.18030	6.1
301.20877	1.1
303.19467	1.6
311.19675	1.7
313.21631	3.0
319.18942	4.8
329.21259	2.0
331.22644	1.4
353.20944	2.3
371.22025	9.8
385.46069	1.1
391.26355	2.7
409.27554	9.5
415.60223	1.2
427.28418	21.0
428.28769	1.9
445.29541	100.0
446.30096	5.8
463.30957	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.01869	3.1
55.05507	18.7
57.03423	5.8
57.07061	4.0
65.03915	2.5
67.05498	74.1
69.07064	24.8
71.04982	7.5
71.43123	2.4
72.88338	2.3
79.05485	47.4
81.07047	100.0
83.04965	10.1
83.08607	20.5
85.06522	4.5
91.05455	23.1
93.06443	4.2
93.07032	69.3
95.04955	8.4
95.08593	19.7
97.06508	16.8
98.23029	3.7
99.08092	3.5
105.07010	10.2
107.08572	29.5
109.06504	3.5
109.10089	3.8
111.08057	10.3
117.07014	9.2
121.10144	21.5
131.08554	8.8
133.10075	11.4
135.11685	10.5
149.13232	50.6
159.11687	17.5
163.26389	2.6
177.12730	9.9
195.13756	12.8
278.04971	2.6
291.08664	5.0
463.30627	50.8
464.33661	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	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03940	4.3
55.01867	4.1
55.05503	22.5
56.54772	1.3
57.03428	9.6
57.07068	3.7
61.97989	1.2
65.03930	4.7
67.05498	83.8
68.05814	1.1
69.07062	27.8
70.07394	1.2
71.04993	5.5
77.03954	1.4
79.05483	54.5
81.03408	3.4
81.07047	100.0
82.07393	2.4
82.78449	1.3
83.04980	10.2
83.08604	21.4
85.06525	8.1
91.05466	45.4
93.07034	74.1
94.07364	1.8
95.04958	12.2
95.08595	32.2
96.08974	1.5
97.06525	14.2
97.10193	3.4
99.08070	2.6
105.04502	2.9
105.07018	22.0
107.04945	3.1
107.08580	39.8
109.06516	5.7
109.10125	6.9
111.08078	8.9
111.11720	1.4
115.05488	1.7
117.07014	17.8
119.08569	15.5
121.06532	3.4
121.10127	20.4
123.08071	2.1
123.11706	3.3
125.09659	1.3
129.07027	5.1
131.08549	19.4
133.06500	1.3
133.10114	16.0
135.08023	2.2
135.11667	11.5
137.09633	1.2
139.11171	1.9
143.08606	4.4
145.10083	6.5
147.04402	2.1
147.08008	2.2
147.11679	3.2
149.09676	1.6
149.13235	38.7
150.13582	1.5
151.11183	1.5
155.08594	2.6
157.10161	3.8
159.11673	18.1
169.10124	2.1
171.08159	1.2
171.11702	2.9
175.03859	2.7
177.12698	7.8
181.10098	1.8
183.11755	2.2
195.13797	20.1
195.43080	1.1
197.13290	1.8
208.14709	1.2
213.14868	2.1
219.06468	7.4
227.18173	1.6
250.19440	1.2
251.16559	1.6
335.23691	1.6
343.26532	2.4
353.24823	6.2
371.25754	6.8
374.78003	1.2
389.26813	6.6
445.29477	11.3
463.30594	64.8
464.30804	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.9
57.03408	2.2
67.05499	4.6
69.03418	2.7
69.07068	10.0
69.85832	2.0
71.04978	1.5
71.08626	1.6
76.67204	1.1
77.86275	1.1
78.58776	1.1
79.05492	12.8
81.03423	2.0
81.07047	73.6
82.18729	1.2
85.02887	2.6
91.05463	3.9
93.07050	6.6
95.04990	2.4
95.08598	3.9
97.02837	1.5
97.06510	4.7
98.23379	1.7
99.08084	29.5
105.07030	6.0
107.04897	1.4
107.08579	8.2
109.02894	1.4
109.06494	2.2
109.10147	9.6
117.07019	1.3
119.08581	4.7
121.06474	2.8
121.10119	3.4
123.08044	2.5
123.11680	1.3
125.09592	10.0
127.03878	1.6
127.11173	6.2
131.08565	4.7
133.10092	2.3
135.07988	1.5
137.05962	2.1
141.06929	1.7
143.08572	5.8
143.10646	8.6
145.10101	5.4
147.08006	1.9
147.11670	2.0
149.09509	1.4
151.07553	1.3
151.80208	1.4
153.01807	19.1
155.08516	5.0
157.10121	3.4
159.08046	3.8
159.11618	3.0
161.09537	2.3
164.21130	1.5
165.06967	1.4
167.08470	1.8
169.10088	4.6
171.02936	2.1
171.08057	2.7
173.09605	5.1
175.11009	1.4
179.08549	2.1
181.08588	3.0
181.10110	3.0
182.10905	2.5
183.07994	1.7
183.11659	3.9
184.12357	1.6
185.09669	1.5
185.13300	2.1
189.09081	5.2
191.10661	2.0
193.10083	2.6
195.08119	1.5
195.11667	4.4
197.09637	1.3
197.13268	6.5
199.11218	2.7
205.10104	1.8
207.10089	2.4
207.11784	2.2
209.09624	2.5
209.13229	4.1
211.11136	1.6
211.14786	1.7
213.12755	2.0
217.10178	1.5
218.11067	1.8
221.13234	1.7
223.11183	3.3
225.12665	4.7
227.14236	2.5
235.14796	1.8
237.12701	1.5
237.16374	5.2
239.14294	3.6
241.15782	1.8
247.14935	2.4
250.13567	1.9
253.19490	2.2
255.17380	3.4
265.15845	6.8
277.15790	1.2
283.16870	18.9
285.18231	1.5
293.18842	1.4
295.20197	1.5
299.16272	5.9
301.17944	100.0
302.18372	5.5
303.19492	8.8
311.20062	2.1
325.03693	1.4
329.21085	11.0
335.19986	2.0
353.21039	5.5
391.26184	3.5
409.27371	23.0
410.27905	1.4
427.28412	22.6
445.29297	6.0
463.30313	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.01869	3.1
55.05507	18.7
57.03423	5.8
57.07061	4.0
65.03915	2.5
67.05498	74.1
69.07064	24.8
71.04982	7.5
71.43123	2.4
72.88338	2.3
79.05485	47.4
81.07047	100.0
83.04965	10.1
83.08607	20.5
85.06522	4.5
91.05455	23.1
93.06443	4.2
93.07032	69.3
95.04955	8.4
95.08593	19.7
97.06508	16.8
98.23029	3.7
99.08092	3.5
105.07010	10.2
107.08572	29.5
109.06504	3.5
109.10089	3.8
111.08057	10.3
117.07014	9.2
121.10144	21.5
131.08554	8.8
133.10075	11.4
135.11685	10.5
149.13232	50.6
159.11687	17.5
163.26389	2.6
177.12730	9.9
195.13756	12.8
278.04971	2.6
291.08664	5.0
463.30627	50.8
464.33661	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	463.3052
Annotation	Podecdysone B
Peak:m/z	Relative Intensity
55.05254	0.7
55.05510	2.8
57.03426	1.2
59.05002	1.1
65.03934	1.3
67.05500	5.8
69.03420	2.9
69.07067	10.7
70.72382	1.2
70.72699	1.0
71.04970	1.6
71.08645	0.8
79.05486	11.5
81.03405	2.6
81.07053	71.3
82.07401	1.2
83.04983	2.0
85.02902	2.5
85.06551	0.8
91.05467	3.4
93.07039	7.3
95.04953	2.9
95.08598	3.0
97.02896	1.4
97.06522	3.3
97.10141	1.3
99.08092	35.9
101.05987	1.6
103.05441	0.8
105.07017	7.1
107.04949	1.3
107.08582	8.0
109.02897	1.9
109.06494	2.5
109.10142	8.4
111.08057	1.6
117.06982	1.9
119.04955	1.1
119.08543	3.9
119.61722	1.0
121.06509	2.2
121.10157	3.1
123.08057	2.6
123.11682	1.0
125.02288	1.3
125.09634	13.5
127.03921	3.4
127.11172	4.7
128.06194	1.1
129.06949	1.2
131.08563	3.6
133.06494	0.9
133.10112	2.8
135.11739	1.5
137.05952	3.5
139.07532	0.9
143.03439	0.9
143.08557	5.6
143.10641	7.0
145.10114	6.6
147.08057	2.9
147.11678	2.7
149.09595	1.6
153.00635	1.7
153.01823	25.9
153.03058	2.0
155.07208	0.8
155.08519	2.4
157.06464	1.0
157.10088	3.2
159.08081	2.2
159.11681	2.4
161.09612	2.3
163.07561	1.0
163.11142	1.2
165.12776	1.8
167.08580	1.6
169.10097	2.9
171.02861	4.4
171.08049	3.0
171.11719	1.9
173.09573	4.6
173.13239	1.5
175.11179	2.6
180.09264	1.2
181.08591	3.3
181.10164	3.4
183.11682	3.4
184.12625	0.9
185.09627	1.5
185.13321	2.2
189.09081	3.7
191.10654	2.4
193.10143	1.9
195.11707	4.5
197.09612	3.2
197.13239	5.6
199.11198	1.4
199.14844	1.3
200.11667	0.8
205.10162	1.2
207.10065	2.4
207.11775	2.0
209.09592	1.4
209.13301	3.0
210.13988	0.9
211.11151	1.7
211.14801	2.5
213.12672	2.4
215.14365	1.9
217.10147	0.9
219.11740	1.7
221.09563	1.3
221.13255	2.4
223.11163	3.0
223.14603	1.2
225.12743	3.6
227.14427	2.0
232.12479	1.0
233.13211	1.5
235.11087	1.4
235.14819	1.9
236.11971	1.4
237.12659	1.3
237.16412	4.6
239.14259	2.3
241.15915	1.0
247.14816	2.3
249.12628	1.2
250.13573	1.0
251.14371	1.5
253.15865	1.3
253.19536	1.3
255.17369	2.2
263.14392	1.4
263.17404	0.9
265.15887	5.3
267.17493	1.1
281.15506	1.4
283.16904	18.1
284.17505	1.1
285.18460	1.3
293.18866	1.2
297.05920	1.9
299.16284	4.8
300.17374	1.4
301.17972	100.0
302.18411	7.2
303.19531	10.0
311.19986	2.4
315.07037	4.0
317.18912	1.4
329.21085	9.3
331.22656	1.7
335.20276	1.9
353.21100	6.0
354.21780	1.1
360.02924	1.2
371.22247	1.0
373.25040	0.9
391.26337	2.4
403.34573	0.9
409.27359	24.3
427.28397	22.1
428.28845	1.1
445.29269	5.5
446.30356	0.9
463.17313	2.5
463.30368	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	464.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.7
53.28823	2.6
55.01863	17.2
57.03439	22.0
59.04995	2.9
61.02928	17.3
63.30658	3.0
69.03422	39.3
69.46189	12.9
71.01353	4.7
73.02913	89.6
76.02229	2.7
79.82901	2.4
81.03423	6.6
81.69405	2.7
84.04525	3.3
85.02896	100.0
87.04463	7.6
91.03948	4.5
91.05795	3.1
92.04744	5.3
97.02883	71.1
97.19743	2.4
99.04474	4.6
103.03951	5.5
103.05471	3.1
109.02848	10.7
115.03917	29.6
117.05488	3.6
121.02854	62.1
127.03923	29.8
131.04936	11.3
133.04958	58.5
140.84804	3.0
145.04947	45.6
151.42656	2.5
153.01805	3.5
153.05449	97.9
153.06668	6.1
162.88760	2.7
163.06023	14.7
163.07492	6.9
166.36308	2.6
170.12875	4.6
180.06422	3.4
199.06009	3.3
222.70532	2.6
241.07086	9.0
259.08255	4.7
259.11093	3.3
300.42197	2.6
303.01306	9.8
324.10324	3.9
353.14142	2.7
464.15240	75.8
465.15277	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	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01866	3.9
57.03431	2.1
61.02917	2.6
64.21215	0.7
69.03430	9.5
69.41997	1.5
69.42408	2.7
71.04976	0.8
73.02905	2.2
79.05472	1.5
81.03414	9.5
84.19374	0.7
85.02902	23.3
87.00826	8.0
87.04442	0.9
91.03908	0.9
91.05428	1.8
93.07039	1.2
97.02889	11.2
99.03857	0.7
99.04422	3.7
103.03924	0.9
103.05471	1.6
105.01861	4.5
105.07002	1.1
107.04970	1.2
108.04494	0.9
108.33494	0.7
109.02875	7.0
110.42184	0.8
117.01831	0.8
117.07011	2.0
121.06528	5.8
127.03904	13.5
129.01819	0.9
135.04416	1.1
135.08113	1.0
138.03154	1.1
139.79665	0.8
145.04953	7.8
145.06458	1.2
147.04373	1.5
149.05969	11.8
153.01830	2.1
153.05455	31.4
159.02939	4.2
167.07008	1.0
173.02278	0.8
173.06032	4.0
175.03836	0.8
177.05440	3.9
177.09277	0.8
181.08594	9.2
187.07513	1.5
191.03316	0.8
191.06955	1.5
199.09648	28.2
201.01843	2.7
205.04712	6.9
205.08673	2.7
206.05037	3.9
209.07967	1.4
213.03979	0.9
215.07034	1.2
219.02797	1.1
219.06540	1.4
223.09644	8.7
229.01263	3.1
231.02890	1.7
231.04987	1.8
237.07266	0.9
240.20721	0.8
247.02353	2.7
257.00772	10.7
259.02225	2.1
265.10663	5.5
275.01813	11.7
285.00266	8.8
289.10818	4.0
303.01340	100.0
307.11725	3.5
464.16049	19.4
465.18732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	15.0
57.03436	33.7
61.02921	21.3
67.53408	2.8
69.03114	4.1
69.03426	44.9
69.45610	6.6
69.46021	10.9
70.93678	3.1
71.01338	6.0
73.02912	99.6
78.08560	3.3
81.03411	12.1
85.02900	100.0
85.39225	3.1
86.81118	4.0
87.04482	6.4
91.03955	5.9
92.04729	4.2
93.67256	2.9
97.02888	73.9
99.04436	6.6
102.43783	3.7
103.03931	6.9
103.05450	9.1
105.07024	4.2
109.02853	8.6
115.03933	34.3
121.02854	60.4
127.03925	38.7
131.04903	15.9
133.04962	52.1
145.04945	54.6
146.82152	3.3
153.01807	10.5
153.05463	97.9
163.05988	13.2
163.07472	8.3
168.83389	3.3
170.12885	3.4
179.38489	3.1
180.06334	5.0
218.51044	3.1
222.07185	4.8
223.05952	5.9
241.07092	5.3
259.08105	5.8
259.10797	4.1
277.53043	3.7
301.43515	3.5
303.01328	12.8
303.04745	3.8
453.79358	3.3
464.15308	66.8
464.21448	5.9
465.15445	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	464.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01865	2.6
57.03431	4.8
59.05001	0.4
61.02917	8.8
69.03422	14.9
69.21831	2.4
71.01342	0.4
71.04990	2.1
73.02901	3.0
73.06483	0.4
79.05505	0.6
81.03410	6.5
83.01324	0.5
85.02896	100.0
86.03218	0.7
87.04453	2.1
91.03958	5.4
97.02883	23.9
99.04446	4.1
101.02343	0.7
103.03924	1.2
103.05417	0.5
105.07020	6.0
108.09785	0.4
109.02872	8.3
115.03892	0.9
119.08547	0.7
127.03904	24.7
128.04245	0.4
131.04886	0.5
135.04384	0.4
135.69197	0.4
137.05923	0.8
137.51234	0.4
139.98904	0.4
145.04944	56.1
146.05293	0.7
147.08011	1.4
153.01801	1.0
163.06010	25.6
163.07445	1.4
167.08600	0.4
171.08038	0.5
180.08621	0.6
185.09647	0.5
189.09073	0.9
201.09117	0.5
219.10159	0.7
231.10213	1.8
249.11104	1.3
249.94266	0.4
267.12228	0.8
278.13776	0.4
285.13287	2.8
303.01633	0.9
303.04968	1.5
325.11218	1.1
446.16724	0.4
459.97617	0.5
464.15198	2.8
487.28644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
53.44279	2.5
57.03423	3.0
57.31373	2.3
57.48644	2.6
62.81750	2.8
65.06519	2.7
69.03420	7.5
70.31261	2.4
71.05025	2.5
71.42869	3.2
78.24532	2.5
79.05519	3.1
81.03399	6.1
81.07052	3.0
83.04989	2.9
85.02898	25.0
91.05422	4.4
93.07030	5.8
94.06605	3.2
95.04964	3.7
95.08579	3.7
97.02890	9.2
99.04442	2.7
105.07026	10.2
107.04947	3.8
109.02891	7.7
115.84705	2.8
117.05504	5.4
119.04915	8.5
127.03899	7.5
131.04909	3.1
132.76472	2.9
133.06468	7.1
135.04407	4.4
137.02353	5.0
137.05949	4.9
145.04927	5.1
147.04411	6.8
149.05943	6.2
151.07539	5.5
153.01833	16.9
153.05455	16.8
154.02164	2.6
154.04945	3.9
161.05948	13.7
163.07487	4.2
167.07042	16.2
168.07806	23.7
174.69023	2.6
178.06294	4.3
179.07037	4.4
181.04977	4.0
182.05299	6.1
193.08575	21.7
196.07233	21.2
209.08078	5.6
211.09659	29.6
222.07385	2.9
229.01382	3.6
247.02264	4.0
257.00739	10.7
267.12238	6.3
269.12714	3.4
275.01819	11.4
285.00284	9.9
285.13199	17.4
303.01331	100.0
303.04956	26.9
303.19595	8.1
324.10461	2.9
447.17505	7.5
464.15417	28.4
464.21249	3.2
465.18567	6.5
488.59039	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.05502	12.0
56.14248	1.9
57.03434	5.2
58.26723	2.0
65.03941	3.5
67.05473	4.6
69.03425	27.7
69.07059	4.1
70.54764	4.1
71.05000	2.6
79.05473	17.9
81.03410	2.9
81.07043	9.5
83.04945	3.0
83.08588	2.4
85.02902	19.9
87.04457	18.6
91.05463	25.1
93.06445	5.0
93.07036	100.0
95.04948	10.4
95.08604	7.3
97.02898	22.5
100.11263	3.5
105.04479	3.0
105.07011	10.9
106.09883	2.6
107.08586	72.2
108.08834	2.3
109.02905	2.8
109.06462	2.3
109.10165	7.2
115.03914	36.1
119.08602	5.4
121.10136	5.2
127.03885	3.2
131.08485	3.7
133.04961	40.6
135.11681	42.9
137.05995	4.1
143.17618	2.3
145.10068	2.9
147.11668	2.6
150.07629	2.6
175.11107	2.6
334.66769	2.5
464.33835	5.5
465.13568	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	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06282	0.9
69.03401	1.5
69.12534	0.9
69.96213	2.2
71.08620	32.8
73.04765	1.7
84.04497	2.6
85.02877	2.4
88.11256	100.0
89.11597	1.2
91.05773	5.6
97.02889	1.1
98.23438	1.1
106.68800	1.1
112.49397	1.1
118.31829	1.0
123.04462	1.6
130.04988	2.4
139.03833	1.3
147.07646	2.9
151.03914	1.3
153.01810	3.0
185.63593	1.1
241.69542	1.0
259.02399	1.9
277.03387	3.3
303.01520	2.3
303.05234	1.5
305.51755	1.0
349.15869	1.2
359.02579	1.4
361.02563	3.1
431.08542	2.1
465.15533	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01856	0.2
57.03428	0.4
61.02915	0.7
69.03424	2.2
69.11424	1.0
70.06585	0.2
71.04990	0.4
73.02906	0.4
74.92000	0.2
81.03403	0.7
85.02901	4.1
87.04457	0.4
89.03942	0.2
91.03951	0.3
97.02885	2.4
97.85698	0.1
98.23049	0.9
99.04452	0.4
103.05466	0.2
109.02859	0.6
117.03332	0.3
118.69733	0.1
124.03930	0.2
125.02347	0.2
125.35350	0.2
127.03887	1.2
137.05934	0.3
145.02867	0.3
145.04938	0.6
147.04417	0.5
151.03912	0.3
153.01802	0.4
157.02797	0.2
163.03896	0.4
173.02339	1.0
175.03909	0.6
181.04974	0.4
183.00670	0.2
185.02306	0.4
191.03401	0.6
194.12492	0.2
201.01811	3.3
203.03355	0.9
205.04747	0.4
213.01819	0.7
217.01346	0.4
219.02901	0.8
229.01308	3.4
231.02875	1.7
241.01230	1.0
247.02351	3.5
248.02725	0.2
257.00793	11.4
258.01080	0.3
259.02316	1.7
275.01831	9.5
276.02042	0.4
285.00269	9.9
286.00803	0.5
303.01318	100.0
304.01642	5.0
304.05212	0.2
409.37299	0.2
465.09720	0.8
465.16171	1.1
488.69391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Tricetin 3'-glucoside
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.7
55.05496	0.9
57.03410	1.1
61.02905	1.7
67.05493	1.1
68.99786	0.9
69.03121	0.4
69.03424	4.9
69.07038	2.0
70.07393	0.4
70.98643	0.4
71.04965	1.1
77.03922	0.6
79.05484	1.8
80.05775	0.4
81.03423	2.5
81.06572	0.5
81.07048	8.5
82.07375	0.9
83.04975	0.4
83.08609	0.4
85.02897	9.7
87.04460	0.7
91.03983	0.4
91.05470	2.0
93.07040	1.9
95.04951	1.1
95.08591	1.8
97.02886	3.3
97.06509	0.7
98.23194	0.5
99.04452	0.8
99.08083	2.3
99.09113	0.3
102.77721	0.4
102.97679	0.4
105.07020	2.5
107.05011	0.5
107.08585	3.8
108.08966	0.4
109.02844	1.6
109.06479	0.8
109.10141	2.0
111.00815	0.8
117.07002	0.7
119.08558	1.7
120.08862	0.4
121.02848	1.3
121.06518	0.6
121.10129	1.1
125.09607	3.4
126.09988	0.4
127.03948	1.9
127.11192	1.2
128.06194	0.5
128.11449	0.4
129.06978	0.7
130.77382	0.4
131.08542	1.4
132.08917	0.4
133.10123	1.0
135.11665	0.5
137.02318	4.2
137.05923	0.7
143.08536	1.4
143.10672	1.7
144.08911	0.4
145.04924	1.3
145.06435	0.6
145.10086	2.1
147.08014	0.6
147.11638	1.1
149.02301	0.7
153.01807	5.5
155.08539	0.6
157.10052	0.8
159.08000	0.6
159.11685	0.9
161.05978	1.7
161.09575	2.0
163.03825	0.5
165.01831	2.3
169.10092	0.8
171.08066	0.9
173.05942	0.6
173.09589	2.5
175.07645	0.4
175.11212	0.7
179.03328	0.4
183.02826	0.9
183.04338	0.5
183.11626	0.5
185.09666	0.5
187.11229	0.5
188.11443	0.4
189.09096	1.5
191.10654	0.8
197.13211	0.6
198.52069	0.4
199.11079	0.4
199.14732	0.6
200.09877	0.4
201.05370	2.2
207.10165	1.3
213.12718	0.4
229.04919	6.1
233.15369	0.4
257.04333	3.2
257.19003	0.5
267.17340	1.5
274.04691	0.6
277.03546	0.4
284.17242	0.5
285.03897	1.4
285.18494	2.2
301.17932	1.1
302.18314	2.9
303.04941	100.0
303.19064	1.2
304.05344	4.8
392.26712	0.9
393.27744	0.9
400.25323	0.6
410.27579	1.5
411.28677	1.4
428.28787	3.6
428.82114	0.4
429.29767	2.2
446.29822	1.9
447.30542	1.8
464.30847	0.5
465.17380	3.5
465.32068	9.3
466.32266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03930	0.6
55.01857	0.6
57.03440	0.8
61.02918	1.3
61.49143	0.1
62.41529	0.1
65.03932	0.2
67.01870	0.2
68.99776	0.7
69.03426	3.3
69.18484	1.0
71.04967	0.4
73.02917	0.5
79.05462	0.2
81.03417	1.8
81.07034	0.3
85.02899	10.2
86.03237	0.2
87.04466	0.4
91.03948	0.5
91.05453	0.2
93.03396	0.4
93.07007	0.3
95.04936	0.4
97.02890	3.2
99.04443	0.5
105.07009	0.4
107.04926	0.2
107.08577	0.3
109.02880	1.2
109.10155	0.2
111.00808	1.0
117.07011	0.3
121.02846	1.1
121.10120	0.2
123.04407	0.4
127.03906	1.8
129.06989	0.2
135.04398	0.3
135.08005	0.2
137.02325	4.3
137.03325	0.2
137.05951	0.2
145.04948	1.6
145.06444	0.3
149.02321	0.4
149.06010	0.2
153.01808	5.7
153.03058	0.3
154.02136	0.4
155.04846	0.3
159.04405	0.3
159.11636	0.2
161.05977	1.4
161.09578	0.3
163.03900	0.7
165.01822	2.5
165.12723	0.2
166.02580	0.4
167.07040	0.2
171.02945	0.2
173.05966	0.6
181.08574	0.7
182.08929	0.8
183.02881	1.0
183.04431	0.4
187.03929	0.3
189.09077	0.4
191.03299	0.3
191.07021	0.2
195.02800	0.2
201.05453	2.0
207.10155	0.7
211.03853	0.2
216.41801	0.1
219.06467	0.3
226.97588	0.2
228.04141	0.3
229.04939	5.2
232.03574	0.3
245.04369	0.2
247.06029	0.8
257.04425	3.1
274.04715	0.8
285.03867	1.3
303.04953	100.0
304.05289	4.3
315.04764	0.3
345.06003	0.3
490.35724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03932	0.8
55.01861	0.8
57.03421	0.9
61.02923	2.2
65.03928	0.3
67.05503	0.3
68.99783	0.9
69.03419	3.5
70.55878	0.5
71.04980	0.6
73.02895	0.8
79.05464	0.3
81.03404	1.7
81.07056	0.3
83.01373	0.2
83.04916	0.3
85.02896	9.9
85.03409	0.5
87.04464	0.3
91.03944	1.4
93.03355	0.4
95.04962	0.7
95.08630	0.3
97.02895	3.3
98.03165	0.3
99.04446	0.6
109.02869	1.6
111.00822	0.8
121.02840	0.9
123.04443	0.4
126.74025	0.2
127.03922	1.6
135.04350	0.3
136.07582	1.1
137.02327	4.4
137.03389	0.3
137.05995	0.3
145.04930	1.9
145.06032	0.3
145.06473	0.3
149.02251	0.6
153.00633	0.4
153.01810	6.1
153.03029	0.3
161.05972	0.4
163.03957	0.5
163.05998	0.2
164.07051	1.6
165.01811	2.5
172.72137	0.2
173.05962	0.6
182.08066	0.4
183.02864	0.7
183.04308	0.4
191.03389	0.4
194.88985	0.2
201.05466	2.0
219.06506	0.5
228.04099	0.3
229.04951	5.2
245.04413	0.3
247.06024	0.8
257.04419	2.9
274.04645	0.7
275.01727	0.3
275.66080	0.2
285.03961	1.7
285.12222	0.4
299.05255	0.3
303.04941	100.0
304.05267	4.3
315.01477	0.4
315.04877	1.6
327.04941	0.3
340.01056	0.3
341.06741	0.3
345.06104	1.2
369.05835	0.6
429.08279	0.3
447.09314	0.5
465.10196	0.5
465.17523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03930	0.3
55.01876	0.5
55.05505	0.2
57.03423	1.0
59.05008	0.2
61.02916	2.5
67.05486	0.4
68.99795	0.8
69.03419	3.7
71.04974	1.0
72.53448	0.2
73.02913	1.6
79.05492	1.2
81.03407	2.7
81.07036	0.6
83.04999	0.3
85.02897	10.4
85.06541	0.3
87.04446	0.4
91.03941	0.9
91.05476	0.5
93.07017	0.5
95.04940	0.6
95.08567	0.4
97.02885	3.4
97.06549	0.3
99.04453	0.6
99.08073	0.2
99.09176	0.2
100.37094	0.2
105.07055	0.5
106.65184	0.2
107.08596	1.8
107.74762	0.2
109.02869	1.7
109.06493	0.9
111.00786	1.0
111.08077	0.2
117.07011	0.3
121.02842	1.2
121.06493	0.3
121.10062	0.4
123.04437	0.5
123.08024	0.2
125.06045	0.3
127.03906	2.1
127.06719	0.2
127.07526	1.5
130.21786	0.2
131.08482	0.3
133.06516	0.2
133.10118	0.2
135.08026	0.4
137.02339	3.9
137.03387	0.4
137.04723	0.3
137.05919	0.4
145.04951	2.1
145.06375	0.3
147.11732	0.2
149.02336	0.5
149.09518	0.4
150.35437	0.2
151.62808	0.2
153.01805	6.4
153.09068	1.5
154.04985	0.9
155.04909	0.3
161.05956	0.4
163.03917	0.8
165.01837	2.2
166.02469	0.3
167.10690	0.5
173.05940	0.6
175.07561	0.3
177.11266	0.2
179.03384	0.3
181.08632	0.4
182.08968	0.3
183.02887	1.0
183.04294	0.4
185.11703	1.4
187.03891	0.3
193.12210	0.2
195.02812	0.3
201.05421	2.4
203.03441	0.2
205.04895	0.3
211.04054	0.2
211.07266	0.2
219.06520	0.3
229.04945	4.6
247.05931	0.9
257.04431	3.0
267.15683	0.3
274.04703	0.9
275.05371	0.5
277.03421	0.4
283.09573	0.3
285.03864	1.4
303.04944	100.0
304.05316	3.4
315.04953	0.9
345.06036	0.9
369.06052	0.4
377.77890	0.3
447.08890	0.3
465.17618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	AC1MML41
Peak:m/z	Relative Intensity
51.02401	1.0
51.36911	0.8
53.03949	0.8
55.01867	3.5
58.27631	0.8
65.03939	0.8
68.99798	3.1
69.03428	1.4
71.14307	1.4
77.03915	1.7
81.03398	1.5
83.01328	1.3
84.08172	0.9
84.78725	0.7
85.02911	1.9
95.01334	2.1
95.04984	2.8
96.15544	0.7
97.02901	0.9
98.23220	1.2
105.03396	2.2
105.04529	1.0
107.04970	2.9
109.02850	1.5
111.00824	1.0
111.04456	1.0
117.05397	0.8
121.02895	3.2
123.04421	100.0
124.05211	1.5
125.02359	1.2
127.03905	23.4
131.04898	1.4
135.03395	0.6
135.04401	14.9
137.02325	1.4
139.03879	12.9
146.03593	1.3
147.04401	2.2
149.02333	2.4
149.05988	0.8
150.03094	1.4
151.03931	2.5
153.01831	6.7
161.06116	1.1
163.03888	16.7
165.01773	2.2
167.03404	5.2
169.06467	1.0
170.53079	0.8
173.05957	1.0
175.03963	1.2
177.01819	8.1
177.05496	1.0
179.03392	11.1
181.06491	1.0
187.03862	2.1
189.01886	1.4
191.03371	7.8
195.02888	5.9
197.06047	2.1
203.03368	5.1
205.01434	1.4
205.04945	3.1
207.02878	2.3
215.03383	1.3
217.05070	1.1
219.02832	9.9
221.04460	2.7
223.02385	11.1
225.05609	0.9
229.05034	1.4
231.02921	1.9
233.04460	5.9
243.03072	0.8
245.04474	1.1
247.02338	0.9
249.03734	1.2
251.05621	1.0
255.06544	2.9
259.02420	3.1
261.03922	4.5
269.06726	0.9
271.05994	60.4
272.06738	16.5
273.07343	3.7
277.03391	4.0
279.04947	18.9
281.04425	0.8
283.06116	2.0
289.03754	1.0
289.07141	1.7
295.04565	1.5
297.05963	6.7
303.01328	6.7
303.05026	4.3
307.04535	2.5
311.05435	2.0
319.04376	6.1
323.05432	1.1
325.05508	12.7
337.05835	5.2
341.06473	1.1
347.69925	0.9
411.07132	2.0
429.08212	4.8
447.09271	1.8
465.10135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
57.84531	0.4
64.46712	0.5
67.05518	0.7
69.03417	0.6
69.07057	0.8
69.33092	2.7
81.07054	1.5
85.02898	0.8
91.05471	0.8
93.07055	3.3
94.07380	1.0
95.08596	0.6
97.02886	1.0
98.22704	1.2
103.80148	0.5
105.07018	0.6
107.08598	2.1
109.06522	0.6
109.10148	1.3
115.03949	0.6
121.10175	0.7
127.00047	1.0
131.08644	0.6
135.08040	0.6
135.11714	0.9
137.05986	0.8
147.11688	0.7
151.03833	0.5
153.01881	0.6
167.03192	0.7
171.11568	0.5
201.05261	1.9
212.62578	0.5
216.07556	12.3
216.09540	1.0
217.08331	13.8
227.05247	2.2
241.07758	0.5
271.04404	3.5
367.52377	0.6
379.13577	6.5
403.13715	0.9
411.28934	1.3
421.14655	46.7
422.14832	2.6
429.30719	0.8
465.13657	100.0
466.13980	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	465.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41826	0.4
69.03413	0.4
70.56420	0.3
85.02912	0.5
95.55832	0.3
175.05849	0.3
203.03387	0.4
231.02780	0.4
259.02332	1.0
275.01926	0.4
277.03439	2.0
303.01263	1.8
303.04745	0.7
303.13202	0.6
393.47797	0.3
409.24170	0.4
426.77527	0.4
446.11075	0.3
465.15714	100.0
466.16144	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	465.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.4
55.14526	2.8
64.24637	3.0
65.72469	2.9
67.05481	7.3
69.03391	3.2
69.07072	7.3
78.04682	2.8
79.05479	11.7
81.07045	18.0
85.02870	3.4
91.05447	19.3
93.07027	15.3
95.04959	14.2
95.08588	8.0
103.05430	6.9
105.07023	14.8
105.78179	2.8
107.04945	25.7
107.08566	11.2
109.06475	3.1
109.10139	11.2
115.05439	5.2
117.06997	5.0
119.04929	4.3
119.08559	9.1
120.05632	3.2
121.06478	20.8
123.04403	13.9
124.05162	5.3
125.09611	9.1
128.06209	8.2
129.06961	20.7
131.04880	6.4
131.08533	11.9
133.06435	5.7
133.10136	7.5
135.08029	7.2
137.05954	20.7
139.07475	3.0
140.04646	12.6
143.10655	6.9
145.06476	5.3
145.10074	7.3
147.08029	4.9
148.05116	6.2
149.05946	7.4
149.09595	3.1
151.03880	5.5
151.07491	19.0
152.04652	3.3
153.01784	9.4
153.05452	12.0
155.06990	14.8
157.06476	15.4
157.10147	3.5
159.08041	6.4
161.05945	53.4
161.09607	16.9
163.07518	13.1
165.06961	3.1
165.09052	7.5
166.06177	8.5
167.07005	93.3
167.08266	3.3
168.07312	2.9
172.13989	2.8
173.09616	7.4
174.06741	10.0
175.07503	16.4
177.09073	10.7
179.07062	3.4
179.08502	3.4
181.06924	5.4
181.08569	77.5
181.10056	2.9
182.07193	3.4
189.09088	75.4
191.07016	5.8
195.08026	10.3
197.09636	5.7
199.11188	2.9
207.10052	25.3
210.04510	3.1
211.07455	4.9
217.08620	3.6
219.08105	6.2
219.10173	8.6
221.06003	4.6
221.11739	3.9
222.06622	3.8
223.07509	7.7
223.11008	4.1
225.09052	14.0
227.06909	4.4
235.07555	4.3
236.08264	3.5
237.09077	4.3
239.06943	7.2
239.10637	3.4
241.08528	5.3
251.06868	5.0
251.10672	5.7
253.08533	13.4
255.06474	3.9
255.10074	7.2
257.11752	8.9
267.10007	3.6
270.08835	4.6
279.10065	5.9
283.09634	10.7
283.13150	8.6
284.10205	4.3
285.11182	28.5
285.18478	4.6
287.16879	3.5
287.20020	12.2
297.11047	4.2
299.09341	4.7
299.12650	5.1
302.18359	3.3
303.01114	3.9
303.19281	7.4
311.12683	9.6
315.12222	18.7
316.12692	4.9
317.13745	34.4
329.13663	8.6
331.15350	9.1
341.13489	4.3
343.15335	41.5
359.14832	8.4
360.15604	34.7
361.16367	100.0
361.23349	3.9
362.16797	4.2
383.82416	3.2
403.16943	3.9
411.28629	13.2
429.29785	7.9
435.20004	12.2
453.18878	3.3
465.32166	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	465.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.6
57.03406	13.2
59.04978	7.0
64.50387	4.5
67.05488	14.1
69.03409	20.8
69.07050	19.8
69.28036	23.7
71.04964	14.6
74.77637	4.6
79.05481	23.9
81.03382	6.6
81.07047	50.2
83.04993	6.4
85.02898	18.4
85.06559	7.7
87.04444	13.2
88.03524	4.6
91.05451	29.9
93.07027	33.8
95.04951	14.1
95.08598	25.5
97.02908	14.3
97.06541	7.9
98.23450	8.0
99.04418	7.4
99.08055	6.7
103.05457	8.6
105.07015	27.2
107.04929	21.5
107.08582	52.9
109.06522	11.8
109.10136	15.2
111.04425	5.2
115.03916	14.0
115.05490	6.8
117.06991	9.5
119.04916	7.5
119.08540	17.4
121.06490	21.7
121.10136	7.2
123.04411	11.7
123.08036	10.8
123.11697	6.2
125.09626	26.9
128.06223	6.7
129.06998	25.0
131.04897	11.0
131.08548	19.7
132.05643	5.0
133.04944	20.7
133.10103	11.5
135.04497	5.2
135.08022	7.5
135.11664	20.2
137.05986	27.7
137.06888	4.5
137.09546	6.2
140.04588	11.7
143.08546	11.0
143.10687	6.7
145.06477	7.7
145.10115	19.5
146.03525	5.0
147.07980	7.5
147.11668	9.2
148.05104	7.0
149.05998	8.4
151.03925	11.9
151.07466	16.0
153.01810	16.5
153.05479	10.4
153.12724	82.5
155.07024	10.0
155.08322	4.4
157.06458	15.1
157.10118	4.9
159.08018	5.4
161.05943	45.1
161.09589	16.5
163.07483	17.5
165.05557	5.4
165.09019	7.2
165.12709	9.4
167.07002	100.0
167.08318	8.3
168.07266	5.3
169.10138	7.3
173.09584	11.9
174.06757	11.8
175.07520	21.2
175.11200	8.5
177.09038	9.6
179.07037	5.5
181.08575	82.2
189.09099	70.1
195.07942	6.2
197.09520	7.1
207.10158	22.3
219.10123	11.6
223.07448	7.0
223.11182	5.4
225.09033	12.0
237.09065	5.4
239.07079	5.6
251.10541	8.3
253.08507	13.2
257.11630	10.8
283.13550	5.8
285.11188	28.0
285.18549	6.0
297.11316	7.7
303.01355	9.0
303.04953	8.0
303.11917	8.9
311.12680	9.9
315.12317	17.2
317.08304	19.7
317.13943	25.4
329.13818	7.6
337.21478	7.3
343.15363	35.8
355.22525	17.6
360.15717	31.0
361.16428	87.4
411.28659	18.9
429.30118	27.3
434.27054	5.2
435.20386	7.2
447.30414	12.8
465.12759	18.7
465.18402	28.7
465.32129	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47999	2.6
53.03956	7.5
55.01872	7.5
55.05502	16.1
57.03431	5.4
57.07092	2.9
58.62101	3.1
59.04984	2.4
64.80768	2.6
65.03946	3.3
67.05495	26.5
68.95940	2.3
69.03429	25.6
69.07059	11.0
69.67016	6.0
69.67374	5.1
71.04998	4.9
75.04479	3.4
77.72813	2.4
78.65330	2.9
79.05490	28.7
81.03406	27.6
81.07050	33.6
82.07412	2.5
83.04983	4.4
83.08636	4.5
85.02901	20.8
85.06569	6.0
91.05466	39.1
93.07042	100.0
95.04954	17.3
95.08596	38.3
95.09136	3.6
97.02887	12.4
97.06526	10.0
97.10178	10.9
98.23306	4.5
99.04432	5.3
99.08118	3.8
103.05510	6.4
105.04543	7.7
105.07011	32.6
107.01295	2.8
107.04931	4.2
107.08582	30.3
109.02819	13.4
109.06525	14.0
109.10159	40.8
111.04532	2.7
111.08079	6.1
114.05553	2.5
115.05457	8.5
117.06996	10.1
119.04959	12.4
119.08578	20.1
120.08180	2.7
121.06492	34.7
121.10139	60.3
123.04415	11.7
123.08101	10.7
123.11742	7.9
125.09660	3.9
127.03925	12.1
128.06219	9.4
129.07022	10.1
131.04962	4.4
131.08542	13.2
133.06512	8.3
133.10126	8.3
135.08040	8.9
135.11662	9.0
137.05966	57.1
137.09648	10.0
137.13216	3.1
139.11183	5.8
142.07774	5.2
142.81506	2.8
143.08577	12.2
145.06474	10.9
145.10106	11.3
147.04468	4.9
147.08015	6.6
147.11684	6.0
149.05963	56.3
149.09581	17.0
151.07529	18.1
151.11221	2.9
153.01836	12.3
153.06967	3.2
155.08511	7.6
157.06543	3.6
157.10147	10.7
159.08086	9.7
159.11710	8.2
161.06015	16.3
161.09633	7.0
161.13168	3.7
163.07527	10.8
165.05501	26.8
165.09093	6.6
167.07039	57.0
167.08464	3.9
167.10698	10.2
169.10112	8.3
171.08102	10.3
171.11621	3.6
173.06018	8.1
173.09590	3.2
175.07512	8.2
175.11177	3.8
175.14853	5.8
177.05444	3.5
177.09070	4.2
179.07056	3.5
181.10173	3.3
183.08047	4.3
183.11700	5.7
185.09787	3.9
187.05969	2.9
187.07564	12.1
187.14894	3.1
189.09088	58.2
191.07059	7.9
191.10710	6.0
193.10234	3.6
197.09483	4.2
197.13327	3.4
201.09164	9.8
203.07037	6.2
203.10629	3.9
205.08534	6.9
207.10167	34.8
211.07588	5.2
211.11166	3.5
211.14886	4.1
213.09126	3.9
215.10675	3.9
217.08629	3.3
217.12273	6.3
219.10144	3.6
225.09215	4.5
225.16537	3.0
227.10535	3.5
229.08626	13.6
229.12141	19.0
230.87495	2.7
239.14297	9.8
245.08060	7.7
247.13351	3.0
255.10057	4.0
257.15405	25.9
263.09302	4.2
267.13696	6.7
275.16388	21.0
285.12057	2.3
285.14850	63.1
285.18097	5.4
286.15201	5.1
303.05115	3.9
303.15897	31.5
411.17651	6.5
411.28891	5.1
422.38385	2.9
429.18976	4.1
429.29785	9.5
447.14545	3.4
447.20206	9.6
464.33038	14.9
465.20825	9.6
465.33655	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39532	0.8
51.02368	1.5
53.03934	5.0
55.01859	7.0
55.05503	38.8
57.03428	27.2
57.07064	2.6
59.04977	1.9
64.23845	0.8
65.03934	4.2
67.05495	96.0
69.03413	7.5
69.07057	25.7
71.01337	5.9
71.04987	12.2
73.02906	0.9
77.03920	3.5
79.05482	93.9
81.03406	85.5
81.07044	64.4
82.03754	1.4
82.07378	1.0
83.04973	28.1
83.08181	0.5
83.08605	32.9
85.02895	40.6
85.06527	6.3
91.05469	72.7
92.05805	1.4
93.07030	94.4
94.07382	1.2
95.04955	54.7
95.08015	1.8
95.08595	23.7
96.05280	1.4
97.02881	3.2
97.06519	21.5
97.10157	19.9
97.10802	0.9
99.04430	1.7
99.08084	4.1
100.38781	0.9
103.05448	1.1
104.76577	0.8
105.04497	5.5
105.07014	39.3
107.04951	9.1
107.08579	53.0
109.06496	9.3
109.10137	13.6
111.04443	4.2
111.08065	18.0
113.05994	5.2
115.05428	2.3
117.07006	10.5
119.05981	0.9
119.08561	31.9
121.06488	6.5
121.10129	20.1
123.08041	3.8
123.11713	2.6
125.06012	1.1
125.09600	4.9
125.21543	0.8
127.07561	1.5
129.06989	12.9
130.07748	1.6
131.08548	13.8
133.06491	3.5
133.10121	16.8
135.08035	2.9
135.11673	71.6
136.11960	1.3
137.09616	4.6
142.07756	2.9
143.08559	1.7
145.10091	13.9
147.08044	4.6
147.11670	17.4
149.09587	7.8
151.11172	2.2
153.12740	2.3
157.10107	15.8
159.11673	1.2
161.09673	1.0
163.11162	10.3
165.12724	5.0
165.62053	0.8
169.10210	0.9
169.46176	0.8
175.11153	21.2
181.12178	9.4
182.12558	0.8
183.11510	0.9
187.11197	1.0
189.11240	1.7
193.12210	82.0
194.12616	2.2
203.14252	1.0
205.12323	0.9
211.13258	93.0
212.13602	3.2
219.13715	1.3
223.13252	1.1
229.14299	1.6
237.14897	1.4
249.14896	2.1
255.15887	7.4
267.15891	6.3
285.16962	1.8
329.21021	2.8
349.14279	1.2
355.22455	1.8
373.23752	3.2
403.24631	1.4
421.25778	1.2
447.27356	9.5
456.93640	0.8
465.28433	100.0
466.28778	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03942	4.9
55.01872	5.3
55.05504	40.8
57.03432	26.8
57.07066	3.6
61.54457	1.0
65.03931	4.5
67.05495	98.4
68.05830	1.1
69.03411	6.3
69.07056	29.4
69.27312	4.9
71.01344	4.6
71.04990	10.7
77.03926	2.0
79.05482	94.7
79.17519	1.0
81.03407	80.5
81.07047	62.2
82.03728	1.1
82.07384	1.9
83.04973	28.9
83.08606	33.6
85.02893	37.0
85.06505	6.4
88.07635	1.4
88.78336	1.0
91.05467	76.1
92.05816	1.4
93.07031	91.1
95.04956	55.9
95.08592	22.9
96.05255	1.5
97.02895	2.9
97.06527	19.3
97.10157	19.5
98.06887	1.2
98.23450	2.3
99.04478	1.3
99.08107	5.5
103.05474	1.9
105.04507	4.5
105.07014	33.5
107.04934	11.2
107.08578	51.6
109.06497	9.7
109.10153	10.6
111.04427	4.2
111.08071	17.7
111.08832	1.5
113.05994	2.9
115.05455	2.1
117.06996	10.9
119.06049	1.1
119.08559	30.1
119.48755	0.9
121.06466	5.7
121.10124	19.5
123.08067	4.1
123.11716	2.5
125.09605	4.8
129.06995	13.3
130.07739	1.0
131.08562	14.8
133.06491	4.1
133.10120	15.9
135.08081	2.4
135.11674	69.6
136.11977	1.5
137.09621	3.1
142.07768	2.7
143.08565	1.6
145.06450	1.0
145.10100	15.1
147.08038	3.5
147.11676	19.7
149.02342	2.8
149.09595	6.6
151.11183	2.6
153.12721	2.5
157.10103	18.3
159.11732	1.7
163.11177	8.9
165.12813	3.9
175.11148	19.2
177.12729	2.1
181.12201	12.3
189.11189	1.7
193.05011	3.3
193.12212	75.9
194.12616	2.5
211.13263	87.0
212.13707	2.6
216.24411	1.0
237.07623	2.8
237.14784	1.4
249.14790	2.1
255.15862	11.7
256.26483	4.0
267.15875	9.8
285.17065	2.1
329.21170	4.7
347.22189	2.1
355.22519	2.0
373.23700	4.6
403.24866	2.3
421.25919	1.1
447.27414	11.2
465.28458	100.0
466.29526	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	465.3208
Annotation	2-Deoxyecdysterone
Peak:m/z	Relative Intensity
55.05497	6.7
55.76716	2.3
67.05489	15.6
69.03409	3.0
69.07063	16.0
70.87801	2.7
71.04982	7.6
76.99643	2.2
77.85558	2.0
79.05477	11.9
81.07042	36.2
83.04957	3.2
83.08587	4.2
85.06540	3.3
91.05466	12.5
93.07023	28.0
95.04962	4.8
95.08588	26.6
97.06551	5.8
97.10200	2.8
99.08108	2.9
105.07014	24.4
107.04902	2.7
107.08572	31.1
109.06504	5.6
109.10138	24.8
111.08085	4.7
112.53093	2.3
117.07014	4.2
119.08568	20.6
121.06492	7.3
121.10117	13.6
123.08062	9.4
123.11714	4.2
125.09589	13.0
127.11193	5.0
129.06958	5.0
131.08510	11.4
131.46266	2.4
133.10149	15.3
135.08064	5.4
135.11676	8.8
137.05949	5.7
137.09619	2.9
143.08549	7.6
143.10674	7.5
145.10075	16.3
147.08017	7.1
147.11688	14.4
149.13223	8.1
151.07542	2.2
155.08528	4.5
157.10129	11.7
159.08020	3.9
159.11687	11.0
161.09575	7.1
161.13243	9.8
163.11131	3.6
165.12744	3.3
171.08134	2.7
171.11639	9.8
173.09648	7.8
173.13280	8.3
175.11134	11.7
175.14764	5.4
177.12701	6.3
181.30022	2.1
182.15430	3.0
183.11665	2.8
185.13231	3.6
187.11235	3.2
187.14786	4.3
189.09096	5.8
189.12715	10.0
191.10667	4.1
193.12201	2.4
195.11638	3.0
197.13281	4.5
199.14792	8.0
201.12677	4.1
201.16379	3.1
207.38947	2.6
209.13380	3.1
210.14929	3.4
211.11279	3.1
215.14322	13.5
217.15807	14.3
227.14249	2.9
231.13808	2.8
233.15326	5.6
235.16811	2.6
241.15718	3.3
245.15463	3.8
263.16449	2.9
267.17438	3.2
281.33951	2.3
285.18442	8.1
303.05011	5.3
303.19485	14.9
311.12265	2.3
331.22415	2.7
337.21277	2.9
355.22559	4.2
375.26807	3.5
393.27881	19.1
411.28943	56.3
412.29510	2.3
422.30139	2.7
429.29956	41.6
430.30106	3.7
447.31030	2.5
465.17236	100.0
465.31650	27.7
466.17551	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	465.321
Annotation	2-Deoxyecdysterone
Peak:m/z	Relative Intensity
55.05501	10.6
57.07059	3.3
67.05499	29.9
69.07067	32.9
71.05014	3.7
77.03900	3.7
79.05474	16.8
80.23631	2.5
81.07055	37.1
83.04970	6.0
83.08623	6.9
91.05478	13.2
93.07041	37.7
95.04984	6.4
95.08604	43.6
97.06530	9.9
98.22672	5.5
98.23370	13.3
99.08057	4.3
105.07006	28.3
105.07531	2.5
107.04942	3.0
107.08588	35.0
109.06504	7.5
109.10147	100.0
111.08092	8.9
117.07021	8.2
119.08591	19.4
121.06488	10.4
121.10123	25.6
123.08054	9.6
123.11719	6.7
127.11185	4.1
129.06990	5.5
131.08575	14.2
133.06418	2.9
133.10107	13.4
135.08086	4.6
135.11687	12.8
137.05949	5.3
141.09085	2.8
143.08533	9.1
145.06485	3.5
145.10110	19.2
147.08035	10.7
147.11673	10.4
149.09669	4.2
149.13280	10.3
151.11285	2.6
153.01804	4.3
155.08551	7.9
157.10080	15.7
159.08063	6.8
159.11679	14.8
161.09647	8.3
161.13251	20.5
163.11133	5.5
163.14799	5.5
167.08673	3.0
169.10147	5.7
171.08041	10.9
171.11655	6.2
173.09636	28.5
173.13252	8.6
175.07568	2.8
175.11206	9.9
177.12733	5.3
177.16388	10.4
179.14264	24.4
181.10098	3.0
183.11623	5.5
183.27249	3.0
185.09644	5.3
185.13191	7.3
187.11200	17.7
187.14819	6.6
189.09154	6.4
189.16460	4.4
191.10680	9.6
195.11548	3.2
197.13243	6.5
199.14798	5.3
203.14212	3.1
205.12231	5.2
211.11169	3.6
213.12761	8.9
215.14313	25.9
215.86359	2.6
224.59897	2.5
225.12695	5.2
227.14214	5.4
231.13814	14.8
233.15373	30.1
245.15384	5.2
249.14812	6.7
251.16359	3.6
261.14792	4.3
263.16443	8.3
279.15750	4.3
337.21536	8.8
343.22751	4.2
344.81802	3.0
355.22592	9.6
361.23828	4.3
373.19525	2.5
373.23615	14.8
375.26746	6.7
393.27911	19.0
401.30563	3.6
411.28891	56.6
412.29163	3.5
429.29971	95.0
430.30273	4.8
447.31113	29.8
465.32620	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	465.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32830	0.8
53.03937	1.9
55.01865	1.5
55.05503	4.0
57.03436	1.5
65.03936	1.6
66.35925	0.8
67.05496	8.0
69.03418	2.9
69.06758	0.9
69.07067	8.3
71.04981	2.7
71.08637	1.0
71.43098	1.0
79.05488	14.1
81.03409	2.3
81.07049	66.2
83.04949	2.2
83.08609	2.3
85.02863	1.6
85.06572	1.3
86.09705	1.1
87.04459	1.0
89.02016	0.9
91.05463	9.4
93.07038	14.4
95.04971	4.6
95.08594	16.1
97.02901	1.5
97.06548	2.1
99.08083	14.4
105.07014	13.5
107.04945	3.1
107.08582	25.6
109.06506	3.1
109.10148	6.9
111.08047	1.5
117.06990	3.3
119.08560	7.9
120.08042	2.1
121.06499	12.0
121.10152	4.7
123.04391	1.0
123.08035	2.0
123.11731	1.2
125.09615	19.9
127.03920	1.4
127.11178	3.9
128.06212	1.8
128.49492	1.0
129.07014	2.0
131.04906	1.1
131.08560	8.7
133.06465	1.4
133.10136	7.1
135.08026	5.4
135.11681	3.9
137.02342	1.0
137.05975	4.1
141.06979	1.8
142.07755	1.6
143.08568	6.6
143.10626	5.4
145.06490	2.3
145.10103	10.8
147.08037	6.8
147.11685	6.4
149.05899	1.0
149.09605	1.5
149.13243	1.9
151.03894	7.6
151.04955	1.3
153.01822	4.0
153.12718	6.6
155.08560	3.2
157.10098	4.8
157.59291	1.1
158.07297	1.3
158.10643	0.9
159.08049	2.5
159.11655	5.3
161.09634	5.3
161.13271	2.4
163.03908	1.3
163.07584	1.0
163.11198	1.7
169.10114	2.8
171.08072	2.7
171.11671	2.1
173.09608	13.6
173.13248	1.6
175.11162	4.5
177.09149	1.7
181.10100	1.4
183.11656	2.8
185.09561	1.9
185.13225	1.8
187.11191	2.8
187.14763	1.6
189.09038	4.2
191.10641	12.5
193.08589	1.7
193.10242	1.0
193.12210	2.1
195.11673	1.9
197.13295	2.5
201.16487	0.9
207.11760	1.8
209.11601	6.2
209.13051	0.9
211.09576	2.3
211.11394	1.4
211.13103	1.2
211.14854	2.4
213.12778	1.5
215.14311	1.2
217.15770	1.9
225.12724	1.7
225.16321	1.8
227.14296	5.4
229.15799	5.2
239.14325	1.4
239.17946	3.6
241.15906	2.4
243.17503	2.9
249.16342	2.0
257.19049	1.2
267.17392	7.3
269.19022	1.8
285.18533	18.1
287.20020	1.1
302.18488	1.4
303.19492	24.8
304.19852	1.0
313.21497	2.2
331.22687	3.6
355.22556	1.9
393.27457	1.6
411.28891	10.2
429.29898	8.8
447.30969	4.7
465.17694	9.1
465.32080	100.0
466.32385	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	465.3212
Annotation	Kogagenin
Peak:m/z	Relative Intensity
53.03936	1.4
55.01876	1.0
55.05496	3.7
57.03424	1.2
65.03952	1.0
66.92667	0.8
67.05499	7.1
69.03423	2.3
69.07052	7.1
71.04976	0.9
71.08619	1.2
79.05486	10.9
81.07050	58.5
83.04986	1.4
83.08636	1.4
85.06525	1.0
91.05459	8.2
93.07026	15.9
94.07355	0.9
95.04962	3.3
95.08597	16.5
97.06519	2.3
97.10181	1.5
99.08087	15.6
105.04539	1.0
105.07009	13.1
105.07644	1.3
107.04934	2.1
107.08590	23.5
109.06511	3.0
109.10145	7.4
111.08109	0.9
117.07023	3.0
119.08573	6.2
121.06480	9.1
121.10108	4.3
123.08060	1.5
123.11736	1.5
125.09616	16.9
125.10498	1.1
127.03984	0.8
127.11140	4.1
128.06181	0.9
129.06985	2.7
130.07793	0.9
131.08574	8.2
133.06552	1.5
133.10106	7.6
135.08067	4.8
135.11705	3.0
137.05951	1.9
141.07001	1.2
142.07750	0.8
143.08534	6.4
143.10660	7.0
145.06458	4.0
145.10110	10.5
145.87097	0.8
147.08035	5.7
147.11653	5.9
149.09625	2.4
149.13298	1.0
153.01791	5.6
153.06985	1.2
155.08542	4.3
157.06419	1.2
157.10085	5.7
157.73259	0.9
158.07289	1.7
159.08067	2.8
159.11661	3.8
161.09599	6.0
161.13318	1.5
163.07533	1.2
163.11235	1.5
169.10130	3.2
171.08022	3.4
171.11665	2.5
173.09604	11.5
175.11246	1.7
177.08905	1.0
179.08582	1.0
181.10089	1.5
183.11668	2.2
185.09683	2.1
185.13171	1.5
187.11189	2.1
187.14853	0.9
189.09094	5.0
191.01143	1.0
191.10664	10.6
193.10240	1.4
193.12218	0.8
195.11754	1.5
197.09668	1.0
197.13252	2.2
199.11209	1.8
199.14760	1.5
207.11697	1.9
209.11627	4.8
211.11252	1.0
211.14790	2.1
213.12529	1.0
215.14386	1.7
217.15898	1.3
219.10056	1.0
223.14854	1.1
225.12720	1.5
225.16359	1.6
227.14313	7.3
229.15862	5.6
239.17989	2.9
241.15979	1.5
243.17445	2.9
249.16376	2.6
257.18988	1.4
267.17459	8.6
283.16953	1.4
285.18484	17.1
287.20065	0.9
301.18188	1.5
302.18781	2.9
303.19513	26.2
304.19894	1.3
305.20938	1.2
313.21454	1.5
331.22681	2.8
337.21481	0.8
357.06253	0.9
393.27786	1.5
411.28659	7.7
429.29987	7.9
447.31042	3.6
465.17612	3.2
465.32080	100.0
466.32190	5.9
473.73343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3207
Annotation	2-Deoxyecdysterone
Peak:m/z	Relative Intensity
55.05496	13.1
58.90459	2.3
62.09433	2.3
65.03926	2.2
67.05502	36.3
69.07063	29.0
69.40469	5.4
69.40869	7.3
71.04971	5.6
76.01594	2.4
79.05493	14.9
81.07044	44.7
82.06560	2.2
83.04971	3.0
83.08624	4.7
83.88592	2.6
91.05447	11.0
93.07030	38.7
95.04929	4.9
95.08599	44.9
97.06553	5.5
98.23595	2.4
99.08105	3.5
100.11253	3.2
105.07021	27.6
107.04957	2.3
107.08575	38.2
109.06501	5.7
109.10143	100.0
111.08053	8.9
117.07014	6.5
119.08552	22.3
121.06480	10.4
121.10127	26.4
123.08040	12.0
127.11179	4.4
129.07001	5.1
131.08553	19.8
133.06487	4.9
133.10112	10.9
135.08038	8.6
135.11646	11.1
137.05983	3.4
137.09590	5.1
139.07556	2.5
139.20723	2.3
143.08493	13.7
145.10081	19.9
147.08003	8.6
147.11668	10.8
149.09631	4.0
149.13223	5.5
155.08562	7.0
157.10115	10.5
157.55428	2.3
159.08044	8.4
159.11713	14.2
161.09595	8.1
161.13235	22.3
163.14822	3.9
169.10071	6.2
171.08002	4.6
171.11665	7.7
173.09615	23.9
173.13251	10.1
175.11191	8.2
177.16362	6.2
179.14279	18.8
181.10178	4.1
183.11671	4.2
185.09673	4.2
185.13239	5.7
187.11169	10.5
187.14764	5.1
188.82530	2.4
189.09172	4.7
191.10667	12.9
195.11684	3.6
197.13168	6.7
199.11066	3.2
199.14816	4.1
201.12646	3.2
203.10600	3.7
205.12216	4.4
207.17484	3.2
209.13211	2.9
211.11346	2.6
213.12737	8.6
215.14249	20.5
227.14240	2.8
231.13896	12.3
233.15327	30.0
249.14890	9.9
261.14764	4.3
267.17258	3.5
279.15936	7.3
295.64142	2.4
337.21555	5.8
343.22311	2.7
355.22647	8.0
361.23785	4.3
373.23785	17.2
375.26810	6.2
393.27963	15.7
401.30399	5.4
411.28891	43.0
429.29913	65.5
430.30441	3.6
435.46719	3.0
447.31076	23.6
464.83456	8.0
465.33517	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	465.3212
Annotation	2-Deoxyecdysterone
Peak:m/z	Relative Intensity
53.03945	1.5
55.01862	2.7
55.05502	11.3
65.03925	1.9
66.44244	1.7
67.05498	22.2
69.03417	4.6
69.07061	61.2
69.41429	6.4
70.06565	3.6
71.04974	3.4
72.14400	1.4
79.05485	24.2
81.07052	65.3
83.04982	5.2
83.08597	2.7
85.06548	5.0
86.09695	2.2
91.05470	19.2
93.07038	31.9
95.04957	16.0
95.08592	30.0
97.06528	25.3
97.07122	2.7
97.10160	3.7
99.08073	19.0
105.07020	29.5
107.04969	2.8
107.08585	57.6
108.08942	1.7
109.02903	2.0
109.06507	10.1
109.10148	12.1
111.08099	4.0
112.07615	3.4
113.09591	2.2
117.07027	7.1
119.04914	2.0
119.08572	20.6
121.06474	9.1
121.10109	12.9
123.08062	29.3
123.11667	5.6
125.06065	1.7
125.09615	31.3
127.11182	6.3
128.06233	1.6
129.07034	8.2
131.08553	17.4
133.06488	3.3
133.10100	20.6
135.08028	5.7
135.11696	14.6
137.05960	2.4
137.09604	4.5
137.13239	2.2
140.06967	2.0
141.07030	2.3
142.07802	3.1
143.08548	16.2
143.10649	6.0
145.06505	2.5
145.10104	26.3
147.08029	6.8
147.11678	16.8
149.09618	4.9
149.13278	4.2
151.03894	2.9
151.11154	3.4
153.01820	3.3
155.08556	10.3
156.09273	2.5
157.10092	16.8
159.08060	5.4
159.11671	12.1
161.09602	8.8
161.13258	6.5
163.11166	4.7
165.12744	59.5
166.13132	1.7
167.08614	2.1
169.10100	6.6
171.08020	5.3
171.11656	12.8
173.09630	13.0
173.13283	7.5
175.11180	24.3
175.14778	4.4
177.12740	3.9
179.10660	2.4
179.14268	3.4
181.10144	2.6
182.10890	2.2
183.11703	7.2
183.13396	1.2
184.07335	6.7
184.12492	1.7
185.09619	1.7
185.13237	6.4
187.11215	4.7
187.14680	3.7
189.12717	13.6
191.10645	3.0
193.12276	2.3
195.11688	4.0
197.13255	7.8
199.11136	3.3
199.14804	4.9
201.12770	4.2
201.16415	1.9
203.14355	1.7
207.11728	1.8
209.13216	3.0
211.14864	2.3
213.12724	3.5
213.16231	3.3
215.14261	14.6
217.12209	1.9
217.15919	5.3
219.13771	2.2
223.14912	2.4
224.22066	1.6
225.12732	3.4
227.14301	5.7
229.15892	2.1
231.13765	3.8
233.15361	10.3
237.16313	2.3
239.17992	4.2
245.15388	2.6
249.16376	3.6
251.18025	2.4
263.16208	2.7
267.17386	11.1
269.18890	4.4
269.22363	1.6
279.21072	3.3
285.18475	14.6
286.18912	1.6
287.19983	14.1
295.20508	3.7
297.22168	5.7
303.01715	2.6
303.05029	5.1
303.09808	2.6
303.19327	8.2
313.21594	5.8
315.23087	5.1
319.20294	1.9
323.19791	1.6
325.21439	1.8
331.22659	4.6
337.21518	3.8
355.22644	96.7
356.22955	6.2
375.27170	3.1
393.27878	12.9
411.23669	2.2
411.28903	38.4
429.29941	100.0
430.30194	5.2
447.31039	13.1
465.15121	20.9
465.20459	1.8
465.31699	8.5
466.15063	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3937
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
52.33484	2.9
55.05510	31.5
57.07076	27.0
62.86798	2.7
67.05503	26.1
69.07063	34.3
71.08624	22.0
74.33841	3.3
79.05478	5.0
79.55049	2.6
81.07059	27.8
83.05006	3.0
83.08612	29.6
85.10189	13.7
85.78576	2.9
87.04460	4.6
89.06021	56.3
91.05486	7.6
93.07073	11.4
95.04983	3.7
95.08584	26.9
97.10172	19.5
105.07021	6.0
107.08595	7.2
109.10132	26.8
111.08084	11.5
111.11706	4.4
111.61115	2.7
119.08588	13.4
121.06496	7.4
121.10162	8.1
123.04466	9.8
123.08056	6.2
123.11713	12.7
133.08609	25.3
133.10124	5.1
135.11726	7.5
135.45207	2.8
137.09586	16.9
137.13264	6.5
139.07530	29.0
143.33080	2.7
147.08034	4.0
149.09607	3.6
149.13293	5.5
151.11212	8.4
153.09116	4.9
158.02066	2.8
163.14836	3.1
165.09114	55.5
165.10413	4.4
165.12807	5.0
177.11253	9.0
179.14299	6.4
181.12230	2.6
193.15930	4.5
203.17938	3.4
232.49387	3.3
239.14952	3.6
245.93558	3.1
252.36264	3.0
283.17575	6.4
401.37485	4.3
419.38928	8.1
429.37253	9.7
447.38278	61.7
465.39505	100.0
466.39984	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	466.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05531	0.6
51.20753	0.7
53.03941	3.4
54.02736	0.6
54.66790	0.6
55.01863	6.4
55.05503	0.9
57.03425	3.4
61.02917	3.2
62.69672	0.6
67.01861	0.7
67.05489	2.8
68.99789	1.4
69.03415	12.8
69.07042	1.7
69.20378	2.6
71.01337	0.8
71.04980	1.5
73.02930	3.7
77.03939	0.9
79.01849	0.9
79.05479	2.3
81.03410	12.0
81.07036	2.5
85.02895	48.0
87.00346	1.1
87.00824	14.7
87.04472	0.7
91.03960	1.0
91.05470	1.7
93.07040	1.6
95.04950	1.4
95.08618	0.9
97.02891	13.7
97.06512	5.1
98.23486	1.3
99.04453	6.4
103.03929	2.0
103.05440	0.8
105.01852	21.9
105.07005	1.3
107.08583	0.9
108.04505	3.5
109.02859	13.7
109.06517	1.4
109.10136	1.2
111.04424	0.7
115.05439	2.6
116.06231	2.1
117.01820	1.3
117.06992	0.8
119.08658	0.9
121.10090	0.9
125.09643	0.7
126.05498	1.6
127.03896	29.0
128.06177	2.2
129.01839	2.6
129.07016	3.1
132.05672	2.0
141.06993	1.2
142.07733	1.3
143.03365	2.1
145.04938	12.2
147.02847	1.6
152.06087	0.9
153.01816	13.0
153.02911	1.2
153.06978	8.9
154.07762	3.9
155.08521	10.5
159.02866	6.9
159.71555	0.8
165.06960	8.5
168.05664	10.7
170.07166	1.2
171.02861	1.2
181.06447	1.5
182.07217	3.7
183.08034	100.0
184.08344	3.6
189.03873	4.3
193.07613	0.9
194.07085	0.8
195.08035	1.4
197.09576	6.2
198.06798	1.1
201.08994	1.1
207.08029	1.9
209.09593	1.4
211.07494	1.6
213.03932	0.9
221.09612	3.6
223.07408	1.6
225.09052	6.7
231.02760	1.1
231.04922	7.8
235.11081	1.1
237.09094	4.2
239.10846	0.7
248.07658	2.1
249.06378	1.1
249.09052	4.1
261.09064	1.4
263.10611	3.3
267.10208	1.7
273.09048	2.2
279.10107	1.8
291.10126	8.4
297.15045	0.6
309.11179	4.2
367.15128	1.3
385.16187	1.3
395.11026	0.7
398.57050	0.8
413.12042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.6
61.02925	1.9
65.88705	1.4
69.03455	3.0
69.27867	3.0
69.28278	5.5
71.05007	1.4
79.01856	5.9
79.05511	1.4
81.03410	2.0
85.02902	3.8
92.25306	1.2
95.42571	1.2
97.02879	2.5
98.23471	1.9
103.05450	2.4
105.07038	3.1
107.04920	9.6
107.58724	1.4
109.02904	2.6
125.02357	2.3
127.03909	4.5
131.04958	1.7
135.08020	2.8
137.05998	1.8
143.03438	5.8
145.10117	1.3
147.07970	1.5
153.01816	100.0
163.07486	10.2
167.07024	23.0
195.10231	4.4
206.41724	1.4
213.11194	21.3
245.17519	1.5
287.14844	10.3
303.04956	3.5
304.01865	2.3
304.05350	4.9
466.17615	4.1
467.11578	10.5
467.17639	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.5
51.39217	0.9
52.10226	0.9
53.03933	1.2
53.40776	1.1
55.01868	6.3
57.07055	2.5
59.04983	1.0
64.43849	0.9
67.05494	4.1
69.03423	6.7
69.07048	3.1
69.36668	0.8
70.02950	2.4
70.91706	1.2
72.04514	7.6
73.02905	3.9
79.01846	4.6
79.05507	1.2
81.03406	8.4
81.07021	1.0
83.04964	2.8
85.02901	5.1
85.06528	3.2
86.09702	1.8
90.05551	14.1
95.04942	2.9
97.02855	6.4
97.53548	0.8
98.02407	5.9
99.04434	2.3
100.03957	2.6
103.07588	1.7
107.01296	1.5
109.02866	11.6
111.04456	1.5
112.07579	1.3
113.05999	2.0
115.03899	0.9
116.03454	7.4
124.07569	8.3
125.02330	3.7
126.09157	1.0
127.03893	9.5
132.06538	3.3
137.02240	1.1
139.03947	1.0
142.08591	5.2
143.03377	7.1
145.04903	1.8
153.01814	100.0
153.02904	5.2
156.10167	1.2
160.09645	2.6
166.08636	2.0
171.02821	1.4
172.09723	1.8
174.11247	3.2
181.05016	1.1
184.09662	10.2
198.07600	1.8
199.05981	3.0
202.10725	34.8
203.11316	1.8
211.09688	3.1
216.08659	2.7
217.07039	2.6
220.11781	9.1
230.10172	3.0
234.09731	3.5
262.12949	6.4
262.15234	1.0
286.12851	1.0
297.05954	1.5
310.12869	3.3
328.13892	17.8
346.14828	5.3
364.15964	11.4
423.12485	1.1
467.11530	6.1
467.17615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.03431	5.8
59.04990	1.6
67.05501	2.9
69.03422	14.3
69.07063	4.5
70.67862	2.9
79.05482	8.2
80.74879	1.4
81.07045	100.0
82.63203	1.5
82.65113	1.5
85.02886	12.0
87.04460	8.3
95.08589	15.9
97.02874	14.4
109.10172	1.6
115.03905	20.6
133.04938	20.5
137.13235	20.4
137.14949	1.5
145.04993	3.1
146.03999	1.6
153.10100	1.8
153.48491	2.0
189.43423	1.7
204.97084	1.5
240.75081	1.4
245.58501	1.8
304.25638	1.6
437.87332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55410	0.6
53.03936	0.9
55.05508	1.9
57.03429	6.7
57.07066	2.8
59.04982	1.4
60.04522	0.9
61.02934	0.9
65.03914	0.8
67.05498	5.3
69.03423	21.5
69.07066	3.9
69.61509	1.6
79.05484	9.8
81.03438	1.1
81.07050	100.0
82.07402	1.3
83.87009	0.6
85.02897	15.6
87.04459	12.6
87.04950	1.2
93.07047	1.9
95.08596	21.9
97.02882	18.8
98.23242	1.5
100.11236	1.8
107.08636	0.8
109.10128	1.3
115.03922	25.6
119.12508	0.6
127.03909	3.0
133.03951	1.5
133.04958	26.9
137.13243	18.8
137.14301	0.9
145.04904	3.0
150.07611	3.7
153.01828	1.8
163.06029	1.5
205.20789	0.6
259.08270	1.6
277.09134	1.8
295.10193	1.0
320.27902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.00298	0.2
53.03930	0.3
69.03423	1.4
71.05010	0.2
71.22666	0.3
75.23208	0.2
79.01851	6.4
81.03415	1.9
85.02901	0.2
89.06028	0.3
95.02621	0.2
96.32389	0.2
97.02885	2.9
99.04425	0.4
107.01311	1.4
109.02876	1.3
117.89444	0.2
125.02340	3.9
125.03217	0.3
127.03903	2.2
137.02335	1.1
137.03242	0.2
143.03389	8.2
144.03748	0.2
153.01816	100.0
153.02879	5.5
154.02136	2.0
154.03264	0.3
171.02829	1.6
176.16864	0.2
191.03410	0.2
233.04539	0.2
237.03780	0.2
275.35556	0.2
280.74780	0.2
281.64838	0.2
297.06049	1.6
397.72931	0.2
467.07629	0.4
467.19861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02369	0.8
51.90205	0.2
53.03935	0.3
55.01839	0.2
56.18520	0.2
62.20720	0.2
62.21552	0.2
68.05772	0.2
69.03426	1.2
69.25578	0.9
79.01847	6.2
81.03413	1.5
85.02900	0.3
96.08113	0.4
97.02895	2.0
107.01309	1.4
107.49548	0.2
109.02838	0.9
122.39058	0.2
123.00754	0.4
125.02327	3.4
127.03904	2.7
128.39302	0.2
143.03381	7.7
153.01811	100.0
153.02881	5.8
154.02119	2.2
154.03221	0.2
154.33218	0.2
158.19714	0.2
163.03847	0.3
167.77235	0.2
171.02834	1.0
180.63293	0.2
191.03407	0.3
198.08414	0.2
210.14963	0.3
237.03839	1.0
279.04865	0.2
287.70755	0.2
297.05887	1.2
346.03802	0.2
449.06888	0.5
449.31122	0.5
467.15448	0.3
467.31961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02374	0.8
51.03411	0.1
53.00307	0.1
53.03936	0.2
55.01869	0.2
55.43680	0.1
59.31646	0.1
62.48772	0.1
66.72939	0.1
67.05511	0.2
69.03428	2.3
69.40794	0.6
79.01845	5.7
80.02164	0.1
81.03414	1.1
81.07076	0.1
85.02893	0.2
93.07034	0.2
93.50774	0.1
97.02886	1.5
98.22700	0.3
103.66802	0.1
107.01304	1.2
107.18031	0.1
109.02853	0.7
121.66895	0.1
123.00789	0.3
125.02341	3.7
125.09611	0.1
127.03912	3.7
137.05965	0.2
143.03386	6.8
151.03912	0.3
153.01814	100.0
153.02872	5.4
154.02141	1.8
163.03871	0.2
164.07051	0.2
171.02852	0.4
191.03386	0.4
195.02766	0.2
205.04964	0.3
209.04520	0.2
213.03915	0.3
224.32155	0.1
233.04501	0.1
237.03908	0.6
279.04962	0.6
297.06009	0.9
449.07108	0.5
467.08087	0.5
467.15292	1.1
492.56836	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	467.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02364	1.0
53.03930	0.2
55.75162	0.1
59.01641	0.2
60.08133	0.2
69.03425	1.1
71.42771	0.2
79.01846	6.0
79.05470	0.2
81.03407	1.4
81.07034	0.2
85.02888	0.2
93.07058	0.2
97.02891	1.3
99.04417	0.2
107.01299	1.6
109.02879	0.8
123.00789	0.2
125.02319	2.9
127.03897	2.0
143.03378	7.4
145.66454	0.1
153.01810	100.0
153.02866	5.3
154.02135	1.8
163.03893	0.3
171.02859	0.2
191.03415	0.5
195.02759	0.2
209.04352	0.2
237.03929	1.3
261.04004	0.3
279.05060	0.6
297.06046	0.8
327.81473	0.2
430.29633	0.2
449.07050	0.9
449.32745	0.2
467.08624	0.3
467.14059	0.2
467.18704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
50.37687	0.1
51.02365	0.8
51.88508	0.1
53.03936	0.3
55.01868	0.2
55.05496	0.5
57.03431	0.2
57.07063	0.1
67.05494	0.7
69.03424	1.2
69.07056	0.5
71.04977	0.3
77.01380	0.1
78.40898	0.1
79.01842	6.4
79.05474	0.5
81.03407	3.7
81.07047	1.4
83.08572	0.2
84.83924	0.1
85.02885	0.5
91.05477	0.4
93.07029	0.9
95.04951	0.3
95.08595	0.9
97.02882	2.2
97.06519	0.7
97.10171	0.4
99.04419	0.3
100.11240	0.2
105.07018	0.5
107.01300	1.5
107.08589	0.5
109.02868	1.5
109.06428	0.2
109.10124	0.5
111.04430	0.2
111.08047	0.1
115.03947	0.2
117.06923	0.1
119.08553	0.4
121.06525	0.2
121.10098	0.5
122.09640	0.2
123.00760	0.3
123.11688	0.2
125.02340	3.4
126.89178	0.1
127.03897	2.0
131.08615	0.3
133.10112	0.3
135.08072	0.1
135.11668	0.3
137.05861	0.1
139.11111	0.1
143.03383	7.0
143.08504	0.1
144.03738	0.1
145.10114	0.3
147.11646	0.3
149.13240	0.4
153.01808	100.0
153.02875	5.9
154.02135	1.9
154.03226	0.2
159.11665	0.3
168.13676	0.1
171.02876	0.7
171.07790	0.1
171.11635	0.2
182.15424	0.2
201.16344	0.1
210.14879	0.1
269.17502	1.0
270.17789	0.3
279.04990	0.2
297.05887	1.1
305.13547	0.2
317.11603	0.2
423.19769	0.2
467.08252	0.4
467.18320	1.4
467.27957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
51.02377	0.7
53.03945	0.3
59.38869	0.1
59.70369	0.2
62.09708	0.1
69.03421	1.5
69.36487	0.5
69.36898	0.4
79.01847	6.4
79.05490	0.2
81.03408	2.8
81.07040	0.8
85.02894	0.2
91.05453	0.2
91.24990	0.2
93.07022	0.3
93.48114	0.2
97.02887	1.8
98.23080	0.7
99.08076	0.2
105.07023	0.2
107.01296	1.8
107.08585	0.5
109.02863	1.1
121.06487	0.2
125.02339	3.8
125.09606	0.3
127.03924	2.2
137.05945	0.2
143.03380	8.0
145.10146	0.2
153.01813	100.0
153.02876	5.7
154.02138	1.8
171.02869	0.8
174.09862	0.2
180.53242	0.2
182.67984	0.2
191.10709	0.2
213.03862	0.2
227.75084	0.2
231.14018	0.2
237.03954	0.2
279.04883	0.3
297.06009	1.1
303.19748	0.3
313.44699	0.2
397.34030	0.2
412.29089	0.2
466.32758	1.0
466.38348	0.2
467.08243	0.4
467.18250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02373	0.7
53.03933	0.5
55.01860	0.3
55.05500	0.6
55.90112	0.1
57.03418	0.3
59.22575	0.1
67.05492	0.5
69.03416	1.7
69.07056	0.3
70.14014	0.4
71.04971	0.3
79.01846	6.1
79.05486	0.5
81.03412	3.7
81.03889	0.2
81.07049	1.1
83.04961	0.2
83.08604	0.2
85.02880	0.7
85.06521	0.2
87.00821	0.4
91.05471	0.4
93.07040	1.0
95.04926	0.2
95.08617	0.7
97.02881	2.3
97.06516	0.2
97.10154	0.3
99.04460	0.3
100.11243	0.3
103.04027	0.1
105.01842	0.1
105.07023	0.9
107.01304	1.5
107.08577	1.0
109.02871	1.8
109.06509	0.2
109.10146	0.7
111.08043	0.2
114.09160	0.3
117.07009	0.2
119.08578	0.8
121.06501	0.1
121.10139	0.8
122.09666	0.2
123.00783	0.2
123.08066	0.2
125.02339	3.7
125.09586	0.1
127.03901	2.6
129.01881	0.1
131.08533	0.5
133.10109	1.2
135.11671	0.2
137.09587	0.3
142.08752	0.1
143.03381	7.9
145.04950	0.2
145.10095	0.8
147.11710	0.2
149.13268	0.2
153.01811	100.0
153.02873	5.7
154.02141	1.7
157.10077	0.2
159.02870	0.2
159.11722	0.8
161.13252	0.3
163.14857	0.1
171.02873	1.6
171.11642	0.2
173.13300	0.3
182.15392	0.3
191.03233	0.1
191.14240	0.2
201.16376	0.5
210.14867	0.2
213.03908	0.3
217.15959	0.2
219.17426	0.2
237.03915	0.2
239.42445	0.1
279.04971	0.2
281.52725	0.1
297.06033	1.4
467.08041	0.5
467.22354	0.4
467.35919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.4
51.02368	0.8
53.03927	0.5
54.53602	0.2
55.01854	0.2
55.05495	0.3
59.15286	0.1
67.05502	0.8
69.03425	1.0
69.07057	0.4
71.04990	0.3
71.68257	0.2
77.16451	0.1
79.01846	6.6
79.05472	0.3
81.03406	3.0
81.07056	0.5
83.04965	0.1
85.02893	0.4
87.00853	0.2
87.75224	0.1
93.07043	0.3
95.04901	0.2
95.08601	0.5
97.02893	1.7
97.06534	1.3
97.10120	0.2
98.06844	0.3
99.04382	0.2
101.01083	0.1
105.07031	0.3
107.01315	1.6
107.04989	0.2
107.08581	0.4
109.02865	1.4
109.06513	0.2
109.10169	0.2
119.08556	0.3
121.10196	0.3
123.00774	0.3
125.02332	3.3
125.09700	0.2
127.03908	1.7
133.10165	0.2
143.03383	8.1
145.10129	0.2
147.11703	0.2
153.01811	100.0
153.02879	5.8
154.02162	1.7
159.11708	0.3
171.02831	0.9
181.01369	0.2
199.10844	0.2
201.16441	0.2
209.11540	0.2
213.03908	0.2
237.36478	0.2
297.05988	1.2
444.81082	0.2
467.08426	0.6
467.21771	0.2
482.67288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.4
51.02379	1.0
53.00309	0.3
53.03935	0.2
69.03423	0.7
70.88485	0.2
71.05574	0.2
78.89795	0.2
79.01846	6.9
81.03404	3.3
92.15234	0.2
97.02884	1.7
99.04401	0.3
107.01308	1.7
109.02869	1.5
121.25814	0.2
123.00755	0.3
125.02339	3.5
127.03905	1.7
143.02238	0.4
143.03378	8.3
153.01808	100.0
153.02884	6.2
154.02145	2.0
171.02855	0.7
224.03987	0.2
237.71222	0.2
297.06104	1.1
362.91620	0.2
467.07990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03941	0.2
55.05491	0.2
59.19733	0.2
67.05487	0.5
69.00701	0.2
69.03439	0.9
69.07053	0.3
69.39429	0.8
74.16701	0.2
79.01846	6.7
79.05505	0.2
81.03417	2.3
81.07034	0.4
85.02890	0.3
93.07037	0.3
95.08591	0.5
96.08933	0.3
97.02887	2.0
105.07009	0.5
107.01313	1.5
107.08564	0.3
109.02861	1.1
109.06448	0.2
109.10158	0.8
119.08555	0.3
121.10152	0.2
123.00800	0.3
125.02345	3.4
127.03906	1.7
133.10114	0.3
134.10544	0.2
135.11656	0.2
143.03383	7.7
145.10112	0.3
153.01816	100.0
153.02887	5.8
154.02141	1.6
161.13234	0.3
171.02875	0.8
173.09619	0.2
213.03897	0.3
215.14529	0.2
237.03949	0.5
264.16711	0.2
279.05023	0.3
297.06039	1.3
394.28183	0.3
407.91904	0.2
412.28946	0.5
413.29312	0.3
430.30478	0.9
431.30536	0.2
448.30707	0.3
449.07181	0.2
467.08273	0.5
476.04691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.4
51.02367	1.1
53.03934	0.7
55.01870	0.2
55.05498	0.5
61.48825	0.2
67.05496	0.4
69.03423	1.7
69.07050	0.5
71.05006	0.2
73.04350	0.2
79.01847	7.3
79.05473	0.4
79.22067	0.2
80.18414	0.2
81.03410	3.2
81.07022	0.9
85.02929	0.9
91.05470	0.4
93.07037	0.8
95.04951	0.3
95.08598	0.9
97.02885	2.4
97.10175	0.3
98.23504	0.4
99.04449	0.4
105.07015	0.6
107.01312	1.8
107.04922	0.2
107.08597	0.9
109.02855	1.3
109.06492	0.3
109.10131	0.5
111.04441	0.2
119.08555	0.7
121.06458	0.2
121.10103	0.4
122.09659	0.7
123.00777	0.3
123.08076	0.2
123.11682	0.5
125.02338	4.3
127.03888	2.0
131.08583	0.4
133.10121	0.5
143.03383	8.6
143.08658	0.2
145.10170	0.4
153.01811	100.0
153.02879	5.7
154.02129	1.8
157.10091	0.2
159.11700	0.3
161.13255	0.6
171.02878	0.9
171.96199	0.2
191.03378	0.2
191.14204	0.2
201.16264	0.2
297.06076	1.0
305.13519	0.4
332.78442	0.2
353.79065	0.2
420.22766	0.2
467.08386	0.4
467.18600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
50.26333	0.1
51.02366	0.6
53.00306	0.1
53.03934	0.3
55.01863	0.2
60.02425	0.1
69.03413	1.2
69.70232	0.2
69.70616	0.2
71.04990	0.2
76.42731	0.1
79.01844	5.8
80.02196	0.1
81.03405	3.3
83.11642	0.1
85.02903	0.5
93.07034	0.1
97.02884	2.3
98.22650	0.2
99.04446	0.2
107.01301	1.8
109.02873	1.6
123.00780	0.2
125.02335	3.4
127.03898	2.3
136.07680	0.1
137.02310	0.9
143.02229	0.3
143.03378	6.9
153.01805	100.0
153.02864	5.6
154.02132	1.7
161.07126	0.1
163.03923	0.2
166.08673	0.1
171.02856	1.5
179.03339	0.1
191.03476	0.1
200.18916	0.1
206.99110	0.1
213.03902	0.4
233.04478	0.1
234.67274	0.1
237.03976	0.2
237.33092	0.1
269.12808	0.2
279.04910	0.2
297.06006	1.4
305.02789	0.3
305.06348	0.1
305.14838	0.3
315.07013	0.2
423.12677	0.1
449.07462	0.1
466.27585	0.2
467.08096	0.7
467.28198	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	467.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02372	1.2
52.94846	0.2
53.03935	0.4
55.01869	0.5
55.05505	0.6
57.03421	0.2
66.56371	0.2
67.05504	1.0
69.03419	1.2
69.07056	0.9
69.07400	0.2
71.04971	0.3
79.01849	6.6
79.05488	1.0
81.03411	3.7
81.07051	1.3
82.07417	0.2
83.08621	0.4
85.02885	0.5
85.06526	0.3
91.05470	0.8
93.07027	1.0
95.04961	0.5
95.08606	1.1
97.02885	1.6
97.06522	2.4
97.10156	0.3
98.06840	0.4
99.04398	0.4
101.94072	0.2
105.07018	0.6
107.01302	2.0
107.08580	0.7
109.02868	1.0
109.06498	0.5
109.10133	0.6
117.07011	0.3
119.08557	0.9
121.10113	0.6
123.11691	0.3
125.02350	3.5
127.03911	1.6
131.08565	0.3
133.10086	0.6
135.11687	0.4
143.03387	7.9
145.10133	0.3
147.11688	0.5
153.01817	100.0
153.02884	5.9
154.02161	1.9
157.10088	0.2
159.11745	0.3
161.04266	0.2
171.02853	0.9
171.11627	0.3
183.11705	0.3
201.09158	0.3
214.41870	0.2
297.05896	1.2
305.24591	0.3
342.17847	0.3
385.16095	0.3
386.16696	0.5
432.17328	0.4
449.30362	0.2
467.08243	0.5
467.28973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1157
Annotation	BENFOTIAMINE
Peak:m/z	Relative Intensity
53.83176	0.3
54.20265	0.2
61.47609	0.3
62.79047	0.2
69.03426	0.3
70.53541	0.4
75.22164	0.3
76.20235	0.3
79.01431	0.2
79.01846	1.4
81.03402	0.3
86.48459	0.2
97.02897	0.5
107.01254	0.4
109.02870	0.4
119.25350	0.3
125.02338	0.7
127.03899	0.8
137.24159	0.3
137.81291	0.2
143.03349	1.7
153.01810	24.8
153.02879	1.5
154.02098	0.3
188.22197	0.3
234.59886	0.3
342.45444	0.3
467.11545	100.0
468.11874	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.118
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.02366	1.2
53.03926	0.6
62.07666	0.4
69.03431	2.2
69.74712	1.9
74.65150	0.5
74.83160	0.4
79.01848	6.5
80.02576	0.5
81.03414	3.0
85.02887	2.2
86.99337	0.5
97.02883	2.9
98.22807	0.8
107.01299	2.2
107.21518	0.5
109.02853	1.9
109.83901	0.5
123.04366	0.5
125.02328	4.1
127.03928	3.5
135.05484	0.6
137.02328	34.8
137.03426	2.6
138.02672	1.2
138.45740	0.5
139.03883	1.6
143.03375	7.5
147.04407	0.5
153.01807	100.0
153.02881	5.7
154.02155	2.2
163.03864	1.1
171.02853	1.7
171.92487	0.5
177.01791	0.7
179.03415	2.2
195.02933	0.6
201.70483	0.5
203.03368	0.8
237.04036	0.7
270.44727	0.5
280.24231	0.5
287.05508	1.5
297.06079	1.7
305.06516	5.2
329.06464	1.5
482.12225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02374	0.8
51.73940	0.5
53.03954	0.8
55.01877	0.9
55.05507	3.0
67.05496	2.7
69.03416	3.3
69.07050	3.3
69.99597	1.6
71.04991	0.9
73.02902	0.6
79.01851	5.3
79.05489	2.2
81.03409	4.6
81.07048	7.1
83.04996	2.0
83.08604	1.1
85.02893	1.7
85.06534	1.6
91.05445	2.6
93.07041	4.3
95.04961	1.3
95.08610	4.8
97.02884	2.3
97.06516	1.6
97.10175	2.2
98.22798	0.6
99.04450	1.8
105.03391	0.6
105.07044	3.7
107.01311	1.1
107.08582	3.6
109.02875	2.5
109.06506	1.3
109.10166	3.1
111.04447	1.1
111.08047	0.9
117.06995	0.6
119.01907	0.5
119.08546	2.8
121.10117	2.6
122.40650	0.6
123.00841	0.6
123.08068	0.6
123.11721	2.1
125.02348	3.2
125.09666	0.8
127.03905	3.6
131.08574	1.9
133.10117	3.2
134.87701	0.5
135.11722	1.7
137.13257	0.8
139.11174	0.8
143.03366	6.9
145.10115	1.9
147.11673	2.3
149.09615	1.0
149.13249	1.4
153.01819	100.0
153.02892	5.6
154.02219	2.6
157.10126	1.4
159.11690	1.8
161.13237	0.8
163.14771	0.8
171.02945	0.7
171.11714	0.8
173.09560	0.6
173.13206	1.2
175.14839	0.7
185.13264	0.9
191.14369	0.7
199.14731	0.6
201.12654	0.7
201.16353	1.0
203.05260	6.3
204.57397	0.6
217.19603	0.6
223.77315	0.6
243.13475	1.5
255.20020	0.6
269.22540	0.6
287.12488	2.0
297.05936	1.3
301.91470	0.5
305.13562	14.6
305.17126	0.7
305.24628	0.9
316.81192	0.6
467.18671	64.7
468.18997	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	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03935	1.8
55.01852	2.2
55.05501	3.5
56.05020	1.0
57.03428	0.8
61.02913	0.7
65.03915	0.7
67.05493	6.2
67.67741	0.5
68.05816	0.7
68.99787	1.0
69.03064	0.5
69.03420	7.3
69.07055	5.7
70.07396	0.6
71.04973	1.3
73.02888	1.5
77.03910	0.5
79.01837	5.5
79.05482	5.2
80.05791	0.8
81.03401	7.9
81.07047	12.6
82.07366	1.5
83.04977	1.1
83.08614	1.6
85.02892	9.2
85.06528	1.3
87.00813	3.6
87.04433	0.4
91.05458	6.1
92.05775	0.7
93.07034	10.1
94.07361	1.3
95.04964	2.7
95.08592	10.4
96.08922	1.7
97.02885	6.5
97.06508	2.0
97.10133	1.2
99.04458	2.3
99.08078	0.4
103.03917	0.9
105.01857	2.0
105.03331	0.5
105.04530	0.7
105.07017	11.9
106.07349	0.8
107.01305	1.6
107.04935	0.5
107.08571	12.9
108.08897	0.9
109.02859	5.3
109.06504	2.1
109.09408	0.9
109.10137	11.0
110.10479	3.7
111.04419	0.7
111.08082	1.3
115.03893	0.8
115.05421	0.9
117.01815	0.5
117.06999	2.3
119.06013	0.6
119.08556	8.5
120.08883	0.8
121.06483	1.6
121.10122	9.0
122.09669	0.8
122.10452	1.0
123.00756	0.4
123.04394	0.8
123.08045	1.4
123.11707	1.3
124.08401	0.5
125.02334	3.4
125.09620	0.9
127.03895	7.5
127.11163	0.7
128.06189	1.1
129.06989	2.2
130.07805	0.7
131.08553	5.5
132.08887	0.6
133.10098	5.7
134.10435	1.0
135.08060	1.0
135.11673	1.8
136.07596	0.8
137.05980	1.8
137.09607	0.9
137.13217	0.5
139.11230	0.5
141.05449	0.5
141.07007	0.5
142.07813	0.8
143.03381	7.6
143.08531	2.7
144.09280	1.3
145.04965	2.1
145.10114	9.2
146.10464	0.6
147.02908	0.6
147.07986	1.2
147.11688	4.5
148.11940	0.5
149.09666	1.2
149.13252	1.8
151.03955	0.5
151.07530	0.6
151.11195	0.6
153.01807	100.0
153.02872	5.6
154.02165	1.7
155.08488	1.2
156.09174	0.6
157.10104	2.9
158.10457	0.4
159.02843	2.5
159.08000	1.1
159.11678	9.0
160.12010	0.9
161.09593	1.5
161.13239	4.1
162.09929	0.6
162.13583	1.2
163.07538	0.7
163.11177	1.1
163.14810	0.9
168.59467	0.4
169.04919	1.8
169.10146	1.1
170.10742	0.6
171.02881	1.3
171.08012	0.7
171.11664	1.8
172.08405	0.5
172.12300	0.4
173.09665	1.2
173.13210	3.1
174.09921	0.9
175.11162	0.9
175.14806	1.2
177.12581	0.5
177.16409	0.6
179.14279	1.2
180.14549	0.9
181.10089	0.8
183.11644	0.7
185.13213	1.6
187.11127	1.1
187.14807	1.4
188.11449	0.5
189.12799	0.8
192.11005	0.5
195.11601	0.9
197.13217	1.0
198.13554	0.6
199.14799	1.5
201.12686	0.5
201.16368	7.2
202.16757	0.6
203.14287	0.8
203.17967	1.2
210.13393	0.4
211.14798	0.7
213.03899	0.6
213.12691	0.7
213.16360	0.9
214.13037	0.4
214.16821	0.5
215.14241	1.0
216.14622	1.3
217.15884	1.0
219.17427	2.3
221.13235	0.5
223.14752	0.6
225.12616	0.6
231.04970	0.9
231.13762	0.8
231.17416	0.5
232.14171	0.8
233.15300	1.4
234.15637	1.7
243.17476	0.8
247.17021	0.4
250.15150	0.7
280.16379	0.5
291.17249	0.6
297.06058	1.6
305.24835	0.5
309.18448	0.8
320.09103	0.4
327.19452	1.1
336.52179	0.4
356.22943	1.1
374.24020	1.1
375.24600	0.5
394.27969	1.5
395.28357	0.9
412.29193	2.4
413.29697	3.0
430.30237	3.3
431.30661	5.1
448.31351	1.1
449.31232	1.4
467.08484	0.7
467.18253	7.1
467.29767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.3
56.05030	0.3
57.03429	0.2
58.06604	0.4
59.61061	0.2
60.08157	7.3
60.08464	0.4
66.30791	0.2
69.48643	1.0
70.23679	0.3
71.07368	3.2
79.05472	0.3
81.03407	0.3
81.07031	0.7
85.02908	0.5
86.09697	31.2
87.10027	0.6
91.05490	0.5
93.07030	0.3
94.78275	0.2
95.04936	0.5
95.08566	0.3
97.06485	0.2
98.98463	2.8
104.10740	3.5
105.07040	0.5
107.04960	0.2
124.99992	23.0
127.03891	0.3
133.10091	0.3
153.01823	3.7
153.02995	0.2
154.02138	1.8
184.07321	100.0
185.07681	1.4
228.88480	0.3
304.05252	0.6
305.05338	0.4
306.05795	0.6
433.08807	0.2
450.22452	0.5
468.18213	0.2
468.23645	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	8.8
55.01891	6.4
60.08167	11.2
63.86342	6.8
69.03418	16.7
70.20357	12.8
70.20686	8.1
71.04993	9.7
71.99332	7.4
73.83195	6.2
79.05490	7.4
81.03400	39.9
81.07059	21.4
83.04980	11.6
86.09709	30.6
93.07038	21.4
95.08614	10.7
95.58572	6.8
97.06519	7.4
99.04445	16.7
100.73315	7.2
104.10732	41.3
105.07051	11.4
109.02863	14.3
109.06527	9.6
111.08101	7.9
121.06503	25.0
125.00002	12.5
127.03844	9.8
127.07549	8.5
139.07602	8.4
147.09134	8.9
147.11635	13.7
153.01802	44.7
154.02199	17.6
154.04980	15.3
165.12704	10.9
171.11734	8.2
173.07111	9.6
175.08627	9.2
175.11172	8.7
183.35796	8.0
184.07338	59.7
184.59285	6.7
191.08136	100.0
193.12169	10.4
199.11266	10.7
211.13213	9.8
217.12306	33.3
235.13292	41.9
236.82626	7.8
253.14313	63.7
271.15457	9.9
272.08273	8.6
289.11935	13.8
289.16376	7.6
307.12811	28.6
325.13855	23.8
412.53180	9.9
451.16916	9.5
468.23511	13.8
477.36612	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	468.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	8.1
56.36418	2.6
57.03407	6.6
59.42833	3.4
63.85683	3.1
67.05482	7.8
69.03425	17.2
69.07040	5.5
75.04465	5.5
79.01831	3.8
79.05480	24.8
81.03407	10.5
81.07026	19.4
85.02891	7.7
91.05474	19.9
93.07031	99.0
95.04942	13.1
95.08572	15.9
97.02876	10.6
97.06518	10.1
97.10181	3.6
99.04446	4.1
100.01060	3.5
105.07017	27.5
107.08582	35.4
109.06505	3.6
109.10136	9.4
111.08087	5.4
117.06973	6.2
119.08566	30.2
121.10130	100.0
127.03893	5.1
129.06975	5.0
131.08539	13.1
133.10106	13.4
135.11664	3.2
139.11180	4.8
143.03366	6.3
143.08562	5.4
145.10097	15.6
147.08015	3.3
147.11655	7.5
149.09590	18.4
153.01819	69.0
153.02982	5.0
154.02139	39.8
155.02251	3.5
157.10135	7.7
159.11696	10.4
161.13223	9.7
163.14812	4.2
167.10648	32.2
171.11679	3.9
173.13206	5.5
175.14734	3.7
187.14822	7.7
189.16370	11.0
197.13158	4.0
199.14830	6.4
201.16322	10.6
203.17686	4.6
215.17937	7.1
217.15897	4.5
235.16840	3.1
293.13806	4.7
311.14761	18.3
405.31271	3.4
423.32907	3.9
433.17679	3.7
468.26273	13.5
469.20615	28.4
469.33167	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	468.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47381	3.7
55.05507	7.7
61.02908	10.4
67.05486	10.2
69.03416	11.4
69.07050	6.9
71.04980	13.5
74.18103	3.2
79.05475	5.7
81.03404	6.8
81.07038	12.9
83.04970	9.3
83.08601	5.9
85.02887	8.6
86.09702	5.8
87.04447	6.4
93.07045	26.7
95.04955	15.0
95.08582	14.8
97.02864	5.5
99.08083	4.7
105.05492	17.0
105.07023	8.8
107.08591	16.4
108.08102	4.3
109.02837	5.4
109.10149	28.6
113.06011	6.3
119.08602	7.7
121.10126	20.9
124.99985	4.7
125.09615	4.0
127.03905	4.8
127.11186	32.5
129.05473	5.4
131.07034	8.4
131.08560	9.5
133.10136	4.7
143.03372	4.6
145.10133	4.4
147.11676	5.0
149.09641	7.8
149.13213	15.3
151.11073	3.7
153.00627	7.5
153.01817	91.7
153.02957	3.8
154.02164	43.0
154.08664	4.0
167.10696	4.8
167.14302	50.5
172.53462	3.8
184.07339	17.0
196.55379	3.9
217.15872	9.4
220.96394	3.8
235.16948	12.1
253.17944	16.7
266.16388	4.2
271.19037	7.0
311.15002	5.0
355.81555	4.2
361.56598	3.8
414.26465	4.1
469.13052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.07071	67.5
67.05495	2.3
69.07051	6.4
71.08626	51.3
73.06550	3.2
76.81288	1.1
78.69092	1.0
83.08608	3.0
84.27950	1.1
85.10175	35.0
86.10528	1.2
87.04459	3.2
89.06023	100.0
97.10149	5.0
99.11716	9.8
107.07069	3.7
109.71447	1.5
111.11700	4.1
113.13280	5.0
117.09122	2.9
120.20748	1.2
130.08643	2.0
131.06934	1.2
133.08594	57.6
169.19557	3.4
177.11194	20.3
195.12241	2.7
213.22107	1.1
221.13829	1.9
228.90750	1.4
239.14862	2.9
257.24707	4.3
283.17499	25.8
284.17874	1.5
301.27454	2.7
304.15915	1.2
338.09058	1.2
384.23737	1.4
449.95935	1.2
451.36243	19.3
468.35132	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	468.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	55.8
58.48101	2.9
58.66793	3.1
64.71758	3.2
66.06091	2.7
69.07073	7.6
71.08625	31.7
71.43322	4.6
73.06553	3.4
74.63012	2.8
83.08605	3.0
85.10172	22.1
89.06024	100.0
99.11735	7.7
107.07068	3.2
118.30619	3.2
133.08585	57.1
133.09546	3.7
134.98190	8.4
144.37263	3.3
151.82695	3.0
177.11182	18.9
195.12389	4.6
239.14911	4.1
273.66046	3.1
283.17480	28.7
344.91266	3.5
451.22366	3.9
451.36343	19.1
469.23300	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.2
57.07072	59.5
58.68364	1.5
62.50687	1.4
67.05496	3.0
69.07070	5.3
71.08623	43.5
71.42163	1.7
73.06570	3.8
81.07067	3.5
82.46759	1.3
83.08628	2.8
85.10172	29.3
87.04464	2.7
89.06020	100.0
93.07055	2.3
95.08611	1.5
97.10154	3.4
99.11733	6.9
106.38877	1.4
107.07056	3.8
111.11718	2.8
113.13281	3.5
127.14816	1.9
130.08688	2.3
133.08592	61.2
151.09746	1.7
169.19510	6.3
177.11211	26.7
177.12593	2.7
195.12363	1.9
213.22189	2.6
221.13809	2.4
239.14873	3.0
257.24826	5.5
283.17484	26.4
301.27390	2.9
314.27628	3.4
363.30984	1.9
407.33789	2.2
451.36227	17.0
468.35303	79.5
469.34705	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	469.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26274	0.4
55.05486	0.4
56.54921	0.4
69.03410	0.7
69.30305	0.7
69.30661	2.1
73.02884	1.3
79.05484	0.4
81.07050	2.0
83.04939	0.5
85.02853	0.5
98.09682	1.0
98.23315	1.4
100.11251	2.6
111.04386	0.7
113.02093	0.5
124.25260	0.4
128.07114	0.5
131.04906	0.6
153.01817	3.8
154.02100	1.2
155.02197	0.8
175.03630	1.3
178.86212	0.4
182.15283	1.0
185.04178	1.5
189.99251	0.4
190.57509	0.4
207.14848	0.6
209.16400	0.6
210.14940	0.7
229.06804	2.0
232.07011	1.1
279.80634	0.4
285.09158	0.5
317.08386	13.5
318.08496	0.5
324.26392	0.9
337.08707	1.7
433.31485	0.9
445.84799	0.5
451.32825	5.1
469.12836	100.0
469.33493	3.5
470.13159	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1339
Annotation	Glochidionolactone D
Peak:m/z	Relative Intensity
51.02374	0.8
55.01875	1.2
57.03421	1.0
58.11340	0.7
69.03410	4.1
70.06601	1.3
71.04987	0.7
71.42746	0.8
73.02903	0.9
79.01844	5.6
81.03410	7.7
83.04948	1.1
85.02908	7.4
85.06585	0.9
91.05457	2.2
95.04940	0.9
95.08599	0.8
97.02882	5.9
97.19655	0.6
99.04468	1.2
101.06033	0.9
103.03918	3.2
103.05407	0.7
105.05797	0.7
105.07029	2.0
107.01324	1.6
109.02871	4.1
111.04461	0.8
112.07605	1.1
115.05522	0.6
119.04911	1.6
123.04419	0.7
123.08050	1.0
124.11287	0.8
125.02312	2.7
127.03905	6.5
128.06204	1.2
129.06960	2.1
130.05000	0.9
131.04959	0.8
133.06488	1.4
137.05962	6.2
139.03925	0.8
143.03371	6.7
143.08521	0.7
145.04951	0.9
145.06398	1.0
147.04384	3.4
149.06004	1.9
151.06456	0.6
151.07515	3.4
153.01813	100.0
153.02863	4.4
154.02165	2.7
155.02260	1.4
155.07085	0.9
157.05022	0.7
157.06482	2.5
159.08084	0.8
161.05957	4.2
163.03960	1.0
165.05443	7.9
167.03343	1.1
171.02866	6.3
171.08037	0.8
173.05925	1.8
175.07550	3.1
177.05403	1.3
178.08652	2.0
179.07002	4.5
181.06464	0.9
185.05968	1.6
187.07538	1.1
189.05397	0.9
191.07040	1.5
193.08643	0.7
195.02789	1.0
195.06564	1.2
199.07574	2.2
201.05423	0.8
202.10686	1.4
203.07001	6.4
205.08432	0.8
206.08076	1.0
210.14680	0.8
213.03905	2.0
217.08534	1.9
221.08031	4.7
227.07094	1.6
233.08035	1.4
236.12839	0.8
237.03860	1.0
244.73611	0.8
245.08075	8.6
247.10745	0.9
254.42474	0.8
255.04955	3.9
263.09128	6.7
271.13495	0.7
281.10220	1.3
289.11423	0.6
297.06027	2.9
307.12564	4.2
315.07022	4.1
346.56577	0.9
349.14053	1.1
425.14105	2.2
433.16061	1.8
451.17035	2.0
469.12341	6.4
469.16977	10.5
470.13739	1.4
470.20026	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	469.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
55.01875	1.2
57.03421	1.0
58.11340	0.7
69.03410	4.1
70.06601	1.3
71.04987	0.7
71.42746	0.8
73.02903	0.9
79.01844	5.6
81.03410	7.7
83.04948	1.1
85.02908	7.4
85.06585	0.9
91.05457	2.2
95.04940	0.9
95.08599	0.8
97.02882	5.9
97.19655	0.6
99.04468	1.2
101.06033	0.9
103.03918	3.2
103.05407	0.7
105.05797	0.7
105.07029	2.0
107.01324	1.6
109.02871	4.1
111.04461	0.8
112.07605	1.1
115.05522	0.6
119.04911	1.6
123.04419	0.7
123.08050	1.0
124.11287	0.8
125.02312	2.7
127.03905	6.5
128.06204	1.2
129.06960	2.1
130.05000	0.9
131.04959	0.8
133.06488	1.4
137.05962	6.2
139.03925	0.8
143.03371	6.7
143.08521	0.7
145.04951	0.9
145.06398	1.0
147.04384	3.4
149.06004	1.9
151.06456	0.6
151.07515	3.4
153.01813	100.0
153.02863	4.4
154.02165	2.7
155.02260	1.4
155.07085	0.9
157.05022	0.7
157.06482	2.5
159.08084	0.8
161.05957	4.2
163.03960	1.0
165.05443	7.9
167.03343	1.1
171.02866	6.3
171.08037	0.8
173.05925	1.8
175.07550	3.1
177.05403	1.3
178.08652	2.0
179.07002	4.5
181.06464	0.9
185.05968	1.6
187.07538	1.1
189.05397	0.9
191.07040	1.5
193.08643	0.7
195.02789	1.0
195.06564	1.2
199.07574	2.2
201.05423	0.8
202.10686	1.4
203.07001	6.4
205.08432	0.8
206.08076	1.0
210.14680	0.8
213.03905	2.0
217.08534	1.9
221.08031	4.7
227.07094	1.6
233.08035	1.4
236.12839	0.8
237.03860	1.0
244.73611	0.8
245.08075	8.6
247.10745	0.9
254.42474	0.8
255.04955	3.9
263.09128	6.7
271.13495	0.7
281.10220	1.3
289.11423	0.6
297.06027	2.9
307.12564	4.2
315.07022	4.1
346.56577	0.9
349.14053	1.1
425.14105	2.2
433.16061	1.8
451.17035	2.0
469.12341	6.4
469.16977	10.5
470.13739	1.4
470.20026	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	469.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
55.01875	1.2
57.03421	1.0
58.11340	0.7
69.03410	4.1
70.06601	1.3
71.04987	0.7
71.42746	0.8
73.02903	0.9
79.01844	5.6
81.03410	7.7
83.04948	1.1
85.02908	7.4
85.06585	0.9
91.05457	2.2
95.04940	0.9
95.08599	0.8
97.02882	5.9
97.19655	0.6
99.04468	1.2
101.06033	0.9
103.03918	3.2
103.05407	0.7
105.05797	0.7
105.07029	2.0
107.01324	1.6
109.02871	4.1
111.04461	0.8
112.07605	1.1
115.05522	0.6
119.04911	1.6
123.04419	0.7
123.08050	1.0
124.11287	0.8
125.02312	2.7
127.03905	6.5
128.06204	1.2
129.06960	2.1
130.05000	0.9
131.04959	0.8
133.06488	1.4
137.05962	6.2
139.03925	0.8
143.03371	6.7
143.08521	0.7
145.04951	0.9
145.06398	1.0
147.04384	3.4
149.06004	1.9
151.06456	0.6
151.07515	3.4
153.01813	100.0
153.02863	4.4
154.02165	2.7
155.02260	1.4
155.07085	0.9
157.05022	0.7
157.06482	2.5
159.08084	0.8
161.05957	4.2
163.03960	1.0
165.05443	7.9
167.03343	1.1
171.02866	6.3
171.08037	0.8
173.05925	1.8
175.07550	3.1
177.05403	1.3
178.08652	2.0
179.07002	4.5
181.06464	0.9
185.05968	1.6
187.07538	1.1
189.05397	0.9
191.07040	1.5
193.08643	0.7
195.02789	1.0
195.06564	1.2
199.07574	2.2
201.05423	0.8
202.10686	1.4
203.07001	6.4
205.08432	0.8
206.08076	1.0
210.14680	0.8
213.03905	2.0
217.08534	1.9
221.08031	4.7
227.07094	1.6
233.08035	1.4
236.12839	0.8
237.03860	1.0
244.73611	0.8
245.08075	8.6
247.10745	0.9
254.42474	0.8
255.04955	3.9
263.09128	6.7
271.13495	0.7
281.10220	1.3
289.11423	0.6
297.06027	2.9
307.12564	4.2
315.07022	4.1
346.56577	0.9
349.14053	1.1
425.14105	2.2
433.16061	1.8
451.17035	2.0
469.12341	6.4
469.16977	10.5
470.13739	1.4
470.20026	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	469.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	32.3
58.99228	3.8
61.56739	4.1
67.05473	5.4
69.03410	6.2
79.05479	5.1
81.03392	8.5
81.07034	13.9
83.08550	4.5
83.74657	4.6
85.02885	7.8
86.29960	4.1
91.05466	7.5
93.07016	10.9
95.08595	13.0
97.02888	6.0
98.97554	19.2
105.07024	19.1
107.04901	4.8
107.08588	13.7
108.47314	4.3
109.02846	12.8
109.10150	11.1
119.08552	15.2
121.10120	6.6
125.38214	4.1
131.08540	10.5
131.10260	4.8
133.10097	18.3
137.09610	7.0
141.06992	5.9
143.03391	7.9
143.08536	5.1
145.10124	12.5
147.11638	9.4
149.09633	5.3
153.01796	79.1
153.02997	4.5
154.02127	28.1
155.02309	22.1
157.10086	6.4
158.99649	5.4
159.11700	9.5
163.04214	4.4
173.13161	10.1
181.05276	9.4
185.13168	8.1
187.14818	9.5
189.16336	6.7
191.14314	7.2
199.14783	7.9
205.15913	5.9
245.08484	15.8
263.09525	45.7
265.07501	7.3
281.10495	28.6
305.10464	8.9
307.08340	40.0
325.09509	21.7
349.09467	36.3
367.10284	5.5
462.98697	4.6
469.14328	100.0
469.20309	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1681
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
61.56139	0.2
66.00848	0.3
66.95650	0.3
68.99542	0.3
69.09590	1.8
69.09930	0.3
81.03157	0.4
82.03940	0.8
83.01078	0.7
84.01861	0.8
95.01080	2.7
96.01858	1.1
108.07879	0.3
112.01327	1.7
113.02125	3.1
126.02937	0.4
139.03630	0.3
141.01559	0.4
141.05194	0.4
149.59671	0.2
157.04756	0.8
167.03189	0.6
185.04201	5.6
195.88841	0.3
201.03644	0.9
202.04387	0.5
203.05281	1.1
217.04738	2.0
232.07040	15.2
233.07439	0.4
243.08478	0.8
257.14673	0.3
259.07800	2.4
275.08881	1.4
322.34137	0.3
423.12527	0.4
438.15030	1.9
439.15918	1.6
469.16779	100.0
470.17154	5.5
470.23740	0.3
474.57510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
53.29312	0.5
55.01868	0.6
57.03414	0.5
62.23566	0.4
66.54104	0.4
67.05470	0.5
69.03416	1.1
70.06577	0.5
71.43056	0.5
78.40258	0.5
79.01855	2.5
79.05474	0.6
81.03397	2.0
82.03943	0.6
83.01089	0.7
84.01871	0.6
85.02896	3.7
91.05466	1.0
93.48981	0.7
95.01077	2.6
95.04946	0.5
96.01868	1.3
97.02879	2.1
103.03913	1.2
105.07038	0.5
106.49490	0.6
109.02843	1.3
112.01362	1.2
113.02110	4.0
115.05385	0.6
123.04401	1.1
123.89630	0.5
124.07494	0.5
125.02343	2.0
126.02897	0.8
127.03901	2.5
128.06184	0.6
129.07007	1.0
133.06453	0.8
133.87773	0.5
135.04422	0.5
137.05948	2.5
143.03372	2.4
147.04442	1.2
149.05930	1.4
151.07530	1.0
153.01819	52.9
153.02875	2.2
154.02158	4.4
155.02275	3.0
157.06453	0.8
161.05966	1.6
165.05478	3.7
171.02898	2.3
175.07504	1.2
177.05478	0.6
179.06912	1.1
181.06425	0.7
185.04236	5.3
185.05887	0.8
195.02864	0.9
195.06461	0.6
201.03683	1.5
203.05313	1.0
203.07013	2.8
208.16461	0.5
217.04756	2.3
217.08598	1.3
220.06990	0.9
221.07968	3.5
227.07047	0.8
232.07036	15.4
233.07756	1.5
245.08054	3.6
255.04948	1.3
259.07840	3.1
263.09164	3.3
271.04333	1.2
275.08746	1.4
277.91772	0.5
297.06119	1.1
307.11804	0.8
315.06958	2.0
383.13080	1.4
407.12277	0.5
425.14041	6.8
426.14862	0.7
432.49146	0.5
438.15033	2.2
439.15384	2.1
469.17221	100.0
470.17331	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	469.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.8
51.02367	1.5
53.03927	0.8
55.01866	1.4
55.05493	1.6
57.03410	1.1
65.03925	0.6
67.05496	8.8
69.03436	4.3
69.07063	0.7
71.01360	0.6
71.04977	2.9
71.09238	0.8
71.21117	0.5
73.17151	0.6
79.01852	5.3
79.05486	1.3
81.03422	7.8
81.07047	3.4
83.04980	3.4
85.02888	2.1
91.05470	1.8
92.70760	0.5
93.07036	1.8
95.04934	3.1
95.08601	6.6
97.02878	4.2
99.04450	3.7
107.01293	1.5
107.08578	1.5
109.02895	4.4
109.06516	1.3
109.10154	8.5
111.04471	1.1
115.71662	0.6
119.08573	0.6
123.04388	0.5
125.02326	3.1
127.03919	5.6
129.06938	0.7
129.93132	0.6
137.06015	3.6
137.09599	18.6
138.09111	0.6
143.03401	6.4
145.05017	1.0
145.06421	0.7
147.04364	0.7
151.07530	1.3
153.01817	100.0
153.02881	4.9
154.02159	4.0
155.10666	10.9
156.10175	1.7
163.07567	1.1
167.07153	0.6
171.02881	7.8
175.07529	1.3
179.06963	0.7
191.08116	1.2
198.69170	0.6
219.10052	0.6
245.11798	0.7
297.06067	5.9
307.12735	0.6
315.07114	5.2
321.07794	0.9
379.08145	0.6
433.08771	0.8
443.29770	0.6
451.10211	0.6
451.16788	0.9
469.10989	0.7
469.16751	1.9
469.21048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01866	1.7
55.05496	1.5
57.03434	2.5
59.04990	0.8
60.08149	0.5
61.02909	0.5
61.40376	0.3
69.03424	11.3
69.19125	2.1
71.01350	0.5
71.04987	6.6
73.02901	0.6
81.03408	26.2
81.07034	0.9
82.03732	0.5
82.62988	0.3
83.04964	5.0
85.02891	1.6
86.09685	1.4
87.04442	0.4
87.10035	0.4
91.05496	0.6
93.07040	0.4
95.04919	0.3
98.09669	0.7
99.04453	11.1
100.07648	0.4
100.11237	0.7
103.03941	1.8
104.10750	2.6
105.11057	0.6
107.08533	0.3
109.02872	9.7
111.04412	0.8
114.43107	0.4
117.05487	2.9
118.06535	3.3
118.84954	0.3
124.99998	0.8
127.03896	2.7
128.07095	0.5
145.07584	5.7
147.08046	0.7
147.09158	9.2
150.73590	0.3
153.01796	1.2
162.07802	0.8
163.08661	1.3
173.07088	11.0
173.08513	0.7
174.78717	0.4
175.08650	11.8
176.09149	0.5
182.15431	1.0
183.72879	0.3
184.07344	2.4
185.07620	0.4
187.08665	0.6
190.07335	0.6
191.08130	100.0
192.08453	3.7
198.14862	0.8
199.08661	1.0
203.08095	0.9
204.08955	1.1
205.09651	0.5
210.14873	0.8
213.10176	0.9
215.08328	0.4
215.11821	0.5
226.14328	0.9
227.08162	0.4
231.11250	1.0
233.09167	0.9
243.08800	0.4
243.11292	0.8
271.08139	0.3
271.10693	2.1
289.11777	7.5
307.12836	33.8
308.13126	1.5
325.13898	31.0
326.14352	1.8
331.12857	7.4
337.21170	0.6
349.13937	5.7
350.14200	0.4
354.23651	0.6
371.16037	1.8
389.17078	3.3
391.14969	0.5
397.13980	4.4
398.14188	0.6
407.18100	0.7
415.14938	8.8
433.09918	0.5
433.16040	8.4
434.16284	0.4
451.10782	0.4
451.17053	8.4
451.23096	0.4
452.17331	0.4
452.31427	0.4
469.33792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01866	3.7
57.03426	2.0
59.04990	0.9
68.29269	0.5
69.03420	10.1
71.01337	0.7
71.04986	6.7
71.12559	0.8
71.33279	0.5
72.07132	0.5
77.54176	0.5
79.01835	0.5
79.05467	0.8
81.03414	10.4
81.03885	0.7
81.07017	0.5
83.04985	1.8
85.02876	0.7
91.05450	2.4
95.04955	0.8
95.08577	0.7
96.08125	0.5
97.02928	0.8
97.06514	0.7
99.04449	5.6
103.05466	0.6
106.16032	0.5
109.02860	3.0
111.04430	0.8
116.04916	0.7
117.05469	2.2
117.07016	0.8
118.06522	2.9
119.06961	0.5
121.06556	0.5
122.03648	0.9
123.04414	0.5
127.03878	1.0
131.04932	0.9
133.06482	0.6
137.05972	5.5
137.09654	0.5
143.03456	0.8
145.06467	0.8
145.07544	4.8
147.04384	0.9
147.09155	4.2
149.05943	0.9
151.07504	1.3
153.01820	6.7
153.02934	0.9
154.02126	1.2
155.02220	0.9
156.10210	0.6
161.05972	1.0
163.07507	0.9
163.08676	0.7
169.06566	0.8
173.07117	10.4
174.06758	0.8
174.97998	0.6
175.08698	5.7
179.07056	0.7
182.68369	0.5
183.06479	0.6
184.07420	0.5
187.07555	0.5
191.08136	100.0
192.08505	2.6
230.06055	0.5
233.09210	0.5
249.27444	0.5
273.11246	0.6
289.11856	2.6
307.12839	55.0
308.13223	2.2
323.25882	0.5
325.13925	14.4
325.17822	0.8
397.14172	0.6
403.63846	0.5
409.15964	0.9
415.14890	0.9
433.16223	2.6
469.19418	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
66.71133	0.6
67.05495	1.2
69.07059	0.8
69.69693	1.4
69.70021	1.0
79.01871	1.1
81.03410	0.9
81.07040	0.7
88.59248	0.6
91.05450	0.7
93.07040	1.3
95.08592	0.9
97.02884	0.6
98.23441	0.7
102.57488	0.6
105.07056	0.8
107.04942	0.6
107.07330	1.1
107.08605	1.6
109.10242	0.7
119.08547	1.1
122.09650	10.2
123.10033	1.5
127.03922	1.1
131.08582	1.2
133.10126	0.9
137.18018	0.6
150.17410	0.7
153.01836	11.7
154.02151	4.4
155.02272	4.3
273.10831	0.6
307.15140	33.7
397.13934	0.8
423.32587	1.0
441.21890	1.3
469.20416	100.0
470.20847	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	469.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35224	3.8
53.03933	11.0
55.01866	16.5
55.05502	35.3
57.03429	9.3
57.07059	9.3
61.02924	10.6
67.05502	37.1
68.99777	10.6
69.03423	50.7
69.07061	27.0
71.04980	28.9
73.02898	8.5
79.05482	39.7
81.03402	38.8
81.07043	76.1
83.04962	20.7
83.08608	6.6
85.02892	55.9
85.06535	8.0
87.00811	29.4
87.04430	3.1
91.05470	45.4
93.07035	61.9
95.04947	27.4
95.08595	67.5
97.02893	29.1
97.06521	14.5
97.10161	3.7
99.04454	9.6
99.08118	7.1
103.03918	10.4
103.05456	5.5
105.01876	9.5
105.07031	75.6
107.04935	10.5
107.08584	61.0
109.02850	21.5
109.06509	25.4
109.10142	55.3
111.04436	9.3
111.08069	10.7
115.03934	8.9
115.05411	4.1
117.07024	21.0
119.08568	100.0
121.06504	13.9
121.10134	65.1
122.10461	3.3
123.04433	10.4
123.08066	13.6
123.11709	22.1
125.09601	15.9
127.03899	27.7
127.11189	23.8
128.06207	7.8
129.01814	8.1
129.05518	3.9
129.07004	14.0
130.07776	3.7
131.08565	36.2
133.06490	14.9
133.10112	80.6
134.10468	4.1
135.04475	3.9
135.08066	14.7
135.11691	29.3
136.07626	3.2
137.05968	6.7
137.09593	12.5
137.13206	9.3
139.07520	5.3
139.11186	6.0
141.05447	3.7
141.06995	5.4
141.09077	4.0
142.07739	8.8
142.12242	6.6
143.03435	5.2
143.08539	27.1
144.09267	4.6
145.04926	6.5
145.10098	59.4
147.02850	5.7
147.08035	31.1
147.11665	39.8
149.09619	11.2
149.13235	12.7
151.11150	7.9
153.01804	51.0
153.02896	5.8
153.12738	5.2
154.02144	16.5
155.02240	17.8
155.08569	12.4
156.09348	6.5
156.13895	6.4
157.10098	29.6
158.10838	5.1
159.02866	11.2
159.08046	11.7
159.11673	59.4
161.09607	14.0
161.13235	45.4
163.07576	3.6
163.11166	7.9
163.14810	3.9
165.09143	12.9
165.12746	5.6
167.08525	4.9
168.09372	3.3
169.10107	9.1
171.08073	6.1
171.11671	22.3
172.12428	3.8
173.09607	8.7
173.13269	22.9
175.07549	4.6
175.11192	9.8
175.14813	20.4
177.12726	6.3
177.16364	5.8
181.10136	4.6
182.15540	3.7
183.11642	18.4
184.13373	4.3
185.09616	5.8
185.13210	22.1
187.07544	11.3
187.11092	6.5
187.14798	16.0
189.03883	6.1
189.09047	7.4
189.12708	12.9
189.16362	20.3
191.10666	3.9
191.14261	10.1
193.15837	4.5
195.11638	6.3
197.13239	11.9
199.11081	5.9
199.14786	13.0
201.03899	4.7
201.12758	7.4
201.16374	24.0
203.14285	31.9
203.17950	14.0
205.15886	6.0
207.11780	7.7
208.12372	3.7
210.14941	4.5
213.12762	4.1
213.16467	4.8
215.14339	3.9
215.17923	10.3
217.15915	5.3
218.10788	3.9
219.17429	6.4
221.15285	38.7
223.14825	6.3
225.12772	9.0
227.17989	7.9
231.04832	5.4
231.17459	8.5
233.15375	3.8
233.18922	6.8
235.16924	5.3
241.15886	6.5
243.13731	7.9
243.17569	5.5
245.18953	6.0
259.17010	5.8
263.20114	7.7
287.20386	3.5
293.18964	7.4
311.20010	14.3
329.21005	6.6
405.31277	3.6
415.21005	4.0
433.22214	6.4
451.23203	9.6
451.31961	5.0
469.23901	14.8
469.38147	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
55.01859	16.4
55.05511	26.4
57.03437	8.8
57.07078	9.2
59.04999	5.1
61.02933	11.7
65.03938	10.0
67.05495	43.2
68.99792	10.6
69.03423	61.3
69.07061	31.4
69.28143	15.3
69.28532	10.7
71.04977	51.3
73.02892	10.4
79.01868	7.5
79.05482	45.3
81.03397	50.0
81.03753	4.4
81.07055	95.5
83.04980	21.3
83.08624	14.2
85.02892	69.2
85.06530	8.5
86.71747	5.1
87.00819	38.0
91.05474	42.6
93.07034	83.6
95.04975	31.4
95.08591	84.1
97.02870	38.3
97.06537	13.6
97.10181	11.7
97.31718	6.6
99.04451	14.4
99.08123	7.7
103.03945	14.1
103.05436	8.6
105.01856	15.8
105.07021	100.0
107.04890	10.7
107.08576	73.9
109.02894	22.4
109.06503	18.2
109.10147	71.0
111.04426	10.0
111.08069	12.8
113.05933	5.7
115.03947	10.7
117.06984	26.8
119.08578	90.5
121.06496	17.6
121.10120	67.3
122.09660	38.1
123.04447	17.9
123.08078	16.3
123.10038	12.3
123.11679	28.6
125.09622	21.6
127.03898	27.3
127.11181	37.5
128.06274	8.6
129.01859	18.6
129.06987	12.2
131.08566	39.4
133.06482	20.8
133.10101	64.4
135.04414	8.3
135.08067	15.0
135.11670	40.1
137.05975	9.4
137.09636	14.3
137.13210	6.0
139.11194	6.7
142.07712	7.7
143.03357	9.7
143.08557	31.0
145.04987	7.0
145.06485	5.8
145.10104	70.2
147.02866	9.8
147.08026	9.4
147.11661	63.6
149.09615	15.5
149.13268	13.9
151.07399	5.9
151.11201	16.3
153.01816	89.2
153.02917	9.9
153.12796	12.5
154.02122	34.8
155.02275	35.6
155.08542	14.5
156.09303	9.5
157.10121	43.1
159.02893	10.7
159.08098	11.6
159.11673	74.5
161.09621	14.4
161.13225	25.8
163.07518	9.1
163.11267	12.0
165.09035	8.5
167.08510	7.8
168.09357	6.3
169.10138	19.1
171.08061	7.6
171.11703	31.7
173.09666	12.8
173.13264	32.7
175.11203	14.4
175.14844	11.6
177.09247	5.0
177.12781	10.0
177.16353	10.1
179.08656	8.0
181.10176	8.3
183.11734	18.6
185.09641	8.6
185.13251	21.1
187.11133	9.7
187.14807	15.4
189.03938	10.2
189.09290	6.7
189.12718	16.5
189.16371	30.6
191.14337	11.8
195.11775	7.5
197.13284	14.6
199.11050	8.0
199.14833	8.1
201.12766	12.9
201.16399	33.0
203.14334	9.8
203.17952	34.1
205.15816	5.8
207.11664	12.8
209.13316	6.7
211.11261	6.7
213.12845	7.8
213.16360	9.6
215.14352	10.4
215.18016	8.3
217.16029	6.4
219.17352	9.0
221.19025	11.0
225.12761	16.2
227.14421	8.7
227.17914	7.4
231.17450	11.7
241.15828	8.7
243.13814	10.6
245.19016	18.0
251.14229	5.3
259.16837	6.0
261.18457	5.8
263.20062	8.6
269.18997	9.2
287.20148	9.6
305.20990	6.2
311.19894	25.2
318.60822	5.0
329.21017	17.7
347.22116	6.1
433.22256	9.0
441.21771	5.3
451.23151	24.4
451.28427	6.2
469.24786	42.3
489.48306	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.3
55.01869	15.2
55.05513	27.5
56.49470	2.7
57.03432	8.4
57.07066	7.2
61.02914	4.4
67.05497	34.8
68.99775	3.8
69.03422	33.6
69.06732	4.1
69.07063	23.6
71.04975	7.9
71.42542	3.1
72.21147	3.1
73.02894	5.6
79.05486	26.7
81.03407	26.0
81.07050	68.7
83.04977	13.4
83.08611	13.8
85.02895	41.2
85.06542	4.6
87.00819	18.4
91.05469	53.4
93.07039	100.0
95.04958	27.0
95.08591	56.2
97.02873	20.6
97.06525	8.5
97.10174	8.3
99.04449	10.4
100.07601	3.2
100.11247	11.8
103.03957	3.1
104.37137	3.1
105.01863	9.8
105.04501	6.3
105.07017	53.7
107.04943	5.6
107.08590	55.0
109.02868	20.7
109.06506	12.6
109.10137	47.9
111.04440	4.0
111.08073	25.4
113.84565	3.4
115.03884	6.6
117.07010	8.6
119.08568	48.6
121.10132	34.6
122.09645	4.7
123.08089	9.0
123.11700	15.6
125.05968	3.5
125.09612	11.7
127.03916	23.0
129.01849	4.3
129.04413	3.3
129.06989	7.0
131.08534	18.0
133.06470	5.8
133.10121	27.0
135.08029	6.1
135.11681	22.8
136.07553	3.4
137.09599	10.7
137.13268	3.7
141.06992	5.1
142.07802	4.3
143.08516	8.6
145.04893	5.8
145.10136	26.9
147.02901	2.9
147.08051	4.8
147.11685	44.6
149.09581	9.8
149.13257	5.8
151.07523	3.6
151.11185	5.5
153.01799	13.7
153.09113	3.8
154.02184	4.2
155.02287	4.0
155.08549	3.7
156.13826	11.9
157.10156	14.2
159.02812	4.3
159.07977	3.6
159.11691	22.4
161.09644	6.3
161.13264	14.4
161.77405	3.1
163.11105	4.6
165.12741	3.4
166.29448	3.0
169.10080	4.7
171.11684	9.0
173.09682	6.4
173.13254	9.3
173.74622	3.8
175.11217	7.3
175.14822	8.7
177.09117	4.2
177.12744	3.1
181.09917	3.0
181.12271	3.2
182.15323	7.3
183.11699	5.2
184.08324	5.0
184.13373	9.9
185.13287	6.5
187.11212	3.8
187.14806	7.4
189.16367	4.0
197.13257	6.5
199.14771	6.7
201.16335	13.1
203.14282	4.5
203.17908	28.4
210.14801	4.7
211.14845	3.2
213.16278	4.3
215.17960	4.6
219.17416	6.3
221.18964	6.2
227.17842	4.7
231.17433	4.2
243.17487	4.2
245.18985	5.8
257.19025	4.5
258.02066	3.5
263.20096	4.2
269.19061	3.6
285.08624	4.0
287.10361	3.7
311.20059	8.8
329.06894	4.3
329.21033	6.6
358.03946	3.5
391.49292	3.5
433.21600	4.9
451.23502	3.4
451.32245	3.9
469.18997	6.6
469.24106	9.6
470.18848	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03953	3.6
55.05498	12.7
57.07069	5.7
63.20263	1.8
67.05494	22.1
69.03426	3.6
69.07065	10.6
71.43220	2.5
79.05478	21.9
81.07054	47.7
83.04956	13.8
83.08614	7.4
85.02905	3.2
91.05464	30.9
93.07041	46.0
95.04950	9.4
95.08596	72.8
97.06503	4.4
97.10233	3.6
103.05495	2.5
105.07022	73.6
107.08589	62.4
109.06504	7.6
109.10145	38.7
111.08074	7.9
117.06992	13.8
119.08570	100.0
121.06493	5.0
121.10140	38.8
123.08102	3.9
123.11718	16.2
125.09681	4.7
129.07030	6.0
130.07835	3.2
131.08556	37.3
131.09464	3.7
133.06541	2.7
133.10115	46.3
135.08029	3.9
135.11662	23.2
137.09595	3.9
139.11252	2.5
142.07784	4.2
143.08531	17.7
145.10117	75.1
147.11676	41.2
149.09616	3.3
149.13254	12.7
151.11127	4.8
153.01790	10.0
154.04997	2.8
155.08519	4.1
156.09358	3.6
157.10121	22.7
158.10905	6.4
159.11676	52.3
161.09634	5.7
161.13263	31.7
163.11211	3.4
163.14784	16.1
165.12750	3.6
169.10115	5.6
170.10916	5.0
171.11674	16.8
172.12415	3.4
173.13235	38.2
174.13622	2.6
175.11212	5.2
175.14809	35.0
177.12677	4.6
177.16365	14.7
179.14293	7.7
182.11011	2.8
183.11626	7.2
184.07355	4.9
185.13234	26.2
187.14784	56.1
189.16333	33.7
191.14279	20.5
191.17976	10.4
193.15874	3.9
197.13303	4.5
199.14804	35.1
201.16364	42.6
203.11143	2.5
203.14296	14.4
203.17987	10.4
205.15858	76.5
206.16144	3.8
211.14761	5.4
213.16306	16.0
215.14236	6.1
215.17908	7.8
217.15871	26.3
219.13841	2.9
219.17400	28.9
221.19089	3.0
223.14883	3.2
227.17984	6.3
229.15910	9.6
229.19499	3.6
231.17371	15.8
233.15300	4.3
233.18991	5.8
239.17770	3.4
241.19533	3.4
245.19006	3.1
247.17050	2.7
251.16405	3.3
253.19788	2.8
259.20734	4.9
267.20996	4.0
277.17789	3.5
279.20905	2.5
283.20618	3.7
387.30591	5.9
393.31497	14.8
395.33151	5.8
405.31454	32.9
407.33374	4.0
423.32581	34.4
424.32593	2.8
433.30783	3.2
439.32016	9.7
451.32187	17.2
469.14673	9.6
469.20590	7.6
469.33081	37.5
470.33017	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	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03934	1.3
55.05505	15.5
57.03429	1.4
57.07065	2.5
59.04990	1.5
65.03931	2.7
67.05502	20.5
69.03439	1.6
69.07060	11.4
69.40308	4.8
77.03909	2.2
79.05484	20.5
81.03404	1.3
81.07050	42.1
83.04971	21.7
83.08614	11.1
85.06557	2.4
85.46334	1.1
91.05466	27.9
93.07034	41.6
95.04969	6.6
95.08596	51.5
97.06532	3.4
97.10132	2.9
99.08076	19.5
103.05455	2.7
105.07021	73.7
107.08582	59.9
109.06496	6.6
109.10143	28.5
110.10468	1.3
111.08057	3.6
115.05444	2.4
116.06190	1.3
117.07005	12.0
119.08567	100.0
121.06503	2.5
121.09258	2.8
121.10131	43.0
122.10471	1.8
123.08066	5.1
123.11694	16.1
125.09628	3.8
128.06203	2.2
129.06981	8.4
130.07785	4.2
131.08553	60.8
132.08905	1.5
133.10115	58.0
135.08031	2.4
135.11684	18.8
137.09627	2.6
141.07004	2.3
141.27023	1.2
142.07733	5.8
143.08556	20.2
144.09312	4.1
145.10104	73.2
146.10526	2.1
147.08057	2.6
147.11673	41.8
149.09601	2.5
149.13264	10.5
151.11188	2.6
153.01854	2.7
153.07004	1.3
154.07771	1.5
155.08559	4.1
156.09326	6.2
157.10109	29.2
158.10890	4.5
159.08086	1.7
159.11679	40.9
161.09627	3.7
161.13239	18.5
163.11176	1.9
163.14795	7.0
169.10104	10.9
170.10919	4.0
171.11661	15.6
172.12517	1.5
173.09645	1.4
173.13237	40.9
175.11200	2.9
175.14810	25.8
177.12834	2.1
177.16351	11.8
179.14296	2.0
181.10123	2.6
182.10977	1.9
183.11659	9.6
184.12506	5.7
185.13225	24.4
187.11227	2.1
187.14799	67.6
188.15169	2.1
189.16368	20.6
191.14290	4.4
191.17857	1.7
193.10101	1.3
193.15866	1.7
195.11691	2.2
196.12445	2.2
197.13226	9.2
198.13911	1.4
199.14781	29.2
201.12711	2.5
201.16359	35.7
203.14301	11.2
203.17952	3.3
205.15865	48.9
206.16133	1.8
209.13266	2.8
211.14728	10.5
213.16356	12.0
215.14287	4.6
215.17940	7.4
217.15887	14.6
217.92998	1.1
219.17433	10.9
225.16391	5.2
227.14449	1.2
227.17958	4.9
229.15894	3.4
231.17455	3.2
237.16386	1.5
239.17970	4.5
241.19522	2.9
243.17395	5.1
251.18016	1.4
253.19397	3.5
255.21136	2.2
257.19000	2.3
259.20520	1.8
265.19516	1.3
267.21082	1.8
269.19046	1.4
283.20532	5.3
291.20905	1.4
293.22482	2.0
323.27509	1.6
333.25595	1.9
335.23672	2.0
351.26971	4.2
365.28641	1.5
387.30487	2.2
393.31348	3.6
395.32947	2.3
405.31448	22.7
406.31720	2.5
407.32864	1.9
411.28818	1.5
423.32556	22.3
433.30667	1.8
439.31808	4.6
451.32178	8.2
469.20319	1.8
469.33151	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	469.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.05505	17.6
55.42860	1.2
57.07069	5.0
65.03939	2.0
67.05495	21.4
67.05821	2.1
69.03422	4.1
69.07061	12.3
70.45876	3.2
71.04977	2.6
76.07013	1.3
77.03913	1.6
79.05484	23.8
81.03419	1.9
81.07046	46.8
83.04973	22.6
83.08603	10.8
85.02886	1.7
85.06537	5.3
91.05469	32.4
93.07031	44.6
95.04956	9.3
95.08597	52.5
97.02900	1.9
97.06516	6.5
97.10172	3.8
99.04468	1.5
99.08074	17.6
103.05465	2.2
105.04519	2.1
105.07018	71.1
106.07311	2.4
107.04926	1.8
107.07344	4.0
107.08578	67.2
108.08882	1.7
109.06506	9.2
109.10137	35.1
111.08053	6.4
115.05479	3.0
117.07039	10.7
119.08566	100.0
120.08868	2.2
121.06499	3.9
121.10126	44.1
122.09653	30.7
122.10480	2.0
123.08051	6.7
123.09972	11.5
123.11681	19.8
125.09633	4.5
127.03922	2.4
128.06226	4.4
129.06953	8.9
129.17766	1.4
130.07779	3.6
131.08554	55.5
133.06511	1.4
133.10114	73.1
135.08038	5.5
135.11674	22.9
137.09602	11.2
137.13243	3.9
141.06931	4.1
142.07788	5.5
143.03403	1.6
143.08537	19.3
144.09290	3.8
145.10106	70.9
147.08011	3.2
147.11662	41.3
148.12091	1.6
149.09615	5.5
149.13216	10.2
150.09129	3.7
151.09959	1.4
151.11142	3.5
152.10687	1.8
153.01802	19.7
153.02925	1.5
154.02196	6.3
155.02242	6.7
155.08569	5.6
156.09328	3.7
157.10098	26.1
158.10915	3.6
159.08043	2.4
159.11679	41.5
161.09627	4.5
161.13248	19.3
163.11179	4.0
163.14787	9.0
168.06491	1.4
169.10112	9.0
170.10869	4.2
171.11679	18.7
172.12411	2.7
173.09610	3.9
173.13237	41.9
175.11169	2.6
175.14801	25.3
176.15134	1.6
177.12723	3.0
177.16391	11.9
179.14355	2.4
181.10043	2.3
183.11658	9.1
184.12431	5.2
185.13242	24.6
185.14749	2.4
186.13962	1.7
187.11174	1.8
187.14793	61.2
188.15224	2.2
189.12769	1.7
189.16364	24.4
191.14299	14.6
191.17929	2.3
195.11690	3.4
195.13803	1.2
197.13196	9.5
199.14787	30.2
200.15277	1.8
201.12877	1.5
201.16353	32.4
202.16745	1.3
203.14285	12.1
203.17917	7.3
204.25215	1.4
205.15858	51.3
207.17435	3.6
209.13249	3.6
211.14777	9.7
213.16362	13.7
215.14334	5.1
215.17924	6.1
217.15871	14.0
219.17430	12.3
222.11292	2.4
223.14833	2.6
225.16400	5.0
227.17880	5.6
229.15877	4.2
229.19595	1.6
231.17453	5.2
233.18938	2.0
237.16400	3.2
239.17950	2.1
241.19501	3.5
243.17397	5.2
245.15450	1.7
245.19095	1.8
251.18022	1.8
253.15668	1.8
253.19652	3.0
255.17282	1.6
255.21097	3.2
259.20676	2.1
265.19611	1.9
267.21045	1.9
269.63278	1.5
283.20511	7.1
297.22098	1.9
299.23520	1.4
321.25845	1.7
333.07816	2.3
333.25867	2.4
351.26959	2.4
375.30420	1.7
377.32086	2.0
387.30219	3.5
393.31375	4.4
395.33273	2.7
405.31503	25.6
406.31552	2.4
421.31201	1.6
423.32571	27.1
424.32916	1.8
439.32040	4.7
441.22073	10.7
451.32059	10.1
469.20059	20.6
469.33102	15.2
470.22632	1.5
470.33655	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	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03938	3.4
53.77293	2.8
55.05509	19.7
57.07067	4.7
65.03941	3.5
67.05499	25.5
69.03419	26.7
69.07069	21.5
70.42908	2.8
71.04984	5.7
71.08628	4.3
79.01811	3.2
79.05475	26.7
81.03416	6.7
81.06574	3.6
81.07048	58.7
83.04959	8.0
83.08607	10.6
85.02882	6.3
91.05480	33.0
93.07033	52.2
95.04967	24.2
95.08599	75.8
96.08910	4.8
97.02856	5.1
97.06483	7.0
97.10148	3.2
98.23490	7.2
99.04445	7.8
105.07021	76.5
106.07317	4.3
107.04935	4.9
107.07925	5.3
107.08587	62.4
109.06492	9.1
109.10159	42.1
111.08078	4.9
113.15594	4.0
117.07013	17.9
119.08570	100.0
120.08941	3.7
121.06490	6.0
121.10150	46.1
123.08054	8.2
123.11707	10.0
125.05992	3.7
125.09645	5.5
127.03911	5.4
128.06168	6.6
129.06999	8.5
131.08554	43.2
133.06462	5.5
133.09166	5.6
133.10127	63.3
135.08076	7.9
135.11646	21.8
137.09642	7.3
141.06989	3.6
142.07713	7.0
143.03448	4.2
143.08574	28.6
144.53752	2.9
145.10112	59.6
147.08022	9.8
147.11670	40.0
149.02385	3.0
149.09578	9.4
149.13232	21.7
151.11177	4.9
153.01836	30.9
153.02937	5.3
154.02155	12.4
155.02267	15.8
155.08537	7.3
156.09294	5.0
157.10146	26.8
159.11696	41.7
161.09612	11.5
161.13216	37.0
163.14804	17.5
164.07138	3.6
165.12634	3.1
170.10811	5.0
171.11682	18.4
172.12425	3.1
173.13239	32.6
175.11116	4.7
175.14818	35.0
177.12682	4.9
177.16354	12.9
179.10692	3.4
183.11708	7.3
185.13205	14.7
187.14822	48.7
189.12721	13.4
189.16364	67.3
191.14310	6.6
197.13240	5.4
199.14790	25.8
201.12704	4.5
201.16367	40.8
203.14252	24.3
203.17932	47.8
205.15846	4.5
207.13846	5.5
211.14796	8.6
213.16368	13.8
215.14311	6.9
215.17886	23.2
217.15865	29.6
217.19528	7.8
219.13896	4.2
221.15370	11.1
225.16382	4.1
227.17879	4.1
229.15839	7.9
229.19519	9.0
231.17578	4.8
233.15411	6.7
235.16893	16.4
241.19519	4.5
243.20982	4.7
247.16917	10.1
249.18448	5.5
258.09344	4.4
259.16956	3.6
261.18527	8.0
267.21063	6.4
314.08670	3.6
349.28610	4.1
387.30276	3.4
393.31421	5.9
405.31500	18.8
423.32675	30.3
433.30692	6.9
451.32007	20.7
469.19730	19.6
469.33249	68.3
470.33557	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03939	5.3
55.05510	13.0
57.07077	3.2
65.03925	2.2
67.05503	27.5
69.03428	33.6
69.07062	17.5
71.04987	2.7
73.81947	2.0
79.05486	28.0
81.03434	6.7
81.07050	53.0
81.07501	3.8
83.04978	6.0
83.08627	9.6
85.02892	4.1
87.00888	1.8
88.71961	1.9
91.05474	36.1
93.07041	60.2
94.07397	3.0
95.04967	28.8
95.08606	60.1
97.02893	4.0
97.06539	10.4
97.10160	2.8
99.04465	15.6
105.04537	2.3
105.07022	80.6
107.04951	2.8
107.08593	61.2
109.06536	10.7
109.10149	35.0
111.08081	4.1
115.05471	3.9
116.98051	2.2
117.07006	15.1
119.08575	100.0
120.08937	2.8
121.06501	3.8
121.10143	46.9
122.10487	4.2
123.04422	2.5
123.08056	9.0
123.11707	11.3
125.05989	2.4
125.09643	4.8
127.03996	2.2
127.26472	2.0
128.06256	5.8
129.07011	12.5
130.07764	3.2
131.08559	39.6
133.06566	3.1
133.10123	56.2
133.11147	2.8
135.08078	3.2
135.11690	15.5
137.09639	5.5
142.07799	9.7
143.08557	32.3
143.09605	2.3
144.09331	3.6
145.08971	3.8
145.10115	56.1
145.11217	3.6
146.10625	2.0
147.08052	4.4
147.11697	32.3
149.09656	7.5
149.13243	14.8
151.11203	2.8
153.01840	4.5
155.02170	3.0
155.08597	3.4
156.09393	4.6
157.10107	30.5
158.10818	2.8
159.11685	40.4
161.09630	4.6
161.13242	41.0
161.14529	3.6
163.11108	4.0
163.14845	16.3
167.10693	3.3
169.10178	6.6
170.10956	3.3
171.11656	21.8
173.13243	29.2
175.11305	3.8
175.14804	24.1
177.12781	3.1
177.16380	11.2
179.10773	2.9
183.11699	5.3
185.13266	8.3
187.14806	39.0
188.15273	2.6
189.12796	4.7
189.16368	59.0
189.17958	3.9
191.10649	2.3
191.14351	5.3
191.17981	3.0
195.46616	2.1
197.13293	5.1
199.14795	31.4
201.16365	50.6
203.14357	8.6
203.17957	20.3
205.15981	6.0
207.13895	6.0
207.17413	3.0
211.14914	3.8
213.16371	20.2
215.14359	7.4
215.17918	30.2
217.15891	39.5
217.19563	7.2
219.17389	2.5
221.15396	4.6
225.16454	5.1
227.17976	5.0
229.15950	4.7
229.19572	4.7
231.17404	4.4
233.15388	6.6
235.16904	16.9
239.17902	2.6
241.19547	6.7
243.21167	6.9
247.16936	10.4
249.18575	3.5
255.21117	5.5
261.18457	11.4
267.21185	2.4
387.30554	3.6
395.29803	5.5
405.31482	14.1
421.31131	2.7
423.32736	16.3
433.31253	4.3
451.32205	18.1
469.20340	35.5
469.33191	88.3
470.33533	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	470.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31878	1.1
69.03422	3.1
69.80694	2.7
69.81057	2.6
79.01856	3.3
81.03405	8.5
82.32152	1.2
85.02910	3.3
97.02880	9.6
107.01259	1.6
109.02869	4.2
125.02334	3.8
127.03909	7.2
137.05956	2.1
143.03410	4.8
145.04988	1.6
145.66425	1.3
153.01808	100.0
154.02182	2.2
156.10225	2.1
171.02870	12.8
171.04201	1.8
210.14682	1.3
271.39868	1.6
297.06012	13.9
315.07135	9.0
343.70959	1.5
470.13013	7.4
471.18182	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	470.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03936	1.0
55.48591	0.6
57.45801	0.6
57.72825	0.5
69.03420	4.4
70.77420	1.1
79.01844	2.5
80.04996	0.9
81.03406	6.0
85.02907	4.7
85.06533	1.8
95.04984	0.8
97.02888	4.9
99.04453	1.1
100.11219	0.7
103.42252	0.6
105.04462	0.6
106.49203	0.7
107.01292	1.7
109.02879	5.3
121.06498	1.5
125.02357	2.9
127.03915	7.4
138.09077	0.8
141.09186	0.7
143.03384	4.3
145.04985	0.9
146.06000	2.2
153.01814	100.0
153.02849	4.0
154.02127	3.1
156.10184	3.7
159.10173	1.5
171.02878	12.1
174.05511	1.7
184.09731	0.9
187.21634	0.6
277.49121	0.6
279.04752	0.7
297.06046	8.0
300.08749	0.6
315.07043	16.5
316.07532	1.0
350.41388	0.6
433.09720	0.6
470.13312	1.6
470.24384	1.1
471.21698	4.3
471.35806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01860	1.3
57.03418	1.0
69.03423	2.8
69.28407	1.4
69.28815	2.1
70.06583	1.0
71.04990	1.0
79.01845	1.9
81.03410	6.4
83.01346	1.2
85.02889	3.3
94.47292	0.5
96.04488	0.6
96.35436	0.5
97.02900	6.5
99.04417	0.8
107.01305	1.4
108.29494	0.6
109.02876	5.4
121.06497	0.6
125.02341	2.5
127.03899	7.8
139.00224	1.0
143.03397	4.2
145.04994	1.8
148.61372	0.6
153.01816	100.0
154.02159	2.9
156.06554	0.9
171.02864	14.2
200.07333	0.6
287.01807	1.3
297.06006	11.8
300.99457	0.6
315.07062	12.7
316.07675	1.0
318.11755	0.9
323.01746	0.7
407.00455	1.5
453.00790	2.5
463.93344	0.6
470.13361	2.1
470.19827	4.9
471.01999	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	470.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
54.33600	0.9
55.01862	1.5
55.05508	10.3
57.03434	6.0
60.42280	0.9
61.02911	7.4
67.05511	1.1
69.03427	14.9
69.07060	66.0
71.01838	0.9
71.04984	3.0
72.76973	1.0
73.02906	3.2
79.05504	1.2
81.03414	6.9
81.07060	2.5
85.02895	100.0
86.03257	1.2
87.04462	1.3
91.03946	4.2
93.07066	1.8
95.04947	1.0
95.08607	1.9
97.02885	21.3
99.04428	2.9
103.03926	1.0
105.07018	1.7
106.07553	1.2
109.02868	7.8
109.10157	1.5
111.11707	32.7
117.06983	1.0
119.08580	2.5
121.10139	1.0
122.05996	1.9
123.11688	1.1
127.03894	21.3
127.04747	1.9
131.08626	2.0
131.58875	0.9
145.03824	2.2
145.04947	39.5
147.11546	1.0
149.09636	1.3
159.08070	1.1
163.06000	16.8
164.07027	1.3
187.07506	1.7
308.18579	1.3
470.19272	4.4
471.21866	1.5
471.33649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
54.33600	0.9
55.01862	1.5
55.05508	10.3
57.03434	6.0
60.42280	0.9
61.02911	7.4
67.05511	1.1
69.03427	14.9
69.07060	66.0
71.01838	0.9
71.04984	3.0
72.76973	1.0
73.02906	3.2
79.05504	1.2
81.03414	6.9
81.07060	2.5
85.02895	100.0
86.03257	1.2
87.04462	1.3
91.03946	4.2
93.07066	1.8
95.04947	1.0
95.08607	1.9
97.02885	21.3
99.04428	2.9
103.03926	1.0
105.07018	1.7
106.07553	1.2
109.02868	7.8
109.10157	1.5
111.11707	32.7
117.06983	1.0
119.08580	2.5
121.10139	1.0
122.05996	1.9
123.11688	1.1
127.03894	21.3
127.04747	1.9
131.08626	2.0
131.58875	0.9
145.03824	2.2
145.04947	39.5
147.11546	1.0
149.09636	1.3
159.08070	1.1
163.06000	16.8
164.07027	1.3
187.07506	1.7
308.18579	1.3
470.19272	4.4
471.21866	1.5
471.33649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96898	2.7
55.01851	2.7
55.05515	17.2
57.03434	19.1
67.05500	52.6
69.03450	2.4
69.07073	17.9
70.54063	6.1
71.01351	7.4
71.04977	5.0
73.31498	2.4
73.38931	2.3
79.05489	46.0
81.03422	9.2
81.07047	23.2
82.54512	2.3
82.81087	2.3
83.04964	10.9
83.08639	3.4
85.06569	4.8
91.05480	21.9
93.07040	55.4
95.04984	8.0
95.08619	7.1
97.06502	18.8
97.10152	13.2
99.08084	3.0
104.58771	2.5
105.07021	4.9
107.08583	34.1
109.10134	6.4
117.07005	4.9
119.08567	11.2
121.10146	5.5
121.71377	2.4
133.10156	6.4
135.11679	62.5
139.38298	3.3
145.10115	10.8
163.11185	8.6
181.12210	19.1
199.13327	4.9
255.15884	100.0
256.16116	3.2
330.64105	2.7
435.27390	91.6
436.27652	6.7
470.34003	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	471.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07015	1.3
54.30655	1.4
71.00588	1.8
83.15346	1.3
98.23157	2.4
124.02571	1.2
132.30164	1.2
134.47237	1.4
142.67989	1.3
153.01787	1.9
167.04915	3.2
195.04448	5.7
223.03969	8.5
223.22336	1.4
239.03421	4.1
251.03412	11.0
253.05009	1.9
267.02847	7.2
269.04437	1.4
279.02811	9.5
289.01312	1.6
295.02328	8.1
297.03842	2.2
307.02322	14.5
313.03348	1.9
323.01822	35.2
324.02383	1.8
325.03381	5.5
335.01749	6.6
341.02899	4.6
351.01294	24.4
353.03000	3.8
362.97073	0.9
363.01291	28.4
364.01614	2.5
369.02280	2.4
379.00800	52.5
381.02429	4.8
391.00748	17.8
397.01859	2.2
407.00290	72.2
408.00662	4.1
408.68552	1.4
409.01761	2.9
425.01306	5.0
427.02512	1.7
434.99829	5.1
453.00851	100.0
454.01013	7.2
471.01917	83.1
471.35129	1.6
472.02371	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	471.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	23.4
64.16191	0.6
68.99797	2.4
70.06583	2.7
71.41992	0.7
83.01332	23.1
84.08170	0.8
86.09711	1.5
95.01296	1.1
97.02885	1.4
100.11263	1.5
111.00778	6.0
112.07612	0.8
123.00797	1.8
138.99165	1.1
139.00246	21.8
141.01831	0.8
147.45490	0.7
153.01814	9.8
154.02162	1.0
157.01323	7.3
162.03111	1.0
166.72661	0.8
166.99800	1.2
168.69487	0.7
168.96420	0.8
171.24832	0.7
173.09421	0.7
174.03107	1.0
185.00790	18.6
185.02094	0.9
186.01523	2.2
187.03902	0.9
189.01839	1.9
190.02655	2.0
217.01337	1.7
218.02100	1.0
223.03894	1.6
229.01360	1.1
230.02081	2.3
231.02899	1.0
239.03221	1.5
241.01288	3.0
243.02979	1.3
245.00647	1.0
246.01598	4.1
251.03320	1.7
255.02957	0.7
257.00806	4.5
257.04614	0.7
259.02417	2.0
267.02927	5.1
268.02994	0.7
269.00833	1.7
269.04025	0.8
273.00266	4.3
279.02856	0.9
281.00751	0.8
285.00275	1.7
285.03903	0.9
286.01074	6.2
287.01819	21.8
287.04919	1.5
288.02112	1.5
295.02420	3.9
300.99722	5.8
302.00525	17.2
303.01315	3.4
305.00757	10.8
307.02380	3.1
312.99789	6.6
313.03400	2.0
323.01788	11.0
324.01999	1.3
328.99255	2.8
331.00955	1.3
333.00378	2.0
339.01443	1.1
341.03015	1.6
351.01224	3.9
353.02585	0.9
355.57733	0.7
360.99841	1.4
363.01099	3.6
369.02478	2.1
379.00809	15.3
391.00647	1.4
397.01822	4.1
407.00299	27.2
408.00714	1.8
409.01807	1.1
425.01273	0.9
427.02692	0.9
434.99777	15.3
436.00150	1.4
453.00827	80.1
454.01068	6.0
470.18610	0.9
470.36884	1.0
471.01904	100.0
471.17606	3.8
472.02219	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	471.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08961	2.8
57.97874	2.6
58.22845	2.8
65.85012	2.4
69.03442	3.1
81.03411	5.2
83.04974	6.0
85.02891	3.2
86.06892	2.8
90.05547	5.4
95.08632	3.9
98.97587	7.5
102.69656	3.0
127.03937	2.8
136.23566	3.1
138.05441	6.4
139.05823	3.1
143.03328	2.9
153.01822	29.9
153.02948	4.1
195.04521	4.4
202.10637	3.6
219.01787	3.4
237.02747	3.7
272.46658	2.8
291.13565	3.4
301.09061	4.3
323.01709	6.4
351.01459	5.2
363.01187	7.8
367.06918	5.9
379.00848	16.0
391.00708	4.8
407.00278	14.0
410.94049	3.3
427.03030	4.0
427.09885	12.8
438.05347	3.2
453.00839	35.6
454.01120	2.9
467.18137	3.0
471.01883	29.4
471.08987	100.0
471.15198	7.7
471.22473	4.7
472.02518	4.0
472.08948	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	0.4
71.02402	0.4
82.03970	0.3
83.01108	0.8
84.01862	0.5
85.02927	0.4
92.08628	0.4
95.01079	1.7
96.01866	1.1
97.02806	0.4
102.19566	0.3
112.01337	1.3
113.02122	2.6
119.03046	0.3
153.01813	1.2
154.65251	0.3
154.82379	0.3
157.04868	1.5
185.04201	4.3
189.05225	2.0
200.48079	0.4
201.03697	1.2
203.05247	1.2
219.06357	2.4
224.50328	0.4
234.08615	15.6
235.09360	1.0
259.07767	2.5
277.10327	1.9
279.11868	0.4
309.13095	0.8
326.45758	0.4
352.76669	0.4
367.13892	0.7
381.11465	1.2
389.03238	0.5
395.12741	0.9
396.13757	2.9
440.16412	0.7
441.17102	1.8
471.18292	100.0
472.18738	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	471.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.1
59.04976	0.5
59.72032	0.4
65.29634	0.5
67.05473	1.1
69.07038	1.2
79.05450	0.8
81.03363	0.4
81.07004	1.7
83.08584	0.7
89.76232	0.4
91.05434	0.5
93.06964	0.6
95.08562	1.3
97.06482	0.8
98.22945	0.4
99.08058	1.1
100.11223	0.8
105.06963	1.6
107.08534	1.4
109.06488	0.5
109.10078	1.8
111.07938	0.5
119.08518	0.7
121.10146	0.5
123.07993	0.4
123.79935	0.4
131.08505	0.4
131.30324	0.5
133.10060	1.0
135.04196	0.4
137.05890	0.8
139.95584	0.4
145.10023	0.7
149.09366	0.9
161.09570	0.5
161.13144	0.8
169.09987	0.5
169.16475	0.4
171.07970	0.5
173.09497	0.6
173.13205	0.5
182.15436	0.4
183.13654	0.5
185.04088	0.9
189.09052	0.6
203.05161	1.5
203.14230	0.6
205.11987	5.5
210.14819	0.6
213.12701	0.5
221.15263	0.7
223.13020	11.2
225.12511	0.6
227.05116	0.6
245.06361	2.7
251.12531	2.5
259.79245	0.4
265.13800	1.0
283.54318	0.5
289.05026	1.7
291.15491	1.5
301.17709	0.6
309.16666	0.9
353.20462	0.5
367.16965	1.4
385.18283	22.4
386.18518	0.8
409.26639	0.8
413.17569	0.5
417.26770	0.5
427.19376	46.2
427.28278	1.8
428.19534	2.9
453.29510	1.1
454.32095	0.8
471.17880	100.0
472.18286	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	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
54.28186	0.2
69.36333	0.3
69.36731	0.6
71.04975	0.2
79.05511	0.2
81.03391	0.2
81.07053	0.5
91.05453	0.3
93.07057	0.2
95.08613	0.3
105.07005	0.3
107.08608	0.2
109.10130	0.2
113.09621	0.3
114.14593	0.2
119.08563	0.2
124.70806	0.2
133.10052	0.2
145.10141	0.2
153.12764	0.2
159.11671	0.2
171.11572	0.2
181.10133	0.2
183.11700	0.3
283.16913	0.2
301.17889	1.0
309.16898	0.5
355.22748	0.6
411.29468	0.3
413.26999	0.3
427.41934	0.2
430.60065	0.2
453.30045	0.7
471.22000	100.0
472.22330	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	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
59.94492	0.3
69.07060	1.3
69.77460	0.7
69.77809	0.5
81.07054	1.2
95.08617	0.6
98.23003	0.9
119.08578	0.3
165.09120	0.4
178.66699	0.3
193.16866	0.3
238.32120	0.3
275.07352	0.4
299.07315	0.3
317.08429	0.5
333.07813	2.9
335.09433	8.6
335.13266	0.5
404.14725	0.3
419.51022	0.3
471.21988	100.0
472.16513	0.4
472.22366	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	471.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93112	0.5
69.10515	3.1
69.21088	0.5
74.64223	0.5
79.42289	0.5
81.07047	0.8
83.94225	0.4
95.08606	0.6
317.91382	0.5
333.07898	57.0
334.08289	1.5
335.09451	32.3
336.09744	1.5
471.21994	100.0
472.22330	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	471.2202
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05503	0.4
67.05489	0.3
69.07082	0.2
79.02165	0.2
79.05509	0.4
81.07049	0.5
83.08588	0.4
85.02879	0.2
85.87103	0.2
89.90444	0.2
91.05468	0.3
93.07047	0.5
95.04897	0.3
95.08582	0.4
96.40540	0.2
97.06558	0.4
99.08091	0.2
105.07031	0.5
107.08602	0.7
109.06504	0.2
109.10159	0.5
119.08559	0.5
120.10517	0.2
121.10140	0.5
127.03944	0.2
131.08553	0.2
133.10049	0.3
145.04956	0.2
145.10143	0.3
161.09674	0.3
165.09041	0.5
184.93796	0.2
185.04227	0.5
193.10165	0.2
223.16908	0.5
296.16629	0.2
309.16733	2.1
353.21021	0.3
373.33176	0.2
400.12543	0.2
451.69931	0.2
471.21976	100.0
472.22253	6.1
472.28616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05503	4.9
57.03426	1.2
59.04993	3.6
59.92165	1.0
61.02915	1.3
65.03924	1.5
67.05493	3.1
69.03423	10.6
69.07056	2.5
69.26379	2.0
69.26763	3.7
71.04967	2.6
77.61444	1.0
79.05482	7.3
81.03416	3.9
81.07060	10.2
83.04971	15.0
83.08614	1.8
85.02899	31.3
85.06508	1.5
91.03905	1.4
91.05466	6.5
93.07040	7.4
95.04958	2.2
95.08617	5.4
95.76779	0.9
97.02882	10.4
99.04464	2.7
101.06012	4.5
105.03374	1.5
105.07021	9.3
107.04944	4.3
107.08585	18.6
109.02878	4.3
109.06512	5.1
109.10166	7.7
111.08056	1.2
115.05481	1.7
117.06980	2.1
119.07034	1.1
119.08603	6.5
121.06522	2.2
121.10135	13.3
122.07271	5.3
122.09662	5.2
123.08031	1.7
127.03914	13.9
131.08546	3.9
133.10117	100.0
134.10455	1.8
135.08063	7.9
137.09604	48.1
143.08533	1.2
145.04945	14.7
145.10100	2.4
147.11650	3.5
149.09593	1.8
149.13248	8.1
151.11125	1.8
153.36897	1.0
158.10838	1.8
159.11665	2.0
163.06027	4.5
163.14835	2.7
165.09180	1.2
173.13216	5.5
187.05882	1.2
191.14296	49.4
192.14642	1.7
205.15814	1.1
206.11060	1.2
209.15303	8.5
242.14442	1.2
245.10155	4.3
385.03775	1.0
407.00507	1.2
434.70483	1.1
471.21640	14.2
471.31293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3107
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
52.52819	2.1
55.01876	6.7
55.05510	20.3
59.05000	9.3
63.66356	2.1
65.03941	2.4
67.05504	34.4
69.03444	3.0
69.07066	26.2
70.72874	1.8
71.04999	3.7
71.42326	2.4
79.05499	9.4
81.03403	2.5
81.07042	23.4
83.04994	2.7
83.08617	25.7
85.02863	2.5
85.68879	2.1
91.05480	13.2
93.07043	24.6
95.04934	5.1
95.08007	4.6
95.08601	43.8
97.06549	5.7
99.04462	4.6
105.07021	18.6
107.04927	2.3
107.08607	15.0
109.06522	12.3
109.10159	46.2
110.34863	2.2
110.72398	2.1
111.08080	19.1
113.09686	2.5
114.07176	1.9
117.07040	6.0
117.63660	1.9
119.08550	15.8
121.06513	9.0
121.10151	11.0
123.04428	2.3
123.08105	3.7
123.11693	6.2
127.11213	3.4
128.06300	2.3
129.07047	5.6
131.08554	12.4
133.06487	3.1
133.10135	9.2
135.08072	8.4
135.11717	10.8
137.05919	9.9
137.09628	15.3
141.06970	2.4
143.08562	11.2
145.06512	5.0
145.10104	17.6
147.08058	8.0
147.11711	8.4
149.09618	2.4
151.11214	4.4
153.12750	3.3
155.08565	4.8
155.10666	4.4
156.09290	2.5
157.10120	13.0
159.08072	7.9
159.11691	13.1
161.09627	7.0
161.13223	4.3
163.07446	3.5
163.11134	2.3
167.08597	2.6
169.10129	6.4
171.08086	7.6
171.11691	7.2
173.09621	16.5
173.13260	4.0
175.14868	3.3
179.06934	2.5
180.75511	2.1
181.10152	5.2
182.10880	3.5
183.11714	4.7
185.09628	5.0
185.13263	3.9
186.10202	2.3
187.11185	5.8
187.14807	4.6
189.09044	9.8
191.10677	13.3
195.11716	7.9
197.09608	3.8
197.13272	8.1
199.11275	5.1
199.14781	4.1
207.11810	3.2
209.11613	2.8
209.13329	6.0
210.10338	2.5
211.11261	4.6
213.12718	6.0
221.13185	4.6
223.11258	2.8
223.14842	3.4
225.12775	7.5
227.14299	3.1
231.13847	3.0
237.12767	5.8
237.16376	3.5
239.14417	5.6
241.15913	6.5
251.14259	3.6
253.19489	3.2
255.13734	3.4
257.15292	2.6
265.15887	3.7
269.15283	3.3
279.17340	2.2
281.15396	3.1
281.18939	6.6
283.17029	5.8
284.17789	3.3
287.16583	4.9
297.18533	8.1
299.16794	2.7
299.19925	11.6
301.17850	12.8
302.18604	9.9
307.17114	2.6
313.18149	3.5
315.19485	18.6
317.21042	32.6
318.21170	2.4
341.21033	3.9
343.18918	3.1
344.19870	4.2
353.21161	8.3
371.22415	5.8
393.27643	3.1
395.25815	3.3
409.27365	13.1
411.28891	7.3
413.27057	4.6
417.28012	3.4
427.28391	64.7
428.28735	5.0
435.28790	11.9
439.00974	2.9
453.29971	53.5
454.30560	6.4
471.21655	31.0
471.30972	100.0
472.31277	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	471.3103
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
50.51854	2.5
53.03946	3.7
55.01865	7.2
55.05505	17.9
57.03448	2.5
57.07087	2.4
59.04993	11.0
67.05495	37.8
67.05828	4.1
67.20819	2.6
69.03427	6.6
69.07066	26.6
69.54681	2.1
71.04989	5.7
71.43114	2.8
72.25000	2.4
79.05477	11.2
81.03452	3.0
81.07046	27.4
83.04978	7.8
83.08620	23.2
83.96642	2.4
85.02902	3.7
91.05485	16.4
93.07037	31.2
95.04971	7.4
95.08595	55.8
97.02878	3.2
97.06534	6.9
105.07011	20.2
107.04957	3.2
107.08595	23.4
109.06521	7.3
109.10138	59.8
111.08044	15.2
114.51888	2.7
117.07053	5.2
119.08579	19.6
121.06485	9.4
121.10150	12.6
123.04453	3.2
123.08048	5.8
123.11703	8.7
127.11091	3.5
128.06178	4.9
129.07004	5.3
131.08545	19.5
133.10153	12.3
135.08026	5.5
135.11685	8.6
135.51947	2.6
137.06006	4.6
137.09584	12.1
137.13158	3.6
141.06952	3.5
143.08566	11.8
144.09279	3.2
145.06462	3.3
145.10095	19.5
147.08008	8.5
147.11687	4.9
149.09607	7.0
151.11143	3.4
152.58144	2.6
153.12743	6.2
155.08574	8.7
155.10645	5.9
156.09299	9.1
157.10144	10.5
159.08005	7.5
159.11665	25.5
161.09605	6.2
161.13216	6.4
169.10115	7.6
171.08006	4.2
171.11658	21.4
173.09575	19.0
173.13252	6.9
181.10034	4.4
183.11713	6.6
185.09612	3.0
185.13268	7.0
187.11150	6.5
189.09096	8.3
189.12688	5.9
191.10686	9.1
193.10143	2.9
195.11626	6.4
197.09592	3.4
197.13242	7.9
199.11206	6.9
201.12720	5.6
203.14343	3.7
207.11650	4.6
209.11584	4.8
209.13350	4.2
211.11160	8.0
213.12791	4.5
221.13316	3.3
223.11200	4.3
223.14883	5.3
225.12837	5.6
227.14317	4.4
235.14772	3.7
237.12608	4.0
237.16412	3.4
239.14307	7.3
241.15866	7.8
243.13594	3.0
255.13809	4.1
257.15326	5.0
265.15891	5.9
281.18909	3.9
283.16940	5.4
284.17737	4.2
287.16364	3.3
295.16989	3.3
297.18546	8.3
299.16708	3.1
299.20093	12.2
300.17047	3.3
301.18045	14.8
302.18701	7.3
305.18973	2.8
313.17819	3.1
315.19513	21.6
317.21021	27.1
325.17755	3.2
327.19601	3.8
329.21121	3.5
335.19968	3.1
343.18912	3.2
344.19775	5.3
353.21265	9.3
371.21942	6.2
391.26056	3.9
409.27277	16.6
411.28836	6.2
413.26553	4.4
427.28345	57.9
428.29123	2.9
435.28833	7.8
453.29990	61.5
454.30072	4.3
455.56097	3.1
471.20679	59.4
471.30978	100.0
472.21313	5.0
472.31393	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	471.3467
Annotation	Melianone
Peak:m/z	Relative Intensity
51.58999	13.1
54.18508	12.3
59.17724	14.1
67.05494	30.3
69.07059	38.5
69.72514	44.1
77.85361	13.1
79.05499	29.6
81.07047	59.4
83.08600	22.9
91.05492	56.5
93.07039	73.3
95.08577	87.4
98.22704	15.7
105.06991	84.5
107.08594	100.0
109.10149	59.7
117.06988	23.0
119.08556	96.3
121.10109	83.3
123.08051	18.2
123.11703	19.6
129.07066	16.7
131.08585	27.6
133.10092	81.5
135.11673	49.0
143.08549	21.1
145.10088	98.0
147.11699	41.4
149.09741	18.6
149.13257	22.2
153.09094	15.7
157.10196	31.6
159.11687	67.5
161.13239	32.4
163.07584	18.6
163.14790	20.0
173.13261	50.6
175.14899	30.0
177.09061	21.6
177.16467	16.8
185.55151	14.0
187.14818	53.3
189.16408	40.0
191.17961	28.5
191.27055	14.0
201.16318	90.0
203.18022	40.5
205.15820	32.5
219.17418	24.7
229.19606	18.5
235.17030	20.8
247.16948	56.1
282.52164	14.6
394.73788	15.1
407.33322	24.4
425.34052	45.2
435.32928	17.7
468.68259	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	472.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
56.74170	0.8
63.98095	0.9
65.35293	0.8
69.03423	3.7
70.06583	2.1
70.57452	1.9
79.01848	3.0
81.03412	8.8
85.02898	3.0
97.02888	7.0
98.23125	1.8
99.04446	0.8
100.69191	0.8
107.01310	1.7
109.02875	6.5
125.02356	3.7
127.03918	6.4
138.15739	0.7
140.55225	0.8
143.03387	5.8
145.04964	1.4
152.09811	1.0
153.01813	100.0
154.02174	3.2
171.02878	10.3
231.06396	1.5
297.06046	8.5
315.07068	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	472.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.6
55.01870	11.3
57.03434	8.5
59.01866	1.8
61.02914	10.8
64.86150	1.7
67.05492	3.5
68.99776	2.1
69.03416	32.1
71.04977	8.1
73.02917	12.9
78.92564	1.8
79.05477	2.8
81.03412	34.2
81.07056	3.0
85.02895	100.0
85.06552	3.4
87.00822	36.7
87.01315	2.6
87.04443	2.3
91.03961	3.9
91.05463	1.9
95.04948	4.8
95.08620	1.8
97.02885	58.7
99.04446	22.0
105.01855	60.3
105.03373	22.3
105.69009	1.5
109.02865	37.1
109.06542	2.0
109.10146	1.9
114.53520	1.7
117.01871	4.7
122.09660	12.5
123.04414	7.1
127.03906	93.7
129.01836	4.8
145.04942	54.0
147.02902	4.8
159.02875	27.5
159.16519	1.9
165.09067	2.1
189.03888	2.8
189.09116	4.0
193.08537	2.0
210.35664	1.7
213.03963	4.4
231.04984	25.8
249.06042	4.5
363.35815	1.7
444.20984	1.8
471.21906	3.8
472.22336	73.6
473.22531	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	472.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01860	5.2
55.05506	21.9
57.03434	17.4
57.07066	2.2
59.04992	7.9
67.05498	93.3
67.42094	2.0
69.07076	4.8
71.04976	5.9
71.48674	1.9
79.05485	20.2
81.03402	9.6
81.07050	27.0
83.01335	7.7
83.04961	6.8
83.08620	14.7
84.98243	1.7
85.06554	3.2
87.04471	2.4
91.05476	18.1
93.07034	21.6
95.04945	8.7
95.08596	12.0
96.50245	1.8
97.06519	3.0
99.04459	2.8
105.07013	5.5
107.04946	5.7
107.08586	12.3
109.06512	6.1
109.10143	84.0
111.04447	2.0
111.08059	4.7
113.05967	1.7
117.06982	6.9
119.08586	17.4
121.06489	2.5
121.10120	7.0
123.08009	4.6
129.06963	2.3
131.08557	3.2
135.08005	2.4
135.11658	9.4
137.09579	4.1
145.10104	13.4
147.08084	2.8
147.62798	2.2
148.99643	1.7
149.02335	6.1
153.12730	2.5
163.11148	17.1
173.09541	4.0
173.10187	2.3
173.11722	28.0
181.12236	3.5
193.04834	3.4
209.11734	6.9
227.12712	3.7
229.14326	99.2
230.14626	2.5
283.15375	100.0
286.09396	1.9
350.57532	2.3
385.09146	3.4
437.25296	66.2
437.31339	3.4
438.25732	4.2
473.14514	2.0
494.09668	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97837	2.7
56.96545	3.3
60.54683	2.8
71.43589	3.4
98.97519	8.3
110.97521	4.0
161.07626	3.6
180.13914	2.6
187.05595	4.6
189.00574	3.3
205.06575	3.3
220.06470	3.3
251.03839	3.0
293.05219	6.9
360.09363	3.3
473.09915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1055
Annotation	Tetracenomycin C
Peak:m/z	Relative Intensity
69.92978	6.5
69.93314	4.1
88.55300	2.6
97.58940	2.2
98.97585	6.1
129.02237	7.0
138.29782	2.2
147.03242	4.4
177.04381	6.6
206.96136	2.3
219.01730	3.8
237.02867	4.8
321.08469	11.5
339.09335	4.3
339.66431	2.7
358.37137	2.9
391.17017	2.6
455.01505	2.7
473.10312	100.0
473.16406	22.9
474.10486	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73783	1.0
67.05495	1.2
69.90794	2.9
111.08057	1.1
123.08002	1.1
137.05962	1.2
203.05243	4.2
249.14618	4.0
293.13785	1.6
303.42883	1.1
311.11014	1.0
311.14590	20.6
311.18060	2.0
473.19730	100.0
474.19989	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1992
Annotation	Met Trp His
Peak:m/z	Relative Intensity
52.73783	1.0
67.05495	1.2
69.90794	2.9
111.08057	1.1
123.08002	1.1
137.05962	1.2
203.05243	4.2
249.14618	4.0
293.13785	1.6
303.42883	1.1
311.11014	1.0
311.14590	20.6
311.18060	2.0
473.19730	100.0
474.19989	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85227	0.7
69.42190	3.6
71.60201	0.9
77.99374	0.9
78.30894	0.8
79.05492	0.9
93.07034	1.8
95.08600	0.7
97.02850	0.9
116.13517	0.9
121.10178	1.3
137.05946	0.8
153.01831	1.2
252.86298	1.4
289.08893	6.0
293.17212	3.4
311.18262	3.1
455.22278	1.5
473.19388	88.3
473.23694	100.0
474.19754	5.2
474.24158	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	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82317	0.8
67.05509	2.2
69.03421	2.1
69.96478	1.5
69.96806	1.2
79.05484	1.6
81.03408	2.1
81.07081	1.0
84.04498	1.1
85.02887	3.2
85.06544	1.2
87.00871	1.1
91.05477	3.2
93.07055	4.5
95.04959	2.5
95.08593	11.0
97.02884	3.4
98.22826	1.3
100.11307	1.0
105.01865	1.1
105.07024	1.5
107.08575	2.0
109.02939	1.0
113.06046	1.2
113.07104	0.9
114.36569	0.9
119.08582	3.0
121.10159	6.0
123.08083	3.5
127.03878	1.9
130.04964	1.4
131.08560	1.6
135.11682	1.3
137.05963	1.9
141.05202	1.5
145.04948	1.1
147.07727	1.2
147.11737	1.1
149.09650	6.0
149.77193	0.9
153.01859	3.0
161.13284	1.4
189.12747	3.0
203.05249	6.7
207.13800	4.7
213.51425	1.0
293.17102	4.9
311.14789	3.2
311.18198	2.5
348.58643	0.9
361.31122	1.0
369.18933	1.1
415.19135	4.4
455.22638	0.9
473.23972	100.0
474.23792	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2354
Annotation	Lys Tyr Tyr
Peak:m/z	Relative Intensity
56.30794	0.6
59.69363	0.6
62.87777	0.5
69.03423	1.0
73.02893	0.7
74.18396	0.6
81.03419	0.7
81.07052	0.8
86.09650	0.6
86.87294	0.7
91.05452	1.6
93.07033	1.9
101.56246	0.6
107.08572	2.4
110.92462	0.6
115.24585	0.6
119.04948	1.3
121.10160	1.8
123.08007	0.6
125.09568	2.8
127.03868	0.9
130.05019	0.8
137.05962	1.7
139.03802	0.6
143.06888	0.6
147.04398	4.0
149.09566	0.8
153.01801	7.3
166.81328	0.6
173.09500	0.8
203.05286	0.8
213.07027	0.6
223.89459	0.7
289.08722	3.3
293.17175	5.4
293.60263	0.6
309.05933	0.8
311.18173	3.6
315.07486	0.7
315.11566	0.7
329.13245	0.8
369.18762	2.7
473.24225	100.0
474.24670	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2354
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
50.79123	0.5
69.03424	0.8
73.13560	0.5
85.02910	0.5
93.07047	0.9
98.23508	1.3
121.10146	1.2
132.13011	0.5
206.33714	0.7
289.08966	5.6
293.17249	2.9
311.18179	3.4
369.19019	1.2
455.22351	1.4
473.18881	20.1
473.23322	100.0
474.19131	2.0
474.23880	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.1
53.03941	8.4
55.01867	5.1
55.05259	1.4
55.05507	22.9
57.03421	4.2
65.03950	4.7
67.05495	53.5
69.03416	2.7
69.07069	9.1
71.04982	2.5
77.03915	2.8
79.05485	75.3
81.03410	100.0
81.07050	41.5
81.07417	0.7
82.03737	1.6
83.04971	11.4
83.08612	23.0
85.06520	3.0
91.05471	65.9
92.05795	1.6
93.07036	47.5
94.07368	1.0
95.04957	44.5
95.08597	21.1
97.02865	2.8
97.06543	4.5
97.10140	4.8
99.08006	2.1
103.05449	1.9
105.04535	4.9
105.07017	44.1
105.75690	1.0
106.07314	1.0
107.04932	12.4
107.08578	13.7
109.06519	6.5
109.10152	7.5
111.04465	1.5
111.08077	9.2
115.05450	3.7
117.07006	10.5
119.04910	1.5
119.08567	28.1
121.06520	4.5
121.10135	6.3
123.04424	1.1
123.08052	6.2
123.11703	1.4
125.09644	1.7
128.06221	3.7
129.06993	21.9
131.08546	13.4
133.06477	3.8
133.10129	10.7
135.07994	1.6
135.11571	1.6
137.09598	1.5
141.06935	1.3
142.07751	3.6
143.08539	7.1
143.16530	1.0
145.06467	2.3
145.10121	7.6
147.08028	4.4
147.11667	32.4
149.09628	3.9
155.08502	2.1
156.09248	1.0
157.10091	11.5
159.08051	1.1
161.09639	3.3
161.13200	8.8
169.10139	1.1
171.11659	21.1
171.13043	1.6
172.12042	1.9
174.90315	0.8
175.11180	10.9
177.12727	1.3
189.12717	7.5
193.12216	28.5
207.13785	24.4
211.13275	1.5
225.14876	3.1
249.14934	4.6
267.15823	1.2
281.17331	1.4
285.17307	1.0
316.63147	1.1
381.24136	2.6
399.25229	2.2
439.27142	1.4
455.27847	1.9
473.28918	58.9
474.29340	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	473.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03946	7.4
55.01865	4.8
55.05257	1.4
55.05507	20.3
56.06392	0.8
56.35323	0.8
57.03420	3.5
57.07062	1.4
61.53096	0.9
63.64167	0.8
65.03941	4.0
67.05500	52.5
69.03423	4.1
69.07066	11.2
71.04986	2.7
73.06553	0.9
73.56324	0.9
77.03922	2.0
79.05488	70.2
80.05837	0.9
81.03411	100.0
81.07050	40.6
82.03761	0.9
83.04981	13.0
83.08611	23.3
85.06538	2.8
87.43501	0.8
91.05473	57.7
92.05820	1.2
93.07039	46.2
95.04960	42.9
95.08021	1.5
95.08597	21.6
97.02885	2.9
97.06521	3.5
97.10168	4.2
98.23456	3.0
99.08079	1.4
101.05962	0.8
103.05458	2.1
105.04498	3.5
105.07022	45.6
107.04939	12.6
107.08586	14.3
109.06489	7.9
109.10181	5.2
111.04417	1.6
111.08059	9.5
112.52196	0.9
113.05936	0.8
115.05444	3.5
116.06186	0.8
117.06998	11.0
119.04919	1.3
119.08574	30.9
120.08898	0.8
121.06504	4.4
121.10147	7.2
123.08086	5.8
123.11687	1.2
125.09597	2.5
127.07518	1.4
128.06207	3.2
129.06995	23.2
131.08553	12.5
133.06473	3.0
133.10123	12.5
135.08046	2.1
135.11665	2.2
137.09615	2.3
141.06955	2.3
142.07794	4.8
143.08539	8.6
145.06487	2.2
145.10086	9.4
147.08073	4.6
147.11674	31.8
148.11951	1.0
149.09610	4.7
151.11134	1.4
153.09081	0.9
155.08559	2.2
156.09303	1.2
157.06485	1.2
157.10095	10.4
159.08061	2.0
159.11653	1.5
161.09560	2.7
161.13248	8.4
163.11186	1.1
165.12724	1.5
167.08383	0.9
169.10051	1.1
171.08105	1.9
171.11676	18.2
173.13226	1.7
175.11165	8.4
177.12749	1.2
181.10173	1.0
185.13301	1.1
187.11214	1.5
189.11302	1.0
189.12756	7.0
193.10492	1.9
193.12222	27.4
207.13783	19.7
225.14830	2.3
229.15823	1.8
231.13826	1.0
237.12576	0.9
249.14847	3.2
281.17325	1.0
358.31812	1.1
363.23181	1.7
381.24179	3.9
399.25516	1.7
417.26340	1.0
437.34302	0.9
455.27325	1.7
455.32379	1.6
473.28860	56.7
474.29214	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.4
53.12484	1.8
55.01870	3.8
55.05507	16.4
57.03428	3.7
57.07064	2.9
59.05001	3.4
67.05499	34.1
69.03425	7.1
69.07060	20.0
69.37778	3.7
69.38164	4.0
69.90339	1.7
71.04987	5.4
71.08633	3.4
73.02915	3.4
73.06546	2.0
73.55594	1.7
79.05127	1.4
79.05489	13.0
81.03414	5.8
81.07048	26.4
83.04964	3.6
83.08617	12.2
85.02863	3.5
85.06536	3.7
88.76248	1.6
91.05474	14.7
93.07043	28.5
95.04960	7.6
95.08599	28.8
97.02901	4.6
97.06535	9.9
97.10157	3.7
99.04433	3.2
99.08100	3.4
105.04504	2.2
105.07016	17.5
107.04953	3.3
107.08572	24.3
108.08902	2.0
109.02888	2.9
109.06504	7.4
109.10145	100.0
111.08065	7.3
113.09696	2.7
115.03918	2.2
115.07534	1.9
117.07019	5.2
119.08557	16.4
121.06513	5.3
121.10150	12.5
122.09669	14.6
123.08048	7.0
124.11211	2.3
125.09638	3.2
127.03884	4.5
127.11195	24.4
128.06175	2.2
129.06964	5.2
131.08562	11.1
133.10152	12.5
135.08058	6.4
135.11690	26.1
137.05975	15.5
137.09581	3.7
137.13268	4.7
142.51732	1.6
143.08574	10.2
145.06500	2.8
145.10121	15.0
147.07982	8.7
147.11687	6.2
149.09607	3.9
149.13254	4.0
150.09169	3.6
151.07611	2.1
151.11182	2.3
153.01790	4.0
153.12717	22.1
155.08569	4.9
155.14299	8.2
157.10123	6.9
159.08063	7.6
159.11632	7.2
161.06042	2.9
161.09692	4.3
161.13286	3.2
163.11211	2.9
165.07077	1.9
165.09102	3.9
167.08585	2.8
169.10085	4.0
171.08090	3.3
171.11694	5.0
171.13788	18.7
173.09584	11.9
173.13303	6.4
175.07591	6.8
175.11183	8.0
175.14893	3.0
177.09111	2.2
177.12793	3.4
179.08568	2.7
181.10074	2.7
183.08005	2.0
183.11664	7.7
185.09674	4.8
185.13272	5.2
187.11275	2.1
187.14828	2.4
189.12766	3.9
193.10187	3.1
193.15872	2.2
195.11617	4.4
197.09628	3.5
197.13242	6.4
198.14984	4.6
199.07669	2.4
199.11250	3.4
199.14821	4.3
201.12680	5.8
207.11787	2.6
207.13698	1.9
209.09634	3.2
209.13289	5.7
211.11205	2.5
213.12787	5.3
215.14348	4.7
217.15805	2.3
223.14836	2.3
225.12657	4.1
226.14307	16.3
227.14307	3.6
231.13889	3.3
233.15326	4.7
235.14835	2.2
236.11862	2.0
237.12648	1.9
237.16229	2.2
239.14305	4.9
241.15984	4.7
243.13831	2.7
245.15405	2.0
251.14229	2.2
253.15753	3.4
255.17365	3.6
257.15317	3.5
265.15863	3.3
267.17383	5.5
269.15439	2.4
274.99118	2.1
281.18832	2.5
283.16818	12.2
283.19946	1.7
285.18384	21.1
287.16449	6.2
299.16574	3.1
299.19907	3.0
301.14529	3.3
301.17966	62.2
302.18484	3.5
303.19537	9.5
311.20074	4.4
323.12625	1.9
323.19965	2.0
329.21078	4.8
339.19370	2.5
347.22208	2.9
357.20639	3.2
393.27847	5.5
395.29422	2.4
411.28906	11.2
429.29941	7.2
437.30685	9.4
455.31766	25.5
473.23584	11.4
473.32654	44.0
474.33078	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.4
56.73115	1.9
59.04990	6.2
67.05496	18.3
67.50627	1.7
69.03421	2.1
69.07065	25.8
71.43030	2.7
74.65524	1.7
79.05489	12.1
81.07053	23.6
83.04957	2.0
83.08619	12.6
85.06534	4.7
89.87918	1.8
91.05481	12.8
93.07040	19.1
95.04949	6.0
95.08599	23.9
97.06525	7.5
99.08076	3.4
105.07021	17.8
107.08597	18.3
109.06529	5.4
109.10147	32.0
111.08063	3.8
111.11756	2.6
117.07009	4.6
119.08559	12.7
121.06477	7.2
121.10121	11.4
123.08073	2.3
123.11681	4.0
125.06004	3.5
125.09591	2.9
127.07541	2.5
127.11198	3.7
128.06152	2.7
129.06953	2.9
131.08595	13.3
133.10114	7.3
135.08054	4.2
135.11685	9.8
137.05965	6.5
137.09561	2.2
137.13315	2.2
143.08562	9.7
145.10112	16.2
147.08034	7.2
147.11644	5.0
149.09590	3.5
149.13231	3.6
151.07587	2.2
153.12740	5.0
155.08542	5.6
155.14278	3.6
155.62904	1.8
157.10092	9.7
159.08080	3.9
159.11681	8.6
161.09558	7.4
161.13225	4.2
163.11118	2.1
165.09109	2.5
167.08540	2.6
169.10130	5.1
171.08011	3.7
171.11665	6.6
171.13789	7.1
173.09605	16.6
173.13258	5.8
175.11186	2.7
181.10153	4.2
183.11673	6.2
185.09584	3.5
185.13271	4.9
187.11154	3.4
187.14787	3.3
189.09012	6.1
191.10663	13.0
193.10127	2.7
195.11714	5.0
197.13287	5.7
199.11189	4.8
199.14825	8.0
203.18074	2.4
207.11726	2.8
209.09848	2.1
209.11572	2.3
209.13298	5.0
211.11263	3.5
211.14769	3.0
213.12761	5.2
219.11649	2.0
221.13289	2.5
223.11069	3.1
223.14914	2.6
225.12701	9.1
226.13383	2.3
227.14267	6.4
231.13651	2.7
233.13133	3.1
237.12827	3.3
237.16345	3.4
239.14340	4.6
241.15823	2.5
248.24068	2.0
249.14738	3.6
251.14194	2.7
253.15891	2.0
255.20824	2.3
263.16501	2.8
265.15851	5.8
269.11960	2.0
279.17441	2.4
283.16998	13.9
284.17551	2.5
293.18915	4.2
297.18295	4.2
301.17953	100.0
302.18610	7.5
311.19910	4.1
315.19495	4.9
319.20538	3.6
329.20972	5.2
337.21484	7.8
337.25049	3.1
338.21979	2.1
343.22644	6.8
355.22681	31.7
369.24271	2.4
373.23770	4.1
379.26349	2.2
393.27704	5.3
395.29468	10.4
411.28915	88.7
412.29120	7.5
413.30490	5.5
415.28525	2.7
419.29166	2.5
429.29889	6.7
437.30438	10.3
455.22195	2.7
455.31888	22.0
461.92218	2.0
473.22742	7.5
473.33060	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	473.3256
Annotation	Luffasterol A
Peak:m/z	Relative Intensity
55.05508	12.7
57.07061	4.5
59.05001	7.5
61.50877	3.0
63.48561	2.9
63.70702	2.9
67.05503	17.5
69.07121	16.0
71.05002	4.2
71.08649	3.0
75.34450	3.1
79.05470	7.2
81.07053	21.5
83.04994	3.4
83.08615	9.4
91.05479	13.5
93.07036	30.0
95.04971	4.7
95.08585	33.1
97.06536	7.7
97.10136	4.5
98.22630	6.2
99.08084	6.3
101.03207	2.9
103.57813	3.0
105.04538	3.7
105.07008	27.1
107.08568	29.9
109.06525	5.4
109.10146	51.1
111.08116	5.9
111.11716	5.0
113.09653	4.0
117.07020	10.4
119.08549	19.9
121.06525	12.0
121.10142	13.6
123.11726	11.7
127.11208	9.3
129.06996	5.6
131.08536	22.6
133.06508	5.7
133.10126	13.4
135.08067	9.6
135.11668	17.6
137.05975	5.1
137.13203	6.1
143.08562	13.5
145.06467	4.4
145.10098	33.9
147.08041	17.2
147.11699	13.7
149.09636	6.1
149.13272	6.3
151.11174	3.6
153.12755	17.3
155.08563	10.2
155.14258	4.2
157.10068	14.6
158.07217	5.0
159.08081	4.5
159.11713	13.6
161.09613	12.1
161.13231	7.8
163.14763	3.7
169.10057	7.8
171.08075	8.6
171.11682	5.8
171.13774	13.0
173.09605	54.9
173.13255	13.6
175.11209	4.4
181.10001	4.4
183.11749	5.8
185.09631	7.2
185.13228	6.7
187.11214	6.6
187.14864	7.0
189.09128	12.5
189.16408	4.0
191.10631	78.5
192.10941	4.6
193.10136	3.6
195.11710	8.3
197.09654	5.0
197.13089	7.6
199.11209	11.7
199.14755	8.4
201.16348	4.3
203.18040	3.9
205.12267	4.6
205.15848	5.9
205.19496	5.2
209.09908	4.1
209.11592	17.5
211.11189	7.4
213.12732	8.0
215.14299	5.9
217.12212	4.4
221.13338	4.8
222.13889	3.7
225.12723	9.7
225.16420	4.4
227.14308	8.9
231.13759	8.7
235.14900	4.7
235.69768	4.5
237.12897	4.9
237.16287	5.8
239.14334	13.5
243.13770	8.8
247.20522	5.3
249.14809	4.2
251.14444	4.1
253.15788	4.9
257.15167	3.6
261.14658	3.2
265.15994	10.1
265.19391	3.3
267.17453	4.4
269.19174	5.6
281.18933	7.6
283.16818	25.4
284.17587	6.3
285.18433	9.0
293.18979	7.0
297.18512	8.8
301.17911	91.0
301.21280	5.9
302.18661	13.8
303.19693	3.3
311.20026	10.2
315.19397	15.0
329.21130	6.5
337.21567	7.4
337.25278	12.0
338.12613	3.1
348.73694	3.9
355.22650	19.7
377.28329	16.7
379.26312	11.2
393.27866	6.5
395.29388	75.7
396.29477	5.1
397.27335	12.5
411.28842	84.8
413.30417	57.3
415.28296	20.0
419.29364	18.8
429.30063	9.1
437.30374	51.6
455.31461	100.0
456.31995	8.5
473.32660	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36660	1.5
55.01885	1.6
55.05513	14.0
65.03938	3.6
67.05502	31.9
69.03425	5.7
69.07071	15.6
69.63388	3.1
69.63769	3.2
71.04996	2.0
79.05494	9.9
79.21706	1.7
81.07052	22.1
83.04985	2.7
83.08614	8.6
85.06531	3.8
91.05484	11.0
93.07045	22.4
95.04968	54.9
95.08598	15.3
96.99129	1.7
97.06551	5.5
97.10172	8.8
105.03384	9.4
105.07036	18.6
107.04946	2.8
107.08597	21.2
109.06526	6.6
109.10159	27.2
111.08074	3.5
117.07037	5.6
119.04900	3.3
119.08566	16.0
121.06503	8.2
121.10143	10.0
123.04411	1.8
123.08078	12.0
123.11691	3.7
125.09618	16.0
127.07571	4.1
127.11183	8.5
128.06218	2.5
129.07018	2.0
131.08562	15.3
133.06464	4.6
133.10149	9.4
135.08037	5.5
135.11678	8.2
137.05981	6.8
137.09608	3.5
137.13254	2.0
143.08525	10.2
145.06511	2.2
145.10110	31.9
147.08063	6.5
147.11707	6.1
149.09624	5.2
151.11191	2.8
153.12833	4.1
155.08586	5.8
155.14343	5.7
157.10149	9.4
159.08075	7.2
159.11682	12.3
161.09607	6.9
161.13293	3.9
163.07526	1.7
163.11185	6.6
163.23282	1.8
165.09096	3.1
165.12827	2.0
167.08586	2.4
167.62334	1.8
169.10164	7.3
171.07999	9.3
171.11710	6.4
173.08189	3.3
173.09602	22.6
173.13225	15.3
175.11179	4.7
175.14868	5.3
177.09142	2.7
181.10046	3.6
183.11653	4.6
185.09642	3.7
185.13266	5.7
187.11183	6.3
187.14822	2.7
189.09142	6.9
189.12685	2.5
191.10634	3.6
191.14359	2.5
193.10205	1.9
193.15863	37.7
193.17540	2.6
194.10869	1.8
195.11714	6.3
197.09683	3.2
197.13243	5.7
198.10403	2.1
199.11205	6.1
199.14760	2.5
201.12834	6.8
205.12195	1.8
207.10048	2.0
207.11816	3.5
209.13284	5.1
211.11217	3.1
211.14890	4.9
213.12753	17.5
213.16252	2.1
215.14311	11.8
219.11946	2.1
219.13811	8.4
221.13269	3.0
223.11246	3.2
223.14922	3.8
225.12732	4.4
225.16476	2.1
227.14270	3.2
229.12311	2.4
231.13722	10.0
233.15378	3.6
235.14705	2.5
237.16411	5.1
239.14351	5.4
241.15971	3.3
243.13988	2.2
249.14917	6.7
253.16019	4.6
255.17355	3.2
257.15173	2.0
259.13193	2.0
261.18588	2.5
265.15875	5.1
267.17383	2.5
271.16849	10.3
283.16989	11.2
283.20282	2.4
293.19119	8.6
299.16556	2.7
301.18008	22.8
301.21402	3.7
302.18665	2.7
311.20026	19.9
313.21530	2.1
319.19095	2.7
329.21066	32.8
330.21490	1.7
339.19519	5.5
347.22165	32.6
348.22699	2.6
348.43759	2.0
353.21246	1.9
357.20547	33.4
371.22098	10.2
375.21747	3.2
403.62878	1.9
411.28900	2.1
419.29721	2.4
437.30588	5.3
455.31464	22.0
456.31854	2.2
473.17587	8.3
473.32617	100.0
474.33063	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	473.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05506	11.9
57.03429	2.1
59.04984	4.8
59.54860	1.0
65.03926	1.4
67.05160	1.5
67.05498	19.1
69.03416	2.2
69.06761	1.2
69.07066	14.0
70.04071	32.7
70.72082	1.1
70.72415	1.4
71.04984	2.6
71.08604	1.5
79.05488	8.1
81.03381	2.0
81.07048	16.2
83.05009	2.7
83.08606	13.6
85.02881	4.2
85.06521	1.7
91.05463	7.7
93.06516	1.8
93.07040	17.9
93.52905	1.0
94.99946	1.4
95.04958	3.6
95.08597	28.0
97.02857	1.2
97.06546	5.5
99.04462	1.7
99.08079	1.9
105.07011	11.5
107.04919	1.7
107.08585	15.1
109.06500	4.3
109.10143	49.1
110.10467	1.7
111.08087	9.5
111.11705	1.2
115.05443	1.2
115.07542	2.1
117.07015	2.5
119.08564	10.5
121.06471	4.1
121.10116	8.1
122.09671	4.0
123.08053	5.0
123.11667	4.4
125.09607	2.2
127.03857	1.3
127.11185	9.9
129.07001	2.2
129.09105	4.7
131.04807	1.4
131.08530	6.6
133.06439	1.8
133.10098	6.7
135.08026	3.2
135.11679	11.3
137.09613	6.0
137.13268	2.4
139.07539	1.5
141.06963	1.5
142.07756	1.6
143.08554	4.6
145.06465	1.2
145.10094	7.1
147.08003	3.1
147.11681	4.5
149.09572	3.2
149.13177	2.7
153.12709	10.6
155.08527	3.3
157.10059	5.4
159.08006	4.5
159.11690	4.5
161.09598	4.0
161.13220	2.6
163.07458	1.6
163.14726	1.5
165.09111	3.6
165.12804	2.3
167.08546	1.3
169.10088	3.3
171.08006	1.8
171.11661	3.6
171.13802	8.4
173.09590	5.1
173.13234	2.0
175.11172	8.6
177.09045	1.6
177.12703	1.8
181.10123	1.8
183.11667	2.7
185.09496	1.8
185.13246	2.4
187.11121	4.0
187.14809	2.4
189.12750	2.8
191.10571	1.7
191.14296	3.2
193.12230	2.3
193.15851	2.1
195.11649	1.7
197.13249	3.3
199.11188	3.0
199.14674	1.5
201.12740	4.4
207.11684	1.3
209.13222	3.0
210.14027	1.1
211.11121	2.6
211.14824	1.7
213.12720	3.7
215.14255	4.4
219.13818	1.7
221.13104	1.5
225.12662	2.1
225.16415	1.4
227.14238	2.0
233.15306	5.0
239.14305	1.9
239.17830	1.4
241.15916	1.7
243.13721	1.9
245.15352	2.0
253.15765	1.5
255.17424	1.7
257.15231	2.0
259.17130	1.7
265.15741	1.3
267.17474	5.4
269.15445	1.3
271.16864	4.0
283.16956	1.9
283.20535	3.6
285.18460	17.9
286.18988	2.8
297.18521	1.2
299.19974	5.1
301.18008	3.9
301.21564	15.5
302.18372	1.3
303.19574	2.9
317.21182	2.0
323.20035	1.5
325.21362	1.2
329.21136	1.4
353.24579	1.6
355.22742	1.6
393.27792	3.8
397.27243	2.7
411.28903	18.0
419.29391	1.4
429.29935	14.9
437.30518	12.0
438.30811	1.8
455.25574	2.3
455.31552	28.5
456.31815	2.2
473.23404	100.0
473.32401	21.3
474.23703	7.1
474.32635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43923	1.9
69.07053	2.4
69.32832	8.5
79.41614	1.6
81.07026	3.2
83.75383	1.8
95.08556	2.2
134.98198	4.8
135.97543	2.0
148.85342	1.8
155.45419	1.7
176.76294	1.7
213.62881	1.9
228.22885	2.3
337.23450	100.0
338.23608	4.3
339.28876	4.2
388.35419	1.8
394.96878	2.3
473.25995	5.8
473.35928	43.4
488.64413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Odoratone
Peak:m/z	Relative Intensity
55.05511	9.7
57.07092	3.0
67.05493	17.5
67.54885	2.4
69.06967	14.0
69.07355	4.5
79.05492	16.6
81.03410	5.2
81.07047	21.4
83.08617	10.7
84.09609	2.6
91.05483	11.7
93.07025	16.2
95.04968	6.0
95.08593	35.9
99.39386	2.9
105.07004	24.1
107.08585	37.0
109.10141	19.0
117.07014	2.9
119.08582	22.2
121.06435	2.8
121.10132	27.8
123.11684	6.5
131.08585	7.1
133.10123	23.6
135.11664	19.9
145.10124	17.6
147.11659	15.9
149.09669	2.9
149.13277	8.3
153.09026	2.8
159.11664	11.3
161.13232	13.3
163.11160	17.2
163.14833	5.3
171.11714	4.7
173.13301	4.6
175.14827	15.6
177.16360	22.4
179.14256	3.7
183.11768	3.0
187.14807	18.3
189.16373	53.8
191.17984	6.6
193.12161	5.1
201.16360	9.7
203.17938	41.6
205.15855	100.0
205.17694	5.6
205.19560	8.5
206.16168	7.5
207.17424	16.8
215.18056	3.4
249.18567	12.1
313.25272	8.9
409.34586	39.5
410.34857	8.3
427.35632	9.4
437.34174	10.8
473.28705	5.7
473.36169	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	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.7
57.07092	3.0
67.05493	17.5
67.54885	2.4
69.06967	14.0
69.07355	4.5
79.05492	16.6
81.03410	5.2
81.07047	21.4
83.08617	10.7
84.09609	2.6
91.05483	11.7
93.07025	16.2
95.04968	6.0
95.08593	35.9
99.39386	2.9
105.07004	24.1
107.08585	37.0
109.10141	19.0
117.07014	2.9
119.08582	22.2
121.06435	2.8
121.10132	27.8
123.11684	6.5
131.08585	7.1
133.10123	23.6
135.11664	19.9
145.10124	17.6
147.11659	15.9
149.09669	2.9
149.13277	8.3
153.09026	2.8
159.11664	11.3
161.13232	13.3
163.11160	17.2
163.14833	5.3
171.11714	4.7
173.13301	4.6
175.14827	15.6
177.16360	22.4
179.14256	3.7
183.11768	3.0
187.14807	18.3
189.16373	53.8
191.17984	6.6
193.12161	5.1
201.16360	9.7
203.17938	41.6
205.15855	100.0
205.17694	5.6
205.19560	8.5
206.16168	7.5
207.17424	16.8
215.18056	3.4
249.18567	12.1
313.25272	8.9
409.34586	39.5
410.34857	8.3
427.35632	9.4
437.34174	10.8
473.28705	5.7
473.36169	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	474.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
55.63500	0.4
57.03434	2.5
61.02925	0.6
67.05492	0.8
67.38853	0.4
69.03422	1.3
69.07063	2.3
69.44854	2.0
70.04070	100.0
71.04407	0.4
73.02905	0.5
75.04456	0.5
79.05466	0.7
81.03420	0.5
81.07049	1.2
83.08660	0.5
85.02903	5.8
87.08101	0.8
91.03975	0.6
91.05485	0.6
93.07040	0.8
94.58336	0.5
97.02889	1.3
97.06535	4.3
98.23552	0.5
99.79031	0.5
109.02854	0.7
109.10149	0.6
115.07552	7.5
119.08604	0.8
121.06564	0.6
121.10139	0.5
127.03933	1.5
137.05981	0.7
145.04921	2.6
147.08022	0.6
159.11801	0.5
163.06071	1.0
163.07516	0.5
175.07503	3.8
177.09131	1.1
184.10863	0.7
187.14948	0.5
232.09340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
57.03417	1.3
67.05811	0.8
68.50333	0.7
69.03420	4.4
70.06570	0.7
70.68185	1.2
79.01831	1.8
79.05446	3.2
81.03413	6.3
81.06998	2.4
83.04930	2.4
83.08584	2.2
85.02908	4.8
91.05438	2.8
93.07027	1.5
95.60619	0.6
96.28706	0.6
97.02895	4.6
99.04418	1.9
105.07040	1.3
107.01265	1.5
107.08582	48.8
108.08886	1.6
109.02851	4.3
109.06525	0.8
121.10152	1.2
125.02322	2.7
125.09617	94.3
126.09948	2.5
127.03887	7.7
133.10165	0.8
137.05997	1.5
143.03368	3.8
145.04916	1.4
153.01808	100.0
154.02200	1.3
170.34805	0.7
171.02858	12.0
279.05075	0.9
294.17694	0.8
297.05991	7.1
315.07050	21.8
315.10336	1.4
316.07953	0.8
342.23044	0.9
474.24176	27.0
474.30823	1.6
475.19269	3.1
475.25394	5.1
499.10056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05505	1.8
57.03428	0.7
57.07061	1.8
59.27887	0.7
65.03919	0.7
67.05511	2.9
69.03419	2.3
69.07046	2.2
69.40428	2.2
76.68069	0.7
77.89989	0.6
79.05486	5.3
81.03423	1.6
81.07043	4.2
83.04942	0.7
85.02882	2.1
87.00845	1.3
91.05470	13.5
93.07040	5.9
95.04967	1.5
95.08621	4.0
97.02881	2.3
98.23510	1.0
99.04459	1.1
103.05440	1.1
105.01862	0.9
105.07020	15.4
106.31159	0.6
107.08591	12.1
109.02869	1.4
109.06514	1.7
109.10137	1.7
115.05424	1.1
116.06231	1.3
117.06997	6.7
119.05994	0.5
119.08566	19.7
121.06548	0.7
121.10134	13.9
123.08060	1.3
127.03876	2.3
128.06241	0.8
129.06979	5.7
130.07751	2.6
131.08554	28.3
132.08891	0.7
133.10112	8.6
135.08038	5.0
135.11687	1.2
137.05962	1.8
137.09584	1.1
142.07784	0.5
143.08562	11.8
144.09325	4.6
145.10117	19.6
147.11678	8.6
149.09665	1.1
149.13251	9.7
153.01805	0.7
155.07083	0.8
157.10103	0.9
158.10895	14.2
161.09673	0.7
171.11658	1.1
173.13245	21.1
175.14809	8.0
185.09763	0.5
191.14291	100.0
192.14641	2.6
200.14728	0.6
201.56696	0.6
209.15356	1.2
231.05058	1.1
474.24069	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05511	0.6
61.02921	0.3
64.88302	0.2
67.05498	1.1
69.03424	51.0
69.07072	1.3
69.07502	0.8
69.07924	1.3
70.03784	0.5
70.04074	8.8
71.04986	8.4
71.51245	0.2
73.43359	0.3
79.05479	1.5
81.03406	0.7
81.07051	1.1
83.04977	2.5
83.08613	0.9
85.02895	1.8
85.06546	0.4
91.05482	2.7
93.04107	0.3
93.07025	1.1
95.04942	0.9
95.08585	0.9
97.02908	0.7
98.22593	0.5
99.04477	0.3
99.08080	1.1
101.12623	0.3
105.01826	0.3
105.07040	1.8
107.08585	1.2
109.02922	0.3
109.06487	0.7
109.10151	0.9
115.07539	0.4
117.07018	0.5
119.08570	0.8
121.10132	4.1
122.09707	0.5
123.11695	0.5
127.03867	0.6
131.08556	1.0
133.10133	0.4
135.08041	100.0
136.08374	2.0
137.09644	0.3
137.13283	0.3
145.04953	0.7
145.10078	0.5
147.11629	0.9
149.09610	0.6
157.10078	0.3
163.05945	0.3
165.09033	0.3
173.09520	0.3
173.13223	1.0
181.04764	0.3
191.14293	31.8
192.14641	1.2
195.10094	0.3
243.07861	0.5
272.81366	0.3
302.18533	0.4
303.19003	0.5
330.68134	0.3
382.94043	0.3
414.30865	0.5
456.31564	1.1
474.23669	3.1
474.32800	0.5
475.32632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52485	0.9
56.96560	18.3
62.33406	0.8
65.78060	0.8
68.71830	0.8
70.06582	1.0
70.22460	1.6
84.89142	1.0
84.96028	7.8
97.96810	2.1
98.22959	1.7
98.97575	75.6
110.97559	25.4
110.98289	1.8
112.99142	3.1
116.98615	31.0
126.97038	0.9
128.98601	25.3
131.00185	5.7
134.99654	7.5
140.98601	1.7
143.00081	4.1
144.98120	2.6
146.99640	12.5
149.01260	2.2
152.98572	3.1
153.71039	0.9
158.99603	7.2
160.99211	1.0
161.01210	5.8
162.99142	1.8
170.99620	9.4
177.00731	5.2
179.00121	1.7
189.00667	8.0
193.01765	0.9
201.00636	5.1
205.01759	1.3
208.00435	2.5
211.99855	1.6
213.04362	3.1
213.75334	0.8
219.01743	50.8
220.02049	1.1
223.02693	5.6
226.01479	6.2
235.02765	19.9
237.02789	100.0
238.01292	1.4
241.03806	19.5
242.03712	1.1
244.02603	2.1
245.03302	1.7
251.02371	1.3
253.03804	16.4
255.01584	1.5
255.04019	6.3
259.04877	4.9
260.02032	2.8
263.04343	6.8
265.03894	3.5
269.03363	1.6
271.04944	5.4
278.03180	1.6
281.05463	2.4
283.04965	2.2
295.04953	2.7
304.02335	1.1
307.04959	1.2
313.05942	2.2
319.04800	3.1
325.05658	2.0
337.05856	7.4
349.05783	2.0
352.04941	1.1
353.05554	1.9
355.06973	3.0
357.08536	1.3
367.07007	17.7
371.06528	2.3
379.07095	2.8
385.07947	12.2
397.08060	6.8
415.09091	57.6
416.09476	1.6
433.10168	30.5
434.10263	1.6
456.11554	1.3
475.11145	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	475.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98566	0.4
69.77236	1.2
89.06023	0.4
90.04213	0.4
91.05415	0.6
93.07035	0.7
94.04227	0.5
98.23344	0.5
109.06493	0.4
119.90160	0.4
133.08530	0.4
137.05946	1.1
151.07597	0.5
151.63651	0.4
157.54916	0.5
175.03629	5.1
181.04994	0.4
189.05263	0.4
204.07544	2.2
217.08456	0.7
219.06387	0.6
262.21164	0.5
263.08911	4.4
277.10437	4.1
427.24811	0.5
447.95535	0.4
475.19342	100.0
476.19708	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	475.2512
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
57.03428	0.4
67.28473	0.4
69.28565	2.0
77.40105	0.3
79.05474	0.5
86.09702	0.9
91.05524	0.4
93.07037	0.4
95.04950	0.4
119.08621	0.4
125.05932	0.4
127.03944	0.5
137.06006	1.1
143.03320	0.4
153.01849	1.2
160.09715	0.4
173.09689	0.4
207.15608	0.4
229.11935	0.5
277.22946	0.4
301.18173	0.4
302.95221	0.4
313.19897	1.4
337.05093	2.1
339.65387	0.4
355.06491	2.0
371.22797	0.4
457.24924	1.0
475.25192	100.0
476.19540	0.6
476.25555	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	475.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33322	0.3
69.03440	0.3
69.07047	0.3
69.07507	0.5
69.07915	1.7
69.81091	0.3
71.04920	0.3
81.03443	0.4
81.07056	0.9
83.04963	0.3
84.25921	0.3
85.02919	0.5
91.05466	0.6
93.07060	0.8
95.04987	0.3
95.08607	0.3
97.02944	0.3
97.15897	0.3
98.22710	0.7
100.23209	0.3
105.06992	0.5
107.08597	0.5
109.06509	0.4
109.10117	0.5
119.08567	0.4
121.10144	0.9
123.08076	0.6
127.03941	0.3
131.08598	0.5
133.09984	0.3
135.08115	0.3
137.05997	0.8
145.10118	0.3
149.08397	0.9
150.09137	0.7
153.01836	0.5
157.10231	0.3
159.88193	0.3
160.09908	0.3
161.09697	0.3
163.03931	0.3
166.10283	0.2
167.45070	0.2
175.03680	0.7
177.09244	0.2
185.09639	0.4
204.73463	0.3
209.15242	0.3
218.08131	0.3
263.08917	0.7
277.10519	0.9
278.11295	0.3
313.19812	2.3
321.11450	0.4
421.23822	0.6
439.24670	1.2
457.25443	1.4
475.19379	12.2
475.25198	100.0
476.19409	0.5
476.25436	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	475.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01868	12.9
55.05507	41.7
57.03427	9.1
57.07058	1.5
65.03928	2.7
67.05497	43.5
69.03400	4.2
69.07064	10.3
70.70170	1.4
71.04978	3.7
77.03912	2.0
79.05482	39.5
81.03409	31.6
81.06564	1.7
81.07045	35.3
83.04978	7.6
83.08614	17.8
85.02901	1.6
85.06523	2.7
91.05470	32.3
93.07041	26.1
93.20383	1.2
95.01315	2.2
95.04956	22.4
95.08595	19.2
97.02885	1.6
97.06512	4.4
97.09602	1.5
97.10165	19.2
103.05480	2.7
105.03387	2.1
105.04519	1.8
105.07014	24.4
107.04920	16.5
107.08583	17.6
109.02876	9.0
109.06507	6.1
109.10143	12.1
109.60908	1.2
111.04430	3.6
111.08082	4.1
115.05431	3.7
117.07001	15.5
119.04946	6.2
119.08565	14.6
119.76891	1.1
120.86159	1.2
121.02847	2.5
121.06484	12.6
121.10162	6.8
123.04417	3.3
123.08046	7.2
125.02328	4.5
125.09621	15.0
128.06200	4.6
129.06995	12.5
130.07756	1.9
131.04919	7.8
131.08546	14.9
132.05760	1.7
133.06497	15.8
133.10118	5.2
135.04417	4.2
135.08043	6.7
135.11694	6.7
137.05981	3.0
137.09605	2.9
141.06973	4.9
142.07735	1.4
143.08533	9.1
144.05620	1.6
145.06464	16.6
145.10089	13.5
147.04401	8.3
147.08026	10.6
147.11664	2.6
149.05995	4.0
149.09604	5.7
151.07507	1.7
153.07007	1.5
153.09045	2.9
154.07777	1.7
155.08519	8.5
157.06499	5.3
157.10103	7.4
159.04393	3.5
159.07994	7.7
159.11668	3.3
160.05191	5.7
161.05954	35.1
161.09607	5.0
163.11171	10.0
165.06927	2.6
167.08537	3.9
168.09331	1.3
169.06444	3.9
169.10112	3.6
171.08046	10.3
171.10237	1.8
171.11658	2.4
173.05896	7.7
173.09566	10.7
175.07552	6.6
175.11153	3.9
179.08456	2.4
181.10086	4.9
183.08006	4.5
183.11678	3.7
185.05910	1.6
185.09607	4.7
185.13242	3.2
187.07564	4.5
187.11163	4.6
189.09077	3.7
189.11208	5.5
191.10658	5.0
193.10204	2.3
193.12228	9.6
193.57788	1.3
195.07983	2.7
195.11670	1.8
197.09576	5.1
197.13266	3.1
199.07605	1.6
199.11234	2.9
201.09064	2.2
201.12791	2.3
203.14288	2.4
205.10213	1.2
205.12218	3.6
207.11772	2.1
209.09683	1.5
209.11624	2.2
211.07393	1.6
211.11157	3.6
213.12611	2.5
215.14284	1.9
221.13402	1.5
223.11180	2.1
225.12726	3.9
227.10733	2.2
227.12793	5.1
229.12183	3.2
231.13672	6.7
235.11145	1.9
237.11108	2.9
239.10637	1.9
243.13791	6.7
247.13374	1.4
249.15016	1.4
253.12318	2.6
257.15329	3.2
269.15256	7.5
271.13120	6.0
273.14859	9.4
285.14807	1.8
287.16415	2.9
289.14273	21.3
292.02603	1.2
299.16397	2.6
303.15930	4.4
311.16440	1.1
327.22894	1.5
337.21674	3.2
347.19965	3.6
355.22626	8.7
365.21030	22.8
373.23639	2.1
383.22107	92.1
384.22424	5.0
393.24167	1.9
401.23187	34.8
402.23627	2.8
403.22458	1.2
411.25116	1.7
419.24188	2.9
421.23669	5.3
429.26349	1.9
431.24231	9.5
439.24887	12.0
457.20718	1.3
457.25800	54.7
458.26059	5.3
475.26843	100.0
476.27039	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30625	1.0
51.52621	1.1
53.03937	7.7
53.80790	1.1
55.01863	4.5
55.05508	29.5
57.03419	5.9
57.07071	4.2
59.96341	1.1
59.99937	1.2
65.03938	5.3
67.05496	97.9
69.03408	1.7
69.07063	27.2
69.07440	1.7
71.04994	3.9
71.41896	1.2
73.06528	1.4
77.03938	2.3
79.05483	93.2
80.05817	1.3
81.03410	15.1
81.07047	100.0
82.07362	1.4
83.04969	20.9
83.08607	17.8
85.06518	5.3
91.05469	67.9
92.05824	1.5
93.07034	97.8
94.07392	1.5
95.04958	34.5
95.08596	35.4
97.06519	15.2
97.10178	4.4
99.08121	2.4
105.04512	7.8
105.07016	45.8
105.07727	2.3
107.04931	7.2
107.08578	44.8
109.06501	9.9
109.10143	7.9
111.08087	4.6
113.09634	1.8
115.05440	1.5
117.07003	13.6
119.08563	23.7
120.96574	1.2
121.06520	5.0
121.10126	18.7
123.08059	6.9
125.09640	2.6
127.07629	1.7
128.06221	3.0
129.06989	15.7
131.08575	10.7
133.06477	1.8
133.10127	16.5
135.08047	3.0
135.11664	8.2
137.09613	1.6
139.11221	1.3
141.06934	1.1
143.08557	10.3
145.06589	1.4
145.10101	9.8
147.08093	3.1
147.11671	36.3
149.09645	1.7
149.13242	25.1
157.01010	1.3
157.10138	1.4
159.08124	1.7
159.11699	11.2
161.05992	2.3
161.09560	5.2
161.13264	12.2
163.11253	2.2
171.11661	26.3
171.13036	2.0
172.12047	1.5
177.12714	5.1
179.14398	1.9
189.12721	11.4
193.12251	2.3
195.13757	7.4
207.13785	31.1
208.14275	1.2
213.14850	2.9
225.14825	4.4
281.17584	1.7
289.07791	1.2
289.14185	1.1
313.27322	1.3
314.13367	1.2
319.89709	1.1
330.64096	1.2
365.24796	1.6
383.22256	4.4
395.39404	1.1
401.23297	2.1
433.23105	7.8
457.26010	3.5
464.82895	1.3
475.30685	66.1
476.26373	1.3
476.31223	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.6
53.03937	4.9
53.81488	1.0
55.01863	4.2
55.05509	22.8
57.03440	6.7
57.07063	2.7
58.06581	3.6
59.05002	1.5
65.03926	4.9
66.69163	1.0
67.05498	85.9
69.03421	2.1
69.07058	22.4
69.86726	2.5
69.87098	2.1
71.04982	4.7
73.06541	1.8
77.03912	2.9
79.05483	98.7
80.05827	1.0
81.03412	9.1
81.07047	100.0
83.04965	14.3
83.08609	16.2
85.06530	3.6
87.04456	2.1
88.02643	1.0
91.05469	67.8
93.07035	84.6
95.04954	28.5
95.08598	35.0
97.02890	1.3
97.06528	14.1
97.10165	3.8
99.08072	2.6
103.05488	1.5
105.04512	6.2
105.07017	41.6
107.04956	5.8
107.08578	35.5
109.06519	8.3
109.10149	6.3
111.08057	8.0
117.07013	15.5
119.08566	22.5
121.06489	4.0
121.10132	14.7
123.08053	3.9
123.11699	2.5
127.07544	1.5
128.06224	2.9
129.06987	12.4
131.08540	10.7
133.06581	1.3
133.10112	12.6
135.08041	2.4
135.11668	8.0
139.11255	1.5
141.06941	1.6
143.08525	6.8
145.10081	7.6
147.08064	3.2
147.11671	30.8
148.12057	1.2
149.13235	24.5
150.69412	1.1
157.10056	1.4
159.11687	9.5
161.09642	4.1
161.13239	13.0
171.10385	0.7
171.11671	24.8
177.12766	5.0
189.12715	11.3
195.13773	7.7
207.13762	29.5
207.15567	2.1
225.14856	3.0
236.14926	6.2
237.15323	3.3
263.16202	1.2
276.97583	1.3
281.17319	1.9
420.41592	1.1
457.37415	1.5
475.30588	64.1
475.37997	7.5
476.30762	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89834	1.1
51.02354	1.8
53.03936	4.7
53.94734	0.9
55.01857	3.3
55.05257	2.2
55.05505	27.0
57.03445	5.6
57.07055	3.4
65.03928	5.4
67.05499	92.4
69.03410	2.1
69.06703	1.8
69.07062	26.5
69.22058	5.5
71.04988	5.6
73.06542	2.4
77.03905	1.8
79.05486	100.0
80.05824	1.5
81.03406	11.6
81.07050	92.9
83.04974	17.1
83.08614	15.7
85.06531	5.0
91.05471	70.9
93.07036	86.5
95.04958	31.4
95.05450	0.8
95.08595	34.7
97.02905	1.2
97.06517	12.4
97.10151	3.7
99.04368	1.1
99.08095	2.5
103.05432	1.6
105.04526	5.6
105.07018	44.3
107.04938	6.5
107.08583	40.5
108.64509	1.0
109.06486	6.2
109.10168	6.9
111.08071	6.9
113.09662	1.3
115.05455	2.4
116.01638	0.9
117.07001	12.5
119.08562	23.7
121.06488	5.0
121.10140	17.5
123.08026	5.5
123.11688	2.6
125.09627	1.2
127.07514	2.1
128.06198	2.5
129.06992	14.1
131.08548	14.0
133.06467	1.3
133.10112	14.7
134.10522	1.2
135.08034	1.8
135.11697	6.9
139.11189	1.8
143.08539	8.1
145.10069	8.4
145.11076	1.3
147.08052	3.3
147.11670	29.8
149.09595	1.5
149.13246	24.9
159.11671	10.3
161.09625	3.9
161.13222	12.8
165.09106	2.5
167.14198	1.7
171.11673	27.1
177.12703	5.7
179.14290	1.7
186.95091	1.1
189.12718	10.1
195.13777	7.1
207.13791	29.5
225.14810	5.1
269.17578	1.3
291.27908	1.1
401.27164	1.4
424.17444	1.1
457.29501	1.2
475.30475	72.0
476.30624	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.2
51.75753	1.2
53.03943	7.0
55.01863	3.3
55.05506	26.4
57.03439	6.4
57.07058	3.3
64.49128	1.0
65.03928	5.2
67.05499	93.5
68.05836	1.3
69.03427	1.2
69.07061	23.7
71.04989	6.2
73.06557	2.0
77.03950	2.7
79.05487	100.0
80.05838	1.2
81.03408	11.8
81.07050	93.8
83.04970	12.0
83.08611	17.5
85.02918	1.0
85.06533	4.7
88.12321	1.0
91.05473	65.0
93.07036	89.5
95.04958	23.7
95.08017	2.1
95.08601	32.3
97.02892	1.7
97.06528	11.9
97.10168	4.1
98.22704	2.9
99.08093	3.5
100.09043	1.0
103.05430	1.7
105.04518	7.1
105.07021	42.4
107.04951	8.4
107.08586	37.9
109.06500	7.1
109.10157	6.1
111.08084	6.2
115.05462	3.0
117.07008	14.1
119.08564	21.6
121.06509	3.7
121.10128	13.5
123.08060	6.5
123.11695	1.6
124.12685	1.2
127.07551	1.5
128.06206	3.5
129.07002	15.1
130.07811	1.3
131.08551	9.6
133.06573	1.3
133.10123	15.4
135.08101	2.3
135.11687	5.9
139.11172	1.8
143.08545	7.7
145.10106	8.6
147.08028	2.4
147.11671	31.2
149.13245	25.5
151.11220	1.0
159.11670	10.1
161.09625	4.6
161.13239	11.4
171.11679	23.0
173.09462	1.0
177.12735	4.3
187.05884	1.1
189.12723	11.0
195.13754	6.6
207.13768	27.2
225.14873	3.5
269.17496	1.6
281.17172	1.3
449.71143	1.2
475.30557	54.5
476.30679	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
54.56884	2.2
55.01865	4.8
55.05507	24.0
57.03413	7.3
62.29863	2.6
65.03923	6.3
67.05501	84.9
67.05859	4.6
69.07064	22.1
71.04987	3.2
79.05486	92.9
80.05823	2.5
81.03419	9.7
81.07047	97.4
83.04973	17.9
83.08605	16.9
85.06533	5.2
91.05472	71.3
93.07034	100.0
95.04946	32.2
95.08598	34.5
97.06538	15.1
97.10169	3.2
98.23086	18.2
105.04511	3.8
105.07020	39.6
107.04970	6.9
107.08584	40.3
109.06500	9.0
109.10123	7.0
111.08081	5.9
115.05444	3.6
117.07003	10.8
119.08576	19.9
121.06516	5.7
121.10103	15.7
123.08035	4.5
123.98283	2.4
124.98376	2.5
128.06190	4.6
129.06973	11.7
131.08562	9.7
132.25284	2.4
133.10126	9.5
135.07993	4.3
135.11685	8.2
139.11194	2.7
143.08583	5.9
145.10141	7.6
147.11661	30.9
149.13254	26.9
159.11700	11.8
161.09583	4.3
161.13260	10.5
168.41588	2.6
171.11661	20.4
177.12749	4.6
189.12715	11.7
195.13824	6.3
200.22958	2.5
207.13794	27.1
225.14899	3.5
230.23320	2.5
281.17444	3.1
297.17020	2.8
351.18338	2.9
354.76385	3.2
401.02121	2.9
427.61374	3.2
431.85330	2.7
433.23047	4.3
475.10455	6.5
475.30453	62.3
476.30710	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	475.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03941	6.7
55.01868	4.6
55.05251	2.1
55.05507	28.1
57.03437	7.1
57.07064	2.0
63.00852	1.2
65.03922	5.4
67.05499	96.3
67.51674	1.0
68.05832	1.6
69.03448	1.2
69.07062	25.5
69.65830	3.0
71.04993	4.8
73.06562	1.5
73.67215	1.1
77.03921	3.6
79.05486	100.0
80.05815	2.2
81.03410	12.1
81.07049	93.5
83.04978	17.2
83.08606	14.7
85.06536	3.5
91.05473	76.4
93.07036	89.1
94.07382	1.6
95.04960	31.2
95.08597	37.9
97.06516	12.5
97.10178	3.6
98.42557	1.0
99.08106	3.0
105.04527	6.4
105.07019	39.5
107.04920	6.5
107.08586	33.5
109.06493	6.2
109.10136	5.3
111.08076	7.6
113.09650	1.6
115.05480	2.0
117.07006	14.4
119.06093	1.4
119.08566	24.2
121.06514	4.6
121.10147	15.3
123.08062	5.1
127.07568	1.9
128.06224	3.7
129.06985	15.4
131.08545	9.2
133.06424	1.3
133.10124	11.4
135.08127	2.5
135.11693	6.1
137.09680	1.1
143.08553	7.9
145.10103	8.0
147.08047	3.1
147.11687	26.5
148.12148	1.4
149.13248	22.0
151.11130	1.3
156.09402	1.0
159.11685	8.7
161.09642	3.6
161.13243	10.1
162.11206	1.1
163.11105	1.4
171.11678	21.5
171.13037	2.0
177.12799	4.3
189.12740	8.7
195.13640	5.8
207.13786	22.0
225.14888	2.9
269.17444	1.6
329.15305	1.3
475.30539	47.3
476.30630	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11677	1.0
50.87078	1.1
51.02368	1.6
53.03947	7.2
55.01861	5.7
55.05508	26.5
57.03447	5.7
61.75317	1.1
65.03941	5.8
67.05499	95.8
67.12153	1.2
68.05838	1.7
69.03445	2.6
69.07060	26.3
71.05003	6.1
73.06546	2.4
77.03934	2.7
79.05486	100.0
80.05816	1.3
81.03412	18.9
81.07049	98.4
82.07401	1.8
83.04972	15.9
83.08614	18.6
85.02888	1.5
85.06555	5.1
91.05473	79.3
93.07037	93.9
94.07394	1.9
95.04961	29.0
95.08595	33.8
97.06524	14.5
97.10166	5.0
99.08119	3.3
104.06377	1.0
105.04514	6.3
105.07020	41.9
107.04939	9.4
107.08579	38.0
109.06508	5.4
109.10150	7.9
111.04501	1.5
111.08055	7.9
115.05434	1.9
115.22619	1.3
117.07002	15.2
117.07665	1.2
119.08562	23.3
119.09269	1.5
121.06551	5.0
121.10130	16.8
123.08059	5.9
123.11712	2.5
125.09652	2.7
127.07549	1.8
128.06227	4.8
129.06995	13.3
131.08554	11.0
133.06491	1.7
133.10120	17.0
135.08032	2.1
135.11679	10.5
136.56987	1.2
139.07529	1.1
139.11166	1.4
142.07822	1.4
143.08589	8.6
145.06543	1.5
145.10100	11.0
147.08076	5.0
147.11685	34.3
149.13242	23.7
151.11255	1.6
153.09244	1.3
153.12817	2.0
157.10219	1.3
159.11679	10.3
161.09669	4.6
161.13242	10.9
162.02995	1.0
163.11218	2.2
167.14308	2.0
169.10048	1.4
171.11664	26.7
177.12814	5.2
177.14755	1.0
189.12695	11.2
193.12114	1.9
195.13721	6.8
207.13774	25.5
207.15526	1.9
213.85931	1.2
225.14955	4.5
226.92995	1.5
227.12744	2.1
297.23300	1.2
383.22250	1.9
475.30698	66.1
476.31335	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.9
53.03944	5.0
55.01870	6.0
55.05506	24.9
55.34080	0.9
56.05839	1.0
57.03184	0.9
57.03429	5.6
57.07061	2.9
59.04977	1.2
65.03944	6.0
67.05498	90.9
69.03421	1.1
69.07060	26.5
69.22321	5.0
70.12893	1.0
71.04987	5.3
71.08607	0.8
73.06538	1.9
77.03926	3.0
79.05486	95.6
81.03416	9.0
81.07048	100.0
82.07382	1.1
83.04972	15.4
83.08609	17.6
85.02889	1.2
85.06548	5.2
91.05470	68.4
92.05766	1.0
93.07035	90.0
95.04961	30.3
95.08598	37.3
95.09211	1.9
97.06519	11.8
97.10176	3.6
98.22655	1.9
99.08067	2.3
103.05453	1.7
105.04531	5.5
105.07018	40.8
105.07733	2.0
107.04957	7.3
107.08581	36.4
109.06521	5.9
109.10142	5.6
111.08078	7.5
113.05974	0.9
113.09602	0.9
115.05455	2.2
117.06998	13.8
119.08572	23.4
121.06476	4.3
121.10126	14.4
123.08070	5.0
123.11698	2.8
127.07552	2.2
128.06235	2.9
129.06985	13.2
131.08569	10.4
133.06500	1.2
133.10107	15.8
135.08051	1.8
135.11674	7.7
139.07495	0.9
139.11111	0.9
141.09123	1.1
143.08554	6.8
145.10117	8.3
147.08084	1.6
147.11665	29.6
149.09644	0.8
149.13243	23.3
151.11145	1.5
159.11690	8.6
161.09592	3.8
161.13232	10.9
163.11136	1.1
167.14217	1.0
171.11673	23.8
177.12694	5.5
179.14339	0.9
189.12720	11.3
195.13770	7.5
207.11842	1.0
207.13770	31.3
225.14832	3.2
269.17401	1.2
281.17346	1.5
355.26068	1.0
457.29517	1.2
462.98703	1.0
463.33270	1.0
475.30463	61.9
476.30804	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	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.4
53.03941	7.5
55.01857	5.0
55.05510	27.6
57.03429	5.7
57.07065	2.0
59.05809	1.2
59.47871	1.3
64.97962	1.2
65.03926	4.9
67.05499	89.5
69.07066	27.0
69.75633	3.1
69.75984	2.4
71.04980	6.5
73.06539	1.4
77.03925	2.5
79.05488	95.9
80.05823	2.1
81.03415	10.8
81.07050	100.0
83.04978	17.1
83.08612	14.6
84.16410	1.3
85.06533	4.7
89.97145	1.3
91.05477	70.3
92.05843	1.5
93.07037	94.2
94.07379	1.6
95.04962	33.7
95.08598	37.6
97.02911	2.1
97.06520	11.7
97.10157	3.5
98.23508	1.4
99.08099	1.6
104.47448	1.2
105.04515	6.7
105.07026	41.7
105.07738	2.2
107.04945	8.2
107.08589	40.2
109.06507	5.5
109.10168	5.8
111.08099	5.4
115.05457	2.2
117.06986	13.2
119.08572	22.8
121.06500	5.4
121.10135	16.0
123.08087	4.0
123.11694	2.1
125.09565	1.5
127.07588	2.1
128.06233	2.4
129.07001	13.3
130.07820	1.4
131.08569	12.3
133.10138	18.2
135.08026	3.0
135.11687	8.2
141.07082	1.7
143.08530	6.7
145.10139	8.4
147.08087	3.2
147.11679	33.8
149.13249	24.9
151.11153	1.5
156.09285	1.3
157.10107	2.0
159.11650	11.7
161.09610	5.4
161.13228	10.3
171.11659	25.3
172.11983	1.6
177.12758	5.2
179.14388	1.4
189.12694	9.9
189.64847	1.4
195.13759	7.1
207.13776	30.3
207.15588	2.4
207.83386	1.3
213.14825	1.7
225.14903	2.7
281.17688	1.9
379.98828	1.3
389.63287	1.4
401.72278	1.3
475.30563	59.5
476.30637	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.3
53.03934	6.6
55.01862	4.4
55.05254	1.9
55.05507	28.4
57.03430	5.4
57.07063	3.1
59.04985	1.5
65.03932	7.0
67.05498	95.2
69.03422	1.7
69.06707	2.0
69.07063	26.2
71.04990	5.6
71.42148	1.0
73.06548	2.0
77.03925	3.9
79.05485	100.0
81.03406	11.5
81.07050	98.8
81.07412	2.1
83.04973	18.2
83.08608	19.4
85.06515	5.8
91.05471	77.6
92.05766	1.2
93.07034	97.7
94.07366	2.1
95.04961	33.2
95.08594	41.9
97.02892	1.1
97.06522	13.2
97.10166	4.1
99.08099	2.8
101.06042	1.2
103.05405	1.6
105.04510	7.4
105.07018	51.6
107.04951	9.4
107.08585	43.1
108.08904	1.3
109.06498	7.7
109.10135	6.4
111.08054	6.8
113.09680	1.3
115.05447	2.2
117.07005	14.0
119.06017	1.3
119.07221	1.1
119.08573	24.3
119.45035	1.1
121.06485	4.3
121.10135	19.5
123.08057	6.9
123.11701	3.7
125.09618	1.6
127.07545	2.0
128.06238	2.8
129.06989	18.4
131.08554	10.8
133.10129	17.4
135.08031	1.8
135.11697	11.9
137.05975	1.1
141.06950	1.1
141.09053	1.1
143.08531	8.0
145.10133	9.5
147.08049	2.9
147.11676	32.6
149.13239	26.1
151.11157	1.6
159.11676	11.5
161.09592	5.5
161.13248	12.9
163.11162	1.8
171.11678	26.3
172.14113	1.2
177.12720	6.3
189.12711	12.3
195.13777	9.1
205.70303	1.2
207.13794	36.0
225.14841	4.0
239.55046	1.1
269.17526	2.4
281.17563	1.4
457.29681	2.2
475.30508	76.6
476.31085	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.4
57.07071	40.8
67.05499	5.1
69.07076	6.3
70.49527	4.4
74.59480	2.3
79.05490	5.2
81.07050	19.0
83.08595	11.7
85.06560	4.8
91.05504	9.2
93.07043	18.3
95.04980	2.8
95.08640	8.4
99.08117	3.2
105.07035	10.2
107.08624	7.7
107.89915	1.9
108.22755	2.2
109.06508	17.5
109.10165	2.2
111.08096	7.2
113.09612	2.2
117.07049	5.3
119.08602	9.8
121.06530	7.4
121.10169	5.0
123.08060	39.4
125.09663	3.1
127.07551	37.0
129.07066	2.8
131.08554	12.4
133.06514	2.6
133.10138	5.8
135.08084	4.9
137.05978	3.7
137.09639	5.1
139.11264	2.6
143.08594	8.5
145.06529	3.2
145.10094	14.1
147.08057	4.7
147.11710	4.3
149.09654	6.4
155.08582	5.9
155.10692	2.5
157.10172	9.0
157.12245	3.6
159.08105	6.6
159.11740	6.3
161.09674	9.3
161.13307	3.1
163.11227	3.8
167.08624	2.6
169.07689	2.5
169.10202	2.7
170.29178	2.7
171.08054	6.3
171.11722	4.0
173.09615	17.2
173.13225	12.5
175.11288	3.6
177.12837	6.9
181.10086	2.9
183.11748	3.9
185.09633	5.5
185.13268	3.0
187.11235	5.2
189.09135	3.3
191.10750	4.1
195.11760	2.7
197.09592	2.6
197.13258	4.9
199.11258	5.5
200.11916	2.2
201.12828	6.6
209.13458	3.9
209.15274	11.0
213.12746	7.1
215.14407	8.8
221.13463	2.3
223.11407	2.8
225.12805	5.3
227.14285	2.8
229.15733	2.4
231.13811	12.6
241.16092	3.2
247.13408	3.7
249.14867	10.2
251.14273	2.6
265.15973	6.4
283.17047	7.1
293.19153	4.0
299.16476	2.6
301.17935	16.6
302.18826	3.7
311.19958	3.4
321.18506	3.6
329.21338	14.1
335.19980	2.4
339.19757	3.0
347.22250	7.3
353.21078	3.3
355.22720	3.2
357.20770	5.9
371.22168	88.0
372.22589	6.8
373.23773	4.7
393.85703	2.5
399.25296	6.0
421.27399	6.9
439.28342	15.0
445.14688	2.3
457.29453	58.8
458.29858	2.8
475.32465	100.0
476.32770	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	475.3419
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.01866	5.6
55.05512	41.1
57.07058	10.5
62.74330	3.2
66.05590	3.0
67.05495	32.1
67.08004	3.0
69.07060	36.2
70.64753	5.6
70.65111	3.6
71.05009	4.5
71.08629	5.0
73.04258	3.1
79.05505	24.6
81.07050	60.9
81.67664	3.3
83.08609	23.4
91.05479	24.0
93.07037	44.8
95.04959	7.1
95.08015	7.4
95.08601	100.0
95.09214	5.4
96.49075	2.8
97.06519	7.7
97.10161	34.2
98.22976	4.5
105.07021	27.4
107.04919	4.2
107.08581	41.4
109.06505	10.9
109.10146	45.8
111.08065	5.7
117.07005	14.1
119.08566	28.8
119.87819	3.6
121.06480	6.3
121.10126	38.5
123.04395	3.9
123.08051	17.7
123.11699	14.0
127.11189	8.4
129.07019	5.4
131.08559	19.9
133.06522	3.2
133.10095	19.0
135.08047	9.2
135.11661	15.7
137.05952	11.8
137.09592	5.3
137.13242	81.7
138.13603	3.8
141.09151	4.6
143.08534	16.9
145.06456	3.7
145.10115	22.1
147.08054	13.6
147.11682	13.4
149.09604	6.2
149.13228	4.7
151.03824	5.0
151.11240	7.5
155.08589	10.6
155.14282	18.7
157.10123	14.9
159.08022	7.5
159.11737	17.7
161.09619	14.7
161.13222	9.7
163.11221	8.3
163.14813	7.3
169.10117	7.7
171.07990	6.7
171.11644	8.3
173.09622	23.2
173.13232	6.1
175.11218	9.1
177.16388	9.8
181.10150	4.8
183.11710	4.9
185.09660	4.3
185.13231	7.1
187.11180	12.5
187.14746	7.8
189.09113	8.5
189.16451	12.4
191.08327	3.6
191.10674	11.7
195.11696	4.5
197.13242	8.6
199.11188	6.1
199.14760	7.3
201.12811	5.1
205.12079	5.3
207.17433	10.2
211.11104	4.4
213.12738	7.7
215.14343	26.4
221.13376	4.1
227.14340	7.7
231.13791	12.7
233.15323	27.1
245.15445	4.2
249.14749	4.7
267.17249	5.0
283.16983	7.7
285.18433	4.2
301.17984	35.7
311.19995	4.1
313.21469	4.2
337.21570	9.5
341.21033	5.4
343.22501	5.6
355.22598	18.9
359.22104	6.1
361.23764	9.7
373.23691	25.9
403.30206	4.7
421.30988	9.2
439.32071	53.2
457.26907	6.8
457.33072	72.5
458.33261	4.9
475.17798	7.5
475.33615	60.8
476.34622	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	475.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
55.05504	15.6
57.72108	4.1
59.04977	4.7
59.91130	3.7
61.67228	4.0
65.03933	4.3
66.25328	3.0
67.05501	35.2
69.03422	9.1
69.07058	21.9
71.04952	4.2
79.05489	20.0
81.03411	6.1
81.07054	28.2
83.04980	6.1
83.08620	11.3
85.02901	4.8
85.06535	4.0
91.05470	88.3
91.27300	3.3
93.07043	29.6
95.04955	13.8
95.08600	36.5
97.06543	5.6
97.10164	7.7
104.24332	3.6
105.07027	27.3
107.04958	8.7
107.08572	21.4
108.17372	3.2
109.06545	7.2
109.10130	42.2
111.08133	6.4
111.60317	3.1
117.07024	8.8
119.04967	4.2
119.08561	29.0
121.06501	12.3
121.10144	11.6
122.09687	7.7
123.08065	5.2
123.11701	11.8
125.09644	4.6
127.03962	4.5
129.07010	9.1
131.08571	15.9
133.10149	14.5
135.08051	11.0
135.11649	12.5
137.05962	8.1
137.09628	5.2
137.13225	7.2
141.06961	3.8
143.08540	8.3
145.06438	4.7
145.10129	16.3
147.04494	4.6
147.08099	5.2
147.11688	10.1
149.09653	6.5
149.13229	8.5
149.39174	3.7
151.07530	6.9
153.12752	5.9
155.08604	4.7
157.10098	11.0
159.08057	6.3
159.11699	8.9
161.09641	10.6
163.11275	9.4
165.09091	11.0
167.07103	4.6
167.08501	5.5
171.08096	5.3
171.11752	6.4
173.09589	17.3
173.13237	5.9
173.52107	3.9
175.11063	4.6
181.10149	4.8
183.11703	13.1
185.09596	4.5
185.13304	5.4
187.11154	5.4
191.03249	5.0
191.10687	7.8
193.10132	3.8
193.12054	4.0
197.27296	3.7
199.11194	7.1
199.14920	6.9
201.12692	19.9
211.14873	5.9
213.12724	5.9
223.14824	7.4
233.04463	4.2
239.14354	5.7
241.15819	13.8
259.16974	10.6
267.17361	6.2
271.16830	7.2
283.16928	4.0
285.18347	11.0
293.08105	12.6
301.18051	8.5
321.22083	4.8
335.09177	13.1
339.23181	6.4
353.10135	5.0
365.21194	4.3
383.22174	10.1
395.29492	17.6
413.30478	100.0
414.30820	8.0
421.30795	6.2
439.32086	30.7
456.84882	4.5
457.25967	8.8
457.32547	10.6
457.38885	3.8
475.19861	6.7
475.25943	18.3
475.32822	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01869	4.4
57.03428	2.0
59.40987	0.7
60.03615	0.7
61.02916	1.8
63.03172	0.7
68.99767	1.0
69.03428	6.6
70.71821	1.1
71.04984	1.5
73.02905	1.9
79.05482	4.3
81.03403	7.9
85.02897	17.5
87.00816	7.3
91.05489	1.4
95.04921	1.4
97.02892	6.1
97.85158	0.8
99.04462	2.5
103.05447	5.3
105.01847	5.0
105.04498	0.8
105.07020	46.9
108.04442	4.2
109.02866	6.5
115.05442	12.0
118.04150	3.5
126.05462	1.9
127.03895	10.7
129.01822	1.1
131.04922	2.1
133.06474	48.4
134.06833	1.1
143.04988	1.6
143.06032	4.8
145.04935	4.1
153.01813	1.0
159.02896	4.1
161.05963	100.0
162.05359	1.8
193.08583	85.7
194.08931	1.7
211.09763	1.1
231.04904	1.9
248.07611	1.2
292.10080	0.8
346.57669	0.8
449.42795	0.9
476.20667	2.7
494.41763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
53.89429	0.6
55.01870	3.2
57.03414	0.9
61.02914	0.9
69.03426	5.1
70.50768	0.6
71.05003	0.9
71.41094	0.8
73.02919	1.2
78.40838	0.6
79.05506	4.4
81.03408	5.3
85.02899	13.6
87.00816	5.6
91.05467	1.5
95.04962	1.4
97.02877	5.4
99.04430	2.5
103.05447	5.5
105.01877	3.2
105.04574	0.8
105.07022	44.7
106.07378	0.9
108.04440	3.7
109.02871	3.9
115.05444	9.0
116.15794	0.7
118.04131	3.6
126.05531	1.1
127.03898	7.9
129.01810	1.0
131.04840	1.3
133.06482	47.1
134.06911	0.8
143.06004	5.2
145.04942	4.2
153.01778	0.9
159.02885	3.2
161.05962	100.0
162.06328	3.0
191.97087	0.8
193.08583	83.7
194.08975	2.0
230.06548	1.2
231.04942	1.8
248.07660	1.7
274.62552	0.6
317.40649	0.7
326.06509	0.7
476.21509	2.1
500.86691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01866	4.4
57.03450	1.0
61.02923	2.0
67.05502	0.6
68.99790	1.0
69.03420	6.8
70.70627	0.7
70.70951	0.7
71.04984	1.5
73.02911	1.5
79.05480	4.8
81.03410	8.3
83.41363	0.5
85.02895	16.7
86.09715	1.1
87.00829	7.5
90.04672	0.7
91.03939	0.7
91.05482	2.0
95.04953	1.6
97.02876	7.1
98.23230	0.6
99.04434	4.0
101.30409	0.5
103.05458	5.5
105.01878	5.0
105.07016	47.3
106.07349	0.7
107.05031	0.6
108.04485	4.2
109.02866	7.1
110.02294	0.8
115.05444	10.1
117.01824	0.7
118.04129	3.3
119.04922	0.7
126.05516	1.7
127.03903	12.0
131.04893	1.4
133.06474	46.8
141.66417	0.5
143.04980	1.3
143.06021	5.4
145.04926	5.5
147.02878	0.9
149.05928	1.0
153.01840	0.8
159.02832	3.6
161.05960	100.0
162.06273	2.1
163.03853	0.9
193.08578	91.3
194.08885	1.9
195.02827	0.6
211.09572	1.1
230.06523	1.2
231.04965	1.6
248.07605	2.0
292.25012	0.8
390.18176	0.7
432.19183	1.1
476.17383	3.1
477.17169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01858	2.8
55.05494	2.1
57.01829	1.3
60.46780	1.3
61.02901	1.9
65.03924	3.4
67.05491	5.9
69.03420	9.2
70.56090	2.0
71.04990	1.8
73.02929	1.5
79.05486	4.5
81.03410	4.5
83.04971	3.1
85.02895	21.5
87.00829	3.2
91.05476	3.6
93.07055	1.7
95.04959	19.6
95.08595	6.3
95.82272	1.4
95.91651	1.3
97.02890	6.2
99.04444	2.7
103.05484	2.9
105.07021	29.2
107.04932	2.1
107.08567	4.8
108.05705	2.4
109.02891	5.3
111.04421	17.0
115.05418	7.1
117.07007	1.4
119.08552	7.5
121.02878	1.9
121.06487	2.5
123.04435	1.9
123.08053	62.1
127.03925	6.1
128.06219	1.6
129.07005	3.4
131.08553	6.0
133.06483	25.9
133.10049	3.1
135.08029	5.9
141.06958	5.3
143.08543	8.9
145.10101	4.5
147.08063	4.6
147.11649	2.0
153.01888	1.8
155.08414	1.6
156.09341	21.6
157.10094	3.1
158.07188	1.8
159.08014	2.8
159.11647	5.9
161.05966	40.0
161.09579	2.8
162.06311	1.5
163.07561	2.0
166.07735	2.6
169.10129	4.3
171.07939	1.5
171.11668	26.3
171.13043	2.2
172.08798	3.5
173.09637	5.1
173.13284	2.4
175.07553	3.2
175.11229	1.8
181.10118	4.1
182.07274	2.3
184.08842	9.1
187.11142	6.4
189.12695	8.4
193.08582	33.5
197.09540	7.4
198.99689	1.3
199.11156	76.1
200.11548	3.7
205.12132	1.6
215.10660	17.8
217.12212	46.9
225.09103	2.5
233.11710	2.8
243.10147	4.8
261.11188	100.0
262.11560	5.9
279.12265	17.9
477.15558	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.5
65.03951	1.9
65.58320	1.6
67.05501	4.8
68.05019	2.0
68.24231	1.6
69.03429	8.4
70.06568	3.0
71.26086	1.5
72.08148	2.5
74.54372	1.9
79.05484	3.3
81.03403	2.1
83.04961	4.0
84.04507	1.8
85.02903	8.7
86.06069	6.4
86.09692	2.4
91.05460	2.4
95.04967	16.1
95.08598	6.4
97.02874	2.7
105.07028	14.8
107.08572	3.5
108.05731	2.6
111.04461	11.6
115.05418	2.6
117.86996	1.5
119.08570	7.0
123.08057	57.3
124.08404	2.3
127.03938	3.2
128.41893	1.6
129.06984	3.1
130.05000	3.2
131.08530	5.8
133.06477	6.0
133.10071	3.1
135.08029	4.2
136.69525	1.8
137.05971	2.2
139.03914	1.7
141.06938	2.7
143.08537	7.7
145.10138	3.1
147.08031	4.5
147.11665	3.1
149.06052	1.6
155.08501	2.9
156.09325	19.6
157.09920	2.3
158.07257	1.7
158.10875	1.7
159.11682	3.4
161.05963	10.5
161.09496	1.7
161.13199	1.6
171.11653	19.1
172.08862	2.3
173.09567	4.5
173.13223	3.3
181.10094	2.7
182.07243	2.7
184.08804	4.9
187.11142	5.3
189.12712	4.8
193.08560	9.6
197.09605	5.7
197.62817	1.6
199.11160	64.2
200.11563	1.9
215.10663	14.2
217.12198	36.6
218.94888	1.5
224.91153	1.4
225.28024	1.5
231.13484	1.6
243.10114	2.3
245.14911	3.3
249.15727	27.2
250.16078	18.9
261.11194	100.0
262.11572	3.7
279.12259	16.6
303.89340	1.6
337.21979	1.8
377.19128	2.2
477.09979	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	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92927	1.6
56.05039	2.7
65.03950	1.7
67.05496	3.4
69.03432	8.9
69.34422	3.0
69.34809	4.4
70.41170	1.6
75.23598	1.5
77.30858	1.7
79.05476	1.8
81.03418	2.5
83.04984	3.7
85.02888	10.6
86.06081	4.1
91.05490	2.0
93.07020	2.2
93.77735	1.7
95.04969	16.8
95.08609	6.0
96.78098	1.7
97.02885	3.8
98.22694	2.7
99.15856	1.6
99.54357	1.7
105.07015	9.5
107.04942	2.0
107.08577	3.9
108.05756	1.6
109.02923	1.9
111.04460	12.6
119.08548	7.8
121.02867	3.1
121.06489	3.2
123.08059	62.6
127.03927	2.0
128.06216	2.3
130.04991	2.2
131.08536	7.2
133.06488	6.2
133.10153	2.0
135.08069	5.3
139.03952	2.1
141.07027	2.2
142.07806	1.7
143.08569	6.8
145.10074	3.3
150.48145	1.7
155.08586	2.5
156.09331	22.8
157.10107	4.0
158.10938	2.3
159.08067	2.2
159.11693	5.8
160.04324	3.5
161.05989	8.6
161.13303	2.1
164.16057	1.6
169.10161	4.8
171.07903	1.9
171.11690	20.7
172.08742	2.4
173.09682	3.0
175.07443	1.7
175.11292	1.9
181.10159	3.8
184.08829	5.4
187.11195	7.1
189.12717	5.0
193.08627	7.5
197.09648	6.4
199.11165	68.7
215.10649	17.3
217.12204	44.7
233.11688	3.2
233.52115	1.6
243.10184	5.4
245.14894	2.8
248.06262	1.9
261.11212	100.0
262.11612	2.9
279.12228	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01855	1.2
55.05261	0.8
55.05508	11.2
57.03175	0.7
57.03434	8.0
57.07068	0.7
65.03922	1.8
67.05499	36.4
68.05824	1.6
69.03448	0.5
69.06709	0.7
69.07063	10.0
71.04983	1.3
77.03915	0.9
79.05485	22.9
80.05810	1.7
81.03410	2.2
81.07050	33.6
82.03732	0.7
82.07381	2.1
83.04984	2.4
83.08617	3.9
85.06513	0.7
91.04938	1.0
91.05473	12.8
92.05800	1.2
93.07037	22.4
94.07371	2.0
95.04965	4.5
95.08603	22.7
95.09217	1.1
96.05270	0.6
96.08919	1.1
97.06516	1.7
97.10153	2.0
98.23534	1.2
98.98486	1.1
99.08068	0.6
105.04546	0.7
105.07019	7.7
106.07340	1.0
107.08583	10.1
108.08924	1.0
109.06512	1.5
109.10139	7.1
111.08093	1.4
117.07021	3.0
119.08568	4.8
120.08866	0.7
121.06476	0.7
121.10139	6.9
122.10467	0.7
122.12354	0.5
123.08033	0.7
123.11687	1.9
125.09590	1.2
128.06322	0.6
129.06960	0.9
131.08572	2.5
133.10110	3.1
134.10513	0.8
135.11691	3.1
138.43388	0.5
142.67502	0.5
145.10123	2.3
147.11653	3.0
148.12001	1.2
149.09639	0.6
149.13228	2.9
159.11696	1.8
161.09647	0.7
161.13272	1.5
163.11171	0.7
171.11728	0.9
172.11951	0.9
173.13214	0.7
177.12727	0.8
201.12752	0.5
207.13889	1.1
208.14098	1.0
209.11681	0.7
209.98349	0.5
215.14238	0.6
216.06352	0.5
227.12695	0.6
248.12152	0.6
261.22116	0.9
304.26331	2.9
305.26721	0.6
335.25769	100.0
336.26163	5.5
367.77158	0.5
392.91141	0.6
458.25925	0.6
476.31357	4.9
477.28394	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.1
57.03440	6.1
61.41375	1.6
62.06084	41.5
67.05498	37.1
69.07059	10.0
69.94825	2.0
69.95163	3.9
74.68751	1.6
79.05483	25.6
81.07051	29.8
83.08611	4.8
91.05470	12.2
93.07037	19.8
95.04950	4.2
95.08592	23.5
98.06067	2.0
98.98454	13.2
105.04514	2.4
105.07025	7.7
107.08576	10.1
109.10164	8.9
112.48933	1.7
119.08593	7.0
121.10141	7.4
131.08563	4.4
133.10112	4.8
135.11700	5.5
145.10095	2.1
147.11700	3.4
149.13293	3.4
155.01016	5.4
161.13246	3.0
173.02058	2.0
173.13225	2.3
198.05324	3.6
216.06306	3.5
261.22083	8.0
283.34708	1.9
304.26407	24.0
335.25769	100.0
336.26282	3.0
414.25699	1.9
458.26303	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	477.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78318	0.5
62.37677	0.4
69.34000	1.7
70.06569	1.8
98.22684	0.9
99.95910	0.5
105.86790	0.5
107.77179	0.5
150.31790	0.5
162.02905	2.1
175.11906	2.1
218.18889	0.5
234.44147	0.5
241.18768	0.5
247.02347	0.5
337.05338	0.8
365.09000	0.6
458.04263	0.7
477.09973	100.0
478.10260	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	477.1753
Annotation	tryptoquialanol
Peak:m/z	Relative Intensity
56.84767	0.6
56.96560	11.0
60.77966	0.7
69.92465	2.0
83.97633	4.3
99.97065	1.5
111.67126	0.7
117.98064	0.8
128.00186	14.4
135.04343	0.8
137.98566	0.9
139.25980	0.8
146.01231	40.3
153.01810	1.1
155.99654	5.8
156.03258	1.5
163.03889	1.3
164.02284	55.6
174.00735	9.1
174.04349	1.7
182.03339	14.4
187.03932	0.8
192.01727	4.5
200.04237	0.7
200.05951	3.2
202.00200	3.4
204.05452	2.2
209.02831	0.8
210.04378	2.8
218.06981	27.4
220.01254	2.9
222.66470	0.8
228.05405	18.8
236.08066	9.6
240.05440	2.1
241.33325	0.7
246.06470	8.1
258.06445	22.0
276.07507	100.0
277.07864	3.2
294.08539	10.7
299.09024	1.7
329.10284	0.8
337.14169	1.4
347.11179	10.3
385.16403	1.1
388.12598	4.4
411.14426	1.8
417.03745	0.7
429.15323	2.1
435.31342	0.8
441.15643	1.5
459.16458	19.0
477.17496	67.3
478.17886	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1986
Annotation	Kanokoside A
Peak:m/z	Relative Intensity
54.53328	0.9
56.13378	0.7
65.11813	0.9
67.05480	1.8
69.31612	4.5
79.05511	0.9
81.07034	1.2
93.07063	1.1
93.80019	0.8
95.08636	1.0
97.33468	0.9
98.23409	2.0
119.08575	0.8
124.93757	83.2
125.01013	0.9
140.84569	0.9
142.94795	47.7
153.00381	1.0
175.52707	0.8
198.97395	6.4
206.39848	0.8
318.12033	0.9
326.89255	1.0
363.01822	0.9
459.18765	13.4
460.18753	1.3
477.19839	100.0
478.20346	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	477.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08704	1.3
53.03942	4.0
55.01874	2.1
55.05507	5.6
57.03429	3.8
58.67215	1.2
59.04999	3.3
62.59272	1.3
65.03932	3.2
66.91978	1.3
67.05498	14.2
69.03425	20.9
69.06908	2.4
69.07289	4.1
71.04989	4.0
79.05486	15.2
81.03404	30.6
81.07050	18.6
82.63268	1.3
83.04984	13.0
83.43145	1.5
85.02888	10.9
85.06564	1.3
91.05468	23.7
93.03379	1.5
93.07037	51.4
94.04199	1.9
95.04968	9.1
95.08599	31.6
97.02892	4.9
97.06535	3.8
97.10162	3.0
98.23067	7.9
99.04437	5.3
103.05450	4.0
105.04519	1.9
105.07014	20.7
107.04955	3.9
107.08582	20.1
108.05756	2.8
109.02853	11.4
109.06508	3.9
109.10143	23.1
111.04401	7.0
111.08084	5.1
113.06013	3.6
115.05470	7.0
117.07016	5.4
119.04946	9.9
119.08575	13.2
121.06493	7.8
121.10135	38.4
121.10979	2.6
122.03646	5.1
123.08060	21.4
123.11719	1.7
125.06002	2.2
125.09637	4.4
127.03916	6.3
128.06256	2.8
129.05521	3.4
129.06967	7.1
131.04924	9.8
131.08559	8.4
133.02888	2.4
133.06511	3.3
133.10130	6.3
135.08022	9.1
135.11665	2.2
136.05219	4.9
137.05963	100.0
137.09621	3.7
139.07544	2.1
141.06984	6.1
141.09085	3.1
143.04897	2.6
143.08522	8.6
145.06532	6.9
145.10129	12.0
146.07216	2.2
147.04385	16.2
147.08049	4.4
147.11722	6.5
149.06007	4.1
149.09595	14.7
151.03938	4.4
151.07524	82.5
151.11148	1.8
152.07860	1.7
153.01828	9.2
153.05487	3.5
153.06966	3.2
155.08540	6.1
157.06493	6.5
157.10135	2.5
158.07234	4.0
159.04353	1.6
159.08087	5.6
159.11707	3.1
160.05196	6.0
161.06004	4.8
161.09578	7.1
162.06737	1.7
163.07547	12.6
163.11218	5.0
165.06935	2.6
165.09084	2.2
166.07722	1.8
167.08459	3.1
167.10670	2.7
169.06497	4.3
169.10152	3.4
171.07980	8.3
171.11728	2.6
173.05981	1.9
173.09607	9.4
173.13045	1.4
174.06828	3.6
175.07536	22.2
176.04633	1.6
177.05467	13.6
177.09100	7.9
178.07762	1.3
179.07008	23.3
179.08429	2.8
181.05006	1.7
181.06480	3.4
181.10117	4.8
183.08073	5.5
183.11659	1.7
185.05992	1.6
185.09595	3.6
186.06776	1.7
187.07527	13.6
187.11217	4.6
188.08206	2.8
189.09070	20.3
191.07008	11.0
191.08560	1.6
191.10675	8.3
193.08586	3.0
193.10208	1.7
193.12329	2.6
195.08040	9.2
195.11703	2.3
197.09624	4.8
197.13274	3.5
199.07549	4.5
199.11130	4.8
201.05354	2.2
201.09099	22.6
201.12669	2.4
202.09875	2.4
203.06982	6.8
203.08852	1.5
203.10588	7.1
205.08496	3.1
205.12172	1.8
207.08109	1.9
207.11855	2.0
209.09644	8.6
209.13251	4.7
211.07507	3.3
211.11331	2.8
211.13091	7.2
212.08249	3.6
213.09004	6.7
213.12727	2.1
214.06342	1.9
215.07053	2.7
215.10571	9.1
215.14281	1.9
216.11475	6.0
217.08606	6.2
219.10048	11.7
220.19571	1.4
222.10284	2.2
223.11171	3.1
224.08218	1.5
225.09076	3.3
225.12720	5.4
226.09811	1.9
227.07068	3.2
227.10629	9.2
229.08617	3.0
229.12088	7.0
231.10164	2.8
231.13806	12.7
237.12688	6.7
237.16467	1.5
239.10667	6.1
239.14288	1.9
240.11722	1.5
241.08656	6.0
241.12167	15.5
243.10155	3.0
243.13864	2.0
247.11194	2.7
249.09148	1.7
251.10664	2.4
255.10101	3.5
255.13774	4.7
257.08142	3.0
257.11792	2.2
257.15396	4.8
259.09451	3.4
259.13330	6.6
259.16885	5.9
265.12250	3.7
265.15866	3.4
269.12070	2.2
269.15295	26.0
271.16827	2.8
275.09055	1.9
279.13754	5.9
281.15366	2.6
283.13419	3.1
283.16959	5.5
285.14923	8.6
287.16476	8.3
291.19562	1.7
293.18924	2.2
297.14774	19.5
299.16452	3.5
301.17899	4.9
311.19830	2.7
315.15863	16.7
327.12265	1.5
339.19522	2.5
357.20471	2.4
381.16580	1.8
405.24176	3.4
423.17990	2.7
423.25214	9.9
431.20554	2.4
441.18875	4.2
441.26236	17.6
459.20108	10.4
459.27316	16.8
477.21912	2.2
477.28354	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	14.9
55.05251	5.8
55.05504	69.1
57.03437	17.9
65.03928	4.5
67.05499	68.8
69.03419	12.6
69.07072	20.8
69.15084	2.9
70.59182	2.7
71.04983	7.5
72.50963	2.8
73.16870	3.1
77.03940	3.0
79.05488	95.8
79.42101	3.1
81.03408	85.4
81.07046	62.8
81.07500	4.5
83.04986	21.4
83.08607	54.6
85.02915	11.0
85.06528	7.0
91.05474	69.4
91.06042	4.3
93.03419	3.5
93.07037	47.8
95.04958	53.4
95.08602	32.3
97.06516	12.0
97.10155	57.6
103.05535	3.8
105.04511	6.6
105.07020	46.5
107.04942	44.1
107.08581	40.5
109.06512	18.2
109.10150	20.2
111.08080	14.4
117.06998	19.3
119.04912	4.3
119.08561	30.3
119.58658	2.8
121.06488	46.0
121.10122	12.3
123.04406	6.0
123.08046	14.1
123.11668	3.9
125.05998	4.0
125.09621	56.4
128.06218	5.1
129.06976	29.4
131.04901	9.4
131.08574	32.4
133.06497	14.6
133.10127	13.0
135.08014	18.6
135.11653	4.3
137.05949	4.4
137.09648	4.5
139.07588	4.4
141.07002	8.2
142.07736	5.7
143.08539	14.1
143.10623	3.0
144.05624	3.2
145.06483	29.0
145.10118	17.6
147.08011	21.1
147.11661	16.9
149.09615	11.6
153.09059	11.8
153.12691	5.2
155.08556	8.9
157.06514	6.5
157.10110	20.2
159.08061	5.7
159.11653	7.9
161.09605	5.9
163.11195	8.7
165.12799	7.1
169.10114	5.9
171.08034	7.6
171.10193	6.3
171.11719	8.6
173.09644	7.5
173.13295	3.9
175.11105	15.1
180.39635	2.7
181.10095	6.4
183.11548	3.9
185.09608	6.0
185.13208	5.6
187.11215	4.4
189.09557	4.7
189.11215	24.6
189.12741	7.2
193.12222	57.1
195.11679	4.0
197.13344	6.2
199.11209	7.1
205.12158	3.7
211.11470	3.5
211.13240	17.1
213.12614	6.3
215.14314	11.8
217.12318	3.4
219.13792	4.6
223.13197	3.6
227.12697	19.5
231.13640	5.9
233.15320	24.4
235.13370	3.0
239.14252	5.2
243.13956	3.1
245.15388	4.7
249.14825	6.7
255.13684	6.3
259.13321	3.3
267.15872	30.2
273.14783	15.6
275.16382	6.0
289.18176	4.1
291.15952	6.4
297.30624	3.0
321.22189	4.6
339.23080	9.7
341.20996	4.1
349.21555	21.8
357.24219	20.1
367.22571	57.3
368.23004	3.8
385.23666	98.1
386.23859	5.9
395.26675	3.3
403.24728	36.9
431.28098	3.6
433.25906	7.8
441.26318	10.5
459.20715	5.4
459.27328	100.0
460.27512	9.3
477.28433	79.0
478.28229	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	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01867	12.6
55.05504	63.0
57.03429	15.5
59.05003	2.5
65.03914	3.6
67.02905	1.4
67.05497	66.4
68.04227	1.4
69.03414	11.1
69.07061	14.0
71.04977	5.9
73.50113	1.5
77.03915	3.8
79.05483	67.6
81.03409	100.0
81.06555	3.0
81.07045	55.0
83.04974	12.7
83.08608	40.5
85.02886	9.3
85.06541	2.4
91.05471	55.3
92.05798	1.8
93.07036	42.2
94.13854	1.4
95.04955	45.7
95.05531	3.1
95.08591	24.8
95.77579	1.4
97.02877	3.3
97.06533	9.2
97.10159	43.2
98.23467	5.4
103.05451	1.8
105.04515	3.5
105.07014	38.7
107.04943	33.6
107.08579	33.9
109.06537	7.9
109.10146	12.4
111.04439	4.3
111.08062	13.8
114.75533	1.4
115.05453	5.9
117.06997	14.7
119.04922	3.1
119.07724	3.1
119.08559	29.2
121.06487	31.9
121.10142	12.9
121.43803	1.5
123.04413	2.5
123.08050	9.2
123.11707	2.1
125.09611	36.1
128.06244	2.8
129.06972	18.0
131.04964	4.1
131.08549	22.0
133.06470	11.0
133.10127	13.9
135.08040	11.1
135.11681	4.3
137.06009	1.9
137.09615	3.4
141.06940	3.1
142.07802	3.4
143.08560	9.0
145.06456	20.3
145.10098	12.3
147.04454	2.0
147.08018	10.0
147.11649	16.2
149.09610	12.2
151.07477	1.7
153.09126	7.5
153.12776	3.8
155.08562	5.5
157.06415	3.5
157.10092	15.3
159.08060	6.2
159.11690	5.0
161.05969	4.6
161.09627	4.5
161.13162	2.1
163.11154	5.6
165.12758	2.7
167.08527	2.5
169.06631	1.8
169.10130	6.5
171.08086	5.3
171.10199	2.3
171.11661	6.7
172.45303	1.6
173.09639	3.9
173.13264	1.9
175.11194	12.9
181.10049	3.4
183.11763	2.4
185.09669	2.3
185.13255	3.6
187.11246	2.8
187.14799	3.4
189.09453	2.4
189.11183	19.5
189.12735	3.7
193.12227	52.8
193.13977	3.2
195.11748	4.6
197.09727	2.9
197.13203	3.8
199.11162	5.1
203.14304	1.8
205.12209	3.6
209.09619	2.4
211.11375	2.4
211.13206	14.9
213.12779	3.6
215.14301	8.1
217.12204	3.9
223.13158	2.6
225.12788	2.7
227.12625	20.0
231.13763	3.1
233.15315	16.8
237.12724	3.5
241.14468	4.7
243.13763	1.6
245.15399	3.6
249.14799	4.5
255.13808	5.5
257.15305	2.3
259.13321	3.0
267.15872	50.7
271.16953	2.3
273.14813	12.8
275.16199	2.7
278.48663	1.8
283.16913	2.2
287.16467	2.2
291.15903	3.2
331.20547	3.2
339.23068	7.6
341.20984	3.9
349.21527	14.4
357.24142	13.1
367.22644	46.3
368.22833	2.5
383.21445	1.7
385.23672	69.8
386.24051	4.5
403.24820	20.4
405.24524	2.4
431.28531	1.8
433.25864	9.2
441.26190	6.0
459.27350	62.1
460.27643	4.1
477.28427	50.0
478.28665	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	15.6
55.05511	70.8
57.03427	7.5
59.23238	6.0
60.21600	5.5
65.03911	6.5
67.05495	88.2
69.03412	10.0
69.07033	27.6
73.05524	6.4
79.05481	82.3
81.03407	92.5
81.07040	74.1
83.04955	13.4
83.08613	56.2
85.02867	12.0
91.05467	81.7
93.07028	54.3
95.04961	55.3
95.08611	40.9
97.06522	7.2
97.10161	39.9
99.08076	6.1
105.07012	54.5
107.04939	43.6
107.08581	42.4
109.06528	9.1
109.10132	22.3
111.08067	12.3
115.05459	7.0
117.06995	26.4
119.08550	40.9
121.06474	45.0
121.10123	22.1
123.08047	14.3
125.05978	6.2
125.09582	33.3
129.06987	21.0
131.04929	13.1
131.08562	32.4
133.06476	20.6
133.10091	15.8
135.08012	8.5
137.05943	10.1
138.87949	6.2
143.08542	15.6
145.06461	20.0
145.10112	14.9
147.08028	19.1
147.11667	22.4
149.09604	8.4
157.06427	6.6
157.10083	21.0
159.08080	13.4
159.11633	12.0
161.09561	7.7
163.11200	13.6
167.08546	6.9
169.10092	7.8
171.08070	9.2
171.11641	10.0
175.11172	14.6
189.11195	24.5
189.12695	8.3
193.12227	66.2
199.11383	6.5
211.11244	7.5
211.13277	18.8
213.12798	6.9
217.12270	6.8
227.12610	31.4
231.13770	6.0
233.15355	18.3
257.15372	8.4
267.15881	27.4
273.14868	16.1
287.16135	5.5
339.23349	13.2
341.20767	6.0
344.26926	5.2
349.21713	30.5
357.24155	18.2
367.22617	50.6
385.23627	100.0
386.23700	7.0
403.24911	31.0
410.04712	7.0
415.31839	9.0
433.25497	8.5
441.26389	10.7
441.32669	6.6
458.69327	6.7
459.27475	93.1
477.28421	90.5
478.28818	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	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.3
55.01870	12.1
55.05507	51.8
57.03432	13.8
59.04982	1.9
60.08948	1.5
62.64080	1.5
65.03934	3.8
67.05497	65.7
69.03412	6.5
69.07060	16.4
70.39524	2.2
70.39841	2.0
71.04976	7.5
72.01233	1.5
77.03905	3.0
79.05484	65.4
81.03409	100.0
81.07047	58.1
83.04973	18.2
83.08612	38.9
84.08540	1.8
85.02893	12.8
85.06535	3.3
91.05472	72.6
93.07037	44.1
95.04959	48.8
95.08591	23.0
97.02895	3.1
97.06526	7.9
97.10165	33.9
103.05447	2.2
105.03393	1.7
105.04536	2.0
105.07018	43.7
107.04938	31.6
107.05665	1.8
107.08580	29.4
109.06491	10.4
109.10139	12.7
111.04420	2.5
111.08069	13.0
113.06055	2.2
115.05471	4.7
117.07011	13.4
119.04963	2.1
119.08565	33.5
119.87350	1.4
121.06488	29.6
121.10145	12.8
123.08044	6.2
125.06029	1.7
125.09630	24.8
128.06187	3.5
129.07008	27.2
131.04898	3.7
131.08540	23.7
133.06483	9.8
133.10107	21.8
135.08026	7.3
135.11702	3.6
137.09621	4.4
141.06982	4.8
141.18887	1.6
141.83089	1.6
142.07799	6.0
143.08553	5.7
145.06461	13.3
145.10132	10.8
147.04364	2.9
147.08054	11.7
147.11644	19.1
149.09634	8.4
150.99643	1.8
153.09081	6.2
153.12752	3.4
155.08517	5.8
157.06506	4.6
157.10094	20.1
159.08044	7.3
159.11644	3.7
161.05971	2.6
161.09641	2.8
163.11168	5.9
165.12756	4.8
169.10156	4.3
171.08015	5.5
171.10237	2.7
171.11644	4.5
173.09656	3.9
175.11179	21.6
183.11722	2.7
185.09604	2.8
185.13303	2.6
187.11172	2.6
187.14810	2.6
189.11227	15.5
189.12738	5.5
193.12219	54.7
194.12698	2.1
195.11736	3.0
195.13733	1.9
197.13232	3.5
199.11171	2.6
205.12190	3.8
205.15952	2.0
211.11375	3.2
211.13245	25.1
213.12704	4.0
214.70494	1.6
215.14343	4.5
217.12245	3.3
223.10977	2.1
227.12689	14.3
231.13739	2.6
233.15285	13.8
237.12766	1.9
241.14323	3.9
245.15372	2.4
245.93925	1.8
249.14816	5.7
251.14146	2.2
255.13837	3.4
257.15430	2.1
259.13379	2.0
267.15875	39.5
273.14838	13.9
275.16476	2.2
283.16751	2.3
286.08435	1.6
290.70068	1.7
291.15845	3.1
321.22171	2.6
339.23151	5.8
341.20898	3.4
349.21497	14.3
357.24142	8.8
367.22632	34.2
368.23044	2.4
385.23660	49.9
386.24078	2.5
403.24710	17.4
433.25806	6.8
441.26413	6.4
459.27350	50.3
460.27841	3.6
477.28448	64.0
478.28650	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	20-Hydroxylucidenic acid N
Peak:m/z	Relative Intensity
55.05510	6.3
59.04996	11.8
66.55861	3.3
67.05498	9.3
69.03438	15.8
69.07065	4.8
69.54854	14.3
79.05493	9.5
81.07050	19.0
83.04984	18.5
84.13139	3.8
91.05457	18.0
93.07045	22.3
95.04977	6.8
95.08613	13.1
97.06522	6.2
99.04436	7.8
105.07027	25.8
107.04919	5.2
107.08566	17.7
109.06508	7.1
109.10142	5.8
111.04423	9.6
111.08105	4.6
111.31684	3.5
113.06017	4.9
115.97018	3.0
117.07018	4.0
119.04939	4.4
119.08567	26.0
121.06480	10.4
121.10136	11.5
123.08058	100.0
129.05482	9.1
129.07007	6.6
131.08524	17.0
133.10123	14.3
135.08015	4.9
135.11694	8.0
137.05998	7.7
141.09106	4.4
143.08528	12.2
145.10127	27.6
147.08049	11.8
147.11671	6.8
149.09608	14.4
151.07526	6.5
153.01782	9.1
153.06963	3.5
155.08580	6.5
157.10149	12.6
159.08070	9.3
159.11684	11.1
161.09578	16.6
163.11169	9.8
167.08524	3.6
167.10756	4.4
169.10129	9.5
171.08047	10.0
173.09610	26.0
175.11246	4.6
181.04979	4.4
183.08151	3.8
183.11665	10.8
185.09695	3.7
185.13281	7.2
187.11168	5.6
189.09145	5.8
191.10666	13.2
195.11678	9.2
195.15652	4.0
197.13252	6.2
199.11203	6.0
201.12723	3.5
205.12135	4.1
207.11777	4.6
213.12802	7.4
215.14255	6.8
221.13353	4.8
223.11166	4.1
225.12791	10.9
227.14294	5.1
231.13843	4.4
241.12259	4.3
243.13789	8.0
249.14903	8.5
255.17471	5.6
262.40909	3.6
265.15894	11.0
283.17001	20.9
291.19534	11.4
291.68900	3.4
293.19089	5.3
299.16489	4.7
301.18008	27.5
311.20026	8.0
313.21533	3.3
321.18402	5.4
329.21237	5.5
339.19534	8.6
357.20621	4.5
362.80435	4.3
375.21295	4.8
405.24219	12.6
423.25092	38.5
441.26123	69.6
441.31235	4.8
442.26675	5.6
459.27072	54.3
460.27591	6.0
477.28342	10.9
495.75763	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.3
57.07065	5.5
58.07423	4.8
60.73087	5.4
67.05502	20.0
69.07065	9.5
69.10645	36.3
71.04994	49.4
76.18181	5.0
77.23862	4.9
78.41883	4.6
79.05482	6.9
79.17495	4.8
81.07059	16.1
83.04977	8.8
85.06528	7.7
85.46272	4.6
91.05482	14.2
93.07043	19.8
95.04958	40.7
95.08635	10.0
97.06532	17.3
105.07032	26.1
107.04956	7.0
107.08595	13.2
108.59241	5.7
109.06524	13.3
109.10151	9.5
113.05999	53.6
115.07585	7.4
117.07052	9.7
119.08597	15.7
119.20411	5.9
121.06486	9.0
121.10133	13.3
123.08062	25.7
128.06226	8.0
129.06923	6.0
131.04971	11.4
131.08577	22.0
133.10132	19.4
135.04422	14.3
135.08038	8.4
141.07016	7.8
141.09082	10.3
141.10217	5.4
143.08530	32.4
145.06508	6.9
145.10147	21.7
147.08066	36.8
149.09595	7.3
155.08595	8.3
157.10114	16.2
159.08058	22.0
159.11656	15.5
161.09621	26.4
167.08575	9.2
168.09309	5.4
169.10121	12.9
171.08031	55.0
171.11702	13.7
173.09654	19.6
173.13295	14.0
176.78012	4.6
181.10175	11.5
183.08052	11.3
183.11717	16.1
185.09624	16.0
185.13408	6.1
187.07567	22.4
187.11140	7.7
189.05179	5.8
189.09076	71.1
193.10124	11.5
195.11789	9.7
197.09648	15.1
197.13234	9.2
198.10201	6.5
199.11162	39.3
201.12782	6.0
207.10065	27.7
207.11823	7.4
209.09720	5.9
209.13214	8.0
211.11241	8.3
211.14763	8.5
215.10954	7.9
221.09749	5.9
221.13242	7.4
223.11191	19.6
224.11949	10.1
225.12798	13.3
227.14279	17.9
229.12286	8.3
229.15910	13.5
234.13887	5.8
235.11078	6.4
235.14804	14.1
237.12692	8.5
239.14395	26.6
241.15961	6.0
251.14288	12.7
253.15823	16.0
255.13794	20.6
263.14377	18.1
263.17435	5.6
265.16031	6.7
267.17352	10.0
269.15344	9.0
279.13834	9.4
281.15366	75.9
281.18591	10.9
282.16010	10.9
291.17325	12.2
293.18945	12.0
295.17044	7.5
297.14905	6.1
299.16293	18.5
309.18542	48.8
311.19986	44.5
317.17389	8.9
319.16870	9.9
323.19925	7.1
327.19458	27.8
329.21201	11.1
335.19669	7.5
337.17902	25.3
341.21155	20.2
345.20612	16.6
351.19519	11.3
353.20862	10.0
355.19141	13.4
359.22153	20.2
363.21820	7.5
365.21259	7.3
369.20679	15.9
371.21939	8.6
373.20056	13.7
383.22104	8.9
401.23187	7.3
405.24512	24.0
423.25269	100.0
424.25690	7.3
441.26251	76.0
459.27332	72.7
477.17831	26.7
477.28421	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	20-Hydroxylucidenic acid N
Peak:m/z	Relative Intensity
55.05513	1.8
58.36451	1.8
59.04997	5.4
61.73031	1.8
67.05499	5.8
69.07056	2.8
69.21618	11.0
71.04953	3.6
76.85088	2.1
79.05492	6.5
81.07051	6.7
83.04970	2.4
83.08609	1.9
91.05479	7.6
92.67806	2.0
93.07040	11.6
95.04972	7.8
95.08608	9.2
97.06541	4.5
99.04468	5.7
105.07010	13.1
107.08587	7.9
109.06506	6.5
111.08115	2.8
115.25928	1.9
117.07005	2.5
119.08559	10.7
121.06506	6.5
121.10139	6.2
123.08064	100.0
124.08370	2.1
129.06952	2.8
129.83560	1.9
131.08559	8.5
133.06520	2.2
133.10129	5.6
135.08076	4.4
135.11725	2.2
137.06017	3.0
141.06918	2.1
143.08577	6.8
145.10162	9.1
147.08052	5.3
147.11772	2.0
149.09584	15.7
151.11180	2.2
154.67976	2.1
155.08501	3.7
157.10110	9.5
157.85754	2.2
158.07329	2.0
159.08080	4.4
159.11678	2.9
161.09602	10.2
163.11201	5.8
169.10149	3.8
171.08020	4.1
171.11771	4.3
173.08371	2.0
173.09604	10.2
173.13255	2.6
175.11223	3.0
181.10066	4.4
183.11697	4.6
183.85910	2.0
185.09615	3.0
185.13203	2.1
187.11226	3.6
191.10666	7.7
193.12268	2.5
195.11682	6.1
197.13277	4.1
199.11256	5.6
205.12283	2.6
211.11148	2.2
213.12720	5.0
215.14127	4.4
216.96521	2.0
217.12120	1.9
225.12802	7.2
227.14085	2.2
227.17896	2.9
231.13724	3.5
237.12650	2.9
239.14421	2.3
243.13747	8.9
243.17397	2.1
255.17508	4.3
265.15833	4.5
273.18579	4.2
279.16083	2.4
282.92215	2.2
283.16772	10.8
291.19574	10.4
301.18018	15.3
306.69174	1.9
319.19061	5.8
383.87296	2.2
387.22897	2.6
405.24164	4.8
423.25214	13.0
441.26321	42.1
442.26865	2.6
459.27234	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	477.2849
Annotation	20-Hydroxylucidenic acid N
Peak:m/z	Relative Intensity
55.05503	2.5
59.05006	11.3
66.69512	1.9
67.05498	6.0
67.23362	1.7
69.03411	4.4
69.07061	3.8
71.04984	5.2
77.03915	2.3
79.05492	6.0
81.07050	7.9
83.04970	4.5
85.06560	2.1
91.05470	7.2
93.07046	9.1
93.40345	1.8
93.47015	2.1
93.51185	1.7
95.04961	5.8
95.08578	9.5
97.06525	3.7
98.23511	3.4
99.04446	5.9
99.08084	1.7
102.07996	1.6
105.03421	2.8
105.07031	12.1
107.04929	2.8
107.08582	9.2
109.06512	5.5
109.10152	1.7
113.05978	3.2
115.75631	1.8
116.06245	1.8
117.06997	4.0
119.08597	10.5
121.06510	6.8
121.10149	6.7
123.08059	100.0
124.91557	1.7
128.06300	2.0
129.05472	6.8
129.06998	3.2
131.08569	8.3
133.06522	2.1
133.10109	8.2
135.08070	4.9
135.11751	2.6
137.05959	3.7
137.09607	2.2
139.07565	3.1
143.08575	5.3
145.10130	8.7
147.08046	5.1
147.11635	2.5
149.09615	13.4
151.07582	3.1
151.11142	2.2
155.08546	4.7
157.10136	6.6
158.07303	3.1
159.08034	4.5
159.11682	2.5
161.09584	11.2
163.11162	6.5
167.10640	2.7
169.10161	5.0
171.08040	3.8
171.11702	3.7
173.09616	12.5
175.11189	2.3
181.10146	2.8
181.12302	1.9
183.11693	3.7
185.09605	3.6
185.13358	2.0
187.07596	2.6
187.11169	4.6
187.14789	2.4
189.09065	2.4
191.10619	10.1
193.12161	3.7
195.11731	3.2
197.13240	3.8
199.11145	4.7
201.12701	3.9
207.11720	3.3
209.09648	2.2
211.13194	2.4
213.12669	3.1
215.14236	5.3
217.12292	4.1
223.11107	2.9
223.14667	1.9
225.12767	7.2
231.13815	2.3
237.16469	4.0
241.15833	1.9
243.13824	6.7
255.17418	4.8
265.15866	5.6
273.18414	7.0
283.16873	12.8
291.19592	12.6
301.17972	20.2
319.19092	6.7
329.20831	2.1
383.22455	2.5
385.41000	1.8
405.24249	4.4
423.25089	15.6
441.26263	39.0
442.26471	3.1
459.27338	26.0
477.33041	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.05504	10.0
57.07056	16.9
59.04998	25.1
64.00292	5.0
65.03896	4.8
67.05500	20.0
69.03425	21.3
69.07053	16.6
69.34035	19.1
71.04981	12.2
76.04279	4.4
79.05479	16.2
81.07051	28.9
83.04974	24.6
83.08636	5.2
85.06516	12.8
86.65646	4.2
91.05467	24.5
93.07032	41.9
94.48771	3.9
95.04955	12.6
95.08602	41.8
97.06488	9.6
98.22764	6.3
98.23417	9.2
99.04436	6.2
105.07021	36.5
107.04877	7.8
107.08558	18.6
109.06493	13.6
109.10164	11.0
111.04414	14.3
111.08031	5.0
111.11716	4.4
113.06006	4.8
113.09622	7.6
115.05408	6.6
117.07018	11.0
119.04985	4.6
119.08561	21.1
121.06466	15.4
121.10133	31.8
123.08051	100.0
123.11691	8.7
123.59454	3.9
128.06158	7.6
129.05455	10.1
129.06961	10.8
131.04971	4.6
131.08524	30.7
133.06410	4.7
133.10089	20.8
135.08064	8.3
135.11647	5.3
137.05977	12.1
137.09581	5.2
139.11162	15.3
141.12727	9.6
142.07761	7.8
143.08525	20.5
145.06447	7.6
145.10098	33.8
147.08043	13.1
147.11644	7.7
149.09615	13.0
149.13245	4.8
151.03819	7.3
151.07483	5.1
155.08533	11.0
157.10129	16.9
157.12216	16.2
158.07205	7.0
159.08018	13.6
159.11694	10.5
161.09610	22.5
163.11130	15.5
167.08450	5.9
169.10107	14.4
171.08025	9.5
171.11652	9.8
173.09604	39.5
173.13220	11.8
175.11192	8.3
179.08501	6.0
181.10072	5.7
183.11731	8.9
185.09590	7.5
185.13190	10.9
187.11163	17.2
189.09113	6.0
191.10658	18.0
195.11627	8.2
197.09610	8.3
197.13173	11.8
199.11230	10.3
201.12720	5.7
207.11668	6.9
209.13231	6.5
211.11215	8.5
211.14844	6.4
213.12631	12.2
213.16261	4.8
215.14236	9.2
223.11201	9.8
223.14781	6.4
225.12654	18.2
227.14249	12.1
231.13779	15.5
233.15340	6.9
237.12579	5.2
237.16385	5.5
241.15903	6.2
241.86890	4.6
243.13779	8.9
247.14801	5.8
249.14861	7.4
253.15950	7.9
255.17366	8.5
265.15857	18.1
265.18903	4.1
269.08099	10.7
269.11795	8.0
269.15106	5.0
273.18344	4.7
281.18973	5.0
283.16898	34.7
291.19525	9.7
293.18915	4.4
299.16333	12.1
301.17929	87.2
302.18634	12.7
311.20035	7.7
313.21454	4.6
315.12198	15.1
329.21106	8.1
339.19540	8.6
355.22461	6.5
357.20544	10.5
405.23679	10.3
413.26886	7.4
423.24591	35.8
429.30338	4.7
441.25699	68.0
459.26917	66.3
477.27371	7.4
477.32294	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	477.3209
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
55.05505	7.3
55.05738	1.1
57.03433	1.9
57.07061	2.7
58.01543	0.9
59.04987	1.2
67.05498	19.0
69.03427	2.1
69.07047	5.7
70.22898	1.4
71.04992	2.1
71.96585	0.8
79.05481	4.9
81.03391	1.3
81.07043	10.2
83.04984	2.6
83.08615	7.0
84.65047	0.9
85.06535	1.1
85.10191	2.0
91.05468	7.4
93.07041	13.2
95.04961	10.6
95.08598	90.0
97.06536	3.3
99.04461	1.1
105.03408	1.6
105.04523	1.0
105.07004	9.3
107.04972	1.6
107.08589	6.9
109.06507	4.0
109.10156	2.4
111.04449	1.2
111.08086	3.9
111.11697	1.1
113.09633	41.1
115.05424	0.9
117.07025	2.8
119.04975	1.2
119.08568	7.7
121.06516	3.2
121.10139	9.3
123.08060	11.3
123.11691	5.0
125.09647	1.2
128.06194	1.7
129.07004	1.9
131.08562	9.4
133.10139	3.7
135.08073	2.2
135.11688	2.7
137.05968	2.4
137.09636	1.3
139.11153	6.4
141.06976	1.5
141.12720	3.8
142.07716	1.1
143.08548	7.5
145.06497	1.4
145.10120	14.3
147.08037	3.3
147.11699	3.3
149.09653	2.8
155.08537	5.3
157.10110	3.5
157.12227	6.1
159.08087	4.2
159.11694	4.5
161.09610	3.0
161.13132	1.5
163.11140	1.4
163.14806	1.0
167.08501	2.3
168.09332	1.3
169.10059	4.9
171.08012	4.7
171.11617	2.2
173.09645	8.2
173.13263	4.7
175.11153	1.5
175.14841	1.3
179.08595	1.3
179.14270	10.6
181.10138	4.3
183.11769	4.8
185.09657	2.3
185.13275	3.4
187.11194	3.0
189.09114	3.0
191.10661	2.9
193.10167	3.4
195.11711	3.7
197.09578	3.0
197.13222	5.2
199.11182	3.2
199.14874	1.8
201.12712	2.7
205.10243	1.1
205.12219	1.4
207.11748	3.1
209.13275	3.1
210.10423	1.2
211.11206	2.7
211.14804	2.1
213.12721	4.1
215.14359	1.8
219.11888	1.7
219.13808	6.2
221.13275	3.2
223.11177	2.3
223.14806	2.3
225.12709	6.7
227.14250	2.6
231.13741	2.2
233.13327	0.9
233.15767	1.1
235.11192	1.3
235.14796	2.7
237.12698	1.9
237.16374	4.5
239.14256	3.6
247.14955	2.2
249.12621	1.5
250.13550	2.2
251.14381	1.0
255.17506	3.1
263.14236	1.8
265.15909	7.8
267.17410	1.7
267.21027	1.1
272.67749	1.0
273.18533	1.4
281.15436	2.1
283.16901	21.2
284.17203	1.1
285.15396	0.9
285.18491	3.0
293.19016	2.4
299.16309	9.1
301.17953	100.0
302.18384	6.0
303.19583	3.2
311.20099	5.9
319.19052	2.3
321.18561	1.4
329.21091	13.8
330.21463	1.0
335.19836	1.2
339.19662	4.4
353.21173	6.4
354.21948	1.1
357.20648	10.6
371.22095	4.7
375.21637	2.0
408.20435	1.2
423.29037	10.6
441.30618	10.7
459.31296	21.4
477.32169	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	477.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.9
56.05929	1.0
57.03429	2.2
57.07066	1.8
59.05003	3.0
64.57227	1.0
65.03926	1.2
67.05496	18.2
69.03419	3.4
69.07063	6.7
69.63288	1.5
69.63627	3.5
79.05468	5.1
81.07050	11.9
83.04966	4.2
83.08613	8.9
91.05483	7.1
93.07028	12.4
95.04958	14.7
95.08598	67.8
97.06527	3.8
97.10147	1.4
98.22891	2.7
98.23437	1.3
103.05402	1.1
105.03378	0.9
105.07031	11.7
105.43371	1.1
107.04942	1.1
107.08588	7.0
109.06509	3.7
109.10165	1.6
111.04465	2.4
111.08082	6.2
111.11696	1.7
113.09634	23.8
113.10389	1.9
115.05421	1.1
117.07022	4.8
119.04953	1.4
119.08588	8.9
119.72911	1.1
121.06502	3.4
121.10127	13.4
123.04452	1.5
123.08060	9.0
123.11707	4.6
125.09644	1.5
128.06213	1.7
129.06923	2.3
131.08574	8.4
133.06493	1.3
133.10118	6.8
135.08046	3.4
135.11700	2.0
137.05984	4.1
139.11180	9.6
141.06955	1.9
141.12755	6.6
142.07822	1.2
143.08542	8.7
144.09290	1.2
145.10126	20.4
147.08055	3.7
147.11678	3.5
149.09586	2.4
155.08578	4.4
157.10135	4.4
157.12227	7.3
159.08076	3.7
159.11659	7.0
161.09622	3.2
161.13297	1.7
163.11194	2.6
165.07028	1.6
167.08569	2.5
168.09148	1.2
169.10092	5.2
171.08046	5.0
171.11717	3.7
173.09616	10.3
173.13193	5.1
175.11209	2.0
179.08649	2.4
179.14287	12.9
180.09290	1.6
181.10089	5.2
182.10912	1.9
183.08107	1.5
183.11667	4.7
185.09529	2.2
185.13292	3.9
187.11179	2.7
189.09192	2.5
191.10674	4.6
191.14293	1.3
193.10110	3.0
195.11623	7.1
196.12399	1.3
197.09622	4.1
197.13210	5.6
199.11145	3.1
199.14880	1.8
201.12718	1.7
205.10152	1.7
205.12062	1.5
207.11761	3.0
209.06702	1.0
209.09642	1.6
209.13271	4.1
210.10457	1.2
211.11249	1.8
211.14844	3.1
212.11833	1.4
213.12816	3.2
215.14389	1.9
217.10065	1.2
219.11707	2.4
219.13821	4.6
221.13261	3.6
223.11157	3.6
223.14809	3.3
225.12814	6.8
227.14297	1.9
229.09900	1.2
229.12210	1.3
231.13762	2.5
232.12340	2.0
233.13153	1.4
233.15366	1.2
235.11165	1.6
235.14766	2.6
236.11832	1.6
237.12657	1.3
237.16399	5.6
239.14323	3.6
241.15929	2.0
243.13820	1.7
247.14952	2.3
250.13591	1.6
251.14308	1.5
253.15843	2.2
255.17403	2.3
263.14291	1.5
265.16049	7.3
265.18549	1.3
267.17480	2.5
281.15234	2.0
283.16916	19.8
285.18463	1.5
293.19043	2.9
299.16397	8.7
300.16827	1.4
301.17950	100.0
302.18179	5.2
303.19730	6.1
308.88184	1.1
311.20026	6.1
319.18896	1.3
329.21097	14.0
335.19952	1.8
339.19510	6.8
347.21945	1.6
347.79922	1.2
353.21054	10.3
354.21805	1.3
355.22464	1.4
357.20514	13.8
359.41132	1.0
371.22168	3.3
382.56949	1.1
423.29364	12.0
441.25201	3.3
441.30838	14.3
445.99506	1.4
459.31717	24.1
460.31387	2.4
477.13678	3.0
477.32162	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	478.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07400	1.2
53.03937	12.1
53.71292	1.4
55.01868	18.7
55.05506	24.9
57.03431	11.4
60.04490	1.6
61.02911	6.5
65.03919	1.9
67.05498	29.5
68.05819	1.4
68.99782	5.4
69.03063	2.3
69.03424	36.9
69.07055	8.6
70.09090	3.1
70.09418	2.2
71.04969	7.8
73.02914	12.3
79.05487	29.2
80.05053	1.6
80.05833	3.2
81.03409	73.5
81.07044	30.9
82.03765	4.2
82.07383	2.6
83.04971	8.9
83.08605	13.1
84.08934	2.2
85.02897	100.0
87.00816	39.6
87.04456	2.9
91.03896	2.2
91.05462	26.1
92.05799	3.6
93.07037	18.8
94.07354	1.5
95.04951	19.9
95.08592	10.9
96.05296	3.0
97.02887	51.5
97.06499	4.8
97.10152	11.3
98.06089	1.5
98.10516	1.7
99.04445	20.7
105.01856	37.7
105.04510	2.3
105.07021	18.5
106.07352	3.4
107.04929	11.8
107.08570	10.8
108.04470	16.6
108.05241	2.4
108.08883	1.7
109.02869	40.4
109.06508	5.0
109.10131	7.4
111.04436	2.4
111.08067	4.6
113.05950	2.4
115.05459	2.1
117.01867	4.9
117.06991	7.1
119.08550	9.1
120.08834	1.8
121.06487	6.1
121.10152	7.7
123.08035	1.9
125.01540	4.9
125.09612	9.3
126.05499	9.6
126.09941	1.4
127.03902	80.0
128.06255	2.2
129.01825	4.6
129.07037	8.2
131.08546	8.8
132.08873	1.7
133.06491	2.6
133.10185	8.0
135.08044	3.7
135.11719	2.6
137.09630	1.5
141.06960	1.8
144.06567	1.5
145.04942	49.6
145.06476	4.7
145.10101	5.0
146.06844	1.9
147.02908	4.7
147.08038	2.0
147.11694	5.8
149.09650	2.1
149.13223	3.1
150.10010	1.8
157.10109	4.6
158.10483	1.5
159.02866	33.4
159.08058	1.9
163.11142	2.2
165.12784	2.9
167.06177	2.0
169.10118	1.9
171.11662	2.2
175.11163	5.6
181.12064	1.9
185.09549	1.7
189.11159	4.4
193.12184	14.1
194.12587	4.2
199.11142	2.3
211.13263	6.2
213.03792	1.8
215.14349	2.6
227.12662	3.5
228.13226	1.7
230.06570	4.2
231.05000	14.5
233.15248	2.2
240.40338	1.6
248.07513	7.9
249.14644	1.6
267.15891	3.2
273.14850	2.2
349.21661	2.1
367.22537	8.3
368.22940	6.6
385.23709	15.7
386.23935	11.2
403.24713	3.6
404.25177	2.6
459.27518	8.5
460.27676	8.3
477.28497	13.9
478.28876	15.1
479.29901	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	478.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05494	0.9
57.03428	0.6
61.02919	0.7
69.03429	3.8
70.79498	0.9
71.04977	0.8
72.80569	0.4
79.01824	2.1
81.03409	13.1
82.48888	0.5
83.04975	1.2
85.02901	3.7
97.02890	6.0
99.04436	1.7
100.12157	0.4
104.46909	0.4
105.01864	0.5
105.06974	0.6
107.01298	0.8
107.04929	0.9
109.02869	6.4
119.03449	0.7
123.07919	0.4
125.02342	2.5
127.03912	8.0
131.04930	0.4
135.04402	5.6
143.03369	3.2
145.04936	2.0
147.04396	1.0
153.01811	100.0
154.02130	1.8
161.05960	1.3
162.06331	0.4
163.03897	1.7
163.06367	0.5
167.06989	0.7
171.02872	15.7
171.53479	0.4
181.04936	0.9
182.33507	0.4
193.08611	0.8
213.11154	1.1
228.37088	0.5
297.06012	12.7
298.06479	0.5
315.07056	24.8
316.07291	1.0
351.41211	0.4
358.96381	0.5
478.19366	0.8
479.21863	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	478.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.36658	1.1
57.03428	1.1
59.04997	73.1
62.06078	1.9
67.05503	1.4
69.03415	5.7
71.43423	1.2
73.02916	2.4
81.03417	5.9
81.07059	1.4
83.27235	1.0
84.39709	0.9
85.02915	5.8
85.03365	0.9
87.04475	1.8
89.92117	1.0
93.90262	0.9
95.08597	1.0
95.41879	1.1
97.02898	7.5
99.04512	1.4
101.06016	18.1
107.04994	1.1
108.04475	4.3
109.02875	4.7
115.03928	10.5
119.08535	1.2
127.03911	4.6
129.05467	100.0
145.04953	2.8
147.06519	15.1
153.01793	5.1
201.07663	1.1
224.76826	1.0
259.08139	1.6
273.09528	1.8
291.10889	1.3
317.02850	3.9
425.26740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05494	0.9
57.03428	0.6
61.02919	0.7
69.03429	3.8
70.79498	0.9
71.04977	0.8
72.80569	0.4
79.01824	2.1
81.03409	13.1
82.48888	0.5
83.04975	1.2
85.02901	3.7
97.02890	6.0
99.04436	1.7
100.12157	0.4
104.46909	0.4
105.01864	0.5
105.06974	0.6
107.01298	0.8
107.04929	0.9
109.02869	6.4
119.03449	0.7
123.07919	0.4
125.02342	2.5
127.03912	8.0
131.04930	0.4
135.04402	5.6
143.03369	3.2
145.04936	2.0
147.04396	1.0
153.01811	100.0
154.02130	1.8
161.05960	1.3
162.06331	0.4
163.03897	1.7
163.06367	0.5
167.06989	0.7
171.02872	15.7
171.53479	0.4
181.04936	0.9
182.33507	0.4
193.08611	0.8
213.11154	1.1
228.37088	0.5
297.06012	12.7
298.06479	0.5
315.07056	24.8
316.07291	1.0
351.41211	0.4
358.96381	0.5
478.19366	0.8
479.21863	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	478.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01873	0.7
57.03427	0.7
59.04999	0.6
67.03574	0.5
69.03423	1.6
70.06587	0.8
79.05492	0.8
81.03406	1.8
85.02895	5.2
87.00817	1.2
91.05446	1.3
92.04746	3.2
93.07040	0.6
95.08566	0.8
96.37491	0.5
97.02892	2.1
101.05977	1.1
103.05505	0.6
103.65387	0.5
105.01851	0.9
105.07003	0.9
107.04937	3.4
109.02879	1.8
119.04917	0.7
119.08613	0.6
127.03941	2.7
133.02855	2.1
135.06512	2.6
135.07985	1.1
137.05972	2.1
145.04997	1.3
147.04402	0.6
150.05267	0.6
151.07555	0.8
153.01828	1.5
159.02951	0.5
163.07526	1.8
165.05452	0.8
165.09106	0.8
167.05530	1.4
167.07051	2.3
169.04732	1.5
180.06305	8.5
180.07718	0.9
187.07550	0.6
195.10146	7.8
207.06418	1.4
213.11176	5.9
219.10272	0.7
222.07327	3.0
237.11259	1.9
242.02672	0.6
252.08469	1.8
279.12372	0.6
282.09537	1.1
302.18179	0.6
303.12195	1.1
308.10989	1.6
324.10458	8.7
460.15509	1.5
478.16809	100.0
479.17422	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	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01867	12.3
56.82473	1.9
57.03423	2.9
57.07057	5.0
67.05483	6.0
67.39267	1.8
67.52204	1.6
69.03429	17.6
69.07056	10.1
70.02921	6.3
70.06567	3.2
71.04967	3.7
71.42833	2.2
72.04507	19.2
73.02914	15.5
79.84262	1.9
81.03410	23.8
83.04963	9.4
85.02902	19.1
85.06527	9.4
86.09692	5.1
87.00814	3.3
87.08082	3.2
88.03972	3.1
90.05543	34.8
95.04961	11.7
97.02874	19.5
98.02421	18.2
99.04405	6.2
100.03969	6.0
103.05450	1.9
103.07539	4.2
105.01842	4.6
107.04967	10.1
109.02867	36.1
113.05975	7.8
115.03896	5.3
115.36708	1.9
116.03446	21.6
124.07562	28.2
127.03909	21.4
131.07063	2.7
132.06526	10.7
135.08041	3.7
136.05034	6.3
137.05951	3.9
138.05492	3.2
142.08618	23.5
145.04918	12.2
147.04422	4.5
153.01799	7.3
153.05421	1.8
154.04959	7.8
154.08527	2.5
156.06561	2.1
159.02931	2.1
160.09656	8.2
161.06021	3.9
163.03828	5.2
163.06262	2.8
163.07535	8.2
166.08644	5.6
167.07033	23.6
170.07991	2.2
172.09636	4.8
174.11217	5.4
181.04893	2.6
184.09680	35.7
193.08580	3.2
195.10136	6.7
198.07591	5.2
199.06075	5.3
202.10712	100.0
203.11360	3.9
211.09575	10.0
213.11217	29.9
216.08618	5.9
220.11787	18.3
230.10130	9.8
234.09723	8.7
244.11684	2.5
262.12772	16.8
310.12836	11.7
315.07016	2.2
321.12991	3.0
328.13879	58.5
346.15024	10.0
348.12814	2.5
364.15945	21.3
478.09824	3.7
478.15558	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	478.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32526	2.9
67.05509	3.2
70.12724	6.9
70.13068	5.2
76.45736	3.0
78.92324	2.9
89.51885	3.5
91.05474	7.9
98.23399	5.0
103.05451	40.7
105.07003	16.0
109.39255	3.0
115.05435	3.7
119.04919	13.4
130.68707	3.4
131.04912	100.0
133.06459	12.9
137.05945	6.5
147.04381	13.9
151.07561	4.7
151.09157	3.0
161.05992	33.2
163.07539	31.4
179.07024	18.5
184.35690	3.1
199.07593	5.6
201.55545	3.4
231.08113	4.1
232.72638	3.8
274.43945	3.1
291.10181	12.4
323.12756	4.1
351.12296	15.3
360.23428	4.6
450.61877	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01870	7.8
55.05494	7.3
57.03428	4.4
57.07077	2.1
60.04502	1.6
61.02921	3.3
62.06084	2.5
67.05499	29.5
69.03420	26.4
69.07050	6.4
69.53765	6.6
71.04980	7.6
73.02907	4.0
79.05482	25.8
81.03413	26.8
81.07053	21.7
83.04973	5.2
85.02402	3.2
85.02898	53.2
85.03414	2.7
85.06533	2.4
87.00833	16.7
91.05470	20.7
93.07036	26.8
95.04971	8.8
95.08597	31.5
96.08929	3.1
96.18253	2.0
97.02882	22.0
97.06522	4.5
97.10139	2.4
99.04445	8.8
99.08068	3.8
105.01849	25.1
105.07030	6.3
107.04931	4.1
107.08603	17.7
108.04499	2.7
109.02872	30.4
109.06499	4.4
109.10144	49.2
109.10887	2.7
111.08073	3.5
113.09601	2.8
114.70161	1.6
115.78235	1.9
117.05492	2.4
117.07065	2.0
119.08540	10.8
121.06493	4.7
121.10146	4.6
123.08042	2.9
125.06000	9.3
125.09584	2.7
127.03014	3.3
127.03905	40.6
131.08545	4.0
133.10109	10.3
135.07996	2.0
135.11673	54.4
136.12041	1.8
137.05984	2.8
137.09601	100.0
137.86337	1.6
138.09906	2.3
139.07532	6.8
145.04980	13.9
145.10095	2.5
147.11754	2.7
149.09598	2.1
149.13220	6.5
151.07520	2.5
155.10616	8.6
157.10088	2.7
159.02876	3.8
159.11681	2.6
164.48148	2.0
165.09105	79.4
166.09511	3.3
175.11206	2.2
177.12733	7.8
183.10089	8.6
185.46121	1.6
195.13786	43.4
201.11179	14.1
213.05548	3.1
231.04961	10.1
291.12201	6.7
301.17981	2.1
309.13300	50.3
310.13739	1.9
327.14325	19.9
345.15353	3.2
357.90192	1.6
398.31442	2.1
477.36264	4.5
478.36234	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.2
57.07067	5.6
65.03934	1.3
66.92114	0.9
67.05495	6.9
69.03421	2.7
69.07060	17.3
69.62447	2.7
71.01456	1.0
74.98791	0.9
78.32487	0.8
79.05472	8.6
81.03412	3.1
81.07048	15.6
83.08609	11.4
85.02902	7.7
87.00809	3.9
91.05474	8.1
93.07036	25.2
95.04949	2.3
95.08598	46.8
96.08904	1.1
97.02886	3.6
97.10147	4.7
105.01863	10.6
105.07009	5.7
107.08579	64.4
108.08926	1.8
109.02842	1.4
109.10137	14.6
111.08160	1.1
119.08621	2.3
121.10129	93.2
122.10497	1.7
123.11694	6.4
125.09598	2.0
127.03918	7.2
133.10088	1.0
135.11685	22.4
137.13235	35.6
139.11162	3.6
145.04936	4.3
145.10048	1.5
149.13225	8.0
161.07402	1.0
177.16365	100.0
178.16692	2.6
195.17426	22.0
208.87988	0.9
213.20593	0.9
231.04955	3.1
245.19154	1.0
249.06116	3.2
301.17950	2.1
302.18356	2.8
416.12613	1.1
449.91315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03928	0.9
55.05508	13.1
56.05848	0.3
57.03180	0.7
57.03434	8.0
57.07078	1.9
62.06081	0.6
65.03927	1.1
67.05500	26.1
68.05823	0.6
69.07064	16.3
69.07442	0.8
69.87008	1.0
71.04970	0.8
71.08619	1.0
79.05488	7.3
79.63126	0.4
81.07051	27.8
83.04967	0.7
83.08609	7.3
85.06527	1.0
91.05469	5.4
93.07044	8.0
95.04961	1.0
95.08598	19.4
97.06525	2.2
97.10164	4.2
98.23387	0.5
98.98428	0.6
99.08119	0.6
99.71136	0.3
105.07018	3.1
107.08577	3.7
109.05264	0.4
109.06456	0.4
109.10153	6.7
111.08070	0.7
111.11763	0.5
119.08567	2.5
121.10123	3.9
123.08062	0.4
123.11695	3.1
124.01645	0.3
131.08504	0.4
133.10117	2.9
135.11688	1.4
137.13226	0.8
147.11679	1.6
149.13234	0.7
161.13219	1.2
163.14877	0.7
165.12804	0.5
175.14755	0.5
189.16374	0.6
198.05344	0.4
216.06279	0.8
245.22681	0.7
248.60782	0.4
263.23764	1.3
306.27899	2.7
337.27338	100.0
337.97388	0.3
338.27701	5.0
479.29745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03937	1.6
53.67507	1.4
54.02774	1.5
55.01862	4.0
55.05509	21.6
56.04131	1.3
57.03438	5.1
57.07069	2.3
62.06086	34.0
62.77270	1.6
67.05501	47.0
69.07066	21.1
75.25331	1.4
79.05489	21.2
80.05827	1.7
81.03418	4.7
81.07051	49.6
82.07382	4.1
82.52527	1.5
83.04994	3.6
83.08613	12.7
85.02911	2.7
85.06561	1.9
91.05489	13.9
91.79742	1.7
92.05815	2.0
93.07034	21.3
95.04974	5.3
95.08601	28.9
97.06527	4.7
97.10158	5.2
98.06039	2.1
98.98460	9.6
99.08092	2.2
105.07021	9.5
107.04923	3.0
107.08600	13.7
108.08946	2.2
108.33047	1.7
109.06516	2.7
109.10154	12.3
111.08066	3.6
117.07004	3.4
119.08575	6.0
121.06494	2.3
121.10128	7.9
123.08012	2.2
123.11694	4.4
124.01589	1.8
125.09634	2.7
126.09966	1.8
129.07045	1.5
131.08568	3.7
133.10123	8.7
134.10535	1.9
135.11681	4.6
137.09584	2.0
137.13245	1.9
147.11745	2.4
149.13249	3.2
155.01006	7.3
157.10123	2.4
159.11705	2.4
161.13118	1.8
163.11157	1.8
164.11325	1.5
173.02135	2.1
175.14899	1.5
193.12215	4.5
198.05296	2.8
216.06354	4.4
263.23697	6.7
306.27942	15.5
337.27338	100.0
338.27737	4.4
338.41394	1.6
353.91818	1.6
368.22876	3.2
386.23981	6.3
404.24872	1.7
406.24106	1.7
460.27628	7.1
461.28580	1.9
478.28983	11.0
479.30051	8.1
501.34891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02370	0.6
51.77409	0.2
53.00295	0.2
55.05499	0.3
64.80712	0.1
65.03922	0.3
66.70660	0.1
67.05492	1.3
68.99770	0.2
69.03416	0.5
77.03923	0.1
79.01847	4.9
81.03407	0.4
83.04973	1.5
88.95954	0.1
89.80259	0.1
93.03388	0.3
95.04956	3.9
97.02888	1.0
98.22630	0.4
105.04504	0.2
106.40352	0.1
107.01305	1.5
109.02866	0.8
111.04427	1.4
123.00766	0.3
123.04453	0.2
125.02327	3.4
127.03889	1.7
139.03896	0.5
142.39359	0.1
143.03383	7.2
144.03621	0.1
153.01808	100.0
153.02869	5.2
154.02119	1.6
165.55351	0.1
171.02863	2.3
174.73634	0.1
200.84407	0.1
218.37163	0.2
245.04596	0.3
309.06003	21.6
310.06308	0.7
339.04993	0.2
479.07968	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55616	3.9
50.67233	2.9
51.07643	3.8
53.03944	8.4
55.01855	14.7
55.05508	52.8
56.05848	8.6
57.03425	12.5
57.07069	3.7
57.43776	3.4
59.04989	5.8
65.03931	4.2
67.05499	69.8
68.05831	7.3
69.03430	17.3
69.07073	26.1
70.07401	5.4
71.04980	10.2
71.43267	2.9
73.06554	5.8
77.03903	5.3
78.54504	3.6
79.05042	5.1
79.05491	80.0
80.05813	13.1
81.03410	60.7
81.07054	75.8
82.03754	13.6
82.07376	13.7
83.04967	18.5
83.08603	35.4
84.05318	4.5
84.08936	8.1
85.02897	14.0
85.06532	7.7
86.03200	3.3
90.57466	3.3
91.05473	71.7
91.06037	4.7
92.05801	12.5
93.07038	65.3
94.07376	12.9
95.04964	54.1
95.07017	3.3
95.08591	31.7
96.05296	13.7
96.08938	7.7
97.02890	11.4
97.06522	11.4
97.10163	25.0
98.10500	11.8
99.04439	3.9
99.08112	4.6
103.05450	7.6
105.04531	4.5
105.07021	63.9
106.07365	15.3
107.04953	34.0
107.08582	35.4
108.05246	7.6
108.08926	10.5
109.02853	4.9
109.06474	19.2
109.10141	30.5
110.06768	3.3
110.10493	6.3
111.04395	4.3
111.08086	6.9
112.08446	4.1
113.06010	3.8
114.48080	3.2
115.05424	7.4
117.07026	19.0
118.07365	7.2
119.04939	7.7
119.08566	32.1
120.08903	15.1
121.02916	3.4
121.06509	32.9
121.10127	23.8
122.06809	7.3
122.10474	4.4
123.08063	10.7
123.11707	7.5
125.02373	8.5
125.09623	27.5
126.09991	12.0
127.11179	5.5
128.06224	4.0
129.05484	5.3
129.06984	15.2
130.07347	4.7
131.04926	6.2
131.08575	21.8
132.08876	5.5
133.06479	30.4
133.10130	15.1
134.06860	4.8
134.10457	4.5
135.04382	5.1
135.08051	16.0
135.11728	6.6
136.08406	4.8
136.12088	3.2
137.02376	6.3
137.05948	9.2
137.09584	6.6
139.03905	3.9
141.06940	3.7
142.07765	3.2
143.08566	7.0
144.08908	7.2
145.06470	14.0
145.10124	17.4
146.06798	4.5
146.10478	6.4
147.00797	6.2
147.04338	5.1
147.08031	8.4
147.11665	18.4
148.08405	3.7
148.12036	7.0
149.05945	5.6
149.09587	10.8
149.13243	9.7
150.09909	3.3
151.07529	10.6
153.01816	14.1
153.09143	6.1
154.09471	5.3
155.08565	5.9
157.06519	3.7
157.10083	16.8
158.10458	6.4
159.08023	5.7
161.05959	15.9
161.09583	5.7
163.04012	4.2
163.07552	4.3
163.11188	9.5
165.01793	15.7
165.06992	6.4
165.09119	11.7
165.12700	6.3
167.06142	4.2
167.08531	8.2
169.10103	5.9
171.08044	6.4
171.11656	5.9
172.12050	4.5
173.09572	4.0
175.00284	6.3
175.11153	11.1
176.11514	7.3
177.01805	31.6
179.03418	3.7
179.07036	4.7
181.01323	35.4
181.10085	3.7
181.12207	4.5
183.08104	6.4
185.09625	4.7
186.13605	3.6
189.05492	4.5
189.11206	18.4
190.11507	5.1
191.03351	7.7
193.01353	12.9
193.06540	7.5
193.08543	7.2
193.12210	26.6
194.12561	17.9
195.08000	9.1
197.13336	3.4
202.99773	29.4
205.01306	15.1
205.06534	9.4
205.12277	4.1
207.02893	6.6
207.06523	6.3
209.00787	16.6
211.02335	7.1
211.07654	9.9
211.13344	9.0
212.13675	11.7
214.18985	4.1
217.01305	6.8
219.02823	4.5
219.06468	5.8
221.00832	17.5
221.05997	12.4
223.02319	10.7
223.07521	16.9
227.07091	5.6
227.12807	9.6
228.13005	7.5
229.04935	6.7
230.99187	12.4
231.02835	5.5
233.05975	6.3
233.15363	11.1
234.15739	7.0
235.02325	19.8
235.07706	7.3
239.06996	13.0
240.14688	4.0
241.08551	8.5
243.06461	5.5
245.00847	9.6
246.15636	6.2
249.00275	100.0
249.05478	13.4
251.07147	12.6
257.04449	37.8
263.01749	19.3
267.06494	31.8
267.15906	8.2
268.16290	8.6
269.08014	25.1
271.02289	8.4
271.06113	8.9
274.15366	4.0
277.05106	5.9
279.06500	13.5
281.04541	4.3
281.07965	4.6
283.02429	8.5
285.07568	9.7
291.01288	25.7
293.08038	4.2
295.05960	49.4
297.04321	6.3
297.07532	45.7
298.08112	10.7
299.09250	4.9
301.03601	5.4
305.04416	5.9
307.06049	5.0
313.07013	43.5
313.10785	10.0
315.04962	8.3
315.08572	7.1
316.60562	3.6
323.05450	57.6
325.07034	30.2
327.08484	12.1
337.07379	3.7
340.23355	4.2
341.06586	71.4
342.21478	4.2
343.08032	9.2
350.21863	6.8
351.04904	32.6
355.08121	17.4
357.09738	14.3
359.07541	7.8
367.22693	4.5
368.23022	25.6
369.06030	55.6
369.23230	9.1
370.06311	4.9
373.09338	9.1
379.04745	4.3
383.07623	28.6
385.23663	5.2
386.24026	42.2
387.07025	11.7
387.24542	18.9
397.05380	6.5
401.08606	22.5
404.25137	14.5
405.25473	7.8
411.07068	6.2
415.06451	10.2
419.09637	7.7
425.26404	4.4
443.27408	5.7
460.27786	49.4
461.28122	32.8
478.29041	30.3
478.35287	6.3
479.19073	7.1
479.29224	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	479.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55616	3.9
50.67233	2.9
51.07643	3.8
53.03944	8.4
55.01855	14.7
55.05508	52.8
56.05848	8.6
57.03425	12.5
57.07069	3.7
57.43776	3.4
59.04989	5.8
65.03931	4.2
67.05499	69.8
68.05831	7.3
69.03430	17.3
69.07073	26.1
70.07401	5.4
71.04980	10.2
71.43267	2.9
73.06554	5.8
77.03903	5.3
78.54504	3.6
79.05042	5.1
79.05491	80.0
80.05813	13.1
81.03410	60.7
81.07054	75.8
82.03754	13.6
82.07376	13.7
83.04967	18.5
83.08603	35.4
84.05318	4.5
84.08936	8.1
85.02897	14.0
85.06532	7.7
86.03200	3.3
90.57466	3.3
91.05473	71.7
91.06037	4.7
92.05801	12.5
93.07038	65.3
94.07376	12.9
95.04964	54.1
95.07017	3.3
95.08591	31.7
96.05296	13.7
96.08938	7.7
97.02890	11.4
97.06522	11.4
97.10163	25.0
98.10500	11.8
99.04439	3.9
99.08112	4.6
103.05450	7.6
105.04531	4.5
105.07021	63.9
106.07365	15.3
107.04953	34.0
107.08582	35.4
108.05246	7.6
108.08926	10.5
109.02853	4.9
109.06474	19.2
109.10141	30.5
110.06768	3.3
110.10493	6.3
111.04395	4.3
111.08086	6.9
112.08446	4.1
113.06010	3.8
114.48080	3.2
115.05424	7.4
117.07026	19.0
118.07365	7.2
119.04939	7.7
119.08566	32.1
120.08903	15.1
121.02916	3.4
121.06509	32.9
121.10127	23.8
122.06809	7.3
122.10474	4.4
123.08063	10.7
123.11707	7.5
125.02373	8.5
125.09623	27.5
126.09991	12.0
127.11179	5.5
128.06224	4.0
129.05484	5.3
129.06984	15.2
130.07347	4.7
131.04926	6.2
131.08575	21.8
132.08876	5.5
133.06479	30.4
133.10130	15.1
134.06860	4.8
134.10457	4.5
135.04382	5.1
135.08051	16.0
135.11728	6.6
136.08406	4.8
136.12088	3.2
137.02376	6.3
137.05948	9.2
137.09584	6.6
139.03905	3.9
141.06940	3.7
142.07765	3.2
143.08566	7.0
144.08908	7.2
145.06470	14.0
145.10124	17.4
146.06798	4.5
146.10478	6.4
147.00797	6.2
147.04338	5.1
147.08031	8.4
147.11665	18.4
148.08405	3.7
148.12036	7.0
149.05945	5.6
149.09587	10.8
149.13243	9.7
150.09909	3.3
151.07529	10.6
153.01816	14.1
153.09143	6.1
154.09471	5.3
155.08565	5.9
157.06519	3.7
157.10083	16.8
158.10458	6.4
159.08023	5.7
161.05959	15.9
161.09583	5.7
163.04012	4.2
163.07552	4.3
163.11188	9.5
165.01793	15.7
165.06992	6.4
165.09119	11.7
165.12700	6.3
167.06142	4.2
167.08531	8.2
169.10103	5.9
171.08044	6.4
171.11656	5.9
172.12050	4.5
173.09572	4.0
175.00284	6.3
175.11153	11.1
176.11514	7.3
177.01805	31.6
179.03418	3.7
179.07036	4.7
181.01323	35.4
181.10085	3.7
181.12207	4.5
183.08104	6.4
185.09625	4.7
186.13605	3.6
189.05492	4.5
189.11206	18.4
190.11507	5.1
191.03351	7.7
193.01353	12.9
193.06540	7.5
193.08543	7.2
193.12210	26.6
194.12561	17.9
195.08000	9.1
197.13336	3.4
202.99773	29.4
205.01306	15.1
205.06534	9.4
205.12277	4.1
207.02893	6.6
207.06523	6.3
209.00787	16.6
211.02335	7.1
211.07654	9.9
211.13344	9.0
212.13675	11.7
214.18985	4.1
217.01305	6.8
219.02823	4.5
219.06468	5.8
221.00832	17.5
221.05997	12.4
223.02319	10.7
223.07521	16.9
227.07091	5.6
227.12807	9.6
228.13005	7.5
229.04935	6.7
230.99187	12.4
231.02835	5.5
233.05975	6.3
233.15363	11.1
234.15739	7.0
235.02325	19.8
235.07706	7.3
239.06996	13.0
240.14688	4.0
241.08551	8.5
243.06461	5.5
245.00847	9.6
246.15636	6.2
249.00275	100.0
249.05478	13.4
251.07147	12.6
257.04449	37.8
263.01749	19.3
267.06494	31.8
267.15906	8.2
268.16290	8.6
269.08014	25.1
271.02289	8.4
271.06113	8.9
274.15366	4.0
277.05106	5.9
279.06500	13.5
281.04541	4.3
281.07965	4.6
283.02429	8.5
285.07568	9.7
291.01288	25.7
293.08038	4.2
295.05960	49.4
297.04321	6.3
297.07532	45.7
298.08112	10.7
299.09250	4.9
301.03601	5.4
305.04416	5.9
307.06049	5.0
313.07013	43.5
313.10785	10.0
315.04962	8.3
315.08572	7.1
316.60562	3.6
323.05450	57.6
325.07034	30.2
327.08484	12.1
337.07379	3.7
340.23355	4.2
341.06586	71.4
342.21478	4.2
343.08032	9.2
350.21863	6.8
351.04904	32.6
355.08121	17.4
357.09738	14.3
359.07541	7.8
367.22693	4.5
368.23022	25.6
369.06030	55.6
369.23230	9.1
370.06311	4.9
373.09338	9.1
379.04745	4.3
383.07623	28.6
385.23663	5.2
386.24026	42.2
387.07025	11.7
387.24542	18.9
397.05380	6.5
401.08606	22.5
404.25137	14.5
405.25473	7.8
411.07068	6.2
415.06451	10.2
419.09637	7.7
425.26404	4.4
443.27408	5.7
460.27786	49.4
461.28122	32.8
478.29041	30.3
478.35287	6.3
479.19073	7.1
479.29224	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	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68789	2.8
55.01866	7.1
55.05504	18.7
56.05834	3.1
56.06126	2.5
57.03429	4.0
59.05010	3.5
65.03944	3.4
67.05496	25.6
68.99786	6.7
69.03444	5.9
69.07055	6.6
69.51585	10.5
69.86417	2.6
71.04998	3.2
79.01861	5.4
79.05487	32.2
80.05833	5.1
81.03409	10.6
81.07047	31.0
82.03755	2.9
83.04973	12.2
83.08630	8.2
85.02900	3.3
85.06522	3.6
91.05479	28.9
93.07031	25.1
95.04964	19.7
95.08589	7.9
97.02855	6.4
97.06507	4.7
97.10169	7.9
99.04455	3.5
99.08088	3.1
100.11247	4.0
103.05458	10.0
105.07020	38.4
105.88409	3.1
106.45377	2.8
107.04958	17.7
107.08569	13.7
109.06503	8.2
109.10150	4.7
111.04410	4.6
115.05447	6.2
117.07028	4.7
119.04901	5.3
119.08581	9.6
121.06492	12.7
121.10157	5.8
123.08069	5.7
125.02361	5.3
125.09642	7.1
129.07007	5.1
131.04904	8.0
131.08568	5.3
132.05746	6.1
133.06488	21.8
133.10109	3.5
135.04401	4.3
135.08029	6.9
137.02354	4.1
137.05939	5.4
139.03900	4.9
142.60414	3.1
143.08588	4.3
145.06441	4.9
147.04396	11.0
147.11678	5.1
149.05972	11.0
149.09647	4.6
151.07523	9.3
152.06216	5.3
153.01830	18.7
153.07082	3.7
155.04829	3.2
155.08542	3.6
157.10091	6.2
157.49948	2.9
161.05962	30.0
163.03960	6.9
163.07500	6.0
164.08292	3.4
165.01854	8.7
165.06953	10.2
167.03453	4.3
167.08533	6.8
175.11278	3.6
177.01874	3.1
177.05498	6.4
177.06967	5.7
179.03355	3.7
179.07013	5.9
181.01306	30.0
181.06496	4.5
182.15263	3.2
183.02936	4.1
183.04430	4.5
187.03790	3.4
187.07463	3.4
188.04623	3.2
189.01801	4.9
189.05452	7.9
191.03337	7.8
192.07751	3.9
193.01337	19.9
193.06512	9.5
193.08456	6.4
193.12270	4.3
194.12558	3.9
195.08002	22.6
197.05984	4.9
199.03912	6.0
202.99661	3.6
205.01340	3.8
205.04922	6.6
205.06429	5.6
207.02821	8.5
207.06442	3.9
209.00807	15.1
211.00273	2.9
211.02353	9.2
211.07481	15.0
213.05333	3.6
217.01347	7.9
219.02844	3.9
219.06383	4.4
221.00838	3.3
221.05977	21.5
221.07938	4.3
223.02481	13.8
223.07489	24.1
225.09084	4.9
226.06053	2.9
229.04941	6.5
231.02798	3.9
233.05891	7.2
235.02397	14.3
235.07524	12.0
239.07005	23.6
241.08571	9.8
245.00710	3.9
249.00288	14.5
249.05693	17.5
251.07018	29.9
253.04970	4.6
255.02852	4.0
255.06503	3.7
257.04410	23.5
261.05502	3.7
263.01843	11.6
267.06503	42.3
268.07062	4.6
269.08063	23.7
271.02292	6.6
271.05890	4.5
277.04883	11.8
279.06558	22.1
281.04391	5.4
281.07962	6.3
283.02310	15.7
283.05914	4.3
285.07486	5.6
291.01346	6.9
295.05960	65.5
296.06567	7.7
297.04376	5.8
297.07541	47.0
299.09091	3.7
305.04382	8.9
307.06046	20.0
308.03195	3.8
313.07111	38.6
313.10464	5.4
315.08472	5.6
323.05466	100.0
324.05872	7.2
325.07028	38.6
326.07059	3.9
327.08414	11.4
329.10266	5.3
333.03610	3.8
335.05209	3.4
341.06537	72.5
342.07077	5.2
343.08038	11.5
351.04932	85.0
353.06244	3.4
355.08109	23.2
357.09726	8.8
359.07657	5.7
368.22955	3.7
369.06073	62.7
370.06140	3.9
373.09131	9.5
379.04471	12.4
383.07654	28.7
386.23859	11.5
387.06979	11.2
387.24252	4.9
397.05695	13.8
401.08698	12.3
411.06943	6.7
415.06262	5.4
419.09491	3.5
436.31540	6.1
460.27484	6.2
461.28046	3.9
478.28656	5.3
479.18655	12.1
479.29266	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	479.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09609	0.4
53.54369	0.4
55.05499	0.6
67.05502	0.3
69.03440	0.4
69.07082	0.4
69.40829	1.9
70.89989	0.3
71.04987	0.6
73.55161	0.4
79.05474	0.9
81.07052	0.9
81.85379	0.3
83.04998	0.5
85.02914	0.4
91.05458	0.7
93.07011	0.9
95.04992	0.5
95.08616	1.1
97.06492	0.5
97.28806	0.4
105.07045	0.9
107.08581	0.9
109.06470	0.4
109.10143	0.7
119.08574	0.7
121.06522	0.5
121.10103	0.3
122.09647	1.1
131.08623	0.4
133.10127	0.8
137.05914	0.6
145.10141	0.8
153.01852	0.4
163.11209	0.8
173.09601	0.7
185.04256	0.5
199.11211	0.5
211.13327	1.3
214.13202	0.7
227.05283	0.4
231.13559	5.0
239.14505	0.5
245.06367	1.1
262.21780	0.4
265.15216	1.1
271.04224	2.6
283.15356	1.4
289.05225	4.2
289.15579	0.4
317.17447	0.7
323.30902	0.4
375.17990	0.8
393.18719	9.4
417.18591	1.7
425.26898	0.5
435.19873	34.4
436.20190	2.0
443.27728	1.4
461.28369	0.5
471.52115	0.4
479.18848	100.0
480.19174	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03948	0.4
55.01875	1.2
55.05489	0.4
65.03934	1.7
66.04716	0.4
67.05493	2.1
68.79715	0.3
69.03403	0.7
69.23913	2.0
76.44541	0.4
77.03907	0.5
79.05484	3.8
81.07033	1.7
88.82210	0.4
91.05470	20.6
93.07045	3.4
94.04180	4.3
95.04950	3.5
95.08582	0.8
98.23464	0.8
103.05446	3.0
105.04498	0.6
105.07021	3.7
107.04955	3.8
107.08572	1.8
108.05729	2.1
109.06501	3.4
115.05432	4.7
116.06261	0.6
117.03342	0.5
117.07001	4.3
119.04922	10.2
119.08569	1.1
121.06492	6.1
122.03632	7.9
123.04414	0.4
123.08051	5.8
123.11786	0.4
124.05224	0.4
128.06204	1.7
128.76178	0.4
129.06990	5.3
131.04887	2.5
131.08556	1.2
132.05627	0.4
133.06438	1.5
134.03603	0.4
134.07224	0.4
135.04417	0.7
135.08020	3.1
136.05164	2.9
137.05956	100.0
138.06306	1.9
141.06963	0.8
143.04889	3.2
143.08488	0.4
144.05634	0.5
145.06491	2.7
146.03564	1.5
146.07219	0.8
147.04425	0.6
147.08026	1.0
148.05162	0.9
149.05943	3.4
149.09569	1.3
150.06747	0.7
151.03966	3.2
151.07518	71.0
152.06104	0.5
152.07835	1.0
153.06990	1.0
155.05984	0.5
157.06445	3.4
159.08060	0.8
160.05130	0.9
161.05957	23.9
161.09608	3.7
162.06671	1.1
163.03790	0.4
163.07518	7.2
165.05644	0.6
165.06949	2.3
165.09065	3.6
166.07657	0.9
167.07037	0.4
167.08546	0.9
167.10625	0.6
171.08017	0.5
172.05247	0.5
173.05933	0.6
174.06755	2.5
175.07527	6.4
177.05511	0.4
177.06961	1.3
177.09091	9.0
178.07651	1.2
179.08501	2.1
181.06450	2.3
182.07253	0.7
187.07515	2.9
189.07289	0.7
189.09064	11.9
190.07727	0.5
191.08524	0.9
191.10643	1.0
193.06416	1.4
193.08438	0.5
194.07249	2.0
195.08127	2.7
195.10130	34.8
196.10483	0.7
197.05893	0.9
197.09636	0.6
199.07501	0.8
202.07674	0.8
205.06438	4.8
205.08508	2.2
205.10161	0.5
206.07086	1.0
207.08078	1.7
207.10121	6.1
208.08704	0.7
209.05977	0.9
209.09557	1.3
210.06665	1.8
211.07500	1.4
212.08133	0.6
213.05443	0.5
213.09052	0.9
215.08679	0.5
217.10164	0.9
218.07147	0.9
219.07988	3.1
220.08783	0.8
221.05936	2.7
221.09613	0.5
222.06729	2.3
223.07584	1.9
224.08136	1.3
225.05321	0.9
225.09047	3.2
226.06186	0.6
226.09747	0.7
226.92407	0.4
227.06894	1.3
227.10577	0.8
229.61800	0.4
233.06024	2.5
233.09430	0.5
234.06685	2.3
234.10303	0.5
235.07446	1.8
236.08328	1.1
237.05421	0.5
237.09045	7.3
238.06271	2.1
238.09718	0.5
239.06966	1.3
239.10590	1.1
240.07674	0.9
241.08533	1.9
241.12196	0.4
244.08797	0.5
245.09587	1.6
247.07510	1.8
248.08267	0.6
249.09058	2.1
250.06142	2.1
250.10027	0.5
251.06940	2.0
251.10619	1.3
252.07686	1.4
253.08543	4.9
254.09299	1.5
255.06514	1.1
255.10045	1.5
259.09537	0.5
261.08939	0.7
262.06091	0.7
262.10007	0.5
263.06964	1.0
263.10522	0.6
264.07724	1.2
265.08557	16.9
266.09186	2.4
267.07126	0.5
267.10001	2.5
268.07288	1.6
269.07874	2.3
269.11728	1.0
270.08698	1.1
271.09607	0.8
272.10565	0.5
273.08661	2.0
273.11328	1.0
274.09708	0.6
277.08517	2.3
277.12061	1.6
278.09100	0.6
279.10175	3.2
280.10730	0.4
281.07983	1.4
281.11713	0.4
282.08673	0.8
283.09576	8.2
284.10452	1.8
285.08337	0.7
285.11203	12.3
287.12640	1.5
290.09280	0.9
291.09955	1.1
293.11575	0.8
295.13321	0.7
296.10449	1.0
297.11188	18.6
298.12015	1.8
299.12842	2.8
305.11676	3.1
309.11142	1.5
311.12805	13.1
312.12933	0.4
317.13751	6.0
323.12766	3.6
325.14151	0.4
327.09879	0.5
337.14395	3.6
341.14053	2.3
342.14236	0.6
351.13800	0.5
355.15363	1.8
369.10803	0.5
369.14932	0.5
371.12698	0.6
397.14273	0.4
401.13135	0.8
403.15292	1.0
419.18289	0.5
429.16754	1.1
433.16187	1.1
435.17828	1.2
447.17810	1.0
461.19913	1.7
479.20883	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.2
54.46730	8.6
55.01868	11.4
55.05495	32.5
57.03428	15.9
57.07073	12.6
67.05500	82.9
69.03412	37.0
69.07064	21.8
70.68066	12.1
71.04985	15.4
79.05493	46.8
81.03408	49.9
81.07047	100.0
83.04972	21.3
83.08612	13.2
85.02882	24.7
85.06539	63.8
91.05470	51.8
93.07040	55.7
93.64616	8.9
95.04983	13.2
95.08605	85.9
97.02903	16.7
97.06507	21.6
97.10148	14.5
101.77660	8.9
103.07594	46.8
103.56893	9.7
105.07027	46.7
107.04927	14.7
107.08577	34.4
109.02856	19.6
109.10134	25.2
111.08081	9.3
117.06977	10.2
119.08582	55.0
121.06485	19.7
121.08618	18.0
121.10128	31.9
123.08051	19.7
123.11651	13.1
124.03935	22.1
127.03899	22.4
129.06963	16.0
131.08527	21.8
133.10112	38.2
135.07997	14.2
135.11662	11.7
137.05949	40.4
137.13220	10.1
149.09521	13.0
151.07538	50.8
159.11678	9.9
161.13217	40.6
179.14259	29.5
191.14316	13.3
195.10135	14.8
263.16431	12.4
269.08145	16.0
287.16516	14.1
297.11093	12.0
305.17517	34.4
323.18466	93.9
341.19614	33.4
448.95453	9.2
479.18494	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	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01851	6.5
55.05507	28.5
57.03428	13.3
57.07070	2.8
59.33046	1.9
65.03938	4.9
67.05499	80.6
69.03416	4.4
69.07065	24.7
71.04984	10.6
77.03953	2.5
79.05484	63.4
81.03413	50.4
81.07047	100.0
83.04979	20.3
83.08603	27.7
85.02895	24.0
85.06544	7.0
87.04475	2.3
91.05474	62.7
92.05816	2.5
93.07032	75.4
93.07599	4.1
95.04961	33.3
95.08598	28.1
97.02889	3.4
97.06522	13.8
97.10162	4.5
99.08113	3.7
104.23388	1.8
105.04512	3.1
105.07017	33.6
107.04962	7.8
107.08581	41.5
109.06522	7.0
109.10162	6.5
111.04411	2.8
111.08071	14.0
113.06024	4.9
115.05422	2.9
117.07014	15.9
119.08553	21.2
121.06525	3.2
121.10125	18.8
123.04793	1.8
123.07996	2.8
123.11707	3.1
123.60893	1.9
125.09629	3.0
129.06998	13.7
130.55942	2.0
131.08554	22.1
133.06537	2.2
133.10115	22.1
135.08054	3.0
135.11694	10.3
137.09683	3.0
142.07761	4.2
143.08492	2.2
145.10187	3.2
147.08025	4.3
147.11644	16.5
149.09645	9.3
149.13242	29.0
151.11223	2.0
157.10146	12.2
159.11720	8.8
165.12756	3.4
175.11208	13.6
177.12776	6.7
189.11282	2.3
193.12218	45.9
195.13799	12.4
203.22443	2.0
211.13263	49.6
211.15083	4.2
267.16086	6.2
269.17542	5.5
309.04669	2.0
312.57480	2.4
383.44168	2.3
387.25604	3.9
461.28958	10.9
479.30112	74.3
480.30542	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01874	5.1
55.05252	2.0
55.05506	26.0
57.03430	14.3
57.07067	2.9
59.04993	1.6
65.03938	3.8
67.05499	79.9
68.05840	2.0
69.03427	4.0
69.07058	26.0
71.01357	1.5
71.04988	11.2
71.08633	1.3
79.05485	67.2
81.03410	57.1
81.03901	1.8
81.07049	100.0
82.07385	3.0
83.04974	19.9
83.08610	28.9
85.02896	28.8
85.06535	5.2
91.05470	55.1
92.05749	1.1
93.07034	71.3
94.07372	1.5
95.04958	37.6
95.08591	28.5
97.02901	3.5
97.06510	13.9
97.10152	4.7
97.19679	1.0
99.08085	4.0
105.04506	3.4
105.07015	31.2
107.04959	6.4
107.08584	37.6
109.06495	9.2
109.10140	9.2
111.04431	3.0
111.08071	17.2
113.05978	3.4
114.81580	1.0
115.05449	2.2
117.07002	10.2
117.30076	1.1
119.06087	1.4
119.08566	21.1
121.06501	4.2
121.10137	27.0
123.08059	3.8
123.11703	3.4
125.09614	3.1
126.75231	1.0
129.06998	13.4
131.08563	20.3
133.06506	3.6
133.10115	18.9
135.08081	2.2
135.11674	8.8
137.09669	2.2
139.11156	1.8
142.07689	1.5
145.10124	2.4
147.08076	2.5
147.11664	13.4
149.09660	6.8
149.13248	32.8
150.13605	1.1
151.11214	2.2
155.08548	1.1
157.10124	13.5
159.11656	13.4
163.11212	1.2
165.12744	3.6
167.14323	1.2
175.11200	12.9
177.12778	5.7
193.12219	57.3
194.12540	1.7
195.13800	10.4
204.12143	1.3
211.13268	65.0
212.13565	1.2
229.14401	1.1
234.68062	1.0
251.16357	1.3
267.15826	9.9
269.17432	7.7
361.23590	1.5
369.24142	3.1
387.25226	3.9
396.29706	1.2
405.26691	1.0
435.27295	1.7
443.28195	1.1
454.95856	1.1
461.28888	13.9
462.29160	1.2
479.30096	97.0
480.30167	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	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
53.73600	1.5
55.01864	6.0
55.05507	30.9
57.03432	14.1
57.07074	2.7
59.04998	1.8
63.66393	1.3
65.03933	4.9
67.05502	80.5
69.03423	3.5
69.07064	25.5
71.04993	9.3
71.41602	1.6
77.03912	2.3
79.05489	68.2
81.03416	51.7
81.07053	100.0
82.07384	2.3
83.04971	15.7
83.08615	31.5
85.02901	23.7
85.06536	4.2
88.02433	1.4
91.05477	59.5
91.06055	2.9
92.05805	2.3
93.07037	66.0
95.04966	34.9
95.08608	26.3
97.02898	4.2
97.06525	13.5
97.10152	4.3
99.08112	5.1
105.04528	4.7
105.07029	31.2
106.07250	1.6
107.04950	5.9
107.08588	36.9
109.06528	7.8
109.10166	8.2
111.04474	2.4
111.08070	17.6
111.70291	1.5
113.06020	2.5
115.05439	2.2
117.07018	9.8
119.08569	18.9
121.10148	22.7
123.08088	4.4
123.11701	5.1
125.09602	3.0
129.06990	10.4
131.08553	22.6
133.06535	3.3
133.10114	18.2
135.08066	2.9
135.11659	7.8
137.09665	2.7
139.11159	2.3
142.07762	2.7
143.08583	2.7
145.10023	2.1
147.08054	1.7
147.11678	17.6
149.09607	8.6
149.13232	27.9
151.11250	3.3
157.10094	12.3
159.11673	11.5
165.12761	3.4
167.14471	1.9
175.11165	15.2
177.12766	3.0
185.20499	1.4
193.12233	56.4
193.13966	2.9
194.12656	3.3
195.13771	12.2
211.13277	51.6
213.15102	1.8
220.61716	1.6
249.15059	1.5
267.15836	7.7
269.17593	4.1
351.22824	2.2
369.24124	4.5
371.78430	1.8
387.25153	2.3
461.28680	10.1
479.30038	79.2
480.30215	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	479.3003
Annotation	22-Oxo-20-hydroxyecdysone
Peak:m/z	Relative Intensity
52.10721	3.8
55.01856	4.1
55.05507	11.7
57.03428	6.1
57.07061	11.4
65.03934	4.7
67.05502	37.7
69.03428	5.6
69.07058	29.9
71.04989	13.8
71.43581	5.4
78.48701	3.2
79.05486	24.4
81.07052	25.9
83.04985	4.8
85.06536	50.6
85.30714	3.4
91.05480	22.9
93.07031	38.1
95.04970	25.5
95.08604	78.4
97.06519	14.1
97.10167	10.1
99.08089	4.8
104.92044	3.4
105.04510	4.5
105.07023	36.0
107.04987	4.2
107.08572	27.2
109.06512	10.8
109.10139	9.7
111.08055	6.3
113.06001	29.0
113.09637	56.7
117.07002	13.0
119.04952	5.6
119.08592	18.7
121.06480	18.5
121.10175	19.0
123.08067	40.3
125.09716	8.3
129.06999	10.6
130.07819	4.1
131.08536	20.5
133.10123	15.7
135.08034	17.6
135.11708	11.7
137.05949	28.7
137.09576	7.5
139.11133	4.7
141.09073	20.6
143.08542	17.3
143.10674	11.3
145.06497	6.0
145.10103	31.2
147.08051	10.8
147.11676	13.6
149.09598	12.2
151.07553	13.0
155.08588	7.4
157.10098	13.1
157.12216	4.6
159.08064	10.1
159.10098	9.8
159.11662	13.9
161.05965	8.1
161.09579	15.3
161.13235	4.8
163.11165	16.2
169.10059	7.6
171.08058	9.3
171.11722	10.8
173.09584	46.7
173.13254	5.4
175.11209	7.7
177.12723	9.3
179.08420	4.4
179.10576	3.8
181.10204	3.9
181.12212	22.4
182.94373	3.8
183.08185	4.1
183.11647	8.4
185.09566	4.3
186.53163	3.4
187.11191	12.1
189.09097	10.3
189.12712	4.2
191.10690	24.5
195.10141	6.9
195.11797	6.4
195.13835	14.4
197.13260	10.5
199.11212	5.9
199.14728	4.4
201.12634	4.4
202.87529	3.4
205.12253	9.6
211.11208	5.4
213.12677	8.4
215.14320	11.6
219.13776	5.8
223.11172	4.3
225.12631	6.8
227.07309	3.7
227.14291	11.2
231.13843	12.9
232.16972	3.6
249.14549	18.0
251.18106	3.9
255.17480	6.5
265.15894	16.2
267.17261	7.8
277.19440	3.6
279.17438	3.8
283.17081	17.8
285.18500	14.6
295.20490	4.7
301.18027	19.1
303.19391	25.2
311.20050	6.0
313.21552	7.4
319.18857	7.7
329.21127	5.4
331.22662	12.1
357.20712	4.5
367.22772	7.1
371.22205	5.8
385.23669	21.2
389.24716	5.7
407.25433	24.2
425.26648	50.1
443.27829	100.0
444.28116	8.4
461.28937	44.4
464.00031	3.9
479.18341	5.5
479.33865	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.28945	1.0
55.01873	3.8
55.05506	29.3
57.03431	12.4
57.07074	1.7
59.05003	2.1
65.03938	4.2
66.00957	1.1
67.05499	75.8
68.05833	1.2
69.03423	5.2
69.07065	21.0
69.30790	3.6
69.31200	2.3
71.04984	7.8
79.05486	60.1
81.03414	45.5
81.07048	100.0
82.07406	1.2
83.04973	15.6
83.08611	29.2
83.09094	1.8
84.08982	1.2
85.02901	22.4
85.06528	5.9
91.05472	49.7
93.07037	59.2
94.07378	1.5
95.04962	25.4
95.08598	25.7
97.02896	2.0
97.06525	13.0
97.10169	4.3
99.08099	3.3
105.04524	3.4
105.07019	28.1
107.04955	6.3
107.08585	32.4
109.06508	5.7
109.10132	5.7
111.04452	2.1
111.08067	13.3
113.06029	2.3
115.05497	2.5
117.07017	11.1
118.67942	1.2
119.08564	19.0
121.06503	3.3
121.10137	20.7
123.08094	3.5
123.11665	2.4
125.09657	2.4
129.06985	10.3
131.08556	19.0
131.09454	1.4
133.06541	2.1
133.10115	18.6
135.08060	1.5
135.11650	6.3
139.11188	1.7
139.58630	1.1
142.07793	2.7
145.10104	2.7
147.08061	3.0
147.11655	14.0
149.09622	5.2
149.13239	24.8
157.10121	12.8
159.07991	1.3
159.11679	11.4
163.11205	1.9
165.12799	3.2
169.10040	1.2
175.11185	12.1
177.12735	5.3
193.12219	46.9
195.13782	9.3
198.93092	1.1
211.13277	47.3
212.13725	1.7
213.14871	1.4
249.15054	1.2
267.15814	7.2
269.17593	3.4
330.83731	1.2
369.24014	2.1
387.24991	1.5
461.28979	6.2
479.30133	65.5
480.30423	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	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03942	5.4
55.01875	5.0
55.05511	26.5
57.03440	14.5
57.07067	3.0
59.04987	1.2
65.03938	3.9
67.05499	86.8
68.05827	0.8
69.03421	3.6
69.07066	23.5
71.01354	1.4
71.04988	8.3
77.03912	1.8
78.71488	0.8
79.05489	60.0
81.03413	54.3
81.07052	100.0
82.03783	1.1
82.07402	1.0
83.04973	18.1
83.05431	1.3
83.08612	29.5
85.02899	29.6
85.03413	1.5
85.06545	5.7
86.32949	1.0
91.05474	51.8
92.31483	0.9
93.07039	68.3
95.04964	31.6
95.08601	29.5
95.09216	1.7
97.02870	2.3
97.06529	15.0
97.10141	4.9
98.23444	1.7
99.04449	1.3
99.08102	3.0
105.04521	2.2
105.07021	31.8
107.04958	6.9
107.08585	38.7
109.06522	7.4
109.10143	5.8
111.04475	2.3
111.08067	17.4
111.08812	1.0
111.11699	1.2
113.05997	4.1
115.05477	2.2
117.07008	7.8
117.10448	0.9
119.08574	20.2
121.06527	3.2
121.10133	24.8
121.10977	1.5
123.08085	2.7
123.11729	4.1
125.05984	1.0
125.09653	2.9
129.07013	10.5
131.08559	18.9
133.06503	3.3
133.10115	16.4
135.08167	2.0
135.11674	8.1
137.05972	0.9
137.09648	2.2
139.11183	1.8
141.07118	1.0
142.07806	1.9
145.10138	2.8
145.73933	1.0
147.08083	2.5
147.11670	13.5
147.79620	0.9
149.09636	7.4
149.13242	34.7
151.11279	2.0
157.10123	13.9
159.11694	12.2
163.11169	1.1
165.12817	3.8
175.11176	16.2
177.12743	6.6
178.12952	0.9
193.12230	57.0
195.13785	9.0
196.98308	0.9
211.13280	72.9
212.13657	2.8
230.84096	0.9
243.18774	0.8
249.14920	1.8
267.15710	5.3
269.17429	6.3
369.24042	2.1
387.25201	2.4
461.28696	5.6
479.30072	89.1
480.30350	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	22-Oxo-20-hydroxyecdysone
Peak:m/z	Relative Intensity
55.05507	4.3
57.03408	1.7
67.05488	5.4
69.07067	17.5
70.55698	2.7
71.04978	1.5
71.08648	1.7
72.95621	1.4
78.03921	1.6
79.05482	17.4
81.07050	100.0
83.05009	3.6
83.08591	1.6
90.23982	1.3
91.05465	7.1
93.07039	5.6
95.04996	4.2
95.08591	6.1
97.06525	7.8
99.08081	71.5
105.07016	9.0
107.08586	20.5
109.06502	9.0
109.10162	3.6
111.08062	1.9
113.52557	1.6
117.07021	1.9
117.96482	1.4
119.04954	3.2
119.08572	5.8
121.06494	4.2
121.10146	3.8
123.08064	5.8
125.08700	2.3
125.09620	40.9
128.06226	1.8
129.07060	1.8
131.08548	5.4
133.10115	4.1
135.08011	2.4
137.05968	12.5
137.09523	2.3
143.08560	7.7
143.10655	30.5
145.06360	1.8
145.10089	7.7
147.08031	2.7
147.11613	2.9
149.05968	1.6
149.09630	5.6
151.07520	5.8
155.08534	5.0
157.06471	2.4
157.10118	5.0
159.08005	2.6
159.11662	4.6
161.05974	2.6
161.09669	2.3
163.07579	1.7
163.11154	2.5
167.08513	2.9
169.10098	4.8
171.08054	6.9
173.09595	16.0
173.13255	3.0
175.11188	2.1
177.12619	1.6
181.06461	1.7
181.10178	3.0
182.10915	2.0
183.11636	2.9
185.09612	2.8
185.13225	2.8
187.11188	4.2
189.09116	5.2
191.10648	3.3
193.10168	3.1
195.08072	2.1
195.10135	1.9
195.11777	2.3
197.09558	2.6
197.13225	2.0
199.11171	4.9
205.10191	2.5
207.11789	2.2
209.09616	1.7
209.13268	2.1
211.11169	4.0
213.12743	2.9
215.14334	2.7
217.10207	1.7
220.12436	1.8
221.13243	3.8
223.11177	4.0
223.14824	1.7
225.12776	5.1
227.14299	2.2
235.14861	2.5
237.12779	3.8
237.16383	2.5
239.14288	4.0
243.13776	2.9
245.13231	1.6
248.11873	2.7
249.16586	1.6
251.14232	1.5
253.15886	3.6
257.15283	2.2
263.14331	2.1
265.15826	4.8
267.17517	3.2
269.15259	2.9
274.04742	5.1
281.15372	8.1
283.16901	6.9
284.17761	2.4
285.18204	1.5
299.16406	39.8
299.19504	1.3
301.17969	44.5
302.04196	14.8
302.18561	9.1
303.19284	1.8
309.18387	2.5
311.19830	2.7
317.06503	16.9
319.19098	3.8
327.19431	7.0
329.21051	4.4
345.20569	54.0
346.20840	4.7
359.22113	2.6
363.21609	3.8
367.22708	2.2
369.20316	1.9
389.24722	2.6
407.25784	8.0
425.26862	27.0
443.27823	21.2
461.28864	24.2
479.11740	5.8
479.29221	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	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01866	10.4
55.05489	2.9
57.03418	3.4
57.07059	6.7
60.08154	3.4
67.05484	6.2
69.03419	13.3
69.07060	8.4
70.02922	6.2
70.67380	2.8
71.04946	1.9
72.04507	21.7
73.02915	12.1
74.02414	2.4
79.01810	2.6
79.05485	1.8
79.98743	1.6
81.03399	22.2
83.04965	6.7
85.02897	10.9
85.06535	7.5
86.09674	3.6
87.08092	3.5
90.05544	34.2
91.05462	3.8
95.04952	12.8
96.08116	1.9
97.02880	15.3
97.06506	1.7
98.02403	19.4
98.50732	1.5
99.04441	6.6
100.03958	7.7
103.03961	2.0
103.07556	2.8
105.07009	2.1
109.02864	31.5
112.07590	3.1
113.05985	6.4
115.03914	3.9
116.03445	24.7
117.05483	2.6
119.04905	2.0
120.35371	1.4
123.04433	3.3
124.07565	27.5
127.03910	14.4
129.17596	1.7
131.06999	2.5
132.06477	8.6
133.04909	3.0
137.02238	2.0
137.05975	5.6
138.05458	3.9
142.08627	21.8
145.04922	7.1
147.04405	7.7
149.06053	2.2
151.07526	3.6
153.01811	31.5
153.02904	1.8
155.07027	1.7
160.09665	6.3
163.03874	4.9
166.08604	5.3
167.03363	2.2
172.09682	4.8
174.11218	5.4
179.07008	27.7
181.04868	2.8
183.06578	2.3
184.09668	32.4
192.04051	1.5
193.08588	2.7
195.10013	1.7
198.07541	4.1
199.05966	4.5
201.09285	1.6
202.10713	100.0
203.11270	3.1
206.04375	3.1
211.09669	13.3
216.08609	7.1
217.06999	2.2
220.11787	22.9
225.07535	4.9
230.10214	14.1
233.07962	3.0
234.09674	12.5
244.11790	4.4
262.12888	17.3
282.13318	1.9
283.14197	4.9
301.11838	2.7
310.12866	11.6
318.86819	1.7
319.04312	2.0
328.13846	65.3
329.14023	2.9
346.14923	12.4
364.15973	27.7
480.14908	3.5
480.21933	7.3
481.13211	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	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
55.01864	11.2
57.03434	2.5
57.07071	7.2
62.06087	3.1
67.05502	6.1
69.03427	8.6
69.07055	10.1
70.02951	9.0
70.70404	3.4
72.04503	25.7
73.02904	12.6
77.33586	2.0
81.03407	19.3
83.04974	8.1
85.02914	10.4
85.06541	9.2
86.09686	3.4
87.08109	2.6
87.28047	2.2
90.05550	30.4
91.05526	3.1
93.47364	2.0
94.40368	2.4
95.04973	8.7
96.08147	3.5
97.02891	9.2
98.02409	19.8
99.04464	5.4
100.03963	9.8
103.07584	4.2
109.02869	29.9
109.11701	2.1
113.05992	6.9
116.03429	18.1
124.07570	24.4
127.03873	10.8
130.08635	2.8
132.06561	8.0
137.05923	3.9
138.05475	3.2
142.08636	17.2
145.04921	5.6
150.25926	2.4
153.01834	8.1
160.09669	6.3
161.05821	3.1
163.03839	2.3
166.08696	6.3
172.09656	3.5
174.11279	6.4
177.09096	2.3
179.07022	8.3
184.09673	40.7
198.07584	3.5
199.06015	6.2
202.10721	100.0
203.11421	2.4
211.09673	9.6
216.08710	5.7
220.11755	20.6
230.10190	14.1
234.09714	8.9
262.12817	24.0
280.19461	2.1
308.94904	2.2
310.12769	13.1
319.04388	10.2
328.13858	64.2
329.14398	2.5
344.07764	2.3
345.29578	2.4
346.15054	11.2
350.14343	2.9
364.15964	25.8
480.21988	2.1
481.13022	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62560	1.4
53.03934	6.9
55.01867	9.6
55.05507	7.5
57.03431	11.8
61.02918	8.2
67.05493	13.9
68.99778	4.0
69.03426	42.5
69.07061	14.0
69.23018	8.4
71.01350	1.6
71.04992	7.9
72.84094	1.3
73.02906	13.7
75.45747	1.3
76.20415	1.4
78.39818	1.5
79.05481	7.0
81.03413	31.5
81.07051	37.5
83.04978	3.6
83.08609	7.1
85.02898	100.0
85.06548	2.7
86.03267	1.3
87.00822	45.2
87.04485	2.1
88.38795	1.2
91.03949	3.2
91.05463	10.9
93.07039	9.5
95.04964	2.8
95.08598	42.3
97.02886	36.1
97.06536	7.9
97.10170	5.6
99.04453	16.7
99.08079	5.1
99.56884	1.4
105.01861	34.4
105.07036	13.4
107.08587	6.8
109.02872	32.8
109.06509	2.7
109.10156	6.4
115.03938	5.5
115.07552	2.6
117.01838	3.8
117.07027	1.9
119.08585	17.7
121.10112	7.5
123.08080	3.8
123.11713	6.3
127.03902	64.9
127.07511	2.7
129.01820	3.4
133.04921	2.1
133.10115	16.9
135.11688	10.7
137.05981	2.3
137.09659	2.0
137.13237	10.6
145.04968	22.7
147.02956	1.6
147.07988	1.5
149.09668	1.5
151.07530	6.2
151.11177	6.5
159.02866	15.5
161.13242	52.5
171.02861	1.5
179.14290	89.8
189.03838	2.0
197.15349	51.6
198.15814	1.7
213.04002	3.1
215.14709	1.5
215.16415	9.1
225.14937	2.4
231.04951	11.5
233.15184	2.4
249.06082	1.8
283.15469	2.0
287.16324	2.8
305.17477	8.7
323.18494	3.0
365.19489	2.4
391.17480	2.6
395.20453	4.0
400.50409	1.5
409.18634	8.3
427.19443	1.6
437.21304	6.8
481.20374	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	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.9
55.01862	11.6
55.05510	6.2
57.03432	24.4
61.02927	17.1
67.05500	11.4
69.03426	58.9
69.06703	6.1
69.07060	71.8
71.01331	6.5
71.04986	3.3
73.02914	88.3
79.05484	7.5
81.03419	19.7
81.07053	31.8
85.02402	6.8
85.02901	100.0
87.00823	4.0
87.04451	7.4
91.03924	3.0
91.05469	7.9
93.07038	8.7
95.04964	5.8
95.08609	15.4
97.02894	80.6
97.06526	5.3
97.10123	3.6
99.04462	5.0
100.11212	3.7
103.03938	4.1
105.07020	10.1
107.08569	10.5
109.02882	11.2
109.06474	3.8
109.10123	14.3
114.88510	3.1
115.03929	46.2
119.08598	4.8
121.10154	7.9
122.09602	3.7
123.08005	4.7
123.11709	87.1
125.09618	4.8
127.03911	33.5
131.08595	6.0
133.04961	48.8
133.10152	5.4
137.05957	11.1
137.09621	3.0
137.13249	6.5
145.04933	37.8
145.10081	5.5
151.11174	73.0
155.14288	5.1
159.11812	3.5
163.06032	13.0
169.12260	8.5
176.07045	3.7
197.05946	10.9
219.10117	6.7
223.05963	4.7
241.07068	6.8
283.15396	26.6
444.28061	3.5
480.20300	3.8
480.29440	4.7
480.40527	4.3
481.20557	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	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01869	3.5
55.05503	6.1
57.03428	8.4
59.05028	3.4
63.83412	2.5
67.05493	7.7
69.03424	16.6
69.07062	3.8
69.95086	2.8
71.05008	3.9
72.64158	2.2
73.02916	5.4
75.04480	3.8
76.85701	2.3
77.03899	2.7
79.05489	23.4
81.03421	14.6
81.07036	12.0
83.04965	4.9
85.02905	11.7
91.05466	23.2
93.07036	85.9
93.07605	5.2
95.04981	7.9
95.08591	6.3
97.02867	12.2
97.06517	4.6
99.04449	30.9
103.05455	3.0
105.07030	12.3
107.08581	22.8
109.02883	9.6
109.10162	3.7
110.52657	2.5
111.08070	4.6
113.01398	2.3
115.03911	2.6
115.05401	2.6
117.05473	12.5
119.08550	16.0
121.06528	4.1
121.09266	5.9
121.10134	100.0
122.10438	3.7
123.08105	3.3
123.11707	6.5
127.03918	7.0
131.08575	11.2
133.05000	4.1
137.05957	12.5
139.11134	5.6
145.10184	3.3
147.08115	2.7
149.09604	39.5
151.07571	3.9
151.11023	2.3
153.01825	2.9
159.08073	3.0
161.11819	2.2
167.10664	23.5
169.10014	2.6
169.12247	13.0
173.09741	3.9
197.13368	2.6
214.43945	2.3
261.58310	2.5
268.16150	2.8
283.15445	8.6
293.13849	13.1
302.18396	2.6
311.14966	24.2
312.15494	3.5
329.15866	2.5
416.29477	2.6
444.28143	5.2
480.18665	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.05506	14.4
57.03427	7.2
57.07070	10.3
67.05505	10.0
67.65950	1.3
69.07061	21.1
71.08640	4.0
79.05479	6.4
81.07040	11.5
82.22956	1.4
83.08617	14.6
91.05490	1.9
93.07046	7.5
95.08607	11.9
97.10174	9.3
107.08616	5.6
109.10146	5.1
111.11719	1.6
120.30368	1.5
121.10141	6.4
123.11716	2.8
135.11665	4.9
153.12677	1.7
157.19630	1.3
172.77037	1.4
182.47557	1.4
339.28906	100.0
340.29263	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	481.0973
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03939	0.6
55.01868	1.1
57.03419	0.9
61.02916	1.8
67.05455	0.6
68.99775	1.2
69.03416	4.7
69.07073	0.9
69.75253	1.9
69.75599	1.2
71.04976	1.3
73.31182	0.6
75.45419	0.6
79.05470	1.4
81.03410	3.3
81.07032	1.2
85.02896	8.8
87.04468	0.7
91.03943	0.8
91.05444	2.2
95.04971	1.0
95.08578	0.9
97.02900	4.1
99.04439	0.8
103.05415	1.2
105.07011	1.2
107.04929	2.6
107.08576	0.8
109.02856	3.1
111.00776	2.2
121.06426	0.9
122.03631	2.1
123.04473	0.9
127.03867	3.1
129.06972	1.0
131.04929	1.2
133.06474	1.7
135.04491	0.8
135.08035	1.0
137.02336	2.7
137.05960	22.3
139.03905	0.8
143.08524	0.8
147.04362	1.2
149.05922	1.0
151.03873	0.7
151.07512	2.5
153.01813	12.8
161.05963	6.8
161.09615	1.0
162.06712	0.8
163.07526	3.2
165.01825	2.7
166.02496	0.7
167.03354	1.0
167.07047	1.4
175.07491	1.3
179.03342	1.7
183.02821	1.2
189.05492	1.0
189.09065	3.3
194.07321	1.2
195.02809	1.1
207.08430	1.0
207.10077	4.8
210.06784	0.8
217.04951	4.0
221.05940	1.0
245.04468	4.8
253.08359	0.9
265.08618	2.3
267.10275	0.8
273.03912	5.0
285.11084	1.9
287.12863	1.9
290.04333	1.4
297.11151	2.6
301.03253	1.3
302.18140	1.0
313.14377	1.0
315.12222	2.4
319.04431	100.0
320.04700	4.1
331.15289	1.0
421.14148	1.2
444.28409	0.8
481.16501	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00756	0.5
57.53988	0.5
69.83484	0.8
69.83819	1.1
93.51447	0.5
95.05189	0.5
127.00036	0.8
149.05960	0.7
153.01790	0.6
158.04117	0.5
164.94142	0.5
167.03201	1.0
169.23807	0.5
177.05489	1.0
186.80052	0.6
215.06792	2.1
217.04674	1.4
227.05247	3.0
232.07050	16.2
232.09288	1.0
233.07811	9.9
265.89267	0.6
266.19305	0.5
271.04202	5.1
319.04385	5.0
352.37662	0.6
395.12985	5.1
419.12930	1.2
437.14172	38.1
438.14566	2.0
481.13135	100.0
482.13733	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	481.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42847	0.5
69.59589	1.5
69.59983	1.3
79.71902	0.6
80.76929	0.5
88.30463	0.6
91.79599	0.6
119.91591	0.5
137.05820	0.6
167.03169	0.8
184.04922	0.7
185.04224	0.7
215.06818	1.3
217.04749	1.1
227.05173	3.0
232.07051	10.7
233.07828	10.4
271.04236	4.0
395.13272	5.5
419.13138	0.8
437.14120	33.9
438.14661	2.0
481.13123	100.0
482.13480	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	481.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02373	1.1
53.03941	0.8
53.69574	0.2
55.01860	0.4
57.03420	0.4
60.19838	0.2
61.86605	0.2
68.68654	0.2
69.03423	3.8
69.57458	1.0
76.08719	0.3
79.01843	6.2
81.03409	4.5
85.02910	2.1
96.25341	0.3
97.02884	4.3
99.04424	0.7
101.82729	0.2
103.03893	0.3
105.41460	0.3
107.01308	2.3
109.02850	3.4
109.66214	0.3
112.60745	0.3
115.03900	0.3
115.05419	0.3
116.11481	0.3
117.06991	0.4
119.04942	0.4
123.00768	0.4
125.02331	4.2
127.03912	3.4
131.04893	0.9
133.02826	0.6
137.05960	5.3
139.03932	0.4
139.69884	0.3
139.93924	0.3
141.06973	0.8
142.44983	0.3
143.03380	7.9
145.04921	0.5
145.06525	0.5
147.04446	0.4
149.05959	0.9
151.03885	4.3
153.01807	100.0
153.02884	6.2
154.02124	1.5
160.05121	0.4
163.07529	0.7
165.05444	0.6
169.06471	0.8
171.02853	5.6
175.07521	0.9
177.05446	2.2
177.63071	0.3
179.07025	0.7
187.07541	0.7
191.07018	1.0
197.05925	0.7
201.09084	0.6
203.07047	2.1
205.08742	0.4
207.06587	0.4
215.06993	1.3
229.08598	2.7
233.08038	4.1
245.08038	0.6
247.09868	0.3
255.05060	0.6
257.08041	1.9
275.09106	0.9
293.10175	0.8
297.06003	5.7
315.07083	2.3
445.10910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.7
51.02362	0.8
53.03944	0.8
55.01876	0.4
66.11994	0.4
69.03426	3.8
79.01847	6.6
81.03417	5.7
85.02896	2.3
89.61159	0.4
95.04960	0.5
97.02881	4.9
98.23049	0.7
99.04499	0.7
107.01308	2.7
109.02888	3.1
115.05454	0.4
120.18616	0.5
123.04467	0.6
125.02328	4.3
127.03907	3.8
131.04912	0.9
136.07527	0.6
137.02333	0.6
137.05984	5.6
143.03383	7.0
147.04411	0.7
149.05969	1.0
151.03917	3.8
153.01816	100.0
153.02901	6.7
154.02153	1.5
163.07538	1.1
165.05457	0.6
167.03416	1.0
167.07082	1.8
169.01230	0.6
169.06461	1.0
171.02879	5.6
175.07520	1.1
177.05472	2.0
183.78255	0.4
185.06181	0.4
187.07582	0.8
191.07056	1.4
197.06027	1.0
203.07011	1.6
215.06950	1.0
229.08582	2.5
233.08020	3.8
245.08264	0.6
257.07980	1.5
275.09146	1.5
293.10251	0.8
297.06033	5.0
315.07019	2.4
319.04431	10.7
320.04892	0.6
356.40955	0.5
429.53802	0.4
481.09512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64115	0.6
60.39100	0.7
63.88442	0.7
69.24761	2.0
69.25153	1.0
74.85785	0.7
79.61967	0.8
81.07086	0.9
85.02892	1.1
95.04952	1.1
109.02890	0.7
116.15771	0.6
119.19305	0.6
121.02856	1.4
137.02338	2.4
137.06007	0.7
143.03354	0.7
149.05952	5.1
151.03891	5.2
151.04950	0.9
153.01855	5.2
153.02972	1.0
157.04945	0.8
167.03365	7.2
167.07043	0.7
169.01321	3.1
169.04849	0.6
177.05476	7.9
185.04253	1.3
209.06108	0.7
215.06853	2.7
217.04802	2.4
227.05315	2.4
232.07048	18.2
233.07780	10.3
245.04492	1.0
271.04236	5.6
273.04071	0.8
273.11115	0.8
301.03467	0.8
301.10751	1.8
319.04456	33.5
395.13190	4.0
437.14188	35.6
438.14740	1.5
481.13193	100.0
482.13464	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57065	0.5
69.14514	3.3
77.97803	0.7
81.07009	0.5
85.02926	0.8
100.82112	0.6
108.41101	0.5
123.42285	0.5
153.01819	2.5
167.03320	1.1
185.04254	0.7
210.82887	0.6
215.06776	1.0
217.04774	2.5
227.05266	2.7
232.07074	10.1
233.07831	11.3
271.04224	4.7
319.04443	2.6
367.91995	0.7
377.12125	0.7
395.13153	5.4
419.12964	1.0
437.14166	35.4
438.14520	1.6
454.59967	0.6
470.01782	0.6
481.13135	100.0
482.13434	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	481.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
67.05466	0.5
69.03413	3.5
69.07055	0.5
69.51221	1.4
70.03732	0.6
79.05483	0.8
81.07047	1.4
83.04971	0.6
84.54893	0.5
85.02912	2.1
91.05477	0.8
93.07025	1.4
95.04975	0.6
95.08592	1.1
96.82304	0.4
97.02885	0.9
98.22712	0.5
105.07024	0.7
107.08577	0.8
109.10164	0.7
113.03676	0.4
115.07449	0.4
121.06482	0.6
121.10133	0.8
123.11707	0.8
127.03899	2.1
128.04202	0.5
131.08565	0.6
137.05951	1.8
144.63780	0.4
145.04959	1.7
145.10143	0.4
153.01833	1.3
173.13219	0.7
185.04221	0.5
201.12669	0.5
227.05373	0.8
230.39888	0.5
233.15112	5.3
258.73816	0.4
271.04337	1.7
275.16150	1.0
284.15662	0.6
313.06909	0.5
377.19244	1.2
395.20370	11.8
396.21317	0.8
419.09476	0.6
419.20456	2.0
433.83682	0.5
437.21420	34.5
438.21777	2.1
463.19464	0.7
481.20407	100.0
482.20758	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	481.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03939	5.1
55.01868	7.2
55.05511	22.3
57.03437	10.5
63.20829	1.2
65.03931	5.0
67.05501	74.0
67.05864	3.6
68.05809	1.6
69.03434	10.1
69.07062	23.9
71.04989	13.0
73.02891	1.4
73.06564	1.3
77.03934	1.4
79.05489	39.6
81.03411	52.3
81.07053	72.7
82.07359	1.8
83.04977	17.8
83.08614	19.9
85.02897	26.3
85.06545	9.6
91.05473	73.3
92.05793	1.5
93.07040	32.5
95.04416	2.1
95.04964	27.4
95.08598	12.3
97.02882	3.1
97.06522	7.4
97.10141	2.9
99.04452	5.2
99.08073	2.2
105.04527	1.9
105.07024	69.8
106.07380	2.5
107.04948	5.5
107.08585	44.6
109.06501	11.0
109.10144	80.4
110.10430	1.6
111.04469	3.3
111.08070	10.0
113.06000	7.5
115.05457	1.9
117.06990	3.2
119.04935	1.8
119.08583	20.6
121.06505	1.6
121.10112	7.9
123.08056	4.2
123.11702	14.5
125.09606	2.2
127.07558	4.5
129.06989	10.6
129.12738	3.7
131.08568	12.4
133.06514	2.7
133.10120	100.0
134.10455	1.7
135.11664	2.3
137.09657	1.9
142.07816	2.1
143.08537	1.5
145.10071	3.0
147.08060	2.7
147.11694	11.2
149.09613	5.0
151.11171	59.9
152.11516	2.3
153.12813	1.3
157.10098	11.2
161.09637	2.9
163.11169	2.2
165.12750	3.2
169.12234	13.9
175.11176	9.8
179.10600	2.3
193.12225	48.3
194.12532	1.7
211.13277	50.5
212.13646	1.8
214.80005	1.4
215.12788	6.4
247.88055	1.3
253.14334	62.4
254.14713	3.0
267.15881	5.7
271.15439	3.7
273.66882	1.6
303.57156	1.3
311.44824	1.5
463.27103	6.8
481.27914	63.5
482.28363	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	481.3156
Annotation	5alpha-20-Hydroxyecdysone
Peak:m/z	Relative Intensity
55.05502	8.3
67.05502	15.9
69.07061	76.4
69.36127	16.1
71.04997	3.6
72.62982	3.3
79.05479	18.0
81.07043	69.8
88.55117	3.0
91.05473	12.5
93.07040	25.3
95.04964	18.2
95.08598	9.8
97.06512	24.0
97.10173	4.9
99.08081	24.0
104.72610	3.0
105.07034	18.7
107.08577	43.0
108.91798	3.2
109.06512	9.4
109.10147	9.2
113.09703	3.4
117.07028	7.5
118.81366	3.4
119.08556	14.0
121.06513	7.1
121.10154	4.5
123.08036	28.6
123.11666	4.9
125.09623	37.1
127.11199	6.9
129.06982	5.1
131.08560	11.7
133.10127	12.4
135.07967	4.1
135.11674	9.2
143.08578	8.8
143.10675	11.5
145.10114	26.1
147.08046	8.9
147.11716	7.1
149.09653	5.7
154.07744	3.9
155.08604	8.7
157.10095	7.8
158.07246	3.6
159.08076	6.8
159.11717	12.0
161.09628	7.3
165.12735	100.0
169.10094	6.4
171.08080	7.3
173.09613	25.3
183.11803	4.8
185.09650	6.5
185.13193	5.5
187.11211	12.9
189.09193	4.2
191.10695	10.0
195.11681	8.8
196.46568	3.1
197.13234	4.8
199.14862	3.8
205.12361	5.0
209.13324	6.1
213.12695	4.4
215.14212	4.5
225.12746	5.3
227.14366	5.0
231.13831	9.7
237.16496	4.6
255.17435	5.7
265.15887	9.3
283.16965	13.2
285.18533	4.1
295.20526	6.6
301.18015	12.8
303.19580	12.9
313.21616	6.8
319.18832	9.1
347.22107	5.3
353.20947	7.0
371.22119	93.8
391.26553	4.6
409.27115	17.5
412.17572	3.7
427.28421	50.3
428.28653	5.2
445.29416	99.2
446.29590	5.5
463.30539	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	481.3161
Annotation	5alpha-20-Hydroxyecdysone
Peak:m/z	Relative Intensity
52.78770	1.3
55.05506	5.1
60.73346	1.2
65.03915	2.4
67.05500	9.6
69.03431	2.4
69.07067	46.8
70.77696	1.9
71.04976	1.9
79.05480	12.0
81.07053	42.0
83.04972	4.0
83.08607	1.4
85.06563	1.9
91.05479	10.0
93.07042	15.2
95.04960	13.4
95.08607	8.2
96.76104	1.3
97.06522	13.5
97.10149	1.9
99.08089	10.9
105.07030	12.8
107.08583	26.5
109.06500	5.7
109.10146	5.7
111.08071	1.7
117.07014	5.2
119.08578	9.0
121.06496	5.0
121.10138	5.1
123.08060	17.6
123.11715	3.2
125.09615	18.5
127.11178	5.9
129.06979	2.5
131.08572	10.1
133.06494	2.8
133.10117	5.1
135.08049	4.9
135.11700	6.4
137.05086	1.3
137.05949	8.4
137.09619	1.3
139.11177	1.5
143.08568	6.5
143.10648	6.5
144.09323	1.5
145.06483	2.3
145.10121	14.8
147.08051	6.5
147.11691	5.6
149.09631	2.5
149.13251	3.1
151.07549	1.4
152.49411	1.6
153.01793	2.0
155.08536	6.9
157.10133	5.3
158.07268	1.5
159.08037	4.6
159.11699	6.0
161.09627	5.3
161.13252	3.2
163.11128	2.5
165.06950	2.5
165.12738	57.2
167.08478	1.7
169.10129	5.3
171.08044	4.7
171.11684	4.1
173.09612	16.8
173.13255	1.9
175.11200	2.7
177.12749	2.5
179.08452	1.5
179.14355	2.5
181.10208	1.9
183.11731	3.1
185.09692	2.7
185.13188	2.9
187.11198	5.8
189.09108	1.8
191.10703	8.1
193.10150	2.1
195.11722	2.9
197.13274	5.3
199.11191	2.6
199.14792	1.8
201.12677	2.5
205.12233	3.2
207.11720	2.1
213.12712	3.0
215.14366	4.3
219.13884	2.2
223.14786	2.0
225.12752	3.9
229.12483	1.3
231.13843	3.2
235.14790	1.5
237.16412	3.1
241.15848	1.9
249.14705	2.5
255.17386	2.8
265.15848	5.0
273.18384	2.0
283.16959	6.5
285.18494	3.0
293.18915	2.1
295.20490	2.6
296.53409	1.7
297.98822	1.4
301.17987	8.2
303.19608	9.6
309.04749	1.5
311.19803	2.5
313.21619	3.7
319.18985	4.4
329.21039	2.2
331.22568	3.3
335.19977	2.1
347.22296	2.4
353.21042	6.1
371.22137	66.1
372.22470	4.6
391.26318	2.3
409.27350	12.0
427.28403	37.2
428.28833	2.1
445.29462	100.0
446.29828	5.9
463.30588	11.7
481.16852	1.7
481.31552	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	481.3159
Annotation	20-Hydroxyecdysone
Peak:m/z	Relative Intensity
55.01871	2.3
55.05496	14.9
57.07072	3.0
62.64630	1.8
65.05911	2.4
65.16196	1.9
67.05504	19.1
69.03427	3.8
69.06709	4.2
69.07063	58.5
69.07433	2.9
69.84950	4.5
69.85311	3.9
71.04986	3.9
73.06550	18.0
77.03938	1.8
79.05486	22.5
81.07047	48.1
83.04968	4.0
83.08577	2.6
85.06528	5.0
87.61777	2.0
91.05463	21.3
93.07035	30.0
94.09336	2.0
95.04948	16.3
95.08592	20.0
97.06516	33.9
97.10139	5.0
98.22741	3.2
98.23288	4.7
99.08093	11.1
105.03356	2.5
105.07012	27.4
107.04965	4.6
107.08585	47.0
109.06530	12.2
109.10148	11.6
111.08045	7.1
113.35546	1.9
115.05443	2.6
117.07015	10.9
119.04930	2.8
119.08567	16.1
121.06500	12.7
121.10114	15.0
123.08056	41.7
123.11674	6.2
125.09615	45.6
127.11169	2.2
129.06989	6.4
131.08560	25.9
133.06487	7.9
133.10109	14.2
135.08046	8.0
135.11688	8.8
137.05963	16.7
137.09616	3.6
138.06303	2.3
141.07022	2.2
142.07770	3.6
143.08545	12.1
143.10641	11.3
145.06479	4.9
145.10117	30.9
147.08046	10.2
147.11617	9.8
149.09608	7.8
149.13260	2.6
151.07518	4.3
153.01781	3.0
153.06866	2.0
155.08540	9.2
157.10083	12.7
158.07286	3.5
159.08025	10.8
159.11670	20.6
161.09586	14.6
161.13257	4.3
163.11115	4.5
165.12741	27.4
169.10141	10.6
171.08076	11.3
171.11688	5.6
173.09605	42.1
173.13246	8.2
175.11168	7.5
175.14771	3.2
177.12764	5.5
179.14313	5.5
180.73027	2.2
181.10110	6.5
183.08043	3.6
183.11667	8.5
185.09607	5.6
185.13228	7.0
187.11168	15.5
187.14819	3.1
189.09129	7.1
189.12706	3.4
191.10629	17.4
191.14297	3.1
195.11668	7.4
197.09595	2.3
197.13271	8.1
199.11220	5.7
199.14700	4.4
201.12660	4.7
203.10704	3.1
203.14265	3.7
205.12228	3.2
207.11646	2.6
208.12611	2.3
209.09557	2.3
209.13277	5.7
211.11066	3.2
211.14764	2.6
213.12708	8.5
215.14265	14.1
219.13852	6.8
221.13301	3.3
223.11247	2.6
223.14818	3.8
225.12772	8.8
227.14339	5.7
231.13834	8.5
233.15300	5.0
237.16428	5.6
239.14441	3.3
243.13753	4.5
247.15120	3.3
249.14668	22.0
253.15845	2.6
255.17473	5.0
265.15997	12.0
265.18622	2.5
267.17407	2.7
269.19058	2.6
283.16873	20.4
284.42084	2.6
285.18393	5.8
293.19055	5.4
295.20505	12.5
301.17932	10.7
303.19553	3.7
311.19974	7.5
313.21661	6.8
319.19360	6.0
321.18332	2.9
329.21030	7.2
331.22604	7.8
335.19980	2.8
337.21649	7.3
339.19476	4.3
343.22876	3.3
347.22385	4.0
353.20990	5.5
355.22543	12.4
357.20493	4.9
359.21854	2.6
369.24249	2.7
371.22134	80.2
372.22330	3.7
373.23651	35.6
387.15390	2.2
391.25873	7.4
409.27365	18.9
427.28403	84.8
428.28516	2.8
445.29443	100.0
446.29684	8.3
453.02350	2.2
463.30264	6.7
471.36578	2.3
481.16406	3.2
481.31552	3.6
506.54291	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08370	1.1
53.03935	1.3
55.01852	2.4
55.05502	9.0
58.09153	1.4
59.86676	1.3
60.21415	1.3
64.94590	1.0
65.03940	2.3
67.05496	27.8
68.54627	1.1
69.03414	2.1
69.07062	37.7
71.04990	5.8
79.01827	1.5
79.05480	12.9
81.03419	1.8
81.07050	38.9
83.04976	2.8
83.08595	2.4
85.06532	3.1
91.05474	13.4
93.07033	22.0
95.04967	16.1
95.08604	25.7
97.02888	2.1
97.06525	7.7
98.23154	1.2
99.04477	4.3
99.08096	7.1
105.07021	17.0
107.04958	2.1
107.08591	25.0
107.11398	1.3
109.02869	1.6
109.06507	5.3
109.10147	100.0
111.04430	1.8
111.08065	4.3
115.05470	1.5
117.07007	4.1
119.04934	5.9
119.08580	11.9
121.06509	6.9
121.10136	15.0
122.03631	2.1
123.04420	3.5
123.08070	7.4
123.11700	3.2
125.09663	8.7
127.03948	1.5
127.11179	20.2
128.06230	3.1
129.07002	5.0
131.04906	1.8
131.08543	14.2
131.58322	1.4
133.06473	2.2
133.10129	10.1
135.04387	3.5
135.08037	4.2
135.11676	6.4
136.80690	1.4
137.05965	23.2
141.07045	1.6
143.08586	12.2
143.10703	5.3
145.06477	4.0
145.10146	10.1
147.08051	10.6
147.11699	4.4
149.05975	1.5
149.09625	8.5
149.13235	6.0
151.07581	2.2
153.01796	16.5
153.02911	1.7
155.07175	1.4
155.08537	3.8
157.10136	5.4
159.07997	6.7
159.11653	6.8
161.09624	10.7
161.13261	6.0
163.07474	1.8
165.06976	1.9
165.12753	5.7
168.09264	1.8
169.10155	5.3
171.06659	2.8
171.08008	10.7
171.11702	5.9
173.09596	17.5
173.13307	3.1
175.07593	1.8
175.11185	5.4
177.09172	1.9
177.12805	2.7
179.08537	1.6
179.14342	7.9
181.10091	5.6
183.06528	6.1
183.07976	2.9
183.11646	6.3
185.09641	5.9
185.13280	5.4
187.11224	5.6
189.09067	13.8
189.12686	6.3
191.10680	4.5
193.10196	2.0
195.11714	5.4
197.09572	2.8
197.13275	4.6
199.11198	8.5
199.14789	2.9
201.12643	3.3
203.10651	4.1
203.14226	2.5
204.75439	1.5
205.10199	1.6
205.12180	3.2
207.06555	1.3
207.10172	4.8
207.11859	1.9
209.13235	4.1
211.11203	4.2
213.12744	10.9
213.16400	1.8
215.10699	3.3
215.14236	4.5
217.12334	2.0
221.13252	3.3
222.10509	1.4
223.11240	2.9
223.14850	3.9
225.12747	3.8
225.16513	1.6
227.14333	3.4
229.12254	2.7
231.13759	17.4
235.14873	2.7
235.88466	1.2
237.16417	3.7
239.10437	1.6
239.14207	2.3
239.17911	2.0
241.15866	3.0
243.13882	1.5
247.13132	1.6
253.15602	2.8
255.13766	1.6
255.17380	1.9
257.15289	3.2
257.19104	1.7
259.13184	1.8
265.08578	1.9
265.15884	5.7
267.17395	4.6
271.16937	3.0
281.15289	2.3
283.16879	14.0
285.11279	2.4
285.18503	8.7
295.17294	1.6
295.20590	3.3
297.11304	2.5
299.16571	1.6
301.17917	5.5
307.20795	1.6
309.18661	2.7
309.21863	2.5
311.20197	2.5
313.21555	3.1
317.19135	1.5
319.18869	1.8
323.20007	2.6
325.21140	1.6
327.23022	8.2
335.19940	9.0
341.21011	1.9
351.23257	4.3
353.21063	20.8
367.26382	4.6
369.24017	2.3
371.22021	7.4
373.25360	2.2
381.27710	2.7
387.25214	1.6
389.23172	3.1
391.26288	18.8
409.27344	48.7
410.27835	3.7
427.28400	48.4
428.28558	1.6
445.29443	30.1
446.29825	2.8
463.30588	14.2
481.16629	31.4
481.31558	55.0
482.17545	2.1
482.31360	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3159
Annotation	5alpha-20-Hydroxyecdysone
Peak:m/z	Relative Intensity
55.01869	2.1
55.05512	7.5
56.16599	1.5
57.02043	1.6
57.03428	2.6
65.03941	1.7
67.05502	12.5
69.03445	2.0
69.07061	55.2
69.33022	2.6
69.33427	6.4
71.04971	2.6
78.76247	1.3
79.05482	14.6
81.03417	3.0
81.06569	3.3
81.07047	53.6
83.04971	4.7
85.02918	2.6
85.06551	2.2
91.05468	11.9
93.07035	19.2
95.04943	14.0
95.08606	12.9
97.06522	18.1
97.10155	3.6
98.23434	3.6
99.08077	20.7
105.07022	18.6
107.04948	2.2
107.08582	33.5
109.06506	9.5
109.08231	1.4
109.10164	8.3
111.08089	3.9
117.07027	6.8
119.08548	9.0
121.02925	1.4
121.06482	7.9
121.10123	8.0
123.08060	21.5
123.11716	2.9
125.09616	28.5
127.11193	7.6
128.06270	1.6
129.06979	2.8
131.08551	11.1
133.06494	3.0
133.10080	7.9
135.08070	4.5
135.11678	8.6
137.05962	6.8
137.09634	4.6
143.08597	7.4
143.10670	4.4
145.06442	2.9
145.10115	20.2
147.08057	6.2
147.11664	10.4
149.09616	3.3
153.01810	2.7
154.07716	1.7
155.08571	3.6
157.10114	6.5
159.08025	5.4
159.11673	9.6
161.09628	6.5
161.13330	3.9
163.11189	2.4
165.12740	72.0
167.03297	2.0
168.09372	1.9
169.10136	6.2
171.08035	5.7
171.11673	5.9
173.09616	23.6
173.13266	4.4
175.11214	1.7
175.14850	2.0
177.12720	3.5
177.37881	1.5
179.14268	3.1
180.09264	1.5
181.10172	3.5
183.11696	5.0
185.09651	3.3
185.13312	3.4
187.11142	7.6
187.14798	1.9
189.09065	3.3
189.12689	2.0
191.10646	11.2
195.11726	4.6
197.13289	4.5
199.11127	1.6
199.14839	3.0
201.12743	2.9
203.14488	1.7
205.12257	2.4
207.11732	1.8
209.13321	3.1
211.11235	2.2
211.14702	1.9
213.12793	4.2
215.14250	7.7
223.11122	2.0
223.14908	3.8
225.12741	5.7
227.14264	2.4
229.12135	2.0
231.13760	5.8
233.15399	1.8
235.15080	1.6
237.16467	3.2
239.14339	1.7
243.13820	2.1
245.15231	1.7
249.14813	5.8
255.17374	4.5
265.15854	8.3
267.17407	2.6
277.19543	1.9
283.16840	8.9
285.18399	2.3
295.20538	3.9
301.18024	12.1
303.19525	9.9
311.19992	4.7
313.21582	4.7
319.19061	5.9
329.20972	2.5
331.22595	5.4
335.20178	2.9
347.21960	3.9
349.06906	2.0
353.20990	5.2
359.22256	2.0
371.22141	76.9
372.22476	5.1
377.23273	1.8
379.08392	2.4
391.26248	5.4
397.09222	1.8
409.27426	14.2
427.28406	42.0
428.28583	3.2
433.09280	1.9
445.29449	100.0
446.29489	5.5
463.30588	7.6
481.11182	3.4
481.17343	5.0
481.31363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3161
Annotation	20-Hydroxyecdysone
Peak:m/z	Relative Intensity
53.03953	3.6
55.01853	3.2
55.05514	10.4
67.05500	10.3
69.03439	3.0
69.07066	54.1
70.55391	3.3
71.04996	3.7
79.05489	27.9
81.07053	93.3
82.79321	2.6
83.04960	2.7
83.08603	3.1
91.05476	23.9
91.48919	2.5
93.07053	28.0
95.04983	8.0
95.08614	17.1
97.06522	18.1
99.08089	28.5
103.99973	3.5
105.07013	24.9
107.04948	5.6
107.08591	54.3
109.06497	13.2
109.10195	7.5
111.08115	3.7
117.06995	6.6
119.04922	3.6
119.08586	9.9
121.06518	7.1
121.10142	10.2
123.08055	42.1
125.09629	87.8
126.09892	3.6
127.11180	5.2
128.06224	7.4
129.07022	10.0
131.08574	19.9
133.04922	3.2
133.06479	4.1
133.10100	13.9
135.08087	8.8
135.11691	5.9
137.05971	9.2
137.09511	3.2
141.06992	8.5
143.03452	4.0
143.08545	14.9
143.10666	35.8
145.06514	6.4
145.10136	17.6
147.11707	8.5
149.13217	4.8
153.01826	19.1
155.08582	12.0
157.06459	10.0
157.10132	8.2
158.07338	4.3
159.08083	21.4
159.11702	9.8
161.09612	25.0
161.13271	3.7
165.07022	5.4
165.12691	3.9
166.07771	2.7
167.03421	14.0
169.10130	9.3
171.08032	7.6
171.11711	6.7
173.09612	29.8
173.13278	5.6
175.11177	5.8
175.14784	3.4
177.09091	3.5
177.12770	3.9
179.08595	3.9
179.14331	7.6
181.10150	9.5
183.08214	5.0
183.11742	11.0
185.09666	9.3
185.13243	6.6
187.11195	7.8
191.10674	10.1
195.11734	11.5
196.08887	3.0
197.09607	6.0
197.13268	6.2
198.10239	3.2
199.11234	14.2
199.14853	3.8
201.12752	12.1
207.11641	5.2
209.13278	4.3
210.22032	2.6
211.11215	9.5
213.12686	15.0
215.14261	3.0
221.13380	3.9
223.11278	3.7
223.14841	5.2
225.12772	5.4
225.71321	2.7
227.14354	4.3
229.12260	7.1
231.13814	16.1
235.14894	3.8
237.12726	3.9
237.16376	5.8
239.14301	5.6
239.18051	7.2
244.07872	3.2
247.13077	6.2
249.14748	20.8
250.16608	3.1
251.14365	4.1
253.15872	14.6
253.19496	3.0
255.17509	9.1
262.02991	3.0
265.15955	7.4
265.19604	2.9
267.17386	5.7
281.18927	5.7
283.16977	9.2
285.18472	25.5
286.19107	3.1
293.19110	4.7
295.20465	6.1
301.17999	11.1
303.19507	100.0
304.19873	4.0
311.20059	7.7
313.21524	7.8
323.20319	5.9
323.23834	3.1
329.21173	22.1
331.22842	3.9
341.20981	5.2
347.22345	4.8
353.21088	18.1
371.22159	71.2
372.22339	4.2
379.26111	4.3
391.26389	8.9
409.27332	32.0
427.28394	64.7
445.29041	3.0
481.17743	25.9
481.31244	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	482.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20989	0.2
63.03760	0.2
67.05495	0.5
67.91775	0.2
69.03426	0.4
69.07066	0.5
77.32933	0.2
79.05472	1.0
80.05016	0.3
81.03390	0.5
81.05782	0.6
81.07055	1.1
82.06551	0.2
83.04930	0.2
91.05466	0.4
93.07016	0.7
94.06555	1.5
95.04955	0.3
95.08600	0.8
97.06515	0.3
102.88784	0.2
105.07008	1.3
106.06538	1.7
107.07324	9.3
107.08524	0.4
109.06524	0.2
109.10119	0.8
119.08589	0.2
120.08074	0.6
121.08908	1.2
121.10098	0.4
122.06005	0.3
122.09652	9.5
131.08594	0.2
135.06775	3.4
135.11667	0.2
136.07016	0.2
137.05984	0.5
138.06218	0.3
145.10112	0.3
150.09122	100.0
151.09476	2.3
153.01801	1.4
154.02170	0.2
168.10199	2.0
273.18567	0.2
285.16559	0.2
330.15643	0.3
356.23096	0.2
392.22156	0.3
410.27750	0.2
427.13724	0.2
427.28326	0.2
428.28543	0.3
453.22067	0.2
482.21698	0.5
482.29535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88441	2.0
55.01852	2.7
57.03413	2.2
57.51808	2.2
57.81158	2.0
60.40941	1.9
63.24773	1.9
65.56964	2.1
69.03423	4.0
70.06573	2.5
70.76134	3.8
78.49599	1.9
79.05487	5.1
79.97222	2.1
81.03410	3.6
81.07055	3.4
85.02890	7.1
86.09715	2.2
91.05478	22.2
93.07031	2.8
95.04972	4.8
97.02900	2.6
103.05471	14.3
105.03364	3.3
105.07039	13.7
106.97398	2.0
107.04942	33.8
109.06482	3.2
115.05402	4.9
117.06960	4.2
119.04948	23.7
121.06504	5.7
122.03605	6.2
128.06293	2.8
129.06924	4.8
131.04935	14.5
131.08569	5.1
133.02898	2.2
133.06480	6.1
135.08058	8.6
137.05968	100.0
138.06306	8.4
145.06438	2.7
146.07260	3.8
147.04385	19.1
148.05209	2.7
149.05972	7.5
150.06740	2.8
151.07532	53.5
153.01842	15.9
157.06499	5.2
161.05962	82.2
161.09613	16.6
162.06711	12.7
162.19493	2.4
163.07532	52.1
165.01796	2.2
165.09029	2.1
167.07129	3.5
167.08513	4.1
170.96510	2.0
174.06758	3.6
175.07542	9.0
177.09102	3.9
178.00795	1.9
179.07004	6.1
181.08582	15.0
189.09099	52.2
189.27228	2.1
190.09435	1.9
193.03215	11.9
193.06473	3.8
195.08034	4.7
207.10150	85.5
209.09676	2.7
217.08372	2.6
219.10049	7.0
221.06071	3.7
221.09525	3.5
223.07574	3.2
227.10678	8.7
249.09026	2.5
253.08629	6.1
253.12213	4.3
255.10110	7.2
255.75952	2.5
265.08557	2.6
281.11710	4.0
285.11200	9.7
287.12784	30.5
297.11087	4.0
298.11871	2.3
299.12674	3.7
311.12787	14.9
313.14346	31.0
319.04547	19.7
320.04800	42.5
321.04715	3.1
331.15369	33.1
331.99722	2.1
343.15497	6.0
392.66965	2.4
472.89410	2.3
483.14618	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	482.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18447	2.4
57.03430	3.1
65.28566	2.8
69.03429	4.4
69.05669	2.4
69.19331	8.8
69.19736	6.2
70.06563	5.2
79.05480	8.0
81.03421	6.4
81.07012	3.4
85.02885	10.5
85.43739	2.5
91.05469	24.3
94.04204	3.0
95.04954	5.7
95.08631	2.3
96.26720	2.9
103.05446	18.1
105.04466	2.6
105.07026	14.0
107.04941	39.4
107.08619	3.6
109.06535	3.3
115.05426	6.2
117.07022	3.3
119.04897	19.5
121.06509	6.2
121.69588	2.9
122.03609	5.7
129.06989	6.9
131.04901	17.8
133.02858	2.8
133.06477	5.7
135.08054	9.9
137.05959	100.0
138.06329	6.7
147.04372	17.4
149.05986	7.6
151.07513	50.3
153.01797	21.6
157.06447	5.6
161.05954	87.5
161.09613	18.4
162.06700	11.7
163.07536	43.5
167.08493	3.0
174.06758	4.1
175.07526	10.0
177.09196	3.6
179.07018	8.1
181.08598	12.9
186.50430	2.7
189.09085	51.7
193.03185	8.1
193.10124	2.9
193.12221	2.6
195.08018	6.9
199.34328	3.1
205.97644	2.8
207.10129	79.7
210.06729	2.8
219.10124	9.6
221.06026	4.8
221.09560	3.6
223.07428	3.6
224.08385	3.5
225.09026	4.6
227.10634	6.8
230.51285	2.9
253.08478	3.5
253.12173	7.0
255.10184	10.8
265.08386	4.7
267.10031	5.3
267.15573	3.7
277.30865	3.1
281.11597	4.0
285.11160	8.9
287.12683	32.0
297.11246	7.1
299.12827	5.9
311.12830	16.8
313.14334	25.9
316.12598	4.4
319.04501	21.8
320.04810	38.1
321.05194	3.9
325.14294	4.0
331.15353	30.9
343.15353	5.8
482.16818	5.0
483.14566	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	482.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01876	3.0
56.42569	1.4
57.03434	2.8
59.04996	3.8
67.05502	3.0
69.03422	11.4
70.06562	2.2
71.04987	19.6
79.05487	51.6
81.03413	28.1
81.07055	11.8
83.04970	4.3
85.02895	15.2
87.00828	6.7
90.05544	1.9
91.05476	6.4
93.07054	6.3
97.02879	4.7
97.06526	4.6
99.04449	2.7
103.05508	2.0
105.01875	1.9
105.07039	6.5
107.04349	2.0
107.04945	9.8
107.08591	76.1
109.02883	5.6
109.06516	25.9
111.04436	1.8
117.07018	3.0
121.06482	13.7
125.09653	5.4
127.03911	8.0
127.07545	76.5
131.04968	2.1
135.08043	15.3
135.23688	1.6
137.05954	11.2
138.06284	2.7
149.09671	11.2
151.07515	3.2
153.01814	7.6
153.09099	74.3
153.23308	1.8
157.29674	1.9
161.05992	6.4
163.07535	4.9
167.10678	20.6
171.11896	1.8
172.42871	1.8
185.11723	100.0
189.08961	3.7
199.13342	4.6
207.10028	2.5
208.55934	1.9
213.03943	4.4
217.14343	40.9
220.11771	2.8
231.05168	2.1
287.12732	2.3
331.15463	2.2
441.96411	1.9
482.26544	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.4
57.03442	13.2
57.53241	2.5
59.04992	3.2
67.05492	5.3
69.03420	27.9
69.07056	5.8
70.06586	47.6
71.04990	5.3
73.02893	2.6
79.05482	4.2
81.03408	7.0
81.07043	10.1
83.04966	3.6
83.08626	3.7
85.02905	22.8
87.04465	16.8
87.78909	2.8
91.05462	5.7
93.05106	3.0
93.07038	26.5
95.04957	3.0
95.08611	15.0
97.02886	32.7
97.06535	21.5
105.07032	6.6
107.08582	27.9
109.02881	6.5
109.06501	3.6
109.10128	16.5
111.07961	2.6
112.07601	38.3
115.03925	32.9
119.08568	4.9
121.10080	3.3
127.03897	6.1
133.04951	32.2
133.10164	2.8
135.11694	33.9
137.05956	4.1
139.08273	2.7
140.07022	22.9
145.04936	6.9
145.10170	3.3
153.01837	3.7
153.12732	100.0
167.21021	2.7
171.11621	3.6
171.13788	74.6
184.07138	4.1
207.78542	2.9
284.11047	3.2
285.16907	5.3
446.29465	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	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02209	7.8
57.03426	28.5
59.04982	12.9
69.03415	84.7
69.18801	47.7
72.54193	7.2
74.98477	7.1
79.05476	17.0
80.07447	7.2
81.07037	37.1
83.05000	10.1
83.27965	6.6
85.02891	46.9
87.04446	45.2
91.05457	24.7
93.07028	78.1
95.04910	8.4
95.08594	26.6
97.02873	56.1
100.17544	6.7
103.05457	10.6
107.04936	14.9
107.08576	93.8
109.10159	10.9
115.03912	87.7
115.94686	7.6
121.06493	8.4
125.02345	9.4
127.03900	20.2
131.04892	13.8
133.04938	100.0
135.11665	53.1
137.05954	65.2
145.04865	9.9
147.04422	12.5
151.07561	15.8
153.01851	14.4
153.12784	7.5
155.03355	17.4
161.05949	38.5
163.07507	24.8
169.03201	13.2
175.07564	9.5
179.07088	8.9
189.09087	24.1
191.06992	6.8
207.10129	25.6
259.08075	8.9
298.46182	7.4
311.07239	9.1
313.08829	8.0
372.22137	7.8
380.80258	9.8
482.17526	14.3
483.17612	12.7
489.13058	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93419	3.0
55.05507	10.6
57.03434	7.9
58.98157	2.8
67.05498	11.0
69.03416	3.2
69.07049	10.8
69.59932	10.5
71.04973	3.3
78.94960	3.2
79.05495	16.8
81.03405	37.6
81.07055	19.3
83.04974	7.6
83.08600	10.6
85.02891	13.9
91.05478	18.1
93.07036	10.7
95.04958	18.7
95.08587	7.5
97.30193	3.3
99.08009	3.2
105.07027	8.6
107.04974	4.6
107.08579	8.0
111.08047	6.9
119.08586	12.7
123.08068	6.5
125.09622	6.3
129.06981	8.2
131.08568	5.5
131.43570	3.5
133.10132	8.9
145.10219	3.2
147.08052	3.7
147.10582	2.9
147.11691	13.0
149.09607	4.9
157.10155	8.4
161.03764	3.3
165.12767	6.6
166.75858	2.7
166.95895	3.6
173.03374	2.6
175.11108	7.3
193.12221	33.9
211.13235	24.9
248.43300	2.7
267.15872	8.8
285.16940	100.0
372.22327	7.3
410.27658	3.7
428.28717	6.2
445.29520	3.4
446.29767	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85653	0.7
52.49938	0.8
53.03925	1.2
55.05501	3.1
57.03434	5.3
59.04991	2.9
59.30512	0.8
62.62664	0.7
67.05479	2.6
67.99004	0.7
69.03061	1.3
69.03426	18.8
69.07046	3.4
71.04991	10.8
71.43612	1.0
73.02888	1.4
73.06539	3.1
73.27787	0.8
76.97028	0.8
79.05472	5.0
81.03423	7.4
81.07054	20.4
83.04971	2.1
83.08587	2.4
85.02901	15.9
87.04467	13.8
91.05467	2.9
93.07030	13.0
94.07320	1.0
95.04955	2.8
95.08591	3.0
97.02885	20.1
97.06512	2.5
99.04449	1.0
105.07013	2.3
107.08582	10.1
109.02827	0.9
109.06433	0.9
109.10126	2.4
111.08065	2.5
115.03920	24.6
119.08574	1.9
120.05886	0.8
121.10139	1.0
127.03934	1.9
129.06970	1.2
131.72173	0.8
133.04953	29.7
135.10648	1.0
135.11682	17.5
145.04973	3.1
147.11644	1.4
153.12730	100.0
154.13058	2.9
156.84445	0.9
157.10172	1.8
165.12708	0.9
175.06041	1.0
175.11137	1.3
193.12233	5.2
211.13298	4.0
241.07002	1.0
259.07971	1.8
267.15948	2.0
277.09067	2.3
285.16937	17.9
295.10144	3.0
344.97372	0.8
414.63205	0.8
446.29782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.5
57.07073	4.3
58.06603	1.7
60.08159	17.9
67.05475	0.6
69.07058	0.6
70.17171	1.0
70.17484	0.5
71.07365	6.8
71.08614	1.9
81.07049	1.1
85.10178	1.3
86.09699	49.4
95.08572	1.6
98.98479	4.3
104.10735	99.6
105.11082	0.8
109.10194	0.6
124.99991	28.9
142.99326	0.6
146.89539	0.5
163.01546	0.6
184.07326	100.0
185.07700	0.8
256.04816	0.5
258.11023	1.4
299.25800	2.0
464.31323	8.6
482.32410	26.7
483.32956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43316	1.1
55.05507	2.6
57.07069	67.6
69.07069	8.3
69.74445	2.3
69.74831	2.4
71.08622	59.8
73.06544	2.9
83.08617	3.9
85.10173	35.8
85.10697	1.7
87.04482	2.4
89.06020	100.0
95.75338	1.1
97.10168	2.9
98.19278	1.0
98.22680	1.5
99.11742	6.5
107.07092	1.8
111.11717	3.4
113.13268	5.8
117.09132	1.8
125.13268	2.1
127.14839	4.7
130.08578	2.1
131.06981	1.6
133.08589	62.3
147.40707	1.0
151.09660	1.4
177.11209	22.3
183.21048	1.8
195.12263	4.0
204.32552	1.2
221.13869	2.7
239.14861	4.7
271.26370	3.3
283.17484	29.7
284.17505	1.4
315.28809	2.5
345.74731	1.2
349.74979	1.1
377.32452	1.2
421.35040	1.2
465.37878	19.5
482.36856	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	482.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	68.3
62.72563	5.0
63.14241	4.8
69.07095	9.1
71.08627	69.8
80.79440	5.4
85.10172	38.4
89.06030	100.0
99.11755	7.1
113.13246	5.2
119.96534	5.0
133.08603	59.3
169.84271	4.9
177.11230	25.7
184.57140	4.8
213.25021	4.8
219.43852	4.8
221.13855	5.7
225.01671	4.8
283.17584	34.9
385.91589	6.5
465.37848	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30201	1.2
52.87537	1.0
56.57048	1.1
56.96561	3.1
58.11461	1.1
58.11733	1.3
63.78357	1.0
69.03434	7.0
69.76471	3.7
81.03402	2.5
82.99881	1.6
85.02898	2.8
85.05827	1.1
94.99832	1.1
97.02847	2.0
98.97590	3.5
99.04460	1.8
101.00875	11.8
109.02863	1.6
110.97581	1.9
113.00858	3.3
115.02362	1.9
116.98644	1.4
119.01907	22.1
119.04881	1.5
127.02438	3.3
127.03870	2.5
127.42982	1.2
131.01892	13.8
131.04906	1.6
133.03447	2.8
139.02350	1.2
143.01889	16.5
145.03462	11.6
147.01448	1.2
147.04414	3.4
149.02890	1.8
153.01802	1.6
155.01865	23.3
157.03575	5.5
161.02922	18.8
163.03996	1.3
167.01874	7.9
169.03485	3.0
171.05084	2.7
173.02936	33.4
174.03056	2.5
174.99146	3.4
175.04434	3.5
177.02426	3.5
179.01921	3.1
183.04974	1.7
185.02940	34.6
186.02914	1.7
187.03993	6.1
189.00676	1.7
191.03862	2.3
193.00362	1.9
197.02965	12.7
201.02425	35.6
201.06065	3.2
202.02721	2.0
203.03967	11.7
204.04187	1.4
209.03055	2.0
211.06194	1.2
213.02296	8.6
215.03893	7.8
219.03487	71.1
220.03627	3.8
221.03140	1.2
221.04990	5.5
225.02335	1.7
227.03973	7.4
229.01387	1.4
231.02960	22.4
232.03192	2.0
237.02544	3.3
237.04628	2.1
239.04097	2.2
241.01321	4.5
243.03488	2.6
243.07085	1.2
245.05046	79.5
246.05199	4.7
247.02364	2.2
249.04491	8.2
255.03491	4.5
257.05060	4.5
259.02356	36.1
260.02835	2.0
261.04575	11.3
263.06042	10.0
273.04626	1.5
275.01724	2.2
275.06085	10.7
277.03406	100.0
278.03748	7.9
279.05585	4.0
285.00076	1.3
285.04611	2.6
293.07062	4.0
303.01328	21.7
303.05560	24.6
303.09000	2.6
304.05624	1.3
305.07166	9.9
321.02560	1.3
321.06647	30.8
321.10104	2.0
322.06873	1.8
335.08264	3.7
339.07642	2.4
343.03122	2.4
365.09073	4.5
383.08044	2.1
483.11536	13.9
483.19254	6.7
498.92459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18641	0.5
64.03500	0.5
64.03838	0.5
69.88192	1.8
69.88549	0.9
70.59222	0.6
81.03428	0.7
85.02902	0.9
98.23215	1.2
137.02315	2.7
139.03899	1.0
153.01787	3.8
155.03404	1.8
167.03300	1.1
185.04173	0.7
189.05287	0.7
219.06277	2.4
227.05190	1.3
231.02847	0.6
234.08577	9.6
235.09387	9.0
271.04230	2.1
295.26553	0.6
303.01050	0.6
304.01599	2.6
319.04388	0.7
320.04938	0.9
321.04962	1.4
370.12457	0.6
397.14709	4.1
439.15723	30.0
440.15918	1.3
460.26617	0.7
483.14648	100.0
484.14743	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	483.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24610	0.9
70.18695	0.8
81.03397	1.2
81.07040	1.1
91.05502	0.8
109.02866	1.2
109.06503	2.0
109.20299	1.1
114.26041	0.9
137.05939	3.5
144.10783	1.0
145.10078	0.9
153.01756	7.2
161.05943	1.1
197.63980	1.1
205.04709	6.5
207.10088	1.8
217.08380	6.1
227.05289	1.7
234.08572	7.4
235.09404	8.6
271.04245	2.5
294.34366	1.0
321.05667	2.8
321.09418	1.0
339.10236	1.1
360.92850	1.0
397.14734	4.7
421.14496	1.0
439.15710	27.6
440.16031	1.5
465.13577	2.9
470.11035	1.0
483.14572	100.0
484.14832	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	483.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50054	0.2
51.02375	0.5
54.08732	0.2
55.01863	0.6
57.61100	0.2
62.01598	0.2
65.03922	0.3
69.77639	0.7
73.83986	0.2
77.03924	0.6
79.05483	1.2
89.03917	0.2
91.05486	2.5
95.04953	1.8
101.09666	0.2
101.83379	0.2
102.04651	0.4
102.53538	0.2
103.05453	50.6
104.05793	0.9
105.04498	0.5
105.07016	10.4
106.07308	0.2
107.04919	0.3
115.05421	2.0
118.04134	0.2
119.04923	6.1
131.04909	100.0
132.05247	1.8
133.06467	7.9
137.05965	1.9
143.05994	1.1
147.04384	9.8
148.05179	0.2
151.07495	0.8
153.01831	0.3
161.05956	24.0
162.06351	0.6
163.07516	30.6
164.07838	0.6
179.07016	6.5
185.05707	8.5
199.07556	1.8
201.05223	1.3
201.56049	0.2
203.08560	0.5
231.08018	0.7
242.29143	0.2
248.08263	0.3
259.07492	0.5
260.08459	0.3
261.07285	1.6
289.40103	0.2
291.10117	3.6
292.10645	0.3
321.10858	0.7
323.12665	1.6
423.13943	1.8
483.16110	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	483.1625
Annotation	Antibiotic 1072A
Peak:m/z	Relative Intensity
55.05515	1.0
69.21469	3.0
81.07046	1.1
91.05464	0.8
93.07035	1.9
105.07037	0.8
109.84226	0.7
111.04503	0.9
121.10150	1.2
125.94702	0.7
128.10732	0.7
153.01828	6.6
153.02968	1.2
178.33908	0.8
483.16193	100.0
484.16574	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	483.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08051	0.3
55.05511	0.4
67.05481	0.3
69.03428	0.5
69.40787	1.1
77.84324	0.3
79.01842	5.7
79.05489	0.3
81.03406	0.4
85.57436	0.3
91.05472	2.0
93.49469	0.3
95.04955	0.4
95.08636	0.4
97.02876	1.2
100.98373	0.3
107.01305	1.3
107.04936	0.9
119.04948	0.8
121.06451	0.3
121.10111	0.4
122.03687	0.8
125.02328	3.2
128.06189	0.7
129.07007	1.7
133.10225	0.4
137.05966	6.8
138.06320	0.9
143.03401	7.7
151.07562	2.3
153.01817	100.0
153.02890	5.6
154.02121	1.9
157.06424	0.8
161.06015	0.4
165.06992	1.3
173.99226	0.4
178.07663	0.7
179.06786	0.4
179.46089	0.4
181.06349	0.4
189.09094	1.9
193.06471	0.6
193.10101	1.0
201.84816	0.3
203.08624	0.6
210.06732	1.3
221.05957	1.2
221.09602	1.2
222.10251	0.4
224.08344	0.4
225.09052	1.0
226.10927	0.4
227.07065	0.5
227.11298	0.4
239.06912	0.4
249.09068	0.5
252.07983	0.4
253.08614	0.7
253.12160	1.8
267.10074	0.6
281.11789	0.8
285.11484	2.0
286.12668	3.1
301.06891	0.7
313.14224	1.2
338.68924	0.4
359.11432	0.4
407.17892	0.7
409.19394	0.8
410.13144	0.4
453.18314	1.3
483.18866	1.7
483.27902	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.5
51.02368	0.9
51.26722	0.2
55.05506	0.3
67.05488	0.4
69.03400	0.5
69.07066	0.2
70.71245	0.4
79.01849	6.7
79.05470	0.4
79.65707	0.2
81.03413	0.2
81.07027	0.6
91.05469	1.7
91.49654	0.2
91.83373	0.2
93.07054	0.2
94.04189	0.2
95.04947	0.7
95.08585	0.4
97.02895	1.5
97.06556	0.2
97.10151	0.2
103.05433	0.4
105.07008	0.4
107.01313	1.5
107.04958	1.0
107.08580	0.2
109.06515	0.4
115.05440	0.3
119.04905	0.6
119.08574	0.2
121.10104	0.2
122.03616	0.9
123.00738	0.4
125.02342	4.0
127.03978	0.3
128.06186	0.4
129.06985	1.6
131.04929	0.3
131.08545	0.4
133.06499	0.2
133.10175	0.2
135.08017	0.3
137.05959	5.9
143.03383	8.2
151.03889	0.3
151.07545	2.7
152.06186	0.2
153.01810	100.0
153.02881	6.0
154.02129	2.0
157.06488	0.9
160.44933	0.2
161.05986	0.2
161.09569	0.4
163.07497	0.5
165.06984	1.3
166.08646	0.3
167.08559	0.2
169.06516	0.2
174.06763	0.8
175.07549	0.3
178.07780	0.7
179.08594	0.3
181.06433	0.4
182.07236	0.8
189.09058	1.9
192.09375	0.2
193.06516	1.0
193.08286	0.2
193.10138	0.9
207.07867	0.2
209.06104	0.3
210.06731	1.1
211.07477	0.3
220.09541	0.4
221.06015	1.1
221.09546	1.4
224.08328	0.6
225.09145	0.9
227.06947	0.5
235.07611	0.2
238.06187	0.3
239.06966	0.3
243.11362	0.2
249.09142	0.6
251.07120	0.2
252.07938	0.3
253.08424	0.8
253.12215	2.1
255.06439	0.3
261.07626	0.2
267.10074	0.6
269.08472	0.3
270.08719	0.2
272.10361	0.2
281.11749	0.6
285.11130	1.4
301.06979	0.8
301.11847	0.3
311.10184	0.3
313.14310	1.5
329.11255	1.8
331.15427	0.3
341.10202	0.5
359.11316	0.3
361.13846	0.5
392.59802	0.2
439.23169	0.5
452.17996	0.3
474.24167	0.2
483.17200	0.2
483.22073	2.0
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
53.95164	0.3
55.05503	1.3
57.01228	0.3
61.52292	0.3
63.56148	0.3
65.59457	0.3
67.05510	0.8
69.03432	0.8
69.07064	1.0
79.05494	0.6
81.03423	0.7
81.07052	1.3
85.02931	0.4
85.06542	0.5
91.05504	0.4
93.07066	1.0
95.04926	0.3
95.08619	1.0
97.06526	1.2
97.10168	1.0
105.07021	0.7
107.08608	1.4
109.10135	0.8
117.31178	0.3
119.08552	0.6
121.10165	0.6
122.09673	0.3
125.09666	0.6
131.08580	0.4
133.10120	0.6
153.01814	0.7
156.68715	0.3
211.13287	0.5
235.16756	0.4
261.08643	0.4
321.16669	1.8
483.21967	100.0
484.22311	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	483.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07436	0.2
53.67522	0.2
55.96663	0.2
67.05566	0.2
69.50537	1.2
72.72801	0.3
92.37086	0.2
97.10114	0.3
98.22832	0.7
137.05969	0.3
138.06316	0.2
153.01773	0.5
156.59650	0.3
176.02213	0.2
179.35292	0.3
185.04219	0.4
189.26537	0.3
203.05302	0.5
212.35471	0.3
218.75050	0.3
240.21783	0.3
259.07852	0.7
312.38126	0.3
321.16721	1.2
332.48376	0.3
483.21970	100.0
484.22348	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.4
55.18251	2.7
57.03418	4.8
57.07067	5.1
59.52345	2.6
67.05491	17.6
69.03404	5.4
69.07058	17.0
69.48600	2.9
73.10471	2.4
79.05487	22.2
81.03430	2.9
81.07050	72.8
83.04973	19.2
83.08601	9.8
85.02877	7.3
91.05463	31.2
93.07026	44.3
95.04959	12.1
95.08015	5.0
95.08595	67.9
97.02894	7.5
97.06486	4.0
98.22715	9.1
100.18422	2.9
103.05459	3.1
104.32617	3.3
105.07018	93.8
107.08585	63.9
109.06507	9.6
109.10147	32.8
111.08061	6.4
113.30050	2.8
117.07018	10.8
119.08571	77.0
121.10133	53.0
123.08080	8.4
123.11699	16.7
124.09377	2.6
125.09583	10.0
127.03980	3.6
129.06970	5.7
131.08542	44.3
133.04968	3.7
133.10107	58.9
135.08070	3.5
135.11661	18.3
137.09566	3.4
137.13252	16.3
142.07735	5.5
143.08488	18.5
144.09290	8.0
145.10109	74.1
147.07953	4.7
147.11664	40.6
149.09621	5.6
149.13249	12.1
151.11218	6.4
153.01828	4.4
153.12851	2.7
155.08540	9.0
157.10098	30.0
158.10864	6.8
159.11678	100.0
161.09641	5.8
161.13251	35.3
163.11221	4.8
163.14813	15.2
165.12773	5.6
169.10078	6.6
171.11676	31.6
173.09633	3.3
173.13235	86.3
175.14787	39.0
177.12698	7.6
177.16344	9.5
183.11662	9.4
185.13234	34.6
187.14787	63.1
187.16313	5.1
189.12743	4.7
189.16347	25.1
191.14302	16.8
191.17999	6.1
193.12169	5.5
193.15894	5.3
195.11644	4.1
197.13242	19.2
199.14809	52.5
201.16356	44.1
203.14267	11.8
203.17950	6.0
205.12219	7.6
205.15898	29.4
207.13759	6.2
211.14742	7.2
213.16342	20.1
215.14313	5.0
215.17876	5.7
217.12201	4.1
217.15756	14.1
219.13771	18.8
219.17381	30.3
221.15332	8.3
223.14830	3.4
225.16467	6.7
227.17815	5.8
231.13731	10.1
231.17365	9.9
232.14320	3.5
233.15318	14.6
234.11279	3.4
239.17868	7.0
243.13840	8.4
245.15268	20.0
247.16820	3.0
251.12634	5.3
251.18088	4.3
253.19553	5.4
265.14355	10.7
265.19431	4.3
267.20917	3.4
273.14960	2.9
273.18338	5.1
285.18439	3.8
291.15826	9.5
297.18390	3.9
312.11606	3.2
319.19110	3.0
373.28836	8.0
375.29865	3.9
391.29947	37.5
392.30597	3.8
393.31320	20.1
398.12784	3.0
409.30707	4.7
419.29202	16.4
421.30722	3.1
437.30460	54.1
438.30472	3.9
453.29868	9.5
465.29788	22.3
483.30945	42.8
484.30954	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
67.05493	7.1
68.05869	1.1
69.36967	5.4
79.01852	5.0
79.05438	2.1
79.37697	1.5
81.07062	2.5
90.03740	1.5
90.63850	1.2
91.05474	1.8
93.07033	3.1
94.06556	8.2
95.04960	1.6
95.08569	2.4
97.02871	2.0
97.06508	2.5
97.10176	1.3
104.02306	1.3
105.94884	1.4
106.06541	1.5
107.01350	1.6
107.08555	2.4
108.08115	2.4
109.10150	1.5
121.10119	2.4
122.02372	2.3
122.06007	13.2
125.02341	1.9
136.07565	8.3
137.05933	4.8
138.06305	2.4
143.03391	5.7
144.03780	1.5
146.09631	2.3
148.07556	6.3
151.07555	1.6
153.01817	81.6
153.02928	5.4
154.02155	27.6
160.07603	9.3
161.08318	1.9
162.09073	1.9
164.07053	4.4
166.08606	17.0
172.07472	2.0
173.10735	2.3
174.09108	6.7
178.08701	1.5
182.04488	1.7
184.07469	1.6
187.08632	2.9
189.09111	1.7
192.37088	1.4
196.06184	1.5
196.09854	1.5
197.06894	1.6
198.09166	2.1
199.08624	5.6
200.07054	2.0
201.10205	10.4
202.08643	1.9
213.10211	8.0
214.08682	1.8
215.08159	6.1
215.11760	5.3
217.09798	2.1
220.09642	15.4
225.10201	4.5
226.08653	3.3
227.08179	7.9
227.11661	1.5
228.06577	2.4
229.09737	6.4
230.10423	2.2
231.11241	1.8
237.10223	4.0
239.08142	5.3
239.11823	3.1
241.09749	9.7
242.10400	3.3
243.07462	1.5
243.11270	13.3
244.12190	1.5
245.09215	4.1
246.07561	11.5
251.08319	2.1
253.09714	4.2
255.11256	6.4
256.11990	2.5
257.09207	6.1
257.12738	3.4
258.09961	5.8
259.10751	13.5
261.12302	4.4
264.08578	2.5
265.09662	2.7
267.11218	2.5
268.09583	2.3
269.09177	14.3
269.12180	1.8
271.10748	14.5
271.14374	6.6
273.12326	2.0
275.10236	2.2
283.10797	12.3
285.12354	14.7
286.13156	8.9
287.10214	15.0
287.13736	5.4
289.11774	10.1
289.15189	2.5
301.11801	30.2
303.13364	17.9
311.10208	15.5
313.11642	8.8
314.14618	1.9
315.10074	1.4
317.11359	2.1
319.12839	4.1
321.14441	3.6
329.11279	100.0
330.11789	6.5
331.12823	28.3
347.12323	5.5
361.13892	55.7
361.17123	1.3
361.18448	2.5
362.14401	3.7
363.15393	16.1
378.18057	2.2
408.18979	4.5
410.16769	2.4
434.16940	3.6
442.19717	9.6
452.18164	35.2
453.18326	2.1
484.20941	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	484.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
56.11139	0.6
67.05487	1.1
69.03452	0.8
69.07063	1.2
69.11366	4.3
74.33067	0.7
79.05475	1.5
81.03414	0.7
81.07047	1.9
91.05483	1.0
93.07038	1.9
95.04937	0.9
95.08595	1.6
97.06508	2.0
97.10176	1.0
98.23463	1.1
105.07005	1.1
106.06559	2.6
107.08556	1.1
108.08084	0.8
109.10103	0.9
111.08043	0.8
119.08597	0.8
121.10126	1.1
122.02385	1.5
122.09656	1.1
132.08060	1.8
133.10130	0.7
136.07570	3.6
146.09636	2.6
148.07556	10.5
149.08221	0.9
150.09140	1.6
153.01816	1.2
153.89978	0.9
158.09604	0.9
160.07552	9.6
164.06996	3.8
166.05635	0.7
166.08624	23.5
167.08946	0.9
170.09616	0.8
171.09291	0.9
172.07510	1.3
174.09131	8.6
178.08635	3.0
182.04469	1.3
185.07001	1.0
186.05602	0.7
186.50795	0.7
187.06258	0.8
192.10234	1.4
196.05959	1.0
196.07584	0.9
198.09172	1.2
198.11661	0.6
199.08658	4.8
199.12982	0.7
200.07071	2.9
201.10052	0.8
202.08643	2.3
204.06593	0.8
213.10228	6.8
214.10802	1.1
215.08160	1.4
215.11795	1.4
218.08105	1.7
220.09654	21.4
223.08438	0.9
224.09401	0.9
225.10269	1.0
227.08107	6.1
227.11743	1.0
228.06526	1.6
229.13235	1.4
231.11316	1.1
237.10258	3.4
238.08569	1.1
240.10194	1.0
241.09683	8.1
242.10544	2.2
243.11238	6.7
245.09215	2.4
246.07574	12.1
251.08096	3.4
252.08920	1.4
255.11237	4.0
259.10794	6.3
264.08652	3.6
265.09753	2.9
267.11273	1.5
268.09625	2.5
269.09177	15.0
271.14383	11.3
273.12289	1.9
283.10706	8.8
285.12302	13.5
286.12711	0.9
286.83292	0.8
287.10236	9.6
289.15411	2.6
293.09204	1.1
297.14487	1.0
301.11774	17.2
302.12402	1.1
311.10187	17.4
313.11642	0.9
329.11273	100.0
330.11621	4.4
347.12308	3.7
348.12491	0.8
361.09683	1.3
361.13901	16.1
362.14188	0.8
424.28339	0.7
434.17001	4.1
452.18161	12.8
484.22101	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	484.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01870	10.6
55.05501	1.4
56.65631	1.1
57.03434	2.6
57.07063	7.1
59.04993	2.1
67.05495	7.2
68.01945	1.2
69.03426	10.1
69.07059	6.9
69.38807	2.6
69.39214	3.9
70.02942	6.6
71.04993	2.8
72.04508	21.9
72.04869	1.9
73.02914	13.0
74.02449	1.7
79.15116	1.1
81.03416	20.1
81.03887	1.2
83.04965	7.7
85.02897	8.9
85.06534	10.4
86.09705	4.7
87.08098	3.9
90.05547	50.2
95.04965	7.8
96.08149	2.2
97.02887	11.5
98.02409	22.7
98.70424	1.3
99.04448	7.3
100.03984	7.8
103.03932	1.6
103.07585	6.3
108.04491	1.1
109.02875	29.7
112.07630	2.5
113.06007	7.9
115.03928	2.2
116.03456	22.5
124.07585	27.2
127.03907	18.7
131.07072	1.9
132.06557	10.5
132.10205	1.9
138.05515	2.8
139.03928	1.4
142.08627	20.2
145.04956	8.7
145.68953	1.3
153.01851	2.5
158.04538	1.6
160.09665	6.7
163.85623	1.2
166.08662	3.7
172.09726	5.2
174.11258	6.1
181.04993	1.4
184.09680	37.8
187.06070	2.3
198.07553	7.2
199.05969	7.7
202.10727	100.0
203.11339	3.4
211.09662	9.7
216.08595	6.4
217.07030	6.1
220.11772	32.9
230.10194	11.2
234.09708	14.6
244.11858	2.3
260.06903	1.3
262.12857	20.0
310.12802	11.9
328.13885	74.1
329.14368	1.6
346.14972	17.3
354.17505	2.0
364.15985	43.0
364.20557	2.3
466.22675	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	484.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05500	4.6
57.03432	6.4
67.05495	6.7
69.03424	10.1
69.07094	2.5
69.18858	12.3
75.04472	9.8
79.05491	22.0
81.03431	8.8
81.07052	9.3
85.02905	7.4
91.05466	17.1
93.06448	5.4
93.07038	100.0
95.04975	9.9
95.08607	6.3
97.02892	8.8
97.06505	2.5
98.23563	4.9
103.05536	2.5
105.06998	12.3
107.08578	18.5
109.02862	5.1
109.10167	4.8
111.08068	7.5
117.06985	2.5
119.08569	19.2
121.06526	11.4
121.10139	85.9
122.09708	6.2
123.08057	2.9
123.11646	3.3
127.03944	6.1
131.08531	4.3
133.06494	7.0
133.10144	7.7
135.08031	3.0
137.09586	4.5
138.09055	2.7
139.11189	3.9
145.04970	2.1
149.09602	15.8
151.07556	6.7
153.01816	10.8
157.06818	2.2
167.10657	28.4
185.13216	3.5
191.10654	4.5
213.12708	3.3
222.25075	2.7
251.14265	3.1
258.47021	2.5
269.15442	8.7
287.16409	11.0
293.13828	4.7
311.14847	19.7
431.20514	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	484.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.0
57.03426	5.1
59.04984	2.3
67.05490	2.2
69.03067	1.9
69.03426	21.2
69.07057	7.4
69.09691	6.7
69.10093	2.4
71.08627	47.5
79.05499	2.5
81.03398	2.1
81.07046	3.5
85.02899	15.3
86.09715	2.5
87.04456	13.3
90.64938	1.2
91.05466	2.1
93.07018	3.7
93.37646	1.3
95.04982	1.8
95.08598	4.9
96.45965	1.3
97.02880	14.3
97.10114	1.3
98.10509	1.3
99.04455	1.8
99.08086	100.0
104.10729	4.1
105.07037	3.0
107.08597	3.9
109.02900	1.6
109.06528	1.7
109.10149	1.9
111.67522	1.1
115.03923	18.8
119.08604	3.9
120.08044	1.6
121.10156	2.0
122.09643	2.6
123.11704	1.8
125.00011	1.7
127.03893	4.2
129.12758	10.2
131.08589	1.7
133.04941	16.8
133.10120	2.9
145.04964	1.6
145.10059	1.7
153.01813	6.1
159.11694	1.8
169.70697	1.4
173.15356	69.2
184.07297	3.8
220.09633	1.2
231.25735	1.3
289.12012	1.6
303.13248	1.9
313.11783	2.5
329.11346	3.1
331.12811	1.8
373.13943	3.4
452.18097	2.7
484.18472	32.2
484.24545	2.6
485.17963	2.5
485.23846	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
57.07069	18.6
58.06586	1.8
61.59356	0.6
67.05500	2.5
69.07061	2.2
69.36448	3.1
70.06585	16.4
71.08620	8.2
73.02913	1.6
81.07043	2.2
83.08617	2.1
85.10175	3.7
88.07624	18.1
95.08595	3.2
97.10192	0.8
99.61349	0.6
102.09167	12.4
102.09846	0.8
106.08697	0.9
154.83524	0.5
171.30760	0.5
200.20073	19.7
218.21140	1.7
228.23203	18.6
246.24307	1.2
255.23146	1.4
256.26413	0.7
283.26297	18.8
303.94434	0.6
311.29410	16.7
413.07544	0.6
484.47205	100.0
485.47418	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	484.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
56.05041	0.6
57.07071	15.2
58.06595	1.3
62.45538	0.5
67.05502	2.6
69.07057	2.3
69.07392	0.6
69.09003	4.3
70.06584	13.6
71.08622	7.8
72.28759	0.5
73.02908	1.4
79.15374	0.5
80.61330	0.5
81.07045	2.1
83.08604	2.4
85.10178	4.0
88.07623	18.4
92.07664	0.7
95.08608	3.4
98.23077	3.2
102.09169	13.3
102.46069	0.5
106.07236	0.6
109.10126	1.0
109.37249	0.6
179.73390	0.5
180.20305	0.6
200.20139	3.8
228.23201	44.8
229.23688	0.8
246.24158	3.8
255.23079	3.7
256.26471	3.4
283.26279	45.3
284.26721	1.4
311.29440	4.0
388.93320	0.7
484.47211	100.0
485.47525	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	485.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32496	0.9
58.46251	1.0
64.66799	0.9
69.03419	3.2
69.12971	0.9
71.42036	1.0
79.01850	4.0
81.03414	8.7
85.02898	3.8
97.02885	7.1
99.04539	0.9
103.03949	1.4
107.01289	1.6
107.04881	0.9
109.02875	4.3
117.10755	1.0
122.03609	1.4
125.02334	3.3
127.03922	6.7
137.05977	8.2
139.03925	2.2
143.03366	5.5
153.01810	100.0
153.02855	4.2
154.02133	2.2
171.02858	10.7
171.06470	1.2
172.69139	1.1
213.03499	0.9
223.75218	0.9
255.04971	1.5
261.07471	2.3
273.00085	0.9
297.06015	7.9
304.46741	1.0
315.07104	4.5
344.42307	1.0
383.51648	1.0
424.82709	1.2
435.47128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02379	0.9
53.03941	0.7
55.01868	0.4
57.03424	0.5
69.03420	3.2
70.23927	0.5
73.02927	0.3
79.01846	3.9
81.03412	7.7
85.02407	0.3
85.02897	4.1
88.10496	0.2
97.02883	6.0
98.03188	0.2
99.04449	0.8
103.03925	1.4
107.01311	1.3
107.04939	0.4
109.02860	5.0
111.04428	0.5
125.02348	4.2
127.03910	6.9
135.04370	0.3
139.03856	1.1
143.03384	6.5
145.04958	1.0
153.01814	100.0
153.02867	4.6
154.02115	1.7
162.11382	0.2
163.03888	0.6
167.03473	0.3
171.02870	10.6
171.06511	0.5
181.04976	0.3
191.03375	0.3
195.02901	0.8
195.06531	0.4
201.05444	0.3
207.06577	0.2
213.03943	0.4
213.07523	0.4
233.08037	0.4
237.03984	0.5
237.07541	0.5
243.55521	0.2
255.04898	1.8
261.07556	2.8
279.05734	0.2
279.08536	1.2
297.06042	7.2
297.09424	0.2
315.07123	3.8
340.91913	0.2
485.16476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1992
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
50.30941	0.7
53.03939	0.8
55.01881	0.7
55.05497	2.7
55.57245	0.6
59.04997	0.7
59.14285	0.7
67.05492	2.5
67.67553	0.6
69.03428	1.7
69.07049	2.7
69.23483	3.6
71.04969	1.0
79.05482	2.3
81.03423	1.8
81.07049	6.7
85.02889	1.5
85.06548	1.6
91.05453	2.3
93.07023	4.0
95.04951	0.9
95.08602	5.1
97.02899	0.8
97.06519	2.1
97.10165	1.2
98.23400	1.5
99.04451	0.8
105.07012	4.0
107.08579	4.5
107.09222	0.6
109.06480	0.9
109.10143	3.8
111.08051	1.3
117.07018	0.7
119.08569	3.2
121.06451	0.7
121.10141	4.2
123.11698	2.9
125.09657	0.8
127.03935	1.1
127.11137	0.8
131.08536	1.9
133.10114	3.1
135.04317	0.6
135.08047	0.8
135.11656	1.2
137.09607	0.9
139.07448	0.9
139.11179	1.1
143.08504	0.9
145.10098	2.5
147.11665	1.3
147.12823	0.7
147.96550	0.7
149.09581	0.8
149.13228	0.8
153.01794	3.7
159.11661	2.4
161.13255	1.4
163.11180	1.0
163.14862	0.8
171.11549	0.7
173.13261	1.1
175.14883	0.8
185.13268	1.4
187.14816	0.8
189.16342	0.6
191.14305	1.0
199.14813	0.8
205.15781	0.6
214.17929	1.0
229.16499	0.7
237.14650	3.4
237.18478	1.4
266.79059	0.7
271.04208	1.0
317.08459	2.0
399.19626	3.7
413.26416	0.9
439.32230	1.0
441.20947	35.2
442.21072	2.3
485.19806	100.0
486.20166	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	485.2014
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
55.01862	1.4
55.05505	2.0
57.07068	1.5
67.05504	2.2
69.03423	4.0
69.07057	3.0
69.57858	4.1
71.04995	3.4
72.64040	1.0
73.02920	1.8
74.43744	1.1
79.01857	5.9
79.05479	1.6
80.58661	0.9
81.03419	2.3
81.07043	8.6
82.07388	2.7
85.02884	6.5
91.05463	3.0
93.07044	4.5
95.04963	1.6
95.08594	6.3
97.02889	4.2
97.06559	1.7
98.23096	4.3
99.04463	1.5
100.11255	1.0
105.07016	3.8
107.01351	1.4
107.08567	5.5
109.02882	2.9
109.10147	1.9
111.04523	1.0
114.09174	2.3
115.03954	1.2
119.08602	4.4
121.10133	1.8
125.02350	3.3
127.03892	5.1
131.08577	3.5
133.06493	1.4
133.10149	2.1
135.11699	4.3
137.05949	1.4
137.13239	1.4
138.13573	2.3
143.03386	7.3
145.04961	1.4
145.10135	1.8
147.08109	1.8
147.11656	1.2
153.01814	100.0
153.12708	7.1
154.02144	1.6
161.13261	1.3
165.12830	1.5
171.02869	4.8
173.09625	1.9
177.12711	1.2
182.15292	1.1
183.02754	1.2
210.14970	1.3
230.29709	1.1
238.49590	1.0
243.13687	1.5
261.14899	3.0
279.15848	1.3
297.06122	2.1
297.16840	1.4
305.13907	1.9
315.07181	5.4
402.50397	1.1
421.13474	1.3
421.30441	1.2
485.14343	1.2
485.19824	17.7
486.20023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
57.03434	0.3
57.07071	0.7
58.46186	0.1
65.03938	1.2
67.05499	0.5
69.03422	0.2
69.07053	0.3
69.07434	0.1
71.04986	0.3
71.08629	0.2
74.40090	0.1
76.76054	0.1
77.03907	0.1
78.04707	0.5
79.05501	1.1
81.03419	0.4
81.07049	0.4
83.04971	0.2
83.08611	0.2
85.02924	0.2
85.06537	0.5
87.04446	0.3
91.05473	53.1
92.05822	0.7
93.07024	0.5
95.04978	0.3
95.08611	0.4
97.02901	0.2
98.22707	0.3
98.99554	0.1
99.04460	0.2
103.05434	0.7
104.06239	4.3
104.81772	0.1
105.07023	10.8
106.07363	0.2
107.08586	0.2
109.06543	0.2
111.08078	0.7
115.05469	0.2
117.07021	0.3
123.08064	0.5
125.06008	0.1
127.07530	0.3
131.08536	0.6
133.10117	100.0
134.10440	2.1
137.09654	0.2
147.08049	2.7
147.09113	0.3
149.09621	1.2
151.07549	0.2
153.09096	0.6
169.08572	0.2
171.10205	0.5
189.11153	0.3
291.31619	0.1
313.27219	0.5
484.46704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3255
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.02375	2.0
53.03939	2.1
55.05502	11.9
55.25804	1.7
55.75036	1.6
57.07060	1.9
59.04993	1.9
60.10016	1.5
65.03922	2.4
67.05495	24.1
69.03423	21.3
69.07059	12.2
70.06596	2.3
71.42950	1.6
77.03912	2.4
79.05486	23.2
81.03409	4.7
81.07049	52.8
83.04975	3.6
83.08622	6.3
85.02926	1.7
85.06548	1.9
86.09686	2.5
91.05472	33.7
93.07034	49.9
95.04957	25.3
95.08015	3.7
95.08596	43.4
95.09200	2.5
95.90300	1.7
97.06503	4.8
97.10177	2.6
99.04438	9.7
100.07694	2.0
100.11259	2.5
103.05462	2.3
105.04518	3.5
105.07016	73.3
107.08585	47.4
108.08848	2.0
109.02887	2.3
109.06522	7.9
109.10139	23.8
111.04453	3.5
111.08045	3.1
115.05429	6.0
117.07013	16.5
119.08566	100.0
120.08956	2.3
120.10074	1.9
121.06486	5.5
121.10125	34.9
123.08055	4.3
123.11679	6.4
125.38467	1.7
127.03876	3.5
128.06232	5.2
129.06989	12.4
130.07784	4.0
131.08549	50.6
133.06458	3.7
133.10107	44.5
135.08089	3.0
135.11679	16.7
137.09596	3.0
138.09970	2.0
141.07002	3.3
141.08871	1.7
142.07774	8.9
143.08534	29.3
144.09314	6.1
145.08965	3.5
145.10098	60.5
145.11220	3.5
146.10571	1.9
147.08012	4.4
147.11670	36.3
149.09608	8.8
149.13242	9.1
151.11110	4.1
153.01804	7.8
155.08546	6.7
156.09349	7.5
157.10115	32.5
158.10716	1.7
159.08015	3.0
159.11673	48.9
161.09676	5.2
161.13225	30.6
161.14490	2.4
163.07492	2.6
163.11159	3.5
163.14790	8.5
165.08998	1.9
165.12831	2.3
168.06485	2.5
169.10075	9.5
170.10858	5.4
171.11676	22.6
173.13214	31.2
175.11093	4.1
175.14812	23.5
177.12759	2.8
177.16388	6.8
179.10760	1.8
179.14313	2.5
181.10222	2.5
183.11684	7.0
184.12445	2.8
185.13260	22.1
187.14798	30.5
189.12741	16.7
189.16341	18.9
191.14302	6.0
191.18085	1.9
193.15904	3.4
195.11838	2.1
197.13138	9.0
199.14783	34.1
201.12834	4.1
201.16362	21.4
203.14294	24.2
203.17950	3.5
205.12187	2.1
205.15872	11.8
207.13814	6.0
209.13364	3.2
211.14803	8.5
213.16310	11.9
214.14406	2.3
215.14339	7.1
215.17911	3.9
217.15839	31.2
218.16222	2.1
219.13852	4.1
219.17340	12.9
221.15349	15.8
221.63304	2.1
223.14769	3.1
225.16397	4.6
229.15840	10.9
231.13800	2.1
231.17372	10.2
233.15376	7.5
235.16858	4.0
243.17587	2.4
245.15350	5.2
247.16959	4.9
251.16302	4.0
253.19472	4.1
255.17471	2.2
257.19098	3.2
265.17883	3.0
275.16202	2.7
277.17892	5.1
283.20435	2.9
355.45486	1.9
391.29785	5.9
403.29898	8.7
409.30887	5.6
411.28653	10.2
421.30923	19.3
423.32068	2.2
437.30444	3.5
439.32013	14.3
449.30594	5.8
455.31689	3.1
467.31689	17.6
485.20551	3.4
485.32599	70.9
486.32880	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	486.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04760	2.1
67.45314	1.9
67.50924	1.9
69.03422	2.1
69.58805	4.4
69.59198	4.0
76.55972	2.2
79.01849	4.3
81.03408	6.3
85.02890	3.1
97.02879	6.0
97.52054	2.1
98.22990	5.9
99.04463	2.0
109.02849	5.5
122.03634	6.5
127.03900	8.1
136.09999	2.1
137.05969	99.2
143.03375	6.6
153.01816	100.0
153.02859	5.5
154.02174	13.0
171.02859	12.1
224.70734	2.1
297.05988	7.2
298.06271	2.9
315.03326	2.0
315.07098	8.0
331.83157	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
57.07064	2.1
58.01630	1.3
62.27850	1.3
67.05482	3.3
69.03403	2.4
69.07058	1.6
69.83072	3.9
79.01854	2.5
79.05489	6.8
81.03410	6.1
81.07048	58.2
85.02903	2.9
94.26519	1.4
95.08606	12.0
96.55902	1.3
97.02880	4.6
99.04401	1.6
107.32014	1.3
109.02908	3.3
127.03902	8.3
137.13243	10.5
143.03377	4.0
145.04903	1.6
153.01810	100.0
154.02124	2.2
171.02856	14.6
297.05963	11.3
315.07025	21.9
317.53946	1.4
493.62756	1.4
497.62402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
53.74488	4.2
55.05511	9.5
56.19307	4.8
56.90009	3.9
57.25546	3.6
67.05490	5.3
69.03428	17.8
69.07062	4.9
69.35688	22.1
69.58139	3.8
71.02085	3.7
76.52135	3.7
79.05493	28.7
81.03407	15.0
81.07052	26.3
85.02912	16.5
90.72308	4.6
91.05468	15.0
93.07033	100.0
95.04967	9.6
95.08598	11.1
97.02876	6.8
98.23462	10.2
99.04469	12.3
105.03403	5.0
105.07019	17.2
107.08595	20.1
109.02892	5.5
109.10131	9.0
111.08026	8.1
119.08557	21.3
121.10130	93.7
122.10526	7.4
123.11720	6.6
125.06017	7.4
127.03915	6.2
131.08591	8.6
133.10085	7.9
140.01573	4.7
145.10104	4.5
147.08037	4.5
149.09618	23.3
149.13264	4.1
151.11145	7.2
152.11435	5.7
153.05450	64.9
167.10583	21.2
170.98814	4.3
177.05490	5.1
191.06944	4.2
193.08598	10.2
197.60229	4.1
219.06671	5.3
225.52156	5.6
231.06519	6.6
289.14273	12.8
293.13925	8.3
311.14822	10.7
333.80505	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	486.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
53.71638	1.8
55.05507	4.7
55.70730	1.7
57.03422	5.4
69.03433	10.9
75.04478	11.7
76.50155	1.8
76.93811	1.6
79.05488	20.8
81.03413	9.7
81.07046	6.9
85.02904	4.1
91.05478	10.2
91.05981	2.1
93.07043	100.0
95.04945	6.3
95.08591	4.7
96.26015	1.5
97.02885	6.6
98.23143	2.0
99.04422	3.5
105.07054	8.7
107.08594	20.3
109.02909	2.9
111.04459	3.0
111.08062	7.5
119.08574	17.1
121.10136	99.1
122.10471	2.9
123.08058	2.1
125.05978	3.2
127.03904	5.0
130.76793	1.8
131.08611	4.1
137.05937	1.8
139.11107	4.7
149.09618	17.3
153.05489	16.7
167.10663	31.9
231.06427	3.1
232.25447	1.6
289.14285	3.1
293.13794	6.1
311.14877	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	487.1576
Annotation	Mycothiol
Peak:m/z	Relative Intensity
53.57069	0.9
69.03419	0.9
70.06564	1.3
72.08156	1.0
81.03426	1.3
85.02901	1.1
86.09711	1.2
93.74389	0.7
137.05959	1.4
138.09138	1.4
153.01897	1.3
156.10233	1.8
165.09180	0.8
287.07910	0.9
325.12790	1.3
388.18625	1.3
487.15707	100.0
488.15979	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.3
59.73968	0.4
62.73439	0.4
70.42341	0.4
71.42905	0.5
83.01096	0.8
84.01843	0.7
95.01080	1.6
96.01857	0.5
97.58731	0.4
101.08949	0.4
112.01338	0.7
113.02118	3.0
120.92366	0.5
125.10532	0.4
129.05458	1.7
129.94383	0.4
141.05269	0.5
152.97029	0.5
153.01807	0.7
157.04756	0.7
177.05156	0.5
185.04187	3.8
201.03702	1.1
203.05328	1.0
205.04707	12.0
205.06534	0.9
206.05086	0.6
235.05734	0.6
250.08081	8.4
251.08792	0.9
259.07712	2.3
263.06128	0.4
263.08878	0.5
293.09961	1.4
325.12582	0.8
339.01324	0.8
383.13080	1.4
397.02142	0.6
411.12878	0.6
413.13745	0.5
487.17822	100.0
488.18069	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73425	0.5
56.96548	0.8
70.50895	1.0
82.02003	0.5
83.04966	0.5
85.02901	0.6
90.17064	0.5
91.05480	0.7
98.97567	3.5
100.14612	0.5
116.98614	1.8
121.06434	0.5
131.04910	0.7
137.05946	3.1
145.06427	0.7
147.04407	2.0
151.07527	1.4
153.01834	1.3
163.07498	0.9
175.07436	0.8
177.05460	0.5
177.09053	0.5
178.47598	0.6
179.07068	1.0
212.07397	1.3
239.12505	10.9
265.11029	1.3
267.12000	2.6
281.13519	1.8
283.12234	0.8
291.12369	0.7
307.12012	1.9
325.13251	1.0
383.16602	1.8
401.17770	21.7
402.18097	1.0
443.18832	46.3
444.19153	1.7
487.17700	100.0
488.18088	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21198	2.2
56.96555	8.1
57.62578	2.2
67.05473	2.6
79.05495	3.1
81.07040	6.2
91.05456	4.6
93.07043	2.8
95.08588	3.9
98.97569	21.8
103.05482	2.8
103.61137	2.6
105.07034	3.6
106.25067	2.2
107.08598	5.5
110.97598	2.7
116.98610	9.9
117.07076	2.6
119.08577	4.6
137.05969	7.1
143.00154	6.8
145.10133	5.1
147.11711	2.5
153.82187	2.4
158.99611	4.2
161.01212	7.1
161.13261	3.4
165.69330	2.2
170.99698	3.8
177.00714	6.2
182.99686	2.4
187.07375	2.3
187.14799	2.8
189.00720	5.1
189.09026	3.3
201.00696	8.8
219.01810	9.0
249.02899	11.7
267.03906	3.1
291.03812	16.0
335.09558	2.3
337.07333	2.5
342.23834	2.2
349.05289	3.7
361.08755	2.7
367.14270	8.4
455.14536	3.2
469.15887	2.7
469.28870	2.9
487.19244	100.0
487.29834	27.0
488.19528	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	487.1938
Annotation	Rutaevin
Peak:m/z	Relative Intensity
55.05515	4.1
62.03078	2.6
69.07053	4.1
69.93159	5.2
81.07036	6.0
93.07082	3.4
95.08556	3.0
98.22977	6.8
98.97559	13.5
100.11266	4.2
105.07017	3.3
107.08544	3.0
109.10179	5.0
110.72775	3.0
111.04481	3.1
113.86891	3.1
116.98608	8.3
137.05943	7.4
161.01195	4.0
164.78662	2.8
177.00673	3.4
201.00668	4.3
202.85414	3.1
218.77426	3.0
223.78949	3.0
249.02919	6.1
291.03839	8.6
291.33887	3.4
355.14316	3.3
451.28387	4.9
469.23938	18.3
469.29831	4.1
487.19293	100.0
487.29855	15.8
488.19559	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	487.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74574	0.6
56.96558	1.3
65.89521	0.5
69.64669	2.0
84.96042	0.7
93.74980	0.6
98.22944	1.8
98.97583	1.1
151.01215	0.6
153.01764	0.7
174.24969	0.6
198.99071	0.8
208.97600	2.4
226.98662	6.3
244.99747	0.9
250.98618	0.7
268.99731	1.8
299.79520	0.6
325.16397	0.6
333.07867	35.6
334.08340	0.9
335.09424	13.7
427.08954	7.0
445.10089	2.5
470.82092	0.5
487.21469	100.0
488.21671	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	487.2147
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.31950	0.3
70.97697	0.3
79.05480	0.5
85.02892	0.3
93.07034	1.0
95.08615	0.3
97.02877	0.4
105.07017	0.3
105.99027	0.3
109.02853	0.3
121.10139	1.0
127.03986	0.3
129.24721	0.3
149.09587	0.8
153.01848	0.6
201.98978	0.3
219.95456	0.3
259.87106	0.3
268.96478	0.3
335.09439	0.6
469.20569	0.4
487.21472	100.0
488.21872	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	487.2147
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
59.04995	3.0
61.60511	0.3
69.03410	0.3
69.59186	0.7
81.07069	0.3
85.02885	0.3
92.37161	0.3
95.08595	0.3
97.02888	0.4
101.06012	0.6
107.08577	0.3
109.02881	0.4
115.03898	0.4
117.06971	0.3
119.08544	0.3
121.10145	0.3
129.05461	3.0
135.08144	0.3
137.06036	0.3
140.20491	0.2
147.06532	0.9
268.32220	0.3
275.07275	0.3
309.13293	0.3
313.85361	0.3
325.15881	1.2
335.09488	3.6
355.17194	0.8
487.21442	100.0
488.21783	5.6
512.18188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16339	0.3
61.91654	0.3
94.86524	0.4
99.71972	0.3
103.13982	0.3
109.06512	0.4
131.43703	0.3
132.20030	0.4
186.34338	0.4
203.05292	0.5
259.07947	0.9
325.16254	1.6
333.07935	1.6
335.09454	10.4
335.13263	0.7
487.21472	100.0
488.21835	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01150	1.2
55.05503	2.9
56.04496	1.3
57.74280	1.1
59.04996	1.3
67.05493	4.7
69.03426	7.9
69.07050	2.9
70.93494	1.2
71.04987	2.2
79.05481	8.8
81.03407	2.0
81.07054	13.5
83.04967	2.4
83.08592	1.4
85.02890	3.1
85.06525	1.8
89.06013	7.9
91.05469	7.8
93.07043	7.8
95.04974	2.4
95.08604	4.4
97.02895	2.6
98.23507	3.1
99.04436	2.1
105.07027	12.5
107.04932	4.4
107.08583	22.0
109.02878	1.4
109.06499	3.9
109.10140	8.3
111.08070	1.2
115.05486	1.6
117.07055	2.4
119.06112	1.6
119.08587	7.0
121.06538	1.4
121.10138	13.4
122.07269	5.2
123.08061	2.6
127.03949	2.2
131.08540	6.1
133.10120	100.0
134.10480	1.6
135.08061	8.6
137.09604	48.1
137.13300	1.6
143.08528	2.3
145.04996	2.7
145.10136	3.2
147.11661	3.7
149.09656	1.6
149.13240	9.8
157.10092	1.7
158.10910	1.8
159.11644	2.0
163.14796	2.6
165.09108	15.5
165.51546	1.2
173.13237	7.8
175.07663	1.6
187.14799	2.4
188.27068	1.2
191.14293	55.5
192.14622	1.8
203.14230	1.5
205.15880	1.5
209.15361	4.5
278.34219	1.3
278.53979	1.4
418.72226	1.2
421.05432	1.5
487.19241	1.6
487.25668	8.8
487.30640	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.2
52.18225	1.0
53.03932	3.6
55.01854	2.3
55.05506	22.1
57.03440	2.5
57.07070	1.4
65.03946	6.1
67.05501	67.1
68.06779	1.0
69.03398	1.3
69.07063	12.6
71.04991	1.8
73.06542	1.5
74.43334	1.1
75.58194	1.0
77.03912	3.2
79.05487	100.0
81.03423	11.2
81.07051	51.5
83.04982	15.9
83.08602	7.1
85.06525	2.3
89.45029	1.0
91.05473	76.1
93.07038	68.0
95.04960	34.9
95.08598	33.8
97.06535	7.8
97.10174	2.2
103.05502	2.0
105.04525	6.1
105.07021	50.0
106.07341	1.5
107.04935	9.3
107.08582	24.2
109.06517	7.2
109.10159	4.4
111.08109	2.7
115.05440	2.4
117.07014	14.6
119.08578	31.9
120.08932	1.3
121.06491	4.5
121.10129	6.6
123.08035	8.3
127.07559	1.8
128.06224	4.9
129.07007	20.6
130.07796	1.4
131.08548	5.3
133.06522	1.6
133.10117	14.1
135.08075	1.5
135.11676	2.8
143.08549	10.5
145.10080	11.1
146.10414	1.1
147.08029	2.6
147.11673	45.3
159.11670	2.2
160.77510	1.2
161.09613	4.7
161.13272	18.3
163.11140	3.3
171.11679	35.1
172.12019	1.5
179.14317	5.0
189.12756	15.2
207.13786	38.3
225.14844	6.9
236.31793	1.1
281.17438	3.9
307.45438	1.3
487.30444	36.3
488.30713	3.4
501.30658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05509	15.0
57.07066	7.3
67.05495	25.6
69.07051	10.9
69.90558	4.6
69.95689	13.6
79.05495	22.8
80.43525	4.8
81.07056	31.8
83.04971	10.8
83.08620	9.6
91.05466	32.2
93.07053	30.8
95.04961	8.2
95.08609	43.9
97.06544	6.9
105.07015	42.2
107.08596	54.6
109.06539	8.0
109.10167	26.5
111.08078	10.0
117.07019	12.8
118.37198	4.7
119.08574	70.1
121.06525	11.2
121.10123	33.3
123.08024	6.4
125.09623	5.5
128.06187	7.5
129.06995	8.0
131.08569	44.4
133.10132	56.5
135.11684	20.0
143.08517	18.8
145.10100	64.2
147.11623	24.4
149.09647	7.2
149.13199	6.6
153.09059	8.2
157.10095	30.9
159.11676	45.2
161.09595	10.3
161.13277	24.3
163.11208	6.8
163.14807	24.2
169.10059	6.5
171.11664	22.1
173.13268	48.9
175.11169	11.1
175.14783	22.2
177.12672	8.2
177.16348	12.6
183.11697	8.2
185.13264	15.1
187.14799	69.6
189.16373	51.9
191.14270	100.0
191.15933	7.7
191.17969	19.7
197.13124	5.7
199.14848	18.8
201.16331	29.5
203.14243	28.5
203.17957	17.2
205.15891	27.7
211.14906	5.7
213.16275	6.3
217.15849	28.2
231.17529	7.5
235.16893	36.8
247.16927	27.8
249.18527	5.8
405.31390	18.1
423.33093	9.9
439.32123	6.3
451.31982	12.6
487.34470	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	487.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.0
61.48589	3.4
64.88137	3.6
67.05506	22.1
69.03444	9.6
69.07043	22.3
71.04995	6.7
79.05482	25.2
81.03411	5.3
81.07055	41.1
83.04996	8.2
83.08601	6.3
85.02908	7.1
85.06564	6.6
86.06052	4.2
91.05476	31.6
93.07030	50.6
95.04950	9.4
95.08598	63.2
97.06528	14.6
99.04453	3.9
99.08096	15.6
105.07018	71.7
107.04997	6.0
107.08583	69.9
109.02896	6.4
109.06545	10.3
109.10139	34.2
111.04452	4.2
111.08047	6.2
116.10780	5.2
117.06985	19.5
119.08566	100.0
121.06522	9.0
121.10133	45.3
122.09719	4.3
123.08073	8.3
123.11722	15.1
123.83295	4.2
125.09626	7.9
129.07079	6.6
131.08548	51.6
133.10112	67.1
135.08090	11.8
135.11667	30.3
137.05997	8.3
137.09622	11.0
137.13326	4.3
142.07770	5.1
143.03435	4.3
143.08556	19.0
145.10088	66.1
147.11673	54.8
149.09604	6.5
149.13269	13.4
151.11217	7.7
153.01840	4.7
155.08578	5.1
156.09277	6.9
157.10120	18.2
159.11678	47.3
161.05978	4.3
161.09612	10.9
161.13199	27.9
163.11150	10.4
163.14806	7.9
167.10684	8.6
169.10089	6.0
171.11723	16.6
173.13226	36.7
175.07550	4.8
175.11163	5.2
175.14804	34.2
177.12764	6.7
177.16365	21.9
183.11696	6.2
185.13269	20.0
187.14793	81.2
188.15184	5.0
189.16397	22.3
191.14313	18.6
191.17819	5.0
197.13264	5.7
199.14784	22.1
201.16370	58.4
203.14301	22.8
203.17981	12.3
205.15825	59.5
207.17422	5.9
211.14876	7.8
212.16527	3.6
213.16377	10.2
215.14412	6.5
215.17989	4.0
217.15874	7.9
219.17439	14.1
221.15440	9.0
225.16406	4.2
227.17909	8.7
231.17450	6.0
235.16930	8.4
239.18001	5.7
249.14864	5.0
334.23611	15.0
387.30405	4.3
389.19852	5.8
393.31546	8.9
405.31360	21.5
411.32849	5.6
423.32672	34.3
441.33530	13.2
451.31586	13.1
469.33405	21.3
487.20978	34.2
487.30624	40.4
488.24240	5.2
493.89615	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
51.87046	16.7
52.36464	22.3
55.05517	22.9
66.32230	17.6
67.05495	36.1
69.34358	85.8
81.07062	48.4
83.08636	19.0
91.05487	48.2
93.07037	57.0
95.08607	54.1
105.07008	44.5
107.08570	92.1
109.10168	43.7
109.70756	19.3
119.08574	100.0
121.10155	23.1
131.08607	52.5
133.10117	52.0
145.10135	64.6
147.11731	52.2
157.10127	46.4
159.11707	36.4
163.14821	31.3
171.11754	24.9
173.13269	56.9
175.14812	29.4
187.14774	61.7
189.16379	48.7
191.14307	37.7
199.14906	24.8
201.16335	35.7
203.14407	31.3
203.17934	21.2
209.15321	29.2
217.15915	28.8
247.16931	58.2
249.18600	27.1
350.83951	20.8
405.31418	26.0
451.31732	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	487.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.0
57.07066	7.3
67.05495	25.6
69.07051	10.9
69.90558	4.6
69.95689	13.6
79.05495	22.8
80.43525	4.8
81.07056	31.8
83.04971	10.8
83.08620	9.6
91.05466	32.2
93.07053	30.8
95.04961	8.2
95.08609	43.9
97.06544	6.9
105.07015	42.2
107.08596	54.6
109.06539	8.0
109.10167	26.5
111.08078	10.0
117.07019	12.8
118.37198	4.7
119.08574	70.1
121.06525	11.2
121.10123	33.3
123.08024	6.4
125.09623	5.5
128.06187	7.5
129.06995	8.0
131.08569	44.4
133.10132	56.5
135.11684	20.0
143.08517	18.8
145.10100	64.2
147.11623	24.4
149.09647	7.2
149.13199	6.6
153.09059	8.2
157.10095	30.9
159.11676	45.2
161.09595	10.3
161.13277	24.3
163.11208	6.8
163.14807	24.2
169.10059	6.5
171.11664	22.1
173.13268	48.9
175.11169	11.1
175.14783	22.2
177.12672	8.2
177.16348	12.6
183.11697	8.2
185.13264	15.1
187.14799	69.6
189.16373	51.9
191.14270	100.0
191.15933	7.7
191.17969	19.7
197.13124	5.7
199.14848	18.8
201.16331	29.5
203.14243	28.5
203.17957	17.2
205.15891	27.7
211.14906	5.7
213.16275	6.3
217.15849	28.2
231.17529	7.5
235.16893	36.8
247.16927	27.8
249.18527	5.8
405.31390	18.1
423.33093	9.9
439.32123	6.3
451.31982	12.6
487.34470	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	488.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11663	0.6
53.03938	1.0
55.01863	0.9
55.05510	0.7
56.62012	0.6
57.03412	0.9
57.07072	5.1
65.03929	0.7
67.05489	1.4
69.03431	3.9
69.07068	0.8
70.38271	1.4
71.04986	0.8
79.05502	0.7
81.03406	2.9
81.07037	1.7
85.02906	5.4
87.00823	2.3
88.34798	0.6
91.05479	0.9
93.07035	2.3
95.08600	1.9
97.02888	4.8
99.04430	1.1
105.01842	2.6
105.07011	1.6
107.08613	1.5
109.02856	3.4
109.10151	1.3
117.01853	0.6
119.08544	1.5
121.02875	2.6
121.10155	1.1
127.03891	5.9
133.10117	1.1
145.04932	2.4
149.02328	100.0
150.02675	1.5
152.07173	0.6
153.01799	1.9
159.02866	1.5
165.09134	0.7
167.03387	7.4
205.08635	1.1
223.09656	14.1
225.09300	0.8
237.13011	0.6
459.78351	0.7
488.30511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
54.01440	0.4
55.01841	0.5
55.05509	0.7
55.32745	0.3
57.03423	0.4
57.07059	1.5
62.85284	0.3
63.15434	0.4
65.03933	1.2
67.05509	0.8
69.03419	2.4
69.07056	0.6
70.02961	1.1
71.04973	0.8
75.04469	0.7
79.05480	2.3
81.03410	1.7
81.07040	1.6
83.04953	1.1
83.08585	0.7
85.02892	2.8
87.00811	1.0
88.37790	0.4
91.05463	2.0
93.07035	7.3
95.04964	0.9
95.08588	1.8
95.73777	0.4
97.02873	1.6
97.06506	0.5
99.04446	1.3
101.88120	0.4
105.01845	0.8
105.04514	0.4
105.07026	2.1
107.08582	9.3
108.08868	0.3
109.02866	1.9
109.06522	0.9
109.10111	0.6
114.07787	0.4
119.08564	1.7
121.02838	2.4
121.06484	0.5
121.10125	7.1
122.10466	0.4
125.05927	0.5
125.08698	0.7
125.09614	12.2
127.03924	1.8
131.08571	0.7
133.10107	1.7
135.08047	0.7
137.05960	1.0
139.11186	0.5
141.77338	0.4
143.08466	0.6
145.04922	1.0
145.10094	0.7
147.08153	0.4
147.11743	0.5
147.51057	0.3
149.02321	100.0
149.09581	1.7
150.02646	2.1
153.01843	0.3
159.11801	0.5
163.24622	0.3
165.09109	0.6
167.03391	1.6
167.07001	0.4
167.10654	2.6
175.11165	0.4
179.04160	0.4
187.14871	0.5
191.14432	0.4
193.12178	0.8
205.08566	3.2
223.09622	13.0
224.10138	0.3
250.91640	0.4
259.77222	0.4
311.14883	1.5
435.23080	0.4
477.29883	0.4
489.17957	0.6
492.13535	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	488.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	51.8
69.03419	4.2
78.26497	1.1
81.03407	4.1
85.02898	3.8
87.04431	2.5
88.33995	1.0
91.48675	1.0
97.02879	3.3
101.06020	14.2
109.02863	3.9
115.03927	15.7
127.03919	3.9
129.05469	100.0
130.05804	1.5
145.04919	2.9
147.06514	26.9
153.01788	1.3
273.09637	6.0
291.10770	13.2
488.17899	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	489.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94916	1.1
55.05499	1.7
56.45403	1.0
56.96296	1.9
56.96560	23.5
57.44889	1.0
67.05491	1.3
68.75900	1.2
69.03403	1.3
69.07031	2.2
71.04947	1.2
81.07012	1.9
84.73746	1.1
84.95983	1.6
93.07011	1.5
95.08553	2.0
98.97572	63.7
99.04429	1.4
109.02831	1.7
109.10120	3.4
116.98618	24.2
119.08535	1.6
127.00711	1.6
134.99615	6.6
137.09569	1.5
141.02177	1.4
145.01605	1.8
153.01979	2.5
155.03699	1.5
158.99641	22.3
159.03262	1.5
165.09059	1.9
171.03252	17.2
177.00685	25.0
181.05220	1.4
183.03276	1.1
185.01227	1.1
185.04756	3.8
189.02869	2.0
189.04353	25.5
195.06827	2.7
197.08327	3.1
199.06398	1.3
203.05901	8.5
207.05347	10.3
211.06412	12.8
213.07797	2.5
215.07387	1.4
215.09483	2.8
219.01685	4.1
221.06885	3.9
229.07376	6.2
233.08324	1.2
237.02861	2.4
249.11549	13.6
265.11014	1.5
267.12665	56.6
268.12897	1.5
279.03638	1.6
285.13715	100.0
286.14005	1.7
290.13995	1.5
303.14761	15.8
308.15045	1.3
309.13699	96.6
310.13870	2.7
310.36224	1.4
327.14774	70.3
328.14804	2.2
338.85352	1.2
345.15402	1.3
350.16220	2.4
369.15820	19.4
373.14496	1.5
424.23468	1.1
429.17978	17.6
431.18530	1.7
447.13385	1.1
447.19025	19.7
489.19827	49.9
490.20187	1.6
506.20679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2094
Annotation	Ala His Phe Asp
Peak:m/z	Relative Intensity
67.05482	1.1
69.07059	6.4
69.77552	1.2
69.77928	1.3
70.75371	0.6
79.05486	1.1
81.07055	2.1
89.04091	1.8
91.05470	0.9
93.07072	1.1
95.08554	0.9
98.23374	0.8
105.07022	1.2
107.08582	8.2
109.10146	1.4
113.04060	2.2
119.99827	0.6
123.11667	0.6
125.09615	4.7
131.04919	0.6
137.05923	1.5
143.10675	1.4
151.07544	0.9
153.01830	10.5
159.04147	0.9
161.06055	0.6
161.09547	0.7
165.09058	1.0
169.10278	4.1
175.07484	0.7
184.65453	0.6
187.11349	2.2
189.03529	1.3
189.05202	18.7
203.06773	6.8
204.07402	1.6
213.12617	0.7
217.08321	5.8
233.07787	0.8
254.32356	0.6
277.10327	1.6
291.12015	5.3
321.10873	0.6
329.19168	1.1
398.21234	0.5
399.13989	1.4
414.16351	6.2
457.17917	0.9
489.20798	100.0
490.20993	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	489.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31958	17.6
55.71069	17.9
56.96568	28.2
60.83007	17.0
68.10827	20.1
70.13711	55.5
84.04501	77.0
98.23250	42.7
115.24777	20.4
127.31579	20.5
128.98688	18.2
130.04993	100.0
134.13499	24.5
140.00229	25.3
142.01762	54.6
147.07649	64.4
159.61482	19.9
160.02834	61.4
178.03697	19.7
203.03349	35.0
221.04533	45.1
301.07034	86.3
396.88565	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01864	2.9
55.05502	7.9
57.03423	3.5
57.07048	1.7
59.04992	8.5
67.05491	19.1
69.03419	8.0
69.07059	15.1
71.04982	13.3
79.05486	11.1
81.03406	6.2
81.07046	20.9
83.04984	4.7
83.08598	3.0
85.02885	13.2
85.06535	8.7
87.00836	3.7
91.05444	13.4
93.07021	20.8
95.04959	7.8
95.08601	32.8
97.02887	5.1
97.06527	5.9
97.36660	1.7
99.04448	6.4
99.08083	9.6
101.05982	1.9
103.05458	2.2
103.07578	5.0
105.01849	4.2
105.03387	2.4
105.07019	22.1
107.04924	2.6
107.08574	19.6
109.02847	4.4
109.06512	13.1
109.10141	39.1
111.04433	2.9
111.08082	7.3
111.11729	3.1
113.06027	2.9
113.09633	17.6
117.06973	3.9
119.04926	2.4
119.08567	19.3
121.06493	6.1
121.08598	2.0
121.10100	10.7
123.04385	1.9
123.08051	40.7
123.11713	4.1
125.09643	3.4
127.03899	10.7
127.11198	4.6
128.06267	2.2
129.06975	3.3
131.04901	2.0
131.08600	9.2
133.02826	2.3
133.06473	5.4
133.10121	13.8
135.08049	6.5
135.11655	5.2
137.05969	13.4
137.09573	20.2
137.13171	2.2
141.09064	3.9
143.08585	9.7
145.04939	2.4
145.06454	2.8
145.10118	12.0
147.04402	2.5
147.08044	6.0
147.11653	5.6
149.09563	6.7
149.13197	3.8
151.07538	7.8
151.11137	9.1
151.51147	2.0
153.01814	11.5
153.12730	9.4
155.08553	7.7
157.10144	8.1
159.08029	5.6
159.11671	4.8
161.05963	5.8
161.09624	9.1
161.13269	6.2
163.07559	3.4
163.11102	4.6
165.09088	100.0
167.07010	3.1
167.08469	2.5
167.10562	2.3
169.08780	1.8
169.10109	5.8
171.08089	2.8
171.11604	2.7
173.09605	10.5
173.13194	6.2
175.07498	3.4
175.11168	7.6
176.08293	15.5
177.09067	2.9
179.10698	5.0
179.14330	2.5
181.10089	3.1
181.12276	3.7
183.11684	5.7
185.09734	3.0
185.13216	3.7
187.07594	2.6
187.09595	3.7
187.11160	4.0
187.14801	4.1
189.09149	4.4
189.12688	4.1
193.10121	3.3
193.12189	2.2
195.11719	6.7
197.09615	2.4
197.13123	4.3
199.11166	3.8
199.14836	3.9
203.10637	5.3
203.14301	2.1
205.12199	2.3
207.10097	22.6
207.11734	1.9
207.13618	4.4
209.09735	2.8
209.13232	5.0
211.11140	2.4
211.14673	2.0
213.12720	5.2
215.14267	5.9
221.09674	2.1
221.13255	3.3
223.11171	2.4
224.11819	2.0
225.12743	4.7
225.14833	11.0
229.12170	2.4
231.04994	2.0
231.13820	3.9
233.15309	6.3
237.12662	2.6
237.16386	3.3
239.14340	3.2
244.23483	2.1
250.13268	2.4
251.09296	2.0
265.15952	3.6
267.17361	2.6
283.16809	21.3
285.18549	2.9
287.16595	2.8
291.45734	2.0
299.16748	2.0
301.17935	88.3
302.18259	5.4
303.19327	2.5
309.18610	3.0
327.19644	3.9
328.20410	2.1
337.23639	3.6
355.22617	6.4
375.26782	3.0
393.27820	5.7
395.25732	3.4
409.26962	3.1
411.28891	32.7
413.26865	24.6
417.27792	2.1
425.30856	2.2
427.28030	4.5
429.14066	5.9
429.29904	8.4
435.29126	9.1
453.29956	54.9
454.30078	3.3
471.30991	27.8
489.18604	2.2
489.32138	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	489.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.3
57.03426	4.8
59.05008	7.2
65.03900	2.2
67.05495	19.7
69.03410	2.5
69.07061	24.0
70.36143	1.4
71.04993	2.3
77.03928	1.5
79.05473	11.4
81.03382	2.1
81.06559	2.5
81.07047	48.7
83.04993	4.8
83.08571	2.5
85.02903	1.5
91.05482	9.5
93.07028	18.1
94.78374	1.4
95.04967	17.6
95.08588	19.4
97.06538	10.5
99.04469	1.7
99.08088	18.9
105.07018	13.9
107.04922	2.6
107.08580	17.8
109.06497	9.5
109.10145	23.0
111.08057	5.5
115.05447	1.8
115.07558	3.6
117.07018	2.5
119.04893	2.2
119.08566	12.6
121.06506	4.9
121.10145	8.0
123.08044	12.8
123.11688	2.0
125.09628	11.4
127.03925	1.8
127.11169	7.3
129.07016	4.5
130.07794	2.0
131.08557	9.7
133.06512	2.4
133.10083	8.4
135.08038	4.0
135.11694	8.0
137.05968	8.2
143.08551	7.9
143.10693	2.2
145.06473	2.7
145.10088	15.9
147.08049	4.0
147.11670	6.5
149.09596	3.8
149.13237	1.8
151.11160	18.2
153.01787	1.8
153.12782	7.9
155.08540	6.5
157.10139	4.3
159.08066	4.7
159.11655	7.2
161.09599	4.7
161.13240	2.2
163.07539	1.9
163.11151	3.5
165.07056	1.9
165.09071	2.6
165.12726	7.5
167.08575	2.7
169.10068	5.9
169.12257	4.7
171.08028	5.0
171.11671	3.8
171.13780	10.1
173.09613	16.3
173.13202	10.4
175.07498	2.8
175.11206	4.6
175.14832	1.9
178.32172	1.6
181.10110	4.4
182.10884	2.1
183.11664	4.1
185.09563	3.2
185.13260	4.8
187.07602	2.5
187.11137	4.1
187.14934	2.2
189.09114	5.3
191.07048	2.0
191.10649	5.5
191.14313	8.8
193.10042	1.8
195.11673	7.4
197.09578	1.8
197.13261	7.0
198.01826	1.6
199.11128	5.9
201.12717	3.9
209.09624	2.8
209.13406	2.5
209.15361	5.0
211.11145	3.6
211.14664	2.4
213.09064	1.7
213.12724	10.9
215.14314	4.0
219.13632	2.3
223.11191	4.9
223.14687	1.6
225.12720	5.0
227.14249	2.3
231.13797	6.4
237.12781	2.2
237.16380	4.9
239.14362	4.8
241.12273	3.2
249.14845	6.3
250.13432	1.9
251.14317	2.0
253.16017	2.2
255.17447	4.0
257.15445	2.4
265.15747	6.3
271.17078	2.3
281.15372	2.0
283.16888	18.2
284.17459	2.4
293.13879	3.3
293.18826	2.8
295.20453	2.3
299.16580	2.8
301.17941	100.0
302.18564	6.0
303.19635	4.0
311.14972	2.9
311.20053	6.7
313.21420	3.9
317.20938	3.7
319.19019	3.7
329.20981	10.8
331.19162	2.1
331.22552	7.5
339.19556	1.7
347.22171	10.0
351.64548	1.7
353.21008	2.8
357.20645	4.3
371.22134	11.9
375.21936	1.6
409.27332	9.5
427.28433	27.4
428.28940	1.9
435.28690	2.0
445.29376	17.8
446.29758	1.7
453.30060	10.3
471.31064	39.0
472.30887	2.1
489.22629	26.6
489.31955	37.5
490.32523	2.4
504.26886	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01870	2.5
55.05506	9.2
59.04994	5.8
59.09193	1.3
67.05506	22.4
67.13957	1.3
69.03433	2.4
69.07059	19.7
69.31484	4.6
71.04988	3.0
79.05495	6.1
81.07051	18.5
83.04972	3.7
83.08613	11.7
85.02904	1.6
85.06532	2.6
91.05473	7.7
93.07034	18.3
93.07536	2.0
95.04973	4.0
95.08603	27.0
97.02918	1.6
97.06531	3.9
98.22898	4.8
99.04517	1.7
105.07041	10.1
107.08591	16.6
109.06519	5.6
109.10146	100.0
111.08071	11.7
117.06981	2.8
119.04942	1.6
119.08587	7.5
121.06503	3.6
121.10152	5.0
123.08043	4.2
123.11703	3.4
127.11183	22.6
129.07002	1.9
129.09148	4.5
131.04897	2.1
131.08580	6.1
133.06468	1.8
133.10120	4.7
135.08032	2.7
135.11688	22.0
137.05946	8.9
137.09618	7.0
137.13211	2.4
143.08582	4.2
145.10094	7.4
147.08044	4.1
147.11656	3.8
149.09605	1.6
149.13239	3.7
151.07564	1.8
153.12740	19.1
155.08542	2.3
155.10693	1.6
157.10133	4.6
159.08064	3.9
159.11722	4.3
161.05965	2.0
161.09590	3.5
161.13245	1.4
162.06889	1.3
165.09119	3.6
165.12727	2.5
167.08539	1.6
167.14406	1.5
169.10109	3.8
171.08014	4.3
171.11589	3.0
171.13791	14.5
173.09641	9.1
175.07602	1.9
176.08455	1.7
181.10086	1.8
182.10898	2.2
183.11748	2.9
185.09624	3.9
185.13225	2.2
187.11179	3.4
189.09087	4.4
191.10674	3.8
194.11028	1.6
195.11679	3.6
197.09616	2.8
198.10339	1.4
199.11194	5.3
201.12845	1.5
203.07024	1.6
207.10120	2.5
209.13289	2.2
211.11162	2.9
213.12755	4.8
217.12206	2.1
223.11279	1.7
223.14836	2.0
225.12762	3.4
231.13753	3.1
237.12750	2.0
237.16420	2.3
239.14287	4.2
241.15939	1.7
243.13939	1.8
249.14801	2.2
251.10808	1.5
255.13782	3.1
257.15399	3.6
265.15918	3.3
273.14725	1.6
279.15909	1.8
283.16940	4.2
285.11136	1.7
287.16318	2.4
289.17941	2.1
299.20056	3.3
301.17972	26.8
302.18613	1.9
315.19455	6.6
317.21063	9.0
319.18744	3.1
333.20618	2.0
371.22168	1.5
409.27408	4.6
413.26886	1.6
427.28351	17.3
428.28775	1.9
445.20358	4.5
445.29440	17.5
453.29901	10.5
460.20001	1.7
471.31094	26.3
489.09906	2.3
489.22702	21.4
489.31839	33.1
490.23257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.03399	1.6
50.66997	1.7
53.03963	1.6
55.01871	3.0
55.05507	22.7
57.03426	5.5
57.07080	3.4
58.37013	1.7
65.03927	2.1
67.05501	54.4
69.03420	1.6
69.07067	16.7
69.13668	9.2
79.05489	32.2
81.07051	38.2
83.04993	1.8
83.08628	10.8
85.06536	1.9
90.00356	1.8
91.05475	26.6
93.07036	31.6
95.04966	5.5
95.08605	23.2
97.06526	4.4
97.10164	4.3
98.23438	3.3
105.07030	30.6
107.08575	15.9
109.10152	24.9
111.08057	4.4
117.07029	11.8
119.08571	40.8
121.10148	13.4
123.08051	2.2
123.11748	1.8
125.09683	2.2
129.06989	8.2
131.08549	19.9
133.10114	17.0
135.11699	7.6
137.09622	2.9
141.07019	4.0
143.08577	10.5
145.10110	24.2
147.11647	13.1
149.13264	3.5
155.08594	4.9
157.10144	7.6
159.11659	11.4
161.13240	7.9
161.23485	1.4
169.10184	4.6
171.11732	5.7
173.11731	7.0
173.13287	8.5
175.14824	4.7
177.16367	2.2
181.10014	2.0
183.11719	5.5
185.13237	8.5
187.14815	8.6
196.42441	2.1
197.13303	4.8
199.14886	4.8
201.16434	5.5
211.14986	3.2
213.14674	2.3
213.16432	4.4
215.14444	1.7
261.22205	3.4
267.21274	1.7
275.20047	2.1
285.22021	3.6
289.21793	2.0
299.23602	2.9
377.27286	3.3
379.29984	15.6
380.30212	1.8
391.28510	3.0
397.30988	24.9
415.32080	4.9
433.33200	3.0
471.34732	16.9
489.35806	100.0
490.36203	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	489.3572
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03940	2.5
55.01842	2.1
55.05508	22.0
57.03438	4.1
57.07077	4.5
57.34021	1.3
58.20365	1.4
59.04991	4.2
59.87384	1.2
65.03930	2.3
67.05500	99.4
69.03416	1.4
69.07063	14.7
71.04987	5.1
77.03940	1.2
79.05487	36.9
80.05814	1.5
81.07052	46.0
83.04979	2.0
83.08619	12.6
83.53249	1.3
85.06525	2.3
88.92211	1.2
91.05471	30.6
93.07038	41.5
95.04961	4.2
95.08594	29.5
97.06517	4.5
97.10168	3.2
105.07021	25.9
107.08586	22.3
109.06511	2.7
109.10143	52.5
111.08104	2.6
111.26833	1.3
117.07014	8.9
119.08568	28.3
121.10135	18.0
123.08018	1.5
123.11751	2.6
124.71186	1.3
125.09656	2.3
129.07016	5.5
130.07825	1.6
131.08545	15.4
133.10115	18.7
135.11690	12.0
137.09578	3.1
139.11208	2.1
143.08582	6.8
145.10098	17.9
147.11671	13.4
149.13257	5.1
155.08574	2.6
155.10666	3.4
157.10132	3.8
158.01149	1.4
159.11668	11.4
161.13184	7.2
163.14867	1.7
169.10100	2.9
170.70703	1.4
171.10342	1.2
171.11630	6.4
173.11748	17.5
173.13278	8.3
175.14839	3.0
183.11761	3.9
185.13283	5.1
187.14862	4.0
197.13260	2.7
199.14867	3.7
211.14905	1.7
213.14740	1.5
213.16510	1.7
229.14349	2.7
243.21210	2.3
245.19145	1.5
253.19519	1.5
255.21164	1.3
259.20621	2.2
261.22144	7.9
285.22076	2.7
299.23587	2.6
317.24753	3.2
377.26761	1.9
379.30038	9.7
391.28510	1.6
397.30899	15.3
398.60577	1.6
415.32239	5.4
433.33411	1.7
471.34805	12.9
489.35733	100.0
490.35974	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	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.02377	1.3
51.42012	0.7
53.03950	1.6
55.01873	0.7
55.05507	20.5
55.40677	0.7
57.03438	3.7
57.07068	2.9
59.04993	3.3
65.03936	3.0
67.05500	100.0
68.05834	1.3
69.07063	13.8
69.13514	2.2
69.13921	3.0
71.04994	3.4
77.03931	0.8
79.05489	33.4
81.07050	43.3
82.13956	0.7
83.04985	1.6
83.08609	10.6
85.06550	3.0
91.05473	24.9
93.07039	39.3
95.04961	5.9
95.08600	28.1
95.09212	1.2
97.06526	2.4
97.10179	2.3
99.08094	1.1
103.05518	0.8
105.04501	1.1
105.07023	18.6
105.91006	0.7
107.08583	18.4
109.06562	1.6
109.10149	61.1
111.08073	4.2
117.06990	8.6
119.08571	24.8
119.09421	1.4
120.08846	1.3
121.10140	17.0
122.72264	0.8
123.08097	1.3
123.11700	2.2
125.09641	2.2
125.48924	0.8
129.06993	3.6
131.08549	12.6
131.09453	1.0
133.10117	14.1
135.08072	0.8
135.11694	11.0
137.09628	3.1
137.13214	1.0
139.11176	1.2
141.07056	1.2
143.08528	3.7
145.10123	14.6
147.11684	11.7
149.09639	1.0
149.13237	4.8
155.08557	1.7
155.10677	3.5
157.10124	4.4
159.11679	9.0
161.13243	6.8
163.14867	1.6
169.10109	1.4
171.11679	3.5
173.11743	16.1
173.13272	8.3
175.14825	2.4
181.10207	1.0
183.11732	1.9
185.13272	2.7
187.14833	3.1
189.16467	0.9
191.14436	0.8
195.11824	1.0
197.13316	2.2
199.14839	2.7
201.16452	1.4
211.14842	0.8
212.13240	0.8
213.16519	1.3
225.16223	1.0
227.18054	1.0
229.14319	1.5
239.18044	1.0
243.21132	1.1
259.20425	1.1
261.22098	7.6
273.22266	1.2
285.22174	1.7
295.20724	0.8
317.24826	3.0
377.26804	1.7
379.29956	5.5
391.28705	0.9
397.31006	9.2
415.32199	2.9
433.33557	0.8
435.32483	1.0
453.33319	1.0
471.34653	9.1
489.35754	84.8
490.36075	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	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.33138	3.1
55.05503	11.0
55.12388	3.7
67.05495	19.3
69.07051	16.3
69.25784	18.6
70.76467	3.6
79.05499	12.2
80.22445	4.4
81.07055	39.5
83.04994	7.2
83.08605	9.2
91.05472	18.1
93.07041	33.1
94.58687	3.8
95.08595	62.9
97.06535	4.7
105.07014	48.6
107.08596	55.8
109.10144	38.8
111.08063	8.1
114.69123	3.8
115.69985	5.2
117.07012	12.1
118.13802	4.1
119.08566	64.1
121.06467	6.6
121.10130	42.2
123.08065	8.2
123.11722	18.9
131.08530	41.0
133.10115	49.7
135.08022	5.9
135.11676	17.3
143.08597	7.6
145.10091	48.2
147.08017	4.9
147.11659	41.4
149.13266	12.0
153.09090	5.5
156.16292	5.2
157.10120	7.2
159.11688	26.9
161.09589	11.3
161.13220	23.8
163.11154	7.1
163.14828	16.2
171.11668	7.3
173.13226	47.7
175.11203	7.3
175.14807	35.4
177.12766	5.2
177.16367	39.9
185.13179	6.0
187.14799	46.2
189.12758	6.0
189.16354	34.2
191.14268	41.0
191.17940	10.1
199.14824	15.1
201.16376	17.9
203.14308	30.2
203.17899	65.1
205.15872	100.0
205.19502	8.1
209.15402	5.8
213.16344	8.1
215.17950	6.5
217.15913	6.8
221.15346	14.4
223.17000	6.4
227.17992	4.5
229.19539	4.8
231.17442	6.9
235.16917	9.8
249.18468	23.5
294.54373	4.2
377.31952	6.5
379.33279	6.4
389.31808	7.3
395.33505	6.6
407.32993	25.2
425.33966	16.7
435.32507	15.2
453.33444	18.9
465.43231	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	490.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
55.01846	5.8
55.05503	16.2
55.45605	3.0
57.03430	6.5
60.28225	2.9
67.05498	40.4
69.03426	17.7
69.07059	15.0
79.05482	33.5
81.03407	25.8
81.07050	93.0
83.04973	11.4
83.08604	13.1
85.02906	10.3
85.06523	5.9
91.05470	36.6
91.93827	3.5
93.07021	32.6
94.07337	4.6
95.04945	15.2
95.08603	17.7
97.02898	8.0
97.06535	6.4
99.04451	7.8
99.08062	5.3
105.07024	47.3
107.04983	5.5
107.08575	20.9
108.61415	3.5
109.02859	20.3
109.06490	6.0
109.10167	10.3
117.06972	5.5
119.08561	41.7
121.10130	32.3
123.08057	7.3
123.11678	30.7
127.03912	28.9
127.07557	4.6
133.10106	9.3
135.11638	5.1
138.73120	4.1
145.10107	7.8
147.10565	7.0
147.11671	100.0
157.10069	6.6
163.11168	4.0
165.12737	58.9
171.11673	5.3
175.11076	5.5
183.13791	20.5
183.15237	3.1
189.58633	4.0
193.12160	18.9
208.14162	3.8
209.11761	4.8
211.13243	12.0
229.14328	95.2
319.15268	10.6
337.16339	36.7
338.16693	5.0
355.17468	39.8
373.18649	8.4
399.35364	4.1
472.31458	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1889
Annotation	Toonaciliatin J
Peak:m/z	Relative Intensity
69.18178	1.7
69.18581	0.9
81.07050	0.9
84.18063	0.4
91.05477	0.9
93.07049	0.8
95.04993	0.4
98.23309	1.4
103.05508	0.4
105.07037	0.7
115.05446	0.6
117.06994	0.7
119.04959	0.8
122.03606	0.5
125.31882	0.4
126.03806	0.3
129.06993	0.9
131.04980	0.8
137.05977	6.4
142.09547	0.4
146.03572	0.7
147.08153	0.5
149.06052	0.5
151.07512	2.3
151.66196	0.4
161.05983	2.6
162.02864	2.7
163.07532	0.6
165.09100	0.5
169.04790	0.8
174.06686	0.5
175.07567	1.6
177.09134	0.6
189.07060	0.4
189.09151	0.9
195.10161	0.8
207.10118	0.8
223.07343	0.5
234.06631	0.6
249.09189	1.1
251.07256	0.5
251.10527	0.4
252.07803	0.6
253.08498	0.5
261.05478	0.4
265.08600	0.6
267.10251	0.4
277.08499	2.2
279.10123	0.7
280.07327	0.7
282.08923	0.5
283.09683	0.6
285.06491	0.4
291.10184	0.6
295.09537	2.5
297.11224	0.7
309.11166	1.6
311.12854	0.8
323.12747	0.5
337.14087	0.4
343.94852	0.4
351.14169	1.5
353.13586	0.6
359.14578	0.5
459.17609	0.7
473.19644	0.8
491.18835	100.0
492.19305	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	491.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
63.42229	0.7
65.03925	1.6
67.05503	1.9
69.12088	1.9
69.12494	3.2
73.57456	0.7
79.05490	4.5
79.94193	0.9
81.07043	2.7
81.15454	0.8
84.81593	0.8
89.03902	1.1
91.05473	13.3
93.07048	3.1
94.04159	4.4
95.04987	2.8
95.08598	1.6
96.77551	0.7
103.05456	6.8
105.04497	1.0
105.07023	9.9
107.04948	4.4
107.08614	1.9
107.87033	0.7
108.05733	1.2
109.06511	3.9
109.10170	1.1
115.05452	6.0
117.07021	6.0
118.04160	1.6
119.04945	4.9
119.08626	1.5
121.06504	5.4
122.03649	7.8
123.08059	4.4
128.06245	2.3
129.06993	8.1
129.07869	1.0
131.04926	10.4
131.08607	1.2
132.05751	1.9
133.06467	4.0
135.04425	1.3
135.08066	3.5
136.05247	2.0
137.05966	100.0
138.06340	3.1
141.06972	1.8
143.04904	1.2
145.06474	4.0
146.03613	8.2
146.04538	0.9
146.07234	1.1
147.04411	1.0
147.08075	2.6
148.05200	1.5
149.05942	4.1
149.09624	2.4
151.03917	4.9
151.05019	1.3
151.07527	42.6
152.07863	1.4
153.07019	1.4
156.05647	0.9
157.06488	4.3
158.07239	1.1
159.08061	1.7
160.05200	2.5
161.05963	49.0
161.09573	3.9
162.06465	2.6
163.07527	12.2
165.05693	0.9
165.07021	3.1
165.09090	4.4
166.07892	1.0
167.07091	0.8
169.06485	2.8
172.05177	0.8
173.05984	0.9
174.06779	2.5
175.07530	24.1
176.07983	1.3
177.05531	1.4
177.09097	20.6
178.06351	0.9
178.07788	1.8
178.09334	0.8
179.08601	1.2
181.05026	1.8
181.06465	1.7
182.07367	1.1
185.05930	0.9
187.07590	2.5
189.07047	3.9
189.09149	13.1
191.07030	4.2
191.08540	1.5
191.10634	1.0
193.06561	1.5
193.08603	1.7
194.07336	2.8
195.08176	2.8
195.10139	22.0
195.11940	1.3
197.06018	2.0
199.07562	1.3
201.09135	3.6
202.07825	1.4
203.08583	1.5
205.06509	2.7
206.07275	4.3
207.08090	2.2
207.10220	5.2
208.08852	1.0
209.07996	1.9
209.09782	1.6
210.06776	1.5
211.07536	2.2
213.09142	1.0
217.06494	3.7
218.07280	2.9
219.08075	4.6
219.10217	4.6
220.05222	1.0
221.05995	3.2
221.09657	1.9
222.06770	2.5
223.07536	2.5
224.08310	1.6
225.09164	2.8
227.06970	1.8
229.10263	1.0
231.08156	2.7
233.05933	2.1
233.09703	1.3
234.06758	13.2
235.07547	6.3
236.08263	1.1
237.05563	1.6
237.09184	3.6
238.06255	1.5
239.07112	2.5
239.10628	1.7
240.07942	0.8
241.08498	1.2
242.09276	0.9
245.05974	2.5
245.09583	1.1
246.06813	2.0
247.07607	3.2
248.08354	2.8
249.05438	1.6
249.09117	14.8
250.06384	1.4
250.09683	1.6
251.07047	3.5
251.10744	2.7
252.07755	2.6
253.08534	5.6
254.09323	1.6
257.09579	1.7
259.07581	2.0
261.09225	2.5
262.06262	10.9
263.06970	5.5
263.10867	1.6
264.07877	2.0
265.08527	9.1
265.10852	0.9
266.09454	1.3
267.07013	1.1
267.10159	3.7
268.07193	1.9
269.07932	1.6
272.10480	1.2
274.09891	1.1
276.07693	1.5
277.08572	43.8
278.06519	0.8
278.09210	4.7
279.06790	1.8
279.10208	6.1
280.07245	2.3
280.10941	0.8
281.08160	4.5
281.11771	1.0
282.08911	3.6
283.09586	4.6
284.10330	2.0
285.11526	5.1
289.12393	1.0
291.06973	1.2
291.09973	4.6
293.08243	1.1
293.11771	1.1
294.08737	4.9
295.09570	10.0
296.10532	4.1
297.11276	12.7
302.09549	1.0
303.10275	1.3
305.11975	1.1
306.09018	1.0
307.09894	1.3
308.10742	1.7
309.11234	32.0
310.11819	5.4
311.12921	9.9
317.11356	1.5
317.14273	1.5
321.11334	3.0
323.13239	3.8
325.12360	1.3
326.09250	1.0
327.10349	1.5
330.14691	1.7
335.13040	4.3
337.08310	1.6
338.09485	1.9
339.10141	1.4
340.10818	1.3
342.08972	1.2
343.09677	1.0
343.15555	2.3
349.14389	2.7
353.07840	0.9
353.13989	1.4
357.11389	2.5
367.09668	1.3
367.15564	4.0
369.11261	1.9
371.13037	1.6
381.11124	2.1
383.12860	2.3
385.10541	1.3
397.14963	0.9
398.11182	1.2
399.11829	1.1
399.16327	1.0
400.13171	1.9
409.14572	1.8
412.12704	1.1
413.13974	3.4
415.15558	4.7
417.13162	1.4
426.14609	1.7
427.15277	0.9
431.18622	2.8
432.15720	1.9
441.17105	4.2
445.16321	7.7
447.18027	10.3
459.17987	15.1
473.19864	5.0
476.18521	1.5
491.21698	59.5
492.21387	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	491.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.5
51.07458	1.5
53.03942	7.1
55.01869	29.9
55.05508	56.9
57.03432	12.3
57.07050	3.4
59.04998	7.4
64.83989	1.1
65.03918	4.4
67.05499	51.5
69.03401	3.7
69.07073	15.3
69.53592	1.2
71.01321	5.0
71.04988	16.8
73.02856	2.2
73.06546	1.5
77.03909	3.1
79.05489	82.9
81.03415	42.3
81.07052	66.5
83.00883	2.0
83.01336	28.2
83.01815	1.1
83.04973	41.6
83.08611	31.6
83.25235	1.3
85.02906	11.6
85.06503	3.6
87.04407	1.3
91.05471	56.9
93.07037	92.0
95.04963	38.0
95.08598	28.3
97.02872	9.6
97.06527	15.2
97.10141	7.3
99.04455	6.2
99.08063	1.5
103.05408	2.3
105.04464	5.8
105.06360	2.6
105.07020	40.1
107.04948	29.2
107.08582	44.2
109.02817	2.2
109.06512	24.6
109.10146	8.4
111.04424	10.2
111.08075	6.3
111.11670	1.8
113.05917	1.6
115.05413	4.0
116.06212	1.5
117.07010	30.9
119.07765	2.0
119.08573	30.3
121.06486	16.2
121.10133	24.1
122.16768	1.5
123.04391	2.0
123.08060	27.8
123.11646	1.3
125.05950	5.8
125.09595	6.4
128.06151	2.9
129.06987	10.6
130.07813	6.7
131.04944	1.8
131.08568	15.8
133.10117	7.6
135.04393	1.8
135.08086	10.5
135.11687	39.4
137.09555	4.1
139.07529	2.7
143.08507	4.6
145.06448	4.4
145.10112	53.2
147.08020	7.3
147.11612	3.9
149.09572	3.2
151.56813	1.2
153.06877	1.2
153.12741	12.3
155.08546	6.2
157.10078	2.1
159.11668	1.4
161.09534	1.6
163.11172	100.0
165.09103	2.3
173.09608	13.1
181.12209	16.2
189.11079	1.4
191.10678	12.6
193.12250	2.3
193.62212	1.2
207.13687	1.3
209.11681	28.9
219.13831	2.1
227.12741	14.5
253.66272	1.7
283.15204	3.1
349.20911	1.5
367.22467	3.2
385.23459	4.4
459.27682	8.9
473.28558	1.8
491.25995	82.6
492.26477	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	491.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.6
55.01871	17.6
55.05506	89.6
57.03432	8.4
59.04988	4.9
65.03934	6.1
67.05161	3.9
67.05503	60.6
69.03432	13.7
69.07067	23.0
70.06615	1.8
71.04986	7.3
73.02911	3.3
73.99786	2.2
77.03924	3.9
79.05485	66.4
81.03410	58.5
81.07053	55.4
83.04990	14.3
83.08617	52.1
85.02899	10.1
85.06528	5.4
85.36843	1.9
87.00774	2.5
91.05473	49.6
93.07035	43.3
95.04960	45.5
95.08601	23.2
97.02884	12.0
97.06512	9.4
97.10159	80.1
99.00811	7.0
99.04446	3.3
103.05463	3.2
105.01873	3.2
105.04484	4.3
105.07011	34.6
105.58086	1.8
107.04953	47.9
107.08588	38.5
108.08886	2.6
109.02870	19.7
109.06509	20.4
109.10145	15.0
110.06202	1.9
111.04437	4.5
111.08083	10.0
115.05449	2.1
117.06997	18.5
119.08575	24.8
121.02889	3.4
121.06490	28.9
121.10127	14.8
123.04401	4.0
123.08053	5.9
123.11699	6.4
125.06002	2.5
125.09624	71.5
127.03915	11.4
128.06190	4.4
129.06996	13.0
131.04901	2.9
131.08572	23.9
131.47867	2.3
133.06496	8.8
133.10104	22.3
135.04378	3.3
135.06128	1.9
135.08046	12.7
135.11699	7.4
135.70824	1.9
137.05998	2.6
137.09618	5.8
141.06995	3.6
142.07744	2.0
143.08595	9.5
143.10570	4.0
145.04916	4.7
145.06476	14.2
145.10080	13.8
147.04422	3.1
147.08052	7.8
147.11667	6.6
149.06094	2.6
149.09618	7.0
151.03934	4.0
151.11137	4.9
153.09123	10.2
155.08549	5.9
157.10120	9.1
159.02876	3.3
159.08060	5.0
159.11693	6.0
161.05940	4.1
161.09592	19.0
161.13214	2.1
163.11137	12.5
165.09088	18.2
166.63860	2.2
167.10641	2.7
169.10049	4.2
171.08043	6.4
171.10109	6.7
171.11601	4.3
173.09587	4.3
173.13269	9.0
175.07457	2.0
175.11147	7.6
179.10655	8.3
181.06384	2.3
185.09547	2.8
186.78271	2.4
189.09122	10.5
189.11209	53.9
189.12675	2.2
191.14302	12.9
193.12244	22.1
195.11743	2.9
197.11589	2.1
199.11200	3.7
199.13213	3.8
201.12694	4.7
207.10143	4.2
209.11656	5.5
211.11166	2.9
213.12686	4.3
215.14287	2.3
217.12192	3.1
219.13785	87.1
220.14268	2.3
223.13130	2.3
225.11165	16.7
227.12712	28.1
227.14729	2.6
229.12234	2.3
233.15269	3.9
245.11815	3.8
249.14886	5.9
263.12796	17.7
273.14764	2.8
275.16504	6.3
281.13895	6.1
287.16428	2.3
343.22540	2.2
349.21622	6.5
353.21027	5.5
355.22949	2.9
363.19589	2.6
367.22519	11.8
371.22095	12.5
381.20621	10.6
385.23672	11.1
389.23495	9.2
399.21637	11.4
403.24649	2.5
407.24106	5.8
417.22678	5.8
437.23767	2.2
445.25815	20.8
447.27682	3.5
459.27390	21.6
463.27072	15.9
473.24820	20.1
491.25555	100.0
492.26312	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	491.3
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02371	2.2
53.03935	10.0
54.93179	2.1
55.01863	6.4
55.05257	3.1
55.05503	42.5
57.03432	13.1
57.07093	2.1
58.43367	1.9
65.03938	5.7
67.05499	69.9
69.03419	5.2
69.07064	13.9
69.74149	3.6
71.04976	9.2
77.03926	3.3
79.05486	96.1
79.05949	4.8
81.03410	66.8
81.03897	3.4
81.07045	71.1
83.04970	23.9
83.08613	26.1
85.02898	22.4
85.06519	3.6
91.05472	100.0
93.07040	68.1
94.07420	2.1
95.04949	46.4
95.08595	28.6
97.06519	7.8
97.10137	6.5
99.08114	2.6
103.05442	3.2
105.04494	5.9
105.06346	4.3
105.07017	64.7
106.07341	2.2
107.04939	17.0
107.08585	21.8
109.06503	9.0
109.10128	12.2
111.04425	2.5
111.08054	9.7
113.05953	2.9
115.05405	3.1
117.07008	15.7
119.08571	51.3
121.06470	7.7
121.10139	8.2
123.08041	6.7
123.11687	9.0
125.09608	5.1
128.06201	4.1
129.06993	30.3
131.08571	18.4
133.06474	3.7
133.10092	22.4
135.11649	2.4
137.09659	2.2
143.08536	11.2
145.10109	12.8
147.07957	4.4
147.11673	46.4
147.83202	2.1
149.09607	6.2
157.10121	13.9
157.45065	2.3
161.09613	4.9
161.13261	10.5
163.11176	4.6
165.12778	4.2
169.10054	3.1
171.11670	27.3
175.11134	12.7
185.13336	2.5
189.11221	4.4
189.12743	12.9
193.12192	41.0
194.12666	2.7
207.13803	28.7
211.13266	35.8
227.12692	3.6
249.14807	6.1
267.15869	19.6
281.17444	19.1
305.17233	2.8
381.24246	4.4
399.25269	3.3
455.27808	2.8
473.28961	44.5
474.28824	2.4
491.30045	51.2
492.30392	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	491.3002
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03944	1.7
55.01870	8.3
55.05507	20.9
57.03432	4.8
58.00615	1.2
59.04991	2.8
63.25514	1.4
65.03922	1.3
67.05495	38.6
68.90501	1.1
69.03421	5.7
69.07055	9.9
69.64259	1.1
70.04072	4.5
71.04983	11.1
71.42342	1.9
78.29799	1.1
79.05484	40.9
81.03410	10.3
81.07052	31.9
83.04985	9.1
83.08629	8.9
85.02885	1.6
85.06528	3.5
85.97952	1.2
91.05469	25.5
91.81344	1.1
93.07036	35.0
93.07605	2.7
95.04956	21.0
95.08597	17.6
97.02895	1.4
97.06526	5.3
97.10149	13.4
102.11451	1.3
103.05467	1.7
105.04537	2.2
105.07015	18.5
107.04943	32.1
107.08584	22.0
109.02873	1.7
109.06503	11.7
109.10127	11.7
111.04464	1.9
111.08052	2.6
115.05431	2.9
117.07008	12.0
119.08565	15.2
121.06496	26.3
121.07324	2.3
121.10114	14.1
121.57263	1.2
122.07280	1.5
123.04423	2.4
123.08060	6.8
123.11689	10.5
125.05975	1.4
125.09618	12.4
128.06201	1.9
129.07031	8.1
131.04922	4.3
131.08548	17.8
133.06496	4.4
133.10101	8.2
135.08031	7.8
135.11676	6.9
137.06012	2.0
137.09586	17.4
137.87556	1.3
139.11163	2.5
141.06999	4.5
142.07845	2.0
143.08530	5.2
145.06462	9.8
145.10095	10.0
147.04405	2.3
147.08046	4.8
147.11661	3.1
149.05821	1.4
149.09578	6.7
149.13295	1.5
151.07497	2.6
153.07019	1.6
153.09126	1.9
155.08546	3.2
157.06487	2.0
157.10144	3.3
159.08073	5.2
159.11685	4.0
161.05940	2.8
161.09656	4.1
163.11172	9.7
165.09097	100.0
166.09462	2.3
167.10669	4.3
169.10088	2.9
171.07988	2.4
171.11710	2.5
173.05972	1.4
173.09633	4.0
173.13243	4.8
175.07605	3.2
175.11125	3.5
181.10208	2.1
181.12228	1.4
183.11673	3.4
185.09608	2.7
185.13258	2.7
187.11218	1.8
189.09436	1.6
189.11218	6.0
190.32245	1.3
191.10710	2.9
191.14279	5.0
193.12297	3.6
195.11595	3.0
197.09575	2.2
197.13235	1.9
199.11269	2.3
199.13303	3.5
201.11122	2.1
201.12746	2.1
205.12080	2.7
205.15804	1.2
209.11632	2.7
211.11208	2.3
213.12680	2.6
214.36874	1.3
215.14316	2.2
219.13774	13.0
223.11221	1.6
223.13272	2.1
227.12531	5.9
229.15871	1.6
231.13957	1.9
233.15364	2.5
245.15607	1.3
247.16888	3.5
249.14893	3.1
255.14000	1.4
257.15274	1.7
265.14722	1.5
271.16971	1.4
273.14868	3.9
275.16397	5.3
287.16376	1.9
339.23117	3.1
349.21439	9.0
352.16425	3.4
357.24127	1.9
367.22684	16.3
385.23621	21.5
399.25488	2.7
403.24771	5.2
417.26245	4.2
422.03183	1.4
439.44589	1.5
441.26318	6.4
446.31564	1.9
452.43964	1.3
459.27374	39.5
473.28735	5.1
491.30493	58.6
492.30389	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	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.5
51.20087	2.3
53.03938	7.1
53.67175	2.2
55.01871	9.5
55.05506	35.5
57.03429	14.5
59.05004	2.8
65.00639	2.2
65.03938	6.3
67.05158	4.5
67.05502	71.8
69.03440	2.2
69.07054	10.8
69.68738	7.5
71.04992	5.9
71.44680	2.9
77.03930	3.8
79.05487	71.1
81.03411	54.5
81.03884	2.6
81.07051	67.2
82.07395	2.5
83.04969	14.5
83.08627	26.6
85.02934	2.7
85.06550	4.0
91.05473	100.0
93.07036	50.6
95.04962	37.3
95.08598	23.3
97.06524	9.7
97.10146	14.0
98.23408	2.8
99.08057	3.1
105.04501	4.1
105.07018	56.3
106.07345	2.3
107.04969	12.3
107.08579	21.2
109.06503	7.1
109.10130	10.5
111.08069	8.0
115.05473	3.7
117.07008	24.0
119.04924	3.6
119.08572	27.9
121.06504	7.9
121.10149	8.4
123.08055	6.4
123.11713	15.8
125.09618	7.5
128.06248	6.8
129.06999	28.2
131.08563	22.1
133.06436	4.3
133.10106	16.4
135.08041	5.8
135.11685	3.5
137.09544	3.3
141.06966	5.2
143.08531	14.0
145.06433	3.5
145.10126	9.8
147.08066	4.6
147.11691	27.9
149.09625	3.3
149.13229	3.3
155.08566	7.1
157.10103	9.1
159.11743	3.5
161.09604	2.6
161.13271	7.0
164.35849	2.0
167.08499	2.7
169.10179	2.6
171.11658	16.0
175.11200	5.1
181.10049	2.9
183.11752	3.0
185.13260	6.1
187.13326	4.8
189.11305	4.1
189.12801	9.5
193.12225	18.5
206.12508	2.1
207.13742	21.0
211.13255	4.0
223.13240	5.1
227.12823	5.7
231.13795	3.7
243.15913	8.5
247.16910	4.3
249.14835	11.7
255.83492	2.2
267.15863	33.9
277.18018	5.3
281.17422	28.6
287.16592	2.3
305.17471	6.2
363.23132	6.4
381.24207	5.8
399.25269	11.3
455.27737	5.1
473.28888	64.2
474.29242	5.5
491.29886	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	491.3001
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03940	9.5
53.91648	1.9
55.01871	5.1
55.05505	35.4
56.49759	1.9
57.03437	14.8
65.03938	6.6
67.05502	65.8
69.07054	14.6
69.20033	14.0
71.04980	7.2
73.06571	2.4
73.84370	2.2
77.03934	2.5
79.05490	87.4
81.03409	65.2
81.07050	67.0
83.04980	17.7
83.08614	26.6
85.02899	15.5
85.06534	4.1
91.05475	100.0
93.07039	72.7
95.04964	48.9
95.08599	30.7
97.02887	2.4
97.06509	6.5
97.10157	6.8
99.08068	2.8
105.04499	4.4
105.07029	62.0
107.04947	10.3
107.08587	27.7
109.06488	8.9
109.10139	7.1
111.04405	2.9
111.08069	9.3
115.05424	2.6
117.07004	17.5
119.08562	38.6
121.06458	3.3
121.10137	9.9
123.08062	7.0
123.11713	7.1
125.09644	6.1
128.06197	6.5
129.07011	29.9
131.08562	15.2
133.06456	4.0
133.10130	16.8
135.11638	2.4
140.91718	2.5
142.07809	3.2
143.08572	10.5
145.10133	12.4
147.08052	6.8
147.11664	39.5
149.09598	4.8
155.08519	2.8
157.10092	13.2
161.09604	5.2
161.13274	10.4
163.11153	3.4
167.08525	2.2
171.11671	26.6
175.11166	11.4
179.14307	3.2
185.13133	3.1
189.12692	8.4
193.12233	34.8
207.13789	24.7
211.13260	26.7
211.15062	2.8
225.14882	2.9
227.12758	4.9
247.17023	2.5
249.14848	7.8
267.15918	24.4
281.17459	18.9
305.17468	2.9
363.22925	3.5
371.72778	2.5
381.24075	3.2
399.24973	3.0
404.36407	2.3
459.95746	2.9
473.29010	35.8
491.29968	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87056	2.2
53.03946	2.3
55.05502	7.5
59.04995	5.7
60.92703	2.5
65.03944	2.4
65.68219	1.9
67.05501	20.0
69.03410	3.1
69.07061	28.5
69.49242	10.5
71.04990	3.0
75.42912	2.4
76.22073	1.9
79.05485	12.1
81.03397	2.6
81.07053	25.6
83.08601	5.0
85.02889	2.2
87.39650	2.1
91.05479	12.8
93.07039	21.4
95.04939	4.4
95.08606	30.8
97.06524	4.4
97.10144	2.4
99.08077	3.5
105.07012	18.3
107.08582	21.8
109.06532	4.7
109.10152	52.7
111.08102	5.4
111.11744	4.2
113.09636	3.1
117.07004	2.5
119.08601	13.6
121.06500	6.7
121.10130	12.6
123.08048	4.6
125.09627	3.5
127.11205	7.1
128.66519	2.0
129.06990	4.8
131.08553	10.0
133.06488	2.6
133.10139	12.3
135.08090	2.8
135.11691	20.0
137.05948	7.7
137.13223	4.5
143.08540	11.9
145.10101	18.6
147.08047	9.0
147.11667	4.5
149.09531	3.9
149.13271	5.4
153.12729	8.6
155.08582	4.3
157.10101	6.3
159.08066	6.4
159.11707	7.4
161.09637	3.4
161.13266	10.7
163.07585	5.1
163.14787	3.2
165.09100	3.4
167.07117	2.2
167.08565	2.4
169.10114	5.5
171.08058	6.3
171.11612	5.6
171.13812	3.7
173.09669	13.4
173.13185	4.5
175.07516	3.0
175.11084	2.7
175.14795	3.8
177.16405	2.3
179.14302	5.5
183.11749	5.2
185.09680	2.5
185.13231	3.7
187.11139	4.0
187.14856	2.6
188.52225	2.9
189.09140	5.2
191.10693	6.7
195.11716	4.8
197.09641	5.1
197.13168	7.3
199.11223	4.6
199.14856	4.9
201.12837	2.8
207.11984	2.6
209.13177	5.7
211.11288	3.1
211.14760	2.8
213.12666	5.1
215.14302	7.2
219.11696	3.2
221.13326	2.8
223.11096	3.6
225.12727	7.2
227.14362	2.6
231.13809	5.5
233.15388	6.4
237.12683	3.5
239.14403	3.5
255.17097	3.0
265.15775	5.4
283.16934	20.2
301.17950	91.2
302.18469	6.5
303.19333	4.6
311.19998	4.7
313.21524	2.4
326.18820	2.3
327.19647	3.3
328.20419	2.9
329.21140	4.0
337.21414	3.2
341.21133	3.1
349.16989	2.5
355.22818	13.0
356.22855	2.6
373.23688	7.1
375.26471	3.5
393.27856	6.6
411.28891	100.0
413.30093	3.9
419.29492	3.9
429.29965	35.3
437.30688	15.3
455.31552	28.3
473.32367	6.3
485.71667	2.2
491.34155	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	491.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.05512	12.2
57.07056	3.0
59.04993	5.0
59.08356	2.6
62.81532	2.5
65.03958	2.7
66.11517	2.8
67.05497	22.0
69.03435	2.6
69.07066	32.1
69.35017	12.9
71.04976	5.1
79.05485	9.0
81.07044	26.1
83.08624	7.2
89.71383	2.2
91.05473	14.0
93.07034	32.1
95.04946	2.5
95.08602	30.7
97.02879	3.3
97.10111	2.4
98.22760	6.2
98.23397	5.6
99.04428	2.5
99.08071	2.8
105.07014	18.4
107.04871	3.4
107.08589	25.4
109.06493	6.2
109.10149	63.1
110.10493	3.6
111.08068	4.8
111.11700	3.9
111.70412	2.3
114.59602	2.9
117.07001	7.0
119.04967	3.4
119.08561	15.4
121.06498	6.9
121.10148	11.3
123.08036	6.0
123.11701	4.7
127.11192	4.3
129.07007	3.9
131.04912	2.8
131.08586	8.7
131.23700	2.7
133.06473	4.6
133.10129	10.5
135.08087	4.9
135.11671	21.3
137.05981	11.5
137.13268	6.6
143.08543	8.2
145.06502	4.4
145.10104	17.3
147.08014	6.6
147.11667	7.1
149.13206	3.5
151.07556	3.0
153.12717	9.0
155.08519	6.5
157.10152	11.4
159.08076	4.1
159.11703	8.1
161.09601	6.1
161.13217	6.5
165.07060	3.2
169.10164	7.3
171.08037	6.6
171.11661	5.4
171.13812	4.8
173.09589	16.9
173.13240	7.2
175.07596	2.6
175.11227	3.0
179.14301	4.3
181.10196	3.1
185.09639	4.3
185.13239	6.2
187.11172	5.8
189.09091	5.4
191.10674	5.5
192.67592	2.9
193.10219	2.8
195.11691	7.3
197.09622	4.1
197.13194	6.6
199.11092	3.9
199.14801	5.7
211.11205	3.6
211.14804	3.8
213.12697	5.8
213.75407	3.0
215.14320	9.9
217.60335	3.0
221.13202	3.8
223.11069	3.2
223.14877	3.9
225.12624	6.3
227.14267	4.1
231.13597	3.6
233.15324	6.8
237.16251	4.7
239.14188	4.9
245.15361	3.5
255.17397	3.9
259.16818	3.1
265.15823	6.3
271.24173	3.2
283.16953	17.6
285.18353	3.4
287.16370	3.5
301.17944	86.1
302.18585	9.0
303.19354	4.8
328.20386	3.1
329.21091	5.3
337.21570	3.3
355.22491	12.8
373.23645	5.9
375.26871	3.3
393.27536	8.7
411.28931	100.0
412.29233	4.8
413.29654	5.0
429.29984	34.1
437.30542	14.5
455.31464	25.3
473.32422	7.8
491.34177	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	491.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87056	2.2
53.03946	2.3
55.05502	7.5
59.04995	5.7
60.92703	2.5
65.03944	2.4
65.68219	1.9
67.05501	20.0
69.03410	3.1
69.07061	28.5
69.49242	10.5
71.04990	3.0
75.42912	2.4
76.22073	1.9
79.05485	12.1
81.03397	2.6
81.07053	25.6
83.08601	5.0
85.02889	2.2
87.39650	2.1
91.05479	12.8
93.07039	21.4
95.04939	4.4
95.08606	30.8
97.06524	4.4
97.10144	2.4
99.08077	3.5
105.07012	18.3
107.08582	21.8
109.06532	4.7
109.10152	52.7
111.08102	5.4
111.11744	4.2
113.09636	3.1
117.07004	2.5
119.08601	13.6
121.06500	6.7
121.10130	12.6
123.08048	4.6
125.09627	3.5
127.11205	7.1
128.66519	2.0
129.06990	4.8
131.08553	10.0
133.06488	2.6
133.10139	12.3
135.08090	2.8
135.11691	20.0
137.05948	7.7
137.13223	4.5
143.08540	11.9
145.10101	18.6
147.08047	9.0
147.11667	4.5
149.09531	3.9
149.13271	5.4
153.12729	8.6
155.08582	4.3
157.10101	6.3
159.08066	6.4
159.11707	7.4
161.09637	3.4
161.13266	10.7
163.07585	5.1
163.14787	3.2
165.09100	3.4
167.07117	2.2
167.08565	2.4
169.10114	5.5
171.08058	6.3
171.11612	5.6
171.13812	3.7
173.09669	13.4
173.13185	4.5
175.07516	3.0
175.11084	2.7
175.14795	3.8
177.16405	2.3
179.14302	5.5
183.11749	5.2
185.09680	2.5
185.13231	3.7
187.11139	4.0
187.14856	2.6
188.52225	2.9
189.09140	5.2
191.10693	6.7
195.11716	4.8
197.09641	5.1
197.13168	7.3
199.11223	4.6
199.14856	4.9
201.12837	2.8
207.11984	2.6
209.13177	5.7
211.11288	3.1
211.14760	2.8
213.12666	5.1
215.14302	7.2
219.11696	3.2
221.13326	2.8
223.11096	3.6
225.12727	7.2
227.14362	2.6
231.13809	5.5
233.15388	6.4
237.12683	3.5
239.14403	3.5
255.17097	3.0
265.15775	5.4
283.16934	20.2
301.17950	91.2
302.18469	6.5
303.19333	4.6
311.19998	4.7
313.21524	2.4
326.18820	2.3
327.19647	3.3
328.20419	2.9
329.21140	4.0
337.21414	3.2
341.21133	3.1
349.16989	2.5
355.22818	13.0
356.22855	2.6
373.23688	7.1
375.26471	3.5
393.27856	6.6
411.28891	100.0
413.30093	3.9
419.29492	3.9
429.29965	35.3
437.30688	15.3
455.31552	28.3
473.32367	6.3
485.71667	2.2
491.34155	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	492.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35698	3.3
57.47475	4.1
62.76927	3.3
65.25430	3.2
65.85778	3.5
69.03410	5.7
71.43606	4.2
73.02927	3.9
81.03409	4.5
85.02897	12.3
111.04461	4.4
115.05447	6.5
117.69080	3.8
135.04395	11.1
135.07961	3.9
139.03885	5.4
143.04924	13.8
145.04951	3.5
147.04399	16.1
148.28308	3.4
153.01889	4.2
157.69675	3.5
159.04437	4.0
161.05959	30.2
163.03885	76.5
175.03946	9.2
177.05484	5.4
181.04851	4.8
185.05911	5.3
187.03775	4.6
189.05447	34.7
193.04967	34.0
193.20111	3.6
201.05522	5.1
203.07089	4.3
205.04860	6.4
213.05409	10.9
217.04962	10.2
231.06500	16.4
235.06021	36.3
259.06021	25.4
277.07169	19.0
277.09998	3.8
295.04993	6.3
295.08105	100.0
295.11478	5.7
296.08444	3.9
492.19626	5.4
493.00043	4.8
493.14899	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	492.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.81260	0.7
55.01862	2.4
57.03424	2.3
61.02908	2.0
67.05487	0.9
68.99774	0.9
69.03423	10.3
69.34283	3.0
71.04977	1.4
73.02899	2.1
79.05474	1.4
81.03411	9.0
81.07039	0.8
85.02893	24.0
85.03410	1.3
87.00813	10.5
91.05470	3.5
93.07025	3.5
94.04195	0.8
95.04930	3.4
95.08591	2.1
97.02884	10.0
98.22653	1.2
99.04441	4.1
105.01842	5.7
105.06989	1.2
107.04925	1.4
107.08580	1.7
109.02876	8.2
109.06493	0.8
109.10140	1.5
111.04424	1.2
115.05484	0.8
117.01830	1.1
117.07042	0.9
119.04913	1.4
119.08547	1.4
121.06455	2.5
121.10122	4.4
123.08109	1.4
124.03951	4.3
127.03001	1.2
127.03902	12.4
129.01854	1.0
135.08031	0.8
136.05141	1.4
137.05945	5.4
138.05489	1.7
138.06686	0.7
145.04942	4.7
145.06401	0.7
146.07254	0.8
147.04434	1.8
147.08029	2.0
148.05157	3.3
149.05856	1.1
149.09589	2.9
150.06601	0.8
151.07526	5.6
153.05446	1.5
159.02910	3.8
159.08072	0.9
161.05901	1.2
162.06728	2.3
163.07529	6.0
164.08287	0.8
165.05461	2.5
166.06250	8.2
167.07001	0.8
167.10674	1.2
168.07787	4.8
175.07466	1.4
176.08293	0.9
177.09120	5.2
178.09877	22.5
179.07014	3.4
179.10564	2.3
180.07898	1.1
181.08572	67.5
182.08972	2.0
188.08366	0.8
189.09018	1.0
189.12752	1.0
194.09361	11.7
195.10104	6.3
208.10939	1.3
209.11703	32.8
209.15086	1.4
210.12090	1.4
212.10312	0.8
215.10588	0.9
219.10071	1.6
221.11682	0.9
227.12747	100.0
228.13078	2.8
231.05040	1.5
233.11685	0.8
237.11185	1.0
239.12918	1.2
251.12723	2.0
264.13474	0.8
268.08072	1.9
269.13812	1.5
275.12961	0.7
286.09067	1.2
293.13785	2.4
299.12704	2.4
317.13745	4.6
335.14890	9.3
368.15576	0.8
403.61673	0.7
430.51904	0.7
492.21277	0.9
492.30325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.81260	0.7
55.01862	2.4
57.03424	2.3
61.02908	2.0
67.05487	0.9
68.99774	0.9
69.03423	10.3
69.34283	3.0
71.04977	1.4
73.02899	2.1
79.05474	1.4
81.03411	9.0
81.07039	0.8
85.02893	24.0
85.03410	1.3
87.00813	10.5
91.05470	3.5
93.07025	3.5
94.04195	0.8
95.04930	3.4
95.08591	2.1
97.02884	10.0
98.22653	1.2
99.04441	4.1
105.01842	5.7
105.06989	1.2
107.04925	1.4
107.08580	1.7
109.02876	8.2
109.06493	0.8
109.10140	1.5
111.04424	1.2
115.05484	0.8
117.01830	1.1
117.07042	0.9
119.04913	1.4
119.08547	1.4
121.06455	2.5
121.10122	4.4
123.08109	1.4
124.03951	4.3
127.03001	1.2
127.03902	12.4
129.01854	1.0
135.08031	0.8
136.05141	1.4
137.05945	5.4
138.05489	1.7
138.06686	0.7
145.04942	4.7
145.06401	0.7
146.07254	0.8
147.04434	1.8
147.08029	2.0
148.05157	3.3
149.05856	1.1
149.09589	2.9
150.06601	0.8
151.07526	5.6
153.05446	1.5
159.02910	3.8
159.08072	0.9
161.05901	1.2
162.06728	2.3
163.07529	6.0
164.08287	0.8
165.05461	2.5
166.06250	8.2
167.07001	0.8
167.10674	1.2
168.07787	4.8
175.07466	1.4
176.08293	0.9
177.09120	5.2
178.09877	22.5
179.07014	3.4
179.10564	2.3
180.07898	1.1
181.08572	67.5
182.08972	2.0
188.08366	0.8
189.09018	1.0
189.12752	1.0
194.09361	11.7
195.10104	6.3
208.10939	1.3
209.11703	32.8
209.15086	1.4
210.12090	1.4
212.10312	0.8
215.10588	0.9
219.10071	1.6
221.11682	0.9
227.12747	100.0
228.13078	2.8
231.05040	1.5
233.11685	0.8
237.11185	1.0
239.12918	1.2
251.12723	2.0
264.13474	0.8
268.08072	1.9
269.13812	1.5
275.12961	0.7
286.09067	1.2
293.13785	2.4
299.12704	2.4
317.13745	4.6
335.14890	9.3
368.15576	0.8
403.61673	0.7
430.51904	0.7
492.21277	0.9
492.30325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
58.99589	1.2
67.05515	1.2
69.03424	87.7
69.07060	1.5
70.02328	0.8
70.02637	1.4
70.03761	0.7
70.06563	1.0
71.04990	9.6
75.44489	0.5
76.02225	5.0
79.05482	1.5
83.04979	2.0
83.08612	0.7
85.02902	3.4
85.06521	1.0
87.04424	0.6
91.05499	1.9
93.07044	1.8
95.08607	1.7
97.02877	1.4
103.05480	1.1
105.07003	1.4
107.04917	0.7
107.08575	2.5
109.02861	1.1
109.06524	0.7
109.10171	0.8
115.05431	0.7
119.08550	1.0
121.10137	6.8
122.02729	4.7
123.11716	1.2
125.09636	2.0
127.03910	1.6
131.04918	2.3
131.08592	1.3
133.10091	0.9
135.04459	1.6
135.08043	100.0
136.08377	1.9
139.03912	2.7
147.04399	1.4
149.06067	0.7
149.09613	2.4
149.13255	1.4
152.50591	0.6
153.01836	2.8
157.06496	0.7
163.03906	2.6
163.07555	1.5
173.13254	4.4
177.05446	1.0
181.04921	2.5
185.05817	0.9
190.05341	1.5
191.14296	89.1
192.14633	2.8
203.07104	1.1
205.04805	1.8
209.15356	9.8
213.05458	1.7
223.11522	1.5
231.06398	3.0
235.05960	0.9
241.12779	0.7
259.05975	3.6
277.07028	2.1
295.07916	1.6
312.16183	1.9
330.17102	0.9
382.05350	0.7
492.18668	1.5
492.24884	2.0
493.17026	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
57.03434	1.8
69.03419	85.2
69.07072	3.7
71.04993	8.7
71.42668	2.0
79.05491	3.9
81.03410	5.9
81.07041	7.7
82.03685	1.5
83.04961	2.1
85.02895	16.4
87.00832	3.9
87.04465	5.3
91.05486	2.0
93.07027	10.9
95.08615	2.1
97.02880	6.6
97.06483	2.6
105.01883	4.2
105.07035	6.1
107.04926	2.1
107.08591	7.2
109.02866	4.4
119.08582	3.5
121.10128	22.7
123.11691	30.4
127.03908	9.5
129.06969	1.9
133.10086	5.6
135.08034	100.0
136.08391	2.9
137.05939	3.1
145.04932	5.4
147.04498	1.5
147.11661	4.6
149.09605	13.5
150.09123	8.9
151.07553	4.7
151.11145	14.4
153.01836	2.7
161.06081	1.8
163.03970	1.5
165.12770	5.0
167.06975	2.2
167.10651	35.5
167.11990	3.1
173.13248	4.3
178.04993	7.8
189.12674	1.6
191.14288	84.7
192.08549	1.7
209.15302	4.6
227.16399	59.7
227.18628	3.3
267.10223	1.7
311.37402	1.5
344.39813	1.7
492.16785	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01867	4.7
55.05511	10.9
57.03418	4.3
57.07070	3.7
57.39895	2.0
61.02911	3.5
67.05479	4.7
69.03424	33.3
69.07059	4.4
71.04984	4.8
73.02911	8.3
73.40858	2.0
74.03217	2.4
74.72596	2.2
78.90337	2.3
79.05480	11.0
81.03411	20.8
81.07062	6.8
81.76770	1.9
83.04987	15.7
83.08601	3.8
85.02897	61.7
85.06525	3.3
86.15765	1.8
87.00823	34.6
91.05481	8.2
91.99232	2.1
93.07040	11.9
94.06609	2.5
95.04971	4.7
95.08593	7.4
97.02880	26.0
97.06525	5.6
97.10165	2.5
99.04430	13.0
103.05470	9.5
104.05789	4.2
105.01859	39.0
105.07021	7.9
107.04934	3.5
107.08585	59.6
108.08145	2.4
108.08885	2.2
109.02869	24.2
109.06522	5.5
109.10150	7.2
111.04404	2.0
111.08048	10.8
116.73655	2.3
119.04922	3.0
119.08547	5.8
121.06493	3.7
121.10133	17.5
122.77103	1.9
123.08051	5.8
127.03899	43.7
131.04939	12.8
131.08571	3.1
132.05284	6.3
133.06407	2.4
133.10115	34.9
135.08051	4.9
135.11694	5.0
137.05966	26.0
137.09590	12.8
138.06329	11.7
138.47720	2.1
142.08742	1.8
145.04912	17.7
145.44412	2.1
146.05360	1.9
147.11667	5.5
149.05962	2.1
149.09607	4.0
149.13252	9.6
150.06302	2.2
151.07481	2.6
151.11160	9.1
153.01814	4.2
153.09108	10.0
154.08612	4.5
159.02924	5.0
161.05939	4.7
162.06407	4.2
163.07529	13.8
163.14806	5.9
164.07918	7.3
173.13289	6.4
175.07521	3.3
176.07851	2.7
191.12543	5.1
191.14290	100.0
192.08958	2.5
192.14659	3.5
195.07605	3.5
200.84645	1.9
208.08676	2.1
209.15350	20.9
213.03923	5.0
219.08125	3.0
220.08412	2.6
227.86067	2.0
231.04971	11.0
248.07944	3.6
249.06018	5.7
265.08484	3.6
266.08936	6.7
268.10672	2.2
279.10101	4.4
280.10455	8.1
297.10941	3.5
298.11530	6.5
300.13144	4.2
311.12650	4.4
312.13031	10.3
314.14676	2.8
342.14096	7.6
424.52802	2.5
438.28293	2.9
492.32166	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33398	3.4
55.05502	6.4
57.03434	6.2
62.06071	3.4
67.05499	5.2
69.03429	14.5
69.32564	10.8
71.05002	5.3
71.65932	2.6
73.75974	2.4
75.04466	6.0
76.77265	2.6
79.05476	21.7
81.03423	14.5
81.07050	11.9
82.84097	2.4
85.02898	17.4
87.04469	9.6
91.05470	24.3
93.07035	95.4
94.04150	2.8
95.04967	7.1
95.08603	8.8
97.02876	12.7
99.04429	5.9
103.05525	2.8
104.07103	9.0
105.07028	21.3
106.07309	4.1
107.04984	4.1
107.08601	23.2
109.02852	9.3
109.06506	10.5
109.10129	5.7
111.08088	6.1
117.06973	2.8
119.04890	3.8
119.08549	17.0
121.06492	7.0
121.10131	100.0
121.10983	5.9
123.08036	4.2
123.11696	10.8
123.71485	3.1
127.03918	14.8
129.07068	2.7
131.04967	3.1
131.08546	10.3
131.28627	3.0
133.10098	3.9
137.05974	45.6
138.05487	40.9
138.06354	14.0
139.11150	7.4
145.04982	4.5
147.11690	13.1
149.09607	25.5
151.07500	17.7
152.07883	5.4
153.01845	8.8
153.09094	19.0
161.05965	9.2
161.09729	3.0
163.07526	6.5
165.09161	7.1
167.07016	4.1
167.10649	29.4
175.07501	6.5
189.09184	4.2
191.14294	4.4
209.15279	18.4
250.09335	3.4
269.08270	2.8
271.09616	3.7
277.08350	6.6
278.08917	5.4
293.13834	8.2
296.10104	3.6
297.11029	4.8
309.11093	5.5
310.11475	5.3
311.15002	18.6
319.12036	3.2
323.12695	4.1
324.13187	3.9
354.14157	6.0
368.15906	4.3
492.20190	8.4
492.25516	13.2
492.31143	8.5
493.16800	5.4
493.26224	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0974
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
51.02374	0.8
52.97501	0.4
53.03943	1.2
69.03429	2.1
69.07066	1.4
76.63657	0.4
79.01848	3.9
79.05502	0.6
81.03407	7.0
85.02905	2.6
89.03896	0.5
91.05484	0.6
93.07049	0.5
95.05000	0.5
95.08617	0.5
97.02875	4.9
97.06504	0.6
99.04462	0.6
102.96873	0.4
105.03398	0.8
107.01326	1.5
109.02856	3.7
115.96194	0.3
117.03336	0.4
119.08589	0.4
121.10159	0.8
123.04420	10.4
125.02322	3.6
127.03893	4.5
133.02843	10.1
133.10162	0.4
135.04396	1.5
137.05930	1.0
143.03380	4.9
145.05006	0.5
151.03906	3.6
151.07623	0.5
153.01811	100.0
153.02866	4.7
154.02144	1.7
171.02864	8.4
179.03372	77.3
180.03696	1.1
191.06984	0.7
220.99989	0.4
297.03003	0.7
297.06012	8.6
313.03735	0.4
315.07095	2.5
493.18570	0.5
501.64868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91808	0.9
53.03934	1.8
55.01867	4.2
55.05507	14.9
57.03427	4.2
57.07071	1.2
64.88982	0.7
65.03926	2.1
67.05498	18.4
67.05862	1.0
67.56930	0.8
69.03416	2.6
69.07040	4.9
69.23330	4.6
71.01366	0.9
71.04996	2.6
73.02934	1.0
78.15684	0.7
79.05481	17.1
81.03407	23.7
81.07045	18.9
83.04971	7.3
83.08618	9.4
85.02898	4.5
85.06534	1.7
91.05470	21.9
91.22100	0.8
93.07034	15.9
95.04959	14.9
95.05531	1.2
95.08585	8.1
97.02885	3.0
97.06531	3.1
97.10135	4.5
99.04465	1.3
99.08057	1.9
105.07025	12.2
107.04929	8.0
107.08575	10.2
109.02879	1.2
109.06516	4.3
109.10146	5.3
111.04481	5.2
111.08064	4.3
115.05462	1.0
117.07001	5.1
119.08579	8.8
121.02843	2.4
121.06497	3.6
121.10135	7.1
123.04435	2.6
123.08074	2.1
123.11694	1.5
125.09638	4.0
127.03884	1.3
127.11186	1.0
128.06195	1.2
129.07010	4.5
131.05011	1.2
131.08549	6.6
133.06471	1.1
133.10130	5.5
135.04422	1.2
135.08061	3.2
135.11676	4.4
137.05989	1.7
137.09636	2.6
137.13281	2.0
139.11177	1.3
141.07043	1.1
143.08574	2.9
145.06439	1.2
145.10101	7.0
147.04326	0.8
147.08067	2.5
147.11671	6.1
149.09619	3.8
151.11166	1.9
153.01831	1.3
153.09102	1.1
153.12758	1.4
155.08621	1.2
157.10188	4.4
159.11725	1.8
161.09613	1.9
161.13277	1.2
163.11197	6.1
165.09093	0.9
165.12769	2.1
167.03192	1.5
169.10161	1.0
171.00548	3.1
171.08046	1.2
173.09647	1.8
173.11899	1.1
173.13304	1.4
175.11215	4.4
181.12241	2.8
183.11635	1.3
187.11102	1.0
189.11217	3.3
191.10690	3.1
191.14284	0.9
193.12227	12.0
207.13814	1.1
209.11667	9.0
209.13237	0.9
211.13266	9.1
213.12608	1.1
215.14201	1.1
219.13954	1.1
227.12788	4.4
229.12375	1.0
229.14392	0.9
231.13803	1.1
245.07825	100.0
246.08246	3.2
247.13353	3.3
249.14790	2.2
259.13297	1.1
267.15750	4.6
271.04224	24.0
278.60220	1.1
283.15442	2.3
302.18839	1.1
343.12460	1.2
355.22711	2.0
373.23599	1.7
383.22113	3.9
387.94971	1.0
401.23224	4.1
419.24103	1.8
449.14334	7.5
450.14661	1.3
457.25891	1.3
457.33102	2.7
475.26752	7.3
475.33197	1.2
492.35794	1.6
493.13129	23.8
493.23276	7.1
493.27930	15.6
493.35669	0.9
494.13480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91808	0.9
53.03934	1.8
55.01867	4.2
55.05507	14.9
57.03427	4.2
57.07071	1.2
64.88982	0.7
65.03926	2.1
67.05498	18.4
67.05862	1.0
67.56930	0.8
69.03416	2.6
69.07040	4.9
69.23330	4.6
71.01366	0.9
71.04996	2.6
73.02934	1.0
78.15684	0.7
79.05481	17.1
81.03407	23.7
81.07045	18.9
83.04971	7.3
83.08618	9.4
85.02898	4.5
85.06534	1.7
91.05470	21.9
91.22100	0.8
93.07034	15.9
95.04959	14.9
95.05531	1.2
95.08585	8.1
97.02885	3.0
97.06531	3.1
97.10135	4.5
99.04465	1.3
99.08057	1.9
105.07025	12.2
107.04929	8.0
107.08575	10.2
109.02879	1.2
109.06516	4.3
109.10146	5.3
111.04481	5.2
111.08064	4.3
115.05462	1.0
117.07001	5.1
119.08579	8.8
121.02843	2.4
121.06497	3.6
121.10135	7.1
123.04435	2.6
123.08074	2.1
123.11694	1.5
125.09638	4.0
127.03884	1.3
127.11186	1.0
128.06195	1.2
129.07010	4.5
131.05011	1.2
131.08549	6.6
133.06471	1.1
133.10130	5.5
135.04422	1.2
135.08061	3.2
135.11676	4.4
137.05989	1.7
137.09636	2.6
137.13281	2.0
139.11177	1.3
141.07043	1.1
143.08574	2.9
145.06439	1.2
145.10101	7.0
147.04326	0.8
147.08067	2.5
147.11671	6.1
149.09619	3.8
151.11166	1.9
153.01831	1.3
153.09102	1.1
153.12758	1.4
155.08621	1.2
157.10188	4.4
159.11725	1.8
161.09613	1.9
161.13277	1.2
163.11197	6.1
165.09093	0.9
165.12769	2.1
167.03192	1.5
169.10161	1.0
171.00548	3.1
171.08046	1.2
173.09647	1.8
173.11899	1.1
173.13304	1.4
175.11215	4.4
181.12241	2.8
183.11635	1.3
187.11102	1.0
189.11217	3.3
191.10690	3.1
191.14284	0.9
193.12227	12.0
207.13814	1.1
209.11667	9.0
209.13237	0.9
211.13266	9.1
213.12608	1.1
215.14201	1.1
219.13954	1.1
227.12788	4.4
229.12375	1.0
229.14392	0.9
231.13803	1.1
245.07825	100.0
246.08246	3.2
247.13353	3.3
249.14790	2.2
259.13297	1.1
267.15750	4.6
271.04224	24.0
278.60220	1.1
283.15442	2.3
302.18839	1.1
343.12460	1.2
355.22711	2.0
373.23599	1.7
383.22113	3.9
387.94971	1.0
401.23224	4.1
419.24103	1.8
449.14334	7.5
450.14661	1.3
457.25891	1.3
457.33102	2.7
475.26752	7.3
475.33197	1.2
492.35794	1.6
493.13129	23.8
493.23276	7.1
493.27930	15.6
493.35669	0.9
494.13480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52231	6.8
53.03954	6.8
55.01867	9.0
59.16003	6.3
69.03429	47.0
69.03780	8.4
70.06590	13.6
71.04999	6.9
81.03403	17.0
85.02894	54.8
97.02872	20.1
99.72240	6.8
103.05496	10.0
107.04919	8.3
107.08582	7.3
109.02883	13.3
109.10150	18.3
111.08087	13.8
121.02844	18.7
122.02695	24.9
123.04437	7.6
127.03945	11.8
131.04922	11.9
135.04404	8.9
137.05984	14.8
139.03874	7.7
143.05161	7.7
145.04985	6.9
147.04382	17.8
151.03870	12.5
153.01828	56.3
159.04459	8.5
161.05975	10.5
163.03928	29.1
169.07581	12.8
171.04327	8.3
173.06032	7.8
175.03876	24.9
177.05476	16.4
178.57910	7.7
179.03363	17.6
179.06934	7.2
181.04962	29.5
187.03906	23.4
187.08731	11.2
189.05455	21.2
193.04916	46.8
193.15912	19.3
194.06781	6.4
201.05444	16.6
203.03447	8.0
203.06934	13.6
205.04893	54.7
211.05954	8.2
211.16937	26.9
213.05490	14.9
217.04958	43.5
219.02890	10.2
219.06546	19.2
221.04457	16.9
223.05952	53.3
225.05510	10.3
229.04858	21.3
231.06538	20.8
235.05916	54.3
239.06979	6.8
241.04913	11.2
243.06549	13.0
243.14163	6.6
245.08080	9.8
247.05991	90.5
249.07681	8.1
253.04805	8.6
255.06538	17.7
257.08252	10.0
259.05978	97.6
260.06427	14.0
271.05972	46.0
273.07553	17.2
277.06967	54.3
278.07422	7.0
283.06049	23.4
285.07504	17.5
289.07056	100.0
297.07587	16.1
299.05606	9.8
301.07019	73.2
307.08093	21.8
313.03381	17.9
313.06573	54.4
319.08105	22.8
325.09097	55.4
332.19031	10.2
337.09094	19.4
343.08093	40.1
355.08105	18.1
361.09128	25.1
367.07895	8.4
373.09073	34.4
378.14722	10.8
379.10129	21.5
385.08749	8.3
391.10422	49.1
396.15472	10.4
403.10229	24.0
421.11279	14.4
439.12259	17.1
481.68109	7.0
493.14749	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	493.2062
Annotation	Schizandriside
Peak:m/z	Relative Intensity
53.03924	1.3
67.05479	1.1
69.25545	5.9
69.60951	0.8
79.05478	2.5
82.24713	0.8
86.33691	0.8
91.05482	3.6
93.07031	1.2
94.04169	1.5
95.04966	3.4
98.22815	2.6
103.05457	45.6
107.04944	17.6
109.06461	1.0
115.05442	3.9
117.07013	3.0
119.04922	1.9
121.06504	2.4
122.03658	4.0
123.08034	1.4
128.06212	1.4
131.04909	56.6
132.05388	1.5
133.06461	1.6
135.08090	4.2
137.05960	40.0
143.08568	1.5
145.06487	1.7
149.05972	2.4
151.07518	14.6
153.01881	1.1
161.05992	3.2
161.09628	1.3
162.06779	2.5
163.07523	100.0
164.08188	4.9
175.07545	7.9
177.09088	40.7
181.08655	5.9
189.09142	2.5
195.10129	4.2
203.10625	6.3
207.10158	3.5
221.11729	7.2
287.12781	1.4
299.12668	2.2
313.14261	1.4
331.15396	2.1
332.96780	1.0
339.59378	1.0
425.73322	1.0
492.29794	1.7
493.29919	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	493.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18442	2.1
59.04979	3.1
62.68353	1.9
67.05494	5.3
69.03407	4.9
69.77483	8.2
72.66621	2.5
73.02924	3.0
79.05486	7.0
81.03413	2.5
81.07044	8.7
85.02906	6.1
91.05464	11.9
93.07026	5.9
94.04160	3.8
95.04961	3.9
95.08613	5.1
97.02888	3.3
98.22601	2.4
99.04424	3.6
103.05462	10.2
105.07005	5.1
107.08535	4.4
109.10125	4.0
117.07024	5.5
119.04961	3.6
119.08567	3.8
121.06506	3.9
121.10109	4.3
122.03635	4.5
123.08047	6.6
128.06256	2.7
131.04887	19.1
131.08606	3.3
133.10117	8.0
134.10425	4.9
135.08073	3.0
135.11667	3.1
137.05963	49.3
143.08577	2.8
145.06480	2.4
145.10063	4.6
149.05983	3.1
151.07539	13.1
161.05980	4.7
162.06639	2.8
163.07518	36.3
167.07053	3.0
173.09642	2.4
175.07524	5.7
177.09097	100.0
178.09584	2.5
189.09155	2.4
195.10130	4.8
221.09769	2.3
221.11731	12.5
249.08650	2.9
254.08839	3.3
266.09338	3.1
269.08041	3.1
281.11472	2.7
282.08456	3.1
285.11282	3.2
297.11063	3.8
299.12469	6.1
311.12451	6.1
312.13022	2.6
313.09204	3.1
313.14050	2.7
315.12357	4.5
327.12186	7.8
328.12604	12.9
331.14847	6.3
342.14554	8.9
343.14920	32.2
475.26492	3.7
493.12753	11.8
493.35175	4.2
505.94693	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	493.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
67.05479	1.1
69.25545	5.9
69.60951	0.8
79.05478	2.5
82.24713	0.8
86.33691	0.8
91.05482	3.6
93.07031	1.2
94.04169	1.5
95.04966	3.4
98.22815	2.6
103.05457	45.6
107.04944	17.6
109.06461	1.0
115.05442	3.9
117.07013	3.0
119.04922	1.9
121.06504	2.4
122.03658	4.0
123.08034	1.4
128.06212	1.4
131.04909	56.6
132.05388	1.5
133.06461	1.6
135.08090	4.2
137.05960	40.0
143.08568	1.5
145.06487	1.7
149.05972	2.4
151.07518	14.6
153.01881	1.1
161.05992	3.2
161.09628	1.3
162.06779	2.5
163.07523	100.0
164.08188	4.9
175.07545	7.9
177.09088	40.7
181.08655	5.9
189.09142	2.5
195.10129	4.2
203.10625	6.3
207.10158	3.5
221.11729	7.2
287.12781	1.4
299.12668	2.2
313.14261	1.4
331.15396	2.1
332.96780	1.0
339.59378	1.0
425.73322	1.0
492.29794	1.7
493.29919	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	493.2643
Annotation	Lurasidone
Peak:m/z	Relative Intensity
52.26869	1.4
53.03938	1.5
55.01863	1.5
55.05498	4.5
57.03415	1.8
57.07063	3.6
59.18526	1.4
65.96791	1.2
67.05500	14.1
69.03413	3.4
69.07052	4.3
70.55398	1.6
71.04977	1.2
71.69734	1.2
75.55292	1.3
79.05482	7.5
81.03410	9.6
81.06611	2.2
81.07048	19.4
83.04958	5.1
83.08594	4.0
85.02894	3.5
85.06536	7.9
91.05476	8.6
92.57175	1.2
93.07027	8.3
95.04956	3.9
95.08085	1.1
95.08573	6.9
97.02869	1.9
97.06526	3.1
98.23392	1.5
99.04461	1.4
103.07562	6.9
105.06998	10.3
107.04960	2.1
107.08575	8.0
109.02856	4.4
109.06508	2.1
109.10131	4.2
111.04394	1.6
115.05538	1.1
117.06985	2.2
119.08563	7.9
121.06533	1.6
121.08609	6.1
121.10130	8.1
121.68230	1.3
123.08021	2.9
123.11679	6.9
125.09659	1.9
127.03877	4.6
129.07001	2.7
129.53227	1.3
131.08559	2.4
133.06523	1.2
133.10103	2.2
137.05931	2.1
143.08554	1.5
145.10069	2.7
147.08034	1.3
147.11684	16.8
151.07512	4.7
157.10059	2.7
161.13174	1.5
163.11119	1.3
165.09084	1.8
165.12753	9.2
173.53986	1.2
177.09074	1.6
183.13684	2.6
189.12666	1.2
193.12263	5.1
195.10173	1.3
209.11708	2.1
211.13235	2.8
229.14333	11.9
230.14507	1.4
251.17976	1.3
257.36575	1.4
282.50626	1.3
303.10367	2.7
319.15198	1.5
337.16293	6.6
355.17419	4.9
371.07162	1.3
475.26553	2.8
493.18280	4.4
493.23941	100.0
494.23798	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	493.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01868	17.3
55.05507	42.5
55.11450	1.2
56.08103	1.3
57.03431	13.7
57.07063	2.3
57.73752	1.2
59.04996	3.7
65.03928	3.6
67.05499	54.1
68.77232	1.3
69.03433	7.0
69.07062	14.9
69.12400	5.8
69.12803	2.7
71.01324	2.1
71.04993	9.9
77.03895	1.9
79.05483	60.3
81.03410	86.3
81.07049	59.1
83.01339	9.3
83.04971	26.3
83.08610	34.9
84.23676	1.4
85.02905	34.9
85.03405	2.5
85.06544	4.3
91.05471	58.2
93.07035	57.6
95.04964	47.1
95.08595	25.8
97.02873	6.3
97.06517	12.2
97.10154	10.8
99.04456	2.9
99.08068	3.3
103.05471	2.5
105.04532	3.5
105.07022	36.0
107.04941	21.0
107.08594	27.5
109.02894	2.6
109.06526	14.0
109.10152	9.6
111.04424	8.4
111.08080	15.5
113.06015	3.3
115.05466	4.0
117.07002	16.1
119.08571	31.3
121.02902	1.4
121.06488	9.2
121.10123	24.4
123.04433	3.1
123.08064	12.4
123.11686	2.4
125.05998	4.7
125.09595	6.3
128.06227	1.7
129.06998	13.1
130.07758	2.0
131.08551	18.8
133.06506	2.9
133.10112	15.2
135.08032	6.6
135.11684	18.8
137.05951	1.5
137.09605	5.4
137.13289	1.3
139.07516	1.3
142.07753	2.7
143.08562	3.3
145.06506	3.1
145.10123	26.9
147.08031	8.8
147.11676	15.5
149.09605	9.3
153.09064	1.5
153.12717	7.4
155.08549	4.3
157.10118	11.9
161.05899	1.6
163.11171	37.1
165.12820	2.8
173.09608	7.2
175.11182	16.5
177.12688	1.6
181.12207	9.8
189.11169	3.6
191.10678	7.2
193.12221	64.6
196.40324	1.3
209.11713	15.1
211.13258	67.8
212.13664	2.3
227.12749	17.4
231.13660	1.8
249.14867	2.8
253.86850	1.7
265.14349	4.5
267.15866	12.6
283.15463	6.0
355.22519	2.7
365.20786	1.9
383.22101	9.0
401.23285	5.3
434.83762	1.4
457.25656	2.4
475.26773	9.8
493.27927	100.0
494.28351	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	493.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01864	15.5
55.05505	35.4
57.03438	15.3
57.07063	3.5
61.86577	1.6
65.03938	5.4
67.05500	54.0
68.74573	1.5
69.03429	5.9
69.07069	13.6
71.04989	10.6
73.02875	2.1
76.56389	1.4
77.03922	2.0
79.05489	56.8
81.03412	71.2
81.07052	47.0
83.01339	2.4
83.04976	18.5
83.08620	32.5
85.02904	16.0
85.06516	3.3
91.05476	44.4
93.06442	2.8
93.07040	58.9
95.04963	45.4
95.08601	42.6
97.02882	7.9
97.06518	9.7
97.10163	9.6
99.04458	4.2
99.08118	2.5
103.05486	2.1
105.03329	1.8
105.04499	3.6
105.07026	35.3
106.07355	1.7
107.04948	23.1
107.08582	35.4
109.06493	10.9
109.10136	13.1
111.04454	7.7
111.08067	13.0
113.05990	2.4
115.05472	3.6
117.05537	1.3
117.07004	15.3
119.08570	26.0
121.02876	4.5
121.06506	10.4
121.10145	20.8
121.75221	1.5
123.04458	1.9
123.08084	5.4
125.09635	8.6
129.06999	8.8
130.07762	2.0
131.08554	15.7
133.06491	4.3
133.10114	7.2
135.08069	5.6
135.11685	35.9
135.12651	2.6
137.09583	2.8
142.07817	2.6
143.08543	1.6
145.10107	31.7
147.04463	2.5
147.08026	4.4
147.11700	11.2
149.09636	6.7
151.98451	1.5
153.12737	5.9
155.08675	1.8
157.10165	10.8
159.11746	1.9
161.05975	1.9
161.09589	1.7
163.11171	55.7
164.11600	1.7
165.12750	3.5
173.09525	2.7
175.11148	13.1
181.12207	17.1
183.11673	1.5
185.13345	1.7
189.11276	3.6
191.10670	5.1
191.24489	1.6
193.12228	51.9
193.13960	2.7
201.12927	2.0
201.14854	1.9
203.14345	1.8
205.12149	2.1
209.11665	9.6
211.13277	59.7
219.13741	2.8
227.12758	100.0
228.13263	2.0
247.13248	7.9
249.14830	3.5
267.15924	12.7
283.15381	8.8
321.16959	3.5
365.21161	1.9
383.22006	6.0
401.23224	6.1
419.24640	2.6
475.26868	16.8
493.27921	86.8
494.28461	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	493.2791
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02378	1.5
53.03945	8.1
55.01866	18.3
55.05504	48.1
57.03428	19.1
57.07065	2.9
58.48910	1.4
59.04987	5.0
59.62144	1.0
65.03928	4.8
67.05496	53.5
69.03412	7.5
69.06767	1.1
69.07063	13.5
69.95080	3.5
71.01340	2.0
71.04984	14.5
71.60822	1.0
77.03905	3.6
79.05483	61.2
81.03408	95.7
81.07046	57.3
81.07413	0.8
83.01337	13.3
83.04974	30.8
83.08606	41.0
85.02895	46.4
85.06534	3.1
87.04437	1.7
91.05470	65.0
93.07030	57.0
95.04955	45.3
95.08593	24.7
95.41841	1.2
97.02876	8.9
97.06518	11.7
97.10152	7.8
99.04456	4.5
99.08105	1.7
103.05431	2.6
105.04482	1.6
105.07016	44.6
107.04939	19.7
107.08576	31.3
109.02841	1.2
109.06516	14.5
109.10133	7.1
111.04433	7.9
111.08063	19.0
113.05991	3.0
115.05415	4.2
117.06995	15.4
119.08565	35.5
120.68290	1.1
121.06514	6.0
121.10120	25.1
123.08037	14.4
123.11713	2.9
125.05999	3.1
125.09598	5.1
128.06183	1.7
129.06976	19.2
130.07791	3.4
131.08557	17.1
133.06485	4.1
133.10104	11.1
135.08014	2.3
135.11671	17.1
137.09616	3.7
142.07816	3.3
143.08533	1.7
145.06467	2.2
145.10109	23.4
147.08031	5.8
147.11664	18.3
149.09592	10.2
151.11189	1.5
153.12727	5.3
155.08522	2.7
157.10088	16.7
163.11163	43.6
165.12747	4.1
173.09645	5.5
173.10944	1.1
175.11156	17.8
181.12206	7.0
189.11160	1.9
191.10661	4.5
193.12210	80.5
194.12517	2.2
209.11723	10.0
211.13258	81.4
212.13620	2.1
212.97577	1.1
227.12688	6.7
237.43109	1.5
249.14920	1.8
267.15906	4.0
275.72882	1.1
283.15439	4.8
285.17014	1.6
348.69672	1.1
363.59451	1.2
383.22122	4.1
401.23175	2.8
475.26990	3.2
493.27884	100.0
494.28043	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	493.2791
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.01601	0.8
51.02363	0.8
53.03938	3.7
55.01864	18.2
55.05502	44.0
57.03428	16.6
57.07061	2.1
59.04995	4.8
65.03936	3.2
67.05492	52.8
68.05820	0.8
69.03416	7.0
69.07060	13.7
71.01339	1.9
71.04981	10.5
71.41863	0.8
73.02879	0.7
73.06540	0.6
77.03926	1.9
79.05481	64.5
80.05810	1.1
80.48498	0.5
81.03405	90.5
81.07043	61.4
82.03735	1.5
82.07368	1.2
83.01330	11.0
83.04465	1.4
83.04969	32.6
83.08607	39.8
84.08933	0.7
85.02892	45.7
85.06520	4.4
87.04455	1.3
91.05466	61.3
92.05813	1.1
93.07031	58.1
94.07358	0.6
95.04952	46.5
95.08588	23.1
97.02876	7.4
97.06521	11.0
97.10156	7.9
99.04424	4.1
99.08099	1.4
103.05437	3.1
105.04507	3.6
105.07012	41.0
106.07343	0.7
107.04237	1.3
107.04938	18.7
107.08575	28.3
108.05253	0.6
108.08933	0.7
109.02840	0.9
109.06507	13.0
109.10128	6.9
111.04433	7.8
111.08058	14.8
111.19079	0.5
113.06004	3.8
115.05424	4.1
116.06244	0.7
117.07005	14.6
119.04922	1.2
119.08562	32.1
121.06491	6.5
121.09258	1.4
121.10120	23.4
122.10501	0.7
123.04417	1.4
123.07140	0.8
123.08044	13.9
123.08888	0.9
123.11713	1.7
125.05981	2.6
125.09614	5.1
127.07518	0.8
127.11176	0.7
128.06219	2.3
129.06996	15.1
130.07829	2.7
131.04935	1.3
131.08549	16.3
133.06493	4.1
133.10106	13.9
135.08018	4.3
135.11676	18.0
136.57388	0.5
137.05937	0.7
137.09608	3.8
137.13196	0.7
139.07515	1.0
139.11156	0.7
141.07066	0.7
142.07751	3.2
143.08575	2.1
145.06474	2.2
145.10104	22.3
146.10440	0.8
147.08035	7.0
147.11664	16.6
148.12057	0.6
149.05974	0.6
149.09583	8.1
151.11115	1.1
153.09045	0.5
153.12735	5.2
155.08528	3.1
157.10104	15.1
157.11383	0.8
159.08002	0.8
161.05965	0.9
161.09622	1.0
163.11156	38.2
164.11470	1.0
165.12740	3.8
173.09586	5.7
175.11159	16.8
176.11420	0.8
177.12807	0.6
181.12224	6.3
187.89943	0.6
189.11174	1.6
191.10605	6.0
193.12212	67.0
194.12563	1.7
209.11690	10.6
209.13481	0.9
211.13255	74.2
212.13658	2.1
227.12755	6.1
231.13881	0.8
249.14922	1.7
267.15875	6.5
276.48993	0.6
283.15268	4.8
285.17050	1.0
365.21237	1.5
371.16882	0.8
383.22061	6.2
401.23077	2.7
414.72012	0.6
457.25998	1.5
469.57309	0.6
475.26608	5.3
493.27905	100.0
494.28235	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47176	1.6
53.03934	8.3
55.01866	21.4
55.05505	49.6
57.03433	14.8
57.07075	3.8
59.05006	4.5
65.03937	6.4
67.05497	68.1
69.03419	8.0
69.07059	16.4
69.09417	1.6
69.23307	8.5
71.01354	2.6
71.04982	9.9
73.02921	2.6
77.03921	2.3
79.05484	70.3
79.05944	3.9
80.05824	2.1
81.03407	88.5
81.07051	63.3
82.04196	1.9
83.01336	4.2
83.04975	34.7
83.08611	36.4
85.02896	24.7
85.06540	4.0
89.87280	1.6
91.05472	66.6
93.07037	56.0
93.07492	1.2
93.69923	1.7
94.04139	1.9
95.04958	55.3
95.08588	29.1
96.05250	1.9
97.02909	11.5
97.06522	11.6
97.10157	15.8
98.07294	3.4
99.04401	2.9
99.08090	4.8
105.04503	3.9
105.07013	44.0
107.04949	22.2
107.08585	27.2
109.02911	3.6
109.06490	11.7
109.10136	17.0
111.04428	14.7
111.08078	16.3
115.05447	4.4
117.06999	15.2
119.04983	2.7
119.08569	34.4
121.02886	3.5
121.06488	13.4
121.10125	20.5
123.04433	2.0
123.08041	10.9
125.05963	3.8
125.09624	10.2
128.06201	2.8
129.07004	17.5
130.07805	3.3
131.05006	2.0
131.08560	18.1
133.06505	7.7
133.10112	15.6
135.04453	3.2
135.08069	7.6
135.11678	16.3
137.05943	1.8
137.09592	5.0
141.07004	1.8
142.07706	2.0
143.08530	3.2
143.38426	1.8
145.06511	3.4
145.10107	20.5
147.08025	10.6
147.11676	16.5
149.09589	12.4
151.11191	3.1
153.12746	7.8
155.08557	4.2
156.89058	1.6
157.10088	15.2
161.05948	2.3
161.09579	2.1
163.11165	36.5
165.12782	4.9
173.09637	6.2
175.11142	19.0
177.12836	1.8
181.12236	8.9
187.11197	2.2
189.11243	5.5
191.10619	12.3
193.12221	63.2
201.12691	2.0
201.14824	2.4
209.11714	28.8
210.12430	2.8
211.13261	51.8
227.12730	18.5
229.14362	3.2
247.13423	9.2
249.14828	4.9
265.14325	2.3
267.15863	12.6
283.15427	9.1
295.15512	2.2
321.16943	5.8
365.21237	4.1
383.22278	8.8
401.23154	8.1
419.24353	2.1
449.49457	2.1
457.25723	2.7
475.26874	21.7
493.27899	100.0
494.28333	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	493.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57836	2.2
54.43004	2.5
55.05504	7.1
57.07070	4.1
59.04978	2.4
59.06586	2.3
60.17266	2.4
64.01685	2.5
67.05493	12.1
69.07079	4.6
71.42974	2.7
71.77935	2.2
75.50965	2.2
79.05489	4.9
81.07061	6.5
83.08611	8.1
85.06581	2.5
85.10215	3.3
86.93959	2.4
91.05492	6.5
93.07044	9.5
95.05005	2.4
95.08602	100.0
97.06532	4.7
97.10206	4.6
98.23444	5.7
103.05471	3.3
105.07044	5.8
107.04978	3.2
107.08611	4.6
109.06505	4.2
109.10148	6.7
111.08063	6.1
113.09644	60.1
117.06979	2.6
119.08578	3.5
121.06487	3.7
121.10124	23.7
123.08070	3.7
123.11749	3.5
131.04919	3.8
137.06003	10.0
139.11145	21.2
143.08505	4.6
145.06479	2.6
145.10091	5.1
147.08023	2.6
149.09785	2.8
151.07570	4.9
157.12216	23.2
161.05994	2.9
161.09654	3.7
163.07549	5.5
164.99271	2.7
173.09627	5.9
175.07556	6.4
177.09164	9.8
181.10147	2.3
197.65222	2.5
199.11101	2.7
221.13277	2.8
225.12712	4.6
226.47202	2.7
229.21443	3.0
237.16460	2.5
239.18097	2.4
253.15895	2.9
267.17374	3.1
283.16727	4.9
284.17886	3.0
299.16333	22.7
301.17950	36.0
302.18781	8.7
309.18384	3.1
327.19614	7.4
331.08032	3.5
345.20557	38.1
351.19440	2.5
360.08966	2.4
413.30368	4.1
439.28116	15.5
457.29401	10.5
466.89099	2.7
474.81488	2.9
475.30603	8.0
481.30057	2.6
493.20114	5.2
493.34979	4.2
507.59213	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	493.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67359	7.5
52.97583	7.0
57.07069	64.8
67.05493	16.9
69.07050	18.9
71.08626	51.7
81.07046	33.8
83.08606	20.7
85.10187	20.0
95.08588	35.9
97.10148	14.1
109.10125	19.1
111.11734	8.0
118.91829	7.3
123.11733	9.6
124.03484	7.1
124.93745	11.6
153.82364	7.9
156.96350	19.0
239.23708	39.3
257.24615	8.2
263.61404	8.1
313.27255	100.0
443.38971	8.6
461.19925	8.3
493.23294	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01871	1.7
57.03435	4.9
61.02925	8.0
64.49619	0.7
65.03939	1.1
67.60506	0.7
69.03421	15.2
71.04984	1.3
73.02905	3.6
79.10233	0.9
81.03403	6.9
83.01346	0.8
85.02896	100.0
86.03230	1.0
87.04471	2.9
91.03928	5.8
97.02883	24.7
99.04402	3.9
109.02873	7.9
121.02862	22.5
127.03899	22.4
141.02727	0.9
145.04942	48.8
152.10744	0.8
153.01845	3.0
153.05449	32.8
154.55719	0.8
162.05521	4.9
163.03896	1.1
163.06017	13.6
163.07410	0.9
180.06302	5.0
180.08812	1.0
180.10199	3.2
206.43692	0.9
279.12335	1.1
289.09491	0.8
300.05801	1.6
331.21704	0.9
480.63791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99727	1.1
52.22767	1.0
53.03931	3.2
55.01862	3.6
57.03428	2.1
59.47604	0.9
61.02904	1.4
69.03429	10.3
71.04971	1.4
73.02911	2.2
81.03411	11.5
83.13284	1.3
84.08085	1.2
85.02893	24.2
87.00819	7.2
93.29552	1.0
97.02901	8.1
99.04440	2.8
105.01842	5.5
105.07017	2.1
108.04479	3.0
109.02872	7.7
110.69874	1.1
111.04445	2.2
121.06497	2.7
123.04424	3.1
124.05148	1.6
127.03925	15.2
137.06001	2.6
138.05453	1.2
145.04962	5.8
145.06303	1.2
149.05916	1.2
151.07483	1.3
153.01833	6.0
153.09093	1.7
159.02879	4.6
161.05939	1.5
163.03876	2.3
167.07021	100.0
168.07407	2.5
173.05922	2.5
175.07564	1.4
179.07008	1.7
181.08568	6.5
190.06302	1.4
193.08665	6.1
205.08572	3.2
207.10156	2.6
211.09619	18.7
213.04063	1.7
217.08624	1.5
219.10338	1.3
221.08090	3.6
229.10658	11.9
231.04942	2.0
235.09702	2.5
239.09143	2.9
247.96991	1.4
253.10709	5.1
259.09723	2.2
277.10760	2.1
295.11676	3.2
301.10910	1.5
319.11774	6.2
320.55984	1.2
337.12747	3.9
494.20294	2.5
508.98602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23970	1.1
53.03939	2.2
53.68215	1.1
55.01844	1.4
55.05499	1.4
57.03423	2.5
58.74041	1.0
58.99580	4.3
61.02925	1.6
67.05496	9.4
69.03423	95.1
69.07066	1.7
70.03779	1.3
70.06590	3.1
71.04637	1.1
71.04984	6.3
75.15994	1.1
75.25687	1.1
76.02222	11.8
79.05497	1.7
81.03402	4.3
81.07046	10.1
83.04987	1.9
83.08621	1.8
85.02899	25.3
85.06539	15.4
86.99033	2.0
89.03900	1.6
89.06010	3.1
91.05463	2.6
93.07044	3.6
95.04942	1.2
95.08598	9.3
97.02890	10.2
105.00089	5.3
107.08595	3.6
109.02893	4.5
109.10141	49.7
111.08066	41.2
111.08833	2.3
117.03436	1.8
119.05048	1.2
119.08585	3.0
120.83160	1.2
121.10155	3.1
122.02715	83.5
123.11694	14.6
125.09653	1.4
127.03922	6.8
133.10132	1.5
135.04378	5.3
135.08081	1.5
135.11732	1.9
137.05974	4.9
137.09613	2.3
138.05582	1.3
143.05237	10.4
145.02817	2.8
145.04941	6.5
146.02719	1.1
149.13269	2.9
153.01833	5.8
154.05099	1.3
155.10654	7.7
163.03889	25.4
167.07071	1.4
175.14793	4.1
180.06187	1.3
181.05011	1.7
193.15849	58.5
211.09650	1.7
211.16905	100.0
212.17186	2.7
219.10057	1.2
223.33900	1.2
225.13077	2.0
243.14098	17.3
266.19989	1.2
269.08130	1.4
297.07666	1.7
332.18839	31.1
333.19193	1.3
494.16272	1.9
494.24002	3.1
518.93652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	17.1
61.36509	10.7
65.54922	8.8
67.05512	9.4
69.03425	11.8
69.07066	15.1
71.43677	8.2
72.04496	18.2
78.10589	8.8
81.03379	10.6
81.07043	13.0
83.05013	10.0
85.02911	12.6
90.05524	14.6
93.07026	9.5
94.13596	9.1
95.04947	14.3
95.08586	21.4
97.02858	9.1
98.02383	15.7
109.02874	13.7
109.10143	19.1
116.03443	20.4
119.08540	14.9
121.10097	11.9
124.07588	15.8
137.09587	34.9
142.08568	14.1
175.14783	25.4
184.09680	19.1
193.15877	52.9
202.10690	100.0
328.13971	19.9
364.15836	14.9
465.98013	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	494.3241
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05514	1.8
56.05023	1.1
57.07059	0.9
58.06585	1.1
60.08158	19.2
60.08466	1.2
67.05490	2.4
69.07054	2.0
70.06584	1.4
71.07363	7.2
71.43406	0.7
81.07029	2.1
83.08616	0.9
86.09696	50.8
87.96870	0.6
88.07618	0.8
93.06994	0.8
95.08594	1.5
98.98453	3.6
104.10732	95.1
105.11083	0.9
118.60802	0.7
121.10136	0.7
124.99989	30.4
127.11060	0.7
137.45784	0.7
149.02286	3.3
166.07994	0.7
174.41165	0.8
184.07320	100.0
185.07721	0.8
193.04961	3.2
237.07532	2.4
258.11087	1.3
277.79266	0.7
284.29407	1.9
311.25775	1.3
476.31360	6.3
486.12381	0.8
494.32336	24.7
495.32971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01860	4.8
55.05503	12.3
57.03416	2.0
57.07066	4.1
59.04996	21.9
67.05495	13.3
69.03423	22.4
69.07047	7.7
69.76353	5.7
71.04976	13.4
73.87041	1.7
79.05492	20.4
81.03400	3.4
81.07053	16.4
83.04520	3.3
83.04977	35.2
83.08597	2.9
85.02888	2.8
85.06556	13.0
87.04469	2.5
91.05466	26.4
93.07036	34.2
95.04961	12.9
95.08592	17.3
97.06525	21.2
98.23296	3.6
99.04447	10.9
102.16135	1.8
103.05449	3.8
105.03375	2.3
105.04507	2.6
105.07024	30.8
107.04923	5.4
107.08594	32.4
109.06506	19.1
109.10152	7.3
111.04441	21.2
111.08082	11.4
113.06007	7.5
115.05459	3.6
115.07581	4.8
117.07018	14.3
119.04910	4.2
119.08566	18.6
119.47740	1.9
121.06494	19.3
121.10116	13.4
123.08047	29.6
123.11694	2.6
125.09606	9.2
128.06206	3.4
129.05482	14.1
129.06993	8.5
130.07796	4.1
131.04906	2.1
131.08565	32.2
133.06464	7.5
133.10095	19.9
135.08038	13.2
135.11671	11.0
137.05966	10.8
137.09569	5.0
139.07526	5.1
141.06969	2.6
141.09062	6.4
142.07776	2.6
143.08557	17.8
145.04735	2.1
145.06474	5.5
145.10112	43.1
147.08043	14.7
147.11642	11.9
149.09584	12.3
151.07509	5.3
151.11137	6.5
154.07777	3.8
155.08519	14.2
156.09238	2.5
157.06435	2.9
157.08595	7.3
157.10107	13.1
158.07272	6.6
159.08061	12.2
159.11703	19.8
161.09604	19.0
161.13242	3.9
162.45953	1.9
163.07524	3.8
163.11163	9.8
165.07002	2.4
167.08548	2.4
168.09302	3.4
169.10094	10.7
171.08012	12.3
171.11705	8.6
172.08745	3.5
173.09610	52.6
173.13298	11.3
175.11172	10.0
175.14822	2.4
177.09109	5.4
177.12688	3.0
179.10683	6.4
181.10127	6.0
182.10934	3.0
183.11676	7.9
185.09560	4.1
185.13258	6.0
187.11174	24.8
187.14656	2.2
189.09070	11.1
189.12721	4.2
191.10678	20.8
193.10167	4.2
193.12244	11.8
195.11705	6.7
197.09517	3.6
197.13239	8.6
198.10394	2.5
199.11191	6.4
199.14658	2.0
201.12724	7.1
205.12230	6.1
207.11671	4.4
209.09839	2.3
209.11659	5.6
209.13228	7.3
211.11160	5.2
211.13240	4.8
211.14938	4.3
213.12759	11.9
215.14363	9.2
219.11769	2.5
219.13765	5.7
221.13252	4.6
223.11215	4.0
223.14856	5.0
225.12701	7.9
226.13525	2.0
227.14252	6.8
229.12247	4.9
231.13786	22.3
233.15314	3.6
237.12529	2.4
237.16473	6.6
239.14206	4.4
241.15855	3.3
243.13870	3.7
245.15404	3.7
249.14742	17.3
253.15848	5.5
255.17316	4.6
263.14215	2.7
263.16653	2.3
265.15833	13.7
265.19223	3.9
267.17474	3.9
271.17160	2.7
275.18027	3.6
275.74634	2.0
283.16925	20.4
285.18503	3.5
293.18887	9.2
295.20459	6.7
299.16455	2.5
301.17920	7.8
311.20001	15.1
313.18307	2.1
313.21643	9.4
321.18509	11.7
329.21091	8.1
331.22873	4.5
339.19507	14.1
357.20639	11.8
371.22043	22.1
373.23541	4.7
375.21652	4.5
383.21960	2.5
387.22858	3.0
395.25812	2.9
399.25235	16.4
401.23056	7.7
405.24069	20.3
413.26538	3.0
423.25269	47.5
424.25967	2.3
441.26352	76.8
442.26376	4.8
459.27347	100.0
460.27603	5.0
477.28430	4.8
495.29623	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05511	5.8
57.03419	2.4
57.07072	3.9
59.04996	17.8
60.44231	2.2
64.61110	2.5
67.05500	15.4
69.03426	25.6
69.07059	5.7
69.89664	7.5
69.89996	2.8
71.04985	11.1
77.03916	3.2
79.05485	15.8
81.03422	5.3
81.07045	21.5
83.04974	32.5
83.08608	3.9
85.06544	7.3
91.05466	19.1
93.07036	36.1
95.04952	16.5
95.08599	21.6
97.02880	3.0
97.06533	16.5
98.23331	3.7
99.04456	5.3
101.06000	3.2
104.14703	2.5
105.07019	29.1
107.04937	5.5
107.05845	2.5
107.08575	28.8
107.09160	2.8
109.06492	13.4
109.10158	10.2
111.04429	25.8
111.08089	12.5
113.06033	5.2
113.09741	2.7
115.05423	4.2
117.07029	11.6
119.04954	4.2
119.08555	28.4
121.02905	2.6
121.06454	16.1
121.10145	15.7
123.08061	17.3
124.03962	2.7
125.06031	3.1
125.09640	6.1
128.06215	2.9
129.05498	13.1
129.06996	5.5
131.08546	28.9
133.06476	6.1
133.10138	18.1
135.08017	14.5
135.11722	13.0
137.06001	7.0
137.09627	7.2
139.07527	4.0
141.06985	4.3
141.09109	7.8
143.08539	15.0
145.06512	5.5
145.10104	35.1
147.08051	10.2
147.11688	7.0
149.05983	2.7
149.09612	10.8
151.07509	3.0
151.11189	4.7
153.01814	26.0
155.08618	10.0
157.06404	2.4
157.08714	3.7
157.10109	9.7
159.08049	10.9
159.11699	15.7
161.09631	14.4
163.07526	3.7
163.11163	8.8
167.10600	2.6
169.10156	10.5
171.08041	12.2
171.11734	8.9
173.09612	51.0
173.13260	11.5
175.11197	9.2
175.14864	5.2
179.03897	2.6
179.10670	7.1
181.04956	22.2
181.10097	7.1
183.11684	6.5
185.09497	4.8
185.13268	6.0
187.11153	24.5
187.14804	2.9
189.09096	6.3
189.12642	3.4
191.10655	19.8
193.10269	2.5
193.12259	11.1
194.16278	3.1
195.08028	3.2
195.11699	8.4
197.13222	4.3
199.11209	8.7
201.12718	8.3
205.12209	6.2
209.11621	5.2
209.13315	6.4
211.11208	4.3
211.13089	3.4
213.12758	10.2
215.14302	8.0
217.12265	4.0
219.11795	3.0
219.13812	8.0
223.14813	4.2
225.12730	7.8
225.16466	2.9
225.83887	2.6
227.14325	5.8
229.12274	4.4
231.13737	14.9
233.15430	5.3
237.16249	7.0
243.13817	3.7
245.15504	4.4
247.14790	4.5
249.14851	11.2
251.14241	4.0
253.15843	5.1
255.17433	6.2
263.16440	4.6
265.15817	18.3
283.16873	20.4
285.18304	3.5
289.48468	3.4
293.18942	8.6
295.20526	5.3
299.16483	3.2
301.17889	10.9
303.19562	4.4
303.77280	2.7
311.20065	16.7
313.21524	9.3
321.18604	10.5
329.21097	8.6
337.21838	3.6
339.19519	16.1
355.22607	4.1
357.20563	10.7
371.22076	12.1
373.23544	4.4
375.21841	3.3
377.24622	3.1
399.25409	6.2
405.24185	20.7
413.26849	3.1
423.25269	63.8
441.26349	100.0
442.26300	6.2
459.27359	99.1
460.27725	3.8
477.28336	11.2
495.18433	13.0
495.29218	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03932	2.9
55.05508	18.7
57.03178	0.9
57.03437	11.3
59.04998	1.3
59.82666	0.5
60.12146	0.6
65.03927	1.6
67.05502	29.7
68.05814	0.6
69.03427	5.9
69.07063	8.4
71.04988	6.8
73.02922	0.8
76.90106	0.5
79.05489	34.3
80.05793	0.6
81.03414	80.8
81.07050	35.4
81.91299	0.5
82.03771	0.6
82.07396	0.7
83.04979	16.3
83.08118	1.4
83.08617	29.2
85.02902	41.5
85.06545	3.0
91.05477	42.7
92.05795	0.9
93.07042	21.5
95.04964	37.3
95.08600	12.8
97.02882	3.7
97.06526	5.5
97.10158	6.0
98.23418	1.5
99.04453	0.8
99.08099	1.5
100.11250	2.5
105.04530	1.3
105.07024	32.7
107.04954	9.0
107.08588	11.1
109.06514	8.3
109.10136	4.2
111.04456	3.6
111.08071	14.9
113.05991	3.4
115.05449	2.4
116.06277	0.5
117.07030	3.0
119.04946	0.7
119.08570	26.3
121.06477	2.4
121.10142	14.0
123.08071	3.8
123.11710	3.0
125.05984	0.9
125.09629	2.8
127.07505	0.9
128.06238	1.5
129.06998	13.6
131.08560	15.6
133.06458	3.9
133.10126	12.6
133.75771	0.6
135.08063	1.3
135.11688	1.2
136.11217	0.7
137.09627	3.2
141.07002	0.9
142.07806	3.9
145.10133	3.5
147.08043	4.4
147.11671	21.2
148.12010	1.1
149.09601	9.3
149.10773	0.6
151.11212	1.2
152.21419	0.6
157.10127	16.5
163.11174	1.0
165.12753	5.9
167.06981	0.7
167.34821	0.6
168.13838	1.3
175.11182	21.5
182.15576	0.8
184.16998	0.9
189.11168	0.8
191.14178	1.0
193.12238	84.8
194.12578	2.3
197.05905	1.4
210.14935	0.8
211.13280	100.0
212.13609	2.3
219.13771	1.7
249.14879	0.9
259.15332	1.0
267.15939	6.9
285.16849	3.4
293.17487	1.6
367.22415	1.3
385.23938	0.8
403.24817	1.1
459.27448	1.7
477.28305	5.1
495.29559	72.8
496.30042	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03938	3.2
54.96691	0.4
55.05505	22.0
57.03435	15.1
57.07072	0.9
59.04992	1.8
61.00009	0.4
63.46931	0.4
65.03931	3.1
65.41523	0.4
67.05498	34.0
69.03067	0.5
69.03423	6.5
69.07061	8.3
69.98145	1.4
71.01335	0.4
71.04987	7.3
73.02892	0.6
73.06519	0.5
77.03908	1.5
79.05486	38.2
80.05817	0.7
81.03410	93.4
81.07049	39.9
81.07411	0.7
82.03735	0.9
82.07365	0.5
83.04973	20.0
83.08613	31.8
84.05310	0.4
85.02898	49.6
85.06541	2.7
87.04462	0.8
91.05473	48.9
93.07036	23.9
95.04959	41.9
95.08593	15.1
97.02888	4.0
97.06522	6.2
97.10159	5.0
99.04402	0.8
99.08099	1.9
101.06007	0.6
103.05459	1.2
105.04519	1.7
105.07021	33.4
106.07351	0.7
107.04950	8.8
107.08586	11.3
109.06519	6.5
109.10134	3.7
111.04440	3.6
111.08071	15.2
113.05985	4.6
115.05440	2.3
116.06225	0.6
117.07015	2.4
119.04897	0.9
119.08572	28.5
120.08906	0.7
121.06513	2.1
121.10134	11.7
123.08062	3.2
123.11658	2.8
125.05976	0.8
125.09631	3.0
127.07537	1.0
128.06244	0.9
129.06999	15.6
131.08554	14.8
133.06471	3.5
133.10117	13.2
135.08099	0.8
135.11705	0.5
137.09587	1.6
141.06989	1.0
142.07776	4.2
145.10097	2.4
147.08049	4.3
147.11670	19.9
149.09601	8.5
151.07434	0.5
151.11215	0.7
155.08595	0.5
157.10121	17.5
163.11153	1.1
165.12762	4.6
175.11166	22.2
183.13786	0.5
193.12221	84.1
194.12541	2.1
211.13266	100.0
212.13612	3.0
227.12816	0.6
267.15857	6.7
277.62350	0.4
285.16876	3.2
313.89401	0.4
367.22464	0.9
385.23752	1.3
403.24600	0.4
433.26132	0.4
459.27441	1.4
477.28317	2.9
495.29474	70.9
496.29721	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45417	0.9
51.02380	1.1
53.03946	5.3
55.01865	4.2
55.05254	1.9
55.05503	23.3
57.03432	14.6
59.67690	1.0
64.82671	1.2
65.03938	3.0
66.02430	1.1
66.19667	1.1
67.05498	42.4
69.03421	5.9
69.07054	12.1
70.38937	2.1
71.04993	8.8
73.02898	1.3
73.06459	1.1
77.03958	1.3
79.05483	46.3
81.03407	95.3
81.06559	1.9
81.07047	44.2
83.04973	20.1
83.08607	35.5
85.02895	48.1
85.06538	3.9
91.05470	50.9
93.07034	28.4
95.04958	40.5
95.08595	17.8
97.02887	4.6
97.06517	5.1
97.10132	6.4
99.08080	2.3
105.04517	2.7
105.07017	34.0
107.04951	8.9
107.08569	11.5
109.06488	8.6
109.10161	5.9
110.30103	1.0
111.04431	3.8
111.08064	17.0
113.06009	3.4
115.05444	2.5
117.07018	3.7
119.08565	32.5
119.09420	1.8
121.06516	2.7
121.10111	13.7
123.08089	4.7
123.11708	2.4
125.09621	3.2
129.06989	15.1
131.08546	17.4
133.06482	4.7
133.10106	12.9
135.11681	2.3
137.09621	4.3
142.07808	4.1
145.10097	3.2
147.08058	5.9
147.11665	20.0
147.12708	1.8
149.09575	9.1
155.08502	1.2
157.10089	21.7
163.11168	2.3
165.12756	6.2
167.10706	1.3
175.11142	26.2
178.97957	1.1
189.11263	2.2
193.12218	87.6
194.12561	1.8
211.13257	100.0
212.13702	1.9
234.15877	1.2
267.15881	11.6
285.16928	5.6
367.22903	2.2
385.23593	1.5
459.27628	3.6
460.27829	1.2
477.28290	4.4
495.29501	83.4
496.29782	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	495.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.1
55.05505	34.2
57.07061	4.9
59.04995	5.0
65.03925	4.4
66.57688	2.9
67.05494	40.9
69.03428	12.7
69.07061	22.8
69.52610	11.6
71.04994	5.4
79.05491	26.4
81.07043	28.7
83.04973	14.8
83.08620	53.4
85.06551	7.8
89.24028	2.7
91.05464	34.0
92.29614	2.7
93.07033	64.6
95.04953	95.2
95.08592	90.6
97.06529	24.7
99.08123	3.7
105.03372	6.9
105.07009	37.1
105.24830	2.8
107.04922	5.9
107.08591	41.5
109.06500	25.4
109.10126	8.0
111.04458	8.0
111.08063	37.8
113.09638	26.2
117.06987	16.9
119.04987	3.9
119.08540	28.3
121.06512	16.6
121.10124	58.2
123.08069	35.4
123.11688	4.6
125.05933	4.4
125.09616	7.2
128.06171	8.1
129.07007	8.6
130.07834	5.8
131.08559	43.8
133.06567	5.3
133.10117	19.8
135.08043	13.7
135.11673	9.3
137.05936	15.4
139.11160	23.5
141.09166	3.8
141.12766	6.1
142.07785	4.3
143.08539	26.0
145.06433	6.0
145.10109	91.9
145.11226	6.4
147.08000	14.1
147.11671	12.1
149.09615	12.0
149.13239	5.9
151.11205	3.8
153.01828	4.0
155.08577	10.2
157.10170	19.6
157.12231	10.0
158.07289	6.3
159.08063	13.7
159.11665	39.2
161.09576	18.3
161.13240	9.1
163.11160	8.9
163.14799	4.6
167.08624	5.0
169.10120	13.5
171.08043	21.0
171.11676	7.8
173.09605	49.8
173.13225	32.7
175.11172	7.8
177.12807	2.9
179.14276	80.6
180.09283	3.6
181.10056	6.4
183.11667	12.1
185.09666	7.7
185.13263	7.9
187.11162	19.8
189.09167	8.6
189.12747	6.3
191.10616	23.9
191.14276	5.7
195.11714	10.0
197.09607	5.5
197.13246	11.5
199.11205	10.7
201.12698	18.7
203.10670	4.1
203.14371	4.1
205.12212	9.2
206.93219	3.4
207.11723	3.3
209.11568	5.1
209.13281	9.2
211.11188	6.5
213.12735	13.4
215.14305	11.5
219.13747	45.0
221.13268	5.4
223.11292	5.3
223.14687	5.5
225.12894	5.8
227.14433	5.4
229.12279	6.4
231.13782	10.8
235.14713	4.7
237.12717	6.0
237.16348	5.5
243.13657	4.4
247.13142	5.5
249.14854	11.5
253.15981	5.6
255.17441	6.0
265.15784	12.4
265.19327	4.5
267.17365	4.4
275.17987	3.6
277.15829	3.8
283.16904	21.1
283.20193	5.2
285.18381	8.1
293.18942	17.9
295.20660	4.3
299.16443	5.8
301.18091	17.8
303.19748	18.1
311.20035	31.9
311.78009	2.8
313.21646	6.2
319.19043	8.5
321.18414	8.8
329.21030	36.2
331.22751	9.6
339.19510	31.5
347.22141	7.5
357.20547	98.3
358.20712	5.7
359.21872	5.3
371.22095	98.6
372.22623	6.9
373.23712	5.5
375.21606	12.5
377.23151	8.1
399.25192	4.9
405.24100	5.4
423.25241	11.4
423.29865	4.1
441.25571	14.8
441.29996	32.4
459.31699	100.0
459.40741	3.9
460.31375	6.6
477.32236	6.9
495.14450	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	495.3315
Annotation	24-epi-Makisterone A
Peak:m/z	Relative Intensity
53.20662	3.8
54.23771	3.5
55.05503	22.1
56.54361	4.1
57.03419	6.3
59.61494	3.5
65.03932	5.9
67.05205	3.9
67.05502	39.4
69.03429	7.2
69.07061	16.6
69.30656	20.4
79.05489	21.0
81.03422	3.8
81.07051	32.6
83.04984	5.5
83.08597	30.0
89.15968	3.6
91.05484	27.7
93.07037	49.1
95.04968	79.1
95.08606	81.6
97.06509	12.7
99.04470	5.5
105.03387	5.1
105.07017	35.8
107.08591	38.4
109.06518	17.8
109.10128	10.5
111.08106	31.7
113.09643	22.8
117.07004	12.6
119.04879	5.4
119.08561	20.5
121.06484	15.9
121.10139	45.3
123.08064	32.8
128.58627	3.6
129.06979	7.5
131.08578	35.7
133.10112	22.0
135.08067	8.5
135.11678	12.4
137.05994	5.9
137.09561	5.9
139.11188	23.4
141.12738	6.3
143.08566	23.2
143.09509	3.5
145.06473	5.2
145.10098	66.3
147.08046	13.9
147.11681	10.7
149.09637	9.0
149.13203	5.0
155.08505	9.4
157.06451	4.7
157.10103	11.1
157.12215	11.2
158.07251	5.5
159.08040	11.6
159.11661	29.6
161.09624	12.0
161.13235	13.0
163.11188	9.3
163.14746	5.0
167.10620	5.4
169.10075	11.2
171.08043	13.6
171.11691	14.6
173.09607	33.8
173.13254	32.9
175.11127	6.1
175.14688	3.9
179.14299	83.6
181.10112	6.1
183.11652	9.9
185.13268	5.1
187.11168	13.2
189.09052	9.4
191.10648	21.3
191.14455	8.8
195.11684	11.7
197.13260	10.3
199.11108	7.8
201.12784	11.4
205.12244	6.4
207.11772	5.4
209.13350	6.2
211.11169	7.6
213.12772	13.0
215.14230	11.0
217.12320	5.1
219.11818	7.1
219.13757	45.5
221.13298	4.6
223.34254	4.4
225.12701	7.8
227.14240	7.7
229.12253	7.8
231.13783	8.0
231.17416	3.9
237.16435	6.4
239.14494	3.8
243.13782	4.8
249.14795	8.6
265.16077	7.1
267.17291	4.5
283.16898	17.1
293.19025	11.5
299.16437	5.5
301.17807	9.7
303.19467	16.1
311.20007	20.4
313.21848	6.5
319.18808	6.8
321.18320	5.2
329.21069	37.7
331.22623	5.9
339.19431	22.6
341.20868	5.0
347.22314	8.5
353.21066	7.9
357.20605	90.3
359.22015	5.6
371.22168	80.2
372.22482	5.1
373.23666	5.4
375.21548	13.3
377.23386	4.6
423.29367	5.9
441.30731	30.3
459.31396	100.0
460.31656	4.1
495.18695	5.9
495.29642	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	495.3314
Annotation	Panuosterone
Peak:m/z	Relative Intensity
55.05507	13.4
57.03408	2.5
57.07057	5.1
65.03947	2.7
67.05499	32.1
69.03419	5.5
69.07063	13.2
69.29951	7.6
69.30336	4.5
71.04993	3.8
71.28876	2.4
74.38046	2.5
78.32179	2.4
79.05498	16.7
81.03380	2.5
81.07038	20.1
83.04991	4.1
83.08611	26.6
85.06549	4.9
91.05470	20.1
93.07027	39.9
95.04957	65.1
95.08014	5.3
95.08594	71.8
96.08916	2.6
97.06528	13.5
105.03394	4.3
105.07018	28.2
107.04961	5.5
107.08581	25.8
109.06518	14.0
109.10143	9.1
111.08074	21.8
111.11750	3.2
113.09660	16.2
115.05444	2.5
117.07012	6.6
119.08569	17.5
121.06486	11.1
121.10134	38.5
123.08060	19.1
123.11660	3.4
125.09662	2.9
129.06992	4.7
131.08574	29.1
133.06458	4.3
133.10117	12.1
135.08031	8.5
135.11664	9.0
137.05972	8.5
137.09576	3.5
139.07553	3.5
139.11166	17.8
141.07011	3.6
141.12750	5.9
143.08476	13.3
145.06482	4.6
145.10110	60.1
146.72758	2.9
147.08037	10.0
147.11697	7.2
149.09656	7.5
149.13246	3.0
151.11211	3.3
155.08516	6.7
157.10088	9.4
157.12234	6.9
159.08075	8.5
159.11658	18.8
161.05928	6.2
161.09592	8.0
161.13258	8.5
163.07567	3.3
163.14865	5.6
167.08549	2.6
169.10149	5.2
171.08040	8.6
171.11702	5.0
173.09631	24.6
173.13216	23.5
175.07603	3.3
175.14830	4.4
176.08298	21.6
177.05612	2.9
177.09010	3.2
179.08554	3.1
179.14284	66.8
181.10132	4.0
183.11691	7.0
185.09634	4.4
185.13342	5.7
187.11189	8.5
187.14888	3.6
189.09064	5.3
191.10626	13.6
191.14343	5.8
195.11697	7.5
197.13242	4.4
199.11189	3.9
199.14880	3.3
201.12721	8.2
203.14279	2.7
205.12241	7.7
207.10161	22.2
207.11862	4.1
210.13573	3.0
211.11140	5.1
211.14806	3.5
213.12762	4.8
215.14349	7.2
219.13768	37.5
222.13840	3.1
223.11070	3.8
223.15050	3.1
225.12790	6.1
227.14279	6.3
229.12128	5.9
231.13860	5.6
237.16345	3.6
243.13750	3.0
247.13165	4.9
253.15726	3.9
255.17430	5.3
263.13919	2.6
265.16156	5.3
265.19601	2.9
275.17816	2.6
283.16891	11.2
283.20566	3.5
285.18539	5.1
293.18909	11.7
299.16431	3.8
301.17902	12.4
303.19443	12.7
311.19922	18.1
313.21375	3.8
319.19025	4.2
321.18442	6.3
329.21085	32.0
331.22696	3.8
339.19464	24.5
347.22052	6.6
357.20538	83.3
358.20816	3.6
371.22180	23.4
375.21582	14.1
377.22897	3.9
423.29175	3.3
441.30380	21.9
449.64221	2.4
459.31165	100.0
460.31595	5.3
477.32318	5.8
495.19354	3.6
495.29901	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	495.3315
Annotation	24-epi-Makisterone A
Peak:m/z	Relative Intensity
55.05508	24.9
56.95249	3.4
57.03429	6.7
61.02888	3.5
67.05497	42.0
69.03406	9.5
69.07068	19.8
71.04989	9.2
71.43604	3.6
79.05494	32.3
81.03409	8.2
81.07049	64.4
81.51498	2.8
83.04993	5.0
83.08615	32.2
85.02883	17.3
85.06538	3.7
91.05473	25.4
93.07043	52.4
94.07346	3.0
95.04957	58.7
95.08601	66.4
97.02885	4.7
97.06511	14.8
97.10138	7.3
105.07011	27.9
107.04975	16.2
107.08592	29.2
109.02854	3.9
109.06494	27.0
109.10165	10.1
111.08064	24.9
113.09634	11.4
117.07030	7.8
119.04928	4.3
119.08581	22.2
120.08031	3.4
121.06487	17.2
121.10131	32.9
123.08072	17.5
125.09625	9.3
128.06291	3.5
129.07057	5.6
130.51877	3.2
131.08562	32.5
133.10117	11.5
135.08035	13.0
135.11671	6.7
137.05983	11.5
137.09636	5.9
137.13248	7.2
139.08723	3.1
139.11180	17.8
141.12804	4.5
143.08533	16.0
145.04945	9.4
145.06438	3.9
145.10106	46.9
147.08009	11.0
147.11707	10.9
149.09601	10.8
149.13173	5.1
153.01819	4.8
153.09018	3.4
155.08498	6.7
157.10075	8.3
157.12225	9.6
159.08061	8.1
159.11685	24.2
161.09624	5.1
161.13203	7.4
163.07416	4.0
163.11206	8.7
163.14764	4.8
167.08572	9.0
169.10132	7.8
171.08023	12.4
171.11707	5.9
173.09598	18.4
173.13249	22.5
175.11229	5.0
178.75807	3.4
179.14287	41.3
181.10104	4.4
183.11664	4.1
185.09599	7.1
187.11163	9.4
189.09155	5.3
191.10703	5.3
191.14255	6.5
195.11699	5.4
197.13222	6.8
201.12743	12.7
205.12196	4.0
209.13310	4.8
213.12685	4.7
215.14244	8.6
219.13750	46.5
225.12781	5.4
229.12280	4.0
231.13771	8.1
247.13226	6.3
249.14748	6.6
253.15962	5.4
259.15445	9.1
265.15912	5.5
283.16861	10.4
293.18277	6.2
301.18021	7.4
303.19565	8.2
311.19989	10.3
321.18387	4.1
329.21088	25.1
331.22800	4.9
333.24277	7.0
339.19531	17.9
357.20560	58.2
371.22003	26.4
375.21616	13.7
377.23117	9.0
385.23587	5.1
423.29086	6.7
441.30182	25.4
459.31061	100.0
460.31583	4.2
471.16248	4.0
495.22198	39.9
496.21680	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03239	0.6
55.01865	0.8
62.86376	0.5
69.03423	3.4
69.29624	3.4
72.52306	0.7
72.56886	0.5
79.01855	2.0
81.03414	7.3
81.07040	0.7
85.02910	3.2
91.05473	0.9
93.07005	0.6
97.02886	6.8
98.22701	1.2
107.01311	0.8
109.02870	5.8
125.02330	2.6
127.03905	7.8
137.09631	0.9
143.03427	3.5
145.04939	2.1
147.04370	2.3
151.03889	1.0
153.01816	100.0
154.02187	2.3
171.02864	16.9
172.03270	0.6
193.21620	0.6
297.06024	13.6
299.16077	0.6
315.07071	14.6
315.10498	1.2
316.07709	0.6
414.68286	0.7
422.08722	0.6
424.48483	0.6
435.33743	0.7
460.27664	0.9
496.18356	0.7
497.19708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05034	0.5
57.03431	0.2
57.07079	0.9
58.06368	0.2
58.06615	0.4
59.07368	0.2
60.08157	5.9
67.05492	0.5
69.07047	0.3
71.07373	2.8
71.08630	0.7
79.05492	0.4
81.07047	0.6
83.08604	0.3
85.00921	0.2
85.10172	0.2
86.09698	30.7
87.10016	0.2
91.05480	0.4
93.07014	0.3
95.08610	0.4
98.98458	3.1
104.10731	3.1
124.99992	21.9
133.09999	0.2
140.82072	0.1
143.00984	0.2
143.89001	0.2
146.10863	0.2
184.07323	100.0
185.07686	1.0
313.27158	0.2
351.82043	0.2
461.28226	0.2
478.33224	1.0
496.34222	2.0
497.36038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.52866	0.2
54.27716	0.2
55.05500	0.5
56.05021	1.4
57.03428	0.5
57.07071	2.9
58.06571	1.3
58.06818	0.2
59.07385	0.5
59.78624	0.2
60.08156	16.8
67.05486	0.6
69.07056	0.8
70.67566	0.2
71.07365	6.3
71.08618	1.9
81.07040	0.7
83.08608	0.5
85.10181	0.9
86.09692	51.6
87.10020	0.4
95.08604	1.1
97.10121	0.3
98.98450	3.8
104.10728	97.5
105.11057	0.8
109.10133	0.5
124.99984	27.1
126.97810	0.2
163.01540	0.8
181.02502	0.2
184.07312	100.0
185.07719	0.9
199.03697	0.3
258.10843	1.1
301.59058	0.2
313.27234	1.8
364.74191	0.2
404.42712	0.2
419.25568	0.3
463.73340	0.2
478.32880	7.3
479.33521	0.3
496.33899	22.7
497.34009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
55.01875	0.3
67.05496	0.6
69.03414	0.7
69.53082	0.3
71.31519	0.4
79.01849	7.1
83.04985	0.7
85.66830	0.3
91.50515	0.4
95.04942	1.5
97.02883	2.4
107.01328	1.9
109.02861	0.9
110.43727	0.4
111.04440	1.4
125.02347	3.9
127.03886	1.1
129.05478	0.8
139.03909	0.6
143.03386	8.9
153.01817	100.0
153.02905	6.8
154.02156	1.5
171.02858	1.3
191.97205	0.4
305.03015	0.5
309.06012	9.7
327.06989	4.5
335.10962	0.5
342.80887	0.4
350.70541	0.5
362.14368	0.4
479.08194	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	497.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
56.88329	0.4
70.13084	0.7
70.13396	0.7
74.91375	0.4
79.01849	5.8
80.06278	0.4
83.04964	0.8
91.14002	0.5
95.04964	1.4
97.02895	2.1
107.01308	1.8
109.02835	0.5
111.04436	1.3
119.37731	0.4
121.30000	0.4
123.04434	0.6
125.02329	3.5
127.03921	1.5
136.16032	0.4
137.05945	0.5
139.03899	0.8
142.03293	0.4
143.03389	6.9
149.19550	0.5
153.01817	100.0
153.02879	5.3
154.02164	1.5
171.02887	1.5
183.99724	0.4
192.35309	0.4
271.06100	0.6
276.55386	0.5
277.54416	0.4
296.77826	0.5
305.02887	1.8
309.06003	8.5
327.07074	3.2
462.28854	0.5
476.00867	0.5
479.08185	1.1
497.16711	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	497.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.4
51.02369	0.9
55.47378	0.3
56.35057	0.3
64.88000	0.3
65.03894	0.3
67.05499	0.6
69.03407	0.5
69.28580	1.0
69.28978	0.6
79.01385	0.4
79.01849	7.2
80.22031	0.3
81.03384	0.4
83.04967	0.8
95.04951	2.1
97.02880	2.5
98.23470	0.7
107.01313	1.9
109.02887	0.7
111.04446	1.8
125.02323	3.6
127.03899	1.1
129.05435	0.7
139.03865	0.7
143.03386	9.5
153.01813	100.0
153.02896	6.5
154.02141	1.3
167.07065	0.4
171.02936	1.6
309.06006	9.5
327.07098	5.0
411.31381	0.3
463.81659	0.4
479.08353	2.6
521.16754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80097	2.5
61.30252	3.3
69.07061	4.3
69.60471	9.9
80.05669	2.6
85.02888	3.6
98.23440	5.3
98.97569	10.4
105.07049	3.6
116.98647	6.8
123.08036	3.5
125.09621	4.4
133.06494	4.8
143.10707	3.6
153.01793	7.7
161.05992	8.2
193.90334	2.8
206.04660	2.9
219.01788	8.8
237.02794	9.5
252.02988	3.2
317.11111	3.4
327.07214	3.2
369.20328	4.0
411.09869	4.9
429.10565	8.0
453.11563	13.3
497.10367	100.0
497.16388	10.8
498.10208	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	497.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55493	0.3
53.03921	0.3
55.01873	0.4
57.03420	0.6
61.02916	0.9
68.99776	0.4
69.03429	1.7
69.32808	0.8
69.33218	0.6
70.06579	0.3
71.05539	0.3
73.02896	0.3
79.01845	0.3
81.03398	0.8
85.02898	4.7
87.04453	0.5
89.03906	0.4
91.03918	0.4
92.70129	0.3
97.02887	2.1
98.97546	0.5
99.04445	0.4
101.02322	0.5
109.02848	0.3
114.23943	0.2
117.03345	0.4
117.71999	0.3
119.03432	0.6
127.03900	1.3
135.04407	6.0
139.03802	0.3
143.03383	1.1
145.02872	0.4
145.04941	0.7
147.04399	0.8
153.01817	6.0
153.02985	0.2
163.03886	4.9
163.05127	0.4
173.02328	2.2
175.03902	1.1
191.03378	7.9
201.01826	1.6
206.04611	0.3
207.02870	0.4
219.02861	100.0
220.03215	2.2
242.10542	0.6
257.04523	0.8
271.10672	0.3
285.03818	1.8
289.11664	0.7
299.10181	0.4
303.04941	2.5
317.11377	2.3
335.12289	0.7
381.08093	3.1
453.13690	0.7
497.12320	4.6
499.74063	0.3
503.95731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
57.03418	1.1
61.02956	0.8
65.03923	1.4
65.31879	0.7
67.05474	3.9
69.03418	4.5
69.07059	60.0
69.63840	2.7
70.07395	1.1
79.05470	1.9
81.03407	4.2
81.07030	5.0
85.02904	7.6
87.04430	0.9
90.07943	0.8
92.05021	1.2
93.05754	1.2
93.07028	1.5
94.06560	2.5
95.04975	2.2
95.52027	0.7
97.02909	4.7
97.03453	1.0
97.06519	11.3
98.23448	0.8
99.08096	0.9
105.07011	1.2
107.08586	1.0
109.02866	1.3
109.06506	1.8
113.68459	0.7
113.74232	0.7
119.03671	1.0
119.08580	1.0
121.05245	1.2
122.06020	7.2
123.15240	0.7
124.07579	2.2
127.03896	1.2
131.07196	0.7
132.07993	0.9
137.05963	2.5
138.05453	4.7
140.07022	6.0
145.04910	1.5
145.08832	2.4
145.10056	0.9
146.09612	4.2
148.03937	1.1
150.05487	67.4
151.05789	1.6
152.03505	1.0
153.01839	4.5
157.08861	1.9
159.10435	1.1
161.08380	4.2
162.09131	3.0
165.04269	1.3
166.04971	19.6
167.16370	0.8
168.06592	1.2
172.11191	3.5
173.08328	1.3
174.09044	1.1
174.12755	6.3
175.09901	1.0
176.03410	4.4
178.05006	1.7
186.07639	1.3
188.10648	1.5
190.08614	0.9
190.12282	7.4
192.03029	0.9
193.12224	1.6
194.04488	2.0
197.10617	0.9
198.09232	1.1
200.10693	6.4
202.12213	5.7
204.06615	1.2
213.10114	1.2
216.10205	3.4
218.08354	1.3
218.11739	19.8
220.88425	0.8
226.08839	1.0
228.10143	13.7
234.11275	2.4
242.10410	1.6
243.11269	1.3
244.09721	1.3
245.12807	1.9
246.11217	16.5
256.09521	1.6
261.12231	1.1
269.09250	1.3
271.10736	5.1
272.09082	3.3
273.12338	3.3
274.10736	3.2
283.73520	0.8
287.10184	6.2
289.11774	8.4
290.10135	1.3
291.13254	1.4
296.20630	1.0
299.10181	5.8
311.52377	0.8
317.11288	29.6
335.12326	100.0
336.12616	5.3
411.16028	1.1
425.26712	1.0
443.27820	3.2
453.17267	4.0
461.29205	0.9
497.19159	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97303	1.0
53.13844	1.1
54.69910	1.1
55.62038	1.0
65.03929	1.6
65.11604	1.0
67.57392	1.3
77.96251	1.1
79.05494	4.1
81.07056	2.1
85.02889	1.3
89.03908	1.2
91.05470	5.8
94.04192	2.5
95.04962	2.4
97.10160	1.2
100.11248	1.7
103.05463	2.0
105.03391	1.5
105.07009	2.1
107.04919	5.4
107.08570	1.6
109.06537	3.0
109.10130	1.2
117.07032	1.5
119.04974	1.2
121.06523	1.8
122.03653	5.7
125.06012	1.2
131.04866	1.5
131.08583	1.8
131.81953	1.2
133.10161	1.2
135.04416	4.0
137.05965	100.0
138.06306	1.7
145.10046	1.5
146.03627	2.2
149.05960	30.7
151.03864	7.0
151.04929	1.1
151.07558	3.6
152.06187	2.7
153.01872	2.8
153.05411	1.7
161.05962	7.4
162.06731	1.0
163.03885	1.3
163.07536	2.9
165.05615	1.2
165.06981	3.8
167.06972	3.3
168.05675	1.7
169.06445	2.0
175.07547	2.5
177.05455	40.4
180.05679	4.8
181.06467	1.8
183.08038	1.9
187.07561	2.2
189.09158	2.2
191.04919	1.9
195.08005	1.6
197.05971	2.8
198.06769	1.2
201.05371	1.5
205.06482	2.0
206.07199	1.7
208.05217	7.3
209.05824	1.7
210.06821	1.5
211.07533	5.0
212.08223	3.1
221.05966	2.4
222.06734	2.0
223.07512	4.0
225.05383	5.5
227.06966	1.7
228.02559	1.3
231.13809	4.4
234.06671	2.4
236.04678	3.1
237.05560	1.6
237.09081	1.3
239.06998	2.8
240.07785	7.4
241.08310	1.3
249.09125	3.0
249.14795	1.3
250.06404	1.1
251.06993	6.3
253.04999	2.3
253.08669	1.6
255.10101	1.6
259.09601	1.6
262.06296	2.6
264.07742	1.4
265.08545	2.5
268.07303	7.5
271.09650	4.1
273.11179	1.5
277.08658	10.8
279.06534	3.3
281.08179	1.2
283.09659	10.7
284.10220	1.8
285.11179	2.2
293.07932	1.3
295.09607	1.3
297.11179	3.7
298.09958	1.4
299.09140	7.5
307.09772	1.4
309.11588	1.5
311.09097	23.1
312.09543	1.7
313.10681	2.6
315.08533	7.2
329.10165	8.8
341.11853	1.6
343.11847	1.5
358.11591	1.4
368.10364	1.4
369.11240	3.3
373.14240	2.9
386.11343	1.6
389.13785	1.3
401.13821	7.4
411.12579	1.9
421.16254	4.4
431.14960	1.9
433.16428	39.3
434.16541	2.3
443.14700	1.6
449.16092	6.2
451.17523	2.3
461.15778	2.6
479.16925	3.5
497.13934	2.3
497.26917	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	497.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
55.01883	0.8
58.00834	0.5
65.03940	0.8
67.05506	1.4
69.03436	0.9
79.01849	6.1
79.02564	0.5
79.05476	1.5
81.03407	1.2
81.07040	1.4
83.04933	0.6
83.36833	0.5
85.02888	0.7
91.05447	3.2
93.07038	1.7
94.04152	0.8
95.04979	1.1
95.08605	1.1
97.02878	1.7
103.05460	14.6
105.07027	1.3
107.01315	1.9
107.04933	1.1
107.08587	1.3
109.02884	0.9
109.06514	1.0
115.05461	1.8
117.07012	2.0
119.08545	1.2
121.06503	1.4
121.10183	0.7
122.03627	1.9
125.02324	3.6
127.03923	0.6
128.06241	3.2
131.04922	24.8
131.08554	1.0
132.16234	0.7
133.10162	0.8
137.05962	15.9
143.03378	7.2
143.08559	3.8
147.08206	0.6
149.09630	1.0
151.07549	1.8
153.01816	100.0
153.02887	5.3
154.02155	2.2
160.05205	0.8
162.06700	0.6
163.07530	56.6
164.07831	1.4
171.08061	5.9
175.07555	8.1
177.09068	6.9
195.10056	0.8
203.10637	4.0
220.14117	0.8
221.11723	0.9
226.24237	0.6
261.52740	0.5
297.07785	0.6
313.11990	0.6
329.10464	0.8
373.13101	4.0
479.16797	1.5
497.27740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97303	1.0
53.13844	1.1
54.69910	1.1
55.62038	1.0
65.03929	1.6
65.11604	1.0
67.57392	1.3
77.96251	1.1
79.05494	4.1
81.07056	2.1
85.02889	1.3
89.03908	1.2
91.05470	5.8
94.04192	2.5
95.04962	2.4
97.10160	1.2
100.11248	1.7
103.05463	2.0
105.03391	1.5
105.07009	2.1
107.04919	5.4
107.08570	1.6
109.06537	3.0
109.10130	1.2
117.07032	1.5
119.04974	1.2
121.06523	1.8
122.03653	5.7
125.06012	1.2
131.04866	1.5
131.08583	1.8
131.81953	1.2
133.10161	1.2
135.04416	4.0
137.05965	100.0
138.06306	1.7
145.10046	1.5
146.03627	2.2
149.05960	30.7
151.03864	7.0
151.04929	1.1
151.07558	3.6
152.06187	2.7
153.01872	2.8
153.05411	1.7
161.05962	7.4
162.06731	1.0
163.03885	1.3
163.07536	2.9
165.05615	1.2
165.06981	3.8
167.06972	3.3
168.05675	1.7
169.06445	2.0
175.07547	2.5
177.05455	40.4
180.05679	4.8
181.06467	1.8
183.08038	1.9
187.07561	2.2
189.09158	2.2
191.04919	1.9
195.08005	1.6
197.05971	2.8
198.06769	1.2
201.05371	1.5
205.06482	2.0
206.07199	1.7
208.05217	7.3
209.05824	1.7
210.06821	1.5
211.07533	5.0
212.08223	3.1
221.05966	2.4
222.06734	2.0
223.07512	4.0
225.05383	5.5
227.06966	1.7
228.02559	1.3
231.13809	4.4
234.06671	2.4
236.04678	3.1
237.05560	1.6
237.09081	1.3
239.06998	2.8
240.07785	7.4
241.08310	1.3
249.09125	3.0
249.14795	1.3
250.06404	1.1
251.06993	6.3
253.04999	2.3
253.08669	1.6
255.10101	1.6
259.09601	1.6
262.06296	2.6
264.07742	1.4
265.08545	2.5
268.07303	7.5
271.09650	4.1
273.11179	1.5
277.08658	10.8
279.06534	3.3
281.08179	1.2
283.09659	10.7
284.10220	1.8
285.11179	2.2
293.07932	1.3
295.09607	1.3
297.11179	3.7
298.09958	1.4
299.09140	7.5
307.09772	1.4
309.11588	1.5
311.09097	23.1
312.09543	1.7
313.10681	2.6
315.08533	7.2
329.10165	8.8
341.11853	1.6
343.11847	1.5
358.11591	1.4
368.10364	1.4
369.11240	3.3
373.14240	2.9
386.11343	1.6
389.13785	1.3
401.13821	7.4
411.12579	1.9
421.16254	4.4
431.14960	1.9
433.16428	39.3
434.16541	2.3
443.14700	1.6
449.16092	6.2
451.17523	2.3
461.15778	2.6
479.16925	3.5
497.13934	2.3
497.26917	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	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.8
55.24395	4.0
56.00033	3.7
57.07061	21.7
59.04989	12.9
59.21278	4.2
60.50876	4.4
67.05495	54.6
69.03407	4.9
69.07061	30.0
69.58798	17.2
79.05490	26.7
81.07056	51.4
83.04987	24.4
85.06534	57.5
91.05476	25.2
93.07024	29.8
95.04975	38.6
95.08595	36.2
97.06515	61.4
99.08097	16.1
105.07039	27.8
107.08588	30.6
109.06523	21.7
109.10176	11.9
111.08102	10.8
115.07567	7.0
117.07018	11.2
118.60535	4.2
119.08573	27.8
121.06487	14.7
121.10144	14.3
123.08057	57.6
125.09621	10.8
128.06187	9.9
129.06995	4.7
131.08607	25.9
133.10094	27.7
135.08038	15.2
135.11713	8.9
137.05946	10.3
137.09605	8.6
139.07628	4.3
141.09094	13.0
142.07851	5.2
143.08540	18.9
145.06485	8.1
145.10091	33.8
147.08047	14.0
147.11655	10.7
149.05995	4.4
149.09590	21.4
151.11145	6.5
153.01808	22.9
155.08517	8.5
157.10136	18.7
159.08057	15.4
159.11693	17.8
161.09613	20.1
161.13367	4.8
163.11165	25.2
169.10132	13.8
171.08098	11.2
171.11656	18.5
173.09630	44.2
173.13248	10.6
175.11215	7.5
177.12776	5.9
179.89857	4.5
181.10114	11.0
181.12166	4.8
183.11696	12.2
185.09503	6.6
185.13203	7.9
187.11201	18.9
189.09128	7.1
189.12706	6.2
191.10635	23.3
195.11714	9.8
197.09544	7.3
199.11147	12.9
201.12706	6.2
203.14288	8.4
205.12248	7.6
207.11794	5.8
209.13283	9.5
211.11066	8.8
213.12831	13.4
215.14307	10.7
219.13704	4.8
223.11292	6.9
225.12741	7.6
231.13834	18.5
233.15437	10.1
239.14301	5.5
241.12314	7.6
241.15823	5.8
249.14734	26.6
253.15891	7.0
255.17163	6.7
261.46707	4.3
265.15891	9.6
267.17480	13.8
283.16934	18.6
285.18524	12.2
293.18866	6.8
301.17853	11.9
303.19537	15.5
311.20041	10.6
319.19055	7.6
323.20062	18.3
327.19504	10.8
329.21161	19.1
341.21115	45.1
343.22531	5.1
345.20566	14.5
347.22180	21.1
351.19479	9.5
359.22116	100.0
363.21701	12.6
369.20538	16.4
377.23068	45.2
385.23615	26.2
387.21454	29.1
389.24686	6.2
401.64011	4.7
405.22626	9.7
407.25806	17.1
425.26645	40.7
443.27890	89.1
461.28915	14.9
479.30133	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	497.3106
Annotation	Achyranthesterone A
Peak:m/z	Relative Intensity
50.76778	3.6
55.01871	4.6
55.05510	6.0
57.03424	8.8
57.07074	9.6
65.03949	5.2
67.05501	42.0
67.57928	2.8
69.07060	30.3
69.67034	3.1
69.67362	11.6
70.33924	2.8
71.04971	14.5
79.05488	17.5
81.07044	31.0
83.04980	5.0
85.06534	63.2
91.05473	18.7
93.07038	31.8
95.04963	19.1
95.08601	38.4
97.06524	16.6
105.07024	30.3
107.04937	3.5
107.08578	30.4
109.06529	11.3
109.10169	6.0
111.08017	5.0
113.05986	31.7
115.07561	10.0
116.08078	2.6
117.06992	8.3
119.04925	3.9
119.08568	18.6
121.06507	15.4
121.10164	12.2
123.08056	50.4
125.09617	6.9
128.06186	5.6
129.06990	9.0
131.08560	27.4
133.06467	3.4
133.10121	20.3
135.08006	14.1
135.11711	8.0
137.05931	5.7
137.09637	10.2
139.07518	3.3
141.06987	3.5
141.09084	19.1
143.08551	15.4
143.10677	3.6
145.06505	3.0
145.10109	41.0
147.08041	12.8
147.11673	15.2
148.83635	2.8
149.09595	10.7
153.01836	8.6
155.08521	10.1
157.10072	15.5
159.08035	9.3
159.10526	3.0
159.11687	19.5
161.09615	13.3
161.13181	5.5
163.11176	14.9
169.10153	9.5
171.08003	17.2
171.11678	5.8
172.08621	3.2
173.09598	40.4
173.13251	13.2
175.11176	10.8
175.14857	5.2
177.12814	3.5
181.10118	7.1
181.12259	12.9
183.11694	8.3
185.09596	6.5
185.13243	6.4
187.11232	17.4
189.09099	9.2
191.10683	12.8
192.09381	3.3
193.12184	6.8
195.11911	4.6
195.13803	24.3
197.13249	8.3
199.11188	7.5
201.12746	6.6
205.12233	6.9
209.13350	4.7
211.11211	6.1
213.12721	11.1
215.14374	10.0
219.13832	9.4
221.13330	4.5
225.12715	7.6
227.14351	4.8
229.12224	3.1
231.13812	18.2
237.16367	4.8
239.14267	6.9
241.15860	2.9
243.13759	4.4
249.14848	32.1
255.17517	8.6
265.15866	16.2
283.16879	22.1
285.18341	3.8
293.18829	5.1
295.20532	8.3
301.18024	13.7
303.19562	9.9
311.20041	10.1
313.21585	12.5
319.18976	6.0
329.21136	8.4
331.22778	13.5
339.19406	5.4
347.22205	8.5
355.22650	3.3
357.20627	5.6
367.22647	6.2
371.22137	71.0
373.23532	7.5
385.23734	21.0
389.24866	7.4
407.25851	24.7
425.26816	40.5
426.26712	4.0
443.27887	100.0
444.28073	5.4
461.29041	30.8
497.16257	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	497.3102
Annotation	Polypodine B
Peak:m/z	Relative Intensity
55.05505	10.9
59.88600	3.3
60.58202	3.1
66.96157	3.1
67.05506	9.4
67.07809	2.9
69.03414	6.0
69.06705	6.4
69.07061	82.9
69.50354	14.0
70.76922	2.8
71.04992	3.4
77.03888	3.5
79.05476	21.7
81.07047	100.0
83.04978	6.8
85.06537	3.5
91.05471	15.8
93.07055	21.0
95.04963	36.3
95.08599	13.4
97.06525	30.3
97.10172	5.5
98.22647	5.6
99.04416	4.7
99.08088	30.5
102.18096	2.7
105.07013	19.5
107.04944	6.5
107.08580	55.3
109.06499	11.3
109.10149	13.8
112.10235	3.0
117.06996	6.1
119.08554	16.5
121.06499	12.3
121.10144	11.1
123.08051	14.9
125.09617	80.4
127.11162	11.1
128.06198	5.7
129.06996	5.8
131.08569	19.1
133.10112	13.9
135.04419	6.3
135.08011	7.0
135.11682	5.5
137.05937	5.6
138.47359	2.9
142.07750	3.4
143.08594	16.5
143.10652	35.1
145.06482	8.3
145.10097	13.4
147.08058	16.6
147.11729	6.7
149.09653	6.3
149.13245	4.8
151.07567	4.3
155.08546	10.1
156.16594	2.8
157.10135	13.7
159.08035	13.1
159.11671	8.8
161.09616	17.1
161.13297	3.5
163.11314	3.1
165.12758	22.6
167.08543	5.9
169.10120	10.6
171.08049	27.9
171.11711	9.2
173.09641	14.2
173.13246	4.3
175.11214	4.7
179.08632	4.6
181.10098	9.6
183.11682	11.1
185.09621	6.8
185.13284	3.5
187.11174	8.2
189.09068	29.4
189.12770	6.0
193.10181	3.6
195.11711	11.1
197.09663	7.6
197.13258	5.8
199.11208	14.3
199.14754	4.2
201.09155	4.2
201.12759	14.2
203.10675	5.6
205.12129	4.2
207.10065	7.2
207.11797	4.6
209.13208	5.5
211.11209	6.4
211.14848	5.2
213.12737	11.3
215.10793	5.2
217.12289	5.9
218.49255	3.7
221.13254	10.2
223.11179	6.5
223.14833	8.6
225.09375	3.2
225.12692	7.5
227.14290	7.2
229.12236	11.3
229.15858	3.9
231.13765	9.3
235.14851	6.6
237.16386	3.7
239.14278	8.8
241.12086	3.8
251.14371	4.3
253.15829	7.3
255.13753	4.4
257.15329	5.4
263.14346	6.9
265.14026	4.1
265.16199	4.0
268.02762	3.2
269.15353	22.6
269.18832	4.4
271.16794	3.8
281.15353	23.4
283.16855	23.8
291.17450	4.6
293.18988	6.2
299.16409	10.8
301.15018	3.7
301.17990	16.7
305.18735	4.5
309.18515	11.2
311.16666	4.0
311.20053	11.9
317.17377	5.3
319.19052	5.8
325.21585	15.3
327.19406	8.0
333.18396	5.3
335.18707	5.5
343.22711	15.1
347.23425	3.9
351.19485	38.8
355.18411	3.2
356.53922	3.0
363.21597	6.3
367.22604	6.8
369.20551	35.3
383.25650	6.4
385.23874	3.5
387.21683	16.2
389.24741	11.5
407.25760	41.7
425.26801	66.4
425.32187	5.9
426.26993	7.7
443.27875	58.9
461.28806	28.1
462.28958	4.0
479.29898	9.5
497.31067	86.2
498.31342	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	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
54.90152	1.7
55.05512	2.0
57.07071	2.3
59.44812	1.8
67.05521	8.7
69.07059	4.1
69.09060	3.8
69.09448	7.9
71.04987	12.0
76.76308	1.7
79.05510	8.4
80.30076	1.6
81.07056	9.5
81.45017	1.6
85.06536	2.0
91.05476	8.8
93.07034	13.6
95.04969	5.3
95.08589	11.4
97.06532	8.3
98.22697	3.1
105.07008	16.2
107.04980	2.6
107.08585	15.1
107.29066	1.6
109.06508	8.3
109.10138	4.0
111.08051	1.8
113.05988	22.5
117.07027	4.1
118.84363	1.6
119.08591	7.8
121.06517	6.3
121.10146	5.2
123.08053	45.8
123.08893	2.9
125.09624	6.3
128.06216	2.4
129.06999	3.0
130.07776	2.8
131.08559	13.8
133.06511	2.1
133.10106	7.7
135.08066	5.7
135.11694	2.5
137.05919	3.5
137.09636	2.5
141.06981	2.7
141.09103	9.8
143.08476	8.8
145.06480	3.4
145.10112	22.1
147.08028	7.6
147.11696	3.2
149.09628	4.8
153.07083	2.1
155.08516	5.2
157.10098	5.7
158.07253	3.0
159.08049	5.0
159.10309	3.2
159.11687	9.9
161.09604	7.0
161.13240	2.0
163.11154	23.7
169.10118	6.1
171.08063	7.1
171.11607	3.2
173.09612	22.3
173.13251	7.6
175.11234	3.4
177.12665	3.4
181.10097	3.1
183.11736	4.8
185.09438	2.0
185.13164	3.3
187.11122	11.9
189.09055	2.4
191.10638	8.4
193.12309	5.6
195.11838	3.0
195.13782	11.7
197.13243	4.3
199.14838	3.4
201.12772	5.3
211.11218	4.0
213.12778	5.4
215.14258	6.2
217.18454	1.7
219.13742	2.7
223.10945	1.7
225.12718	4.8
225.16368	1.8
229.12248	3.2
231.13799	7.6
235.14793	2.7
237.16438	3.9
249.14790	15.1
255.17580	3.8
265.15802	8.0
283.16937	5.7
285.18619	2.6
293.18994	4.3
295.20535	6.2
299.16483	2.2
301.18042	4.4
303.19604	3.0
311.19989	7.3
313.21646	5.2
321.18433	4.8
329.21094	6.0
331.22821	2.0
337.21762	2.3
339.19470	8.8
353.21048	2.2
355.22592	3.2
357.20596	5.0
371.22144	100.0
372.22543	5.8
373.23413	2.2
389.24301	2.0
407.25864	8.3
425.26852	25.4
443.27878	70.5
444.28235	5.8
461.28854	6.0
497.19354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
55.01865	6.9
55.05513	29.3
57.03432	29.5
57.07081	4.2
57.11406	2.8
61.02924	58.4
65.03946	5.4
67.05159	6.9
67.05502	100.0
69.03428	44.9
69.07070	22.4
71.01346	8.2
71.04984	10.1
73.02919	24.6
75.04484	4.0
79.05487	63.0
81.03413	27.5
81.07050	87.0
83.04992	7.4
83.08616	11.5
85.02900	53.7
87.04465	3.6
91.03954	32.0
91.05478	52.0
93.07040	65.7
95.04977	19.3
95.08598	69.6
97.02889	45.7
97.06512	7.1
97.10216	4.0
99.04460	10.5
99.08084	3.9
101.02381	11.1
103.03928	10.0
105.04523	4.7
105.07020	28.4
107.04939	4.2
107.08589	36.5
109.02870	12.3
109.10160	32.5
115.03904	5.3
117.07013	14.5
119.08582	30.0
121.10136	35.1
123.08074	3.9
123.11715	10.4
127.03919	18.2
128.06261	4.4
129.05458	4.2
129.07008	8.9
131.08563	19.6
133.10124	24.0
135.08026	5.6
135.11653	19.5
143.08549	5.1
145.04941	9.1
145.10106	15.8
147.07990	4.2
147.11681	16.8
149.09616	3.7
149.13232	10.6
151.11107	4.0
157.10167	4.9
159.06583	3.3
159.08055	3.5
159.11641	12.7
161.09683	3.3
161.13232	9.9
163.11188	4.7
163.14807	4.8
171.11644	9.1
173.13312	9.8
175.11212	5.1
175.14769	4.6
181.96231	3.6
183.06593	4.9
183.11653	3.9
185.13351	5.8
187.14819	8.6
197.13297	3.4
199.14810	4.8
243.21019	5.2
261.22086	20.2
301.18231	3.6
303.23026	4.8
335.25833	55.3
345.24191	5.2
382.28802	3.7
384.20557	4.0
387.25281	3.8
438.47421	3.7
442.80511	3.4
443.27298	4.2
479.29779	8.5
497.30734	15.3
510.36136	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	497.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.4
55.05500	11.5
67.05498	13.5
69.03408	4.3
69.06712	5.9
69.07065	70.5
71.04987	4.9
71.28665	3.9
74.35407	3.2
79.05492	25.2
81.07054	100.0
83.04976	3.6
85.02896	3.3
85.06532	5.9
91.05476	23.7
93.07040	24.3
95.04956	8.2
95.08596	19.3
97.06519	25.1
97.10159	9.0
99.08086	34.7
105.03362	3.7
105.07024	25.8
107.04932	6.6
107.08588	46.6
109.06500	14.6
109.10125	5.3
117.07018	7.6
119.08585	12.6
121.06488	10.2
121.10117	8.8
121.55762	3.2
123.08054	38.5
123.11671	8.0
125.09625	83.8
127.11178	3.9
128.06232	7.9
129.07011	14.4
131.08546	22.3
133.06490	11.0
133.10130	12.4
135.08047	6.5
135.11687	9.1
137.05951	4.4
141.07001	9.7
142.07773	4.0
143.08569	21.3
143.10667	39.1
145.06468	15.3
145.10153	8.5
147.08020	11.6
149.13301	5.6
153.01793	15.8
155.08524	12.1
157.06477	9.7
157.10123	13.1
159.08069	16.0
159.11688	10.2
161.06009	4.5
161.09613	11.3
165.06953	4.4
165.12822	5.2
167.08563	11.5
169.10144	10.2
171.08052	23.3
171.11685	4.6
173.09668	9.7
173.13216	4.5
175.07542	9.6
175.11169	3.7
177.12733	3.8
178.80092	3.5
179.08511	7.2
181.10078	9.3
183.08095	4.5
183.11711	9.1
185.09637	12.2
185.13280	3.8
189.09079	16.8
193.10146	5.1
197.09612	7.3
199.11183	7.8
201.09058	6.2
203.10715	7.7
207.10092	8.1
208.25722	3.7
211.11191	7.9
211.14803	4.2
213.12665	7.7
215.10692	4.5
215.48239	4.0
221.13354	3.9
223.11165	5.6
225.12729	3.8
227.10681	4.4
229.12218	8.4
235.11098	4.6
235.14813	5.9
237.12688	5.9
237.16396	4.9
239.14348	4.1
245.11543	4.6
247.13264	10.9
248.12018	3.5
251.14217	7.1
253.15822	5.6
255.17714	3.4
263.14264	4.8
265.15967	5.5
269.15457	5.9
276.15207	4.1
279.17252	7.1
281.15314	14.3
281.18539	3.5
283.16922	15.5
289.71655	3.3
291.17358	5.2
293.18954	5.3
299.16324	11.5
301.18018	45.9
309.18643	5.9
311.19974	8.1
319.19040	23.6
327.19452	10.6
329.21051	9.6
339.19360	5.5
345.20584	13.8
351.19461	10.1
357.20724	4.1
369.16101	6.1
369.20581	74.3
377.24878	3.6
387.21744	30.5
389.24710	4.8
407.25720	18.2
425.26819	54.2
426.27017	6.3
443.27899	55.3
444.28238	4.9
453.12015	4.9
461.28519	4.0
479.29669	8.2
497.09689	21.6
497.17188	21.1
497.30817	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24775	1.8
53.03936	5.1
55.01865	8.7
55.05508	26.8
57.03434	30.2
57.07073	2.9
59.04985	1.9
63.04267	2.0
67.05502	59.7
67.83158	2.4
69.07068	18.6
71.01359	3.3
71.04983	9.3
71.41891	2.7
73.14955	2.4
74.79478	2.2
79.05491	62.5
79.05949	3.4
81.03417	15.4
81.07053	37.3
83.01337	7.9
83.04974	19.2
83.08617	12.1
85.02895	2.5
85.06526	4.9
91.05471	26.2
93.07040	70.1
94.07384	2.6
95.04971	11.6
95.08611	13.2
97.06530	15.5
97.10155	10.3
99.04456	5.2
99.08107	2.2
105.07021	12.0
106.47875	2.2
107.04965	10.5
107.08588	43.5
109.06554	6.2
109.10155	7.3
111.04443	2.5
111.08088	4.9
117.07003	10.8
119.08596	13.4
120.96633	9.4
121.06530	4.1
121.10143	13.8
123.08062	8.8
125.09631	3.9
131.08537	4.6
133.10124	4.6
135.08011	3.1
135.11676	58.5
135.12643	4.1
145.10115	22.9
153.12704	3.9
163.11172	31.1
164.00838	6.6
173.09592	3.4
181.12204	23.2
191.10683	2.6
199.13332	3.0
201.31441	2.2
209.11655	11.6
227.12814	6.9
255.15903	98.4
283.15384	81.0
301.76501	2.0
319.03482	2.1
455.21573	6.0
463.26825	100.0
464.27222	3.7
498.25647	2.6
498.37079	2.7
499.33771	3.6
507.06979	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	498.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01850	1.5
55.05507	10.3
57.03436	15.0
57.07074	2.0
58.06595	32.2
59.07380	10.0
60.08151	10.2
65.03943	2.9
67.05497	38.8
69.07062	15.3
71.04972	2.0
71.08663	1.2
74.80590	1.3
75.04454	3.2
79.05486	20.1
81.07047	45.8
83.04993	4.3
83.08623	7.4
85.02896	2.9
85.06533	2.6
87.04456	7.3
91.05490	8.8
93.07038	30.0
95.04980	3.7
95.08598	12.7
97.06516	5.0
98.23468	4.0
99.08096	2.2
105.04497	1.6
105.07027	1.7
107.08573	16.1
111.08054	3.5
113.05970	1.5
117.07009	4.1
121.10107	7.7
123.11702	2.1
131.07051	2.0
131.08585	3.5
133.10129	4.7
135.11694	3.7
144.10178	5.2
147.11748	1.2
149.13228	19.5
159.11674	7.5
161.74254	1.3
162.11230	4.9
177.12752	3.0
184.69012	1.3
195.13792	8.8
213.14854	2.1
228.98257	1.3
236.14896	100.0
237.15202	1.4
269.17444	53.1
437.19962	1.9
463.30496	53.4
464.30508	2.1
480.36813	23.4
498.37830	72.8
499.38644	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	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.7
55.05501	2.4
55.99035	0.4
57.03431	7.0
57.07059	0.9
58.06594	27.4
59.07376	9.2
60.08159	9.4
67.05499	9.3
69.07059	4.0
69.86140	0.4
71.04987	0.5
73.02876	1.4
75.04469	3.9
79.05128	0.5
79.05489	5.1
79.98994	0.4
81.03387	0.9
81.07052	10.6
83.04958	0.7
83.08617	2.1
84.08112	0.7
85.02898	2.7
87.04459	5.2
89.05987	0.5
91.05466	2.7
93.07026	5.2
94.63860	0.4
95.04938	1.3
95.08598	4.4
97.06492	1.0
103.03911	1.0
105.05482	1.3
105.06994	1.3
106.44910	0.4
107.08593	2.9
109.10131	1.5
111.08064	0.9
117.06973	0.6
118.76047	0.4
120.47676	0.4
121.10126	2.1
123.11695	0.4
131.07033	2.2
131.08551	0.8
133.08546	0.6
133.10094	1.2
135.11684	1.0
144.10196	7.9
149.13213	2.4
152.34073	0.4
159.11667	0.6
162.11255	4.1
177.12692	0.5
195.13846	1.1
218.13889	0.8
225.78888	0.5
236.14900	100.0
237.15195	1.7
269.17441	7.5
463.30527	8.4
480.36792	20.8
481.37241	1.1
498.37839	68.7
499.38281	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
57.07072	42.2
69.07067	2.7
69.30458	8.8
71.08625	24.0
73.06549	6.8
83.08625	3.0
85.10175	23.9
87.04475	2.7
88.03931	1.5
88.07732	1.6
89.06024	100.0
97.10170	3.0
97.51620	1.3
98.22929	6.5
99.11745	3.6
107.07066	3.3
117.09112	4.3
133.08594	54.8
155.17989	4.7
165.80925	1.5
177.11209	24.5
199.20605	5.3
221.13902	2.5
239.14946	3.3
243.23160	9.5
253.21263	1.6
283.17499	2.2
287.25711	5.0
327.20123	10.2
331.27017	1.5
367.96109	1.7
481.37292	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	498.977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58701	0.5
56.96549	3.0
69.82705	1.8
98.23360	1.1
98.68548	0.5
98.97568	19.4
106.36088	0.7
116.98611	11.6
130.93246	3.9
134.99652	3.4
148.94344	1.4
172.94336	12.4
174.97670	2.2
175.18913	0.6
188.92418	0.9
190.95380	11.0
192.98734	1.6
205.81075	0.5
206.93369	2.3
208.96404	4.0
214.95428	6.8
216.98665	2.5
224.94397	1.0
230.93344	15.5
232.96454	26.2
234.99692	3.6
248.94423	16.4
248.97067	0.7
250.97548	16.0
256.96600	11.3
257.96677	0.9
258.99832	1.7
260.00192	0.7
266.95520	4.8
272.94406	21.1
274.97614	32.5
275.97766	3.0
276.97891	0.6
277.00836	1.4
280.96680	1.1
282.99985	0.9
284.99799	0.7
290.95477	33.1
291.95602	1.7
292.98572	9.5
296.94504	1.4
298.97708	17.6
299.97903	1.0
300.97583	0.5
301.00909	1.5
302.01324	0.8
306.93585	1.3
308.96518	6.6
314.95432	29.3
315.95615	1.2
316.95020	1.1
316.98752	25.4
317.98898	2.8
330.93454	3.3
332.96500	45.4
333.96768	2.5
340.98895	1.0
348.94437	4.9
350.97571	3.1
354.93655	1.2
355.97815	0.8
356.96512	7.0
358.99811	2.0
372.94583	7.1
373.95001	0.7
374.97546	15.4
375.97678	1.2
390.95526	13.2
391.95920	1.1
392.98572	2.3
396.94949	1.3
408.96387	0.8
414.95590	9.7
415.95920	0.9
432.96658	19.0
433.02643	1.0
433.96689	1.0
438.95416	5.5
450.97754	1.2
456.96597	100.0
457.96750	10.6
459.00073	0.8
474.97620	36.7
475.97931	3.7
492.98260	1.3
497.99408	1.5
498.97476	5.0
499.97125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13627	1.9
56.96553	37.8
56.96803	3.6
60.94489	2.3
63.30534	2.4
65.79311	2.4
69.03416	7.1
69.77360	7.2
81.03403	2.6
84.96025	10.1
85.02903	3.7
87.39951	2.4
98.97570	96.8
99.04440	3.1
101.16283	2.3
102.37032	2.3
110.97559	33.6
112.99131	3.6
116.98611	42.5
119.01881	3.7
124.99150	4.2
128.98593	35.7
128.99492	3.0
129.02469	2.3
131.00188	2.8
131.01932	2.3
134.99658	8.5
140.98613	16.7
143.00148	16.7
145.03487	5.9
146.78058	2.5
146.99635	17.9
152.98555	4.1
153.01854	5.3
155.01913	4.7
156.98058	19.8
156.99074	2.1
157.01810	2.5
157.03506	2.9
158.99640	40.9
161.01201	19.3
161.02428	2.2
161.02837	1.8
163.03891	6.7
170.99637	31.2
173.01407	3.2
173.02910	5.2
174.99130	100.0
175.02829	7.7
177.00719	27.6
179.02217	3.1
182.99631	15.7
185.02864	3.5
189.00690	32.5
193.00175	93.5
199.02682	2.4
201.00682	68.0
207.01691	2.8
211.01212	5.7
213.00731	6.4
217.00195	53.7
217.03590	11.4
219.01701	66.4
229.00127	3.2
231.01613	4.3
235.01199	21.6
235.04799	3.2
237.00635	3.7
237.02765	44.9
243.01730	20.5
245.05061	7.6
246.05159	2.6
247.01047	12.7
249.02769	4.7
255.03853	8.2
259.02353	5.8
261.02789	78.0
265.02304	3.5
273.02789	8.7
277.03488	36.3
279.03885	47.3
291.03912	17.6
301.02332	7.2
303.01166	5.4
319.03391	38.1
319.06927	5.9
321.04868	47.6
333.04840	4.4
337.04352	46.1
337.08093	8.2
338.04419	3.5
351.05984	11.9
354.97156	2.8
361.04608	3.3
363.62872	2.5
379.00980	3.6
379.04922	4.4
379.09079	6.4
381.07178	13.2
388.93747	2.6
399.08142	14.6
401.78342	2.5
481.08588	23.3
482.08615	2.9
499.09283	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42788	1.3
69.03417	2.0
70.04069	8.9
71.22371	2.3
78.90257	1.2
79.05481	1.7
81.03414	2.3
81.07027	1.8
85.02905	3.5
86.14169	1.3
98.97556	2.7
116.98616	1.6
127.03999	2.0
128.98581	1.6
153.01820	17.0
153.02919	2.2
186.12360	13.1
219.01761	2.8
237.02776	4.5
287.07858	1.9
321.07526	1.7
337.20038	2.9
379.08090	1.6
413.11163	5.4
455.13177	16.1
481.11172	3.4
499.11951	100.0
499.17953	19.8
500.11996	3.7
500.19077	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38651	10.7
69.55497	50.2
98.23224	32.8
103.05434	63.9
105.07008	12.8
116.35405	13.7
131.04910	100.0
135.87886	11.5
161.05940	31.1
163.07587	36.9
227.63622	11.4
349.79892	12.9
431.65793	12.0
499.28799	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
62.82546	0.4
66.19653	0.3
67.05497	0.4
69.03415	1.6
70.34560	0.7
70.34879	0.6
81.03410	0.6
81.04533	1.3
81.07037	1.1
83.04950	0.5
85.02880	2.0
85.06551	0.4
91.05468	0.4
91.89867	0.5
93.07023	1.2
95.08590	0.6
97.02885	1.1
97.06551	0.5
98.22784	0.6
99.04417	0.7
105.07063	0.4
107.08594	0.5
109.02844	0.5
111.04424	0.4
126.09164	1.1
127.03858	0.7
127.05002	0.5
130.04967	0.7
137.02306	0.5
145.10095	0.5
153.01801	3.1
157.09982	0.6
166.05028	1.4
171.11673	0.6
175.03696	1.2
182.57831	0.4
194.04408	0.7
203.05284	0.6
217.16106	0.4
224.15285	0.4
253.08238	0.5
255.17516	0.6
259.07861	1.7
271.09082	0.7
271.11896	0.7
283.16949	0.5
301.11945	1.0
301.17990	0.7
319.12906	0.6
319.19269	1.1
321.20715	1.1
337.09030	0.9
337.20041	6.2
347.09451	12.0
386.43295	0.5
455.12247	0.4
486.88846	0.5
499.14090	100.0
500.14478	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	499.1937
Annotation	Interiotherin B
Peak:m/z	Relative Intensity
54.31870	1.7
55.05498	5.8
57.03431	2.5
67.05501	8.4
69.03411	4.2
69.07050	3.4
79.05478	4.8
81.03389	7.3
81.07059	9.8
83.04986	3.7
83.08603	3.9
85.02889	2.4
91.05466	9.5
93.07053	8.6
95.04921	4.7
95.08591	5.4
97.06522	2.3
105.07029	9.3
107.08569	8.0
109.06493	3.1
109.10138	7.9
111.08087	2.4
119.08583	8.4
120.99115	1.7
121.06495	1.8
121.10123	4.2
122.09645	1.9
123.36678	1.7
131.08582	2.5
133.10098	10.4
145.04977	2.5
147.11647	2.8
149.09595	4.0
151.11198	4.0
153.80585	1.7
156.09265	1.9
159.11681	2.5
161.09688	2.2
175.11195	2.1
179.10718	3.0
193.12146	3.8
211.13283	5.3
215.12694	2.7
222.91663	1.7
229.24396	2.1
271.15283	2.7
285.17117	2.0
389.29102	1.8
482.53598	1.8
499.19162	100.0
499.25476	18.3
500.19272	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	499.2146
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
55.01869	0.3
55.05503	0.7
61.13508	0.3
67.05506	0.8
69.03436	0.4
69.07058	0.7
69.99589	1.0
76.97724	0.3
81.03401	0.9
81.07055	1.0
83.04939	0.5
85.02936	0.5
85.06528	0.7
91.05486	0.6
93.07038	0.7
94.41199	0.3
95.04933	0.5
95.08590	1.2
97.02889	0.5
97.90485	0.4
99.04468	0.5
105.07024	0.8
106.07461	0.3
107.08568	0.9
109.02921	0.4
109.10150	1.0
119.08600	0.6
122.03654	0.5
127.03870	0.7
137.05962	2.6
145.10158	0.5
153.01813	4.7
153.02931	0.6
154.02153	1.4
159.11699	0.3
171.02858	0.6
185.04167	0.5
197.09787	0.4
203.03378	0.4
203.05272	0.6
227.05246	1.1
229.03384	0.4
245.06293	2.7
251.16101	1.0
271.04306	1.3
271.09680	1.2
287.03537	0.5
289.05292	8.9
293.15927	0.4
295.06226	0.4
304.92111	0.3
321.07611	1.3
322.08286	0.5
349.07047	1.1
351.08478	0.6
372.22531	0.4
379.08051	1.5
413.21317	3.3
437.21579	1.4
444.27917	0.5
445.28592	0.6
455.22449	11.8
455.28845	0.6
456.22784	0.6
463.10428	0.9
481.11371	1.7
481.20438	1.2
499.21460	100.0
500.21902	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	499.217
Annotation	Brianodin D
Peak:m/z	Relative Intensity
51.02359	0.6
53.03929	1.2
53.80065	0.4
55.01851	1.8
55.05298	0.5
55.05505	5.0
57.03414	0.5
57.07060	1.0
59.04990	2.1
63.24770	0.5
65.03928	0.4
67.05496	4.6
69.03423	4.4
69.07049	4.2
71.04981	0.7
71.43057	0.6
79.01848	4.0
79.05495	2.3
80.45023	0.4
81.03404	4.8
81.07048	4.4
83.04939	0.8
83.08598	3.8
85.02894	5.7
91.05466	2.5
93.07028	12.8
95.04942	1.5
95.08607	2.6
97.02873	3.2
97.06524	1.2
97.10110	0.4
99.04419	0.5
105.04460	0.6
105.06997	2.6
107.01295	1.2
107.04999	0.5
107.08576	10.1
109.02876	4.0
109.06482	0.7
109.10142	11.5
111.04440	0.7
111.08054	1.7
119.08568	1.9
121.06516	0.7
121.10137	6.1
123.08067	1.0
123.11732	1.4
125.02332	3.7
127.03905	5.5
131.08534	1.8
133.06444	0.7
133.10109	0.6
135.08041	0.5
137.05931	0.7
137.09650	0.6
139.07549	0.6
143.03375	5.0
143.08572	0.8
145.04932	0.9
145.10106	0.8
147.08081	0.6
147.11656	1.4
149.09674	0.7
149.13231	13.7
149.14447	0.7
150.10248	0.5
153.01804	100.0
153.02852	4.7
154.02164	1.8
157.10065	0.6
159.08028	0.7
161.13234	0.7
167.14294	6.6
171.02856	7.9
173.09645	0.6
191.10658	0.5
193.55411	0.5
193.59421	0.5
215.14354	0.8
257.15259	1.0
275.16452	1.2
293.17410	0.7
297.06079	3.3
315.07047	10.3
325.66885	0.5
395.22913	0.4
463.19656	0.9
499.16095	0.7
499.26328	1.4
519.99121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99986	0.8
71.66928	0.8
72.29182	0.7
79.20381	0.7
83.34609	0.8
103.38625	1.0
117.33933	0.8
119.08556	0.8
144.93880	0.8
164.92079	1.1
324.64059	0.9
443.24179	1.5
499.26593	100.0
500.26868	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	30.2
57.03427	42.1
60.08149	9.0
61.02916	65.0
61.59066	6.2
67.05494	84.9
69.03428	44.1
69.07069	40.5
69.18320	48.1
71.04988	9.0
71.08607	8.9
72.14407	7.3
73.02896	33.6
79.05484	37.0
81.03416	26.8
81.07056	98.0
82.98647	7.3
83.08598	28.2
85.02898	62.9
86.09673	19.1
91.03977	38.8
91.05455	22.6
93.07022	31.8
95.08604	73.0
97.02888	52.7
98.23092	38.2
99.04452	6.9
101.02370	8.7
104.10744	29.6
105.07011	23.6
105.11059	17.0
107.08573	18.8
109.02851	10.8
109.10120	26.4
119.08577	17.4
121.10121	17.3
123.11674	18.8
127.03876	24.8
131.08627	6.8
133.10120	17.4
135.11687	12.8
137.13196	10.5
145.04892	8.4
145.10133	7.8
147.11653	9.8
149.13295	11.4
159.64830	8.0
161.13283	8.0
164.92923	7.5
175.19499	7.2
184.07477	9.8
186.07773	16.2
245.22691	20.5
249.27269	7.7
263.23621	22.2
337.27353	100.0
411.31091	8.8
499.31583	16.7
499.37897	23.6
515.95477	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	499.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00214	0.4
62.98246	0.5
69.52325	0.8
69.52713	0.8
85.50266	0.4
104.99234	0.6
115.36541	0.3
164.93054	1.2
180.89346	0.4
181.06577	0.4
195.00262	2.1
198.97530	0.4
226.09500	0.4
432.90939	0.4
439.17352	1.1
457.18661	0.5
499.37521	100.0
500.37833	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	499.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36577	0.3
62.98248	0.5
96.39384	0.3
164.92982	0.5
193.07118	0.3
198.97479	0.8
219.20195	0.3
220.95665	0.5
228.93532	0.4
241.01714	0.3
257.77084	0.3
315.42380	0.3
327.19913	0.4
499.18234	1.8
499.37524	100.0
500.37738	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.52367	0.6
57.03428	0.8
60.43607	0.6
61.02924	1.0
64.13361	0.6
69.03426	12.1
70.77225	1.3
81.03414	4.5
81.92806	0.7
85.02903	3.1
89.75744	0.6
97.02854	0.8
99.04452	1.5
109.02887	0.7
124.60929	0.6
127.03907	1.8
146.98839	0.5
147.04416	1.0
157.02925	0.9
175.03896	1.5
175.11955	1.0
184.75186	0.5
185.02319	0.7
187.03877	4.0
203.03358	2.5
213.01860	2.3
215.03329	3.4
231.02878	17.5
241.01309	2.5
259.02383	25.5
260.02884	0.9
275.01990	0.9
276.02502	0.6
277.03418	100.0
278.03680	2.6
303.01331	9.3
312.00012	0.6
321.02335	2.6
465.06506	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.7
57.03429	1.7
61.02917	1.7
69.03420	11.6
69.74023	1.3
69.74415	1.6
70.03754	0.8
75.69193	0.7
81.03411	3.9
81.60311	0.7
85.02898	3.0
85.86420	0.8
97.02880	1.6
98.23446	1.4
98.97566	6.5
99.04430	2.1
99.97923	0.8
103.43938	0.7
110.97569	2.4
115.34260	0.8
116.98610	3.1
119.01925	1.1
127.03917	2.2
128.98572	2.1
131.01790	0.9
133.41707	0.8
134.99706	0.9
137.05983	1.2
143.01833	0.9
146.99594	1.3
153.01785	4.3
156.98059	0.8
158.99663	2.3
161.02878	1.2
163.03770	0.8
170.48532	0.8
170.99641	2.0
174.99139	5.8
175.03908	1.4
175.99478	1.3
177.00737	0.8
182.99585	1.0
187.03911	3.8
189.00732	1.4
193.00252	4.2
194.00447	0.8
201.00699	2.4
202.01036	1.4
202.22961	0.8
203.03415	3.3
213.01884	3.0
215.03427	3.4
217.00191	2.2
219.01715	2.4
231.02878	15.6
241.01309	3.3
243.01857	1.0
245.04930	1.6
259.02368	25.5
261.02768	2.6
262.03094	2.0
277.03397	100.0
278.03696	2.9
279.03751	0.8
280.04315	1.5
284.70276	0.8
303.01324	12.6
320.03537	0.9
321.02127	1.0
321.05399	0.9
322.05096	1.1
337.04251	1.1
338.04959	1.5
345.02057	1.0
465.06110	0.9
482.08667	1.0
500.09570	2.7
501.10214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
53.61978	0.6
57.03415	1.1
61.02905	0.9
65.03935	2.1
66.17343	0.5
68.01997	0.6
68.99767	2.8
69.03397	1.6
70.06590	0.8
70.71201	1.0
76.79816	0.5
81.03382	2.8
83.04976	0.7
85.02897	5.3
91.05453	1.2
93.03371	0.8
97.02867	2.2
98.22866	0.6
103.05432	1.5
104.71580	0.7
105.07014	1.2
107.04921	5.3
109.02849	5.5
111.04421	5.1
112.01586	4.7
113.79929	0.6
121.06474	8.5
122.07268	7.5
125.31248	0.7
127.03900	49.1
128.04175	0.8
131.04990	0.8
135.08002	1.1
137.05960	1.8
139.03876	7.3
140.04668	1.4
145.04938	0.8
149.09575	5.1
155.03366	100.0
156.03712	2.0
161.05936	1.1
163.07536	7.0
167.10643	5.7
168.04990	0.6
180.08720	1.0
181.08583	2.8
181.10027	0.7
207.89172	0.7
243.06474	1.1
261.05334	0.7
271.09573	0.7
275.08948	0.8
303.12283	0.9
321.13278	30.2
322.13571	0.8
417.79816	0.6
482.11191	0.7
501.19467	1.4
528.60510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98058	2.1
52.18828	2.0
53.03938	4.7
55.01859	12.2
57.03434	3.8
57.07078	6.6
59.56652	2.0
67.05510	3.4
69.03431	11.6
69.07064	7.8
70.02953	8.3
70.81743	2.0
72.04514	21.7
73.02914	12.0
73.06558	2.1
81.03413	16.3
83.04967	11.1
85.02894	13.8
85.06537	8.3
86.09713	3.7
87.08106	2.9
90.05553	41.5
95.04960	5.6
97.02895	13.4
98.02413	20.0
99.04462	8.2
100.03987	6.9
103.07575	6.3
103.18859	2.4
109.02868	31.0
113.06011	4.8
116.03448	21.6
121.40665	2.4
123.08080	4.0
124.07578	21.7
127.03936	16.8
132.06570	9.0
137.05972	57.2
141.09128	4.6
142.08586	18.2
145.03087	2.6
145.05006	6.9
147.04398	3.7
153.01877	4.6
156.10172	3.4
156.60789	2.2
159.10161	7.9
160.09702	7.4
163.03778	2.7
166.08583	4.9
172.09654	3.8
174.11284	5.2
184.09683	35.2
198.07716	3.8
199.06021	6.4
202.10732	100.0
211.09676	9.4
216.08614	4.4
217.07112	4.0
220.11790	24.8
230.10291	14.0
231.02718	3.4
234.09715	12.1
244.11862	4.1
253.61667	2.3
259.02258	3.3
262.12851	20.4
262.56281	2.3
264.75275	2.1
273.11267	2.6
277.03455	17.4
303.14294	2.5
310.12833	10.4
317.12393	3.1
328.13867	76.5
346.14908	15.5
364.15973	29.5
464.21164	2.8
482.22647	4.8
490.30612	2.3
500.15952	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	500.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05504	1.7
57.03432	2.2
67.05497	1.3
69.03419	3.7
69.22426	5.4
70.31770	0.8
75.04468	4.4
79.05491	7.3
79.38972	0.9
81.02988	1.0
81.03432	3.9
81.07053	3.4
85.02910	2.2
89.44071	1.0
91.05466	5.2
93.07043	37.7
94.04180	3.1
95.04968	4.1
95.08604	1.7
97.02892	3.1
98.22945	4.5
105.07038	3.6
107.08604	7.2
109.02857	2.2
111.08079	3.3
119.08583	5.3
121.10138	39.9
122.03673	5.7
127.03906	1.9
128.63905	1.0
131.08562	1.9
137.05968	100.0
139.11205	1.3
149.09612	7.0
150.57300	0.9
161.17319	0.9
167.10652	11.0
257.15396	1.3
285.14941	1.2
293.13779	2.1
311.14868	5.8
329.15826	1.5
386.84982	0.9
407.50449	1.0
440.41895	1.0
501.23077	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	500.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83413	1.8
55.01863	2.9
55.05507	18.0
57.03436	18.6
59.45454	2.0
61.86628	2.0
67.05500	45.4
69.07065	14.4
71.01355	3.8
71.04987	6.0
71.41637	2.2
79.05484	50.3
81.03410	35.4
81.06619	3.7
81.07050	38.1
83.04964	14.1
83.08617	8.7
85.02905	8.7
85.06535	2.8
91.05474	35.0
93.07036	47.3
95.04948	28.6
95.08620	12.0
96.89381	1.7
97.06528	9.2
97.10151	10.4
105.04500	2.4
105.07019	22.1
107.04961	6.1
107.08585	30.6
109.06503	6.7
109.10159	5.9
111.04478	2.5
111.08063	6.9
113.05979	2.2
117.07018	7.4
119.08566	14.9
121.10120	9.9
123.08052	2.8
125.09653	2.7
129.06984	6.0
131.08582	6.9
133.06496	3.5
133.10112	13.8
135.08040	4.7
135.11673	39.8
137.09636	3.6
145.10124	9.3
147.08034	2.8
147.11658	11.1
149.09612	4.2
151.11186	3.9
157.10106	6.4
163.11156	10.0
165.12724	3.4
175.11189	7.3
181.12210	13.4
193.12228	27.1
193.30585	2.0
197.53934	2.1
211.13274	35.6
236.90834	2.5
238.84589	2.1
241.42847	2.1
255.15875	81.2
267.16013	14.9
285.16959	28.7
447.27417	26.6
465.28430	100.0
466.28662	5.8
483.63080	2.4
500.38702	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01868	4.0
55.05507	18.0
57.03435	26.0
57.07066	2.2
58.11119	1.8
60.05015	2.0
62.25699	2.0
65.03924	3.1
67.05498	55.1
69.03423	3.8
69.07062	16.1
69.87782	7.1
71.01365	3.1
71.04988	6.4
79.05481	52.0
81.03409	52.6
81.07041	33.5
83.04972	17.6
83.08613	17.4
85.02890	10.7
85.06544	3.4
91.05473	34.5
93.07034	53.4
95.04957	24.8
95.08597	13.4
97.06493	11.2
97.10150	11.1
105.07030	18.6
107.04951	8.9
107.08582	22.9
109.06522	4.3
109.10129	4.9
111.08102	9.9
114.14926	1.8
117.07011	5.7
119.08558	17.3
121.06508	3.3
121.10147	9.1
129.06982	9.4
131.08577	9.7
133.10109	12.6
135.10655	2.8
135.11678	46.6
137.09625	3.4
145.10117	7.7
147.07971	2.1
147.11726	8.9
149.09625	3.5
157.10104	9.8
163.11160	6.5
175.11195	8.2
181.12233	12.8
193.12224	41.3
199.13255	3.2
205.26396	2.2
211.13268	50.1
234.15657	2.7
255.15897	100.0
256.16238	2.8
267.15894	20.8
278.65482	2.1
285.16971	32.6
285.20020	3.9
319.07419	2.1
447.27460	22.4
465.28439	47.9
500.31073	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26564	0.3
78.51083	0.4
79.05518	0.4
91.05480	0.6
95.08539	0.3
98.23154	0.4
105.07021	0.5
133.06508	0.4
137.05977	1.3
139.96736	0.3
152.80988	0.4
153.01862	1.1
161.05898	0.7
175.03712	1.0
175.07634	0.4
183.38751	0.3
195.06242	0.5
199.07706	0.6
211.05772	4.7
221.01608	0.3
261.09143	0.4
297.11157	0.4
313.16144	0.4
339.17728	13.3
373.10989	0.8
381.18924	0.5
457.24017	1.8
469.14594	1.2
501.23074	100.0
502.23389	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	501.3208
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
53.03955	0.5
55.05513	0.8
57.03412	0.5
59.04988	0.6
60.73162	0.3
61.49784	0.3
61.60279	0.4
65.03932	0.3
66.92616	0.3
67.05505	1.5
69.03422	0.5
69.07068	1.4
70.66232	0.6
70.66572	0.4
74.76733	0.4
79.05483	2.1
80.06292	0.3
81.03423	0.6
81.07049	3.3
91.05463	2.4
93.07043	2.9
95.04972	1.3
95.08589	3.3
97.06522	0.6
102.73269	0.4
105.07021	8.5
107.08589	3.9
109.06498	0.6
109.10162	1.6
117.07020	0.9
119.08585	6.8
121.06508	0.6
121.10126	1.8
123.08067	0.8
128.06216	0.6
129.07002	1.0
131.08566	3.2
133.10104	3.4
135.08066	0.9
135.11725	1.3
143.08522	3.6
144.09322	0.8
145.10109	4.1
147.08017	0.9
147.11703	1.6
149.09663	0.5
149.13264	0.9
155.08511	1.0
156.09322	3.3
157.10127	2.6
159.08078	0.9
159.11690	5.8
161.09634	1.4
161.13286	1.6
163.07516	0.4
163.11221	0.5
168.09378	0.7
169.10144	1.1
171.08015	0.5
171.11673	5.8
171.13058	0.5
173.09619	0.8
173.13211	2.1
175.11232	0.8
175.14806	5.1
177.12714	3.3
177.16388	0.7
180.28835	0.4
182.10898	0.4
183.11716	1.7
185.09602	0.6
185.13203	1.9
187.11176	0.7
187.14836	1.5
189.12671	1.8
189.16345	2.1
193.10307	0.8
197.13254	1.3
199.11127	2.1
199.14815	1.2
201.12790	1.1
201.16380	0.6
203.14394	0.9
207.11717	0.7
209.13414	0.5
211.11041	1.8
211.14825	0.7
213.12744	1.1
213.16389	0.7
215.14297	1.2
215.17923	0.5
217.12193	0.5
217.15886	0.6
225.12770	0.6
225.16377	0.6
227.14366	0.7
227.18037	0.7
229.12315	1.2
231.13882	0.6
231.17445	0.8
239.17847	0.6
243.17511	0.5
249.14824	0.8
279.17563	0.5
389.23120	1.3
389.28491	0.6
419.29376	1.6
437.30649	3.8
447.29053	0.8
455.31659	1.2
465.29996	1.6
483.31104	10.3
501.32083	100.0
502.32520	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	502.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.9
52.81929	0.9
69.03412	2.2
70.06605	1.0
71.41859	1.0
79.01862	2.4
81.03410	8.2
81.98174	1.0
85.02898	3.3
86.09699	1.0
93.17918	0.9
97.02889	7.1
99.04421	1.2
103.03987	1.4
107.01375	1.2
109.02867	7.1
125.02367	2.9
127.03909	9.2
139.03870	1.4
143.03366	6.2
143.07086	1.0
145.05020	1.2
153.01820	100.0
154.02199	2.1
171.02873	13.5
195.03026	1.1
238.57285	1.1
255.05063	1.8
261.07623	2.6
297.06027	9.1
315.07007	9.8
332.86102	1.1
490.37854	1.1
519.07349	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
66.29368	0.6
69.03424	3.1
73.06532	0.7
79.01847	3.6
81.03407	7.6
85.02903	3.7
95.05025	0.6
97.02888	6.2
98.23483	2.6
99.04452	1.3
107.01296	1.5
108.04469	0.7
109.02866	4.8
116.73337	0.8
125.02346	2.7
127.03905	6.4
130.37079	0.6
139.03918	0.7
143.03380	5.7
143.06992	0.7
145.04909	0.8
152.24196	0.6
153.01816	100.0
153.02856	4.1
154.02151	1.5
159.69276	0.6
163.03973	0.6
171.02879	12.6
171.06465	1.4
207.07690	1.3
213.03947	1.1
255.05019	1.1
258.81384	0.6
261.07602	1.5
279.08548	0.8
297.05957	9.0
298.06189	0.8
315.07019	9.6
341.13470	1.8
400.59082	0.7
410.69147	0.8
502.18665	1.3
527.17676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.52057	0.9
56.80173	0.8
63.01432	0.9
63.46848	0.9
69.03430	3.0
69.07068	1.6
69.33502	4.5
72.75039	0.8
77.37794	0.9
79.01849	2.6
79.05489	4.7
81.03426	5.4
81.07043	2.6
85.02897	2.8
91.05463	8.7
93.07034	27.8
93.07607	1.8
95.04960	3.2
95.08578	1.5
97.02870	4.2
97.06526	1.0
98.23431	2.0
105.04494	1.0
105.07017	3.1
107.01342	2.2
107.08585	29.1
109.02867	5.2
109.06506	1.3
109.10138	1.2
121.10150	0.9
125.02287	1.4
127.03907	6.5
133.10139	1.0
135.11679	18.9
135.12656	1.6
143.03398	3.6
145.04883	1.4
153.01814	100.0
153.02852	4.4
154.02127	1.9
171.02858	12.1
172.86765	0.9
175.07574	1.0
219.10149	6.4
287.13965	1.1
297.05966	7.8
315.07050	12.3
426.20145	6.2
466.29239	0.9
470.19049	1.6
502.22299	1.5
503.29514	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	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01871	7.6
55.05508	11.5
57.62848	2.5
57.65769	2.1
58.89661	2.1
60.05962	2.1
61.02927	3.7
65.03941	5.2
67.05504	20.6
69.03426	21.5
69.07068	11.9
71.04987	7.1
71.08637	2.9
73.02920	4.6
79.05485	25.7
81.03401	19.9
81.07050	48.6
83.04955	7.4
83.08607	5.4
85.02895	46.7
87.00812	18.2
91.05462	35.4
93.07039	63.6
95.04963	8.5
95.08595	40.3
97.02883	20.5
97.06523	3.1
97.10202	3.6
99.04448	9.2
102.74032	2.8
105.01854	18.7
105.07017	63.9
107.08584	67.7
109.02865	19.8
109.06522	6.0
109.10146	28.7
109.11349	2.5
111.08067	4.9
116.06227	3.0
117.01785	2.4
117.07006	18.4
119.08570	41.5
121.06522	4.1
121.10133	33.4
123.11710	4.9
127.03903	36.3
128.06223	2.8
129.01826	4.2
129.07016	6.6
130.07774	10.2
131.08562	44.8
131.09471	4.0
133.10114	32.4
135.11688	5.7
137.09630	3.6
138.31438	2.1
143.08556	8.4
144.09311	7.3
145.04953	11.0
145.10112	100.0
146.10800	5.0
147.11685	12.1
149.13257	15.3
151.11192	4.1
156.19562	2.4
157.10150	8.7
159.02899	11.8
159.11691	46.7
161.13249	9.2
163.11176	4.6
171.11751	3.1
173.13197	14.2
199.14828	2.7
201.16374	54.9
219.17433	10.6
219.71658	2.3
231.05002	7.5
242.78354	2.2
299.05954	2.6
502.18103	6.3
502.33420	9.5
503.33524	8.3
507.13641	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	502.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	17.0
55.01871	7.4
55.05505	9.1
57.03428	9.8
61.02935	4.8
67.05495	15.4
68.99803	3.0
69.03422	36.8
69.07060	13.8
70.71476	4.7
70.71814	6.3
71.04987	11.5
73.02908	7.5
77.91425	3.7
79.05487	24.7
79.69006	3.3
81.03403	31.0
81.07043	55.0
83.08605	4.9
85.02895	100.0
87.00821	36.9
91.03968	3.6
91.05476	46.3
93.07032	63.5
95.04974	9.9
95.08599	41.2
97.02876	33.1
99.04444	17.2
103.03910	4.0
105.01841	34.2
105.03459	3.3
105.07020	73.3
107.08583	82.3
109.02868	39.4
109.10152	28.6
112.74071	3.5
117.01901	4.4
117.07000	14.3
119.08557	37.9
121.10119	42.1
123.11707	5.0
127.03907	67.5
129.01822	8.1
129.06995	7.4
130.07791	9.5
131.08546	35.3
133.10106	43.7
137.09572	4.9
143.08578	8.0
145.04945	26.5
145.10114	75.9
147.02904	5.5
147.11688	13.0
149.13248	8.7
151.11180	5.3
157.10150	8.5
159.02887	27.7
159.11691	41.8
161.13245	14.4
171.11646	6.3
173.13234	17.4
174.89890	3.3
201.16353	50.7
211.14822	4.6
219.17346	8.4
231.05029	8.7
344.13135	3.6
453.73825	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	502.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61598	2.5
54.78804	2.8
55.05503	12.8
57.03427	12.0
67.05499	100.0
69.03418	3.8
69.07061	11.5
71.04982	24.4
72.72276	2.7
77.49159	2.5
79.05490	40.4
81.03402	4.2
81.07053	37.4
83.04975	8.1
83.08622	5.2
83.74187	3.1
85.06535	3.9
91.05464	30.4
93.07044	38.9
94.07382	3.3
95.04946	6.0
95.08607	15.6
97.06520	12.3
97.10176	6.4
105.07027	9.8
107.08589	26.5
109.06512	3.4
109.10140	54.4
111.08087	4.2
117.07054	8.1
119.08574	17.7
121.10146	9.0
131.08606	3.9
135.11678	38.8
137.09634	10.0
144.34348	2.9
145.10103	10.3
155.10716	3.9
163.11211	5.7
169.12163	3.0
173.11778	5.6
181.12265	10.8
255.15900	24.8
275.20007	3.9
287.18558	14.5
290.33456	2.9
331.26474	5.8
343.71384	3.1
376.40143	3.1
409.25833	78.3
410.25867	3.8
423.27121	14.4
435.21713	4.5
435.27390	58.4
436.27499	4.4
467.29935	26.7
502.32007	10.7
503.33978	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	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.6
57.03432	17.3
57.07070	35.5
59.05001	4.2
59.63501	3.2
67.05499	100.0
67.05862	5.0
69.07059	5.5
69.31358	14.2
69.54531	3.2
71.08626	27.2
79.05492	3.7
81.07059	25.9
83.08611	12.2
85.10175	11.6
87.34700	3.6
89.06033	10.5
91.05479	6.7
93.07005	5.1
94.91927	3.3
95.08588	22.8
107.52573	3.7
109.10144	73.6
109.10880	4.0
133.08591	4.2
155.10648	4.0
173.11707	20.8
189.11310	3.8
194.21291	3.5
197.07083	2.9
229.14325	93.7
313.27289	87.0
349.37958	3.8
432.78906	4.3
467.37311	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24967	0.8
56.96553	7.9
57.64812	0.7
69.60352	0.8
69.60684	3.6
74.97607	1.6
86.35533	0.8
94.93003	3.5
96.92823	1.8
98.23389	1.2
98.97569	100.0
99.30482	0.8
99.97900	0.8
110.97560	25.7
112.99151	0.9
116.97770	2.0
116.98605	42.8
125.73281	0.8
128.98595	17.8
128.99513	1.5
134.99629	11.4
142.96577	1.1
144.06735	0.7
146.99635	7.7
153.01802	2.7
158.99635	62.1
159.65483	0.8
160.97542	1.4
161.01154	1.0
170.99620	23.8
174.02899	0.8
177.00682	55.6
178.98547	1.6
189.00681	36.3
195.01752	2.6
200.02339	1.4
201.00684	2.0
202.22829	0.8
202.98660	4.1
207.01741	15.9
219.01729	23.6
219.03772	1.4
220.88394	2.5
220.99640	13.0
231.01740	2.5
232.99721	1.6
236.88800	1.8
237.02771	15.7
239.00653	2.2
249.02744	8.1
251.00748	3.7
255.03868	3.6
259.02267	0.9
261.02768	1.4
263.00662	5.0
277.03369	2.2
279.03839	50.5
280.04297	2.1
281.01669	1.7
291.03827	2.2
292.85217	1.0
297.04904	3.6
301.07034	0.9
303.01389	4.0
304.01697	1.1
309.04932	4.5
323.02808	34.0
339.05841	1.3
341.03836	5.6
366.91132	1.0
376.97913	1.4
390.83115	1.6
394.99130	1.0
416.80820	1.3
419.99338	0.9
503.15710	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	503.1887
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
51.16681	0.5
67.21111	0.6
69.22572	3.6
95.47775	0.5
98.97555	0.7
111.44147	0.5
124.05016	0.5
137.05945	1.9
153.01849	3.7
167.05498	0.7
225.87488	0.5
236.34146	0.5
237.02841	0.7
283.54944	0.6
307.09253	0.6
321.10992	0.6
341.15695	1.1
503.18884	100.0
504.19174	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	503.2098
Annotation	LY223982
Peak:m/z	Relative Intensity
67.01870	0.3
80.84101	0.3
81.03418	0.3
85.02872	0.3
97.02877	0.4
108.94579	0.3
119.08542	0.5
119.74312	0.3
121.15846	0.3
134.97643	0.3
137.05966	0.7
142.98293	0.3
147.37035	0.3
153.01770	0.7
161.06129	0.3
167.07014	0.3
173.08315	0.3
174.15559	0.3
252.92546	0.3
459.16397	0.3
503.20944	100.0
504.21127	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	503.246
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
69.51244	2.9
72.84877	0.6
73.04766	0.6
81.07045	1.3
91.05827	0.7
98.22723	0.9
100.11221	0.8
117.16945	0.6
119.08554	0.7
120.35166	0.6
137.05977	1.7
167.05530	0.6
182.15442	0.9
187.07460	0.7
228.25610	0.6
236.71593	0.6
245.01160	0.8
341.19315	1.1
350.10336	0.6
456.52277	0.8
471.22025	1.5
485.27505	0.7
503.24521	100.0
503.30011	3.6
504.24951	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.2
57.03432	3.4
57.07059	4.3
60.14548	3.1
67.05495	12.9
69.03436	9.0
69.07066	8.9
70.63872	2.7
71.04995	13.8
76.42932	2.8
79.05492	11.3
81.03417	3.8
81.07047	21.7
83.04980	4.6
83.08585	3.8
85.02901	9.2
85.06537	4.1
87.00821	5.2
91.05470	11.2
93.07011	16.2
93.57200	2.6
95.04951	3.8
95.08593	16.8
97.02882	8.1
97.06530	3.9
97.10185	3.2
98.61673	2.5
99.08111	4.5
105.01851	3.2
105.07024	33.2
106.07359	3.0
107.08589	19.0
109.02868	3.5
109.06450	2.9
109.10146	11.1
111.08022	3.7
119.08582	13.5
120.36138	2.9
121.10120	12.9
123.11704	8.6
125.09620	14.9
127.03925	6.6
129.55133	2.6
131.08546	6.6
133.10107	41.5
135.11679	4.2
137.05997	3.0
143.08511	4.6
143.10672	11.1
145.10094	7.4
147.11693	11.3
149.13246	10.7
159.11702	9.6
161.09702	3.8
161.13240	4.8
163.07559	2.9
165.12660	2.6
167.07037	4.2
167.14290	24.3
170.29280	3.2
173.13232	3.4
194.51396	2.5
201.16353	5.2
211.43062	3.5
219.17357	14.4
417.20670	6.7
457.33154	5.1
459.21994	9.3
503.25165	100.0
503.32126	4.2
504.25073	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	503.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01891	2.3
55.05500	15.6
57.03434	2.7
57.07076	4.2
58.05449	2.0
59.04996	1.9
67.05496	19.1
69.03414	13.8
69.07069	11.5
71.04987	40.7
73.02908	2.3
73.06549	6.8
79.05488	20.6
81.03418	5.8
81.07052	50.9
83.04977	4.3
83.08625	3.8
85.02898	17.9
85.06529	5.3
87.00826	9.4
91.05460	24.4
91.69699	1.8
93.07027	35.4
95.04962	7.8
95.08600	44.0
97.02889	11.7
97.06535	7.7
97.10178	4.2
99.04463	3.9
99.08086	11.0
103.05442	1.9
105.01852	9.4
105.07013	67.7
107.08582	40.7
109.02883	4.5
109.06506	2.8
109.10149	23.9
111.08068	3.3
115.03936	3.1
117.07014	5.1
119.08570	25.5
121.06549	2.0
121.10133	23.9
123.08044	2.7
123.11718	11.9
123.29994	2.3
125.09623	42.2
127.03923	12.9
127.07590	5.4
127.11191	4.4
131.08545	13.9
133.10114	100.0
135.11694	5.3
137.05984	4.7
137.09657	2.1
139.11160	3.5
141.06981	2.4
143.10652	40.1
145.04936	4.3
145.10127	15.0
147.11671	28.2
149.09669	2.0
149.13235	32.4
151.11183	4.1
157.10129	3.5
159.11673	14.7
161.13278	11.6
163.11177	2.3
167.14294	77.2
169.12276	2.3
173.09576	2.2
173.13300	3.3
175.14845	3.9
201.09497	2.0
201.16306	15.4
209.11763	2.4
219.17407	32.9
237.18518	8.2
296.70462	1.9
305.24680	3.6
319.96713	2.0
375.09293	2.5
503.25113	24.9
503.31375	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	503.2977
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
59.40180	0.9
67.05495	3.2
69.07059	1.5
74.65968	1.0
79.05469	1.0
79.49287	1.1
81.07046	2.5
83.08628	1.0
93.07036	3.2
95.08597	1.7
109.10149	1.2
121.10153	1.0
149.13242	1.3
166.56175	1.0
194.72519	0.9
212.46733	0.9
235.13013	11.3
291.15591	10.6
503.29742	100.0
504.30002	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	503.3365
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
55.01871	0.7
55.05505	2.1
57.07073	0.9
58.10309	0.4
67.05502	4.0
69.03423	1.1
69.07072	2.8
69.25318	2.8
71.05023	0.7
72.90357	0.4
79.05487	4.0
81.03419	0.6
81.07046	6.4
83.04983	2.1
83.08614	1.0
85.02890	0.8
85.06531	0.6
91.05473	4.2
93.07049	7.8
95.04974	2.5
95.08600	9.1
97.06520	1.3
97.10220	0.6
105.04515	0.5
105.07034	13.0
107.04988	1.0
107.08593	10.6
109.06522	2.2
109.10153	4.1
111.08092	1.4
115.05410	0.5
117.07005	1.6
119.08577	16.6
121.06508	1.7
121.10136	12.1
123.08084	1.8
123.11692	1.6
125.09633	0.9
128.06238	0.6
129.07047	1.0
130.05014	1.4
131.08591	5.4
133.10118	8.9
135.08081	2.1
135.11671	2.7
135.57939	0.5
137.05942	0.5
137.09648	1.5
139.07574	1.0
141.07010	1.2
142.07761	1.0
143.08560	3.4
144.09367	0.8
145.10124	6.8
147.08040	1.3
147.11678	6.1
149.09615	3.9
149.13298	2.0
153.09120	1.1
155.08562	1.5
156.09317	1.0
157.10127	4.8
159.08078	1.4
159.11684	5.6
161.09595	4.3
161.13277	3.8
163.07605	0.5
163.11168	2.3
163.14771	2.6
165.09102	0.8
169.10156	1.3
170.10965	0.6
171.11664	3.7
173.09688	1.9
173.13246	7.1
175.11220	1.8
175.14832	7.4
177.12775	0.7
177.16379	1.5
181.10196	0.5
183.11752	2.3
185.13220	4.1
187.11168	0.6
187.14804	4.0
189.12798	1.9
189.16374	9.2
191.14322	1.8
191.18120	0.7
195.11732	0.6
197.13255	3.1
199.14796	4.1
201.12779	2.8
201.16394	1.8
203.14304	2.1
205.12314	0.5
207.13887	0.6
207.17323	0.7
209.13315	1.0
209.15279	0.6
211.14894	1.4
213.12759	2.3
213.16420	1.6
215.14319	2.3
217.15898	5.5
223.14809	0.9
225.16423	0.9
227.14339	0.9
227.17987	1.3
229.15981	1.4
229.19484	0.9
231.13861	2.5
233.15276	0.8
235.16985	1.8
237.16348	0.5
241.19579	1.1
249.14870	1.3
253.19548	1.6
257.19058	0.8
267.15741	2.6
267.20825	0.7
271.20578	1.6
277.38229	0.5
299.19785	0.8
391.29785	0.9
403.29932	1.5
405.27689	0.7
419.29471	0.7
421.31082	2.5
437.30646	2.0
439.32016	1.9
449.30234	2.6
457.33243	3.6
467.31570	8.0
485.33054	2.9
486.32449	0.6
503.33652	100.0
504.33972	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	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17110	1.1
53.03934	4.2
55.01873	7.4
55.05507	20.0
57.03427	3.0
57.07057	2.0
59.04987	3.1
65.03940	5.3
67.05499	100.0
69.03421	1.6
69.07063	28.0
71.04979	3.5
79.05485	29.1
81.03412	8.7
81.07053	48.2
81.11191	1.2
83.04987	6.8
83.08615	12.1
85.06531	2.0
91.05470	44.7
93.07036	30.2
95.01330	8.5
95.04972	11.0
95.08598	26.9
95.09200	1.8
97.06526	14.5
97.10157	2.8
98.23486	2.8
99.08065	1.2
103.05429	1.0
105.04490	3.1
105.07022	50.0
107.04945	16.0
107.08587	15.1
109.06510	3.1
109.10146	56.0
111.08051	4.9
115.05458	1.0
117.06998	10.6
119.08572	28.5
121.06484	3.2
121.10120	8.4
123.04423	1.2
123.08041	3.0
125.09617	2.5
129.06967	4.1
131.08559	16.9
133.06407	1.5
133.10121	31.1
135.08034	2.4
135.11673	4.5
137.09602	4.4
139.07555	1.5
141.06985	1.4
143.08563	2.2
145.06422	1.7
145.10118	13.4
147.11684	14.2
149.09576	5.1
149.13237	3.6
155.08540	1.3
155.10678	2.1
157.10132	4.0
159.11668	8.2
161.13258	5.2
163.11154	3.7
163.14616	1.2
165.09178	1.7
169.10060	2.8
171.11670	4.3
173.11722	8.8
173.13235	3.9
175.11201	1.3
177.12718	2.9
179.14282	14.4
183.11708	2.4
187.11188	2.5
197.13280	1.7
205.12140	1.8
211.13231	3.3
223.13283	3.1
229.14276	2.0
229.19400	2.9
239.17949	1.6
247.20531	1.3
257.18939	7.6
274.70065	1.2
275.20032	60.7
293.21051	4.4
299.05878	1.5
349.23721	1.9
382.11575	1.3
503.33960	37.1
504.34091	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05133	10.7
55.01867	17.2
67.05504	25.1
69.03425	36.5
75.18472	10.6
76.54388	11.3
79.05478	19.6
81.03411	45.8
81.07047	59.6
81.37225	9.9
85.02902	68.6
87.00806	25.9
91.05477	25.5
93.07021	46.5
94.62788	9.7
95.04936	19.3
95.08608	64.4
97.02885	24.9
99.04436	17.2
105.01835	16.7
105.07033	79.3
105.45365	11.3
107.08585	62.6
109.02859	50.0
109.10150	45.7
119.08578	44.8
121.10156	14.2
127.03898	61.3
131.10049	11.5
133.10114	41.8
137.05980	21.4
145.04904	17.0
147.11688	47.3
159.02921	17.9
161.13277	11.5
203.17889	100.0
244.27077	14.7
307.09775	11.0
394.32901	10.4
424.83243	10.4
453.79041	11.3
455.15076	10.7
465.69180	11.8
484.95752	11.6
505.23941	49.7
507.49490	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	4.4
55.01862	7.2
55.05501	15.0
56.97930	5.0
59.84649	4.4
67.05503	31.2
69.03434	5.6
69.07055	19.5
69.48071	21.8
79.05475	19.5
81.03411	5.0
81.07044	66.5
85.02907	12.3
87.00831	7.2
91.05460	39.1
93.07042	100.0
95.04957	14.1
95.08598	52.4
97.02888	10.8
105.01848	9.4
105.04508	8.5
105.07026	56.7
107.08586	51.3
109.02864	6.5
109.10146	65.1
111.08076	43.6
119.08562	48.4
120.55605	5.2
121.10112	24.9
123.11678	20.2
127.03911	8.5
133.10126	22.4
135.11674	45.3
137.05957	13.0
145.10083	4.8
147.11650	60.3
156.50139	5.5
161.13220	16.7
175.14853	5.8
203.17953	75.7
204.18271	5.6
221.19032	7.7
230.59126	5.5
282.16980	5.0
505.19452	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37911	0.5
53.03935	0.8
55.05495	1.6
57.03407	0.6
57.07072	14.8
61.34945	0.5
67.05499	1.3
69.03429	2.8
69.07059	1.1
79.05492	6.2
81.03413	1.6
81.07053	3.3
83.04972	0.8
85.02891	5.1
85.06042	0.9
85.06535	10.2
87.00837	2.8
91.05455	4.9
93.07041	25.4
94.07374	0.9
95.04955	2.1
95.08601	3.7
96.08963	0.6
97.02868	1.7
97.06538	0.6
99.04442	1.0
105.01844	5.3
105.07017	13.5
105.07731	0.7
107.08599	2.9
108.08925	0.9
108.39185	0.6
109.02853	2.1
109.06495	1.0
109.10149	1.7
114.94667	0.5
117.06993	0.6
119.08573	14.9
120.08945	1.1
121.10136	100.0
122.10492	1.9
123.08047	1.1
127.03918	5.0
131.08604	1.2
132.08885	0.6
133.10104	3.3
134.10504	0.6
135.11688	0.8
143.08583	1.0
145.04948	1.8
145.10130	1.3
146.10483	0.9
147.11646	3.3
149.09628	0.7
149.13347	0.7
151.11234	0.7
153.52231	0.5
157.10165	0.7
159.02863	1.0
159.11699	1.7
159.26395	0.6
160.12036	0.6
161.09505	0.7
161.13252	1.6
173.13249	1.3
174.13545	0.6
175.11176	0.7
175.14902	0.6
176.15134	0.6
183.11566	0.7
185.13255	1.1
187.14850	0.9
189.12737	0.8
190.16719	1.3
203.17902	4.0
211.11154	0.7
218.16327	0.8
221.18994	5.0
231.05130	1.7
238.21638	0.8
249.06030	1.5
422.31302	0.8
439.05716	0.6
440.31949	0.6
450.30533	0.8
458.33582	0.6
462.72128	0.6
468.31952	1.1
476.91568	0.6
486.33282	1.0
503.33554	1.5
504.34024	20.2
505.34366	0.7
533.64319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23046	0.3
63.60173	0.3
69.16972	1.2
69.17377	0.5
80.09005	0.3
91.05495	0.4
94.06486	0.3
98.22682	0.5
114.82767	0.3
137.05972	0.4
152.92737	0.3
163.07610	0.4
177.01573	1.7
185.04242	0.3
191.03133	0.8
283.11197	0.3
306.07333	0.4
311.08884	3.5
316.61658	0.3
323.07388	0.7
324.08224	2.4
327.08405	5.7
342.10730	15.6
343.08133	0.3
343.11478	13.7
505.16733	100.0
506.17044	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	505.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96478	1.1
55.01867	25.2
61.13799	1.1
65.03942	1.5
79.05479	3.0
81.07070	2.0
91.05461	13.4
93.03420	1.4
93.07037	2.1
94.04195	3.8
95.04974	2.0
103.05445	6.1
105.03421	1.7
105.07030	3.9
107.04924	3.7
109.06540	1.7
115.05450	8.8
117.07001	4.8
118.04126	1.3
119.04921	2.9
119.08582	2.7
120.05751	1.6
121.06469	2.6
122.03633	4.8
128.06229	2.3
129.07013	3.8
131.04912	7.1
132.05669	1.2
133.02876	1.1
133.06451	1.9
135.08022	2.7
137.05957	56.6
141.06995	1.4
143.04918	2.5
144.05707	3.0
145.06487	4.8
145.10190	1.7
146.03676	1.8
147.04433	4.3
147.08018	10.8
147.11745	1.2
149.05980	6.1
151.03909	4.1
151.07529	4.8
153.01819	5.3
153.06955	1.5
155.04916	6.3
155.06076	1.8
157.06548	1.4
159.08028	2.4
160.05167	12.7
161.05957	12.7
163.07516	5.0
165.07019	4.3
167.07053	4.5
170.03661	2.8
171.04411	5.9
172.05173	13.0
173.05946	4.9
173.09676	1.3
175.04012	1.6
175.07512	21.5
177.05490	4.3
179.08507	1.5
181.04964	1.6
181.06473	3.2
183.04395	3.3
185.05928	27.0
187.07498	6.5
188.04723	8.6
189.06981	1.4
191.06975	8.1
191.08507	1.5
193.06474	2.6
193.08487	1.9
194.07283	2.6
195.08022	2.6
197.06013	1.6
197.09575	1.5
199.07643	1.7
200.04657	3.2
201.05411	2.5
203.06995	100.0
204.07387	3.4
205.06506	3.3
206.07182	1.8
207.08049	2.6
210.06735	2.0
211.07455	2.0
213.09102	2.1
215.06978	17.0
217.06572	1.3
219.08047	2.9
221.05942	5.7
222.06532	1.8
223.07527	2.0
224.08205	2.3
225.09088	4.6
233.05927	3.3
233.08183	3.6
234.06754	2.9
235.07468	5.0
237.09036	3.0
238.06116	2.2
239.06996	2.1
240.07637	1.3
247.07486	3.3
248.08168	1.8
249.09079	5.4
250.06177	2.3
251.07162	2.8
252.07640	1.4
253.08533	4.7
258.06714	2.9
259.07526	2.3
261.09167	1.5
263.07059	3.1
265.08560	3.7
266.09430	1.6
267.10202	2.8
268.07233	3.7
269.05704	1.6
269.08200	2.4
270.08908	1.5
273.09076	1.4
277.08582	6.5
278.09155	1.6
279.08356	2.0
281.07986	1.3
283.09610	6.7
284.10410	3.2
285.11157	11.2
286.06262	1.4
287.06949	1.9
288.07782	2.1
289.08511	2.2
291.10025	2.8
292.07150	1.4
293.11798	1.4
294.09006	1.9
295.09653	2.3
297.11227	3.2
298.11938	2.2
301.08389	6.0
302.09189	1.8
307.09689	4.7
308.10507	2.8
309.11179	4.5
310.11960	4.9
318.08835	2.4
319.09735	2.7
323.10492	1.3
327.12341	2.8
328.13031	4.2
333.11142	8.5
345.11005	1.4
350.09125	2.2
351.09796	1.6
366.08557	1.3
379.09341	1.5
382.11923	2.2
393.11121	3.6
394.12018	2.3
395.13107	1.4
405.10938	2.0
410.11337	2.5
411.12119	2.1
425.13791	5.5
427.15372	2.4
437.13864	6.2
443.14758	2.4
454.14191	1.8
455.14847	1.8
457.16412	23.1
458.16553	2.3
461.15781	1.5
469.16400	17.1
475.17172	4.7
487.17566	6.4
505.18341	5.3
505.24625	4.1
505.31744	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81009	0.3
67.52502	0.4
70.46119	0.8
79.05460	0.5
81.07047	0.9
91.05464	0.5
91.62878	0.4
92.18620	0.4
93.07019	0.5
95.08589	0.6
98.22868	0.6
100.11243	0.4
105.07053	1.0
107.08604	0.7
109.10207	0.4
119.08595	1.2
121.10197	0.4
131.08571	1.2
133.10193	1.1
137.06013	1.1
145.10098	0.7
147.11662	1.1
151.03770	0.5
151.07663	0.5
159.11746	0.6
161.05959	0.5
161.09697	0.4
173.13251	0.7
175.07474	0.5
175.14992	0.6
187.14789	1.0
191.32365	0.5
193.82724	0.4
199.14844	0.7
201.16454	0.4
205.15877	1.1
207.09895	0.5
351.14261	1.2
399.98047	0.4
404.52655	0.5
404.74088	0.4
469.33356	0.6
504.29861	1.1
505.20386	100.0
506.20749	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	505.2039
Annotation	Aglacin I
Peak:m/z	Relative Intensity
56.52575	0.5
57.07832	0.5
79.05489	1.0
85.02914	0.8
91.05489	2.1
97.02880	0.7
105.07026	1.2
107.08595	3.7
109.06490	0.6
115.05431	1.7
117.07010	1.6
135.08037	16.2
137.06012	0.7
152.21379	0.5
153.01883	0.9
163.07530	8.6
176.04263	0.6
176.09401	0.5
181.08621	3.7
203.06871	0.7
204.07622	0.7
205.04700	37.6
206.05113	0.7
209.55754	0.5
217.08345	1.8
218.05521	1.8
227.83365	0.5
232.07068	0.6
268.29019	0.6
293.09888	4.8
307.11563	5.0
325.91898	0.7
343.13861	2.0
430.15988	1.5
505.20407	100.0
506.20816	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	505.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03944	0.9
55.01870	0.5
55.05509	2.3
57.07090	0.9
65.03933	1.2
67.05498	4.6
67.77672	0.3
69.03422	6.7
69.07050	2.2
70.52239	0.6
71.04986	0.6
72.20506	0.3
77.03917	0.7
79.01834	3.2
79.05481	9.7
81.03410	2.1
81.06562	0.5
81.07043	7.3
83.04974	3.2
83.08598	0.6
85.02906	1.2
85.06520	0.5
89.36346	0.3
91.05469	9.3
93.07034	5.5
95.04948	3.4
95.08582	2.1
97.02895	1.1
97.06497	0.6
103.05459	0.9
105.04564	0.4
105.07016	11.9
107.01315	1.1
107.04933	5.7
107.08580	23.6
109.02866	1.6
109.06502	3.5
109.10135	8.3
111.08103	0.7
115.05441	2.7
116.06213	0.7
117.07017	2.6
117.74349	0.4
118.07785	0.5
119.06061	1.1
119.08566	5.5
121.06509	2.6
121.10130	11.9
122.07274	7.6
123.08049	1.5
125.02336	2.5
127.03896	2.6
129.07016	0.4
131.08539	4.1
133.10110	100.0
134.10429	1.6
135.08035	9.8
135.11687	1.6
136.08661	0.3
137.05966	1.5
137.09595	62.3
138.09933	1.2
143.03384	4.2
143.08553	1.0
145.10101	2.0
147.08023	0.5
147.11670	2.2
147.12741	0.3
149.05994	0.4
149.09599	5.8
149.13234	9.0
151.11172	0.7
153.01808	66.5
153.02870	3.5
154.02155	1.1
157.06543	0.4
157.10185	0.4
158.10912	1.5
159.11633	0.3
161.13226	0.7
163.07559	0.3
163.11156	0.4
163.14828	1.7
171.02853	2.1
171.11725	0.6
173.09557	0.5
173.13240	5.7
175.11166	0.7
177.09132	0.8
177.12721	0.4
179.06995	0.5
187.11409	0.4
187.14835	0.6
188.71019	0.4
189.12746	0.9
191.14281	47.4
192.14658	1.6
201.12680	0.5
203.14346	0.6
207.13727	0.5
215.14104	0.4
227.14334	0.5
233.15417	0.4
255.05014	0.5
255.13762	0.6
273.14786	0.7
281.15247	0.3
297.06079	2.7
299.16293	0.4
315.07022	2.6
317.17413	0.6
323.29718	0.3
335.18460	0.5
353.19556	1.5
370.15146	0.4
419.90134	0.4
487.19467	1.1
505.20313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32272	8.4
55.03866	9.6
55.05503	19.2
67.05502	21.7
69.03429	14.3
69.07078	25.6
70.63157	20.0
71.05000	21.1
77.54545	10.9
79.05478	23.0
80.80913	8.8
81.03394	15.5
81.07054	100.0
85.06532	18.6
91.05473	33.8
93.07050	54.2
95.04961	25.2
95.08601	40.4
97.06538	11.4
105.07030	59.5
107.04978	13.1
107.08575	55.5
109.06511	15.4
109.10147	43.4
117.06989	8.9
119.08543	52.7
121.10143	41.2
123.08076	11.8
123.11703	38.4
125.09676	11.5
127.03952	12.4
127.11212	15.0
131.08591	12.5
132.64868	9.9
133.10141	40.1
135.04416	13.5
135.08029	10.2
135.11671	60.1
137.05974	34.7
143.10661	13.8
145.10103	20.3
147.11678	27.3
149.09631	13.2
149.13246	21.9
153.01822	27.0
159.11703	15.7
163.14764	11.3
165.09143	13.9
173.13274	11.3
175.07681	11.1
177.09143	14.5
191.14293	15.1
197.65910	10.5
203.17906	49.2
204.18300	23.6
221.19003	54.6
222.19421	22.1
354.22870	11.0
505.19998	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46648	0.4
55.05509	1.3
57.03423	1.3
67.05500	4.9
69.07068	1.0
69.30847	0.6
69.31260	1.7
69.44687	0.4
70.69994	0.4
71.04940	0.6
79.05480	3.9
81.03407	1.2
81.07052	2.4
83.04990	1.5
83.08610	1.1
85.02897	1.2
91.05471	3.4
93.07033	3.1
95.04971	1.1
95.08595	1.1
96.81519	0.5
101.18044	0.4
105.07030	1.4
107.08620	1.7
109.10138	1.1
119.08588	1.7
125.09611	0.4
129.07027	0.6
131.08533	0.8
133.10081	0.9
135.11722	1.3
145.10146	1.5
147.11693	0.7
157.10170	0.6
160.23976	0.4
163.11159	0.8
171.11678	0.9
221.11485	4.1
251.12527	6.6
254.86673	0.5
255.15904	0.8
277.14047	6.4
281.17496	1.0
307.15134	3.5
408.51416	0.5
413.26447	0.6
487.30460	1.3
505.27664	100.0
506.27975	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03940	4.7
54.39546	1.0
55.01862	3.2
55.05253	1.7
55.05508	21.8
57.03434	8.0
65.03931	5.1
67.00069	1.0
67.05499	75.8
69.03416	1.2
69.07064	14.9
71.04993	2.9
71.41731	1.1
73.06551	3.5
77.03923	3.7
79.05486	100.0
80.05798	1.5
81.03408	9.9
81.07053	55.2
82.07350	1.0
83.04980	17.6
83.08597	8.4
85.06545	3.4
91.05474	79.4
92.05792	1.3
93.07037	94.8
94.07368	1.5
95.04960	34.5
95.08601	33.4
97.06516	5.6
97.10164	3.9
99.08060	1.4
103.05466	2.1
105.04528	7.3
105.07020	57.8
107.04947	8.7
107.08586	25.1
107.09255	1.8
109.06500	9.1
109.10145	8.4
111.08065	2.3
115.05440	2.2
117.07016	12.7
119.08572	34.2
121.06486	4.8
121.10139	5.9
122.85257	1.0
123.08082	8.3
123.11717	1.4
127.07568	1.2
128.06223	3.7
129.06996	25.2
130.07756	1.0
131.08569	6.4
133.10121	13.3
135.08058	1.7
135.11693	4.3
139.07596	1.1
143.08569	12.4
145.10118	15.4
147.08040	3.1
147.11670	55.2
161.09576	6.4
161.13239	15.2
163.11198	3.5
165.09117	1.2
169.10164	1.4
171.10170	2.0
171.11670	41.2
179.14330	2.9
189.12724	21.1
207.13785	49.6
225.14795	6.8
229.14377	1.8
233.15358	2.8
255.16003	1.5
259.20645	1.8
261.81436	1.1
263.16351	1.7
281.17453	67.1
282.17783	2.2
469.29584	1.6
487.30548	64.8
488.30466	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	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17064	0.3
53.03943	0.3
53.60671	0.3
55.01853	0.4
55.05500	2.7
57.03426	0.7
57.07062	1.0
67.05499	2.6
69.03391	0.3
69.07060	2.1
69.17912	1.7
71.08617	0.5
71.26860	0.3
74.73167	0.3
79.05482	1.4
81.07048	1.3
83.08618	0.9
89.03914	5.6
91.05431	0.8
93.07028	1.4
95.08600	1.1
97.10155	0.8
105.07040	0.4
107.08549	1.0
109.10143	0.9
117.03367	15.2
119.08559	0.5
121.10118	0.8
134.03581	1.2
135.04395	1.4
135.11670	0.7
141.65627	0.3
145.02837	39.2
146.03154	0.6
149.05966	5.0
158.06035	0.4
163.03885	0.8
173.96980	0.3
177.05452	100.0
178.05791	1.8
179.74559	0.3
186.05441	1.4
195.06503	1.3
213.27351	0.4
229.14316	0.4
230.56522	0.3
241.19650	0.4
252.66788	0.3
259.20688	0.5
294.86203	0.3
311.25797	0.4
385.46222	0.4
505.31458	2.5
505.37833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.7
53.03939	5.1
55.01871	2.9
55.05511	29.3
57.03439	8.6
57.07067	2.5
59.04985	1.5
63.61959	1.2
65.03938	7.3
67.05502	75.5
68.05852	1.7
69.07059	17.9
69.28843	2.6
69.29234	3.9
71.04972	3.5
71.08626	2.0
73.06547	2.1
77.03920	3.2
79.05489	100.0
80.05834	1.9
81.03407	12.7
81.07053	63.2
83.04977	17.0
83.08624	10.1
85.06542	4.2
91.05476	92.7
92.05830	1.7
93.07042	92.4
95.04964	35.4
95.08018	2.5
95.08603	35.5
97.02785	1.7
97.06508	7.2
97.10163	5.0
98.23514	1.8
99.08108	1.8
105.04540	7.1
105.07023	67.3
106.07357	1.9
107.04958	8.4
107.08592	22.7
109.06544	8.4
109.10142	14.8
111.08073	3.4
115.05460	1.8
117.07008	12.5
118.59806	1.4
119.08574	35.4
121.06491	3.4
121.10135	6.2
123.08048	6.3
127.07515	3.1
128.06206	4.2
129.06990	27.4
131.08563	6.3
133.06511	1.5
133.10115	14.3
135.11691	4.6
136.08780	1.3
143.08548	13.0
145.10121	13.6
147.07990	2.4
147.11679	51.5
148.11934	2.1
149.13206	1.7
159.11707	2.1
161.09593	5.5
161.13260	20.1
163.11186	3.0
171.11670	43.1
173.11746	2.7
179.14253	2.8
189.12744	18.3
189.14345	2.1
193.12236	1.6
195.00270	6.6
207.13791	50.1
208.14238	2.1
225.14897	4.9
229.14336	3.2
241.19557	3.3
259.20520	3.8
263.16364	3.1
281.17462	71.0
282.17844	2.2
333.24210	2.6
438.22772	1.3
474.66071	1.6
487.30469	60.6
488.30673	2.5
505.34329	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	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69984	4.2
55.05495	18.3
67.05489	19.3
69.07060	12.2
70.32589	5.3
70.32931	7.6
79.05472	18.8
81.07050	45.6
82.41275	4.1
83.04976	14.9
83.08625	10.9
85.06550	6.2
91.05466	33.0
92.54453	4.3
93.07044	48.7
95.04967	9.5
95.08602	47.3
97.06530	8.1
99.08067	22.5
101.54349	4.4
105.07024	77.6
107.08583	50.3
109.06534	6.7
109.10155	28.0
111.08064	5.8
117.07008	10.3
119.08572	100.0
121.06513	6.2
121.10152	34.6
123.08021	7.4
123.11689	15.8
125.09641	6.3
129.07004	8.7
131.08565	60.5
133.10121	56.1
135.08127	6.7
135.11722	27.8
137.05956	11.9
137.09521	5.8
143.08562	14.7
144.09297	6.5
145.10112	87.8
147.11673	63.7
149.09660	4.0
149.13271	17.0
153.01836	7.7
155.08603	5.2
156.09322	7.2
157.10107	23.6
158.10788	5.2
159.11710	44.5
161.09631	7.0
161.13225	23.6
163.14783	10.8
169.10138	7.1
171.11714	21.6
173.13235	53.7
175.11235	6.4
175.14819	34.2
177.09056	5.9
177.12804	6.5
177.16357	31.1
183.11665	6.4
185.13245	26.4
187.14793	92.8
188.15154	4.8
189.16394	28.7
191.14291	9.5
191.17950	5.3
195.11734	5.3
195.13759	4.4
197.13258	11.7
199.14790	38.2
201.16374	52.3
203.14282	25.3
203.17943	9.6
205.15865	79.1
209.13196	5.6
211.14780	6.6
213.16405	14.5
215.14333	6.7
217.15871	12.0
219.17427	11.2
221.15350	10.2
225.16461	5.2
227.18001	4.5
229.15727	4.6
351.26666	5.2
379.27063	5.1
387.30276	9.4
393.31256	12.1
395.33029	9.7
405.31375	30.3
411.32697	9.4
423.32611	37.1
439.31940	12.0
441.33124	4.7
451.31793	18.5
469.33200	32.3
490.45929	4.6
505.20499	72.1
505.30850	6.5
506.19977	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01869	2.0
55.05506	13.4
56.90809	0.7
57.03436	9.7
57.07067	2.6
57.65345	0.8
59.05000	4.7
61.81583	0.8
65.03941	3.8
67.05499	100.0
69.07063	9.2
71.04995	2.5
71.08675	0.9
71.65899	0.8
77.03906	0.9
79.05484	24.6
81.07051	30.8
83.04975	1.0
83.08610	9.4
85.06538	2.6
91.05466	34.6
93.07037	29.8
95.04969	5.0
95.08604	16.9
97.06547	1.7
97.10172	2.7
99.08080	1.5
103.05453	0.9
105.04488	1.0
105.07019	34.0
106.07399	1.1
106.52252	0.8
107.04969	1.4
107.08584	16.0
109.06538	1.8
109.10147	65.9
110.10509	1.2
111.08069	2.6
117.06997	8.5
119.06033	0.9
119.08563	34.8
120.08938	1.0
121.10126	11.1
123.11672	1.5
125.09633	3.2
128.06172	0.9
129.05489	1.6
129.07005	6.7
130.07780	1.4
131.08569	13.0
132.09064	0.7
133.10114	21.8
135.08090	1.2
135.11690	9.1
137.09642	2.6
143.08542	4.9
145.10126	11.8
147.11673	25.1
149.09587	1.3
149.13234	6.5
155.10645	4.3
156.09587	0.8
157.10132	6.0
159.11664	11.7
161.13243	17.8
163.11177	1.9
163.14815	2.2
169.10120	1.1
171.11652	8.7
173.11740	22.1
173.13249	6.2
175.11188	0.9
175.14787	7.3
185.13264	6.5
187.14844	2.7
189.11304	1.6
189.16336	0.8
199.14801	3.6
201.16316	1.1
213.16342	1.1
227.12735	4.9
229.14328	47.9
231.17450	0.9
231.21031	4.3
239.18002	1.0
241.19504	21.4
241.21867	1.6
243.21167	1.2
259.20560	51.7
260.20819	2.1
261.22171	2.2
275.20294	0.9
277.21619	2.2
315.23111	4.4
333.24191	25.2
334.24274	1.0
395.29193	1.2
413.30453	2.3
487.34161	7.6
488.34933	0.9
505.35165	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	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	2.4
53.03931	4.0
55.05502	14.1
55.54230	2.2
57.07072	3.4
64.92547	2.0
65.03952	2.5
67.05495	21.6
67.96442	3.0
69.03438	4.8
69.07056	18.0
69.27551	6.0
69.27935	4.9
71.04975	6.7
78.21849	2.0
79.05476	23.5
81.03425	5.8
81.07045	42.2
83.04959	8.2
83.08601	8.4
85.02883	6.2
85.06541	5.3
91.05463	31.1
93.07030	51.9
94.07393	3.2
95.04953	10.2
95.08596	49.8
97.02865	2.6
97.06530	6.8
99.08087	15.8
102.67529	2.1
103.05452	2.9
105.01825	2.2
105.07014	76.3
107.04906	3.9
107.08582	64.0
109.06513	7.8
109.10145	28.7
109.79964	2.0
111.08084	7.0
113.09588	4.1
115.05441	5.5
116.10717	3.2
117.07018	15.0
119.04966	4.6
119.08560	100.0
120.08881	3.6
121.06488	9.0
121.10123	46.0
123.08045	10.6
123.11736	12.8
123.19963	3.2
125.09625	3.0
127.03860	2.9
128.06160	2.4
129.06998	8.1
131.04951	3.1
131.08553	51.1
133.06487	6.1
133.10100	57.4
135.08035	8.7
135.11674	26.8
137.05957	18.7
137.09612	9.1
137.13199	2.9
139.11191	2.8
141.06935	3.5
142.07729	4.3
143.08563	16.8
145.10107	53.1
147.04395	2.5
147.08037	4.5
147.11665	63.7
148.12085	2.7
149.09605	7.8
149.13222	13.1
151.07520	10.8
153.01831	3.3
155.08517	6.9
156.09331	3.1
157.10086	25.1
158.10796	3.8
159.08061	4.4
159.11685	37.6
160.12251	2.1
161.05930	6.4
161.09578	9.3
161.13246	21.9
163.11157	5.2
163.14778	10.8
165.09122	2.8
167.07033	9.5
167.08395	2.7
169.10114	7.0
170.10869	3.9
171.11674	14.5
172.12389	2.5
173.13232	31.9
175.07506	4.3
175.11153	6.8
175.14799	31.1
177.09076	35.5
177.12749	6.6
177.16342	36.3
179.14259	2.9
181.05112	2.7
181.08490	2.7
181.10052	2.7
183.11682	7.6
185.13235	17.1
187.14789	70.5
188.15154	2.8
189.12752	5.7
189.16377	19.7
191.14272	18.2
193.08553	7.3
193.15915	4.2
195.10129	5.5
197.13234	9.2
199.14784	29.9
201.16344	51.7
203.14313	23.8
203.17941	8.7
204.18196	3.7
205.15836	47.3
211.14761	6.3
213.16374	12.1
215.14383	5.6
215.17944	3.7
217.15860	12.9
219.17432	10.3
221.11533	2.8
221.15231	11.2
223.14827	4.3
225.16420	3.4
227.17932	5.2
229.15955	3.0
231.17392	5.6
235.16855	4.3
263.10718	2.3
265.12241	2.4
283.20499	3.0
297.11139	7.4
323.12817	18.4
325.13785	2.8
351.26862	2.5
363.26773	2.7
375.30591	3.1
377.31946	3.6
387.30252	3.5
389.19940	3.5
393.31366	10.2
395.32968	5.1
405.31473	24.1
407.20956	4.5
411.32587	13.4
423.32538	29.8
433.31125	2.7
439.32104	5.9
441.33527	6.7
451.32217	10.9
469.33109	18.5
505.21375	22.8
505.31430	4.5
506.20367	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	13.0
55.05503	19.0
57.07064	38.6
67.05493	46.7
71.08624	25.0
73.01706	10.0
79.05472	16.1
79.33162	10.1
81.03407	89.8
81.07040	35.3
83.08600	21.4
91.05484	19.6
95.04969	25.6
95.08601	12.7
103.45576	12.5
105.06988	15.2
109.10149	19.1
115.05408	15.4
117.14600	12.5
117.91633	10.3
119.08569	10.0
119.20918	9.5
135.12698	11.4
142.07776	10.3
144.00677	9.3
151.58211	10.8
162.14561	10.9
193.12238	20.9
198.83191	13.7
254.65936	11.5
256.35184	10.4
275.00226	13.9
312.53284	11.9
417.69214	11.5
505.38815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01861	2.4
55.05507	17.3
55.05777	0.8
57.03427	3.6
57.03654	0.6
57.07073	45.4
59.04981	1.0
65.03933	2.6
67.05499	45.3
68.05845	1.0
69.03420	2.3
69.07065	12.7
69.11430	3.8
71.04990	2.1
71.08627	30.7
77.03911	0.8
79.05489	21.3
81.03410	100.0
81.07049	38.0
82.03732	1.3
82.07382	1.1
83.04972	3.3
83.08614	33.0
85.06524	1.6
85.10176	17.6
91.05472	27.2
93.07039	15.1
95.04962	27.6
95.08598	31.5
97.02888	2.0
97.06516	1.7
97.10165	7.6
99.08091	1.6
99.11697	1.2
103.05464	0.9
105.04509	1.2
105.07021	17.7
107.04939	7.5
107.08580	6.3
109.02839	0.9
109.06516	3.2
109.10143	23.9
111.04433	2.2
111.08075	7.1
111.11716	2.3
115.05461	2.2
116.06213	0.7
117.07025	2.7
119.04923	0.8
119.08567	16.8
121.06480	3.1
121.10139	6.3
123.04427	2.0
123.08020	1.6
123.11702	5.6
125.09610	1.1
125.13245	1.2
128.06194	1.0
129.06985	10.6
129.07840	0.8
131.08563	10.8
131.09471	1.1
132.08876	0.7
133.06477	3.9
133.10101	6.7
135.11713	1.9
137.09615	2.2
137.13234	2.7
142.07774	3.4
143.08501	1.2
145.10150	1.6
147.08052	3.2
147.11667	9.7
149.09601	4.3
149.13326	0.9
151.14908	0.9
157.10139	8.3
159.11684	1.0
161.13255	2.3
163.11217	1.0
165.12755	1.3
165.16397	0.9
171.11777	0.6
173.11755	2.5
173.13152	0.7
175.11180	7.9
175.14751	1.1
179.14336	2.1
185.13278	1.0
193.12225	50.2
194.12637	1.7
221.22690	1.2
229.14334	3.7
231.13791	0.7
239.23656	8.5
239.25864	0.7
241.19519	3.2
247.95016	0.6
249.14856	6.4
251.18343	0.6
259.20618	5.4
277.21719	1.6
333.24066	3.0
439.13980	0.6
448.48648	0.6
487.34247	0.8
505.38901	71.4
506.39050	4.4
519.55750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09923	0.6
53.03937	3.5
55.01862	1.6
55.05095	0.7
55.05504	10.3
57.03436	2.4
57.07073	36.7
57.34375	0.6
58.88082	0.7
65.03938	1.3
67.05499	25.0
69.03423	2.0
69.06610	5.3
69.07057	12.3
71.04978	1.5
71.08627	30.0
72.28282	0.8
78.25801	0.7
79.05491	10.9
79.51611	0.6
81.03412	84.4
81.07052	27.3
82.03773	0.8
83.04976	3.2
83.08612	32.9
84.08949	0.8
85.06507	1.7
85.10175	17.3
91.05474	17.0
93.07039	7.7
95.04961	23.4
95.08601	30.4
96.08949	1.2
97.02872	2.3
97.06552	1.4
97.10165	10.1
97.41779	0.7
99.11721	1.5
105.04544	1.0
105.07014	11.6
106.29568	0.7
107.04934	4.6
107.08607	3.2
109.06517	2.6
109.10155	13.6
111.04463	1.8
111.08072	10.5
111.11748	1.9
113.13302	0.8
115.05401	1.4
117.07015	1.2
119.08571	10.5
121.06506	2.4
121.10150	4.2
123.04416	1.1
123.08075	0.7
123.11698	7.9
125.13283	1.3
129.07004	9.9
131.08563	6.6
133.06522	2.3
133.10123	3.5
135.11613	0.9
136.85440	0.7
137.09610	2.1
137.13274	3.5
142.07765	1.6
147.08057	2.6
147.11678	6.0
149.09595	4.1
151.14772	1.6
153.20399	0.7
157.10112	8.7
165.12784	2.0
165.16423	0.9
169.78697	0.7
175.11177	12.9
179.14339	0.6
185.13181	1.1
193.12221	58.5
194.12592	2.6
205.12270	0.9
213.12711	0.9
221.22667	1.3
231.13794	1.0
239.23653	11.4
249.14832	8.4
366.68509	0.7
505.38846	100.0
506.39157	5.6
529.28351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01861	1.7
55.05508	15.5
57.03440	2.3
57.07072	42.7
63.08591	1.0
65.03931	2.4
67.05155	2.0
67.05502	28.1
69.03433	1.8
69.07069	14.1
71.04991	2.3
71.08627	31.0
79.05491	13.2
81.03412	90.3
81.07052	33.7
82.03765	1.0
83.04986	2.8
83.08611	35.1
85.06558	1.3
85.10177	17.4
86.10474	1.1
87.74909	0.9
91.05474	17.1
93.07043	6.7
95.04960	24.8
95.08601	32.0
97.02877	2.6
97.06509	1.1
97.10163	9.5
99.11705	1.9
105.07028	13.2
107.04951	6.1
107.08580	3.8
109.06513	2.8
109.10154	16.1
111.04420	1.5
111.08074	9.9
111.11692	2.5
115.05442	3.4
117.07024	2.1
119.08581	10.7
121.06465	2.7
121.10127	5.9
123.08150	1.3
123.11703	10.3
125.13263	2.0
129.06996	10.5
131.08556	8.7
133.06473	2.7
133.10120	4.1
135.11731	1.9
137.13245	3.5
142.07791	3.6
143.16830	1.1
145.10101	1.4
147.08090	2.3
147.11670	7.5
149.09653	3.9
149.13257	1.7
151.14801	1.4
157.10104	10.6
165.12784	2.0
175.11191	11.0
193.12231	46.9
194.12581	1.4
195.13734	1.4
231.13950	1.9
239.23659	10.9
249.14835	8.0
316.09348	1.2
505.38834	100.0
506.39178	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01865	3.3
55.05507	19.5
57.03424	2.8
61.02925	2.5
65.03936	8.1
67.05508	7.8
69.03427	40.1
70.72890	4.8
81.03412	26.4
83.04976	100.0
85.02895	17.2
93.03405	18.6
93.39976	2.0
97.02892	51.1
98.22948	2.8
99.04446	6.3
108.04469	8.2
109.02856	22.7
111.04431	63.8
121.02854	25.9
127.03923	30.8
139.03897	95.7
139.04976	4.9
145.04947	14.9
153.01810	9.8
157.04955	53.3
157.06192	4.4
255.08577	15.1
283.08093	17.4
301.09174	45.9
302.12479	2.9
319.10217	39.7
345.12997	13.5
349.90585	2.3
403.94113	2.7
452.94427	2.8
507.10870	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	506.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	25.2
60.39610	11.5
67.05490	42.6
69.07061	31.3
79.05479	43.1
81.07059	72.0
81.43887	13.1
83.04978	15.1
83.08623	13.6
91.05463	51.6
93.07039	56.0
95.05007	18.5
95.08604	70.9
95.26385	13.1
104.09363	13.4
105.07026	68.8
107.08595	92.9
109.10135	42.7
119.08579	100.0
121.10103	34.4
123.11732	14.7
125.09619	63.4
130.16190	13.5
131.08546	26.2
133.10133	79.5
135.11676	44.1
135.99306	13.9
145.10124	55.3
147.11655	37.3
159.11688	61.8
161.13266	25.3
173.13219	38.1
175.14839	25.9
177.16423	14.5
187.14828	68.6
189.16396	40.9
191.17918	16.6
199.14832	28.9
201.16313	80.7
213.16373	27.4
215.17966	42.4
219.17438	15.3
227.90004	13.6
235.16943	22.4
247.16751	24.3
386.10922	17.6
389.32043	27.5
407.32855	75.0
411.35410	15.2
435.32581	56.8
453.33456	80.7
489.28458	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	507.1109
Annotation	Kunzeachromone E
Peak:m/z	Relative Intensity
56.15456	0.7
64.26099	0.7
65.61925	0.7
70.98022	1.1
71.51637	0.8
74.96053	0.8
75.83976	0.8
80.87563	0.8
108.52445	0.7
146.90891	0.7
172.36844	0.8
177.01614	2.8
192.03922	16.2
193.04691	3.8
337.05313	1.8
357.70966	0.8
461.20566	0.8
476.08954	1.0
477.09637	1.1
507.11087	100.0
508.11612	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	507.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09369	2.3
57.58710	2.1
67.61378	2.2
70.99107	3.6
89.03896	9.3
91.05433	3.6
94.07130	2.7
94.43622	2.3
95.04955	3.4
98.23038	2.9
102.51450	2.8
103.05431	3.3
105.07021	6.5
107.04926	2.9
117.03362	17.8
122.03607	5.4
129.08086	2.5
133.06461	4.6
137.05957	60.0
145.02838	41.8
149.05937	9.9
151.02678	2.4
151.03897	43.9
151.05028	3.5
151.07477	6.4
163.07574	3.9
177.05446	72.6
177.06981	4.7
179.06975	7.4
193.04887	3.0
203.07018	2.3
205.06453	3.3
209.08031	7.4
219.08014	6.0
221.08023	4.5
222.06564	3.1
234.06702	4.2
235.07573	4.2
237.09038	5.3
240.07768	3.9
245.05785	3.8
245.09529	9.4
247.07645	5.6
248.08266	5.5
249.05316	3.3
249.09154	3.1
250.06168	3.6
251.10590	2.8
257.57828	2.4
259.07474	3.7
261.05585	5.4
261.08990	5.0
262.06293	10.9
262.09872	2.9
263.06918	6.5
264.07852	4.3
265.08588	11.3
268.07300	15.2
272.08139	5.3
273.09030	13.8
274.09549	3.0
275.06961	5.4
276.07889	2.9
277.08551	10.5
278.09302	4.1
279.06525	4.4
279.10037	6.9
280.10904	3.0
281.08124	5.5
283.09607	22.3
283.12949	5.4
287.10577	3.1
289.04916	10.2
290.05649	12.3
290.09320	14.8
291.06781	4.2
291.10110	7.0
292.07376	4.0
293.08041	5.9
294.05374	2.7
295.09634	6.8
297.11124	9.4
301.08499	7.7
304.07120	3.4
305.08005	23.7
305.11661	14.2
306.08804	7.4
307.09610	9.5
311.12787	9.6
315.10028	5.5
318.08789	23.6
319.09531	5.4
321.07776	3.4
321.11230	16.9
322.08386	4.5
323.12784	4.4
324.09497	3.3
325.10709	11.4
329.13693	4.2
333.11169	56.3
334.11646	5.5
337.10550	13.6
337.14264	6.6
339.12192	4.4
341.13599	3.1
347.12711	4.0
350.11447	7.8
351.12399	13.7
355.15262	7.8
365.13788	100.0
366.14185	4.8
383.14850	88.4
384.15302	4.3
423.26086	2.7
439.15408	3.5
457.16379	6.9
461.15891	3.3
465.19061	11.1
489.19006	69.9
490.19086	4.7
507.20218	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	507.2014
Annotation	(+)-Lariciresinol 9'-p-coumarate
Peak:m/z	Relative Intensity
54.64422	1.0
55.01878	1.0
57.50667	0.9
70.04053	1.8
78.04701	1.2
79.05502	3.1
82.20547	1.1
89.03914	10.6
91.05473	2.9
94.04189	2.5
94.31732	0.9
95.04980	1.5
98.23138	2.5
103.05458	5.5
105.07020	11.5
107.04972	2.7
117.03369	24.4
121.06522	1.2
122.03647	3.7
131.04878	5.0
133.06461	9.0
134.03639	2.1
135.04398	2.2
135.08028	1.1
137.05963	67.4
138.06296	1.9
145.02831	53.3
146.03226	1.2
147.04399	1.1
149.05971	10.3
151.03883	4.4
151.04970	1.1
161.05946	1.5
163.07559	2.7
165.07016	1.0
165.09053	5.1
177.05455	100.0
178.05872	1.4
179.07021	15.6
179.08476	1.8
181.06348	1.0
186.05476	1.6
191.07028	1.1
194.07224	0.9
195.10149	1.0
201.05348	7.2
204.50519	1.0
205.06508	3.3
219.32530	1.0
221.06050	1.1
222.06770	3.0
225.09105	1.0
233.06030	1.8
236.08301	1.4
237.09132	5.2
240.07800	2.6
249.05371	1.4
250.06270	3.5
251.06822	0.9
251.10689	1.8
265.08572	12.6
266.09207	1.2
268.07260	7.4
270.08820	2.1
279.10123	1.1
282.08759	1.1
283.09644	13.9
283.13260	5.7
292.07336	1.5
293.08096	5.8
297.11154	6.2
307.09766	1.6
311.12704	6.3
318.37640	1.0
325.10666	23.4
329.13870	6.2
365.13785	1.3
383.14935	2.3
489.18402	1.5
507.20181	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	507.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
51.58652	0.4
53.03941	0.8
53.92244	0.3
55.01864	1.0
55.05508	3.2
57.07077	0.9
62.88064	0.4
65.03944	0.5
67.05209	0.5
67.05503	6.0
69.03427	3.0
69.07062	2.3
69.92727	0.8
69.93124	0.8
71.04980	0.7
79.01848	5.5
79.05486	2.7
81.03409	4.0
81.07047	4.9
83.04984	5.0
83.08586	0.7
85.02896	2.5
91.05473	2.7
92.73147	0.3
93.07043	5.1
95.04971	5.4
95.08602	9.0
97.02885	2.6
97.06508	1.2
98.22780	0.5
99.04463	0.8
99.84454	0.4
103.03930	0.9
103.05488	0.4
105.07050	3.5
107.01318	1.1
107.04945	0.5
107.08597	4.9
109.02876	1.3
109.06502	2.6
109.10146	5.9
111.04449	0.9
117.07058	0.6
119.08566	4.7
121.06493	1.6
121.10151	3.5
123.04350	0.4
123.08081	1.1
123.11649	1.0
125.02360	3.0
125.05986	1.1
127.03918	2.0
131.08575	0.7
133.06503	0.9
133.10126	4.0
135.08057	2.6
135.11668	3.7
137.05989	2.4
137.09608	15.1
137.10661	0.9
138.09984	0.4
143.03394	6.9
143.08583	0.7
145.10135	1.5
147.08061	0.8
147.11700	1.5
149.06044	1.0
149.09583	0.8
149.13255	0.7
149.58116	0.4
151.07530	1.4
151.11163	0.8
153.01820	100.0
153.02885	5.4
153.09059	0.6
154.02158	1.4
155.08516	0.4
157.10112	1.0
161.05980	1.2
161.09619	0.7
161.13289	0.4
163.07576	1.2
163.11189	0.5
163.14787	0.5
165.09096	0.5
165.12740	0.9
167.07060	0.6
171.02881	1.8
173.09578	0.5
173.13257	1.2
175.07550	1.3
175.14815	3.0
177.09074	0.9
179.03430	0.4
179.07066	0.9
179.10684	2.7
185.09610	0.5
187.14835	0.5
189.09116	0.5
191.07068	0.5
191.14333	1.0
193.15869	4.9
195.02954	0.7
197.04414	0.5
201.09053	0.7
203.10707	0.6
205.04958	1.0
207.13841	0.5
215.14207	0.6
217.12317	0.4
217.15997	0.5
219.10172	0.8
227.10681	0.6
233.15338	0.5
241.15779	0.4
245.11737	1.1
251.16315	1.9
255.04974	1.3
275.16306	0.5
277.17926	0.5
281.13715	0.5
283.16953	1.1
297.05991	2.5
301.17957	3.0
315.07034	2.0
319.19092	3.9
327.16049	0.6
337.20056	1.4
355.20996	0.7
451.15778	0.8
489.20917	1.2
507.22604	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.4
51.57706	1.4
53.03932	7.7
54.13684	1.7
55.01874	17.0
55.05265	1.8
55.05511	31.3
57.03436	17.2
57.07064	2.1
57.15978	2.0
59.04988	2.6
62.63330	1.8
65.03925	3.6
67.05499	75.4
69.03403	2.7
69.07056	17.9
70.14489	3.4
71.04995	8.7
73.06543	1.8
79.05488	100.0
81.03418	26.8
81.07052	68.5
82.20057	1.6
83.01337	6.9
83.04974	27.0
83.08616	17.0
83.76961	1.6
85.02917	7.3
85.06537	3.1
87.04408	1.6
91.05475	72.0
93.07040	97.3
95.04963	38.7
95.08599	37.1
97.02895	2.5
97.06525	9.3
97.10168	6.5
98.22802	2.0
98.45942	2.0
98.98452	4.2
99.04450	1.9
99.08120	2.1
105.04501	5.1
105.07026	52.8
107.04944	16.4
107.07923	2.7
107.08591	32.0
109.06514	11.9
109.10080	10.1
111.04421	9.8
111.08062	6.3
117.07012	19.2
119.08569	32.8
121.06479	7.2
121.10118	16.9
123.08058	13.7
125.06065	2.5
125.09628	2.3
128.06232	4.6
129.06984	20.5
130.07762	1.9
131.08560	9.5
133.10124	12.8
135.08015	4.2
135.11685	12.5
137.09558	2.6
139.07484	3.5
143.08505	7.4
145.10100	26.0
147.08058	2.9
147.11671	41.5
148.12086	2.0
149.13260	2.3
153.12759	4.8
157.10110	3.3
159.11752	3.5
161.09608	5.7
161.13252	13.2
163.11176	22.1
169.10110	2.7
171.11670	28.3
173.09613	4.5
181.12254	6.5
187.87469	2.1
189.12718	16.4
191.10670	6.8
193.12297	4.3
205.12198	2.2
207.13791	36.8
209.11734	9.3
211.13240	4.0
223.13263	8.4
225.14789	3.8
227.12785	6.5
281.17450	48.9
283.15381	55.6
292.55118	1.8
334.22919	2.1
335.25812	7.2
471.27298	3.8
489.28439	72.6
490.28564	6.0
507.29620	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	507.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.7
53.03936	7.0
55.01870	26.4
55.05260	2.4
55.05510	32.5
57.03436	9.0
57.07069	10.4
59.04998	2.4
65.03932	4.7
67.05500	81.5
69.03426	7.5
69.07068	19.6
69.98165	1.6
69.98476	3.1
70.04221	1.4
71.01339	2.8
71.04980	5.1
73.02901	2.8
77.03893	3.4
79.05487	100.0
80.06266	3.9
81.03414	29.5
81.07053	65.5
82.04201	15.7
83.04521	2.7
83.04972	28.3
83.05431	2.1
83.08610	10.4
84.05780	1.6
85.02884	4.3
85.06539	4.3
91.05475	85.6
92.05779	1.9
93.07037	77.4
94.04206	2.6
95.04962	47.0
95.08604	35.4
97.02893	4.7
97.06514	12.2
97.10162	10.3
98.07320	10.8
99.04424	1.8
99.08112	2.2
105.04522	5.3
105.07025	48.7
105.07737	2.5
107.04950	16.2
107.08576	29.9
108.05727	3.0
109.06531	10.1
109.10152	13.8
111.04436	5.6
111.08070	6.6
113.06061	1.5
115.05489	2.2
117.05523	1.8
117.07028	17.4
119.06124	1.5
119.08574	31.5
121.06500	10.4
121.10129	13.4
123.08047	11.8
125.09633	10.9
127.07574	2.2
127.11193	3.3
128.06230	4.6
129.05501	2.2
129.06993	21.1
130.07771	2.8
131.08543	12.6
133.06424	2.4
133.10132	16.9
135.08046	5.8
135.11685	6.7
137.09639	3.9
141.08987	1.9
142.07758	2.8
143.08528	7.5
143.79031	1.5
145.06383	1.8
145.10138	16.4
147.08034	3.3
147.10565	3.1
147.11673	39.7
149.06001	1.9
149.09639	2.0
153.09079	2.8
153.12737	3.1
156.09335	2.0
157.10176	4.3
158.05730	4.0
159.11656	2.6
161.09604	6.0
161.13278	11.1
163.11180	8.2
164.11876	2.0
169.10022	1.5
171.06532	6.6
171.11674	29.6
173.09645	2.3
175.11090	2.7
177.12810	2.2
181.12231	2.3
185.08009	2.1
189.12711	11.1
191.10648	2.8
193.12248	4.1
201.14926	2.6
206.12978	4.3
207.13792	30.2
209.11667	5.4
211.13217	2.9
213.11157	1.5
225.11234	2.0
225.14856	5.3
227.12732	6.8
229.14439	1.8
238.27824	1.8
240.90923	1.6
241.14357	2.1
253.14409	3.0
255.15878	6.9
265.14337	2.5
281.17505	12.0
283.15372	8.0
293.17484	2.0
325.23712	2.0
334.04205	1.5
335.18399	7.9
363.21402	3.5
405.26028	2.9
406.27072	3.7
435.27164	2.7
489.28372	5.2
491.79440	1.6
495.09491	1.6
507.29550	35.1
508.29254	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	507.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14791	4.8
55.01861	5.4
55.05511	11.3
58.65369	4.9
59.04994	13.9
60.95401	3.9
63.07118	4.1
65.03943	4.9
67.05501	33.5
68.89309	4.2
69.03430	5.3
69.07060	28.1
69.97905	9.5
71.04987	12.5
74.14757	4.1
74.57578	4.5
78.08360	4.2
79.05495	24.3
81.07047	46.5
83.04985	6.6
83.08618	7.5
85.06502	4.4
86.73373	4.2
88.03032	4.2
91.05490	26.1
93.07043	46.1
95.04967	10.5
95.08598	39.0
97.06512	6.1
98.23183	9.2
99.08101	5.8
105.07014	35.8
107.08603	62.9
109.06505	15.2
109.10144	100.0
111.08073	15.4
117.07009	13.5
119.04983	5.2
119.08557	32.2
121.06503	8.9
121.10135	34.8
123.08052	21.1
123.11733	6.0
125.09660	6.3
129.06943	7.0
131.08553	27.2
133.06493	9.6
133.10103	44.8
134.10428	6.9
135.08022	12.0
135.11691	14.6
137.05954	18.7
137.09636	21.9
143.08583	16.3
145.06406	7.0
145.10117	25.8
147.08054	12.5
147.11639	9.0
149.09586	11.1
149.13219	10.6
151.07611	5.0
151.11156	32.6
153.01807	11.5
155.08540	12.1
157.10106	17.9
158.07275	8.7
159.08058	8.4
159.11707	17.7
161.09653	8.9
161.13290	23.2
163.11172	6.0
165.09123	28.2
169.10130	10.3
169.12202	5.0
171.08069	9.4
171.11707	12.0
173.09634	32.4
173.13278	15.7
175.11217	8.9
177.16380	5.2
179.14320	13.9
181.04944	8.3
181.09952	5.6
182.10832	7.3
185.13295	8.7
187.11171	21.1
187.14830	10.1
189.09033	9.8
191.10667	16.7
195.11729	6.6
197.13327	11.4
199.14867	11.7
201.12654	6.7
203.10767	5.4
205.12239	6.0
209.13292	5.7
211.11198	6.8
213.12737	11.5
215.14282	27.9
223.14836	5.9
225.12711	5.3
227.14084	5.8
231.13799	19.7
233.15379	24.1
235.14859	5.9
239.18097	7.5
249.14853	16.3
251.09058	9.1
261.14780	6.2
265.15787	7.6
281.10202	14.1
283.16782	6.8
301.17990	7.5
303.19601	11.1
319.20715	10.0
337.21503	11.2
343.22690	7.0
349.62439	5.8
355.22562	20.4
373.23611	11.6
377.24820	7.9
393.27783	19.1
395.25888	9.4
411.28973	62.2
413.26926	41.4
417.27713	7.6
429.29877	61.8
431.27930	19.9
435.28876	15.2
453.29953	58.1
471.31189	36.0
507.18478	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	507.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14791	4.8
55.01861	5.4
55.05511	11.3
58.65369	4.9
59.04994	13.9
60.95401	3.9
63.07118	4.1
65.03943	4.9
67.05501	33.5
68.89309	4.2
69.03430	5.3
69.07060	28.1
69.97905	9.5
71.04987	12.5
74.14757	4.1
74.57578	4.5
78.08360	4.2
79.05495	24.3
81.07047	46.5
83.04985	6.6
83.08618	7.5
85.06502	4.4
86.73373	4.2
88.03032	4.2
91.05490	26.1
93.07043	46.1
95.04967	10.5
95.08598	39.0
97.06512	6.1
98.23183	9.2
99.08101	5.8
105.07014	35.8
107.08603	62.9
109.06505	15.2
109.10144	100.0
111.08073	15.4
117.07009	13.5
119.04983	5.2
119.08557	32.2
121.06503	8.9
121.10135	34.8
123.08052	21.1
123.11733	6.0
125.09660	6.3
129.06943	7.0
131.08553	27.2
133.06493	9.6
133.10103	44.8
134.10428	6.9
135.08022	12.0
135.11691	14.6
137.05954	18.7
137.09636	21.9
143.08583	16.3
145.06406	7.0
145.10117	25.8
147.08054	12.5
147.11639	9.0
149.09586	11.1
149.13219	10.6
151.07611	5.0
151.11156	32.6
153.01807	11.5
155.08540	12.1
157.10106	17.9
158.07275	8.7
159.08058	8.4
159.11707	17.7
161.09653	8.9
161.13290	23.2
163.11172	6.0
165.09123	28.2
169.10130	10.3
169.12202	5.0
171.08069	9.4
171.11707	12.0
173.09634	32.4
173.13278	15.7
175.11217	8.9
177.16380	5.2
179.14320	13.9
181.04944	8.3
181.09952	5.6
182.10832	7.3
185.13295	8.7
187.11171	21.1
187.14830	10.1
189.09033	9.8
191.10667	16.7
195.11729	6.6
197.13327	11.4
199.14867	11.7
201.12654	6.7
203.10767	5.4
205.12239	6.0
209.13292	5.7
211.11198	6.8
213.12737	11.5
215.14282	27.9
223.14836	5.9
225.12711	5.3
227.14084	5.8
231.13799	19.7
233.15379	24.1
235.14859	5.9
239.18097	7.5
249.14853	16.3
251.09058	9.1
261.14780	6.2
265.15787	7.6
281.10202	14.1
283.16782	6.8
301.17990	7.5
303.19601	11.1
319.20715	10.0
337.21503	11.2
343.22690	7.0
349.62439	5.8
355.22562	20.4
373.23611	11.6
377.24820	7.9
393.27783	19.1
395.25888	9.4
411.28973	62.2
413.26926	41.4
417.27713	7.6
429.29877	61.8
431.27930	19.9
435.28876	15.2
453.29953	58.1
471.31189	36.0
507.18478	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	507.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50840	9.9
52.12051	8.5
55.05503	66.7
56.16046	8.5
56.90005	9.4
67.05499	32.7
68.46180	9.7
69.03434	10.0
69.07048	14.4
79.05480	39.1
81.03399	23.7
81.07036	37.4
83.04953	13.3
83.08583	18.4
91.05470	69.1
91.10272	9.8
93.07036	60.9
95.04972	22.1
95.08606	39.8
97.06509	20.0
99.04425	27.8
100.11257	67.3
105.07024	28.4
107.08578	28.6
109.10107	18.3
119.04926	20.6
119.08579	30.8
121.06470	13.7
121.10131	43.6
121.12129	10.5
125.05988	18.7
131.08560	16.9
133.10147	45.7
135.08038	22.8
135.11635	11.1
137.05988	100.0
137.09569	17.3
137.13290	11.4
147.11687	15.2
149.05975	15.4
149.09561	17.0
151.07555	59.8
165.09079	21.8
165.12686	11.1
175.07449	9.8
175.11156	14.6
182.15407	65.2
193.12169	48.8
199.07535	32.1
199.13034	10.0
210.14917	13.6
211.13295	23.4
215.14360	9.7
217.15759	11.3
223.14029	9.7
224.94652	9.8
291.10049	10.3
309.21744	42.9
321.11240	16.4
323.12460	12.6
335.12708	22.7
356.11899	11.0
379.58908	9.8
397.87222	9.6
427.28235	25.1
489.18524	11.9
507.20901	10.5
507.25598	45.9
507.39163	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
59.04977	1.2
67.05502	8.6
69.03393	1.0
69.07061	6.1
71.04991	1.4
79.05482	8.4
81.07053	49.6
83.04964	3.0
91.05473	6.2
93.07038	5.2
95.04958	7.6
95.08617	5.6
97.06520	3.4
97.10183	1.3
99.08089	23.3
103.05460	12.0
105.07020	5.4
107.04969	2.1
107.08586	9.2
109.06499	2.6
109.10152	16.2
111.08047	2.4
115.05444	1.0
117.06969	1.3
119.08571	4.6
121.06518	2.7
121.10153	3.1
122.03658	1.8
123.08088	2.1
123.11679	1.5
125.09618	7.8
127.11160	1.6
128.06274	1.8
131.04918	15.3
131.08543	4.1
133.06488	1.7
133.10114	6.3
135.11650	4.0
137.05946	17.1
142.07747	2.0
143.08585	5.3
143.10666	4.5
145.10139	6.5
147.04309	1.1
147.11690	2.9
149.05840	1.1
149.09671	1.7
151.07600	1.3
151.11153	5.8
153.12727	2.4
155.08517	1.7
157.10152	2.9
159.11688	2.7
161.05975	4.9
163.07556	5.5
165.07080	1.4
165.12761	1.9
167.08516	1.5
169.10126	3.5
169.12213	2.3
171.08017	3.1
171.11641	2.2
171.13824	2.3
173.09608	4.3
173.13202	2.6
177.09103	1.3
179.08461	1.8
181.10150	2.3
182.10828	2.0
183.11711	2.6
185.09628	1.3
185.13251	2.4
189.09019	1.4
191.10680	1.3
191.14287	3.2
193.10173	2.8
195.11678	3.8
197.09598	2.0
197.13303	4.3
199.11150	2.4
207.08281	1.1
207.11575	1.7
209.13368	1.6
211.11185	2.3
211.14711	1.6
213.12682	1.9
215.14328	1.2
219.13846	1.8
221.13214	1.7
223.11122	2.0
225.12715	5.7
237.16420	2.9
239.14307	2.5
247.14899	1.4
249.28932	1.0
250.13551	2.5
251.14433	1.6
255.17410	1.5
265.15753	5.3
277.08591	1.5
281.15103	1.7
283.16925	16.7
299.16382	3.5
301.17950	100.0
302.18396	3.0
311.20148	2.6
327.12375	1.4
329.20947	9.1
339.19589	1.6
353.04819	16.9
353.20981	1.9
355.06433	6.0
357.20560	1.9
371.22263	1.4
391.26187	2.1
409.27264	16.9
427.28400	5.3
435.28741	2.5
445.29355	4.8
453.30145	7.1
471.30966	13.3
472.31586	1.3
489.31906	4.6
507.18323	22.4
508.18521	2.6
508.30121	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	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
67.05493	3.4
68.65025	1.1
69.03414	1.7
70.04063	3.8
77.03827	1.3
79.05482	5.2
81.07057	3.3
85.02892	2.5
85.06561	1.6
91.05473	21.7
92.10481	1.4
93.07035	3.9
93.75344	1.0
94.04170	3.6
95.04952	4.9
95.08610	2.2
95.34439	1.0
97.06525	1.5
103.05453	6.1
105.07011	6.8
107.04957	6.9
107.07188	1.3
108.05714	2.2
109.06506	1.6
115.05446	4.4
115.07549	2.8
117.07028	3.9
117.54355	1.2
119.04947	10.2
119.08597	1.3
121.06496	7.4
122.03602	8.3
123.08055	3.5
124.05191	1.1
128.06218	2.6
129.06996	7.5
131.04939	8.2
131.08546	2.2
133.02820	4.7
133.06499	3.9
133.10112	1.8
135.04420	2.0
135.08061	3.6
136.05196	3.0
137.05962	100.0
138.06291	2.1
141.07004	1.4
143.04892	2.7
145.06441	3.9
146.03622	1.8
146.07263	3.6
147.04395	2.1
147.08026	2.3
147.59244	1.3
148.05177	3.0
149.05962	5.3
149.09586	1.9
151.03889	3.3
151.07529	50.9
151.08743	2.8
153.06953	1.8
157.06476	4.9
159.04333	1.6
159.08031	2.4
160.05182	1.8
161.05965	65.1
161.09601	12.8
162.06430	1.2
163.07503	8.2
165.05551	1.8
165.07018	2.8
165.09099	5.2
167.07014	4.0
167.08530	2.2
167.10591	1.2
174.06773	4.8
175.07526	21.8
176.03439	2.3
176.07922	1.4
177.07066	1.3
177.09106	5.5
179.08524	2.2
181.06464	2.4
181.08672	1.8
187.07562	2.6
189.09082	35.5
191.07005	1.7
191.08571	2.4
191.10736	1.5
194.07198	2.3
195.08177	2.7
195.10101	16.1
199.07497	1.6
202.07755	2.1
205.06519	2.5
205.08591	2.4
206.07147	1.4
207.08119	2.9
207.10139	33.3
210.06712	1.4
211.07460	2.7
213.09111	3.5
219.08034	3.3
221.06012	2.0
222.06795	3.0
223.07556	1.9
223.11320	1.5
224.08182	2.1
225.09004	2.8
233.05811	1.7
234.06789	3.5
235.07523	3.5
237.09097	5.8
239.10553	1.6
240.07735	1.6
245.09590	1.6
247.07498	1.4
248.08188	1.6
249.09093	8.0
251.06906	2.3
251.10670	2.5
252.07729	1.8
253.08556	5.1
255.06448	2.1
255.10153	1.7
259.09717	1.5
261.09192	1.8
262.06210	1.7
262.09705	1.3
263.07037	2.5
263.10370	1.2
265.08560	11.1
266.09225	2.1
267.10205	3.5
269.07983	1.9
269.11713	1.3
270.08609	1.4
277.08536	8.7
277.11652	2.0
278.09198	1.5
279.06622	2.8
279.10071	4.6
280.07300	1.3
280.10953	1.7
281.08118	3.4
283.09552	7.9
283.12671	1.3
285.11230	7.9
291.10141	3.3
292.10651	1.5
294.08911	1.6
295.09534	6.0
296.10446	3.0
297.11194	13.6
299.12720	2.8
301.14444	2.1
305.11621	3.6
308.10464	2.0
309.11111	7.0
311.12787	14.5
313.10730	1.8
317.13974	2.8
321.11127	1.9
323.12726	9.4
327.12256	4.6
328.12897	7.5
329.13943	3.0
329.20999	3.4
337.14325	14.1
341.13782	2.7
349.14249	3.3
353.13705	2.8
355.15408	9.1
359.14822	2.1
367.15308	4.7
371.15070	2.1
372.11826	2.1
429.17340	1.4
433.36823	1.3
461.19177	1.6
479.20490	3.9
491.20203	1.5
509.21512	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	509.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01846	0.8
55.05500	2.0
57.03398	0.6
57.07021	0.3
59.04959	0.4
65.03888	0.5
67.05495	3.6
69.03371	0.9
69.07076	1.5
69.73195	0.8
69.73523	0.4
71.01333	0.3
71.04932	0.6
74.09069	0.3
79.05488	3.5
81.03419	2.5
81.07045	3.7
83.01245	0.4
83.04939	1.4
83.08554	1.2
84.81619	0.3
85.02869	1.0
85.06519	0.5
85.45618	0.3
91.05468	4.0
92.67995	0.3
93.07043	4.3
95.04968	2.4
95.08601	1.5
97.02843	0.4
97.06464	0.6
97.10134	0.6
98.22804	0.5
105.07014	2.4
107.04900	1.3
107.08576	2.6
109.06474	0.9
109.10165	1.5
111.04436	0.6
111.08055	0.7
117.06978	0.7
118.41953	0.4
119.08548	1.7
121.06474	0.7
121.10081	1.2
123.08029	0.6
123.11664	0.7
125.05926	0.4
125.09550	0.4
126.99979	0.5
129.06978	0.8
131.08466	0.9
133.10130	2.4
135.11647	1.3
137.05917	0.8
137.09601	0.3
143.08513	0.4
145.10112	1.8
147.08092	0.5
147.11630	1.0
149.09581	0.7
151.11166	0.6
153.12703	0.6
157.10043	0.8
159.11682	0.4
161.09520	0.5
163.11165	1.5
173.09589	0.5
173.13225	0.4
175.11040	0.4
177.12524	0.4
179.10608	0.4
181.12257	0.4
181.80089	0.3
185.04112	0.4
189.08949	0.3
191.10611	0.6
191.14220	0.4
193.12178	1.5
203.05228	1.4
207.10167	0.4
209.11667	1.4
211.13252	1.2
213.61339	0.4
225.11055	0.6
227.05200	0.6
227.12701	1.2
229.03284	0.3
243.04742	0.8
245.06306	5.9
261.18188	1.3
267.15991	0.6
271.04248	0.8
283.15439	1.1
287.03680	8.3
289.05264	100.0
290.05652	2.3
465.24524	4.1
491.21930	3.3
509.23541	29.3
510.23929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65757	0.8
53.03928	1.6
55.01838	2.8
55.05504	7.9
57.03399	2.4
58.75119	0.7
59.04974	1.1
67.05501	14.5
69.03419	3.7
69.07066	3.9
69.25842	1.7
69.26245	3.0
71.01295	1.0
71.04952	2.6
72.88758	0.8
79.05486	14.5
81.03408	12.0
81.07047	16.0
83.04972	5.8
83.08614	6.0
84.31888	0.8
85.02890	5.5
85.06506	1.4
91.04960	1.0
91.05473	15.1
93.07029	14.3
95.04951	9.5
95.08592	9.6
97.02863	2.0
97.06460	2.5
97.10101	3.4
99.04406	1.1
99.08044	1.4
105.06350	0.9
105.07011	12.1
107.04942	5.1
107.08584	10.0
109.02846	0.9
109.06501	4.6
109.10141	6.6
111.04413	1.9
111.08063	4.7
115.05362	1.3
117.06938	2.7
119.07891	0.8
119.08557	8.5
121.06438	2.6
121.10111	6.9
123.08039	1.9
123.11629	3.1
125.05939	0.8
125.09609	2.0
127.07518	0.9
128.06192	0.9
129.06912	2.3
131.08586	4.9
133.06467	1.5
133.10114	9.6
135.07971	1.7
135.11610	3.1
137.05910	1.7
139.07462	1.0
139.11131	1.2
143.08499	1.6
145.10106	4.6
147.07977	1.6
147.11667	3.8
149.09514	2.6
151.11174	4.4
157.10040	1.9
160.18422	0.8
161.09523	2.2
163.11177	4.4
165.08961	1.4
165.12671	1.0
169.10001	0.9
172.45021	0.7
173.09456	1.5
173.13052	0.8
175.11055	2.8
179.10687	1.6
181.12189	1.1
189.11160	1.5
191.10574	1.5
193.12207	8.6
197.11525	1.1
203.05150	3.1
207.10115	0.9
209.11588	3.4
211.13240	9.3
219.13702	1.2
223.80930	1.0
225.11084	1.3
227.05142	1.6
227.12625	2.5
243.04688	1.5
245.06258	6.6
267.15735	1.4
271.04041	1.0
281.13602	1.6
283.15271	1.5
287.03687	15.7
289.05261	100.0
290.05463	2.7
349.21130	0.8
367.22235	1.4
385.23325	1.1
400.22415	0.8
465.19104	1.0
465.24475	11.9
491.21997	5.8
509.22983	61.3
510.23434	2.6
513.56958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2748
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.96312	1.6
53.03947	9.8
55.01869	12.0
55.05507	46.7
57.03432	16.0
57.07066	3.6
59.05010	3.1
65.03938	3.9
67.05501	67.9
68.84476	1.7
69.03434	12.5
69.07067	18.0
71.01347	10.0
71.04987	12.7
71.42691	1.8
73.02910	2.3
77.03920	2.2
79.05488	60.8
81.03412	85.1
81.07050	66.1
83.01346	2.2
83.04977	25.2
83.08614	37.0
85.02899	37.2
85.06554	6.8
90.59039	1.6
91.05475	81.9
93.07040	51.7
95.04966	49.4
95.08590	23.2
97.02902	7.6
97.06542	9.2
97.10153	12.3
97.31947	1.7
99.00803	8.9
99.04475	4.6
99.08096	3.0
103.05455	3.1
105.04535	2.5
105.07023	65.7
107.04944	14.6
107.08582	32.9
107.09234	2.1
109.02870	7.9
109.06499	15.9
109.10146	40.4
109.10878	2.2
111.04443	7.2
111.08081	18.3
113.06023	6.5
115.05475	3.5
117.06981	10.7
119.08572	32.3
120.90424	1.6
121.06501	11.9
121.10147	17.5
123.04459	2.5
123.08059	10.8
123.11694	7.9
125.01523	1.8
125.05994	2.8
125.09618	9.7
127.03899	2.5
128.06293	5.0
129.06987	13.9
131.08549	19.0
133.06436	10.8
133.10120	67.1
135.08034	9.3
135.11745	4.6
137.05962	8.6
137.09653	5.8
139.07585	4.7
142.07800	3.5
143.08592	6.9
145.06543	2.0
145.10161	6.2
147.08052	7.5
147.11668	17.4
149.09598	11.8
151.07530	3.0
151.11189	24.0
153.01907	2.0
153.09145	2.1
157.10123	17.0
159.11789	2.1
161.09608	16.9
163.11232	6.2
165.09163	1.9
165.12782	4.0
167.07130	1.6
167.10741	1.9
169.12279	5.4
171.08083	3.2
173.13318	2.0
175.11176	16.1
179.10648	9.4
181.12135	1.8
189.09172	8.5
189.11205	2.6
189.12810	2.7
191.10751	2.2
191.14371	3.2
193.12216	73.8
194.12686	1.8
195.10088	2.1
197.11755	3.6
207.10196	3.8
209.11824	4.9
211.13269	86.5
215.12712	1.9
219.13905	3.8
219.91182	1.7
225.09067	2.5
225.11145	13.5
227.12749	3.4
243.12335	4.0
253.14432	2.5
261.05429	5.3
267.15848	8.9
273.17270	2.7
281.13922	5.4
293.17532	1.9
299.15088	5.1
367.22763	2.5
412.95581	1.8
459.27203	3.2
473.25403	2.3
491.26889	2.7
509.11072	5.1
509.20395	15.0
509.27563	100.0
510.27945	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2743
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.46483	1.0
52.49414	0.9
53.00306	6.1
53.03942	5.2
55.01861	9.9
55.05505	40.9
56.93867	0.9
57.03432	12.8
57.07071	1.3
59.04990	3.3
65.03935	3.5
67.05499	44.6
67.05864	2.2
69.03419	7.6
69.07059	10.2
71.01353	3.0
71.04984	8.2
72.53405	1.0
73.02910	1.5
77.03941	0.9
79.05485	40.6
81.03408	76.9
81.07047	54.7
83.04967	17.4
83.08611	36.5
85.02896	33.5
85.06542	3.2
91.05471	72.0
93.07035	38.2
95.04959	40.0
95.08599	16.2
97.02885	10.8
97.06522	8.1
97.10172	6.4
99.00807	25.1
99.01434	1.8
99.04475	1.8
99.08122	1.5
101.02382	1.2
103.05453	3.4
105.03372	0.9
105.04494	2.6
105.07020	53.8
107.04945	15.3
107.08582	19.5
109.02867	15.5
109.06494	8.8
109.10143	11.6
111.04419	4.7
111.08071	19.1
113.06030	3.4
115.03927	3.3
115.05432	2.2
117.07014	7.8
119.04913	2.1
119.08570	31.6
120.08865	1.0
121.02847	1.1
121.06490	14.5
121.10133	12.3
123.04386	2.4
123.08044	6.2
123.11714	4.2
125.09628	4.3
127.03906	4.6
128.06197	3.7
129.06999	14.0
131.08559	15.4
133.06499	5.8
133.10114	56.7
134.10460	1.4
135.08064	3.1
135.11723	2.9
137.06001	2.2
137.09637	3.6
139.07536	4.8
142.07776	3.1
143.08511	7.4
145.06519	2.9
145.10100	4.8
146.07272	1.1
147.08098	4.5
147.11642	13.7
149.09628	6.3
151.11154	17.8
153.06938	1.2
157.10095	15.0
161.09596	27.2
163.11172	4.1
165.09074	2.3
165.12781	3.3
171.08006	6.1
175.11151	17.7
178.68091	0.9
179.10643	16.1
179.12068	1.4
181.12143	1.1
189.09074	15.0
189.10953	1.5
193.12219	75.8
194.12512	2.4
197.11761	5.8
207.10109	7.2
209.11752	1.9
211.13264	85.8
212.13557	2.3
217.11783	0.9
219.13870	1.0
225.11212	18.6
227.12697	3.3
243.12308	3.2
249.15005	1.8
267.15854	6.0
281.13791	6.7
285.17065	1.2
287.03763	1.6
289.05304	1.2
299.14856	4.7
491.26648	2.5
509.27463	100.0
510.27597	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	509.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.1
53.03947	6.9
53.18768	1.9
55.01871	73.9
55.05509	70.6
55.05780	2.5
57.03436	20.6
57.07069	16.7
59.04995	9.4
65.03933	6.9
67.05500	85.0
67.05862	4.2
68.02632	4.1
69.03417	14.0
69.07065	28.2
70.04198	2.1
71.01350	5.6
71.04990	12.8
73.02906	7.4
74.00605	1.7
76.87216	1.9
77.03924	1.9
77.33373	1.9
78.99908	1.8
79.05489	100.0
80.05851	2.2
80.06280	3.7
81.03413	44.1
81.07051	81.1
82.04195	16.0
82.07375	2.3
82.07834	2.4
83.01345	14.4
83.04977	55.3
83.08616	33.3
84.02146	4.7
84.05752	1.7
85.02897	10.2
85.06539	5.4
87.04502	2.1
91.05476	74.3
92.06276	1.9
93.07039	88.8
94.04215	2.3
94.07832	2.5
95.04962	56.8
95.08602	39.2
97.02864	13.0
97.06525	31.4
97.10160	16.1
98.07309	22.8
99.04466	6.1
99.08115	3.2
100.05234	2.6
105.04541	6.8
105.07022	41.4
106.07827	2.7
107.04951	28.9
107.08587	50.6
107.40739	1.7
108.09425	2.3
109.02856	2.2
109.06510	25.8
109.10155	17.4
110.07286	2.5
111.04433	10.3
111.08087	11.6
113.06044	2.4
115.05450	3.9
116.04703	3.3
117.05511	4.6
117.07006	25.9
119.08574	41.5
120.09348	4.4
121.01663	1.9
121.06477	13.2
121.10131	23.3
123.04423	4.7
123.08073	32.1
123.11694	2.6
125.06012	6.3
125.09601	19.0
126.10413	2.6
127.11207	10.3
129.05498	2.7
129.06998	11.4
130.07782	5.9
131.04903	1.9
131.08554	20.3
133.06554	2.3
133.10120	20.4
135.08052	10.3
135.11687	37.5
136.08789	5.3
137.05994	4.3
137.09572	9.9
139.07539	4.2
143.08533	2.2
145.06477	4.8
145.10123	39.3
145.11230	3.5
147.08052	6.2
147.11694	12.7
149.09602	6.3
151.11183	4.9
153.09084	3.5
153.12764	9.1
155.08574	2.8
157.10149	8.1
158.05724	19.2
163.11172	70.8
164.11945	3.2
165.09142	2.6
165.12737	3.0
167.07022	3.4
171.06482	16.1
173.09604	8.9
175.11203	6.5
181.12180	12.2
184.07253	4.7
185.08072	4.8
191.10716	8.7
192.11359	1.9
193.12241	3.4
197.08136	2.7
199.09550	3.1
199.13217	3.5
201.14929	10.9
209.11722	22.8
210.12526	4.6
211.13281	3.4
225.11147	2.8
226.12001	6.7
227.12799	14.6
228.13527	2.6
241.14214	2.7
253.14189	2.8
255.15910	13.1
260.63968	2.1
267.15961	3.9
268.16693	2.9
281.17462	2.1
283.15350	11.6
284.16281	2.2
295.15463	4.9
305.21082	2.3
309.20340	3.3
311.22046	3.5
321.17035	4.1
337.16461	33.9
337.20047	2.9
351.18097	10.2
351.21677	2.2
365.19562	19.1
379.20981	5.1
379.25070	9.1
380.25296	2.6
393.22775	3.0
407.24460	3.2
408.25174	5.5
421.26065	2.1
463.26862	5.0
464.27347	3.2
491.26431	2.8
492.27521	6.2
509.27460	74.2
510.28226	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	509.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01854	19.7
55.05503	51.0
57.03448	16.3
57.07059	4.1
59.04997	3.5
67.05499	62.9
69.03418	7.7
69.07063	19.1
70.98182	4.4
70.98541	4.4
71.04987	20.6
72.33199	2.9
76.26756	3.1
79.05484	82.5
81.03401	30.7
81.07052	78.4
83.04984	20.7
83.08614	25.7
85.02886	8.7
85.06538	8.4
91.04932	6.1
91.05470	61.7
93.07039	75.1
95.04959	72.6
95.08594	32.8
97.02898	5.2
97.06503	10.5
97.10159	28.4
99.08077	3.8
100.54723	3.1
104.16728	3.4
105.04510	3.1
105.07009	36.6
107.04939	42.3
107.08582	42.2
109.06514	53.7
109.10149	23.3
111.04445	9.5
111.08102	7.6
115.05390	4.3
117.06989	19.9
119.08572	23.7
121.06486	24.8
121.10133	29.0
123.04400	4.4
123.08060	8.9
123.11701	7.8
125.09623	27.7
126.09989	3.3
129.06995	8.0
131.08554	28.2
133.06418	3.5
133.10120	10.4
135.08029	20.3
135.11652	9.5
139.11241	6.7
141.07042	4.9
142.07774	4.3
143.08565	8.4
145.06471	12.6
145.10077	19.2
147.08040	14.1
147.11685	11.9
149.09624	16.7
155.08528	5.1
157.10152	7.2
159.11668	7.5
161.09622	4.8
163.11157	27.3
167.10629	14.9
169.10143	5.8
171.11543	3.6
173.09569	6.7
173.13240	6.8
175.11226	5.7
177.12712	3.9
181.10062	3.6
181.12276	6.1
187.11195	3.9
187.14815	5.1
189.09058	2.9
189.11249	12.6
191.10654	5.8
191.14265	9.2
193.12262	13.4
199.13234	20.7
205.12238	6.8
209.11627	5.4
211.13329	11.0
213.12654	4.2
219.13799	31.1
223.13257	8.9
225.14792	6.2
227.12656	15.6
233.15323	14.7
237.14769	6.3
249.50171	3.3
261.18179	3.4
267.15826	7.7
273.14484	4.0
273.17038	11.8
275.16464	5.0
293.17447	22.5
331.25708	3.3
349.21738	18.2
357.24164	4.2
367.22659	36.5
385.23648	35.6
403.24759	9.2
417.26129	8.5
420.36935	3.3
423.23199	5.3
441.26398	8.4
447.23392	8.3
459.27280	30.4
460.27704	3.5
465.24493	40.3
477.28583	24.9
491.22354	42.3
491.29907	19.3
509.23288	100.0
509.30087	7.7
510.23639	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	510.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01870	1.9
55.05489	0.9
58.24594	0.8
60.78733	0.7
65.03936	2.9
67.05502	1.6
69.03439	4.8
70.67726	1.1
71.04977	1.6
79.05495	1.7
81.03401	5.7
81.07047	1.7
83.04975	1.2
83.08648	0.9
85.02896	11.8
87.00841	4.6
91.05469	100.0
92.05806	2.8
93.07030	1.5
95.04940	0.8
95.08602	1.0
97.02878	8.0
99.04435	2.0
100.11244	1.7
105.01873	5.1
105.07023	1.6
109.02863	4.9
109.10169	0.8
117.06980	1.0
122.43613	0.8
127.03905	12.0
127.66621	0.8
129.07022	0.8
131.08575	0.8
145.04922	6.5
149.09569	1.0
159.02853	2.9
167.03372	3.9
182.15314	0.9
199.07356	0.8
212.13402	0.8
212.30290	0.7
216.82101	0.8
223.24440	0.7
227.06944	1.4
231.05005	2.2
245.07930	1.2
330.59088	0.8
492.23038	0.9
509.40237	0.9
511.21469	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	510.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96372	1.7
52.97850	1.7
54.78277	1.5
62.88571	1.6
63.17069	1.5
70.13179	3.9
70.13535	1.8
73.02921	2.3
91.05467	7.5
98.23352	2.3
103.05458	7.5
113.31680	1.7
117.06973	2.5
119.04939	3.5
121.06516	4.9
122.03683	1.7
131.04910	14.4
137.05963	32.2
138.06323	1.9
151.07516	19.0
157.06595	1.8
161.05930	6.2
163.07513	38.0
167.07103	1.6
167.08453	2.8
175.07541	5.6
177.09093	100.0
189.09096	5.6
191.26343	1.7
195.08093	1.9
195.10167	2.6
221.11780	11.7
223.07457	2.5
227.10629	6.5
253.12340	2.0
255.10188	4.6
263.80408	1.6
265.08511	1.8
285.11301	2.4
287.12732	6.5
313.14365	5.3
331.15356	24.1
510.23529	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	510.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32611	1.0
57.03429	1.9
60.69028	1.0
70.55801	2.0
73.02901	3.3
78.59232	1.0
91.05471	3.6
93.07024	1.7
95.04931	1.2
97.06557	1.1
99.98003	1.0
103.05460	7.7
103.89066	1.0
107.08546	1.6
109.06544	2.1
114.23852	1.0
117.07030	2.2
119.04916	2.7
122.03642	2.1
131.04915	17.3
133.02837	5.3
133.10022	1.1
134.16283	1.3
135.07977	1.4
137.05960	25.3
138.06302	1.7
140.11958	1.0
151.07521	12.5
161.05978	1.9
162.06670	2.2
163.07526	34.7
164.07957	1.2
165.09149	1.7
167.08632	1.3
175.07489	3.1
176.97339	1.1
177.09088	100.0
178.09425	2.6
178.64644	1.0
180.24907	1.0
189.09100	3.4
195.08086	1.9
195.10213	3.1
207.10515	1.2
221.11702	12.3
225.09103	1.4
227.10664	3.6
253.08487	1.3
255.10173	2.9
285.11246	2.7
287.12738	5.1
299.12787	1.3
311.12781	2.3
312.90509	1.1
313.14212	4.7
331.15332	17.3
343.15363	2.1
359.15128	1.2
360.15045	2.4
499.69415	1.2
511.21335	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23995	2.9
50.75764	3.0
63.18695	3.0
69.07088	5.4
69.07497	15.1
79.05508	3.8
81.56753	2.5
85.02891	3.8
93.07034	3.6
93.37889	2.8
96.02959	2.5
108.36415	2.5
129.06996	6.8
131.08542	4.7
137.06013	4.9
141.06956	3.4
146.61453	2.5
151.11208	4.1
157.06493	5.6
159.08035	4.9
161.05977	3.5
174.06764	10.8
189.09042	22.7
198.62886	2.7
201.09082	8.7
203.10759	5.0
219.10141	100.0
220.10448	3.8
460.28894	2.9
511.17624	4.7
535.31128	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	510.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61753	3.1
61.18890	2.8
69.54533	8.6
69.54943	7.5
77.38612	3.0
80.60865	3.2
81.07058	4.3
93.07029	2.8
98.23422	3.4
112.80834	2.9
120.37138	3.0
124.36356	3.4
129.06972	4.0
131.08572	3.3
131.42259	3.2
137.05945	3.2
141.07002	4.5
157.06552	4.1
159.08078	5.7
174.06773	10.4
175.07643	4.5
189.09050	22.1
201.09052	10.3
219.10141	100.0
418.39154	3.4
511.17444	4.8
530.39172	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
55.05501	3.1
57.03429	4.8
67.05492	1.9
69.03425	13.7
69.07080	1.5
69.37502	5.3
75.04474	5.0
79.05489	16.0
81.03405	11.0
81.07040	4.7
85.02905	7.5
91.05467	15.6
93.07040	87.4
95.04958	6.2
95.08607	4.1
97.02908	8.1
97.06525	1.8
97.99279	1.5
99.04464	1.9
100.11246	3.2
103.05441	1.6
105.04517	3.6
105.07024	9.2
107.04970	3.0
107.08585	12.0
109.02863	3.6
111.04421	3.5
111.08067	3.5
119.04887	1.4
119.08582	20.8
121.06473	3.1
121.10139	100.0
122.10479	2.8
123.08051	3.5
123.11770	1.5
124.97003	1.3
125.05970	1.7
127.03900	5.4
129.05598	1.7
131.08560	6.6
133.10091	1.8
137.05925	1.7
139.11150	2.4
145.04903	3.3
145.10062	1.8
147.04398	8.1
149.09604	31.8
159.31891	1.5
167.10669	25.1
181.10068	1.6
199.07393	1.7
205.67732	1.4
210.14836	1.6
264.14981	1.6
293.13803	12.3
310.74203	1.5
311.14835	20.6
510.23892	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13807	3.8
63.68251	4.1
67.26221	3.9
69.03408	4.6
69.88559	13.7
69.88918	4.7
81.07026	6.1
82.73735	4.3
91.05472	12.1
93.07011	5.3
94.13599	3.9
95.04972	5.4
98.53130	3.8
107.08580	5.3
109.06521	4.9
119.04951	4.8
121.10110	6.5
127.03909	4.6
129.06979	8.4
131.08580	8.5
135.87343	4.2
137.05939	29.7
138.06300	10.6
151.07555	14.3
152.07840	6.3
153.01826	5.1
157.06497	5.7
158.07022	4.5
159.07993	8.9
161.05966	16.6
161.09566	6.1
162.06325	7.9
163.07462	5.8
174.06763	13.6
175.07571	7.2
189.09059	35.3
190.09489	9.5
191.10458	4.4
198.08472	4.3
207.10130	10.4
208.10544	7.4
219.10132	100.0
219.12106	8.2
262.46875	4.1
287.61380	4.3
297.11118	6.6
312.13251	5.8
330.21332	9.8
355.10193	5.1
356.15588	5.1
510.23001	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64720	2.8
62.90339	2.7
69.03418	4.9
69.31843	11.5
73.02907	3.4
76.99825	2.6
81.03394	4.1
85.02901	12.2
91.05476	8.4
95.04942	2.8
97.02905	5.3
99.73259	2.8
103.05461	4.5
105.06997	3.3
115.05467	4.0
117.06982	2.5
119.04946	7.0
127.03880	3.6
128.06197	3.7
129.07005	30.2
131.04971	3.4
135.61891	3.5
137.05975	59.2
138.06314	9.8
141.07008	2.6
145.04984	2.7
145.06456	4.6
149.05882	2.4
151.07538	31.1
153.01843	3.4
157.06491	29.2
161.06007	14.4
161.09625	4.6
162.06317	2.8
163.07550	10.3
165.06995	3.0
167.08528	4.1
174.06752	17.2
175.07504	11.5
177.09119	5.6
189.09102	100.0
190.09422	4.1
195.07962	3.6
198.88719	2.7
207.10144	53.1
208.10597	4.0
209.09557	2.8
227.10698	7.0
253.08432	3.7
255.09996	3.7
266.09024	2.6
267.05734	3.3
285.11090	3.4
287.12848	14.3
297.11072	2.8
312.13007	2.8
313.14307	22.1
331.15378	38.8
338.14664	3.8
349.79846	2.5
376.24133	2.5
380.35934	2.9
510.20020	15.2
511.18002	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	510.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64720	2.8
62.90339	2.7
69.03418	4.9
69.31843	11.5
73.02907	3.4
76.99825	2.6
81.03394	4.1
85.02901	12.2
91.05476	8.4
95.04942	2.8
97.02905	5.3
99.73259	2.8
103.05461	4.5
105.06997	3.3
115.05467	4.0
117.06982	2.5
119.04946	7.0
127.03880	3.6
128.06197	3.7
129.07005	30.2
131.04971	3.4
135.61891	3.5
137.05975	59.2
138.06314	9.8
141.07008	2.6
145.04984	2.7
145.06456	4.6
149.05882	2.4
151.07538	31.1
153.01843	3.4
157.06491	29.2
161.06007	14.4
161.09625	4.6
162.06317	2.8
163.07550	10.3
165.06995	3.0
167.08528	4.1
174.06752	17.2
175.07504	11.5
177.09119	5.6
189.09102	100.0
190.09422	4.1
195.07962	3.6
198.88719	2.7
207.10144	53.1
208.10597	4.0
209.09557	2.8
227.10698	7.0
253.08432	3.7
255.09996	3.7
266.09024	2.6
267.05734	3.3
285.11090	3.4
287.12848	14.3
297.11072	2.8
312.13007	2.8
313.14307	22.1
331.15378	38.8
338.14664	3.8
349.79846	2.5
376.24133	2.5
380.35934	2.9
510.20020	15.2
511.18002	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	510.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.05501	14.4
55.12582	3.6
56.56079	3.3
67.05502	44.5
67.92140	3.7
69.07060	12.3
69.91721	13.2
79.05488	50.6
81.03395	6.1
81.07047	44.7
83.04961	10.1
83.08617	13.8
89.06028	5.8
91.05486	30.7
91.05957	4.5
93.07038	65.0
95.04955	17.1
95.08596	18.2
97.06529	5.8
105.07026	28.9
106.00883	3.9
107.04951	4.8
107.08586	20.4
109.06502	5.3
109.10147	4.4
117.06990	9.4
119.08565	15.6
121.10149	7.5
129.07040	4.7
131.08592	6.3
133.10110	6.8
143.08603	5.1
147.11649	17.6
149.09584	4.3
149.13263	13.7
159.11684	4.7
161.09514	3.8
161.13268	5.5
171.11684	13.4
189.12762	6.4
195.13890	5.5
207.13846	19.9
211.13614	4.4
211.56305	4.5
259.15692	3.8
269.17392	41.2
281.17383	33.3
300.72488	4.3
475.30536	100.0
511.33173	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	510.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70241	26.6
67.05481	45.9
69.07072	23.6
69.65500	100.0
71.00937	28.7
79.05476	72.3
81.07028	75.8
91.05484	33.6
93.07039	59.6
94.77558	25.9
110.77927	24.8
110.78738	25.1
165.81497	27.6
214.76848	29.9
272.34888	28.2
325.12320	33.8
326.98016	30.3
401.50082	26.7
475.30365	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3547
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
56.05024	1.6
57.07085	3.4
58.06591	1.3
60.07871	1.0
60.08158	17.5
67.05502	1.0
69.07047	0.9
71.07368	7.2
71.08621	2.8
81.07041	1.2
83.08624	0.9
85.10169	0.8
86.09701	48.2
87.10008	0.9
95.08543	1.1
97.10197	0.9
98.23461	2.3
98.98431	3.9
104.10735	100.0
105.11074	1.3
124.99992	28.4
156.21992	0.7
184.07329	95.1
239.23663	0.9
243.02808	0.7
258.10995	1.4
275.09195	0.8
313.27454	1.0
327.28946	1.9
351.47964	0.8
423.45782	0.7
433.27319	0.9
492.34366	9.6
504.09799	0.8
510.35510	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.4
57.03433	6.4
57.07073	78.8
58.38824	5.8
59.42693	4.7
61.15478	4.5
67.05514	28.2
69.03414	7.8
69.07070	17.2
71.08633	80.7
71.42373	7.1
78.21323	5.4
79.05488	6.3
81.03425	7.1
81.07055	42.6
83.08631	32.9
85.02898	20.0
85.10165	28.6
86.09678	10.4
89.05997	9.1
91.05519	5.6
95.08594	65.5
97.02857	13.6
97.10152	18.6
104.10741	30.1
109.10167	27.4
123.11702	9.4
124.99992	6.0
127.03913	17.8
137.13322	5.5
139.07098	5.8
145.04950	12.2
184.07343	34.0
200.97391	4.9
239.23685	67.9
313.27295	100.0
331.28278	13.9
383.27927	25.5
401.29056	47.1
469.23508	6.0
485.75525	5.6
510.35928	13.6
514.19495	6.4
530.43732	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	511.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.5
69.81161	3.8
70.06604	1.2
77.42229	0.9
80.05018	1.1
81.03414	2.3
83.06110	1.1
84.03012	4.2
85.36327	0.9
92.26075	1.0
98.22861	1.9
99.04473	1.8
100.02483	8.0
102.04043	8.4
112.02521	1.4
118.03505	13.3
118.33636	0.9
120.05079	1.3
123.04071	3.7
124.02479	2.1
125.05614	1.0
126.04045	1.8
130.03517	1.3
132.05006	2.1
132.44153	1.0
136.04550	4.6
141.05095	17.3
142.03503	4.6
143.06659	22.4
144.05057	2.6
155.06642	1.2
159.06123	9.9
160.04517	1.8
161.07730	22.7
161.09084	1.5
169.04503	4.9
173.07709	1.1
179.06648	1.0
181.04640	2.0
182.06554	1.2
183.06169	4.6
187.05627	37.1
191.47084	1.0
194.07732	1.0
195.06203	2.3
199.05602	12.0
199.09412	1.1
205.06667	21.8
205.08218	1.3
206.07866	2.3
207.06122	5.8
208.09277	7.0
209.07741	7.8
213.07260	2.0
217.06805	5.6
221.07870	1.6
223.09387	1.3
225.07095	2.7
226.06729	4.4
226.10310	11.5
227.08751	3.3
239.08754	5.7
240.08395	1.7
244.07826	15.3
245.06154	16.5
245.08365	1.5
252.08266	14.8
253.06688	3.0
254.09979	1.8
263.07254	2.9
267.08133	6.2
270.09415	9.5
271.07562	1.3
279.09320	1.9
280.07767	2.2
281.07172	1.3
285.09360	7.1
297.10437	37.8
298.08762	47.7
299.09344	2.0
315.11459	100.0
316.10013	4.4
365.11890	1.1
379.11301	1.4
395.14075	5.2
396.12442	5.8
413.15240	10.0
420.87790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37516	0.5
53.38765	0.5
58.24880	0.6
69.03423	2.7
69.80392	1.9
70.06605	0.6
80.05014	0.6
81.03410	2.2
82.01448	1.1
83.06100	1.3
84.02989	2.4
95.55029	0.5
97.11485	0.5
98.06049	0.7
98.23447	0.9
99.04459	1.3
100.02486	4.1
102.04037	5.6
112.02450	0.7
114.04019	1.2
116.05593	0.7
116.07090	0.6
118.03500	9.3
120.05079	0.9
123.04047	3.0
124.02505	0.7
125.05637	1.1
126.03973	0.8
130.03487	1.9
132.05032	1.3
134.03220	0.6
134.06645	0.5
136.04546	4.1
141.05086	13.0
142.03482	3.8
142.05212	0.5
143.06641	17.7
144.05020	2.8
150.06137	1.2
151.04778	0.9
155.06601	1.3
159.06131	7.4
160.04543	2.2
161.07706	18.4
162.06172	1.1
165.05214	0.6
169.04533	3.5
173.07710	0.8
179.06668	0.6
181.04767	1.2
181.08183	1.5
183.06111	3.2
187.05620	27.2
188.05728	0.7
191.06635	1.0
195.06145	2.2
198.10884	0.7
199.05609	13.8
199.09404	1.2
201.07224	0.8
205.06660	15.2
205.08432	1.1
206.07733	3.8
207.06085	5.4
208.09271	6.0
209.07697	5.6
213.82700	0.5
217.06688	4.9
221.07686	1.8
223.09274	2.3
224.08835	1.3
225.07198	2.1
225.11852	0.6
226.06914	3.5
226.10344	8.9
227.08757	3.9
234.07249	1.4
235.05602	1.2
239.08723	2.9
240.08307	1.1
241.06709	1.6
244.07780	13.2
244.11543	1.1
245.06165	12.7
246.06184	0.8
251.09930	0.9
252.08278	14.6
253.06691	2.3
254.09837	1.3
259.07755	0.8
263.07211	2.5
267.07950	3.1
270.09314	6.8
271.07620	0.9
272.10776	0.8
279.09393	2.4
280.07614	2.6
285.09344	5.1
297.10400	38.0
298.08768	50.8
299.08893	2.1
315.11447	100.0
316.10022	4.9
365.11649	0.7
367.10342	0.7
378.11243	0.7
382.14270	0.8
395.14084	5.3
396.12418	6.5
413.15158	8.7
511.18506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01873	2.1
55.05510	7.9
57.03430	3.1
59.04984	1.2
64.79280	1.1
67.05504	18.7
68.25441	1.3
69.03419	12.5
69.07060	7.4
69.42657	2.9
69.43046	2.4
71.04996	9.0
73.02914	3.1
76.55174	1.2
79.05484	24.2
81.03409	11.5
81.07058	23.8
83.04980	8.3
83.08622	7.1
83.66277	1.3
85.02901	6.1
85.06547	3.0
91.05489	17.5
93.07043	17.2
95.04960	13.8
95.08601	10.7
97.02879	11.1
97.06544	4.0
97.73661	1.3
99.04450	2.8
105.04501	1.5
105.07021	15.1
107.04943	10.4
107.08593	37.1
109.02880	7.0
109.06508	5.9
109.10149	9.1
111.04455	4.4
111.08099	2.3
113.06004	5.3
114.80063	1.2
115.05439	2.1
117.07021	3.8
119.04917	2.0
119.08592	10.0
121.06513	4.6
121.10146	15.2
122.07263	3.7
123.04458	3.0
123.08060	5.6
123.11681	2.1
125.09640	2.5
127.03886	6.0
129.07011	3.4
131.08565	8.5
133.10124	52.0
134.10432	1.5
135.08043	10.2
135.11681	4.4
137.05966	2.0
137.09608	31.6
139.11174	1.9
141.05496	4.0
141.09074	1.7
143.08496	1.5
145.10106	4.5
147.04376	2.1
147.11707	5.2
149.09644	5.1
149.13239	7.4
151.00731	1.3
151.11157	2.7
153.01819	2.3
157.10101	3.1
159.06532	23.6
159.11667	1.3
161.09740	1.5
163.11172	3.1
173.09683	2.0
173.13266	5.6
175.11191	2.1
181.10042	2.7
181.12338	1.5
181.27242	1.3
182.10455	1.7
191.14291	100.0
192.14665	1.8
193.12173	8.2
209.11720	3.5
209.15396	4.7
211.13258	7.2
227.12874	1.3
231.08659	1.9
267.08554	3.7
283.15253	2.9
285.09766	4.7
305.06757	1.4
344.84528	1.3
352.39526	1.3
354.39011	1.3
493.28046	2.5
511.19589	2.4
511.28879	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.0
55.01868	28.7
55.05506	45.4
55.80036	2.4
56.05811	2.5
57.03435	23.0
57.07073	4.9
59.05021	2.4
65.03931	7.4
67.05502	96.8
69.03416	15.5
69.07066	27.1
71.04993	15.8
73.02904	3.6
75.61395	2.4
77.03951	2.9
78.39675	2.4
79.05487	100.0
80.05817	2.6
81.03412	99.0
81.07050	93.5
82.07402	3.4
83.04973	54.9
83.08607	35.7
85.02904	42.5
85.06540	7.1
91.05476	87.2
93.07037	88.8
94.07351	4.0
95.04958	63.8
95.08018	3.9
95.08598	57.2
97.02888	13.2
97.06525	24.4
97.10174	12.7
97.46140	2.2
98.22599	4.5
99.04461	7.4
99.08060	5.6
103.05431	2.4
105.04566	5.2
105.07021	67.8
107.04952	34.5
107.08581	55.9
109.02859	3.8
109.06519	15.9
109.10159	23.3
111.04430	53.4
111.08079	25.1
113.06046	4.6
115.05457	6.3
117.07011	22.1
118.93098	2.5
119.08576	57.5
121.06506	11.7
121.10127	57.5
122.10435	2.4
123.04418	3.5
123.08054	24.8
123.11681	8.2
125.05994	7.1
125.09641	6.7
127.03886	3.2
128.06218	3.9
129.06985	23.3
131.04895	4.8
131.08557	33.4
133.06500	6.9
133.10118	60.7
135.04449	2.8
135.08041	10.7
135.11679	28.2
137.05988	8.2
137.09610	23.9
139.11171	5.8
141.09081	18.9
142.07733	4.7
143.08566	6.8
145.06462	6.4
145.10100	34.0
147.08075	7.8
147.11691	28.7
149.09621	25.4
149.13225	4.3
151.11215	4.7
153.01799	4.6
153.12738	21.1
155.08571	7.8
157.10130	21.1
159.11732	3.2
161.13286	3.5
163.11169	51.2
165.09079	5.0
165.12848	5.8
169.10141	4.9
170.32230	2.7
171.11620	2.9
173.09605	17.3
173.13330	3.7
175.11179	19.4
181.12199	31.2
189.11200	4.4
189.12785	3.8
191.10666	32.9
191.14343	14.0
193.12224	86.8
207.13689	3.2
209.11707	27.2
209.15280	4.1
211.13272	96.0
227.12733	32.0
230.86838	2.6
231.13826	3.2
249.14989	4.2
253.14330	2.8
265.14346	29.4
267.15970	17.6
275.19968	2.8
283.15372	30.7
285.16904	7.3
301.16351	3.0
337.21494	2.4
349.23642	3.9
355.22696	3.5
373.23868	3.3
383.22107	4.5
391.24850	3.1
401.23279	7.5
419.24362	6.5
457.25623	3.8
475.27133	12.2
493.27930	21.4
511.29602	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.7
55.01865	56.0
55.05508	45.8
56.10699	1.6
57.01081	1.5
57.03434	28.2
57.07072	16.8
59.05000	3.1
61.48733	1.5
65.03949	5.2
67.05497	73.8
69.03425	17.3
69.07057	22.6
69.78848	5.9
70.04211	3.0
71.01359	2.5
71.04985	13.5
73.02920	4.5
77.03951	4.0
79.05486	87.6
80.06283	2.4
81.03412	100.0
81.07050	73.8
82.04190	12.0
83.04974	43.9
83.05430	3.1
83.08611	41.9
84.02090	1.7
84.05755	2.8
85.02898	44.6
85.03416	2.7
85.06554	4.4
88.49374	1.6
91.05473	81.4
93.07039	51.9
93.07595	3.0
94.07850	2.0
95.04960	60.8
95.08598	29.8
96.96464	1.6
97.02891	11.4
97.06538	21.9
97.10168	14.5
98.07314	17.3
99.04486	2.5
99.08107	4.0
100.12518	1.4
103.05520	1.4
105.04536	5.2
105.07021	52.6
107.04932	17.6
107.08579	25.8
109.06507	9.9
109.10143	14.4
111.04441	7.8
111.08073	26.2
113.06021	6.5
115.05453	2.4
116.04739	4.5
116.06255	2.5
117.07021	10.2
119.08569	43.5
121.06538	6.6
121.10136	18.9
123.08054	13.5
123.11691	3.8
125.09618	17.4
125.10356	1.6
127.07570	2.2
127.11196	8.1
129.05490	4.9
129.06989	22.2
131.08554	23.7
133.06523	4.8
133.10120	22.9
133.10988	1.8
135.08107	4.8
135.11737	5.5
136.08882	2.9
137.09648	6.1
139.07549	4.3
142.07814	5.1
145.10185	6.4
147.08116	6.5
147.11659	25.7
147.12657	2.0
149.09630	12.8
153.09109	2.9
153.12769	2.1
157.08832	3.8
157.10120	28.3
158.05727	14.8
158.10518	1.7
159.06490	2.2
161.09686	2.7
163.11241	5.7
164.11940	3.8
165.12834	6.2
171.06496	22.5
175.11157	32.5
181.12260	4.7
185.08067	11.3
189.11232	3.5
191.10672	3.6
192.11366	2.5
193.12219	95.0
194.12621	3.1
199.09677	7.6
199.13356	8.3
201.13249	1.8
201.14948	7.3
209.11778	5.6
210.12581	2.7
211.13272	99.2
212.13510	2.1
213.11307	4.5
227.12747	14.1
227.14357	1.4
241.14424	3.8
242.15237	6.5
243.16103	2.4
255.15898	15.4
266.10178	1.6
267.15860	7.6
269.17587	3.8
283.15570	3.8
283.19083	3.6
285.16989	12.4
289.05463	2.7
298.17914	6.3
301.16531	2.9
311.18686	6.6
311.22366	8.5
325.20212	4.1
325.23874	4.4
326.21182	1.7
326.24789	4.8
339.18179	17.8
339.21851	9.3
353.19739	4.4
353.23438	2.3
367.20819	8.8
381.22699	2.3
382.27206	7.5
409.25922	5.0
437.25418	2.2
465.28522	3.1
475.26822	2.4
476.27972	3.0
493.28110	4.4
494.28958	7.3
511.29245	59.6
512.29901	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	511.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27565	5.4
55.01875	9.1
55.05508	20.1
59.05003	5.5
67.05494	18.3
69.03426	11.5
69.07062	19.4
69.35532	23.0
79.05484	16.7
81.07040	20.6
83.04975	9.5
83.08617	24.1
85.02934	5.1
85.06554	9.3
91.05473	17.3
93.07037	32.4
95.04952	57.8
95.08598	100.0
97.06515	16.4
97.10132	5.5
98.23141	19.4
105.07021	34.6
107.04935	6.0
107.08577	31.0
109.06526	16.8
109.10129	10.8
111.08058	32.7
113.09631	39.9
115.05488	5.9
117.06993	8.8
119.08573	19.6
121.06509	11.2
121.10123	51.6
123.08055	17.8
123.11727	6.6
125.09621	7.1
128.06226	5.2
129.07008	7.0
131.04884	8.7
131.08539	26.4
133.06493	4.5
133.10109	11.5
135.04401	12.4
135.08060	8.9
137.05998	17.3
137.09589	5.7
139.11177	40.7
141.06998	5.6
141.12756	11.9
142.07780	6.6
143.08534	22.8
145.06461	8.4
145.10136	12.6
147.08011	18.3
149.06001	5.7
149.09595	7.5
150.52956	4.5
151.07562	7.3
153.01825	10.5
153.07057	4.3
155.08580	12.4
157.09013	4.7
157.10081	22.0
157.12177	26.9
159.08075	12.5
159.11708	12.1
161.05991	5.2
161.09641	14.5
163.07578	5.7
167.06877	6.0
169.10152	10.3
171.08083	26.1
171.11681	10.1
173.09610	16.2
175.11166	5.1
179.08574	9.5
179.14272	13.7
181.10120	10.1
183.11719	11.4
185.09596	13.7
187.07533	5.5
189.09131	29.4
191.10744	5.4
195.10065	5.6
195.11676	9.7
197.09621	10.1
197.13290	6.1
199.11122	25.9
201.12682	13.9
203.10629	9.1
207.10130	11.7
207.11789	7.4
207.32408	5.0
209.13190	10.7
211.11179	9.1
213.12749	11.3
219.11745	6.2
221.13268	13.6
223.11163	13.0
223.14783	5.7
225.12732	10.3
227.10712	6.5
227.14333	22.7
229.12332	8.8
231.13870	9.6
237.12703	7.4
239.14336	8.8
241.12344	6.6
241.15761	5.7
243.13887	6.2
247.13034	5.8
249.16261	5.9
251.14218	10.1
253.12271	8.1
253.15880	10.2
255.13940	7.9
257.15356	8.0
263.14343	12.3
267.17371	8.4
269.15292	7.3
271.16913	8.5
273.14828	13.1
281.15323	29.1
281.18295	6.5
283.16922	16.3
285.18478	6.9
291.17365	11.0
295.17032	9.3
297.14755	10.5
299.16342	13.6
301.17920	9.0
309.18417	23.5
311.20108	10.0
313.17844	11.4
317.17459	5.7
327.19467	23.9
337.17889	16.3
351.19537	8.0
355.18912	23.2
357.20392	5.7
357.24219	13.2
369.20563	8.7
373.20068	6.8
403.21606	5.2
421.27313	14.8
439.29156	44.7
457.29880	48.0
475.31174	29.7
493.31903	6.6
511.33279	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27565	5.4
55.01875	9.1
55.05508	20.1
59.05003	5.5
67.05494	18.3
69.03426	11.5
69.07062	19.4
69.35532	23.0
79.05484	16.7
81.07040	20.6
83.04975	9.5
83.08617	24.1
85.02934	5.1
85.06554	9.3
91.05473	17.3
93.07037	32.4
95.04952	57.8
95.08598	100.0
97.06515	16.4
97.10132	5.5
98.23141	19.4
105.07021	34.6
107.04935	6.0
107.08577	31.0
109.06526	16.8
109.10129	10.8
111.08058	32.7
113.09631	39.9
115.05488	5.9
117.06993	8.8
119.08573	19.6
121.06509	11.2
121.10123	51.6
123.08055	17.8
123.11727	6.6
125.09621	7.1
128.06226	5.2
129.07008	7.0
131.04884	8.7
131.08539	26.4
133.06493	4.5
133.10109	11.5
135.04401	12.4
135.08060	8.9
137.05998	17.3
137.09589	5.7
139.11177	40.7
141.06998	5.6
141.12756	11.9
142.07780	6.6
143.08534	22.8
145.06461	8.4
145.10136	12.6
147.08011	18.3
149.06001	5.7
149.09595	7.5
150.52956	4.5
151.07562	7.3
153.01825	10.5
153.07057	4.3
155.08580	12.4
157.09013	4.7
157.10081	22.0
157.12177	26.9
159.08075	12.5
159.11708	12.1
161.05991	5.2
161.09641	14.5
163.07578	5.7
167.06877	6.0
169.10152	10.3
171.08083	26.1
171.11681	10.1
173.09610	16.2
175.11166	5.1
179.08574	9.5
179.14272	13.7
181.10120	10.1
183.11719	11.4
185.09596	13.7
187.07533	5.5
189.09131	29.4
191.10744	5.4
195.10065	5.6
195.11676	9.7
197.09621	10.1
197.13290	6.1
199.11122	25.9
201.12682	13.9
203.10629	9.1
207.10130	11.7
207.11789	7.4
207.32408	5.0
209.13190	10.7
211.11179	9.1
213.12749	11.3
219.11745	6.2
221.13268	13.6
223.11163	13.0
223.14783	5.7
225.12732	10.3
227.10712	6.5
227.14333	22.7
229.12332	8.8
231.13870	9.6
237.12703	7.4
239.14336	8.8
241.12344	6.6
241.15761	5.7
243.13887	6.2
247.13034	5.8
249.16261	5.9
251.14218	10.1
253.12271	8.1
253.15880	10.2
255.13940	7.9
257.15356	8.0
263.14343	12.3
267.17371	8.4
269.15292	7.3
271.16913	8.5
273.14828	13.1
281.15323	29.1
281.18295	6.5
283.16922	16.3
285.18478	6.9
291.17365	11.0
295.17032	9.3
297.14755	10.5
299.16342	13.6
301.17920	9.0
309.18417	23.5
311.20108	10.0
313.17844	11.4
317.17459	5.7
327.19467	23.9
337.17889	16.3
351.19537	8.0
355.18912	23.2
357.20392	5.7
357.24219	13.2
369.20563	8.7
373.20068	6.8
403.21606	5.2
421.27313	14.8
439.29156	44.7
457.29880	48.0
475.31174	29.7
493.31903	6.6
511.33279	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3263
Annotation	Palythoalone A
Peak:m/z	Relative Intensity
55.05505	4.4
57.07073	20.8
60.25418	1.4
65.17793	1.4
67.05489	4.3
69.03425	1.8
69.07053	2.8
69.82700	1.2
70.50343	2.0
79.05487	7.6
79.86884	1.3
81.07041	12.3
83.04958	2.0
83.08614	8.3
91.05475	5.8
93.07030	11.3
95.04963	3.5
95.08591	7.1
97.06517	2.4
99.04445	1.6
99.08121	3.2
105.07019	7.1
107.04952	1.7
107.08601	10.8
109.06492	7.3
109.10163	5.2
111.08054	8.5
113.09625	2.8
117.07001	3.0
119.04927	1.7
119.08537	6.5
121.06493	3.7
121.10153	8.0
123.08053	15.0
125.09600	2.7
127.07542	29.0
127.11163	4.1
129.07018	2.0
129.09085	2.9
131.08582	7.8
133.10120	5.8
135.08057	3.4
135.11674	3.2
137.05928	2.2
137.09593	4.8
139.11186	1.8
143.08507	3.9
145.10117	13.3
147.08069	4.2
147.11682	2.6
149.09558	3.7
153.01859	1.9
155.08542	3.0
155.10680	8.9
157.10164	2.2
159.08064	2.7
159.11681	5.9
161.09651	3.3
161.13182	1.2
169.10159	2.6
171.08040	3.7
173.09651	9.8
173.11856	2.5
173.13269	4.5
175.11171	1.8
177.12723	35.1
183.11687	2.1
187.11104	3.2
189.09102	2.4
191.10652	3.6
197.13313	2.4
199.11119	2.1
201.12648	2.5
205.12218	1.8
209.15320	6.1
213.12643	2.3
215.14250	3.8
217.12309	1.5
219.13795	3.7
225.12759	3.5
227.14426	1.7
229.12230	2.0
231.13826	5.5
237.16357	1.9
247.13295	2.6
249.14905	5.9
265.15839	4.8
283.16919	4.0
285.18530	3.9
293.18790	2.5
295.20673	1.3
301.17926	5.0
303.19543	5.9
311.20013	2.9
313.21585	1.4
319.19104	1.4
329.21127	3.7
331.22742	2.8
339.19476	5.5
347.22208	2.2
353.20996	3.1
357.20544	6.3
371.17453	3.2
371.22153	62.8
372.22501	3.7
373.23572	3.0
375.21756	1.7
399.25150	5.5
403.75546	1.4
421.27350	4.8
439.28531	16.5
457.29465	100.0
458.29697	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	511.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05970	0.2
51.17125	0.2
52.83535	0.2
55.01875	0.3
55.05499	0.8
57.03423	0.4
57.07063	0.3
67.05493	1.4
67.23732	0.2
69.07059	0.5
69.19505	1.2
70.06576	0.4
71.04983	0.3
71.49359	0.2
79.05485	0.9
81.03403	0.6
81.07065	1.0
83.08619	0.4
91.05477	0.9
93.07046	1.0
95.04964	0.4
95.08616	0.3
97.06529	0.2
105.07029	0.9
106.83353	0.2
107.08588	0.5
109.10128	0.3
119.08552	0.4
121.10193	0.4
131.08571	0.3
132.10191	0.3
133.10117	0.5
135.11629	0.3
147.11732	0.3
149.02332	2.0
149.03435	0.3
149.09625	0.2
150.02647	0.7
163.11169	0.3
193.04910	1.8
193.12303	0.8
194.05325	1.2
211.13309	0.4
237.07515	2.5
238.07848	1.4
300.28983	0.7
301.29303	0.8
379.52216	0.2
383.22321	0.3
459.27573	0.3
467.34964	5.4
468.35834	0.3
511.33936	100.0
512.34241	5.7
529.35150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03430	0.8
60.92107	0.4
62.08419	0.5
67.05491	2.4
69.03439	0.4
69.07066	0.6
71.04990	1.0
74.27496	0.4
79.05494	2.1
81.03419	2.3
81.07057	3.0
83.04992	1.1
83.08580	0.9
85.02901	1.1
91.05481	2.2
93.07034	2.2
95.04969	1.8
95.08615	0.8
97.10160	0.5
101.70331	0.5
104.47083	0.5
105.07037	2.0
107.08591	1.3
109.10152	0.6
113.05961	0.5
113.25696	0.5
117.06965	0.5
119.08555	0.6
121.10155	1.2
123.08039	0.5
125.09721	0.5
128.05962	0.5
129.06972	0.7
131.08571	0.8
133.10124	1.1
147.11620	0.6
157.10172	0.8
159.11642	0.5
175.11198	0.6
193.12238	1.9
211.13277	2.1
254.40187	0.5
299.87024	0.4
370.41495	0.5
460.73941	0.5
467.35202	0.9
511.33936	100.0
512.34229	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	512.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03932	0.9
60.05625	0.5
69.03430	3.6
69.81149	1.3
70.06582	1.0
79.01860	2.1
81.03412	5.8
84.83052	0.4
85.02892	3.3
96.04480	0.4
97.02879	5.0
98.23148	1.2
99.04467	0.9
107.01302	1.7
109.02856	5.4
125.02325	2.7
127.03915	8.3
143.03394	3.9
145.04990	1.3
153.01817	100.0
153.58011	0.4
154.02184	1.2
171.02884	12.7
175.11884	0.9
177.84746	0.4
197.18494	0.5
215.41299	0.4
277.46304	0.5
279.04910	0.7
286.10190	0.4
297.06058	8.1
315.07083	21.3
350.24588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33215	2.2
53.03946	4.1
55.01857	2.2
55.05503	4.8
57.03438	3.9
57.07011	1.9
61.02918	2.7
65.03944	2.1
67.05495	3.4
69.03428	9.0
69.07067	3.9
70.06573	2.3
71.04969	5.0
79.01852	3.7
79.05497	8.8
81.03418	15.8
81.07042	12.6
83.04967	3.5
85.02900	41.4
91.03950	3.0
91.05486	11.7
93.07034	54.7
95.04971	6.6
95.08620	12.3
95.81836	2.0
97.02886	21.9
99.04461	3.1
103.05454	18.0
105.07028	5.8
107.08587	55.1
109.02887	9.1
109.06519	5.2
125.02332	3.6
127.03935	13.8
131.04918	59.9
135.11678	54.1
135.12654	4.0
137.13264	3.1
143.03365	3.6
145.04948	17.7
145.10056	2.2
150.03285	1.9
153.01817	100.0
153.03030	5.9
153.12759	9.7
153.21814	2.0
154.02187	3.3
163.06029	6.1
163.07549	23.0
171.02864	12.3
179.05536	2.2
241.08592	5.9
246.03984	2.0
280.07678	2.3
297.05963	12.2
315.06964	6.4
346.07941	3.2
349.06311	1.9
512.18384	3.9
513.18994	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	512.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.5
55.27628	0.4
65.03938	0.8
67.05495	0.7
67.12599	0.5
69.54736	0.5
71.42462	0.6
71.94268	0.5
74.97678	0.5
77.03911	0.9
78.04699	0.8
78.46333	0.6
79.05479	4.7
81.03431	0.9
81.07037	1.1
85.02871	0.7
86.80505	0.5
90.04670	0.5
91.05465	8.5
92.06308	0.7
93.07016	1.4
94.04173	0.8
95.04953	2.4
97.06480	0.6
98.22988	0.6
103.05456	4.6
104.06247	0.5
105.03410	0.7
105.07015	17.9
107.04980	2.9
107.05568	0.7
108.05701	0.6
109.02923	0.7
109.06482	2.2
115.05429	1.2
117.07010	0.7
118.04153	6.3
119.04931	7.3
120.05737	0.8
121.06517	3.2
122.07258	1.2
123.04440	1.4
123.08060	2.5
124.05191	2.1
126.00971	0.5
131.04907	2.6
132.05698	1.2
133.06480	20.5
134.07237	0.5
135.04396	2.3
135.07993	3.9
137.05956	10.1
146.03589	1.1
147.04388	6.3
148.05167	1.3
149.00578	1.0
149.05992	3.5
150.06738	12.5
151.07506	5.8
152.08275	1.2
153.01776	5.2
161.05949	3.3
163.07503	1.9
165.09093	14.3
167.07001	8.5
171.02824	0.6
177.05403	0.6
178.00760	1.2
178.06184	1.7
179.07043	4.3
181.04936	1.4
181.08568	0.9
193.03183	7.4
193.08578	59.1
194.07256	0.7
194.08992	1.3
195.07927	0.6
207.10252	0.8
209.08145	0.6
211.09621	100.0
212.09949	2.1
237.09076	0.6
260.56116	0.6
264.03949	0.6
265.08456	1.4
267.09824	0.6
285.11172	1.8
297.11121	2.5
315.07162	0.9
341.13831	2.4
372.23657	0.7
373.16360	0.7
434.33878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03419	0.7
69.10100	3.5
74.87601	0.5
75.04501	0.6
79.05481	3.5
90.04657	0.6
91.05484	5.6
95.04947	1.9
98.22685	1.0
103.05489	4.5
105.06353	1.0
105.07023	15.4
106.04160	0.9
107.04945	2.1
108.05746	0.8
109.02837	0.8
109.06506	1.6
118.04147	5.5
119.04940	6.2
120.05675	1.2
121.06494	2.0
122.07285	0.9
123.04413	0.9
123.08039	2.0
124.05207	1.2
131.04904	2.2
133.06483	15.4
135.04410	1.3
135.08025	2.2
137.05966	8.5
146.03616	1.2
147.04401	4.9
149.00531	0.9
149.05984	2.3
150.06744	10.6
151.07570	4.6
152.08307	0.8
153.01814	4.7
161.06013	2.9
163.07518	0.9
165.07726	0.8
165.09084	11.1
167.07039	7.3
171.02872	0.7
178.00903	0.9
178.06206	1.1
179.07030	4.1
181.08463	1.1
193.03203	5.8
193.08585	48.0
194.08968	1.0
209.08063	1.0
211.09641	100.0
212.10004	2.2
230.72771	0.6
265.08618	1.7
285.11041	1.4
297.11209	2.5
315.07013	1.0
341.13693	1.5
349.07281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
63.49131	1.6
70.49773	3.6
73.94116	1.7
74.22151	1.8
77.03917	2.8
78.04698	2.9
79.05497	3.0
85.02917	3.4
89.58742	1.7
91.05474	15.6
93.03414	3.9
93.07042	3.5
95.04947	3.1
103.05457	13.7
103.24519	1.7
105.04522	2.2
105.07030	7.6
106.04157	8.3
107.04948	23.1
116.06248	1.7
118.04140	1.9
119.04924	2.9
121.06496	13.6
123.04365	2.8
129.06975	5.2
131.04887	12.6
132.05722	2.8
133.06470	2.3
134.03609	2.5
135.04378	2.0
135.08038	5.5
135.11702	3.2
137.05980	4.8
146.07265	3.6
147.04338	2.1
148.05199	6.7
149.05984	16.7
151.07535	6.1
153.01823	5.9
153.09111	3.7
157.06499	4.9
161.05962	100.0
161.09599	24.5
163.07541	26.4
165.05482	3.8
167.07031	31.7
174.06776	3.8
175.07538	7.5
177.05447	10.5
179.07053	3.7
180.07779	7.0
181.08580	21.9
182.07227	2.0
189.09073	58.5
191.07016	14.9
192.07794	8.2
197.09627	2.3
207.10144	85.1
208.10477	2.6
209.08072	23.5
219.10161	3.3
223.04248	7.4
315.12277	2.2
317.13864	7.3
341.13788	5.7
343.15356	6.7
361.16425	16.7
373.16479	2.7
420.80106	1.8
460.06372	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
63.66949	0.7
69.03427	0.9
69.15418	0.7
71.43538	0.7
73.02908	2.7
81.07025	0.9
85.02898	0.9
91.05460	0.7
91.72994	0.6
93.07001	1.0
94.04173	0.8
97.02869	1.2
103.05418	0.6
104.88512	0.6
122.03625	2.8
122.09658	1.0
131.04901	1.3
137.05962	100.0
138.06314	1.6
151.07570	0.9
163.07539	2.5
175.07622	0.7
181.08574	14.2
192.10135	0.6
192.37859	0.7
277.10922	0.9
341.11414	0.9
357.10638	0.8
480.17603	1.0
486.62546	0.7
495.17673	1.4
538.67285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.1
57.03436	15.9
57.07070	6.7
67.05501	26.7
69.03418	3.9
69.07052	6.0
69.07838	2.3
69.51398	2.4
70.06578	8.2
71.04964	5.6
71.08624	8.8
77.87593	2.9
79.05491	23.1
79.80534	2.7
81.03414	100.0
81.07056	34.0
82.06141	2.5
83.04982	15.2
83.08620	22.1
85.02893	12.2
88.07640	13.0
91.05471	25.0
93.07037	18.7
95.04963	32.9
95.08594	12.7
97.02914	4.6
97.06497	4.3
97.10163	6.4
102.09180	5.3
105.07023	20.7
107.04948	7.5
107.08582	6.6
109.06485	6.5
109.10159	4.5
111.04437	3.9
111.08064	10.3
117.07044	5.0
119.08553	21.5
121.06496	4.3
121.10110	7.2
123.08087	4.9
125.09669	5.8
125.81977	2.4
129.07011	14.0
131.08565	11.2
133.06517	3.9
133.10126	9.5
145.10143	4.5
147.11696	14.6
149.09621	9.1
157.10126	15.6
163.64757	2.7
165.12888	2.8
175.11122	13.8
193.12236	44.0
211.13255	46.0
246.96364	3.1
249.14938	3.2
256.26337	21.4
267.15891	68.4
268.16382	3.5
283.26309	28.8
285.16962	33.9
367.22610	10.2
385.23633	11.5
403.24704	4.8
459.27219	22.2
477.28384	55.9
495.63864	3.3
512.50378	60.0
513.29498	4.4
513.36115	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	512.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.6
55.05513	35.3
57.03433	28.6
57.07056	4.0
59.04999	3.9
67.05162	4.4
67.05502	68.6
69.03423	5.7
69.07057	20.7
69.31849	19.9
70.06596	4.7
71.04987	7.1
71.08633	5.3
79.05491	66.3
81.03410	93.0
81.07053	78.9
83.01333	7.9
83.04970	16.5
83.08607	36.3
83.22655	3.6
85.02896	15.0
91.05471	55.8
93.07035	61.4
95.04964	34.8
95.08619	24.7
97.02857	5.3
97.06521	10.2
97.10160	6.9
102.09197	5.4
105.07027	43.3
107.04931	11.8
107.08592	24.7
109.06519	9.9
109.10131	6.2
111.08063	8.1
115.05486	4.3
117.06998	16.3
119.08563	29.1
121.06521	5.9
121.10134	17.1
123.08067	7.8
125.09614	4.3
129.07011	14.3
131.08569	21.8
133.10129	18.7
135.11670	11.9
142.07832	4.3
145.06490	4.2
145.10094	13.5
147.08043	7.1
147.11687	12.3
149.13257	8.9
157.10121	13.2
159.11678	6.7
160.05563	3.6
163.11221	20.0
175.11189	11.8
193.12231	37.1
195.13806	15.5
207.14198	3.3
209.11751	4.7
211.13289	29.2
214.43127	3.7
227.12746	4.8
233.15370	6.2
249.14810	3.8
256.26370	11.4
267.15884	95.8
269.17426	56.7
270.17557	5.2
283.15378	80.3
283.26337	11.1
284.15585	5.2
285.16995	24.4
349.21533	4.3
358.44308	4.1
367.22415	8.8
385.23688	8.8
426.56342	3.9
459.27481	19.1
477.28424	100.0
478.28619	7.3
512.50403	30.1
513.32117	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	512.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.6
55.05509	24.4
57.03429	24.7
57.07071	6.7
59.04999	2.8
59.21240	2.7
61.98215	2.6
65.03950	3.6
67.05498	55.3
68.82983	2.1
69.07066	23.8
70.06601	2.4
71.01314	2.5
71.04980	7.9
71.08626	2.9
74.57795	2.3
75.79220	2.1
79.05482	42.7
81.03408	11.4
81.07047	74.5
81.07504	4.9
83.01347	7.9
83.04979	17.5
83.08617	22.3
85.02925	3.5
85.06548	2.9
88.07636	4.7
91.05470	26.2
93.07033	69.1
93.07607	4.8
95.04953	17.0
95.08601	22.2
97.06531	14.0
98.23483	6.9
99.08075	3.0
102.13677	2.4
105.07003	13.3
107.04960	7.9
107.08590	33.5
109.06515	8.8
109.10136	3.5
111.08072	7.2
117.07002	16.7
119.08580	8.9
121.10130	25.7
123.08097	7.8
125.05927	2.4
131.08585	10.1
133.10098	7.4
135.08009	4.8
135.11702	17.4
139.56049	2.7
145.10114	16.6
149.13246	28.9
159.11684	13.7
163.11111	18.2
177.12715	5.0
181.12224	2.2
191.10675	2.9
195.13763	14.3
209.11699	6.9
213.14737	3.1
227.12769	6.6
229.32147	2.7
256.26385	10.3
269.17459	95.8
270.17905	4.1
280.61203	2.4
283.15369	72.4
283.26382	9.2
373.18021	7.1
449.26483	3.2
459.25558	12.9
477.28430	100.0
478.28668	5.4
512.50201	17.9
519.37616	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	512.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97252	1.0
55.05492	5.0
57.07071	72.6
58.06597	1.6
67.05483	5.4
69.07067	8.5
69.74313	3.4
70.06591	8.4
71.08627	47.8
73.02898	1.5
73.06554	4.2
79.05480	1.9
80.45011	1.2
81.07048	4.4
83.08623	5.7
85.10172	37.8
86.94769	1.1
87.04466	3.6
88.07626	10.7
88.10633	1.0
89.06024	100.0
90.55469	1.3
90.62553	1.0
91.05511	2.0
93.07056	2.5
93.57402	1.1
95.08598	3.5
97.10162	6.1
99.11720	9.4
102.09168	8.0
103.70625	0.9
105.07015	2.7
107.07076	2.6
109.10163	1.6
111.11725	4.6
113.13272	4.3
117.06994	1.5
117.09163	4.0
119.08588	1.1
129.07022	1.2
130.07712	1.0
130.08633	1.3
131.07022	1.2
131.08577	2.9
133.08595	68.2
135.10139	1.4
143.08582	1.7
151.43129	1.2
157.10106	1.4
159.11757	1.3
161.11711	1.3
169.19443	1.1
175.09767	1.2
177.11208	26.5
177.12761	1.3
209.13129	1.2
209.45328	1.2
213.22226	2.1
221.13882	6.0
228.23242	2.4
236.15202	1.1
236.93456	1.1
239.14882	3.4
243.02065	1.1
256.26328	30.4
257.24802	4.7
265.16486	1.6
274.27328	2.5
283.17511	4.4
283.26282	32.9
301.27454	5.9
309.19006	1.4
311.29581	2.8
327.20071	19.8
421.30939	2.5
495.38870	16.4
512.50336	66.1
513.35742	12.4
513.50494	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	512.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90151	1.3
55.05503	5.4
57.07076	54.2
62.53315	1.2
67.05505	3.8
67.34275	1.3
68.82099	1.6
69.07071	7.7
70.06588	12.6
71.08628	38.8
71.18021	2.4
73.02901	2.3
73.06554	3.2
73.69739	1.3
79.05463	2.8
80.10759	1.4
81.07055	3.5
83.08619	3.9
85.10175	25.2
85.10674	0.8
87.04469	4.2
88.07627	16.1
89.06026	83.5
95.08599	4.7
95.88425	1.3
97.10133	3.2
99.11727	5.6
102.09171	12.9
103.51488	1.3
105.07042	1.7
106.08672	1.2
107.07066	2.8
109.10126	2.6
111.11728	2.4
113.13273	4.5
115.15751	1.4
117.09095	3.5
121.10098	1.5
123.11639	1.3
127.14849	1.4
130.08598	1.7
131.07100	1.3
133.08600	48.9
169.19545	5.3
177.11191	19.9
213.22127	2.4
221.13947	4.0
228.23325	4.2
239.14868	2.4
256.26346	42.6
257.24762	3.6
274.27408	2.6
283.17651	2.1
283.26294	45.9
301.27393	3.8
307.68750	1.4
311.29404	3.7
327.20160	17.2
370.32852	1.4
495.39157	10.0
512.50342	100.0
513.35938	3.3
513.50592	3.5
534.89209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29223	2.7
57.07071	9.5
63.47021	2.6
70.06583	7.8
70.09147	3.3
70.09472	4.8
71.08625	6.0
75.00325	2.6
81.07041	3.4
83.08618	2.4
85.10233	3.7
88.07635	11.7
89.06004	3.9
95.08588	3.6
102.09180	9.6
111.64153	3.1
115.91827	2.5
128.43828	2.5
133.08598	3.6
135.81308	2.3
163.99930	2.3
256.26346	28.4
267.96866	2.9
283.26285	36.3
297.44336	2.9
365.89999	2.7
512.50336	100.0
513.51093	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	513.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.2
69.24643	0.9
75.35110	0.9
79.05480	7.8
91.05472	4.1
95.04916	1.3
103.05447	9.5
105.07020	64.0
114.97047	1.0
115.05450	14.6
115.70921	1.0
118.04121	5.9
118.89442	1.2
119.04945	7.2
131.04933	5.6
132.05815	1.0
133.06476	57.1
137.06021	1.5
143.04971	1.3
143.06003	5.0
147.04378	11.1
148.05170	2.2
149.05946	3.4
150.76924	1.0
161.05962	100.0
162.06520	1.9
163.07513	3.2
179.07007	8.7
184.04965	4.7
185.05714	2.6
191.06990	20.0
193.08585	47.3
194.08873	1.4
201.05243	2.8
215.06766	27.7
235.44850	0.9
237.08032	1.0
248.74142	1.0
255.27036	1.2
261.07248	3.1
274.08102	1.6
453.15201	10.2
495.29688	1.2
513.17340	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	513.3056
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
53.03935	4.6
55.01886	3.4
55.05507	4.2
56.06440	2.2
57.07084	2.4
59.04989	4.1
60.45209	2.3
67.05502	13.2
69.03423	3.9
69.07043	7.3
69.30533	13.5
71.04992	29.3
79.05492	10.7
81.07063	16.4
82.06193	2.8
83.04977	5.4
84.42332	2.4
85.02925	2.5
85.06522	6.3
91.05481	13.0
91.67450	2.6
93.07038	18.5
95.04960	36.1
95.08595	25.7
97.06516	14.6
98.97556	4.0
99.04451	5.6
99.08088	10.0
102.31918	2.4
103.05462	3.0
105.07013	28.2
107.04950	8.2
107.08571	19.3
109.06497	14.4
109.10146	4.9
113.05996	32.5
113.09622	3.9
115.05409	4.3
115.07585	5.5
117.07027	7.8
119.08578	15.8
121.06493	10.7
121.10153	10.6
123.08053	56.9
125.09637	6.9
128.06186	5.0
129.06992	6.3
131.04970	4.3
131.08563	20.6
133.06470	3.0
133.10129	11.4
135.04408	9.3
135.08049	8.4
135.11734	3.6
137.05945	6.0
137.09599	5.0
140.06772	2.4
141.09088	45.3
142.07779	3.7
143.08525	24.0
145.06488	9.4
145.10094	14.4
147.08018	18.4
147.11682	6.0
149.09619	7.4
151.07574	3.3
151.11186	3.1
155.08594	8.5
157.10080	17.1
159.08113	12.4
159.10185	27.5
159.11699	10.5
161.09619	21.8
163.11311	6.6
165.09221	3.4
167.08562	6.3
169.10135	11.0
171.08063	22.0
171.11713	11.9
173.09633	15.3
173.13245	5.5
175.07539	6.3
175.11194	4.3
177.09106	3.4
179.08574	5.0
181.10115	7.6
182.10808	3.0
183.08104	4.8
183.11731	11.3
185.09613	11.9
187.07626	6.3
187.11171	5.5
189.09105	36.2
189.12764	6.2
192.09351	4.0
193.10133	7.6
193.12253	17.0
195.11691	8.1
195.13741	4.7
196.12395	3.5
197.09650	10.8
197.13301	7.5
199.11226	13.2
201.09138	3.4
201.12798	6.8
203.10713	5.7
205.08588	3.2
205.12169	3.9
207.10115	11.0
207.11795	5.2
209.13341	7.6
210.10374	3.7
211.11182	7.2
211.14845	4.9
213.09270	3.1
213.12723	10.0
221.09552	3.4
221.13245	9.2
223.11217	8.1
223.14806	6.1
225.12833	6.7
225.16357	3.5
227.10620	3.3
227.14279	12.0
229.12204	6.1
229.15964	4.1
231.13791	7.4
233.13167	3.2
235.14857	6.7
237.12743	8.3
237.16396	4.3
239.14424	9.0
241.12343	4.4
241.15829	4.2
243.13734	3.6
249.16469	3.0
250.15674	2.6
251.14371	9.3
253.12251	3.3
253.15900	8.5
255.13733	6.5
262.13654	3.1
263.14243	9.2
263.18216	4.0
265.08383	2.9
265.14291	4.3
267.17383	5.8
269.15341	32.7
269.18491	4.0
271.16876	5.0
279.13876	5.0
281.15375	25.9
283.16904	7.2
285.18585	2.8
291.17465	5.0
295.16882	7.0
299.16504	8.5
301.18005	7.4
309.18460	21.7
311.16544	5.6
311.20041	14.1
317.17688	2.8
323.19922	4.1
327.19464	8.1
329.21216	5.8
335.19540	4.7
337.18024	10.6
341.21027	18.1
351.19479	58.4
353.21115	6.1
355.18967	7.3
359.22046	7.1
363.21780	5.1
369.20609	37.2
374.97397	2.7
377.24005	4.2
381.24539	5.6
383.22238	5.8
387.21722	12.4
401.23236	2.8
405.18979	2.9
405.24277	10.3
423.25262	54.5
441.26294	47.9
459.27301	46.0
460.28033	3.5
477.28619	14.8
495.29529	8.8
513.18457	10.8
513.30560	100.0
514.30933	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57758	3.9
55.05500	10.6
57.03428	8.0
61.02916	13.3
61.64071	3.4
67.05488	35.0
69.03416	6.3
69.07056	9.6
69.25783	8.9
69.26169	7.0
73.02875	3.9
79.05485	38.8
81.03400	4.8
81.07056	38.1
83.08604	7.0
85.02897	8.5
85.90734	3.2
91.03952	5.9
91.05478	33.8
93.07031	54.2
94.20065	3.3
95.04942	8.2
95.08599	28.4
97.02879	13.3
97.06496	3.7
97.28471	3.2
98.23495	6.4
105.07045	26.3
107.08582	28.9
109.10139	16.6
117.06996	11.3
119.06024	3.5
119.08557	34.3
121.10114	27.5
129.07010	6.7
131.08543	15.0
133.06430	4.1
133.10117	31.7
135.11678	29.1
145.10153	19.6
147.11658	25.3
149.09663	4.7
149.13225	18.9
157.10114	8.4
159.11678	14.1
161.13252	23.0
163.11255	3.8
163.14818	3.7
171.11729	8.6
173.13289	8.6
175.14822	14.3
185.13254	14.2
187.14795	5.2
213.16356	4.4
231.21107	5.7
241.19505	20.1
259.20526	50.5
268.25952	3.5
277.21552	8.9
333.24182	11.5
349.23611	5.4
351.25250	100.0
477.28717	6.6
531.99493	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36007	4.5
55.01860	5.4
55.05502	9.8
55.19456	4.0
56.54928	4.3
57.07079	5.2
61.02914	16.3
67.05505	36.0
69.03448	10.1
69.07062	12.0
69.62094	10.1
69.62449	10.5
71.08625	4.9
79.05486	43.4
81.03410	8.7
81.07049	40.4
83.04971	8.6
83.08606	11.3
85.02904	18.6
85.06525	6.4
91.03969	7.4
91.05488	42.6
93.07036	61.0
95.04978	11.1
95.08603	24.4
97.02908	8.2
98.23376	9.6
105.07020	39.6
107.08589	35.8
109.10163	11.3
117.06973	11.7
119.08575	34.1
121.10140	26.6
125.40152	4.4
129.06993	6.0
131.08574	16.6
133.10097	31.5
135.11688	24.6
143.08479	8.0
145.10109	20.6
147.11653	32.5
149.13251	15.1
157.10088	10.4
159.11700	15.5
161.13261	18.2
171.11658	16.4
173.13292	10.8
175.14810	9.6
185.13284	5.8
201.12747	5.1
231.21071	6.2
241.19466	31.8
259.20587	53.3
277.21701	10.1
310.81290	5.2
333.24042	5.4
351.25262	100.0
361.24017	4.8
441.26410	9.4
495.29654	7.0
513.26208	66.1
513.33026	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01621	2.8
54.73238	2.7
55.01864	4.5
55.05495	4.5
57.03429	11.0
57.07059	10.6
59.61550	2.8
61.59618	2.7
61.65683	2.9
65.03934	5.7
67.05499	32.6
69.03423	6.7
69.07061	32.3
69.19271	12.9
71.04986	15.5
76.62934	2.9
77.15412	3.4
78.52164	3.3
79.05486	14.7
80.01403	2.6
81.03407	5.3
81.07047	28.3
83.04977	7.4
85.02899	5.7
85.06536	49.1
85.07005	5.9
91.05458	18.6
93.07018	24.0
95.04958	39.9
95.08592	43.9
97.02863	5.3
97.06524	16.5
97.10170	4.7
98.22807	9.8
98.23477	4.3
99.04454	6.5
103.05448	7.5
104.05759	4.1
105.07017	27.0
107.04935	12.0
107.08590	22.0
108.05272	3.8
109.02881	4.0
109.06509	9.0
109.10168	7.6
113.05986	24.0
113.09666	4.8
115.07552	12.1
117.06992	4.8
119.04935	4.1
119.08535	17.3
121.06502	22.8
121.10087	9.1
123.08060	34.0
125.09597	4.3
127.03927	5.2
128.06195	9.0
129.06949	14.1
131.04922	16.1
131.08554	23.2
131.64328	2.9
132.05287	7.9
133.06480	5.9
133.10117	13.9
135.04443	4.4
135.08051	13.7
135.11678	5.9
137.02351	22.5
137.05965	9.0
137.09615	5.4
141.07013	4.4
141.09088	39.7
142.07788	3.3
143.03366	6.1
143.08548	19.9
143.10559	5.1
145.06451	11.6
145.10109	11.3
147.08066	19.5
147.11665	6.0
149.05914	4.7
149.09598	9.5
151.07486	3.5
151.11099	3.8
153.01805	40.5
154.02106	4.3
155.08527	7.6
157.10109	13.2
159.08052	12.2
159.10185	10.4
159.11678	10.9
161.05954	33.7
161.09618	27.7
162.06352	15.4
162.09921	5.2
163.07573	14.3
163.11226	3.4
164.07851	8.2
165.09138	4.9
167.07016	10.3
167.08476	3.8
168.07368	5.2
168.84781	3.4
169.10115	13.1
171.02942	5.2
171.08032	22.7
171.11674	10.4
173.09566	16.6
173.13245	7.5
175.07437	3.4
175.11266	4.6
177.09157	4.0
180.07660	3.3
181.08556	8.6
181.10121	8.1
181.12151	3.4
182.08861	3.2
183.11673	10.9
184.08711	4.3
185.09607	8.2
187.07538	9.6
187.11171	8.2
189.09079	51.8
189.12704	4.2
190.09445	13.4
191.06956	4.9
192.07500	3.4
193.10091	7.0
193.12259	6.3
195.11687	7.4
197.09619	8.7
197.13155	7.6
199.11205	17.7
201.09119	4.5
201.12733	9.9
203.10612	6.5
207.10104	33.1
207.11711	5.3
208.10471	22.9
209.08052	3.8
209.13245	4.3
210.08397	5.1
211.11179	10.3
213.12700	10.4
215.10548	3.8
217.12276	4.3
221.13252	7.7
223.11282	6.4
223.14896	4.6
225.12724	7.8
227.14200	3.9
229.12221	8.9
229.15790	4.8
231.13783	7.5
234.08540	16.1
235.14833	7.1
237.12679	4.7
239.14307	11.9
241.12140	4.1
241.15898	4.7
249.16344	4.1
251.14275	8.9
253.15987	6.8
255.13857	5.4
257.15469	3.2
263.14301	10.2
269.15320	5.2
271.16943	4.1
273.14670	3.8
281.15430	26.1
283.16748	14.2
293.19019	7.6
299.16333	12.5
301.18039	8.0
305.19046	4.2
309.18448	13.2
311.20010	12.8
311.60590	3.2
315.06967	5.7
319.19138	4.1
323.20059	6.7
327.19525	10.5
335.18576	5.0
337.12442	3.4
341.21140	19.0
344.15598	3.6
351.19409	12.4
353.21075	6.0
359.22293	11.2
361.03857	3.5
362.16516	8.7
363.21909	6.9
365.21252	14.0
369.20563	13.2
371.22101	3.5
381.23798	5.4
383.22012	8.7
387.22147	6.9
399.24899	5.7
405.24008	20.6
423.25217	58.9
424.25134	3.2
441.26312	59.5
442.26376	6.9
459.27408	40.3
471.18378	6.6
477.28531	21.0
495.29495	9.3
499.16431	3.6
513.19214	68.1
513.30383	100.0
513.42090	4.0
514.19794	6.0
514.30389	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01621	2.8
54.73238	2.7
55.01864	4.5
55.05495	4.5
57.03429	11.0
57.07059	10.6
59.61550	2.8
61.59618	2.7
61.65683	2.9
65.03934	5.7
67.05499	32.6
69.03423	6.7
69.07061	32.3
69.19271	12.9
71.04986	15.5
76.62934	2.9
77.15412	3.4
78.52164	3.3
79.05486	14.7
80.01403	2.6
81.03407	5.3
81.07047	28.3
83.04977	7.4
85.02899	5.7
85.06536	49.1
85.07005	5.9
91.05458	18.6
93.07018	24.0
95.04958	39.9
95.08592	43.9
97.02863	5.3
97.06524	16.5
97.10170	4.7
98.22807	9.8
98.23477	4.3
99.04454	6.5
103.05448	7.5
104.05759	4.1
105.07017	27.0
107.04935	12.0
107.08590	22.0
108.05272	3.8
109.02881	4.0
109.06509	9.0
109.10168	7.6
113.05986	24.0
113.09666	4.8
115.07552	12.1
117.06992	4.8
119.04935	4.1
119.08535	17.3
121.06502	22.8
121.10087	9.1
123.08060	34.0
125.09597	4.3
127.03927	5.2
128.06195	9.0
129.06949	14.1
131.04922	16.1
131.08554	23.2
131.64328	2.9
132.05287	7.9
133.06480	5.9
133.10117	13.9
135.04443	4.4
135.08051	13.7
135.11678	5.9
137.02351	22.5
137.05965	9.0
137.09615	5.4
141.07013	4.4
141.09088	39.7
142.07788	3.3
143.03366	6.1
143.08548	19.9
143.10559	5.1
145.06451	11.6
145.10109	11.3
147.08066	19.5
147.11665	6.0
149.05914	4.7
149.09598	9.5
151.07486	3.5
151.11099	3.8
153.01805	40.5
154.02106	4.3
155.08527	7.6
157.10109	13.2
159.08052	12.2
159.10185	10.4
159.11678	10.9
161.05954	33.7
161.09618	27.7
162.06352	15.4
162.09921	5.2
163.07573	14.3
163.11226	3.4
164.07851	8.2
165.09138	4.9
167.07016	10.3
167.08476	3.8
168.07368	5.2
168.84781	3.4
169.10115	13.1
171.02942	5.2
171.08032	22.7
171.11674	10.4
173.09566	16.6
173.13245	7.5
175.07437	3.4
175.11266	4.6
177.09157	4.0
180.07660	3.3
181.08556	8.6
181.10121	8.1
181.12151	3.4
182.08861	3.2
183.11673	10.9
184.08711	4.3
185.09607	8.2
187.07538	9.6
187.11171	8.2
189.09079	51.8
189.12704	4.2
190.09445	13.4
191.06956	4.9
192.07500	3.4
193.10091	7.0
193.12259	6.3
195.11687	7.4
197.09619	8.7
197.13155	7.6
199.11205	17.7
201.09119	4.5
201.12733	9.9
203.10612	6.5
207.10104	33.1
207.11711	5.3
208.10471	22.9
209.08052	3.8
209.13245	4.3
210.08397	5.1
211.11179	10.3
213.12700	10.4
215.10548	3.8
217.12276	4.3
221.13252	7.7
223.11282	6.4
223.14896	4.6
225.12724	7.8
227.14200	3.9
229.12221	8.9
229.15790	4.8
231.13783	7.5
234.08540	16.1
235.14833	7.1
237.12679	4.7
239.14307	11.9
241.12140	4.1
241.15898	4.7
249.16344	4.1
251.14275	8.9
253.15987	6.8
255.13857	5.4
257.15469	3.2
263.14301	10.2
269.15320	5.2
271.16943	4.1
273.14670	3.8
281.15430	26.1
283.16748	14.2
293.19019	7.6
299.16333	12.5
301.18039	8.0
305.19046	4.2
309.18448	13.2
311.20010	12.8
311.60590	3.2
315.06967	5.7
319.19138	4.1
323.20059	6.7
327.19525	10.5
335.18576	5.0
337.12442	3.4
341.21140	19.0
344.15598	3.6
351.19409	12.4
353.21075	6.0
359.22293	11.2
361.03857	3.5
362.16516	8.7
363.21909	6.9
365.21252	14.0
369.20563	13.2
371.22101	3.5
381.23798	5.4
383.22012	8.7
387.22147	6.9
399.24899	5.7
405.24008	20.6
423.25217	58.9
424.25134	3.2
441.26312	59.5
442.26376	6.9
459.27408	40.3
471.18378	6.6
477.28531	21.0
495.29495	9.3
499.16431	3.6
513.19214	68.1
513.30383	100.0
513.42090	4.0
514.19794	6.0
514.30389	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	514.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.6
69.03432	1.8
69.07059	2.4
78.90067	1.7
79.05481	3.9
81.03413	3.4
81.07051	3.8
85.02882	2.0
85.06528	4.1
91.05475	3.2
93.07041	5.4
95.04960	2.7
95.08597	2.9
95.88003	1.6
96.05309	1.7
97.39040	1.4
105.07007	2.6
107.08569	3.0
117.07043	1.9
119.08577	2.5
121.10159	2.7
122.09658	2.0
133.10106	2.0
135.08070	1.8
145.10068	2.9
153.01814	7.7
154.02185	3.1
162.09074	1.8
166.08632	3.3
212.78256	1.7
215.08087	2.1
229.09724	2.5
239.08203	2.1
243.07655	4.0
245.04434	3.0
247.10722	2.8
250.10689	3.3
257.09128	9.0
258.07538	2.2
271.07431	1.9
273.39096	1.6
276.08569	12.7
285.08759	2.8
285.12213	2.4
289.11731	5.1
299.10242	10.6
313.06940	2.4
313.11844	6.3
315.13333	4.0
317.11398	7.1
331.12842	15.8
341.11301	7.2
359.12308	100.0
360.12598	2.6
373.09131	2.7
377.13376	15.9
391.10092	3.9
391.14932	35.4
476.39362	1.7
492.73648	1.6
514.27283	13.1
515.24567	5.5
539.56763	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
57.03448	3.1
67.05489	4.4
69.03444	3.9
69.07042	2.5
70.36251	6.3
79.05463	7.4
81.03409	85.8
81.07055	6.3
83.04939	3.9
83.08614	19.0
91.05463	7.9
93.07013	6.6
95.04971	20.8
97.02875	5.9
105.07011	7.4
107.04940	7.3
109.06497	3.4
109.24351	2.8
111.08043	7.2
119.08562	10.7
121.10149	2.7
127.03826	3.6
129.07007	4.0
129.93556	3.1
131.08542	6.6
133.06433	3.3
133.10097	4.1
147.07996	4.8
147.11705	5.0
153.01758	3.5
157.10103	10.4
163.11331	2.8
175.11163	12.6
193.12207	72.5
201.20341	2.5
211.13315	7.1
267.15860	37.6
285.16934	100.0
286.17230	3.0
309.16946	9.3
329.48779	2.7
515.19434	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05513	3.7
57.03429	4.4
59.86777	3.5
61.12318	3.5
61.73162	3.3
67.05489	12.3
69.03419	5.8
71.04999	6.6
79.05482	10.6
81.03411	100.0
81.07044	13.4
83.04998	5.8
83.08603	30.1
83.58823	3.3
85.02868	5.6
89.40930	3.4
91.05469	15.8
93.07031	8.1
95.04965	28.0
95.08601	16.6
97.02889	6.5
105.06996	9.0
107.04939	8.4
107.08607	3.4
109.02881	4.8
111.08064	8.5
114.11003	3.4
119.08590	12.1
121.10135	6.2
124.07513	3.5
129.07002	8.5
131.08583	8.4
137.05919	4.3
145.10123	4.9
147.11685	8.7
149.09601	7.9
153.01790	21.2
157.10110	10.0
164.10693	9.1
175.11166	15.2
192.10194	11.3
193.12233	76.7
211.13271	6.6
263.10220	5.5
267.15933	54.2
285.16934	76.8
309.16959	12.5
323.12271	13.4
373.14005	5.9
403.97131	4.4
458.36566	4.1
514.17407	5.9
514.22113	5.5
515.19141	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	514.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.0
55.05513	26.6
57.03423	16.2
67.05499	55.7
69.03423	6.6
69.07055	15.9
71.04989	8.5
71.39897	3.1
71.41531	3.3
79.05489	43.7
79.86107	3.1
81.03407	57.0
81.07046	67.8
83.04962	20.8
83.08613	30.5
85.02897	14.4
85.06541	5.1
91.05479	37.2
93.07037	52.4
95.04969	25.1
95.08591	19.8
97.06528	9.9
97.10162	7.0
105.07015	24.1
107.04977	5.2
107.08588	26.0
109.10149	3.1
111.08075	12.1
113.05985	3.3
117.07008	8.1
119.08582	13.6
121.10139	20.5
122.10457	3.4
123.11688	4.4
129.06990	4.4
131.08546	15.8
133.10129	13.1
135.11670	6.9
147.11664	15.2
149.09573	7.3
149.13274	21.0
156.20522	3.4
157.10121	10.0
159.11674	10.2
161.43706	3.1
175.11169	10.4
177.12665	4.4
193.12233	31.2
195.13789	10.8
211.13237	46.1
226.62547	3.4
267.15912	24.0
269.17438	92.4
270.17770	7.8
276.25089	3.4
285.16907	34.9
461.28922	32.9
479.29962	100.0
480.30328	5.3
514.36115	9.3
515.36938	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	514.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	6.9
55.05502	25.4
57.03422	13.9
59.04517	6.9
67.05505	62.6
69.07066	23.0
69.67477	18.5
71.04980	7.8
72.05396	6.6
79.05486	27.0
81.03413	55.0
81.07053	83.7
83.04955	16.2
83.08590	20.9
85.02888	17.2
91.05455	37.7
93.07024	68.1
95.04960	14.6
95.08601	28.5
105.07008	26.0
107.08602	32.2
111.08028	9.3
117.07011	7.3
119.08552	11.9
121.10142	23.3
129.06990	8.9
131.08557	20.7
133.10153	10.5
133.24550	7.8
147.11670	9.4
149.05968	12.4
149.09526	8.7
149.13245	25.7
155.62228	7.9
157.10051	11.3
175.11125	9.4
193.12160	42.9
195.13747	16.9
211.13278	61.0
233.77946	6.1
235.39072	7.9
267.16086	10.7
269.17422	100.0
285.16934	40.5
327.96194	6.9
410.13562	9.1
461.28873	21.7
479.29971	65.5
514.28265	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25780	0.2
55.94128	0.2
63.32941	0.2
99.08118	0.4
230.53836	0.3
295.55997	0.3
339.25183	0.3
365.13693	0.8
383.14755	0.8
412.16113	0.2
515.18842	100.0
516.19214	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	515.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17975	0.2
52.04598	0.2
54.77407	0.3
56.15141	0.2
59.49748	0.2
65.27525	0.2
66.63641	0.2
70.99075	0.3
84.00654	0.2
92.11884	0.2
98.23242	0.4
99.94522	0.2
99.96476	0.3
102.55913	0.2
136.51944	0.2
137.05994	0.2
153.01833	0.4
161.06055	0.3
165.09026	0.3
173.04221	0.5
213.08089	0.2
296.21017	0.2
365.13748	1.1
383.14493	0.6
472.82178	0.3
515.18848	100.0
516.19208	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	515.1885
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
58.08428	0.7
61.91253	0.8
69.37847	1.9
69.38247	1.9
70.06586	1.0
79.05499	0.8
81.03419	2.1
91.05501	1.2
111.30658	0.7
125.52672	0.8
137.05975	2.0
149.11053	0.8
153.01793	1.6
153.58394	0.8
159.94514	0.8
167.10773	0.7
177.05406	1.2
193.12247	1.7
267.16064	1.0
268.16437	1.0
286.17245	0.9
429.20694	1.0
481.46893	0.9
515.19061	100.0
516.19116	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	515.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
55.40046	1.0
67.05494	2.2
69.07069	1.1
69.30643	5.3
75.87302	1.0
75.89677	1.0
79.05493	2.9
81.07054	1.5
83.04950	1.0
85.25787	1.1
89.06033	1.7
91.05486	2.3
93.07043	3.5
98.23420	2.6
105.07030	1.4
228.56686	1.2
235.13052	3.1
247.12943	8.3
291.15771	4.1
303.15686	4.2
514.51141	1.7
515.29785	100.0
516.30121	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	515.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75411	0.4
55.05504	0.9
56.01708	0.4
57.07079	0.5
67.05486	1.8
69.07064	0.7
69.64045	0.9
69.64430	1.0
77.63023	0.4
77.95279	0.4
79.05493	1.3
81.07037	2.2
83.08625	0.6
91.05486	2.2
93.07018	2.3
93.65539	0.5
95.08604	1.1
97.06584	0.4
97.10208	0.4
103.99636	0.4
105.07022	1.0
107.08594	0.7
117.06960	0.7
121.10148	0.5
131.08575	1.2
133.10101	0.6
135.11736	0.9
145.10146	0.9
185.04347	0.8
514.17609	0.6
514.50745	1.0
515.31793	100.0
516.32104	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.1
57.03423	9.3
57.07075	6.2
61.02928	5.4
61.86467	3.1
63.04182	2.7
65.03936	3.2
67.05496	92.4
69.03423	5.7
69.07067	17.7
69.72073	5.5
70.49297	2.8
71.04967	5.5
71.78923	3.0
77.87180	2.9
79.05481	55.2
81.03409	5.0
81.07051	100.0
83.04945	3.9
83.08607	10.9
85.06512	3.4
91.05466	34.8
93.07040	73.7
95.04967	11.3
95.08600	75.8
97.02872	5.1
97.06540	7.8
97.10180	5.2
99.08055	4.0
105.04507	3.0
105.07034	25.2
107.04969	2.8
107.08579	40.0
109.06516	6.6
109.10142	33.2
117.06979	11.4
119.08575	24.3
121.10133	30.7
123.08016	4.0
123.11670	16.8
129.07010	4.3
131.08549	21.2
133.10121	25.0
135.11696	35.5
137.13251	7.1
143.08508	3.9
145.10126	19.3
147.11671	10.6
149.13260	16.3
157.10057	4.0
159.11693	16.2
161.13239	11.7
163.14810	12.8
165.63898	3.2
173.13249	16.6
175.14787	5.0
177.12831	3.8
177.16348	5.7
185.13199	3.8
187.14795	9.4
205.64076	2.8
209.94878	3.1
243.21021	21.2
261.22101	76.5
268.53918	2.9
278.96631	3.2
279.23267	7.5
297.15598	3.0
335.25748	24.0
353.26843	12.2
380.30679	3.5
419.27399	3.6
490.61749	3.3
497.30414	5.2
515.36841	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	24.4
57.07062	8.1
60.25729	9.5
67.05499	94.0
69.07042	19.7
69.16615	7.8
71.04990	10.4
71.08582	8.3
79.05470	81.1
81.07047	100.0
83.08572	9.6
83.17658	7.1
91.05483	44.5
93.07033	86.4
95.04972	12.0
95.08596	82.8
97.21537	8.2
105.04485	9.4
105.07011	39.0
107.08596	60.9
109.10145	51.8
117.06972	19.0
119.08556	19.4
121.10116	51.2
123.11691	17.9
126.53058	8.4
131.08540	35.5
133.10120	17.0
135.11691	31.3
137.13263	10.9
145.10124	24.7
147.11682	17.2
149.13249	20.2
159.11688	15.5
161.13243	12.4
163.14777	14.1
171.11752	9.6
173.13263	20.0
209.97246	9.0
243.21097	38.5
261.22104	99.1
288.29797	9.8
335.25488	9.8
353.26703	18.8
381.68481	9.8
515.35950	14.5
540.87506	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	515.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74973	0.7
55.01872	1.3
55.05508	8.6
57.03434	2.1
57.07060	1.3
63.65753	0.8
65.03930	0.9
67.05501	15.4
69.05489	4.1
69.05917	2.1
69.07063	7.5
71.04984	1.3
78.77511	0.7
79.05487	12.6
81.07054	11.7
82.26057	0.8
83.04976	1.1
83.08627	3.7
85.06537	1.1
91.05467	11.3
92.83040	0.8
93.07046	13.0
95.04978	2.1
95.08604	11.9
97.06544	1.8
97.10178	2.8
98.23427	2.0
99.08082	1.1
105.07030	11.4
105.27599	0.7
107.08576	7.9
109.06561	0.8
109.10139	4.3
111.08113	1.4
115.05426	1.0
117.07029	9.1
118.39008	0.7
119.08579	10.6
119.22030	0.7
121.10160	5.0
123.11716	1.2
125.09613	1.0
128.06221	1.3
129.06998	7.1
131.08568	16.3
133.10158	5.0
135.08044	1.2
135.11700	4.1
141.06993	1.8
142.07758	1.4
143.08549	9.6
145.10127	13.8
147.11630	4.1
149.13289	1.6
155.08548	4.6
156.09380	0.8
157.10141	6.9
159.11681	8.2
161.13254	1.9
169.10112	4.1
171.11662	6.1
173.13264	5.0
175.11227	0.8
181.10168	2.4
181.12320	0.8
183.11644	5.1
185.13211	5.6
187.14833	3.1
195.11743	2.2
197.13287	2.8
199.14861	3.5
201.16452	3.9
209.13277	1.7
211.14774	1.9
213.16359	1.9
215.17964	0.8
223.14819	1.4
225.16376	1.6
229.15886	0.9
237.16330	1.8
239.18227	0.9
253.31116	0.8
269.19156	0.9
297.22125	2.3
299.23615	1.5
311.23688	1.5
317.24805	1.6
320.31833	0.9
325.25412	1.4
331.84354	0.9
336.57385	1.0
405.31653	2.9
406.31366	0.7
417.30450	1.3
423.32571	10.9
441.33624	2.6
459.35101	0.9
497.36111	4.8
515.37292	100.0
516.37524	5.3
534.28302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
53.03938	2.6
54.37479	0.8
55.01869	3.9
55.05507	24.7
56.47269	0.8
57.03436	10.2
57.07085	4.7
59.02558	0.9
62.24187	0.9
62.49923	0.9
63.02382	0.9
65.03936	1.8
67.05502	73.2
69.03414	1.7
69.07059	20.7
71.01345	1.8
71.04989	4.2
77.03912	2.2
79.05488	69.3
81.03414	3.5
81.07050	53.0
83.04983	7.9
83.08624	7.5
85.06541	3.9
91.05476	37.7
91.06051	2.0
93.07039	74.3
94.07412	1.4
95.04965	13.7
95.08601	30.8
97.06531	11.0
97.10168	8.8
99.08089	1.8
101.94358	1.1
105.04523	4.1
105.07025	20.3
107.04958	1.4
107.08588	44.1
109.06511	2.2
109.10149	15.0
111.08090	2.7
117.07008	12.1
117.07716	1.4
118.74485	1.1
119.08571	18.3
119.38596	0.9
121.06490	2.3
121.10141	19.8
123.08105	1.4
123.11707	3.2
125.06030	0.8
125.09629	1.6
128.06195	1.5
129.06960	5.1
130.07791	1.0
131.08559	17.2
133.10117	16.5
135.08110	1.3
135.11681	47.4
136.12001	1.1
137.09566	1.2
141.06978	1.7
143.08583	7.0
145.10109	18.3
145.63208	1.1
147.11670	7.2
149.13274	5.8
153.12749	2.0
155.08577	3.1
157.10149	4.1
159.11699	12.7
161.13229	5.0
163.11183	6.2
167.08531	0.9
169.10162	2.6
171.11679	5.7
173.13272	7.5
175.14803	2.3
181.10083	1.0
181.12288	4.7
183.11719	3.3
185.13287	4.1
187.14708	4.7
195.11700	1.7
197.13284	2.3
199.14795	2.2
200.03412	1.0
201.16548	1.2
211.14928	1.2
213.16350	1.2
223.14754	1.1
243.21120	2.1
251.18170	1.0
259.20636	1.0
261.22104	7.7
297.22101	1.4
317.24713	1.8
397.73935	1.1
405.31537	2.3
423.32800	7.9
441.33951	3.0
459.34195	1.3
497.36209	4.1
515.37323	100.0
516.37708	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	516.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77963	1.2
53.03939	1.5
57.03440	1.8
58.90804	1.4
69.03409	2.5
69.28416	6.5
71.20448	1.2
78.04715	3.4
79.01828	2.3
81.03411	5.6
85.02872	2.6
90.74526	1.2
97.02891	5.3
98.23468	2.5
105.87801	1.3
106.04151	2.2
107.01299	1.5
108.04517	1.8
109.02878	4.8
116.71268	1.2
123.04417	5.1
125.02374	2.4
127.03895	5.4
143.03401	4.4
153.01811	69.6
153.02866	3.7
154.02037	1.7
167.07013	100.0
171.02864	8.0
297.06018	5.8
315.07071	5.8
341.17877	1.5
375.66226	1.4
382.35022	1.3
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
55.05510	1.6
57.07083	1.0
59.04993	1.0
60.40863	1.2
67.05500	2.6
69.03429	3.1
69.07072	2.7
69.83398	1.9
69.83742	2.0
75.66876	1.1
79.01858	3.0
79.05465	1.2
81.03407	6.0
81.07058	3.3
83.08628	1.6
85.02898	4.2
91.05471	2.0
93.07044	5.1
95.08595	2.0
97.02888	4.4
99.63283	1.0
105.07040	2.3
107.01292	2.1
107.08579	7.4
108.36096	0.9
109.02872	5.5
109.10159	3.3
115.03915	1.0
119.08563	1.5
121.10142	6.3
125.02357	4.2
127.03930	7.0
133.10115	1.4
143.03363	4.6
145.10080	1.3
149.09587	1.1
149.13264	6.5
153.01819	100.0
154.02119	1.8
167.14307	3.1
171.02890	13.6
187.14931	1.0
190.79515	0.9
191.14301	2.0
264.30408	1.0
297.06009	5.8
315.07047	16.3
385.94601	1.0
499.29794	1.1
534.16754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68453	1.8
53.03946	2.9
55.05496	4.3
57.03434	5.0
63.67842	1.6
67.05502	2.6
69.03426	9.7
75.04481	6.8
79.05482	20.4
81.03403	8.5
81.07056	5.1
83.04987	2.0
84.42855	2.1
85.02922	4.7
91.05467	16.2
93.07032	99.6
95.04973	6.5
97.02883	7.3
98.07117	1.7
105.04535	2.4
105.07024	9.0
107.08578	15.3
109.02878	4.0
111.08073	6.2
119.08566	13.7
121.10133	100.0
122.10493	2.1
123.11694	2.6
127.03905	3.8
131.08553	4.4
139.03929	2.1
139.11154	2.5
149.09604	21.4
153.01820	1.8
163.11243	2.0
167.10661	27.9
183.06526	5.0
207.06512	2.8
261.07538	5.4
279.08408	1.9
293.13916	4.9
293.70175	2.0
311.14987	11.1
516.19421	16.9
516.26575	4.2
517.20197	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	516.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.6
52.48709	1.6
53.03939	2.3
55.05504	4.2
57.03429	4.2
69.03436	12.0
69.37926	6.1
75.04482	10.2
77.03925	2.1
79.05486	18.1
81.03406	7.5
81.07054	4.8
83.04965	2.0
85.02898	7.2
87.18597	1.6
91.05474	13.9
91.21842	1.7
93.07038	98.6
95.04955	6.8
95.08596	5.1
97.02859	5.9
98.23423	3.6
99.04445	2.5
103.05479	2.5
105.04526	2.0
105.07037	9.9
107.04987	2.6
107.08599	15.2
109.02851	4.9
109.63208	1.6
111.04413	3.5
111.08075	7.2
119.08592	12.0
121.06514	1.9
121.10141	100.0
123.08062	1.9
125.05975	1.9
127.03876	3.2
131.08524	4.2
133.07616	1.9
139.11165	4.3
145.04964	2.3
149.09610	20.9
149.51018	1.7
167.10680	34.3
168.10973	2.1
171.06549	3.7
183.06494	5.9
207.06563	4.4
233.11333	2.1
239.62685	1.9
251.12651	2.6
261.07611	4.3
293.13800	7.0
311.14908	12.2
329.15936	2.2
404.29282	2.2
437.10406	2.3
438.39420	1.8
516.19281	18.5
516.26532	3.9
517.20074	8.2
539.29236	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44363	0.4
55.01859	0.5
55.05508	0.6
57.07065	1.1
67.05495	1.9
68.05006	0.7
69.03416	3.5
69.07050	0.8
69.45408	0.6
69.45741	1.9
75.53690	0.4
79.05492	2.0
80.05026	1.0
81.07054	1.3
82.06586	0.6
83.01338	1.6
83.04967	2.1
83.07359	1.3
85.06517	0.6
85.62091	0.4
86.06062	0.8
91.05453	2.8
93.07068	2.3
94.06577	1.1
95.04976	1.4
95.08607	1.4
96.08115	1.6
97.06482	0.5
98.06054	0.8
98.23392	0.7
99.04425	0.6
100.11272	0.5
103.05442	0.7
103.33162	0.5
105.07031	2.1
106.06528	2.4
107.08607	1.0
108.08082	0.9
111.08077	1.7
111.64693	0.4
117.39249	0.4
118.06517	0.6
119.04983	0.8
119.07314	1.0
119.08590	2.1
120.08096	9.1
120.08898	0.8
121.06487	4.1
121.08888	0.6
121.10132	1.0
122.09668	1.7
123.08059	0.7
124.11240	1.3
125.06016	0.6
126.12830	0.6
127.03925	1.1
130.06541	0.6
131.08560	1.4
132.08096	0.6
133.05232	0.8
133.06476	1.0
133.10132	0.8
134.06036	0.9
134.09683	1.3
135.08029	1.3
136.11186	0.7
137.05994	0.6
137.09604	1.6
138.06712	0.6
138.12778	1.9
139.03893	1.2
139.07527	0.5
144.08058	0.9
145.06502	0.5
145.10100	0.9
146.09644	1.8
147.06895	1.2
147.08054	3.0
148.07573	3.2
148.11197	1.4
149.05907	0.9
150.09058	0.6
154.12300	1.2
155.03423	0.6
158.09683	1.3
159.08051	0.9
160.07550	0.5
160.11182	0.9
161.08379	0.8
161.09657	0.7
161.11989	0.6
162.09128	5.2
162.12750	13.8
163.07541	0.9
164.14359	3.1
165.05478	0.5
165.09064	0.8
167.03423	1.6
170.11777	1.0
172.11237	0.5
173.09601	0.5
174.09087	0.7
174.12796	1.1
175.07454	0.5
175.09869	0.5
176.10745	1.1
176.14334	2.4
179.07108	0.7
181.08644	1.2
186.12764	1.8
187.11293	0.5
188.10709	1.3
190.12273	3.0
190.15903	0.6
191.06967	0.6
193.08542	1.1
193.10965	0.7
194.11763	0.7
195.10204	0.5
202.12227	0.9
203.09421	1.5
203.14291	1.1
204.10472	2.5
204.13817	32.2
204.17328	2.8
205.12416	0.6
205.14200	1.0
205.15938	1.3
206.19020	0.5
207.06532	1.2
214.15970	1.3
215.14261	1.2
218.11807	3.8
218.15433	1.5
231.13794	0.8
232.16930	15.0
233.15410	1.1
239.09149	1.9
242.15427	1.8
250.18011	4.5
258.14816	0.6
260.16443	26.1
261.16769	1.1
265.07019	13.6
265.10202	0.8
265.10822	0.6
278.17471	15.5
281.25961	0.5
283.08191	1.1
335.11029	3.0
418.22321	1.3
498.24838	1.5
516.25867	100.0
517.26862	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	516.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05501	6.0
56.21597	2.1
57.03431	3.6
67.05502	7.5
69.03416	4.8
69.17213	14.2
70.32996	2.3
75.04495	4.0
79.05482	20.5
81.03398	7.2
81.07047	10.2
84.79590	2.6
85.02902	4.3
91.05471	23.0
93.06441	5.1
93.07036	100.0
95.04957	9.4
95.08600	9.4
97.02889	2.6
97.06528	2.8
105.07008	13.9
107.08584	49.2
109.02883	5.3
109.10131	8.0
111.08058	4.5
119.08559	12.8
121.10143	66.1
122.09634	5.9
127.03972	2.7
128.50356	2.2
129.07082	2.9
131.08572	6.2
133.10098	6.9
135.11670	26.3
141.09230	2.2
145.10170	3.8
149.09610	11.4
167.10616	18.9
187.14941	2.8
226.14337	6.4
293.13971	3.2
311.14813	12.2
363.89737	2.6
416.36780	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	516.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01876	9.0
55.05504	9.7
57.03423	14.0
65.20048	4.7
67.05503	41.3
69.07062	10.7
79.05472	28.9
81.03416	39.4
81.07040	34.6
83.04971	14.2
83.08610	12.0
85.02899	12.5
85.06553	3.8
91.05464	38.6
93.07034	23.5
95.04959	13.1
95.08583	12.9
97.06524	5.4
98.23445	7.8
101.12175	3.9
102.47218	4.4
105.07011	37.7
107.04948	16.7
107.08580	20.9
109.06541	5.0
109.10145	38.7
111.08071	7.5
112.64031	3.8
117.07014	7.6
119.08566	12.2
121.10111	5.7
123.11693	9.2
129.07083	4.1
131.08589	8.8
133.10129	57.7
147.11656	7.2
151.11159	17.1
157.10097	6.9
161.09550	4.5
169.12265	8.1
175.11166	9.6
193.12190	24.7
211.13258	47.0
215.12875	5.8
216.82063	3.6
222.44012	4.0
253.14311	100.0
263.05063	4.4
267.90582	4.1
271.15524	26.9
285.16895	32.5
367.55768	4.1
380.44373	3.7
463.26682	12.2
481.28143	32.6
492.54105	4.7
516.30389	4.5
517.27612	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15635	1.2
56.96290	1.8
56.96558	17.4
57.41941	1.1
69.03421	2.0
69.91660	1.4
70.97992	1.1
71.43507	1.5
82.20757	1.1
84.96040	1.9
94.93011	2.1
96.08120	1.3
98.97576	24.0
98.98231	1.4
99.04472	1.5
110.97550	11.7
112.99143	2.0
116.98611	11.1
127.03873	1.5
128.98595	13.3
129.08035	1.3
131.00110	1.7
134.99638	3.0
143.00171	2.3
146.99658	6.3
152.98630	1.3
153.01790	7.7
156.98065	19.9
158.99620	9.7
161.01292	1.7
163.03766	1.4
170.99602	9.3
173.01176	1.5
174.99130	100.0
177.00690	5.8
179.07986	1.2
189.00620	8.1
193.00185	91.3
194.00476	1.6
201.00685	5.0
207.01855	1.7
209.26205	1.4
211.01134	4.1
217.00182	62.4
219.01671	7.1
229.00113	6.0
234.90945	1.6
234.99081	2.6
235.01225	24.3
237.00665	3.0
237.02838	6.9
247.01245	28.3
251.04407	2.2
255.01704	6.2
255.04070	1.3
257.03287	1.5
259.02185	1.6
261.02655	2.3
265.02240	4.2
269.05423	1.9
273.02774	6.2
277.02219	14.7
279.03827	4.8
293.05576	8.2
293.08221	1.3
303.01212	3.5
311.06485	1.4
319.03360	2.2
336.52164	1.6
336.90417	2.1
337.04401	90.8
338.04752	1.5
354.90662	2.4
355.03275	2.8
373.04388	2.6
394.99155	1.4
397.04669	3.0
399.06061	1.8
417.07007	3.3
475.07428	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12143	0.7
50.88507	0.8
50.90770	0.9
56.96554	7.4
61.04630	0.9
62.54683	0.7
69.69128	2.0
71.10599	0.8
71.10989	0.8
74.97634	1.2
86.09684	1.2
89.01606	0.8
98.22946	2.5
98.97583	17.0
103.61003	0.8
106.83500	0.9
111.50840	0.8
115.05173	0.9
116.98625	7.2
128.98647	1.0
134.99603	1.6
153.01820	2.7
156.07692	1.1
158.99629	7.1
160.99141	1.7
168.06511	1.0
177.00710	6.8
179.00191	5.2
189.44232	0.8
193.01720	14.3
197.01208	5.2
198.02007	1.1
200.54982	0.8
206.02487	1.7
211.02766	15.4
219.01637	4.3
219.03589	1.0
221.04765	4.0
224.03577	6.2
229.03975	1.4
237.04440	27.3
238.04662	0.9
239.05881	42.5
240.03044	2.4
242.04607	35.0
255.05438	6.1
257.06946	82.9
258.04233	1.2
258.07327	2.3
260.05652	15.6
265.07443	3.4
275.08005	6.8
280.08499	1.7
281.06912	3.3
283.08533	4.8
295.08487	14.7
299.08148	1.1
313.09543	25.9
331.10571	2.8
350.06064	1.0
355.10641	2.0
367.10516	1.5
383.10098	1.5
397.11618	2.0
448.92221	1.0
457.13782	100.0
458.14038	3.9
475.14951	9.4
517.15393	1.9
525.86884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2768
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
51.99852	0.6
54.77265	0.8
55.05506	3.2
57.03422	2.0
61.49310	0.7
67.05496	8.3
69.07053	3.2
71.42323	0.8
79.05496	5.4
81.03406	6.4
81.07046	5.7
83.04990	1.4
83.08613	2.0
91.05464	7.0
93.07039	4.6
95.04964	3.6
95.08598	3.4
97.10151	0.9
105.07028	4.9
107.04948	2.2
107.08562	1.7
109.06508	1.5
109.10150	2.8
111.08053	0.7
113.00023	2.2
117.07020	2.5
118.18866	0.6
119.08579	4.4
121.06483	0.9
121.10162	1.6
123.08061	1.1
125.09647	1.0
129.07019	1.8
131.08531	3.4
133.10124	2.3
135.11775	0.6
143.08501	0.9
145.06485	0.8
145.10136	1.6
147.11674	2.0
155.08525	0.7
157.10104	1.3
172.47214	0.7
175.11227	1.5
179.14313	1.2
185.13194	0.7
198.79147	0.8
233.15349	2.7
251.12518	10.3
267.15915	4.4
271.16989	1.1
275.20126	0.9
281.95712	0.7
291.15625	0.9
305.13644	1.0
307.15134	3.0
307.18704	1.4
331.26324	1.5
376.76929	0.7
405.29889	2.4
499.30231	1.1
517.27655	100.0
518.28027	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01874	1.3
55.05516	4.3
57.03423	2.2
67.05502	10.1
69.07061	3.8
71.04986	1.4
74.43114	0.7
79.05487	12.2
81.03412	5.4
81.07053	13.0
83.04968	1.5
83.08602	2.1
85.02863	1.1
85.06500	1.3
91.05472	13.6
93.07031	9.6
95.04941	4.5
95.08594	5.3
97.06520	1.1
97.10180	0.8
104.10726	1.2
105.07024	11.5
107.04915	3.5
107.08588	5.3
109.06493	1.0
109.10135	2.0
111.08045	1.2
113.00024	2.9
113.34831	0.7
117.07008	5.0
119.08574	7.5
121.06538	1.2
121.10141	2.4
123.08044	1.7
125.09618	1.1
129.06999	2.9
131.08568	7.3
133.10092	2.7
135.08054	1.0
135.11676	0.9
141.06987	0.8
143.08575	1.5
145.10117	3.4
147.08009	0.7
147.11621	1.6
149.09625	1.5
157.10101	0.7
159.08012	0.8
159.11656	2.5
163.11179	1.5
171.11636	1.1
173.13268	1.6
179.14310	1.2
187.11066	1.0
187.14778	1.3
191.14383	0.8
193.12199	1.9
197.13181	1.4
211.13271	1.0
233.15384	7.3
235.13002	6.0
249.10944	2.8
267.15945	2.6
291.15601	8.4
293.13675	0.7
305.13687	3.7
305.16840	0.7
307.19052	2.6
331.26392	1.2
358.60947	0.7
394.82559	0.8
405.29950	1.6
450.79230	0.8
499.30215	1.7
517.27618	100.0
518.27875	5.9
540.37671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03428	3.2
59.04991	2.9
61.02914	3.4
69.03418	9.3
73.02901	1.5
81.03413	5.1
85.02889	30.7
97.02879	11.0
99.03435	1.6
99.04477	1.8
109.02884	5.3
117.46958	1.2
123.04403	2.2
127.03919	8.1
129.05447	7.6
131.04871	1.4
145.04959	6.7
147.04372	14.8
147.06392	2.0
149.02321	4.4
153.01817	2.2
156.88806	1.5
163.03868	10.3
175.03888	3.7
177.01859	6.3
177.05437	2.8
180.08716	2.2
187.03929	3.5
189.05458	1.5
195.02873	2.0
203.03365	100.0
204.03699	1.7
205.04988	7.0
213.05362	1.6
215.03340	7.3
229.04849	1.8
231.02844	12.5
233.04408	4.3
261.03873	10.6
279.04971	19.5
290.41409	1.4
291.04941	22.9
303.04941	1.6
321.05936	5.2
339.07047	33.6
356.09604	2.7
518.15796	1.4
519.16840	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25731	0.8
53.40029	0.9
58.86439	0.9
62.68496	0.9
68.01385	1.4
70.06588	1.3
71.43555	0.9
78.15972	0.9
81.07073	1.3
84.98796	1.0
85.06497	1.3
85.73068	0.9
91.05469	1.7
97.02870	0.8
105.06970	0.9
106.06526	3.2
108.76105	0.9
112.80926	0.9
121.10087	1.5
122.06014	1.6
127.03909	1.5
130.06483	1.0
131.04922	0.8
131.07118	1.5
132.08052	3.4
134.09584	1.0
136.07581	3.4
137.05951	3.0
138.05573	1.4
140.07060	1.2
142.97369	1.0
146.09651	2.3
148.07513	2.9
150.09105	1.9
151.07489	1.8
153.01810	4.3
158.08171	1.3
159.09183	1.0
159.11581	1.2
160.07544	13.0
164.07056	3.4
166.08609	43.0
167.08992	1.3
169.12192	1.2
171.02811	1.1
171.09140	1.3
171.11716	1.9
172.07518	2.2
174.09134	5.6
178.08615	2.9
192.10120	1.6
198.09158	1.7
199.08633	4.6
200.07103	1.9
201.10320	1.6
202.08646	2.2
209.10747	1.0
211.20067	0.9
212.10847	1.5
213.10184	8.4
214.08810	1.1
215.08118	0.9
215.11818	3.1
218.07990	1.5
220.09631	25.3
221.10291	1.4
223.08592	1.5
224.09485	1.0
225.10060	1.5
226.08611	2.1
227.08116	5.3
227.11758	1.3
228.06514	2.3
231.11191	1.8
237.10146	4.0
240.10173	1.9
241.09683	10.4
242.10425	2.3
243.11230	8.9
245.09174	2.2
246.07570	15.7
251.08162	2.9
252.08971	1.5
255.11324	5.4
256.09448	1.3
259.10748	11.0
264.08600	3.1
265.09695	3.0
267.11319	2.1
268.09570	1.7
269.09195	16.8
270.07504	1.6
273.12271	2.8
283.10675	11.6
285.12283	8.4
286.10577	1.3
287.10199	11.5
287.13480	1.8
301.11765	29.3
303.13330	37.8
304.13647	1.3
305.15146	1.4
311.10205	16.6
315.07056	1.9
319.12881	1.5
323.15958	2.9
329.11261	100.0
330.11588	4.2
347.12338	18.4
348.12933	1.1
361.13867	65.7
362.13916	1.5
468.17621	5.6
486.18668	5.9
518.22076	1.4
519.23871	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	518.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02960	0.7
67.05479	1.0
68.01379	1.4
69.03429	0.9
71.43562	0.7
85.02882	0.9
91.05438	0.9
106.06552	2.1
108.08072	0.9
110.02395	0.8
122.02382	1.4
122.06017	1.6
132.08090	2.1
134.09793	0.8
136.07552	3.3
138.05478	1.1
139.22606	0.7
140.07100	2.3
146.09613	2.7
148.07587	2.1
150.09164	1.6
153.01804	1.6
158.40898	0.7
160.07561	10.8
164.07071	5.1
166.08626	33.7
170.09657	1.0
171.09148	2.1
172.07544	3.3
173.10730	1.8
174.09125	6.3
178.08556	3.7
184.07471	0.8
185.07086	1.1
186.05536	1.0
187.06224	0.8
192.10257	1.7
195.09258	1.1
196.06082	0.9
197.10590	0.9
198.09171	1.5
199.08626	6.4
200.07050	2.9
200.09206	1.5
201.10175	2.3
202.08586	2.2
204.06564	1.4
204.72960	0.8
207.06505	0.9
212.10742	1.6
213.10193	8.6
215.08197	1.7
215.11758	2.3
217.09781	1.2
218.08095	2.0
220.09665	25.9
220.11774	1.6
223.08731	2.6
225.10152	1.3
226.08644	2.2
227.08151	6.3
227.11810	1.4
228.06583	2.6
237.10228	3.2
240.10236	1.6
241.09721	10.1
242.08047	1.0
242.10454	2.9
243.11259	6.8
245.09271	3.2
246.07582	16.4
251.08154	3.2
252.08762	1.3
255.11246	5.9
259.10739	9.9
261.12393	1.0
264.08597	5.0
265.09668	4.1
267.11383	2.0
268.09601	2.8
269.09201	18.3
270.07446	0.9
273.12341	3.1
283.10690	10.8
285.12387	6.4
287.10226	12.3
287.13855	3.3
293.09146	1.1
301.11807	28.5
301.15280	1.4
302.12207	1.6
303.13364	28.9
305.14890	1.9
311.10263	16.3
323.15887	3.0
329.11282	100.0
330.11646	3.2
347.12317	19.5
348.12479	1.0
361.13907	71.7
362.14175	2.9
468.17572	5.7
486.18845	1.9
518.21997	0.8
519.29260	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01873	1.3
55.05492	1.2
57.03432	0.7
57.19148	0.7
60.32449	0.6
62.97986	0.6
69.03410	3.7
71.04985	1.5
79.01837	1.9
79.05489	6.8
81.03403	7.1
81.07049	23.2
83.04951	1.6
85.02915	3.1
91.05466	1.9
93.07029	3.4
95.04955	1.3
95.08596	1.2
97.02882	6.9
99.04425	1.4
105.07022	2.8
107.01278	1.5
107.08587	0.8
109.02863	4.8
111.08041	0.7
119.04956	0.8
119.08563	1.3
121.02864	1.6
125.02337	2.1
127.03925	5.9
133.10100	6.6
137.05965	2.7
143.03395	3.7
145.04955	1.9
153.01807	100.0
154.02089	1.4
171.02863	14.7
189.09091	0.8
190.13356	0.7
191.03453	0.8
204.03665	0.7
207.10193	1.5
215.06955	1.4
225.11081	1.2
233.08084	1.5
249.92853	0.7
252.91957	0.7
266.72635	0.7
295.05817	1.2
296.06375	1.1
297.06012	11.0
307.06000	0.9
308.06348	1.9
309.07089	0.9
315.07053	23.5
316.07175	1.0
321.07318	1.2
322.07846	2.1
329.11304	1.6
334.07901	1.4
335.08890	0.7
336.09436	1.4
337.06815	0.7
338.07431	1.0
346.07800	1.5
350.07422	1.9
352.08966	1.0
361.13931	0.9
362.07373	2.3
364.08884	1.4
380.08456	3.6
388.08676	1.1
392.08334	2.2
395.13162	1.2
397.08826	0.8
398.09567	1.9
410.09421	1.9
428.10431	0.9
434.09323	2.0
446.09604	1.0
452.10526	3.0
464.10757	1.3
470.11569	4.1
482.11517	4.9
500.12820	4.3
500.18848	0.9
518.01093	0.9
518.23071	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	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14698	0.1
53.79170	0.1
54.76649	0.1
56.05028	0.8
56.25146	0.1
57.02563	0.1
57.03415	0.2
58.06588	0.2
59.07375	0.2
60.08152	6.5
67.05494	0.4
69.07050	0.2
69.18394	0.5
71.07364	3.2
71.07739	0.2
79.05482	0.3
80.91339	0.1
81.07043	0.4
86.09690	31.3
91.05494	0.2
93.07015	0.3
95.08588	0.4
98.98450	3.5
104.10725	2.9
104.11375	0.2
107.08575	0.2
124.99981	22.2
143.01031	0.2
177.05423	0.3
179.97464	0.1
184.07309	100.0
185.07628	0.7
258.10999	0.2
411.76471	0.1
500.31396	0.8
518.32562	1.3
536.51483	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08897	0.3
55.05515	0.6
56.05031	1.6
57.03420	0.3
58.06596	1.2
59.07380	0.6
60.08157	18.9
67.05493	2.9
69.07079	0.4
70.06551	0.3
71.07368	7.3
75.73085	0.3
79.05495	2.0
81.07050	1.9
81.79855	0.3
86.09696	51.3
87.10004	0.3
91.05465	1.2
93.07024	2.0
95.04933	0.3
95.08582	1.5
96.28419	0.2
98.23413	0.9
98.98451	4.1
99.56735	0.3
104.10732	100.0
105.07009	0.3
105.11053	0.7
107.08577	0.9
109.10155	0.5
121.10139	0.5
122.25965	0.3
122.45570	0.2
123.67541	0.3
124.99992	28.9
129.71941	0.3
132.61368	0.3
135.11714	0.3
145.10023	0.3
163.01552	0.6
184.07320	96.8
185.07672	0.8
222.85349	0.3
258.11014	1.1
312.40646	0.3
335.25812	0.4
342.99640	0.3
441.23856	0.3
444.73260	0.3
500.31268	8.1
500.38281	0.6
518.32397	21.8
519.33386	1.3
521.77295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37119	2.2
56.96561	74.6
69.91978	4.7
69.92286	3.4
71.20454	2.6
71.95274	2.3
77.04135	2.4
84.96022	27.6
85.23377	2.4
88.85619	2.4
91.05803	3.3
98.22746	2.7
98.23331	5.1
98.97585	33.4
102.97082	4.5
110.30988	2.4
116.98619	28.9
127.61737	2.2
134.99637	19.8
153.00645	2.4
158.01231	2.3
163.00671	9.7
165.02197	11.9
167.00101	3.4
169.01790	5.1
177.02345	3.1
181.01692	15.7
183.03294	24.8
185.01192	6.0
185.21422	2.6
187.02751	4.3
189.02312	5.5
193.01714	40.1
195.03284	3.2
197.01166	3.0
201.04366	23.3
203.02287	6.8
207.03268	71.4
207.05112	4.5
211.02750	45.2
211.04605	3.4
217.01663	23.4
222.99124	5.7
223.02721	3.9
225.04324	61.4
225.06451	3.9
227.02267	13.9
235.02771	41.2
237.00650	15.0
245.03294	15.1
248.05911	2.8
249.04346	6.0
251.05919	3.2
253.03822	100.0
255.01755	76.7
261.00742	3.8
271.04889	46.0
273.02786	17.5
276.05408	3.4
277.03906	8.4
279.01642	18.6
295.04846	13.6
297.02789	26.3
299.05917	3.5
311.04614	2.5
315.03867	25.1
325.07352	4.6
333.05038	5.4
337.02460	3.8
339.03821	16.7
353.07050	4.4
357.04794	6.6
367.08517	10.5
367.15695	2.7
371.08054	3.0
373.04648	2.4
395.08057	17.5
397.05881	15.0
411.07578	4.7
413.08987	19.4
415.07172	13.6
421.06009	9.0
439.06866	13.1
441.04703	5.9
457.08005	8.1
459.05579	4.0
483.05841	4.1
501.07166	3.1
519.14606	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	519.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	59.2
69.83145	1.4
70.79839	2.5
72.08182	1.4
74.97614	1.7
84.95566	2.2
84.96029	26.5
91.60500	1.9
98.23059	1.8
98.97575	31.6
102.97073	2.1
105.15341	1.4
116.19318	1.4
116.98605	25.8
127.47271	1.5
134.99648	16.2
139.31152	1.5
163.00670	7.8
165.02232	7.2
169.01820	1.8
177.02264	3.2
179.00192	3.3
181.01671	11.2
183.03273	17.6
185.01237	5.5
189.02205	5.6
191.03737	1.5
193.01717	35.8
195.03320	1.9
197.01247	2.2
199.02711	2.5
201.04321	15.8
203.02209	2.6
204.98088	2.0
207.03270	59.7
211.02765	35.6
213.00691	2.0
217.01685	15.2
222.99153	4.9
225.04320	50.8
227.02257	11.6
233.04831	1.8
235.02745	31.5
237.00664	10.9
243.05354	2.0
245.03323	12.4
251.02275	1.6
251.05832	2.2
253.03827	100.0
254.04268	1.8
255.01746	73.1
261.00720	4.4
271.04886	38.2
273.02750	17.6
276.05600	2.2
277.03732	9.5
279.01678	15.8
290.57236	1.6
295.04755	12.2
297.02771	31.4
299.05923	3.0
315.03867	26.0
317.06979	3.9
325.07404	4.6
333.04828	4.0
339.03906	15.5
353.07074	6.5
357.05093	4.2
367.08563	7.7
371.07959	2.5
373.04446	1.6
385.09326	2.8
387.07437	2.3
395.07983	14.1
396.61945	1.4
397.05829	16.8
411.07361	3.8
413.08963	18.9
414.09485	1.6
415.06931	9.1
421.05969	6.6
439.07172	12.1
441.04980	3.2
443.06531	2.4
457.08014	9.2
459.05923	6.3
477.07199	1.9
483.05978	2.0
501.06964	4.7
519.07446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48730	2.1
62.71556	2.0
67.05504	2.6
73.04740	2.9
79.05498	3.1
81.07048	4.1
82.43005	1.9
91.05441	2.4
93.07082	3.9
94.04148	4.4
103.05489	4.8
105.07030	6.6
109.06512	2.5
121.10069	2.8
122.03615	8.2
131.04919	7.6
133.06464	3.5
137.05971	100.0
149.05942	2.6
161.05965	5.8
163.07559	3.2
175.07536	2.9
177.05409	3.1
205.06567	3.2
218.66423	2.2
220.49084	2.3
222.06886	2.8
224.08206	2.1
235.07509	4.9
249.09079	7.4
251.06892	2.8
252.07693	3.6
264.07727	3.5
265.08533	8.2
266.09314	6.0
277.08530	6.0
280.07288	4.9
293.11737	3.9
296.10342	3.6
299.06085	3.4
305.08331	3.6
311.12772	5.2
337.11212	3.3
339.12335	47.9
340.12973	2.3
342.11877	2.3
353.14124	10.9
365.13828	3.8
377.13779	5.1
381.10980	2.9
382.12021	3.6
383.14508	2.2
393.11252	3.1
410.11472	6.7
411.12415	3.4
425.13696	2.9
426.15021	10.6
429.16934	4.6
441.13278	2.6
457.16193	5.8
469.16440	20.6
470.16925	9.7
471.17587	5.4
489.19122	23.8
501.19092	31.0
519.19531	9.9
519.38611	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	519.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36023	1.6
62.04317	1.7
71.42984	1.7
74.03210	1.3
74.59956	1.6
79.05479	4.6
85.09207	1.5
89.03921	9.1
94.04167	1.9
103.05466	7.0
104.10735	3.3
104.79516	1.5
105.07018	22.1
106.07394	1.8
109.06471	1.7
117.03371	23.1
122.03637	5.2
131.04910	8.4
133.06474	20.8
134.03642	2.7
135.04393	2.1
137.05966	55.0
145.02838	51.5
149.05988	8.2
163.07529	5.0
165.09090	12.5
167.05582	2.7
177.05460	100.0
178.05827	2.1
206.07190	2.0
217.06496	2.7
220.05190	5.0
234.06703	6.5
235.07506	18.6
249.09105	8.8
262.06238	4.2
263.07034	35.8
264.07813	2.0
266.60849	1.8
277.08603	23.2
279.06250	2.2
283.03064	2.2
295.09616	29.6
299.06192	3.0
309.11194	18.9
323.12900	3.2
337.10696	19.3
355.11768	3.0
434.96417	1.8
519.19952	10.8
519.28119	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
63.02360	0.9
64.70289	0.4
65.03922	0.5
78.04717	0.5
79.05489	4.5
81.07049	0.7
81.31296	0.4
86.76253	0.5
88.12838	0.4
89.03905	12.9
90.60748	0.4
91.05466	2.0
91.38151	0.4
94.04158	2.5
95.04951	1.8
98.22604	0.9
98.23274	2.7
103.05456	7.3
105.07021	23.4
107.04937	1.6
109.06502	0.9
115.05433	1.2
117.03369	28.3
121.06496	0.7
122.03645	6.4
124.05158	1.0
131.04916	9.7
133.06479	20.1
134.03612	2.3
134.97659	0.4
135.04390	2.1
137.05963	51.2
145.02835	60.0
146.03348	0.6
148.85542	0.5
149.05960	9.9
151.07530	0.9
161.05945	2.7
163.03845	1.2
163.07524	5.0
165.09103	13.4
166.09544	0.5
177.05452	100.0
178.05785	2.0
179.07027	1.9
179.08443	0.5
186.05522	0.9
189.06992	2.5
192.05638	0.7
194.07350	0.8
195.10132	0.5
206.07248	1.6
217.06485	2.1
218.07236	0.8
220.05161	6.6
233.05928	0.8
234.06725	6.8
235.07501	19.6
236.07938	0.6
237.09065	0.9
245.06003	0.9
246.06728	0.6
248.04689	1.1
248.08286	0.6
249.09082	9.4
250.06293	0.7
250.09464	0.6
251.07108	0.9
252.07756	0.6
262.06186	3.4
263.07022	31.0
264.07587	1.4
265.08536	0.9
267.10303	0.7
271.09854	0.4
277.08563	21.2
278.09186	2.2
279.06519	1.4
280.07297	0.5
285.49625	0.5
291.10187	1.3
294.08914	2.2
295.09631	33.9
296.10110	1.5
297.11276	1.0
305.08057	0.8
309.11163	15.8
310.11703	0.9
313.10617	0.8
322.08228	0.7
323.12753	1.9
337.10657	18.1
338.10800	0.7
339.08401	0.6
341.13754	2.0
355.11774	2.7
406.91989	0.5
501.19138	0.7
519.20288	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55380	0.4
60.08147	0.9
63.02354	0.7
71.07359	0.8
78.04721	0.5
78.35487	0.3
79.05486	0.8
83.62418	0.4
86.09695	7.1
86.77296	0.3
87.10017	0.8
89.03909	9.4
91.05466	1.4
93.07024	0.3
94.04170	0.8
95.04929	0.8
98.22721	1.1
98.23415	1.0
98.98470	1.0
103.05476	1.8
104.10728	0.6
105.07001	2.2
107.04929	1.6
109.06497	0.9
114.51084	0.3
115.05389	0.6
117.03368	23.5
119.04906	0.6
121.06497	0.5
122.03661	1.7
123.08128	0.3
124.99995	4.9
131.04929	2.8
133.06483	1.1
134.03644	1.7
135.04395	1.3
137.05962	14.0
138.07729	0.3
145.02834	49.3
146.03508	1.3
147.04379	0.4
149.04831	0.6
149.05969	8.2
151.07574	1.9
151.08569	0.3
161.05954	3.0
162.03145	0.4
163.03903	0.6
163.07513	2.2
165.06941	0.5
165.09090	0.7
175.07475	0.4
177.05452	100.0
178.05814	1.6
179.07054	0.4
179.08485	0.5
184.07330	19.7
185.07716	2.1
186.05467	0.7
189.07005	0.5
191.07076	0.6
191.47070	0.3
193.06427	0.6
194.07314	1.6
202.08069	0.3
203.08612	0.8
205.06573	0.8
205.10144	1.1
209.08046	2.3
211.07466	0.6
218.07306	0.7
219.08090	0.7
220.05165	0.5
221.05919	0.5
222.06763	1.2
223.07552	0.7
232.08850	0.5
233.09456	2.1
234.06688	1.6
234.10367	0.4
235.07434	2.4
236.07982	0.5
237.09065	1.5
239.06961	0.4
247.07556	0.7
248.08359	0.8
249.09120	1.5
250.06244	0.5
250.09894	0.6
251.07016	0.9
261.09042	2.2
262.06207	0.9
263.07022	2.6
263.10461	0.4
264.07822	0.7
265.08563	3.1
265.12347	0.5
266.12183	0.4
267.09982	0.5
271.09601	0.4
276.08044	0.4
277.08575	4.2
278.09329	0.5
279.06573	1.1
279.10080	0.8
280.07245	1.1
282.08774	0.6
284.10077	0.4
291.07050	0.4
291.10175	1.5
293.08292	0.7
293.11740	1.6
294.08884	1.3
295.09644	6.6
297.11206	3.2
297.14255	0.6
303.10034	0.8
305.08087	1.2
305.11313	0.3
307.05948	1.1
307.09302	0.7
308.10306	0.6
309.08133	0.5
309.11194	3.2
310.11993	0.4
319.09729	0.7
320.10461	0.4
322.08206	1.8
323.09225	0.6
323.12592	1.7
325.14243	0.8
335.12738	1.1
337.10684	9.1
338.11279	0.9
341.13724	0.7
351.12213	2.4
353.13763	3.4
355.12054	0.9
365.13754	0.7
377.13623	0.4
383.14832	1.9
395.15106	2.3
399.12152	0.4
441.59683	0.3
469.16306	0.9
473.15738	0.7
477.18958	1.0
487.17630	0.7
501.19186	4.1
519.20093	14.8
520.20630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87930	0.4
63.17491	0.4
69.03449	0.5
79.49783	0.4
81.03412	0.4
81.07063	0.4
89.33069	0.4
91.05452	0.5
93.06990	0.4
105.07058	0.4
119.08575	0.3
121.10116	0.5
137.05981	1.2
167.06999	0.4
185.86371	0.3
208.05399	0.4
220.65463	0.4
238.72728	0.4
333.93710	0.4
357.18799	3.0
459.22125	0.6
487.21478	0.8
501.23001	0.4
519.24042	100.0
520.24396	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	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03437	0.7
64.95338	0.3
67.05510	0.5
69.03445	0.5
71.43168	0.3
73.82475	0.3
81.03416	0.7
81.07036	0.5
85.02929	0.5
91.05451	0.5
93.07038	0.8
94.04181	0.5
97.02876	0.4
101.53246	0.4
105.07023	0.8
107.08578	0.5
109.94714	0.4
113.69533	0.4
119.08595	1.1
121.10144	0.6
127.03927	0.5
131.04910	0.4
133.02846	0.5
137.05989	2.9
145.10205	0.4
151.07532	0.5
157.10121	0.5
161.09627	0.5
164.76730	0.4
175.07578	0.6
177.11612	0.4
203.05238	1.1
233.11685	0.4
234.75781	0.4
235.83118	0.5
258.35086	0.4
259.07974	1.1
283.15106	0.6
303.52319	0.4
315.72302	0.4
357.18854	2.3
445.47675	0.4
459.22415	0.6
474.51431	0.4
483.30850	1.0
487.21783	1.8
501.32376	0.5
510.49106	0.4
519.24103	100.0
520.24341	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	519.2928
Annotation	Segetalin G
Peak:m/z	Relative Intensity
67.05504	2.8
68.92778	0.8
69.07042	0.8
69.22791	4.6
75.32140	0.6
79.05494	1.6
79.06365	0.7
81.07059	2.8
93.07049	2.6
95.08596	1.1
98.23274	2.6
105.07053	0.9
107.08575	0.9
114.26184	0.8
116.92042	0.8
119.08569	0.7
121.10107	0.9
137.06007	0.9
145.02861	1.1
149.13243	0.9
150.99248	0.7
153.46138	0.7
177.05440	2.2
235.13040	3.6
247.84042	0.7
251.12544	5.5
261.80505	0.7
269.06479	0.8
277.87665	0.9
291.15628	6.7
299.06573	1.0
307.15097	1.0
519.29236	100.0
520.29852	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	519.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.05496	6.5
56.84998	1.6
57.07066	1.9
60.02697	2.0
67.05484	7.6
69.03423	9.2
69.07056	3.1
79.05486	18.7
81.03405	7.0
81.07050	13.4
83.04963	2.5
83.08582	2.7
85.02901	4.2
91.05449	17.1
93.07036	46.5
95.04967	8.9
95.08613	8.5
97.02893	2.4
97.06498	2.6
103.03828	2.1
103.05444	1.9
105.04551	1.9
105.07021	28.0
107.04952	3.9
107.08580	27.1
109.02843	3.1
109.06487	4.9
109.10157	9.4
115.05457	2.2
116.06226	1.9
117.06997	4.7
119.08559	15.8
121.06486	2.9
121.10131	68.7
122.07276	6.4
122.10519	2.2
123.08050	4.6
123.11649	2.7
123.43428	1.8
129.06979	3.3
129.22585	1.7
131.08568	9.5
133.07591	2.9
133.10115	100.0
134.10419	1.8
135.08073	9.1
135.11647	1.8
137.09605	48.2
139.11125	1.7
143.08549	4.1
145.10081	5.3
147.11665	4.9
149.09607	57.4
149.13242	11.7
157.10144	4.4
159.11674	3.7
161.09697	2.4
161.13242	4.8
163.11143	3.2
167.10629	2.4
171.11678	2.3
173.13234	6.8
175.11133	2.4
175.14835	2.9
185.13220	1.8
191.14299	36.0
191.88663	1.7
201.12791	1.8
209.15291	4.1
291.54675	1.9
293.13815	4.6
299.06171	2.9
311.14670	8.5
347.12836	1.6
357.85788	1.6
408.72321	1.8
437.30347	2.3
465.29755	6.2
468.40826	1.8
483.30920	6.4
501.32196	11.3
519.18024	5.4
519.33521	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	520.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30288	0.2
66.94723	0.2
69.74786	0.6
72.24235	0.2
79.01837	0.3
81.03430	0.5
85.02869	0.3
105.03381	0.6
109.02889	0.2
125.02320	0.3
132.04420	1.1
143.03412	0.4
150.05463	1.0
151.07608	0.3
153.01813	6.2
160.03934	0.9
178.04968	91.3
179.05318	1.4
206.04460	100.0
207.04797	2.2
216.50278	0.2
297.05957	0.6
315.07056	0.3
368.09683	4.7
418.03824	0.2
473.41818	0.3
520.10822	6.3
521.11316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52224	1.8
53.03938	3.8
54.74360	1.6
55.05508	11.4
57.03401	2.3
57.07082	4.1
59.04977	3.0
67.05491	15.2
69.03413	7.6
69.07069	10.6
69.07392	2.4
69.42110	5.6
69.42497	4.6
70.55704	2.0
71.04980	31.6
73.06536	6.8
76.07626	2.2
76.08289	1.8
79.05480	17.1
81.03412	7.1
81.07053	34.2
83.04966	3.1
83.08590	7.1
85.02898	15.4
85.06519	4.6
87.00820	8.6
91.05472	15.6
93.07036	38.5
95.04948	5.0
95.08589	39.7
97.02887	4.3
97.06516	5.6
97.10149	2.6
98.23528	1.9
99.08080	5.5
105.01857	7.2
105.07021	50.2
107.08583	34.9
109.02857	5.5
109.06500	3.7
109.10154	21.6
117.06960	4.2
119.08574	18.3
121.06506	2.4
121.10136	23.1
123.08133	1.8
123.11700	7.8
125.09612	30.1
126.09944	2.2
127.03906	8.6
127.07565	4.6
127.11163	5.3
128.01973	2.4
131.08549	9.0
133.10123	68.1
135.11674	5.5
137.05988	6.1
137.09532	2.6
143.10667	43.5
145.04935	4.1
145.10130	16.6
147.11661	18.0
149.09610	3.9
149.13245	32.8
151.11171	5.4
152.26202	2.0
159.02814	2.7
159.11707	11.5
161.13246	9.3
163.11131	2.9
165.12750	2.8
167.14302	100.0
169.12169	3.8
173.13222	3.3
175.07538	3.8
177.12625	2.2
191.17883	3.0
201.16345	18.9
203.18044	2.7
209.15393	4.1
219.17424	56.0
231.04919	3.7
237.18416	8.2
305.96292	2.1
373.14856	2.3
520.25055	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
54.15372	1.6
55.01867	4.5
55.05513	6.2
57.03431	3.9
57.07066	2.6
61.02926	2.7
62.94643	1.7
65.03957	1.9
67.05505	6.7
68.99793	2.5
69.03426	18.9
69.07067	16.4
69.28935	7.4
69.29343	3.2
71.04993	8.9
73.02927	3.1
79.05488	14.8
81.03415	11.3
81.07056	24.2
85.02901	52.7
85.06510	2.2
87.00824	22.6
91.05475	19.5
93.07043	59.0
95.04961	6.0
95.08596	15.7
97.02885	19.9
98.03152	1.6
99.04461	10.4
105.01857	33.5
105.04514	3.0
105.07033	16.7
107.08587	100.0
108.13643	1.5
109.02857	15.0
109.06503	3.7
109.10158	9.3
117.01813	1.7
119.08561	6.6
121.09270	3.3
121.10136	46.2
123.11717	4.6
124.13037	1.9
127.03909	36.5
129.01906	2.3
130.07782	1.8
131.08566	6.3
133.10144	6.3
137.05974	3.9
145.04953	19.7
145.10127	12.6
147.11693	5.6
148.67624	1.6
149.13245	93.5
151.11150	3.4
151.14871	2.2
159.02863	9.7
159.11688	7.6
161.13287	3.9
167.14330	7.3
168.47679	1.6
173.13226	3.0
189.03949	2.8
201.16402	11.0
203.17876	3.1
213.03909	2.5
219.17474	4.3
231.05008	10.9
237.18672	2.0
241.36174	1.8
249.06142	3.1
257.15427	4.2
268.78467	1.7
275.16562	4.2
373.17880	2.0
485.85889	1.9
488.17987	2.7
520.18817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
53.73239	5.1
55.01865	11.0
55.05499	5.8
57.03439	5.7
57.53546	5.3
67.05508	5.3
69.03418	27.0
69.07074	8.0
69.47451	21.7
71.04987	9.3
73.02903	15.2
79.05495	16.1
81.03423	14.9
81.07056	41.5
85.02895	58.7
87.00823	25.4
91.05482	27.4
93.07042	68.7
95.04983	11.4
95.08582	28.1
97.02884	27.9
99.04449	11.2
105.01868	35.5
105.07030	22.8
107.08588	100.0
109.02888	23.2
109.06566	6.6
109.10134	11.8
119.08585	14.3
121.10143	41.1
127.03905	40.2
129.01862	5.6
131.04984	6.6
131.08540	9.9
133.10139	16.8
133.15381	5.3
137.05974	19.7
145.04974	23.3
145.10130	21.9
147.11621	6.8
149.13237	76.9
149.14282	6.4
151.14621	5.3
159.02916	6.2
159.11676	21.2
161.13274	11.1
163.07570	6.1
167.07031	16.1
167.14265	14.3
177.05397	9.6
181.04929	8.5
181.06433	5.0
192.54880	5.0
201.16437	19.4
207.13635	5.7
214.18025	5.5
257.15500	6.7
273.96600	4.8
371.14966	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.05500	6.6
55.63263	2.3
57.07074	2.7
67.05499	11.0
69.03414	7.0
69.07063	8.9
70.49630	4.4
71.04983	26.6
72.36057	1.9
73.06566	4.7
79.05489	10.8
81.03391	3.1
81.07040	33.4
82.42065	2.1
83.04953	2.9
83.08612	4.2
85.02901	10.9
85.06516	3.0
87.00832	6.2
91.05465	13.0
93.07034	24.3
95.04955	4.7
95.08588	39.0
97.02886	3.6
97.06525	5.8
99.08104	3.9
105.01866	5.4
105.07017	31.6
106.33039	2.6
107.08591	29.1
109.02842	2.7
109.10146	21.5
117.07063	2.4
119.08567	15.0
121.10101	20.1
123.11679	10.4
125.09604	21.9
127.03924	7.4
127.07568	4.3
127.11177	4.7
131.08578	6.6
133.10121	50.9
143.10675	29.5
145.10117	9.8
147.11649	18.2
149.13248	35.0
151.11168	3.2
159.11687	13.5
161.13225	4.2
167.14302	100.0
168.14693	2.7
201.16364	12.1
219.17442	39.9
225.91891	2.4
237.18546	7.9
322.43433	2.4
423.40076	2.2
446.00137	2.4
449.21530	2.7
523.90540	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
55.79856	0.1
56.05040	0.6
57.03452	0.2
58.06627	0.4
59.07379	0.1
60.08159	6.0
64.03929	0.1
64.13881	0.1
67.05494	0.7
69.07056	0.2
69.56946	0.4
70.06566	0.2
71.07366	3.7
79.05460	0.2
80.97421	0.1
81.07038	0.7
83.08637	0.1
84.32613	0.1
86.09700	32.0
87.10029	0.3
91.05434	0.2
93.07022	0.3
95.08605	0.3
98.22744	0.2
98.98457	3.3
104.10737	3.1
105.07051	0.1
107.08602	0.2
109.10165	0.2
124.99994	22.8
127.30640	0.1
133.22630	0.1
143.01018	0.3
162.58186	0.1
184.07326	100.0
185.07655	1.0
207.09302	0.1
258.11121	0.2
335.34290	0.1
337.27441	0.2
406.05661	0.1
502.32684	1.0
520.33954	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74590	0.2
55.05510	1.1
56.05032	1.3
57.03411	0.5
58.06578	1.4
59.07389	0.3
60.08157	17.3
66.24964	0.2
66.37292	0.2
67.05498	2.7
69.07066	1.4
71.07367	7.5
79.05474	0.9
81.06617	0.3
81.07049	2.9
83.08605	0.5
84.43063	0.2
86.09696	52.5
91.05463	0.6
93.07034	0.6
95.08596	1.2
97.10185	0.2
98.98455	4.6
104.10732	97.3
105.06965	0.3
105.11051	0.9
107.08601	0.4
109.10148	0.5
119.08512	0.3
122.03665	0.2
123.11697	0.3
124.99988	30.4
133.10130	0.4
142.25327	0.2
143.01068	0.2
163.01524	0.5
181.02634	0.3
184.07318	100.0
185.07642	0.7
258.10995	1.1
337.27383	1.3
378.04260	0.2
378.78217	0.2
482.31836	0.2
497.60608	0.2
502.32861	8.0
503.32941	0.3
520.33917	23.1
521.34399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39095	55.5
89.12047	21.8
116.42851	24.7
129.46899	22.0
209.67599	23.4
251.57726	24.0
301.06790	30.7
394.99380	43.8
426.30551	23.7
470.23865	27.0
521.02966	100.0
521.13904	54.1
522.19403	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	521.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75083	0.4
53.59534	0.5
54.15999	0.4
58.19387	0.5
63.00424	0.4
69.06907	2.4
69.64874	0.4
78.79347	0.4
86.01756	0.5
122.35418	0.4
130.49353	0.4
132.45139	0.5
137.06042	1.0
150.24120	0.4
191.03163	0.9
206.05470	6.0
207.06305	3.8
267.83014	0.4
337.05267	3.9
437.55051	0.4
491.12418	0.4
493.64453	0.5
521.12646	100.0
521.20990	4.6
522.13098	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	521.1996
Annotation	Brusatol
Peak:m/z	Relative Intensity
52.36486	0.5
53.27208	0.3
57.52094	0.3
59.82416	0.4
69.21381	1.1
69.21806	1.3
71.01845	0.4
85.06586	0.4
98.23460	0.8
100.65467	0.4
107.05008	0.4
122.03629	0.4
128.10191	0.4
137.05969	5.3
151.03996	0.4
151.07510	1.0
151.64761	0.4
161.05960	0.7
167.07043	0.5
169.04770	1.0
175.07501	0.4
177.01616	2.6
192.03918	15.9
193.04762	1.4
207.10014	1.0
275.83972	0.5
351.14120	3.3
367.15356	0.6
449.92963	0.4
490.17987	1.0
491.18954	1.1
521.19922	100.0
522.20441	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	521.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01658	0.5
55.01870	5.3
55.05518	0.4
57.03180	0.6
57.03436	8.3
61.02930	2.1
65.03922	1.8
66.04700	0.5
67.05486	1.1
69.03430	2.8
69.07059	0.5
69.27158	1.9
71.01348	0.7
73.02915	15.9
76.61926	0.4
77.03930	0.8
78.04700	1.3
79.05477	2.1
80.39371	0.4
81.03419	0.4
81.07024	1.2
82.04195	0.6
85.02891	3.2
88.56628	0.4
89.03899	1.1
91.05463	3.3
93.07022	1.7
94.04169	1.3
95.04969	3.2
95.08606	0.8
97.02876	1.7
97.06509	0.5
98.97603	0.5
99.46739	0.5
103.05463	6.7
105.04521	0.5
105.07021	1.9
106.04160	1.0
107.04352	0.6
107.04964	6.3
107.08571	0.9
109.02831	0.5
110.03652	0.6
115.03899	1.6
115.05424	1.2
117.03344	0.7
117.07003	1.6
119.08556	0.8
121.06495	3.5
122.03635	2.3
122.09650	1.6
123.04416	4.0
124.05206	1.3
125.05980	0.8
127.03881	0.6
128.06195	3.9
129.06999	12.3
130.04091	0.4
131.04924	9.4
131.08560	3.0
133.06479	1.8
133.10118	0.7
134.03632	0.8
135.04332	0.6
135.11676	0.9
137.05971	29.1
140.04672	0.9
143.04913	0.8
145.02811	0.5
145.06450	1.9
146.03619	0.7
147.04431	1.0
149.05968	12.2
151.03891	0.7
151.07524	3.5
152.04649	1.1
153.05464	1.7
155.07014	1.6
157.06479	13.1
158.06979	0.4
159.04388	2.3
159.07996	2.0
160.05144	1.0
161.05962	4.8
161.09593	0.6
162.06746	0.9
163.03873	1.3
163.07536	6.7
165.05405	0.6
167.07030	60.6
168.07430	1.4
171.06554	1.2
171.08093	0.5
173.05948	0.5
174.06775	5.1
175.07538	4.0
177.05458	25.7
177.08978	0.9
179.07013	0.9
181.04945	17.7
181.08490	1.1
183.06528	1.2
185.06009	3.1
187.07530	1.6
189.09087	15.5
191.06941	0.7
191.10631	1.5
193.08617	1.0
193.93416	0.4
199.07565	0.7
203.06946	0.6
205.08603	1.4
207.10092	0.6
209.08075	7.7
215.08615	0.8
217.08574	9.0
218.07214	1.4
219.08098	0.9
219.10205	1.9
233.09653	1.8
235.07594	1.1
235.09683	0.9
246.06833	1.2
247.07472	1.0
249.08987	0.8
259.07504	0.6
260.08380	0.6
261.09079	4.7
262.09735	0.7
263.07123	1.0
263.10455	0.6
264.07602	0.7
277.08640	1.9
278.09363	1.8
279.10049	0.7
289.08600	1.5
291.10147	0.9
293.11749	2.0
303.10223	0.7
306.08978	0.9
307.09534	2.4
309.11154	0.6
321.11151	4.9
322.11945	1.3
331.16248	0.7
339.12195	1.9
340.12735	0.5
341.13937	1.3
353.13797	1.4
356.12619	0.7
358.33429	0.5
359.14886	1.9
371.14868	100.0
372.15277	4.1
373.16406	0.6
389.15842	1.9
461.17114	0.7
491.19238	1.2
521.20154	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	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
51.02371	0.6
53.03950	1.1
55.05505	2.0
60.00043	0.5
62.79134	0.6
65.03918	0.6
67.05520	0.6
69.03416	6.2
69.07078	0.8
70.78637	0.9
77.03922	1.2
79.01854	1.7
79.05486	11.8
81.03403	1.7
83.04971	1.8
85.02898	0.9
90.24592	0.5
91.05468	2.6
93.07037	1.1
95.04957	4.8
95.08591	1.0
97.02867	1.7
98.22684	0.7
103.05446	5.4
105.04507	1.4
105.07020	8.3
107.08588	2.8
109.02865	1.6
109.06496	0.8
119.08573	3.5
121.06516	6.1
121.10114	1.4
123.08055	2.1
125.02348	0.9
127.03918	1.6
130.06168	0.6
131.08554	1.3
133.06479	100.0
133.10103	2.2
134.06819	2.2
135.08044	2.8
137.05959	2.9
143.03391	2.6
145.10101	0.9
147.08041	2.6
147.11678	2.2
151.07530	0.9
153.01816	36.8
153.02875	1.6
156.09317	0.9
158.10909	0.8
159.08006	1.3
161.05901	0.8
161.09575	1.2
163.11159	7.0
164.11485	0.7
164.66655	0.6
171.02896	3.4
173.13266	1.3
174.10364	0.9
189.12726	25.6
190.13019	1.2
191.14299	14.8
196.08743	0.7
207.13777	20.4
215.89755	0.6
259.07352	0.7
297.05969	1.8
315.07022	2.4
323.12561	0.6
521.24792	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36536	0.4
55.01868	6.9
55.05498	0.6
56.96545	1.0
57.03432	10.3
61.02901	1.5
62.84948	0.5
65.03925	1.1
67.05480	1.6
69.03416	2.3
69.07059	0.8
70.65386	0.5
71.01340	0.5
73.02911	18.8
77.03911	0.9
78.04688	1.2
79.05490	2.7
81.03407	0.9
81.07038	2.3
82.30367	0.4
85.02906	2.6
85.03333	0.4
89.03901	1.3
91.05473	4.6
92.33823	0.4
93.03391	0.5
93.07014	2.5
94.04167	1.1
95.04971	3.3
95.08587	1.2
95.57172	0.5
97.02897	0.9
97.06514	1.1
98.97561	3.2
103.05450	8.0
105.03380	0.5
105.07037	2.8
106.04185	0.6
107.04949	6.3
107.08627	1.2
109.02894	0.5
109.06499	1.0
109.10168	0.9
110.03652	0.8
110.97572	0.8
111.04435	0.8
115.03909	0.9
115.05452	1.3
116.06165	0.5
116.98613	1.3
117.03345	0.7
117.07014	1.2
119.04900	0.6
119.08578	1.1
121.06486	5.3
121.10108	2.0
122.03621	2.8
122.10465	0.5
123.04436	4.7
123.11746	0.5
124.05171	1.2
124.99113	0.5
125.05959	0.9
127.70183	0.4
128.06180	3.9
128.98630	0.7
129.05510	0.8
129.06989	14.9
131.04913	11.1
131.08571	2.5
133.06476	1.4
133.10110	0.9
134.03653	0.8
135.04396	1.1
137.05960	36.0
138.03143	0.5
138.06335	0.6
138.17578	0.5
140.04713	1.0
143.08528	0.4
144.05733	0.8
145.06468	1.9
146.03519	0.6
146.07278	0.5
147.04407	1.5
149.05962	13.9
150.06409	0.5
151.03902	0.7
151.07547	3.0
152.04649	1.0
153.05446	1.3
155.05956	0.5
155.07021	1.1
157.06473	12.9
158.07190	0.9
158.99603	0.8
159.04361	2.8
159.08012	2.4
160.05165	1.1
161.05975	6.0
162.06683	0.7
162.13588	0.5
163.03899	1.3
163.07521	8.1
165.05476	1.0
167.07021	62.8
168.07372	1.7
170.99672	1.0
171.06462	1.2
171.07944	0.6
173.05968	1.2
174.06761	5.4
175.07527	4.2
177.05455	27.8
181.04944	19.8
181.08545	1.6
183.06456	0.9
185.05962	2.9
187.07533	2.2
189.09081	14.9
190.07712	0.5
191.07019	1.0
191.10649	1.6
193.08580	0.9
199.07588	0.8
201.05540	0.5
201.09132	0.9
203.06941	0.6
205.08611	1.5
209.08067	8.4
215.08641	1.2
217.08585	9.3
218.07277	1.7
219.01785	1.3
219.08107	1.0
219.10126	2.5
221.08075	1.4
233.09753	2.4
234.06520	0.5
235.07547	0.9
235.09641	0.8
237.02850	1.7
246.06676	1.0
246.36215	0.6
247.07428	1.5
248.08330	0.5
249.09015	0.6
250.09758	0.8
260.08286	0.7
261.09100	3.8
262.09680	0.8
263.07025	1.4
263.10541	0.5
264.07761	0.7
265.08389	0.6
275.06918	0.5
277.08609	2.3
278.09348	1.5
279.09955	0.7
289.08511	1.3
291.06757	0.5
291.10028	1.0
293.11707	3.5
294.08398	0.5
295.09583	0.7
303.09854	0.6
306.08792	1.1
307.09549	2.8
309.11301	0.5
311.12726	0.7
321.11130	5.4
322.11923	1.7
323.12576	0.6
338.11301	0.6
339.12311	2.2
347.13654	1.6
353.13754	1.5
355.15244	0.6
359.14886	1.8
371.14856	100.0
372.15341	3.7
373.16333	0.7
389.15866	1.8
436.27762	0.5
445.49194	0.5
461.16852	6.4
462.17557	0.5
491.19226	1.8
521.20050	6.7
521.32355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64870	2.2
55.05518	3.0
59.04997	8.7
67.05502	5.5
69.03421	13.1
69.07065	5.4
71.04990	4.4
75.14437	2.0
76.98738	1.9
79.01855	6.8
79.05488	6.4
80.14606	2.4
81.03423	7.0
81.07061	6.0
83.04976	6.3
85.02893	6.4
89.08321	2.0
91.05482	9.3
93.07047	7.9
95.04954	3.5
95.08603	10.0
97.02882	6.1
97.06517	3.0
100.18543	2.1
103.05466	4.9
105.07013	18.6
107.01342	2.5
107.08569	11.6
109.02884	6.1
109.06503	11.5
109.10145	3.4
115.05495	2.6
119.04966	3.6
119.08580	23.9
121.06467	4.6
121.10117	10.0
123.08057	20.7
123.11747	2.7
125.02348	3.7
127.03925	6.0
131.04936	5.0
131.08521	4.5
133.06499	4.7
133.10115	18.8
135.08046	5.1
135.11664	4.5
137.06004	7.2
137.09621	5.0
143.03392	7.4
143.08574	4.1
145.10060	3.1
147.08018	11.4
147.11661	10.4
148.05234	2.2
149.09593	20.3
151.03850	2.1
151.07510	2.4
153.01811	100.0
156.09340	8.5
159.08051	16.8
161.05977	4.3
161.09637	4.5
161.13219	10.8
163.07513	2.3
163.11180	4.0
169.10364	2.5
171.02898	8.7
171.11729	8.2
174.10382	38.5
179.03398	4.2
179.14314	3.5
181.04973	3.8
187.11215	3.4
189.12727	77.9
207.02904	2.5
207.13780	54.1
211.07501	5.6
221.04359	2.4
225.09103	2.3
231.09967	2.5
232.29138	2.0
239.06917	3.3
247.92751	2.1
257.08069	7.4
262.09839	2.9
283.09399	2.1
285.07492	4.5
290.09125	2.6
294.08630	2.6
297.06091	6.8
299.09073	3.2
305.11450	2.5
313.14447	4.1
315.07150	7.0
323.12692	6.0
324.68527	2.4
341.13776	57.3
483.92609	2.4
503.19131	2.8
521.21869	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03940	1.8
55.05502	1.3
57.54821	0.5
67.05527	0.7
69.03423	6.1
69.07090	0.7
70.93088	0.9
77.03915	1.5
79.01839	1.5
79.05484	14.4
79.78134	0.6
81.03394	1.4
81.07043	1.2
83.04961	1.8
85.02899	1.1
91.05457	3.3
93.07048	1.0
95.04956	5.4
95.08578	0.8
97.02887	1.9
100.87920	0.6
101.43465	0.6
103.05452	5.2
105.04497	1.7
105.07021	7.9
107.08585	1.7
109.02864	1.4
109.06507	1.0
117.07001	1.0
119.08578	2.3
121.06512	4.6
121.10140	1.7
123.08066	1.6
125.02323	1.6
127.03876	1.5
129.06979	0.7
131.08582	1.2
133.06474	100.0
133.10031	1.2
134.06827	1.7
135.04366	0.7
135.08080	2.8
137.05945	2.3
143.03365	1.9
143.08620	1.1
145.06519	0.8
145.10100	0.9
147.08032	3.6
147.09029	0.5
147.11667	1.5
149.09612	0.9
151.07516	1.6
153.01813	35.6
153.02902	1.9
156.09311	0.8
159.07993	1.4
161.09639	1.1
161.13266	1.2
163.11153	7.6
171.02878	2.3
171.11682	0.6
173.13251	1.7
175.07355	0.7
189.12721	24.9
191.14282	14.7
207.13779	18.5
297.05988	2.4
315.07095	3.0
351.17798	0.8
509.58966	0.7
513.54193	0.6
521.16785	0.5
521.25037	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36536	0.4
55.01868	6.9
55.05498	0.6
56.96545	1.0
57.03432	10.3
61.02901	1.5
62.84948	0.5
65.03925	1.1
67.05480	1.6
69.03416	2.3
69.07059	0.8
70.65386	0.5
71.01340	0.5
73.02911	18.8
77.03911	0.9
78.04688	1.2
79.05490	2.7
81.03407	0.9
81.07038	2.3
82.30367	0.4
85.02906	2.6
85.03333	0.4
89.03901	1.3
91.05473	4.6
92.33823	0.4
93.03391	0.5
93.07014	2.5
94.04167	1.1
95.04971	3.3
95.08587	1.2
95.57172	0.5
97.02897	0.9
97.06514	1.1
98.97561	3.2
103.05450	8.0
105.03380	0.5
105.07037	2.8
106.04185	0.6
107.04949	6.3
107.08627	1.2
109.02894	0.5
109.06499	1.0
109.10168	0.9
110.03652	0.8
110.97572	0.8
111.04435	0.8
115.03909	0.9
115.05452	1.3
116.06165	0.5
116.98613	1.3
117.03345	0.7
117.07014	1.2
119.04900	0.6
119.08578	1.1
121.06486	5.3
121.10108	2.0
122.03621	2.8
122.10465	0.5
123.04436	4.7
123.11746	0.5
124.05171	1.2
124.99113	0.5
125.05959	0.9
127.70183	0.4
128.06180	3.9
128.98630	0.7
129.05510	0.8
129.06989	14.9
131.04913	11.1
131.08571	2.5
133.06476	1.4
133.10110	0.9
134.03653	0.8
135.04396	1.1
137.05960	36.0
138.03143	0.5
138.06335	0.6
138.17578	0.5
140.04713	1.0
143.08528	0.4
144.05733	0.8
145.06468	1.9
146.03519	0.6
146.07278	0.5
147.04407	1.5
149.05962	13.9
150.06409	0.5
151.03902	0.7
151.07547	3.0
152.04649	1.0
153.05446	1.3
155.05956	0.5
155.07021	1.1
157.06473	12.9
158.07190	0.9
158.99603	0.8
159.04361	2.8
159.08012	2.4
160.05165	1.1
161.05975	6.0
162.06683	0.7
162.13588	0.5
163.03899	1.3
163.07521	8.1
165.05476	1.0
167.07021	62.8
168.07372	1.7
170.99672	1.0
171.06462	1.2
171.07944	0.6
173.05968	1.2
174.06761	5.4
175.07527	4.2
177.05455	27.8
181.04944	19.8
181.08545	1.6
183.06456	0.9
185.05962	2.9
187.07533	2.2
189.09081	14.9
190.07712	0.5
191.07019	1.0
191.10649	1.6
193.08580	0.9
199.07588	0.8
201.05540	0.5
201.09132	0.9
203.06941	0.6
205.08611	1.5
209.08067	8.4
215.08641	1.2
217.08585	9.3
218.07277	1.7
219.01785	1.3
219.08107	1.0
219.10126	2.5
221.08075	1.4
233.09753	2.4
234.06520	0.5
235.07547	0.9
235.09641	0.8
237.02850	1.7
246.06676	1.0
246.36215	0.6
247.07428	1.5
248.08330	0.5
249.09015	0.6
250.09758	0.8
260.08286	0.7
261.09100	3.8
262.09680	0.8
263.07025	1.4
263.10541	0.5
264.07761	0.7
265.08389	0.6
275.06918	0.5
277.08609	2.3
278.09348	1.5
279.09955	0.7
289.08511	1.3
291.06757	0.5
291.10028	1.0
293.11707	3.5
294.08398	0.5
295.09583	0.7
303.09854	0.6
306.08792	1.1
307.09549	2.8
309.11301	0.5
311.12726	0.7
321.11130	5.4
322.11923	1.7
323.12576	0.6
338.11301	0.6
339.12311	2.2
347.13654	1.6
353.13754	1.5
355.15244	0.6
359.14886	1.8
371.14856	100.0
372.15341	3.7
373.16333	0.7
389.15866	1.8
436.27762	0.5
445.49194	0.5
461.16852	6.4
462.17557	0.5
491.19226	1.8
521.20050	6.7
521.32355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2174
Annotation	Saucerneol F
Peak:m/z	Relative Intensity
51.16016	0.3
51.30856	0.3
52.79668	0.2
53.50606	0.3
54.23019	0.2
55.01854	0.3
56.18362	0.2
65.03921	0.7
66.04703	0.5
67.05477	0.4
69.35120	1.4
79.05464	0.9
81.07047	0.7
91.05478	2.1
94.04173	3.3
95.04946	0.6
98.22752	0.6
98.23415	0.7
100.11228	0.4
103.05460	1.0
105.06990	0.4
107.04935	0.8
109.06509	0.8
115.05407	0.6
117.06999	0.4
119.04919	1.2
122.03638	6.8
129.06992	0.6
131.04941	1.5
133.06433	0.4
135.04376	0.4
136.05234	0.4
137.05962	100.0
138.06320	1.6
141.07031	0.4
145.06453	0.5
147.04398	0.6
149.05984	0.6
151.03918	1.3
151.07539	4.7
153.05478	0.4
157.06445	0.5
158.07243	0.5
159.08081	0.4
160.05203	0.6
161.06009	1.4
162.06638	0.4
163.07532	1.6
165.06964	0.4
165.09206	0.3
167.07112	0.5
175.07521	3.7
177.05515	0.4
179.06996	3.8
181.06505	0.4
187.07529	0.7
189.07011	0.3
189.09076	0.8
191.07133	0.3
194.07195	0.4
195.07887	0.5
199.07512	0.5
200.70737	0.3
201.09026	1.5
207.10158	0.4
211.07570	0.7
212.04643	0.5
213.09242	0.5
219.10120	0.6
221.05930	0.6
222.06575	0.4
223.07468	0.3
225.09106	1.0
227.07184	0.3
231.08060	0.5
233.09569	0.3
235.07553	0.4
237.09023	0.6
240.07820	0.8
253.04926	0.5
255.10083	0.4
259.07361	0.6
259.09796	0.9
260.08228	0.3
263.06995	0.5
264.07831	0.4
265.08572	1.0
267.10168	0.3
268.07196	2.8
269.09766	0.6
271.07480	0.8
272.08234	0.3
273.08960	0.6
274.09775	0.4
275.10742	0.5
277.08710	0.6
279.10086	0.4
280.07404	0.3
283.09665	4.6
284.10349	0.3
285.08762	0.7
285.11441	0.8
286.09906	0.7
287.06702	0.3
289.08432	0.7
289.11893	0.3
291.10046	0.8
292.07416	0.4
297.11456	2.2
299.06796	0.3
301.08600	0.9
301.12100	0.6
302.09424	0.6
303.10196	0.9
305.07971	0.3
305.11719	0.5
307.09537	0.8
309.11172	0.6
311.12839	0.6
314.09415	0.9
315.09818	0.4
316.10898	0.5
317.11679	1.3
319.09586	0.3
319.13440	0.4
321.11298	0.5
323.12820	0.6
329.11752	1.2
331.09628	0.3
333.11142	1.5
334.11813	0.5
335.12866	0.9
341.13733	0.5
346.12076	0.7
347.12717	1.9
348.13510	0.5
349.14340	0.8
351.12198	0.9
351.16104	0.4
353.13806	0.8
361.14340	2.0
365.13773	1.1
367.15408	1.2
379.15298	4.0
397.16379	1.1
399.12210	0.4
431.14774	0.7
453.16895	0.5
465.17569	0.4
471.17868	0.8
473.19751	0.5
485.19659	3.3
491.20502	0.4
503.20584	8.5
504.21301	0.5
521.22644	21.5
522.22833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87833	0.3
65.03931	0.5
66.04701	0.7
67.05491	0.4
69.35247	1.5
79.05474	1.0
81.07024	0.4
91.05474	2.3
94.04174	3.4
95.04962	0.7
95.65141	0.3
103.05460	1.1
105.07012	0.3
107.04904	0.8
115.05419	0.6
119.04911	1.1
121.06508	0.4
122.03628	7.0
123.41373	0.3
127.46958	0.3
128.06157	0.3
129.06949	0.7
131.04893	1.4
131.08551	0.6
135.04430	0.5
137.05956	100.0
138.06233	1.7
141.06975	0.5
143.08540	0.5
145.06366	0.5
147.04352	0.4
149.05977	0.3
151.03893	1.5
151.07512	4.9
153.05418	0.5
153.06894	0.4
158.07277	0.6
159.07979	0.4
160.05142	0.8
161.05965	1.5
163.07515	1.5
165.07014	0.4
167.07034	1.2
169.06526	0.4
175.07536	4.1
177.05426	0.4
179.07019	4.7
179.08472	0.7
181.06422	0.4
183.07948	0.3
187.07521	0.6
189.09061	0.7
191.06947	0.4
193.06573	0.4
195.07957	0.5
201.09102	1.1
205.06535	0.4
207.10112	0.4
211.07538	0.6
213.09106	0.8
219.08183	0.4
219.10139	0.8
223.07478	0.4
225.05547	0.3
225.09117	1.1
226.07710	0.3
227.10526	0.4
229.04926	0.3
231.07962	0.7
233.12065	0.4
235.07561	0.4
237.09010	0.4
240.07837	0.9
243.08063	0.5
245.01131	0.3
249.09015	0.4
253.04872	0.4
253.08650	0.5
256.07520	0.3
257.09671	0.5
259.09702	0.9
261.09015	0.6
262.06107	0.4
263.10681	0.4
265.08594	1.3
268.07211	2.5
269.09714	0.4
271.07376	0.8
273.08911	0.6
274.09946	0.5
275.10654	0.6
277.08560	0.7
283.09637	4.3
284.10330	0.5
285.08597	0.4
285.11282	1.0
286.10001	0.6
287.10519	0.5
289.08737	0.4
289.12326	0.4
290.09399	0.4
291.10147	0.9
293.08255	0.5
293.11978	0.5
295.09720	0.3
297.11246	1.3
299.06827	0.4
301.08566	0.9
301.12122	0.7
302.09406	0.5
303.10175	1.4
305.11578	0.4
309.11237	1.1
311.12918	0.4
314.09366	1.0
315.09787	0.6
317.08475	0.4
317.11737	1.4
319.09583	0.5
321.11349	0.9
323.12683	0.8
329.11667	2.3
330.12357	0.5
331.09598	0.5
332.10513	0.3
333.11368	1.7
335.12753	1.1
337.14392	0.4
346.11960	0.7
347.12778	1.9
348.13510	0.6
349.14209	0.8
351.12274	0.8
351.16006	0.4
353.04538	0.4
353.13461	0.4
361.14355	1.4
365.13815	0.8
367.15295	1.3
379.15399	4.1
397.16412	0.7
406.83911	0.3
421.14609	0.4
431.14856	0.6
471.18127	0.8
473.18900	0.6
485.19415	2.3
491.19995	0.5
503.20535	7.6
504.20749	0.5
521.22827	19.8
522.22797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98822	0.5
55.05479	0.5
56.17326	0.5
57.07051	0.5
61.99467	0.4
64.25134	0.5
65.81060	0.5
67.05503	2.8
69.07029	1.0
70.04480	1.6
79.05443	1.3
81.03397	0.9
81.07017	2.1
83.08575	0.8
91.05461	1.6
93.07016	0.9
95.08576	1.0
98.23482	0.9
105.06994	1.4
108.02334	0.5
109.10111	1.9
119.08469	0.6
121.10162	0.6
133.10106	1.0
229.14375	0.6
234.96548	0.6
275.20071	1.1
287.24719	0.6
359.21884	100.0
360.22263	4.8
521.27142	55.2
522.27527	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.5
58.23393	0.4
60.68549	0.4
60.81293	0.5
67.05457	1.7
69.07011	0.6
69.25009	2.3
76.63844	0.5
79.05460	0.8
81.06994	0.9
93.07005	0.9
95.04946	0.7
95.08537	0.6
98.22659	1.0
105.07054	0.5
107.08519	0.7
109.10128	0.6
111.30066	0.5
119.08543	0.6
121.10152	0.7
133.10034	0.6
212.81348	0.4
275.20139	0.9
279.57330	0.5
359.21887	100.0
360.22272	4.6
452.91104	0.6
521.27173	64.7
522.27368	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	521.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62661	0.3
69.54904	1.3
93.07019	0.3
98.22806	0.8
104.72501	0.3
107.08530	0.3
137.06020	0.9
150.45497	0.4
151.07513	0.4
167.07047	0.6
193.04839	0.5
241.37567	0.6
336.43872	0.4
367.13611	2.2
369.15137	1.8
521.27173	100.0
522.27435	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	521.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07235	2.3
55.05510	10.5
57.03432	4.7
65.03955	2.5
67.05495	20.3
69.03429	12.6
69.07069	11.6
69.38974	11.9
79.05489	26.0
81.03424	11.0
81.07053	19.0
83.04979	8.1
83.08614	4.1
83.53329	2.2
85.02920	4.5
85.06542	3.0
91.05460	18.6
93.07043	71.3
95.04958	9.3
95.08615	30.4
97.02898	4.1
97.38644	2.4
98.23438	4.9
99.04437	2.0
101.35155	2.0
103.05444	2.6
105.04510	2.9
105.07030	24.2
106.07803	2.7
107.08578	30.1
108.08966	1.9
109.02884	4.4
109.06509	10.2
109.10152	80.8
111.08032	2.7
119.08580	40.3
121.06545	4.0
121.10138	100.0
122.10471	2.6
123.08045	13.4
123.11705	8.3
127.03909	3.8
131.08600	11.2
133.07639	2.5
133.10146	16.9
135.11684	79.6
136.12051	4.5
137.09639	11.6
139.11137	4.0
147.65852	2.3
149.09613	80.9
149.13206	5.3
151.11157	5.8
151.14807	9.8
165.16451	2.4
167.10678	6.2
175.14812	39.4
179.22554	1.9
182.50288	2.3
193.15857	53.9
193.17532	3.7
194.16357	2.6
211.16913	39.9
293.13803	9.8
311.14890	11.0
316.78992	2.5
359.21658	3.1
414.43021	3.0
521.26990	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42525	0.8
53.03940	2.9
55.01857	5.9
55.05503	32.2
55.59933	1.0
57.03432	4.2
57.07071	35.0
58.15770	1.1
59.04994	1.3
65.03935	1.6
65.55164	0.8
67.05499	29.8
67.86855	0.9
69.07061	23.0
71.04987	3.8
71.08624	25.0
71.42207	1.1
76.41695	1.0
79.05486	22.4
81.03411	14.8
81.07048	34.4
83.01347	4.1
83.04971	9.6
83.08613	28.5
85.02902	5.8
85.10174	13.8
91.05469	23.2
93.07036	24.8
94.47211	0.9
95.04961	12.2
95.08594	33.4
97.02880	1.7
97.06512	4.2
97.10155	14.7
99.04465	1.7
103.05475	1.7
105.07021	12.9
107.04963	6.6
107.08588	11.6
109.06512	5.4
109.10145	13.6
111.04420	2.2
111.08076	3.5
111.11725	5.2
113.06011	1.2
117.07027	6.0
119.08572	11.2
121.06482	2.5
121.10132	11.4
123.08087	4.8
123.11708	5.9
125.09653	2.3
125.13274	2.3
129.07004	3.2
130.07764	1.4
131.08549	4.9
133.06400	1.0
133.10133	4.3
135.11687	14.4
137.13252	2.3
142.07800	1.4
145.10097	11.7
147.08038	1.7
147.11745	3.8
149.09578	2.6
151.11098	1.7
153.12715	2.6
157.10139	4.1
163.11157	25.8
164.11766	1.0
173.09593	2.1
175.11249	3.9
181.12169	5.7
191.10692	1.7
193.12224	11.8
207.32158	1.2
209.11674	7.7
211.13272	12.7
211.15091	1.1
219.21091	1.0
227.12769	20.5
237.22089	5.3
239.23640	7.5
267.15994	3.7
311.25809	1.6
313.27597	1.3
426.95166	1.2
503.36987	1.2
521.38306	100.0
522.38666	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
54.58984	1.3
55.01867	5.7
55.05258	2.5
55.05506	36.1
57.03430	5.3
57.07071	17.5
59.04942	1.3
67.05499	20.8
69.03429	2.2
69.07061	38.1
69.48431	6.2
69.86767	1.4
71.04980	3.2
71.08621	11.3
79.05481	19.6
79.20021	1.4
81.03410	31.1
81.07048	21.3
81.91226	1.2
83.04987	7.9
83.08611	41.2
85.02896	15.6
85.10172	4.3
91.05470	20.2
92.96070	1.4
93.07035	13.0
95.04962	16.2
95.08601	12.9
97.02902	1.5
97.06499	3.2
97.10156	23.5
105.07020	14.5
106.00604	1.4
107.04958	4.3
107.08600	5.3
109.06536	3.4
109.10159	4.8
111.04443	3.2
111.08060	8.4
111.11702	8.4
117.07021	2.7
119.08595	10.5
121.06474	1.7
121.10132	8.8
123.08077	2.6
123.11723	3.5
129.06978	7.1
131.08528	7.2
133.06479	2.3
133.10120	6.3
135.11674	6.8
142.07838	2.1
145.10078	3.6
147.08086	1.9
147.11642	8.3
147.13560	1.3
149.09639	4.6
149.13318	1.4
157.10077	8.5
163.11229	5.4
165.12756	2.0
175.11194	9.4
193.12215	36.2
193.13957	1.8
211.13264	44.2
219.21126	1.8
227.12827	4.8
237.22121	11.1
267.15881	7.8
311.25851	4.8
321.97882	1.7
332.63998	1.3
429.33231	1.8
503.36954	3.5
521.38367	100.0
522.38843	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03938	3.3
55.01853	2.7
55.05504	45.6
57.03187	1.4
57.03432	10.1
57.07072	11.0
59.04993	2.8
65.03940	4.0
67.05497	67.6
69.03421	3.4
69.07061	47.0
71.04987	6.8
71.08617	7.6
71.42424	1.1
77.03931	1.7
78.87199	1.1
79.05484	42.2
81.03408	53.2
81.06564	3.2
81.07047	67.4
83.04967	12.6
83.08611	40.0
85.02891	25.3
85.06540	3.9
85.10175	3.0
91.05468	37.0
93.07034	39.6
93.07607	2.5
95.04959	28.4
95.08597	44.9
95.28099	1.2
97.02866	3.2
97.06525	7.0
97.10162	19.1
99.08103	2.5
105.04492	2.2
105.07019	19.3
107.04955	5.6
107.08579	20.8
109.06509	5.1
109.10152	17.1
111.04436	2.3
111.08083	13.6
111.11716	5.0
113.06004	3.1
117.07020	3.7
119.08567	19.8
121.06512	1.9
121.10125	26.9
123.08069	2.4
123.11681	10.0
125.09638	2.3
129.07002	8.3
131.08508	8.3
133.06480	2.6
133.10121	9.1
135.11679	17.9
137.09656	3.0
137.13255	5.5
142.07797	2.9
145.10110	3.5
147.08112	3.1
147.11685	12.9
149.09636	5.8
149.13242	5.4
151.14818	2.1
153.12717	2.0
157.10118	10.0
163.11174	4.3
163.14787	1.5
165.12790	2.0
175.11174	13.8
177.16388	1.4
193.12227	50.5
193.13969	2.5
209.11774	3.3
211.13275	49.9
213.53073	1.2
215.20953	1.3
219.21153	3.2
227.12883	2.8
237.22052	8.1
267.15952	4.9
311.25909	4.9
429.33719	1.7
503.37161	2.8
521.38354	100.0
522.38928	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01555	0.7
53.03946	3.6
55.01859	2.3
55.05507	38.2
55.23689	0.8
57.03438	7.4
57.07073	7.1
65.03938	2.5
67.05499	45.9
69.03430	3.4
69.07062	34.6
69.92931	2.5
71.04982	4.7
71.08638	3.9
79.05489	31.9
79.05951	1.8
81.03412	40.8
81.07051	48.1
83.04977	8.2
83.08614	34.3
85.02895	22.5
85.06537	2.3
91.05475	23.9
93.06448	1.4
93.07038	25.1
95.04961	21.1
95.08595	29.9
97.02883	1.7
97.06532	4.9
97.10159	15.7
99.08102	2.3
99.39203	0.8
102.22224	0.8
105.04517	2.6
105.07014	17.0
107.04943	4.3
107.08587	13.3
109.06501	3.3
109.10147	11.5
111.04430	2.2
111.08077	10.9
111.11703	4.8
113.06032	1.7
113.09612	1.1
116.12440	0.8
117.07041	1.7
119.08561	12.9
120.60468	0.8
121.06509	1.2
121.10132	21.5
121.10980	1.2
123.08097	1.7
123.11691	7.8
125.09677	0.9
129.06979	6.9
131.08554	6.9
132.09209	0.9
133.06512	1.7
133.10132	7.2
135.11674	13.8
137.09587	1.1
137.13210	4.7
139.11183	1.1
141.12642	0.9
142.07787	2.0
145.10103	1.2
147.08054	1.5
147.11670	10.2
149.09639	3.3
149.13269	4.3
153.12679	1.6
157.10112	8.8
163.11334	0.8
163.14835	1.8
165.12752	2.8
170.16901	0.8
175.11177	10.9
189.11209	0.8
193.12225	51.1
194.12602	1.2
209.11707	1.8
211.13275	62.0
219.21094	3.0
237.22131	8.4
267.15875	5.6
285.16910	1.0
298.07693	0.8
311.25760	4.4
337.26303	0.9
429.33667	2.1
445.36804	0.9
503.37271	3.4
521.38361	100.0
522.38654	4.4
527.14417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2158
Annotation	Trp Met Trp
Peak:m/z	Relative Intensity
56.15477	0.8
71.43035	1.0
85.02918	2.1
97.02953	0.9
104.07141	2.0
135.04457	1.3
161.63937	0.8
163.03883	1.9
181.04999	2.5
241.53558	0.8
268.23895	0.8
310.20499	0.8
321.11700	1.0
341.02948	0.9
375.12521	6.0
383.35770	0.8
390.59891	0.8
392.15274	8.6
420.14862	1.2
448.14282	1.9
473.56491	0.9
478.18323	0.9
504.20206	1.8
522.21539	100.0
523.22021	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	522.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01867	2.5
57.03432	4.8
61.02918	1.2
63.75357	0.9
69.03425	7.1
70.06583	1.0
71.04979	1.6
71.42110	1.1
73.02899	1.3
74.09715	1.4
75.04472	3.4
79.05485	1.3
80.23558	0.8
81.03409	6.3
85.02902	15.5
86.09672	1.2
87.00821	7.3
88.05759	1.2
91.03954	0.9
91.05464	1.5
93.62876	0.8
95.04947	1.9
96.83948	0.9
97.02890	6.2
99.04436	2.7
103.05463	1.4
105.01852	4.1
105.07021	23.9
107.04936	2.1
109.02879	5.4
121.06513	1.1
122.03599	1.4
127.03920	8.4
133.06479	54.6
134.06882	1.0
137.05968	100.0
137.55739	0.8
138.06293	1.9
145.04962	3.5
147.08031	1.2
151.07431	1.1
153.01791	1.5
155.38614	0.9
159.02879	3.6
163.07562	4.7
165.07681	1.7
165.09105	33.3
167.06978	1.3
175.07538	5.0
177.09114	1.3
181.08578	2.9
183.10147	28.1
183.11679	1.9
186.48540	0.9
189.09113	1.4
203.10680	2.5
209.11642	1.3
221.11734	4.0
231.04913	1.2
239.12788	3.1
257.13812	73.1
258.14215	1.4
261.21124	1.0
267.27029	0.9
270.96872	1.1
281.13834	1.6
347.14938	2.5
356.33633	0.9
522.20349	1.9
523.19226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01858	2.4
56.75053	0.8
57.03432	7.9
61.02918	1.7
63.24400	0.9
67.19994	1.0
69.03418	8.9
71.04954	1.0
73.02919	1.9
75.04468	3.2
79.05484	2.3
80.02507	1.0
81.03408	6.9
85.02901	16.6
87.00819	8.0
94.71064	1.1
97.02883	6.4
99.04449	3.1
103.05466	1.6
103.12688	0.9
105.01859	5.7
105.04475	1.0
105.07018	22.1
106.05225	1.2
107.04922	1.5
109.02859	6.2
123.04411	1.5
127.03907	10.4
133.06480	54.8
137.05963	100.0
138.06323	1.0
145.04947	2.8
147.02771	0.9
151.07494	1.4
154.02132	0.9
159.02863	2.6
163.07477	4.9
165.09102	40.1
167.07004	1.7
175.07501	5.1
177.09064	1.8
181.08531	3.2
183.10150	30.2
203.10675	2.6
206.13632	1.0
207.10197	1.3
209.11595	1.5
213.10333	1.0
221.11710	4.6
231.05034	1.5
239.12720	3.0
257.13806	94.4
258.14200	2.2
268.12140	1.2
313.11469	1.4
323.10452	1.1
347.14859	1.5
373.13992	1.6
467.37589	1.1
473.15305	2.0
491.17084	1.3
505.18317	2.4
522.19733	2.2
523.19336	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
63.18928	1.3
79.05492	4.2
91.05474	1.5
98.22979	1.7
103.05481	5.1
104.06257	1.7
105.07024	38.2
115.05460	5.8
118.04147	2.1
132.05721	1.6
133.06485	37.5
143.06067	4.0
161.05969	32.6
167.07074	1.3
172.64835	1.2
178.06241	1.6
193.08586	100.0
194.08842	1.3
238.23785	1.3
253.10735	13.6
288.24277	1.6
380.06537	1.3
386.73221	1.3
424.15268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	3.4
69.07053	0.9
75.04507	1.0
79.05492	1.8
80.06284	0.8
81.07051	1.8
90.04678	1.0
91.05467	5.5
93.07028	1.8
95.04963	2.4
95.66993	0.7
105.06989	1.8
107.04936	6.1
107.08568	0.9
108.05699	2.5
109.06501	1.5
109.10142	0.8
115.05409	0.9
119.04978	0.9
119.08564	0.8
120.05692	0.8
121.06508	2.2
122.86169	0.8
123.08057	1.4
133.06480	1.1
133.95543	0.8
135.04411	3.1
135.08025	1.2
136.05171	7.1
137.06009	3.6
138.06729	2.1
140.91199	0.8
145.06438	2.2
146.07272	0.9
147.08015	1.6
148.05193	5.7
149.05930	1.3
149.09543	0.9
150.06790	1.6
151.07526	100.0
152.07860	1.2
157.06451	1.1
158.07327	1.2
159.08026	2.3
160.08862	1.2
161.05972	1.6
161.13248	0.9
163.07542	2.7
164.08351	1.1
165.09134	9.1
166.06219	13.1
167.06978	2.6
171.08046	2.3
172.08800	1.7
173.05981	3.1
174.06746	1.3
175.07521	1.2
176.08322	1.7
176.86276	0.8
177.09062	8.6
179.10696	1.8
180.07732	1.7
181.08578	69.7
182.09193	1.1
184.69994	0.9
186.10420	1.6
187.07524	3.2
188.08310	4.6
189.09100	5.9
190.09834	1.7
191.07071	1.1
191.10681	3.5
193.08617	2.3
195.10118	2.7
200.03221	0.8
201.09146	4.4
202.09865	5.5
203.07042	0.8
203.10666	11.3
205.08578	1.3
207.10138	2.4
215.10611	1.2
216.11412	4.1
217.12193	9.0
219.10179	1.7
221.11731	1.2
233.11670	4.1
247.13278	9.7
321.14948	1.0
339.15750	1.4
353.17352	2.4
354.18335	4.8
355.19147	0.9
360.08292	0.8
370.17709	18.4
371.18143	1.3
385.20044	52.0
386.20300	2.7
403.21051	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	522.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.1
60.08159	4.5
67.05501	23.0
69.07047	7.4
69.59513	3.2
79.05495	28.9
81.03434	6.3
81.07050	25.2
83.04966	6.5
83.08598	4.1
86.09699	25.7
86.31939	3.6
91.05472	25.4
93.07040	28.1
95.04955	13.9
95.08615	7.8
98.98483	4.6
99.05857	3.6
105.07020	15.7
107.08562	8.2
109.10119	7.0
117.07014	5.3
119.08597	9.7
124.99986	24.0
129.06981	6.6
133.10164	5.6
147.11676	17.5
161.13278	4.6
171.11716	12.5
183.30475	3.9
184.07338	100.0
207.13765	18.9
233.61716	3.4
236.65712	4.0
281.17380	20.0
313.31000	3.8
425.24170	4.3
482.20587	4.5
487.30566	41.8
522.37299	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	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49749	0.2
55.05503	0.6
56.05022	0.5
57.07060	0.3
58.06598	0.3
60.08159	6.8
64.76305	0.1
67.05492	0.8
69.07059	0.7
71.07366	3.2
71.08583	0.2
76.10109	0.1
79.05481	0.6
81.03409	0.4
81.07032	0.7
83.08613	0.5
85.02890	0.2
85.06550	0.1
86.09697	30.7
87.10031	0.3
91.05450	0.2
93.07031	0.5
95.04956	0.4
95.08594	0.3
97.06512	0.2
97.10148	0.4
98.98455	3.8
104.10731	3.1
105.07021	0.3
107.08585	0.4
109.10128	0.3
121.10131	0.3
124.99992	20.5
128.25261	0.2
142.76289	0.1
143.01050	0.3
147.11681	0.2
168.81726	0.1
183.34448	0.2
184.07321	100.0
185.07697	1.0
193.12190	0.2
209.92059	0.1
258.10959	0.2
339.28946	0.3
504.34357	1.0
522.35175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
56.05019	1.2
57.03425	0.4
57.07056	0.6
58.06593	1.2
60.08155	16.2
61.96135	0.4
67.05484	1.1
68.46024	0.3
69.07059	2.2
69.73885	1.4
70.06604	0.3
71.07368	6.0
79.05471	0.5
81.07037	1.7
83.08614	1.1
86.09693	52.1
87.10011	0.5
89.45096	0.3
93.07042	1.0
95.08585	1.3
97.10128	0.6
98.22652	0.6
98.23275	1.0
98.98444	4.1
101.90806	0.3
103.30068	0.4
104.10727	98.4
105.11023	0.9
109.10114	0.5
124.99986	29.4
143.00990	0.4
157.69455	0.3
161.67558	0.4
163.01549	0.6
167.80769	0.4
181.02612	0.5
184.07314	100.0
185.07669	0.8
231.37485	0.3
258.10974	1.1
311.46298	0.3
339.28952	1.6
445.27267	0.4
504.34427	8.3
504.41641	0.5
505.34369	0.6
522.35474	24.5
523.35754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59894	1.5
70.93259	1.9
94.93007	100.0
97.51474	1.8
107.36536	1.5
110.59892	1.9
112.93173	2.1
130.22533	1.4
136.94011	33.9
137.14055	1.5
154.94173	32.9
166.94179	3.4
172.95268	3.9
180.92981	56.6
184.95189	2.1
196.95255	21.7
198.93155	3.8
208.95264	3.1
214.96233	4.4
216.94208	3.0
226.96208	4.5
238.96182	2.2
240.94206	41.3
252.94281	3.2
256.97388	11.8
258.95264	11.8
259.87585	1.9
270.95242	8.3
291.62143	1.9
298.98398	4.1
300.96228	14.1
329.57712	1.7
330.97162	1.7
342.97406	3.2
364.23898	1.8
364.92023	1.5
381.07968	9.2
475.08139	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2169
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
52.14717	1.6
59.10505	1.7
62.53424	1.6
63.17954	1.5
67.05488	3.5
69.03416	6.1
70.55567	3.4
77.03873	1.6
79.05487	8.4
81.03411	4.3
81.07048	5.6
85.02890	1.8
87.40871	1.5
91.05446	5.2
93.07027	4.2
95.04948	1.7
96.12177	1.6
97.02894	4.1
97.06466	1.7
105.06999	5.3
107.04955	4.0
107.08573	18.0
109.02864	3.6
109.06525	2.3
109.10139	4.3
119.08621	2.3
121.06485	2.1
121.10123	8.8
122.07289	5.7
125.02308	4.5
127.03935	9.1
133.10109	100.0
133.46843	1.9
135.08046	6.5
137.09595	53.5
143.03439	3.5
149.13217	9.5
153.01807	98.0
163.14818	2.6
171.02846	14.7
173.13263	5.3
181.05269	1.6
191.14281	50.7
191.15945	3.5
209.15363	2.4
255.78445	1.6
297.05908	8.0
315.07153	11.6
542.80280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2172
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.62292	2.4
55.01862	3.5
57.03420	2.9
65.05212	2.3
66.86908	2.0
69.03429	13.1
71.43108	1.9
79.05479	5.1
81.03403	13.8
85.02898	17.6
85.89647	2.3
87.84747	2.1
91.05475	11.1
95.04942	6.4
97.02894	4.9
99.04469	2.6
103.03891	3.0
103.05425	5.2
105.07043	5.8
109.02818	4.0
111.04426	2.9
115.05422	2.2
117.07034	4.0
119.04934	10.7
121.06477	3.1
122.03635	6.8
127.03886	9.3
128.06166	2.4
129.05435	2.6
129.06970	3.7
131.04901	15.5
133.06450	6.9
135.04330	2.6
135.08072	3.5
137.05960	100.0
141.06920	3.4
145.06441	4.9
147.04391	22.2
149.05959	9.6
151.07512	45.0
153.01817	5.5
154.04990	7.5
156.65022	2.3
157.06491	6.5
159.08057	2.3
160.05254	5.9
161.05971	12.1
162.06764	2.8
163.07539	23.6
167.06982	6.8
169.06458	2.9
174.06717	4.3
175.07535	20.3
176.04814	2.3
177.05431	10.0
177.09045	8.5
178.06143	2.4
179.07010	32.5
179.10626	2.9
187.07477	6.2
189.09035	16.2
191.07007	9.6
193.08635	4.9
195.08008	3.3
199.07487	3.9
201.09026	3.9
203.07042	6.7
205.08502	4.0
207.10149	15.9
209.02425	2.4
217.08492	5.2
219.10103	6.6
225.11136	2.6
229.08481	3.8
231.10141	5.3
239.11685	4.6
245.08037	2.5
247.09557	4.8
249.11110	3.6
253.09712	3.4
255.11067	4.0
259.09543	2.7
261.11206	3.4
263.09097	2.6
267.11224	7.8
273.11130	8.2
275.12656	4.7
277.13190	2.4
285.12219	2.5
291.12271	12.6
295.10464	4.3
297.11853	3.2
313.11655	19.3
323.10434	2.9
325.14563	4.0
341.11295	5.1
343.15369	8.7
373.13809	22.0
425.13449	4.8
445.15900	6.4
455.14429	4.0
463.17081	5.7
473.15500	12.3
491.16431	13.4
505.18011	14.5
523.18707	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	523.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
57.03421	1.8
59.67918	1.6
60.58425	1.7
61.59074	1.5
62.44511	1.7
62.68595	1.7
69.03441	11.0
69.30910	7.9
69.31280	3.6
79.05489	5.2
81.03408	16.1
85.02903	15.9
89.35676	2.1
91.05469	9.6
93.03381	1.9
94.04200	3.1
95.04967	6.8
97.02885	5.5
99.04453	2.5
103.03982	3.2
103.05431	9.2
104.67690	2.3
105.07024	5.4
107.04954	6.9
108.69849	1.7
109.02859	4.5
109.60870	2.0
115.05446	4.0
117.07018	4.5
118.02192	2.0
119.04940	10.8
121.06454	4.8
122.03659	6.5
127.03880	6.2
128.06252	3.3
129.05420	2.9
129.06996	5.6
131.04935	19.4
133.06480	6.4
135.04433	4.4
137.05962	100.0
138.41898	2.0
141.06924	3.5
143.03441	2.1
143.04848	3.3
145.06468	5.6
147.04398	23.1
147.07932	3.1
149.05991	7.3
151.07520	44.1
153.01819	4.0
153.07005	2.3
154.04970	2.9
157.06499	4.1
159.07976	3.1
160.05151	2.9
161.05978	13.6
163.07524	21.7
165.09111	5.8
167.07077	5.4
169.06479	3.9
171.08012	3.1
173.05974	2.5
174.06766	3.9
175.07538	16.6
177.05424	9.5
177.09113	7.0
178.06169	2.4
179.07031	22.1
179.10539	2.8
181.08502	2.3
187.07562	5.4
189.05457	2.6
189.09094	14.5
191.06984	12.3
193.08708	2.6
195.10257	2.7
197.05916	2.4
201.09138	8.0
203.07037	5.4
203.10712	3.7
205.08649	2.4
207.10097	10.2
211.08710	3.9
215.06934	2.8
217.08658	3.0
219.10165	3.2
221.08163	2.4
225.10561	3.3
229.08623	5.8
231.10045	4.8
239.11804	5.2
240.12598	2.2
241.09882	2.6
245.08125	3.4
249.11182	5.4
254.10574	2.4
255.11012	3.8
257.08191	2.5
257.12720	2.9
267.11328	5.9
268.12103	3.3
269.12720	2.6
273.11124	11.4
275.12619	2.9
283.10559	2.7
291.12198	13.7
295.10696	2.6
297.11920	3.9
313.11725	27.4
314.12292	2.4
327.13422	2.5
341.11371	3.7
342.11771	2.0
343.15335	5.6
355.12936	2.5
373.14014	16.4
413.13470	3.4
445.15811	6.5
463.17044	3.3
473.15710	9.5
491.16867	13.6
505.17966	10.2
523.18781	29.3
524.19080	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2175
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
55.05496	2.6
57.63139	2.0
58.68627	1.8
67.05512	5.5
69.03425	12.4
69.07057	6.0
69.24914	2.1
71.43339	2.2
73.23094	2.1
79.01835	3.1
79.05501	8.2
81.03423	7.8
81.07060	8.3
83.05003	5.1
85.02896	4.4
91.05495	8.1
93.07032	4.6
95.04990	3.7
95.08630	6.5
97.02909	4.9
97.06531	4.5
102.88086	2.0
105.07034	9.0
107.04971	3.5
107.08585	19.9
109.02893	6.0
109.06529	5.8
109.10171	6.4
117.07008	3.2
119.08570	4.2
121.06490	4.7
121.10127	14.0
122.07265	3.3
123.11749	2.9
125.02341	3.7
127.03924	7.6
130.70129	2.7
131.08563	4.2
133.10123	67.4
135.08060	11.3
137.05960	4.6
137.09595	28.6
143.03401	8.4
145.10141	2.8
147.11647	4.1
149.13269	7.3
151.07504	2.3
151.11237	2.2
153.01819	100.0
153.03032	6.0
163.11075	2.3
163.14813	3.8
166.08624	2.9
167.06902	2.7
171.02867	10.2
171.13763	2.7
173.13324	6.7
177.09108	5.2
191.14302	68.1
209.15326	3.9
219.10269	2.3
297.05994	5.9
315.07153	9.4
353.19418	2.3
369.49060	2.1
385.88174	2.2
523.20172	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72755	18.1
57.07067	46.7
67.05491	25.2
69.07048	21.2
69.26131	90.3
71.08623	24.4
79.05486	31.9
80.94750	19.6
81.03394	100.0
81.07051	40.3
95.04994	25.0
95.08588	23.4
104.59644	18.5
112.34619	23.3
193.12297	37.1
210.40027	16.5
211.13332	34.9
216.90276	17.3
267.15787	37.3
312.28659	16.9
313.27356	64.6
352.27963	20.4
433.57761	19.7
505.39090	22.0
506.39432	19.8
523.39587	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01858	2.4
55.05510	14.3
57.03429	6.4
57.07071	37.5
65.03931	1.6
67.05499	28.4
69.03440	2.8
69.07060	11.0
69.64385	5.9
71.04990	3.7
71.08627	25.7
71.11610	1.3
72.95733	1.2
79.05485	16.3
81.03410	36.1
81.07056	33.2
83.04990	6.4
83.08611	27.8
85.02892	18.0
85.06563	1.5
85.10165	10.8
91.05475	21.2
93.07031	12.1
95.04954	18.4
95.08598	29.4
97.02902	2.7
97.06570	3.1
97.10166	9.6
105.07021	16.4
107.04951	2.1
107.08610	5.2
109.06529	2.7
109.10159	14.1
111.04446	2.3
111.08079	8.5
111.11739	2.7
113.06007	2.0
117.07030	2.0
119.08564	11.2
121.10151	5.4
123.11700	6.6
125.09682	1.8
129.07016	5.3
131.08589	4.9
133.10149	5.5
137.13277	1.5
142.07742	2.1
145.10133	1.6
147.11690	9.1
149.09599	3.9
157.10112	7.9
165.12804	2.7
175.11148	12.5
179.14458	1.8
193.12230	47.3
193.13968	2.9
210.97791	1.7
211.13271	53.5
239.23703	8.7
267.15924	7.0
313.27289	6.8
371.86172	2.0
402.86511	1.5
501.44379	1.7
505.39258	2.6
509.73483	1.5
523.39948	100.0
524.40179	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	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	16.1
55.05838	18.3
57.07066	53.7
64.92713	18.6
67.05503	42.4
69.07053	23.2
71.13188	34.1
79.05491	19.9
81.03407	40.8
81.07043	57.4
83.08611	36.5
85.02907	32.6
91.05492	19.9
95.04956	20.4
95.08600	31.4
107.84621	18.2
112.92752	18.2
142.19366	20.5
175.11108	23.7
193.12236	71.4
211.13290	72.1
523.39966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
53.23190	1.0
55.01857	1.4
55.05507	15.3
57.03435	6.7
57.07072	41.2
65.03930	1.0
65.47071	1.1
67.05498	29.3
67.24308	1.0
67.99126	1.0
69.03423	2.8
69.07066	12.1
71.04988	3.8
71.08626	29.4
72.59204	1.0
73.24471	1.1
79.05486	14.1
81.03412	40.3
81.07052	34.5
83.04971	7.0
83.08613	26.0
85.02900	19.6
85.06567	1.2
85.10174	19.7
85.42818	1.1
91.05474	17.8
91.12677	1.1
93.07039	11.8
95.04965	16.5
95.08595	30.8
96.87677	1.0
97.02883	2.7
97.06533	2.6
97.10140	8.5
98.22652	3.0
98.91087	1.1
99.11749	1.7
105.07009	15.2
107.04984	2.8
107.08584	4.7
109.06517	2.5
109.10146	14.3
111.04445	1.7
111.08085	7.6
111.11734	1.2
113.05994	1.8
119.08578	11.3
121.10128	6.2
123.11718	6.3
125.09612	1.1
129.06979	6.3
131.08589	5.4
133.06506	1.9
133.10150	6.9
137.13272	2.6
147.08014	2.4
147.11671	10.9
149.09624	4.4
157.10081	8.4
158.97726	1.1
158.99092	1.0
165.12825	2.1
175.11172	12.4
175.51372	1.1
193.12221	51.5
211.13278	56.8
220.17484	1.1
239.23672	8.3
267.15915	5.1
313.27283	5.9
505.39035	2.3
523.39917	100.0
524.40198	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01646	1.2
53.03938	2.8
55.01861	3.3
55.05507	18.6
57.03443	8.2
57.07074	50.5
62.59233	1.4
65.03957	2.4
67.05502	36.3
69.03429	3.4
69.07068	17.2
71.04993	6.0
71.08627	32.6
71.42331	1.6
79.05488	16.2
81.03411	42.5
81.07049	41.0
83.04974	8.6
83.08616	28.2
85.02898	23.0
85.06561	2.7
85.10179	18.5
91.05476	25.8
93.07031	12.9
95.04966	19.1
95.08600	36.1
95.09206	1.7
97.06541	3.8
97.10169	9.9
105.07024	18.7
107.04967	4.7
107.08604	5.3
109.06495	2.2
109.10156	15.9
111.08069	7.3
111.65135	1.3
119.08569	13.2
121.06470	1.8
121.10117	8.2
123.08043	2.0
123.11690	5.7
125.13320	1.3
129.07011	6.2
131.08597	6.7
133.06502	3.0
133.10115	7.8
137.09558	2.4
142.07739	1.9
147.08026	1.9
147.11690	8.8
149.09647	3.9
151.14864	1.8
157.10121	9.4
175.11205	9.7
184.64218	1.4
193.12218	50.5
193.13959	2.5
211.13280	52.0
239.23599	9.0
258.38882	1.5
267.15924	6.3
313.27371	4.9
505.38901	2.7
523.39911	100.0
524.40497	6.1
545.64374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77296	2.1
53.03935	7.1
55.01858	2.9
55.05512	27.5
57.03432	24.0
57.07072	69.7
60.77643	1.8
67.05498	46.1
69.03431	3.3
69.07056	16.4
69.78198	6.5
70.65278	2.1
71.04991	3.6
71.08626	42.6
77.25168	2.0
79.05489	28.4
81.03410	100.0
81.07049	54.9
83.04964	11.6
83.08612	34.0
85.02896	20.5
85.06537	2.3
85.10175	21.3
91.05469	29.8
93.07023	19.7
95.04960	35.0
95.08597	37.9
95.09193	2.5
97.02892	4.3
97.06528	4.4
97.10159	11.4
98.23424	2.0
105.07023	22.6
107.04955	8.0
107.08580	8.3
109.06530	5.5
109.10157	17.4
111.04442	2.5
111.08081	6.0
113.05980	3.6
115.05484	2.9
116.37128	1.7
119.08588	20.9
121.06471	2.8
121.10130	8.2
123.08090	2.3
123.11689	7.0
128.08582	2.0
129.06992	10.7
131.08574	13.0
133.06479	4.3
133.10124	8.3
137.09572	2.0
139.86197	1.7
142.07803	3.4
147.08018	4.8
147.11684	12.8
149.09633	6.6
152.98164	2.0
157.10127	11.4
164.29884	1.8
165.12811	2.8
175.11214	11.2
182.93294	2.0
184.92487	1.9
193.12227	39.4
194.28546	1.6
211.13292	23.2
234.27132	1.8
239.23653	3.5
249.14809	2.5
267.15842	26.6
313.27347	30.0
326.81598	1.9
505.38840	15.7
519.83246	2.6
523.39966	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	28.3
55.05747	5.3
57.03414	24.2
57.03660	5.5
57.07071	70.6
60.08163	14.1
63.73417	5.4
63.87527	5.7
67.05504	83.6
69.07055	34.3
71.07358	12.4
71.08632	49.7
79.05476	26.1
81.03410	97.3
81.07046	59.8
83.04961	7.7
83.08620	40.5
85.02884	7.4
85.10170	19.8
86.09683	47.3
88.70683	6.3
91.05473	40.9
93.07033	41.7
95.04963	33.7
95.08598	54.4
97.02855	5.5
97.10159	12.5
98.22660	9.7
99.08083	7.5
102.75549	5.6
104.10734	96.9
105.07011	24.5
107.04939	13.4
107.08575	20.1
109.10166	51.5
111.08058	6.1
117.07001	7.2
119.08534	15.2
121.10109	14.9
123.11665	5.5
124.99986	28.9
129.06972	14.3
131.08585	11.6
133.10110	11.6
135.11647	11.6
135.58688	5.9
145.11069	6.2
147.07991	8.0
147.11662	11.7
149.09639	5.8
157.10146	16.2
173.11780	7.4
175.11113	13.1
179.14311	19.3
184.07314	100.0
193.12224	70.1
193.42049	5.9
211.13263	26.4
217.04276	7.1
229.14259	27.6
239.23651	8.6
267.15884	71.9
277.21490	14.4
313.27298	78.3
505.38376	33.2
506.35172	8.5
509.44781	7.2
523.39746	74.2
524.36993	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46130	1.9
52.65226	1.9
65.74269	1.9
71.42889	2.3
73.02916	4.8
80.96994	2.0
91.05476	3.3
103.05459	9.3
121.10103	2.3
122.03623	4.2
129.06981	4.2
131.04903	20.5
133.10127	2.5
137.05965	37.5
137.09586	2.2
147.07974	2.4
151.07471	4.7
153.01837	6.6
157.06483	3.2
161.05965	9.4
163.07518	57.1
165.57216	1.9
175.07518	100.0
177.09077	33.0
189.09117	3.9
191.06982	7.2
192.14658	2.8
195.10251	2.2
202.34608	2.7
203.07057	3.2
205.08539	10.9
209.08134	4.6
217.08595	2.8
221.05934	3.8
221.11757	7.3
223.07521	3.0
225.09073	3.8
235.09596	58.6
253.08595	10.1
255.10330	2.2
267.10260	3.2
285.11157	19.4
287.12802	4.5
309.11472	2.9
325.10590	2.8
327.12247	17.8
331.15222	3.8
341.13770	9.8
345.13287	17.2
357.13162	4.9
418.16238	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05498	0.7
56.05022	1.8
57.03422	0.8
57.07068	2.8
58.06609	1.5
59.07367	0.4
60.08160	17.9
65.99737	0.4
67.05490	1.0
69.07076	0.7
69.73254	0.8
69.73608	0.8
71.07368	7.5
71.08624	1.6
78.30731	0.4
79.05479	0.4
81.03436	0.4
81.07050	1.0
83.08615	0.7
83.97792	0.4
85.10168	0.8
86.09700	50.9
87.10017	0.4
95.08595	1.4
97.10165	0.5
98.23474	0.8
98.98452	4.2
104.10735	99.3
105.11044	0.6
107.78222	0.4
109.10145	0.6
113.97803	0.4
124.99994	30.2
163.01529	0.9
174.51540	0.4
178.25739	0.4
182.05864	0.4
184.07329	100.0
185.07718	0.8
258.11066	1.5
341.30411	1.5
506.35986	9.0
507.36270	0.5
524.37030	25.7
525.37360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.3
57.03438	12.5
57.07072	6.7
57.24416	1.6
58.56986	1.3
58.96645	1.3
59.04990	3.0
59.36710	1.5
65.03947	2.7
67.05501	100.0
67.56159	1.7
69.07067	10.4
71.04997	3.6
71.08629	5.5
75.27477	1.9
79.05482	21.8
81.03426	5.8
81.07054	41.8
83.04939	1.8
83.08617	9.2
85.06551	3.6
85.10188	3.1
87.04466	1.7
91.05475	15.0
93.07039	22.6
95.04966	5.7
95.08598	27.7
97.10156	2.1
97.53983	1.6
98.23467	3.1
99.08112	2.0
105.07042	10.3
105.54810	1.5
107.08582	14.2
109.10149	56.2
110.10458	2.3
111.08068	2.3
117.07072	1.5
119.08573	11.5
121.10130	9.6
123.11749	2.4
131.08574	5.1
133.10156	4.5
135.11688	6.7
137.09641	3.9
137.13324	2.1
145.10078	3.3
147.11711	3.4
149.13229	3.9
151.11230	1.6
155.10640	3.3
173.11752	21.7
173.13211	2.8
193.12277	5.6
194.12683	3.1
211.13388	4.8
212.13643	2.8
218.67995	1.6
227.12810	1.7
229.14334	64.7
229.22025	1.8
230.14716	1.9
243.21083	5.1
261.22153	13.7
267.15793	1.8
268.16174	2.2
303.27115	1.5
313.27475	2.4
314.27902	3.4
317.24496	2.3
333.00751	2.1
335.25772	69.0
336.26077	2.7
489.35706	36.9
490.35934	3.0
506.38745	2.3
524.40363	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	525.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32141	0.2
69.03416	0.3
69.28020	1.2
83.08607	0.3
90.09811	0.3
91.05455	0.4
98.22858	0.9
100.11265	1.0
105.07056	0.3
107.04957	0.5
131.04932	0.4
135.07846	0.5
137.05984	1.1
137.09499	0.3
139.04492	0.2
153.01790	1.6
161.05942	0.5
163.07561	0.7
167.06990	0.4
177.09174	0.6
193.08618	0.5
241.10468	0.6
355.06442	0.7
363.07138	0.3
385.14783	0.4
491.08038	0.3
524.41632	0.8
525.19373	100.0
526.19690	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	525.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84048	0.2
69.18318	1.5
91.05523	0.2
100.11212	0.3
105.07030	0.3
105.26666	0.2
127.03649	0.3
135.07840	0.3
137.06004	0.6
137.09569	0.3
153.01860	1.2
163.07616	0.5
167.10794	0.2
170.57394	0.2
177.09093	0.5
193.08569	0.3
194.08957	0.4
195.09462	0.2
241.10445	0.7
291.01749	0.3
293.20544	0.3
355.06390	0.7
363.06934	0.2
369.15311	0.2
469.97693	0.3
525.19366	100.0
526.19708	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	525.2309
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05527	0.9
56.11641	0.9
60.77337	0.8
66.93256	0.8
67.05497	1.7
69.03405	1.0
69.07064	1.1
69.70502	2.5
71.04990	2.7
77.92327	1.0
79.05479	1.5
81.03410	1.3
81.07045	2.4
83.05024	0.8
91.05479	1.9
93.07035	4.1
97.02911	1.2
97.06548	1.0
102.06620	0.9
105.07046	2.0
107.08596	2.1
119.08619	2.9
121.10138	1.5
122.09657	3.1
127.00101	1.5
127.03908	1.8
131.08530	1.1
133.10149	1.3
135.11705	1.1
137.05997	2.0
141.05324	1.0
145.10118	1.2
153.01802	9.3
159.11754	1.1
165.09026	1.1
167.07019	2.3
171.02986	1.1
175.49475	0.8
185.04292	0.9
203.05296	1.0
227.05244	1.8
239.17834	0.8
243.04837	2.4
245.06287	1.9
259.16690	4.1
271.04309	2.0
277.17770	3.3
287.03671	6.4
289.05267	12.8
337.39819	0.9
361.81326	0.8
393.18951	1.3
421.22046	2.6
437.17786	11.1
439.23041	3.1
445.21960	2.8
463.22998	14.3
481.24023	25.5
482.24310	1.7
489.20862	19.5
490.21082	1.2
507.21991	55.0
508.22263	3.3
525.23083	100.0
526.23242	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	525.2302
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.49334	0.4
59.13227	0.5
62.98670	0.5
67.27155	0.5
70.47036	0.8
71.04975	1.5
78.59836	0.5
81.07069	0.6
93.07047	0.6
95.08617	1.3
97.02699	0.5
105.48431	0.5
107.08572	0.6
141.05237	0.5
169.04695	1.7
177.08922	0.9
185.04234	0.6
203.05292	1.4
227.05281	1.1
245.06340	6.3
259.16620	4.6
268.37314	0.5
277.17746	7.7
289.05243	4.9
305.17249	0.7
369.18872	2.1
411.19763	3.0
421.21878	3.1
424.12054	0.5
439.23026	8.1
445.12057	0.5
450.29269	0.5
455.18762	0.8
463.23004	3.8
481.24039	24.5
482.24591	1.2
489.20850	0.6
507.21964	5.7
508.22174	0.6
525.23022	100.0
526.23407	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	525.2306
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.64534	0.7
53.88910	0.6
69.03445	0.7
69.41560	0.7
70.37772	1.8
71.04990	1.8
79.05485	1.6
81.07048	3.3
89.03540	0.7
93.07048	1.5
95.01097	1.4
105.07018	1.9
107.08608	1.8
121.10146	1.2
127.00065	0.9
133.10127	1.1
137.48351	0.7
144.68660	0.8
145.10141	1.1
153.01720	1.5
185.04245	0.9
192.86536	0.7
227.05270	1.5
243.04845	1.9
245.06377	0.9
258.03809	0.8
259.16669	2.2
271.04227	2.1
277.17725	3.0
287.03754	1.7
289.05215	3.6
393.18729	1.3
403.20941	0.8
421.22034	2.5
437.17773	12.0
438.18192	1.0
439.22928	4.4
445.22034	3.3
463.23074	13.0
481.24075	26.0
482.24631	1.1
489.20978	20.8
507.21997	55.8
508.22446	2.8
525.23047	100.0
526.23151	5.0
536.06366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2331
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.02381	1.2
53.03943	1.0
54.19799	1.1
55.05500	4.1
56.39393	0.9
57.07064	1.3
60.88313	0.9
67.05507	9.3
67.99425	0.9
69.03419	6.5
69.07064	6.9
69.77592	3.7
69.77972	1.5
76.39286	0.9
79.01849	3.5
79.05482	2.6
81.03437	5.8
81.03828	1.1
81.07040	10.0
83.04977	3.9
83.08606	4.4
85.02914	4.8
85.06538	1.9
91.05460	2.1
91.79030	1.1
93.07039	6.1
95.04955	1.1
95.08604	17.1
97.02902	5.9
97.06557	1.2
99.04437	0.9
99.08123	2.1
100.83572	0.9
105.07019	4.3
107.01293	1.9
107.08572	11.9
109.02882	5.0
109.06520	3.9
109.10150	45.0
110.10485	1.1
111.08100	1.5
119.08577	21.6
121.10116	4.9
123.08038	5.3
123.11693	4.4
125.02317	2.8
127.03924	6.9
131.04919	1.0
133.10133	9.4
135.11681	48.1
137.05942	3.7
137.09587	8.0
143.03406	6.0
145.04889	1.2
149.13249	3.6
151.07504	1.7
151.11165	3.6
151.14809	5.4
153.01817	100.0
153.02863	4.1
154.02202	1.6
159.67775	1.0
163.07573	3.0
165.16362	1.5
171.02870	11.9
175.14813	19.1
177.09140	5.7
178.09450	3.2
193.15862	31.8
196.44516	1.0
211.16913	29.1
221.11848	1.1
260.12973	1.1
289.05234	2.6
297.05966	5.7
315.06998	7.4
332.15585	2.3
481.24225	1.8
507.21667	1.7
525.22656	6.9
525.34534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11307	0.5
64.04990	0.5
65.45274	0.4
66.16320	0.4
67.05505	0.5
68.57107	0.4
71.04978	0.7
81.07063	0.9
91.05473	0.5
93.07045	1.4
95.08633	0.7
95.35337	0.5
107.08563	0.9
108.01695	0.5
121.10142	0.7
127.00015	0.6
131.04932	1.3
137.05949	0.7
149.13411	0.5
163.07516	0.6
167.06950	0.7
167.14282	0.8
169.04770	2.0
177.08902	1.2
203.05391	0.8
220.54008	0.4
245.06293	3.9
259.16632	5.0
277.17731	7.5
289.05295	4.0
305.17377	0.6
314.88876	0.5
328.35471	0.5
337.44489	0.6
369.18820	2.0
372.69733	0.5
411.19928	3.9
421.21854	2.8
439.22986	7.4
463.23123	2.3
481.24060	25.4
482.23917	1.1
507.21869	3.9
525.23029	100.0
526.23157	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	525.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01861	1.5
55.05502	7.0
57.03402	1.1
59.04996	1.4
67.05496	10.8
69.03434	3.3
69.07064	5.6
69.70383	0.9
69.77948	2.8
79.01855	3.1
79.05492	3.2
81.03413	5.8
81.07051	9.1
83.04972	26.5
83.08594	1.0
85.02901	4.1
91.05474	1.3
93.07049	5.2
95.04959	3.0
95.08595	8.1
97.02874	2.2
97.06492	1.1
98.22832	2.3
98.23386	1.7
99.04435	1.8
105.07034	1.9
107.01340	1.6
107.08606	4.3
109.02878	3.1
109.06509	4.0
109.10143	17.3
111.08089	2.5
119.08561	4.4
121.10144	2.9
123.07981	1.3
123.11703	1.4
124.07785	1.0
125.02359	2.8
127.03933	3.8
133.10123	3.7
135.08000	1.3
135.11641	5.8
137.06009	1.9
137.09605	35.8
137.10663	2.0
143.03384	6.7
149.09549	1.3
153.01810	100.0
154.02219	1.5
155.10680	5.0
161.05978	1.4
165.09079	1.3
171.02811	7.1
172.19493	0.8
175.14870	5.3
179.03401	1.0
181.04901	1.1
182.73219	0.8
193.14104	1.7
193.15858	30.1
195.28035	0.9
205.04947	1.6
211.16884	1.5
297.05960	2.5
315.07053	12.2
361.79935	1.0
525.19702	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	525.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01867	2.0
55.05508	16.6
57.03426	3.7
57.07061	1.5
59.84292	1.1
65.03909	1.3
66.80051	1.1
67.05497	24.1
69.03425	1.3
69.07061	11.0
71.41785	1.1
76.42398	1.2
79.05488	21.1
81.03410	2.8
81.07048	22.1
83.04977	2.9
83.08615	8.1
83.89059	1.3
89.27645	1.0
91.05467	15.4
93.07028	12.3
95.04963	5.0
95.08594	17.0
95.77902	1.2
97.06523	3.7
97.10160	7.1
105.07022	14.9
107.04976	1.5
107.08572	7.9
109.06497	1.2
109.10143	8.9
115.05461	1.7
117.07006	10.1
119.08581	14.0
121.06471	1.5
121.10191	3.9
123.08083	2.1
123.11670	1.3
125.09624	2.4
128.06169	5.7
129.07007	12.1
131.08537	13.0
131.09309	1.2
133.10129	6.9
135.08023	1.6
135.11691	2.0
137.09636	1.6
141.06987	6.2
142.07787	4.6
143.08531	17.5
145.06541	1.5
145.10107	13.4
145.11105	1.6
147.11688	4.9
153.07027	2.7
154.07773	3.2
155.08540	17.4
156.09300	2.3
157.10104	15.7
157.23631	1.2
159.08083	1.7
159.11639	9.0
161.13275	1.5
163.11227	1.5
165.07048	2.8
166.07767	1.6
167.08533	8.4
168.09314	3.6
169.10117	17.6
171.11662	12.7
173.09578	1.6
173.13219	5.2
175.11293	1.2
179.08604	5.1
180.09312	2.0
181.10056	13.8
183.11670	16.9
185.09540	1.2
185.13170	6.7
187.11334	1.2
187.14795	1.5
189.11345	1.8
193.10133	5.5
193.12086	1.4
194.10802	1.9
195.11694	15.7
197.13240	12.3
199.14818	4.7
205.10341	2.3
207.11705	5.9
208.12393	1.2
209.13219	10.3
211.14822	5.1
213.16472	1.5
219.11697	1.5
221.13269	6.6
223.14807	7.5
225.13013	1.5
225.16331	2.5
233.13264	3.3
235.14830	4.8
237.16411	2.6
247.14867	2.5
249.16417	1.8
261.16299	1.2
263.18018	1.5
265.19595	1.8
269.19159	1.2
275.17883	1.9
277.19467	1.9
283.16943	1.1
285.18274	1.4
291.20950	1.4
293.18863	1.2
297.22296	1.2
299.23694	1.6
307.20636	2.6
309.22049	3.1
313.21826	1.9
321.22168	3.0
325.21542	2.0
327.23392	1.6
335.23676	2.1
339.23364	3.0
347.23688	2.1
353.25000	1.9
365.24963	1.9
377.24728	1.5
405.31485	2.0
415.29752	6.8
431.29410	1.4
433.30975	23.6
434.31546	1.3
451.32047	12.4
469.33157	6.2
471.32782	2.0
489.33987	2.7
507.34775	12.1
513.20398	1.2
525.35748	100.0
526.36176	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	526.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05505	3.4
57.03429	9.4
61.02929	1.6
67.05509	1.7
69.03422	3.9
73.02912	15.9
79.05488	2.0
81.03400	1.4
81.07074	1.5
83.08621	3.4
85.02913	2.8
91.05476	10.0
93.88077	1.2
93.88704	1.2
95.08582	1.3
97.02892	2.6
98.23206	5.6
100.07652	1.7
100.11243	9.9
102.04770	1.3
103.05453	22.3
105.07018	4.6
107.04971	5.3
108.05721	1.2
109.06517	1.8
109.10165	1.4
111.04390	2.3
119.04931	11.6
121.06531	2.3
123.04433	1.6
123.08076	4.8
125.05984	1.6
128.07121	1.5
130.04155	2.8
131.04913	85.0
132.05270	1.2
133.02829	2.7
133.06488	3.5
135.04362	1.2
135.08090	1.6
135.11748	1.2
136.05171	1.1
137.05959	17.0
147.04398	10.0
149.05980	6.1
150.06793	1.9
151.07518	15.7
153.01711	2.3
153.05466	4.1
154.02153	1.2
159.27301	1.1
161.05992	4.2
162.06738	8.6
163.07529	100.0
164.07939	2.1
165.05457	4.6
167.06999	1.4
169.08662	1.1
173.05917	1.6
177.05496	3.8
177.09279	1.0
179.07014	34.1
181.08589	6.0
182.15433	5.6
191.07019	2.2
193.08444	1.0
197.08061	24.9
209.16476	1.5
210.14880	9.9
223.09628	3.9
224.35278	1.1
227.17520	1.2
235.09654	1.1
281.08002	1.0
293.10144	3.8
309.11438	1.4
311.11343	1.2
317.90411	1.0
327.12244	27.6
328.12790	1.4
331.74500	1.3
337.21228	1.6
347.14862	2.2
356.86346	1.1
359.14890	18.4
377.15991	6.9
453.34094	1.3
526.23486	2.4
527.20996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	5.0
69.03419	5.7
69.23479	23.2
73.02905	8.0
78.33623	4.2
79.05478	9.2
81.07034	4.1
85.02907	7.6
91.05479	30.9
93.07027	13.7
95.04935	7.8
99.75489	4.3
103.05474	42.1
105.03359	6.4
105.07008	14.8
107.04942	8.3
109.06466	5.7
111.08060	8.2
115.05421	6.3
119.04922	36.5
119.08606	5.1
121.06535	5.6
121.10107	12.8
131.04915	45.9
133.06496	10.9
137.05966	100.0
138.06366	4.5
147.04390	14.8
149.05975	8.7
151.07541	19.8
153.01836	9.7
157.06575	4.7
161.05971	39.6
163.07547	64.7
167.10728	4.8
175.07510	25.1
179.07054	19.0
187.07536	9.3
189.09096	7.6
193.08472	6.2
207.10138	12.1
219.07925	7.6
291.32608	4.4
293.13818	8.8
301.10959	4.0
309.11224	14.5
311.12689	13.2
526.19128	23.3
527.17133	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	526.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.05500	1.9
57.03426	2.7
61.02939	1.3
67.05486	1.4
69.03432	7.5
69.07047	0.9
69.65060	2.5
71.04980	1.1
73.02859	1.0
75.04469	3.0
79.05483	5.4
81.03404	5.4
81.07043	2.9
85.02900	17.5
91.03929	0.7
91.05479	4.9
92.04984	4.0
93.07040	34.9
95.04956	2.7
95.08604	2.8
97.02886	8.0
98.22688	0.8
99.04455	2.8
103.05446	1.0
105.07005	3.8
107.08589	7.9
108.04423	1.0
109.02920	4.2
109.10145	1.5
109.71854	0.9
111.08075	1.8
119.08578	5.5
121.10138	36.3
123.11685	1.4
127.03887	6.1
130.01866	1.0
131.08589	2.0
133.10107	1.4
134.38683	0.8
134.48299	0.8
134.49417	0.8
136.03925	4.3
137.05942	1.1
139.11189	2.2
145.04953	6.4
149.09598	17.1
153.01871	1.6
154.04977	100.0
163.06009	2.4
167.10648	16.4
175.14780	2.0
185.11694	1.1
196.06073	1.9
240.87517	0.8
262.07056	1.0
264.54532	1.0
280.08133	16.0
280.11163	0.9
293.13867	2.8
298.09216	6.6
311.14880	9.8
316.10220	21.4
316.13629	1.5
329.15747	1.6
400.75745	0.9
448.76245	1.0
526.15784	2.3
527.16730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07193	1.8
53.03944	3.4
57.03434	3.6
69.03413	11.1
69.21342	11.4
69.25920	1.9
71.04973	2.3
71.16311	1.9
75.04459	7.1
79.05477	21.1
81.03429	13.8
81.07056	5.8
85.02872	8.8
91.05469	15.4
93.07036	99.9
95.04945	4.9
95.08631	1.9
97.02882	7.5
99.04470	2.6
105.07005	10.4
107.08587	23.5
109.02865	5.6
111.04407	2.3
111.08066	4.0
119.08538	12.5
121.06502	2.7
121.10134	100.0
122.10455	2.1
123.11713	2.9
127.03911	4.5
129.05507	1.9
131.08546	7.9
139.11163	3.6
145.04979	3.4
149.09604	38.6
153.01831	3.2
161.05888	2.4
167.10670	32.9
293.13770	7.7
311.14868	31.9
526.19714	8.8
527.17859	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	526.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37851	2.1
51.75170	1.8
55.05500	3.1
55.49356	1.8
57.03426	3.1
69.03432	10.2
69.15584	10.1
75.04472	6.1
79.05489	18.2
81.03409	11.8
81.07042	5.5
83.85622	2.0
85.02883	9.2
91.05475	12.7
93.07040	100.0
95.04980	6.0
95.08608	3.0
97.02882	8.2
105.07018	11.6
107.04970	2.3
107.08584	18.1
109.02849	5.6
111.08075	6.8
111.91796	2.2
119.08578	17.4
121.10138	99.6
122.10463	1.9
123.11755	2.5
127.03933	5.7
131.08565	6.2
137.06003	2.5
139.11186	6.2
145.04912	4.2
149.09605	42.2
151.11165	3.9
155.19235	2.2
167.10683	36.6
189.09135	1.9
293.13843	10.3
301.54547	1.8
311.14886	38.5
435.22424	1.9
499.90897	2.1
526.19769	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	526.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50445	0.4
55.05504	1.2
57.03434	0.7
61.02923	0.7
67.05495	1.5
69.03426	3.3
69.07058	0.7
71.04985	0.7
75.04465	0.9
79.05480	1.3
80.04993	0.8
81.03434	1.3
81.07043	1.7
85.02896	9.2
91.05474	2.2
92.04996	3.9
93.07030	7.8
94.10439	0.5
95.04955	0.8
95.08587	2.0
97.02873	3.1
99.04453	2.0
105.07011	1.3
107.04925	0.6
107.08590	2.5
108.04503	1.0
109.02871	1.9
109.10143	2.6
111.08051	1.1
116.09387	0.5
119.08560	1.6
121.10132	9.2
123.11712	0.7
127.03941	3.2
131.04881	0.6
131.08565	0.7
133.10120	1.4
135.11664	0.7
136.03902	3.5
137.06001	1.3
137.09671	0.7
138.45657	0.5
139.11168	1.3
145.04939	4.0
147.11766	0.5
149.09607	3.1
153.01807	1.3
153.50684	0.5
154.04974	100.0
155.05305	1.4
163.06036	1.1
163.07423	1.1
167.07050	0.5
167.10664	5.4
175.14796	2.2
196.06070	1.5
262.07135	1.7
280.08118	17.3
293.13678	0.5
298.09158	8.9
311.14816	1.9
311.18176	0.5
316.10223	20.1
353.51459	0.4
354.67053	0.5
440.48480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07833	1.2
53.03942	2.3
55.01870	5.2
55.05508	15.2
57.03428	8.9
59.04982	2.7
65.03902	1.3
67.05497	18.4
69.07063	6.1
69.28289	6.8
71.04990	2.3
79.05486	23.7
81.03405	8.8
81.07050	19.3
83.01340	5.2
83.04990	8.6
83.08611	10.1
85.02888	1.6
85.46499	1.1
90.43685	1.1
91.05466	16.8
91.48021	1.5
93.07037	30.8
93.07607	2.1
95.04974	10.6
95.08598	20.9
97.02888	3.5
97.06528	5.2
97.10123	1.8
99.04448	4.1
99.80801	1.2
105.07024	12.4
107.04946	10.5
107.08583	20.0
107.09272	2.1
109.02897	4.0
109.06513	4.7
109.10143	3.0
109.30516	1.2
111.04482	1.6
111.08067	2.4
117.06991	8.1
119.08562	13.4
121.06506	5.2
121.10123	9.2
122.41203	1.2
123.08065	3.7
125.05998	1.9
128.06261	1.1
129.07002	2.3
131.08543	4.4
133.09277	1.2
133.10092	6.8
135.08086	2.2
135.11678	27.3
143.08556	1.8
145.10095	23.5
147.08057	1.9
147.11702	1.7
149.09622	2.3
153.12775	2.0
155.08577	1.9
157.10149	1.9
161.09584	2.3
163.11171	40.9
173.09671	2.7
181.12239	7.2
191.10681	1.4
193.12274	1.9
209.11746	5.5
225.11195	4.0
227.12767	45.0
267.15887	8.2
281.13806	3.1
283.15366	100.0
284.15839	3.3
290.02377	1.3
434.31186	2.1
473.25531	3.2
491.26346	49.1
492.26617	3.1
526.36652	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	526.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03951	1.0
55.01865	7.5
55.05508	12.3
57.03432	9.5
57.07066	1.3
58.99303	0.6
59.04994	1.8
62.33627	0.6
65.03937	0.6
67.05155	1.0
67.05495	10.9
69.03407	0.9
69.07059	3.7
69.81034	1.5
71.01351	0.8
71.04989	2.7
77.03930	0.9
79.05488	15.2
81.03417	6.9
81.07048	15.0
81.87017	0.6
83.01335	8.8
83.04971	10.2
83.08610	8.7
85.02919	2.9
91.05467	9.7
93.07035	19.2
95.04958	5.8
95.08595	5.6
97.02879	2.0
97.06491	3.0
97.10162	1.7
98.22775	0.8
99.04445	1.5
105.04491	1.2
105.07014	7.3
107.04945	6.4
107.08585	11.6
109.06509	5.3
109.10152	1.9
111.04418	1.9
111.08102	1.8
111.96849	0.6
117.06999	6.9
119.08572	7.2
121.06490	2.8
121.10142	6.9
123.04458	1.0
123.08060	6.9
125.05910	1.4
125.09571	1.2
128.06152	0.7
129.06953	1.1
130.07796	1.3
131.08572	2.5
133.10132	0.9
135.08054	1.6
135.11681	9.3
137.09607	1.0
139.07545	0.6
139.11322	0.6
143.08611	0.7
145.10107	12.3
147.08017	1.3
147.11708	0.7
153.12703	2.3
155.08580	1.1
163.09767	1.1
163.11162	21.5
173.09660	2.9
181.12224	2.8
191.10658	2.5
209.11671	7.8
214.66879	0.6
227.12717	4.6
283.15369	100.0
284.15683	2.4
428.52560	0.8
491.26340	31.4
526.35938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.9
55.01879	7.6
55.05509	30.2
57.03427	15.4
64.29423	5.1
67.05499	58.0
69.07069	15.1
69.25492	30.8
73.68954	5.8
79.05491	95.5
81.03416	75.9
81.07054	74.3
83.04974	22.4
83.08616	26.4
85.02900	25.5
85.06544	5.9
91.05475	100.0
93.07043	78.7
95.04965	44.0
95.08617	32.5
96.07754	5.8
96.60448	6.2
97.10159	7.1
97.86121	6.6
105.07027	63.2
107.04947	12.3
107.08593	25.8
109.06508	13.0
109.10135	10.6
111.08038	6.6
113.06028	7.1
117.07009	13.9
119.08565	35.2
121.10175	15.8
123.08109	6.5
129.07030	27.6
131.08557	16.1
132.19046	5.4
133.10168	16.6
142.07741	7.3
143.08543	8.8
145.10120	15.4
147.08011	9.8
147.11684	55.4
149.09592	8.0
157.10146	11.4
161.13290	17.3
171.11693	34.6
171.70999	5.7
189.12761	15.0
191.19461	6.0
193.12242	32.8
207.13747	37.2
211.13298	50.8
216.08446	5.9
262.86438	6.2
267.15878	34.9
281.17450	86.5
285.16931	39.5
330.68274	5.9
473.28934	41.7
491.30017	79.5
514.81744	6.1
526.36237	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	526.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
55.05516	40.2
57.03434	16.3
61.33631	6.6
62.46890	7.0
64.36919	7.1
67.05501	83.9
69.07068	23.5
69.29613	39.0
79.05492	92.0
81.03414	78.6
81.06611	11.5
81.07053	78.8
81.07464	12.0
83.04990	31.4
83.08622	24.6
85.02905	15.4
85.06536	8.2
87.88040	8.1
91.05476	67.7
93.07048	85.2
94.41722	6.8
95.04961	54.6
95.08593	45.3
97.06529	16.8
97.10139	16.1
105.07020	80.3
107.04954	21.4
107.08601	30.7
109.06525	14.2
109.10164	24.7
111.08106	10.8
117.06995	20.6
119.08564	50.3
121.10140	12.3
128.06145	7.1
129.07001	30.7
131.08575	34.8
133.10118	32.8
137.59216	7.6
143.08585	21.4
145.10138	32.3
147.08047	10.0
147.11688	39.7
155.08528	16.7
157.10089	20.4
159.11678	7.5
161.13254	15.4
171.11707	25.8
175.11224	19.9
183.11671	14.6
189.12860	10.8
193.12190	35.9
195.11583	11.6
195.89250	7.3
197.13344	10.3
207.13834	30.8
211.13318	47.5
267.15884	44.8
271.26062	7.7
281.17499	100.0
285.16922	32.6
381.09900	7.4
386.18576	6.9
435.32739	18.0
452.32407	9.9
453.33121	8.9
473.28955	75.0
491.30154	82.4
508.35663	10.1
526.36334	45.4
527.37494	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10320	1.4
55.05496	2.6
57.07071	53.1
57.23194	1.4
67.05496	1.4
69.07051	4.2
69.19102	9.5
71.08623	50.4
73.06537	4.1
83.08598	3.9
85.09683	2.5
85.10174	29.8
87.04486	3.5
89.06023	100.0
97.10166	5.1
98.22720	3.1
98.23396	4.7
99.11709	5.3
99.44858	1.4
111.11700	4.3
113.13268	4.4
117.09120	4.6
123.95737	1.4
125.13215	1.7
127.14787	4.3
133.08589	62.1
177.11206	24.1
195.12250	1.5
196.75002	1.6
221.13847	4.9
239.14760	3.7
256.26456	2.8
271.26236	3.5
283.17413	3.9
315.28848	3.5
327.20084	20.2
509.40390	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	527.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	24.9
62.71692	0.4
69.03407	1.6
69.25817	2.7
70.06542	0.5
73.61607	0.5
74.86230	0.5
74.97583	1.0
79.54079	0.5
81.03401	1.3
81.98444	0.4
83.97620	1.0
84.04488	0.6
97.99172	3.5
98.23434	0.8
99.04453	0.8
109.99168	0.5
110.47731	0.5
112.00735	0.9
113.98605	0.7
114.02306	0.5
116.00202	2.2
118.03487	0.9
121.99134	1.5
124.00700	22.4
128.00151	1.2
130.04965	0.7
131.99660	0.9
136.00664	1.4
139.01749	1.2
140.00177	17.5
141.03371	1.1
142.01744	100.0
146.01144	0.6
147.07623	0.5
150.00729	1.4
154.01706	4.5
157.02831	2.4
158.01237	9.9
159.04388	10.7
160.02798	41.7
161.03252	0.5
161.07639	0.9
164.55415	0.5
166.01758	1.0
167.99683	2.0
168.01784	0.7
172.02756	3.6
175.03922	1.0
176.00142	0.8
176.02345	1.0
177.05489	3.6
178.03883	2.6
183.04477	0.6
183.86598	0.5
184.02798	0.9
185.02267	10.1
186.00711	7.7
187.05620	1.1
194.01218	1.3
194.04881	1.8
196.02686	0.7
203.03363	77.8
204.01805	8.5
204.03598	1.2
205.06662	1.1
208.02878	1.0
212.02332	1.3
213.47974	0.5
214.04073	0.5
219.04320	2.6
221.04317	40.5
221.05798	5.2
222.02708	1.1
222.04709	1.0
237.05399	5.8
238.03731	1.0
239.07034	7.0
242.06345	0.8
247.03844	1.4
255.06572	0.9
256.04886	1.0
257.08139	1.7
260.05548	0.9
265.04883	4.3
266.03336	2.0
268.05917	0.5
271.05853	0.6
283.05948	17.3
285.09283	0.7
300.08722	1.5
301.07031	68.2
302.07364	1.8
311.56064	0.5
313.08054	13.9
314.06464	8.0
319.08020	4.5
324.08557	0.7
331.09189	20.3
332.07654	2.1
349.11618	0.7
398.12326	3.8
411.11801	30.0
412.10156	11.2
429.12891	32.7
430.12631	1.8
509.16141	1.1
512.16858	0.5
527.16620	18.4
528.16180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43306	1.1
56.96555	23.6
66.24983	1.1
66.44386	1.1
69.03413	2.6
70.06590	2.9
70.31035	2.7
81.03426	1.9
83.97625	1.7
97.99180	3.1
99.04436	2.7
99.32554	1.2
116.00224	2.1
121.99151	1.5
124.00675	16.4
128.00160	1.5
136.04610	1.3
140.00163	18.5
141.05127	1.5
142.01744	100.0
143.06653	1.6
153.01804	1.2
154.01747	4.9
154.12215	1.2
157.02879	1.6
158.01201	10.0
159.04416	14.2
159.05821	1.8
160.02800	62.2
161.03162	1.7
161.07722	2.8
167.99673	1.2
172.02837	4.4
176.02327	1.5
177.05446	5.6
178.03848	3.5
183.04553	1.7
185.02303	9.1
186.00740	6.5
187.05655	4.1
194.01208	1.8
194.04822	2.1
196.02870	1.4
203.03363	85.9
204.01755	9.4
205.06706	3.2
212.02347	1.7
219.04361	1.9
221.04338	57.0
222.02802	3.2
228.31438	1.4
237.05392	6.6
239.06969	10.8
242.06276	3.9
245.04752	2.5
247.03871	1.5
257.08011	2.9
265.04953	4.4
266.03326	2.7
267.02094	1.5
267.08148	2.5
283.05911	19.1
285.09247	1.8
286.06970	1.2
300.08670	1.3
301.07028	71.2
302.07379	3.3
313.07959	14.3
314.06421	8.2
319.08026	4.7
331.09143	24.6
332.07590	3.1
343.02963	2.8
365.10358	4.1
373.33926	1.1
398.12286	4.7
411.11810	36.5
412.10217	14.5
429.12885	41.7
509.15518	1.5
527.16595	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70882	0.4
70.71226	0.7
73.19856	0.4
79.01555	0.6
86.38889	0.4
95.01017	1.5
96.01788	0.5
112.73857	0.4
113.02055	1.1
117.06626	0.4
126.99983	0.5
137.32536	0.5
138.02826	0.5
141.05130	1.6
153.01686	1.8
159.04057	0.4
167.03070	0.5
176.09830	0.4
181.04633	0.6
183.15015	0.4
185.04115	1.4
189.05228	0.8
192.77406	0.4
199.05646	1.3
203.05116	0.5
204.07571	4.3
217.08315	0.7
227.05229	2.8
243.04738	0.5
245.06126	0.5
253.03172	0.5
267.68686	0.4
271.04147	1.2
279.11972	4.3
301.08914	0.8
307.11514	4.1
423.15979	1.2
441.17245	15.7
441.23352	0.9
454.30856	0.4
455.64008	0.5
483.18311	55.9
484.18604	2.0
527.17303	100.0
528.17651	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	527.1731
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
69.03419	1.0
71.27036	1.0
79.01620	1.1
79.05473	0.8
81.03423	0.8
82.00334	0.9
93.07043	2.6
94.07348	0.8
95.01104	1.5
97.02864	0.8
105.07008	1.4
113.02139	1.4
121.10162	2.8
122.10516	1.4
141.05223	1.1
149.09706	1.1
153.01776	2.6
167.10834	0.9
181.04660	1.2
185.04187	1.8
197.04112	0.8
203.25713	0.8
204.07526	5.6
209.04294	0.8
217.08293	1.0
227.05275	3.4
259.07761	0.8
271.04153	1.5
279.12048	6.2
305.11246	0.9
307.11441	5.1
397.32541	0.9
423.16391	1.4
441.17221	16.0
442.17505	0.9
483.18350	55.2
484.18631	2.7
527.17291	100.0
528.17517	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	527.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05494	2.6
55.85794	0.9
62.77728	0.9
67.05488	3.4
69.03404	7.5
69.07045	1.7
69.42421	4.9
70.06573	1.6
70.13049	1.1
79.05470	5.1
81.03391	3.3
81.07046	7.0
83.04976	7.5
85.02901	3.4
85.06565	1.0
91.05468	6.3
92.06754	1.0
93.03389	1.4
93.07036	3.5
95.04958	1.6
95.08582	2.6
97.02878	3.6
105.00501	0.9
105.07034	6.3
107.04943	2.8
107.08582	18.6
109.02850	1.5
109.06502	3.1
109.10154	6.2
111.04436	2.5
115.05421	1.7
117.07038	2.2
119.08579	3.5
121.02831	4.4
121.06455	1.7
121.10125	9.8
122.07269	4.6
123.08072	1.7
127.03870	3.9
131.08577	2.5
133.10115	100.0
134.10434	2.5
135.08047	8.8
135.11670	1.4
136.07556	1.1
137.05983	1.7
137.09595	51.8
139.03896	6.8
145.04982	1.7
147.11726	1.5
149.13226	10.6
149.65907	0.9
151.07494	1.3
151.11153	1.3
153.01781	9.2
157.04927	4.1
161.05916	1.7
161.09676	1.0
163.14812	1.7
164.07074	1.3
165.12715	3.6
173.13315	5.2
189.09035	2.2
189.89186	1.1
191.14281	46.9
207.10236	2.1
209.15369	15.9
214.61028	1.1
215.65541	1.1
283.07898	1.3
301.09186	2.1
319.10275	1.8
368.56476	1.1
527.24042	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	527.3343
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
51.51115	0.6
55.05480	0.7
67.05512	0.6
70.92741	0.8
86.24968	0.6
89.92191	0.6
98.23082	0.7
377.97327	0.6
411.76410	0.6
521.72748	0.7
527.33392	100.0
528.33899	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	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01878	2.7
55.05507	17.5
56.98357	0.9
57.03435	4.8
57.07067	1.6
59.05002	1.3
65.03938	1.9
67.05502	35.4
69.03407	1.1
69.07066	14.4
71.04989	1.9
71.08642	1.3
74.34650	0.9
77.03867	0.8
79.05486	24.7
81.03435	5.7
81.07049	31.7
83.04996	2.7
83.08617	10.1
85.06524	2.4
89.06042	2.2
91.05470	24.6
93.07040	24.9
95.04970	5.8
95.08603	19.9
97.06530	3.5
97.10190	4.7
99.08080	0.9
103.05454	1.5
105.04551	1.3
105.07025	23.3
107.04984	1.2
107.08578	12.2
107.35103	1.0
109.06519	1.3
109.10155	10.1
111.08100	1.7
115.05454	2.4
116.74728	1.0
117.07007	14.7
119.08578	16.7
121.06486	1.5
121.10136	9.7
123.08113	1.1
123.11755	1.5
125.09666	3.1
128.06244	4.2
129.06998	15.0
130.07838	1.9
131.08560	23.0
133.08601	1.5
133.10098	11.2
135.08104	1.3
135.11650	5.6
137.09674	1.1
139.11263	1.3
141.06990	5.0
142.07817	3.3
143.08563	20.7
143.09607	1.4
144.09229	1.1
145.06479	1.0
145.10118	21.2
145.11223	1.4
147.11671	5.3
149.09637	1.7
149.13263	2.5
153.06969	1.1
154.07785	1.0
155.08537	13.1
156.09358	3.3
157.10126	18.4
159.11699	13.8
161.13287	3.3
167.08589	3.6
168.09256	1.5
169.10109	12.8
171.11682	15.4
173.11810	1.5
173.13214	8.8
175.14926	0.9
176.28940	0.9
179.08466	1.5
180.09341	0.8
181.10115	6.5
182.10895	2.2
183.11678	12.7
183.75844	1.0
185.13234	10.7
187.14859	2.9
193.10274	1.6
193.12263	3.3
195.11653	6.1
197.13252	9.3
199.14809	6.5
201.16411	1.1
207.11771	1.2
209.13271	5.9
211.14796	6.1
213.16455	3.5
213.59871	0.9
221.13333	2.2
223.14870	4.0
225.16499	2.1
225.93242	0.9
237.16389	1.9
239.14345	1.1
239.17976	1.4
241.19511	0.9
249.16348	1.1
251.17957	1.3
257.19250	1.2
259.20502	2.1
261.22202	1.0
263.17899	1.6
265.19647	1.2
269.18924	1.6
281.19312	1.1
283.20587	1.9
297.22171	2.3
301.21860	0.9
309.22150	3.0
313.21652	1.1
315.23172	1.8
323.19971	1.0
323.23746	2.5
325.25122	1.2
327.23181	1.2
335.23730	1.2
341.24799	2.7
353.24719	2.3
361.25122	1.1
375.26614	1.0
381.28259	1.2
417.31693	5.7
435.32532	18.9
436.32794	1.5
453.33881	7.7
456.99155	1.1
471.34970	2.6
473.34161	2.0
482.30527	0.9
491.34952	2.1
509.36139	10.0
527.37317	100.0
528.37714	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	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01868	2.5
55.05503	14.1
57.03427	3.4
57.07064	2.6
62.26503	0.6
63.46920	0.7
65.03924	2.6
67.05497	31.7
69.07061	12.0
71.04977	1.0
73.06533	0.7
77.03888	0.7
79.05486	22.6
81.03411	2.9
81.07053	25.2
82.88902	0.7
83.04972	2.6
83.08601	7.5
85.06548	1.1
91.05468	21.6
93.07037	19.8
93.07603	1.4
93.22116	0.7
95.04964	4.6
95.08591	17.1
97.06530	3.3
97.10160	3.7
99.08086	1.0
105.04531	1.2
105.07017	21.7
107.08588	11.6
109.06526	1.2
109.10130	8.1
111.08086	1.6
115.05450	1.7
117.07007	13.8
119.08570	15.5
121.06484	0.8
121.10151	6.3
123.08042	2.0
123.11686	1.9
125.09614	2.1
128.06187	3.4
129.06989	13.5
130.07753	1.6
131.08554	21.3
133.10121	9.6
133.11037	1.0
135.08078	1.0
135.11681	3.7
139.11174	0.8
141.06955	6.0
142.07787	3.1
143.08540	20.4
144.09299	0.9
145.10110	18.1
146.63431	0.6
147.08063	1.2
147.11687	5.0
149.09610	1.0
149.13263	2.6
153.07030	1.3
155.08537	11.3
156.09319	2.4
157.10114	15.7
159.08087	0.8
159.11678	11.3
161.13258	2.6
163.11182	1.5
165.06981	1.1
166.07834	1.0
167.08553	4.4
168.09361	1.3
169.10103	14.1
170.10754	0.9
171.11674	12.2
173.13208	6.6
175.11125	1.4
175.14856	1.2
177.12659	0.8
179.08514	1.2
180.09322	1.1
181.10080	7.2
183.11656	10.3
185.09647	0.9
185.13242	9.1
187.14793	3.8
189.12766	0.9
193.10106	1.7
195.11694	6.7
195.13649	1.1
197.13245	6.6
198.97417	1.2
199.14796	5.0
201.16356	1.4
205.10201	1.0
207.11667	2.7
209.13225	4.5
211.14822	6.0
213.16388	2.7
220.00400	0.7
221.13211	2.1
223.14735	5.1
225.16444	3.0
227.17989	1.5
235.14775	1.7
237.16295	1.5
239.18034	1.2
241.19551	1.1
251.18198	0.9
256.26382	1.3
257.19037	0.7
257.26694	1.3
259.20584	2.3
263.17862	1.3
265.19531	1.2
267.21228	0.9
279.21091	0.9
281.19107	0.9
283.20654	2.0
285.18835	0.7
285.22070	1.0
293.22720	0.8
293.99814	0.7
295.20633	1.2
297.22025	2.1
299.20096	0.9
301.21747	0.9
309.22119	1.4
311.20239	0.9
311.23416	1.4
313.21384	1.2
315.23071	2.2
323.23590	1.6
325.25159	1.0
335.23788	1.0
337.25272	1.2
339.23117	1.2
341.24689	1.4
349.25562	0.8
351.23163	1.2
353.24884	1.1
355.26416	0.8
379.26279	1.0
393.27682	1.5
407.33090	1.1
417.31546	5.9
435.32556	18.4
436.32370	1.0
453.33636	9.3
471.34668	4.8
473.34134	1.4
491.35345	1.5
509.36182	10.3
527.37219	100.0
528.37677	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	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01858	2.0
55.05505	14.1
57.03430	3.0
57.07063	1.3
65.03928	1.9
67.05497	25.1
69.07056	10.5
69.11553	1.3
69.11972	2.7
71.04979	2.4
77.03934	0.5
79.05482	19.4
79.05945	1.2
81.03410	9.5
81.07046	25.5
83.04957	1.8
83.08605	9.1
85.06525	1.5
85.10638	0.5
91.05466	20.1
93.07035	17.7
95.04965	5.2
95.08019	1.2
95.08598	16.4
97.06519	2.7
97.10162	4.4
99.08116	0.8
105.04517	1.3
105.07015	18.6
107.04930	1.3
107.08585	12.6
109.06515	1.3
109.10140	7.7
111.08047	1.4
115.05462	2.0
117.07005	11.6
119.08570	13.5
121.06455	0.9
121.10136	6.7
123.08021	1.4
123.11736	1.4
123.21086	0.6
125.09605	1.5
128.06192	3.6
129.06989	12.3
130.07793	1.5
131.08543	16.3
133.10114	9.6
135.11665	3.5
137.09615	0.6
141.06946	3.9
142.07784	3.6
143.08546	14.4
143.09624	0.9
144.09331	0.9
145.10101	16.7
145.11215	1.0
147.11664	5.0
149.09694	1.0
149.13286	2.6
151.11183	0.6
153.06995	1.0
154.07722	0.9
155.08543	9.9
156.09329	1.5
157.10114	16.3
158.10547	0.6
159.11684	10.6
161.13268	2.3
163.14816	0.5
165.07051	1.0
167.08519	3.4
168.09331	1.6
169.10097	11.2
170.10773	1.1
171.11684	11.9
173.09586	0.7
173.13232	7.0
175.11185	1.8
175.14734	0.9
177.12793	0.6
179.08582	1.8
180.68605	0.6
181.10109	5.4
182.10870	0.7
183.11653	10.4
184.12300	1.2
185.09566	1.0
185.13226	8.9
187.11143	0.9
187.14833	3.0
189.11267	0.8
193.10147	1.6
193.12248	3.8
195.11633	4.8
197.13249	6.8
199.11380	0.6
199.14775	5.1
201.12802	0.7
207.11700	1.8
209.13234	3.8
211.14783	4.3
213.12743	0.9
213.16388	2.1
221.13254	1.4
223.14859	2.8
225.16449	2.2
227.18085	1.1
235.14769	1.4
237.16357	1.8
239.17981	1.6
241.19597	1.3
247.13084	0.7
249.16321	1.7
251.17998	1.0
257.18909	1.2
259.20615	1.3
261.22232	1.7
281.19012	1.1
283.20624	1.3
295.20587	1.2
297.22067	1.7
299.90598	0.7
301.25119	0.9
309.21997	1.2
311.23599	1.6
315.23273	1.3
323.23645	2.0
325.25259	1.3
337.25452	0.8
339.23309	1.5
353.24817	0.8
355.26166	0.7
379.26431	0.9
417.31522	4.9
435.32495	14.2
436.32959	0.7
450.90961	0.6
453.33655	7.1
457.29889	0.9
471.34732	2.5
473.33826	1.1
491.34952	1.3
509.36221	8.3
527.30457	4.5
527.37256	100.0
528.37561	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.6
53.03944	1.8
55.01855	2.4
55.05506	17.0
57.03431	4.1
57.07069	5.0
57.66242	0.6
57.90158	0.5
58.47747	0.6
59.04985	1.0
65.03931	2.0
65.95260	0.5
67.05497	32.6
69.07062	13.4
70.88481	0.6
71.04982	1.8
71.08620	2.5
73.06539	0.9
77.03915	1.0
79.05487	26.3
81.03404	3.7
81.07050	29.8
83.04987	2.6
83.08607	7.1
85.06534	1.7
85.10194	1.4
87.04459	0.7
89.06036	5.0
91.05472	25.1
93.07034	25.6
95.04951	4.9
95.08598	21.7
97.06515	2.6
97.10149	3.2
99.08076	0.7
103.05474	1.0
105.04518	1.6
105.07024	24.3
107.04951	1.0
107.08588	13.8
109.06512	1.1
109.10139	8.5
111.08057	1.8
115.05452	2.3
116.06256	0.7
117.07007	12.8
119.08572	18.9
121.06489	1.0
121.10123	7.3
123.08081	1.5
123.11674	1.9
125.09635	1.7
128.06198	4.3
129.07001	13.1
130.07808	1.4
131.08560	21.4
133.06413	0.8
133.08591	2.4
133.10115	11.9
134.08932	0.9
135.08032	0.8
135.11687	4.1
137.09679	0.6
137.13235	0.6
141.06966	4.9
142.07774	4.3
143.08551	18.1
144.09319	1.2
145.06491	0.7
145.10110	18.9
147.08057	1.0
147.11664	7.5
149.09599	1.2
149.13240	2.9
152.06310	0.6
153.07060	0.8
154.07784	1.3
155.08539	10.6
156.09317	2.3
157.10123	14.5
158.10716	0.6
159.11671	13.2
161.09641	0.7
161.13280	2.5
163.14864	0.7
165.07062	0.8
165.12708	0.6
167.08588	3.3
167.74982	0.6
168.09335	1.5
169.10112	11.1
170.10837	0.8
171.10185	0.7
171.11674	13.8
173.13248	7.1
175.14845	1.6
177.11212	1.1
177.12682	0.9
179.08553	1.6
180.09546	0.8
181.10112	5.8
182.10968	1.1
183.11673	12.0
185.09669	0.7
185.13220	10.6
187.14769	3.2
193.10100	1.9
193.12195	0.9
195.11658	5.6
195.13510	0.8
197.13240	8.2
199.14781	4.9
201.16418	1.4
207.11710	2.5
207.13551	0.7
209.13242	4.4
211.14787	4.1
213.12976	0.6
213.16469	2.7
221.13354	2.1
223.14789	3.5
225.16451	2.0
227.18007	1.0
235.14957	1.6
237.16331	1.9
239.17874	0.7
241.19540	0.8
249.16281	1.0
251.18024	1.2
257.19138	1.3
259.20490	3.0
265.19476	1.0
267.21265	0.6
269.19177	1.0
277.19342	0.6
281.19089	0.7
283.20569	1.6
285.18573	0.6
285.22141	0.9
291.21225	0.6
295.20560	0.9
297.22110	1.2
301.21588	0.8
309.22141	1.7
311.23761	1.7
313.21646	1.0
315.23148	1.8
323.23737	2.0
325.21759	0.7
325.25226	1.1
327.23502	0.7
328.20483	1.2
335.23550	1.0
337.25323	1.2
339.23117	1.1
339.34097	0.7
341.24759	1.1
349.25464	0.8
353.24725	0.8
357.24026	0.7
375.26648	0.9
383.18225	0.6
407.33130	0.8
417.31604	5.8
434.34702	0.7
435.32608	15.3
453.33585	8.3
471.34702	4.3
473.34338	1.5
491.35269	1.4
509.36255	8.1
515.18268	0.6
527.37274	100.0
528.37604	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	528.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03926	0.5
55.01852	0.4
69.03429	3.4
69.66455	1.5
71.04991	0.6
79.01840	2.8
79.05470	1.0
81.03417	4.8
85.02894	2.9
91.05474	1.0
97.02886	4.6
99.04460	1.8
101.49085	0.4
103.03919	1.0
103.05473	0.7
107.01284	1.2
107.04946	1.0
109.02873	5.4
109.82794	0.3
119.04919	1.6
125.02339	2.7
127.03912	7.2
127.45753	0.3
131.04930	1.5
133.02835	1.4
135.04388	1.2
137.05980	5.8
143.03377	3.4
143.04922	0.4
145.04936	1.0
147.04405	2.9
149.05975	1.0
151.07500	0.7
153.01817	100.0
153.02867	4.2
154.02104	1.3
160.05170	0.5
161.05922	0.7
163.07542	1.5
167.03403	0.4
167.07152	0.5
169.06462	0.8
171.02870	11.1
175.07541	1.1
177.05432	1.1
179.07018	1.9
181.06467	0.7
187.07530	0.7
191.07048	1.4
195.02866	0.6
197.05939	0.8
201.09152	0.6
203.06972	0.4
213.03868	0.6
213.09077	1.1
215.07027	1.3
217.08543	0.5
229.08592	1.2
233.08109	0.9
237.03839	0.8
241.08549	1.3
245.08081	0.9
255.04987	1.1
257.08133	1.7
259.09558	1.1
275.09213	0.6
279.04846	0.5
287.09152	2.1
289.19110	0.4
297.06046	8.3
305.10327	0.7
305.82172	0.4
315.07095	11.8
316.63699	0.4
323.11221	0.6
484.18640	1.8
528.17719	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	528.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02378	0.7
53.03936	0.8
55.01875	0.6
57.03415	0.4
63.69212	0.3
63.85201	0.3
67.12753	0.3
69.03419	3.3
73.02909	0.5
79.01841	3.7
79.05478	1.3
79.53104	0.3
81.03412	4.7
85.02895	3.6
86.04877	0.3
91.05473	0.9
97.02879	4.7
99.04439	1.5
103.03944	1.1
103.05459	0.8
105.06993	0.4
107.01315	1.7
107.04932	1.1
109.02871	5.5
109.10128	0.3
115.05465	0.6
119.04931	1.4
125.02346	3.2
127.03906	7.9
131.04904	1.9
133.02882	1.5
135.04393	1.4
137.05968	5.8
141.07028	0.8
143.03394	6.4
144.45525	0.3
145.04906	1.6
147.04405	3.1
149.05928	0.8
151.04016	0.3
151.07564	0.4
151.16138	0.3
153.01814	100.0
153.02859	4.4
154.02185	1.2
161.05934	0.6
163.07509	1.9
165.05479	0.7
167.07071	0.4
169.06483	0.7
169.12283	0.4
171.02876	9.1
171.04326	0.7
175.07532	1.0
177.05461	0.9
179.07005	2.1
181.06511	0.9
191.06982	0.8
195.02856	0.8
196.61214	0.3
197.05919	1.0
199.07591	0.5
203.06943	0.6
213.03873	0.7
215.07002	1.2
217.08519	0.6
227.07005	0.6
229.08582	0.7
233.08049	0.7
237.03937	0.4
241.08501	1.8
255.05011	1.3
257.08023	1.7
259.09872	0.5
275.09036	1.0
279.05075	0.6
287.09094	2.1
297.06027	8.4
305.10220	0.8
315.07062	12.3
316.07336	0.4
427.10074	0.5
442.17300	0.5
484.18774	1.5
521.41296	0.4
528.17609	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	528.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86739	3.2
57.03432	10.3
58.04820	3.4
65.48987	3.4
69.03416	3.7
70.33716	3.7
70.70604	7.1
73.02903	18.5
83.21469	3.6
85.02907	5.3
90.98754	3.4
91.05473	10.5
103.05463	30.5
105.07049	5.5
107.04960	21.5
115.03942	7.2
115.05463	4.5
119.04877	6.5
121.06560	5.2
122.03558	4.7
131.04916	44.5
133.06499	6.4
134.59665	3.8
135.07977	4.3
137.05951	88.3
147.04398	14.2
149.05867	3.9
151.07513	28.2
161.05969	35.1
161.09663	8.8
162.06715	3.4
163.07523	100.0
163.08876	4.9
175.07518	18.6
177.05522	6.0
177.09099	33.4
179.07053	4.3
181.08604	8.7
189.09073	23.2
197.23117	3.6
203.10645	4.0
207.08276	5.9
207.10124	36.6
219.10197	6.5
221.11720	9.0
227.10533	5.7
255.10141	5.6
266.25421	3.7
287.12762	13.0
311.12711	13.6
313.14294	18.6
322.78125	3.9
331.15335	49.5
343.15405	7.4
361.88702	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	528.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69017	1.2
53.60294	1.2
55.05503	9.8
55.15727	1.1
57.03429	6.7
57.06814	1.5
57.07072	15.1
59.04982	4.2
60.09596	1.1
63.91750	1.1
67.05489	2.7
69.03428	18.7
69.07060	61.3
71.04977	5.3
71.08625	6.9
73.06549	9.0
75.04424	1.4
81.03397	2.0
81.07054	2.0
83.08614	2.2
85.02897	14.5
85.10178	3.5
87.04459	11.7
89.06020	34.3
90.46018	1.4
93.07027	1.6
95.04965	1.5
95.08544	1.7
97.02889	16.2
98.22634	3.3
107.08593	1.8
109.02788	1.1
109.10115	2.0
111.11708	82.1
112.12001	1.5
115.03915	14.1
119.08578	1.7
121.10104	1.9
126.33363	1.1
127.03897	2.4
129.12741	100.0
130.13095	2.0
133.04953	14.8
135.11644	1.5
142.32823	1.3
145.04909	2.2
199.16898	21.1
211.17058	1.4
217.17963	31.9
483.99277	1.2
496.16428	1.4
528.24622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.0
53.03929	2.4
55.01881	8.9
55.05507	17.8
57.03218	1.5
57.03435	15.1
59.04975	2.0
64.61972	1.5
65.03929	1.4
67.05503	24.0
69.03415	3.6
69.07057	8.8
69.33009	3.4
69.33394	4.0
71.01389	1.4
71.04975	5.3
79.05486	22.7
81.03409	52.3
81.07047	31.2
83.01340	5.3
83.04973	23.3
83.08616	21.9
85.02897	13.3
85.06522	2.7
91.05473	28.4
93.07043	25.4
95.04960	24.6
95.07764	1.4
95.08057	1.6
95.08597	13.4
97.02882	3.7
97.06518	6.7
97.10206	3.7
99.04445	3.3
105.07016	19.9
107.04943	8.7
107.08585	14.6
109.06500	8.4
109.10133	3.6
111.04425	16.3
111.08083	13.4
117.06989	6.7
119.08567	16.1
121.06474	4.6
121.10135	13.5
123.08045	6.7
125.09618	3.3
128.06247	1.4
129.06976	9.2
131.08563	12.0
133.10141	9.2
135.08034	3.1
135.11688	10.8
142.07758	2.4
145.10103	13.3
147.08055	3.1
147.11665	10.0
149.09584	5.8
153.12759	7.7
155.08510	2.1
157.10085	11.3
163.11172	20.6
173.09624	3.8
175.11174	9.7
181.12213	7.3
191.10655	6.3
193.12204	31.9
209.11771	7.6
211.13274	45.9
222.83099	1.4
227.12749	18.3
238.15038	1.6
240.66182	1.5
263.55627	1.5
267.15900	23.5
283.15378	75.2
285.16949	31.5
301.16357	6.6
452.51453	1.6
457.25992	1.8
475.26874	12.9
493.27899	100.0
494.28256	3.3
511.28885	2.4
543.33093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.30888	2.3
55.01878	6.5
55.05511	21.8
57.03431	19.2
59.15753	2.3
61.83893	2.2
62.63825	2.6
67.05502	35.7
69.03431	5.3
69.07087	12.0
69.62674	9.5
71.04976	6.6
79.05484	41.5
81.03412	44.0
81.07056	39.5
83.04974	13.2
83.08618	22.4
85.02916	22.0
91.05477	30.3
93.07044	53.2
95.04964	24.3
95.08606	39.1
97.02889	7.8
97.06538	9.0
99.04467	6.8
105.07010	25.4
107.04958	13.8
107.08592	30.8
109.06500	6.3
109.10162	2.9
111.08097	9.0
113.05996	3.5
117.07014	10.5
119.08562	25.1
121.06509	7.4
121.10142	19.0
123.08069	2.9
125.05969	4.1
129.07025	7.0
131.08543	8.2
133.10110	12.3
135.11685	41.0
142.07738	2.7
145.10115	30.9
147.11688	9.7
148.80334	2.4
149.09599	6.3
157.10149	9.5
163.11171	57.2
165.12778	3.5
175.11197	12.4
181.12250	10.4
193.12254	35.4
207.09387	2.8
209.11879	3.6
211.13290	61.3
227.12761	100.0
238.52116	2.5
238.90115	2.9
244.56268	2.7
267.15839	18.9
283.15359	66.8
285.16962	91.2
296.13251	2.5
368.99307	2.7
475.26758	19.6
493.27914	60.7
494.28738	5.4
518.64661	2.9
523.47754	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	528.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
54.53902	1.3
55.01862	14.0
55.05505	28.1
55.77824	1.7
57.03431	20.1
59.04995	4.5
59.85890	1.6
60.11121	1.6
63.11797	1.6
63.73568	1.6
65.03922	3.2
67.05497	30.5
67.60117	1.6
69.03423	5.0
69.07050	9.8
70.36468	3.9
71.01344	2.2
71.04989	6.5
77.03931	2.7
77.40322	1.6
79.05489	44.4
81.03409	69.5
81.07047	36.8
83.01328	10.4
83.04971	26.9
83.08611	33.2
85.02900	21.0
89.21696	1.6
91.05472	40.7
93.07040	41.1
95.04962	29.9
95.08588	16.4
97.02881	4.3
97.06525	7.2
97.10175	3.3
99.04439	3.1
105.07027	24.5
107.04941	16.1
107.08589	13.3
109.06496	10.7
109.10181	4.4
111.04427	2.9
111.08062	13.4
115.05460	3.4
117.07012	9.3
119.08573	26.7
121.06499	4.6
121.10130	14.0
123.08053	10.1
125.06026	2.1
125.09650	2.3
129.06978	10.2
131.08589	11.9
131.09410	2.1
133.06526	3.0
133.10120	13.4
135.08034	3.0
135.11694	13.1
137.09650	3.0
142.07732	2.9
144.47986	1.7
145.10117	17.1
147.08012	4.2
147.11674	14.6
149.09634	5.0
153.12770	3.1
155.08606	2.0
157.10129	12.8
163.11163	29.0
163.12437	2.4
165.12756	3.8
173.09621	2.8
175.11176	13.7
181.12244	4.1
191.10725	3.8
193.12221	54.8
194.12514	1.8
209.11722	8.8
211.13269	87.0
227.12762	6.2
267.15933	16.7
283.15378	100.0
284.15732	1.8
285.16946	48.4
383.22141	3.0
395.08899	1.6
475.26779	13.7
486.62845	1.7
493.27936	67.4
494.28296	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	529.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01868	21.6
55.05252	2.3
55.05506	31.1
57.03434	11.4
57.07076	2.9
59.04978	1.6
65.03937	5.4
67.05498	84.8
69.03439	1.9
69.07061	48.4
69.65452	4.4
69.65804	1.6
71.01352	1.8
71.04984	6.3
77.03905	2.5
79.05487	75.4
80.05834	1.5
81.03408	17.5
81.07050	75.1
82.07396	1.7
82.89040	1.3
83.04975	17.5
83.08610	13.9
85.06541	4.5
91.05473	73.8
93.07039	76.3
95.01324	13.1
95.04955	24.1
95.08017	2.8
95.08596	39.3
97.06524	38.8
97.07009	1.0
97.10161	13.6
103.05438	3.0
105.04516	4.8
105.07020	72.0
107.04956	21.9
107.08587	39.5
109.06515	6.8
109.10145	16.0
111.08086	5.7
113.09654	2.2
117.07004	21.8
119.08575	40.2
121.06507	5.3
121.10131	14.6
123.04449	3.5
123.08046	4.3
123.11719	2.9
125.09646	3.7
128.06236	1.8
129.06996	5.5
131.08549	28.0
133.06425	1.5
133.10114	47.4
135.08078	5.5
135.11676	28.0
137.09613	4.9
139.07542	1.9
141.07028	2.9
143.08551	8.0
145.10109	27.0
147.11676	18.4
149.09583	9.5
149.13274	7.6
151.11159	3.0
155.08586	2.9
156.09082	1.3
157.10162	5.3
159.11705	16.7
161.09644	1.9
161.13242	6.8
163.11140	9.3
169.10121	5.1
171.11688	3.9
173.13281	4.2
175.11191	2.7
176.99266	3.5
177.12756	5.0
179.14288	21.9
181.12192	3.2
183.11691	2.9
185.13318	1.8
187.11122	4.2
187.14679	1.7
195.00308	5.2
195.13863	3.5
197.13257	3.8
201.12740	1.8
202.98744	1.4
205.12204	2.0
213.16573	1.4
215.17979	2.4
236.81601	1.5
237.14870	2.8
239.18016	2.2
243.47981	1.5
247.20580	4.3
255.16060	2.5
257.18979	9.5
269.17523	2.5
275.20035	100.0
276.20395	2.1
279.15875	3.4
293.21005	8.7
349.23709	3.8
363.32806	1.7
427.34268	1.4
437.29071	2.8
463.30276	2.1
511.34381	2.0
529.25452	10.5
529.35217	56.4
530.35437	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01866	2.0
55.05510	17.2
57.03423	3.6
57.07064	3.1
65.03933	2.3
67.05499	42.7
69.07063	13.3
71.04980	2.8
71.45220	1.0
79.05489	31.3
81.03405	4.5
81.07050	43.3
83.04980	2.9
83.08611	9.2
85.06534	2.2
87.04447	1.3
89.06029	1.5
91.05468	24.9
93.06443	1.7
93.07037	35.4
95.04955	8.2
95.08598	26.3
96.08951	1.1
97.06522	4.1
97.10165	2.9
98.22583	2.3
99.08112	1.1
105.04527	2.2
105.07018	23.1
107.08576	17.7
109.06528	2.4
109.10162	8.4
111.08068	3.2
117.07004	11.8
119.08578	16.2
121.10125	14.1
123.11680	3.0
125.09694	1.2
128.06227	3.0
129.07021	6.1
130.59962	1.0
131.08565	18.6
133.10133	11.4
135.08028	1.1
135.11656	7.5
139.11191	1.1
141.06940	1.4
143.08556	8.2
145.10107	14.8
147.11653	5.6
149.09570	1.6
149.13255	10.1
155.08572	4.9
157.10158	6.4
159.11681	10.1
161.13254	3.3
167.08591	1.7
169.10118	3.6
171.11694	5.2
173.13245	7.1
175.14894	2.8
181.10089	3.1
183.11655	3.1
185.13261	4.3
187.11276	1.0
187.14815	3.6
189.16270	1.4
193.12233	1.4
195.11778	2.0
195.13802	3.7
197.13284	4.2
199.14798	2.7
201.16402	1.9
209.13268	2.5
209.15208	1.1
211.14946	1.6
215.17958	1.0
223.14822	2.9
256.26379	3.0
261.22327	1.8
276.90826	1.1
311.23752	1.3
325.25153	1.0
419.33017	3.9
437.34116	10.8
455.35257	3.9
511.37802	5.5
529.38788	100.0
530.39154	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01875	1.2
55.05507	12.1
57.03434	2.9
57.07068	2.6
65.03936	1.1
67.05500	27.4
68.29191	0.7
69.07065	10.9
70.72561	0.8
71.05007	2.0
71.08595	0.8
71.18096	0.7
73.42412	0.6
79.05488	21.0
81.03417	3.2
81.07049	27.9
83.04980	2.4
83.08614	6.8
85.06541	1.7
87.04465	1.5
91.05472	18.5
93.07041	23.8
95.04955	3.7
95.08600	17.3
97.06529	2.9
97.10180	2.4
98.29343	0.6
99.08070	0.9
105.07015	14.8
107.08578	11.4
109.06530	1.6
109.10136	5.5
111.08059	1.9
115.05506	1.0
117.07009	8.1
119.08569	11.6
121.10135	7.9
123.11761	2.2
125.09650	1.2
128.06177	0.9
129.06970	6.3
130.07790	1.6
131.08562	19.3
133.10107	8.1
135.08115	0.8
135.11697	4.9
141.07024	2.2
142.07819	1.2
143.08542	7.7
145.10123	12.5
147.11693	5.3
149.09669	1.0
149.13249	4.8
155.08571	3.8
157.10135	6.9
159.11685	9.2
161.13266	3.0
163.11316	0.8
163.14874	0.8
168.09261	0.9
169.10106	4.2
171.11662	4.5
171.98997	0.8
173.13245	3.8
175.14876	2.3
181.10144	2.2
183.11758	2.5
185.13219	3.6
187.14883	2.5
189.16512	0.8
193.12308	2.0
195.11794	1.8
195.13777	1.9
197.13351	1.9
199.14828	2.1
201.16426	2.3
209.13397	1.6
211.14865	1.7
213.12865	0.8
213.16533	1.4
215.17929	1.6
223.14838	1.1
225.16536	1.4
237.16339	0.9
239.17845	1.0
243.21112	1.4
256.26440	1.7
261.22104	1.7
287.20190	0.9
297.22446	0.7
299.23706	1.4
311.23459	0.9
313.25092	1.3
325.25113	1.0
338.95300	0.8
419.33145	2.1
437.34213	10.6
455.35367	3.3
473.36304	1.5
478.26346	0.7
511.37637	4.3
529.38885	100.0
530.39252	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53382	2.8
53.03941	3.6
55.05510	26.1
57.03431	6.0
57.07092	3.5
62.55662	2.8
67.05152	6.6
67.05498	82.3
69.07058	22.0
76.09607	3.2
79.05485	62.9
80.90440	3.1
81.03444	7.5
81.07047	89.0
81.24245	3.5
83.04983	7.9
83.08624	12.6
91.05473	29.9
93.07033	64.3
95.04977	16.2
95.08595	38.7
97.06520	8.8
97.10139	5.6
99.08099	3.5
102.93506	3.2
105.04543	4.6
105.07042	22.9
107.08584	38.3
109.06552	3.4
109.10162	15.0
111.08069	7.1
117.07000	9.9
119.08518	15.7
121.10138	20.6
123.11731	4.3
131.08588	17.1
133.10141	10.4
135.08034	4.7
135.11668	18.4
143.08557	6.3
145.10091	10.2
147.11662	7.2
149.13235	26.7
157.10193	5.7
159.11694	13.0
161.13249	4.4
177.12720	4.6
187.14862	3.7
195.13794	6.0
261.22266	8.1
383.29471	3.4
437.33975	3.9
455.34451	4.5
511.37683	3.9
529.30603	6.5
529.38788	100.0
530.39294	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	530.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
56.27633	0.8
64.12199	0.8
66.92282	0.9
69.03416	3.6
79.01857	1.9
81.03406	8.6
83.64043	0.7
85.02893	4.0
86.09666	1.3
97.02886	6.8
97.10155	4.0
99.04435	1.2
107.01323	1.3
109.02846	6.8
119.04947	1.3
125.02354	3.8
125.09617	1.0
127.03916	9.4
130.05029	1.0
143.03378	4.1
143.10648	1.4
145.04990	1.6
147.04430	5.5
153.01805	100.0
154.02176	2.3
167.07059	1.5
170.53838	0.9
171.02859	14.0
181.04964	2.0
189.11183	0.9
229.71524	0.9
245.55655	0.9
286.29883	1.0
297.06046	13.4
311.44540	0.9
315.07068	9.0
315.14389	1.0
333.15414	1.4
488.14407	1.2
531.20435	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.41588	0.9
56.45934	1.0
57.46512	1.1
69.03429	3.1
70.06603	2.4
71.04998	1.6
71.41899	1.0
74.10774	0.9
74.54928	1.1
78.86932	1.0
79.01862	3.0
80.78390	1.0
81.03418	8.7
83.49619	1.0
85.02911	2.7
97.02892	7.1
107.01324	2.2
109.02875	6.2
125.02365	3.2
127.03930	5.9
132.09290	1.0
137.05988	1.9
143.03410	4.4
145.04861	1.4
151.07610	1.3
153.01816	100.0
153.02873	5.0
171.02875	11.2
181.08626	1.7
222.96132	0.9
297.06039	9.5
315.07117	9.7
333.30948	1.0
444.88031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21249	1.1
65.03915	1.7
69.03409	5.5
70.02386	2.7
70.02940	1.0
75.87297	1.1
79.05482	2.7
81.03423	3.6
81.07072	2.2
85.02907	7.2
90.05562	2.0
91.05467	5.7
94.04182	2.9
95.04963	1.3
97.02898	3.7
97.06516	1.6
98.23320	1.5
99.04491	1.8
101.07669	1.3
103.05474	3.6
105.07023	3.7
107.04943	1.4
109.02863	2.8
109.06488	1.6
119.04933	7.1
121.02840	1.6
121.06482	6.6
122.03643	5.2
123.04375	1.6
124.07619	1.4
127.03885	4.9
130.04135	1.3
131.04947	7.6
133.06516	2.2
134.03619	2.0
135.04431	1.6
137.05959	100.0
145.04930	1.9
147.04399	9.6
149.05952	17.7
151.07562	7.3
153.01831	5.3
153.06969	2.8
161.05945	12.6
162.06747	4.4
163.07504	19.1
165.06964	3.2
167.07063	3.8
168.07396	2.0
175.07538	2.0
177.05484	1.3
179.07034	11.9
181.06487	4.3
184.09737	1.9
189.05309	1.4
189.09113	2.9
191.06978	1.9
193.06595	1.9
194.07108	1.4
195.08200	1.6
202.10783	4.1
209.05959	1.6
213.09143	3.0
220.69328	1.3
221.05983	2.3
222.06760	1.5
225.09186	3.5
237.09045	2.3
241.08647	3.6
253.08652	5.6
265.08514	3.8
267.10272	2.5
271.09586	2.3
273.11160	11.5
283.09613	10.0
285.11191	18.1
297.11237	10.9
299.12775	2.2
315.06931	1.6
315.12207	11.0
328.13986	1.5
341.12387	1.3
352.17014	1.2
434.90735	1.3
444.15405	1.9
477.17474	7.0
486.16388	9.0
530.15131	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	530.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01846	1.1
55.05518	1.6
57.03419	2.5
67.45953	1.0
69.03416	4.8
70.55464	1.2
75.04465	1.5
78.04711	1.8
79.05502	9.7
81.03418	3.4
81.07050	2.1
85.02884	2.8
85.80032	1.0
87.04474	1.1
91.05472	6.7
93.07038	38.2
95.04961	4.1
97.02885	2.0
105.07050	3.0
106.04160	1.4
107.08586	5.8
109.02839	1.6
111.08051	2.2
119.08566	4.3
121.10124	41.7
121.10988	2.3
122.10425	1.1
123.04438	5.2
123.11708	1.7
124.05231	1.3
127.03893	2.4
131.08611	1.3
137.05916	1.4
139.11137	1.4
142.70714	1.2
149.09616	4.5
151.03958	1.3
153.01880	1.1
163.49632	1.1
167.07024	100.0
167.10634	11.3
199.48401	1.2
219.06279	3.3
252.83354	1.0
278.29156	1.1
293.13809	3.8
311.14810	4.6
329.16269	1.3
404.07800	1.0
443.75903	1.2
531.18152	12.0
555.32056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
53.31746	1.5
55.01863	3.4
55.05502	11.0
57.03431	3.0
59.65898	1.6
67.05497	25.0
69.03432	15.5
69.07059	12.9
71.04985	7.1
79.05493	13.5
81.03411	42.2
81.07050	87.2
83.04990	8.3
83.08603	11.2
85.02900	11.3
85.06528	4.6
91.05466	25.9
93.07035	15.6
95.04962	5.7
95.08604	16.8
97.02899	12.4
97.06522	7.3
98.23427	3.6
99.04445	4.6
99.08072	4.0
101.06050	1.8
105.07018	40.1
107.08596	15.2
108.04475	2.4
109.02875	29.7
109.06505	8.6
113.05982	2.8
119.08572	32.7
121.10130	30.1
123.08060	5.3
123.11705	36.9
127.03902	25.3
127.07558	4.4
129.07022	2.0
131.08577	3.0
133.10092	6.4
135.08029	1.7
137.13240	2.5
141.05475	2.9
145.04919	3.1
145.10167	2.2
147.11678	100.0
149.09642	1.7
161.05862	1.7
165.12746	78.5
175.11177	4.8
183.13788	22.3
193.12213	17.4
203.07063	4.2
207.06508	2.5
211.13306	10.9
229.14333	77.5
230.14589	3.2
231.06508	10.7
249.07692	5.2
253.14395	4.2
285.16858	2.6
291.16196	1.9
313.16486	3.9
319.15231	8.2
337.16412	32.7
338.16568	2.2
355.13318	2.7
355.17505	29.7
373.18542	5.8
530.33240	2.1
530.38428	2.0
531.34222	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	530.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28023	1.8
52.43880	1.7
53.03938	4.1
55.01884	3.3
55.05512	12.9
57.03436	2.2
60.53263	2.3
65.71439	2.0
67.05493	29.5
69.03425	11.5
69.07057	14.6
70.55513	3.3
71.04978	6.3
73.02934	1.7
78.60683	1.8
79.05473	15.9
81.03407	37.0
81.06564	3.7
81.07048	77.0
82.91824	1.9
83.04972	7.6
83.08605	8.6
85.02904	12.1
85.06529	4.5
91.05471	23.6
93.07043	15.2
95.04987	3.4
95.08582	13.5
95.27113	2.4
97.02885	9.9
97.06522	7.5
99.04464	5.4
99.08070	5.9
101.06027	3.3
105.07011	41.8
107.08588	13.3
109.02862	26.4
109.06519	6.4
109.10148	3.1
111.04442	2.5
111.08099	2.5
113.05991	2.1
119.08562	32.2
121.10124	27.7
123.08038	4.6
123.11691	38.8
127.03901	25.0
127.07551	4.2
133.10115	5.0
137.09592	2.2
137.13214	3.8
141.05440	3.8
141.09186	2.1
145.04973	2.4
147.11665	100.0
157.10106	4.4
165.12738	65.4
175.11165	7.0
183.13794	21.2
191.06970	2.0
193.12183	17.4
203.07091	3.2
209.45142	2.0
211.13324	9.4
229.14326	79.1
231.06531	10.5
249.07622	6.5
253.14436	4.3
267.15894	2.3
285.17004	2.4
313.16537	4.7
319.15359	7.3
337.16431	38.0
341.38760	1.9
355.17432	29.9
373.18759	5.4
402.90930	1.9
441.55136	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.4
56.14315	8.0
57.03418	19.2
57.42267	8.3
67.05502	24.6
79.05482	33.7
81.03410	90.2
81.07058	38.6
83.04979	24.2
83.08618	36.3
85.02888	22.0
91.05468	47.5
92.64234	9.2
93.07034	30.9
95.04956	49.7
95.08646	19.0
98.22562	9.5
105.07009	36.0
107.04942	8.5
107.08557	12.6
109.06474	15.1
119.08568	33.2
121.10149	9.5
129.06995	18.0
131.08557	11.7
133.10126	17.1
147.11649	24.8
149.09677	8.2
151.25285	9.0
157.10060	16.6
175.11218	18.8
193.12245	57.4
211.13251	100.0
267.15884	25.2
285.16946	92.1
312.43051	9.1
441.16354	8.5
459.27332	16.7
477.28302	10.0
479.61154	9.3
495.29425	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01875	3.6
55.05503	19.1
57.03432	20.8
59.05026	1.6
67.05494	25.1
69.03423	4.3
69.07059	8.8
69.63112	3.1
69.63509	4.6
71.04985	4.5
78.19053	2.0
79.05488	28.5
81.03407	75.3
81.06620	1.1
81.07046	30.7
83.04971	23.8
83.08608	25.3
83.88650	1.8
85.02888	26.6
85.06507	2.2
91.05468	43.8
91.10763	1.6
93.07038	18.2
95.04949	27.1
95.08598	12.5
97.02869	4.2
97.06514	4.1
97.10159	4.4
98.23472	3.2
98.26394	1.5
105.07010	28.9
107.04953	11.6
107.08595	8.4
109.06505	8.0
109.10167	3.0
111.04396	1.6
111.08060	12.4
113.06012	2.4
115.05444	1.8
119.08569	23.4
121.06442	2.6
121.10154	10.2
123.08041	3.4
123.11684	2.5
125.09626	2.1
129.06982	15.6
131.08556	13.3
133.06471	2.8
133.10100	15.6
137.09589	2.5
142.07773	4.5
145.10178	3.3
147.08067	3.8
147.11667	19.9
149.09616	7.8
157.10114	15.6
165.12741	3.8
175.11169	21.7
178.46756	2.0
183.91176	1.7
193.12204	71.7
211.13263	100.0
216.03275	1.5
267.15842	27.7
268.16403	2.1
279.12830	1.6
285.16925	84.2
325.10654	2.4
332.61765	2.0
398.38327	1.8
403.24112	1.8
437.65347	1.8
459.27646	8.8
477.28455	12.2
483.64044	2.1
495.29428	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01870	2.7
55.05507	25.2
57.03434	17.5
67.05502	34.5
69.03436	5.8
69.07063	8.6
69.12646	5.5
69.13059	9.7
71.04985	4.0
79.05492	32.8
81.03413	97.6
81.07053	41.2
81.07504	3.7
83.04973	21.5
83.08620	37.3
85.02902	36.0
91.05476	44.4
93.07044	27.3
95.04964	37.0
95.08588	16.2
97.02876	5.5
97.06528	7.6
97.10190	4.3
105.07014	34.0
107.04955	9.6
107.08570	11.4
109.06506	7.2
109.10139	5.7
110.12318	2.3
111.08070	12.3
113.06023	2.6
117.07084	2.1
119.08569	27.3
121.10165	15.3
123.08084	5.8
123.11693	4.1
127.03911	3.7
129.06969	16.4
131.08575	14.6
133.06477	3.3
133.10118	14.5
137.09584	3.6
139.57689	2.1
142.07742	4.6
145.10101	5.6
147.08105	4.5
147.11687	28.5
149.09601	12.5
157.10165	23.0
160.62558	2.2
165.12727	9.2
175.11143	21.6
183.13756	2.7
193.12234	70.3
211.13277	100.0
212.13626	4.4
229.14203	4.6
267.15909	26.0
285.16946	91.6
337.16397	3.1
459.27280	10.5
477.28458	17.0
495.29477	63.1
496.30008	4.1
500.36191	2.4
530.32190	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01859	7.7
55.05255	2.5
55.05510	41.5
57.03423	17.7
57.07050	3.1
59.04974	2.5
65.03930	3.7
65.31778	1.7
67.05501	100.0
68.05827	2.7
69.03411	3.6
69.07064	21.6
71.01339	1.7
71.04977	6.4
71.08602	2.0
73.02901	6.7
74.32610	1.8
79.05486	48.6
81.03407	14.9
81.07051	79.9
82.07375	2.6
83.04977	12.6
83.08611	21.3
85.02892	11.3
85.06536	4.7
87.04478	8.2
91.05469	35.8
93.07038	48.8
95.04965	13.4
95.08602	27.4
97.06511	10.4
97.10171	12.9
105.04510	2.9
105.07017	14.5
107.04943	5.6
107.08580	35.4
109.06494	3.7
109.10150	43.2
111.08091	9.4
117.07019	13.2
119.08574	8.6
121.06523	3.5
121.10137	13.5
123.08043	2.6
123.11694	5.3
125.09623	17.4
129.05472	6.2
129.07022	4.3
131.08525	11.0
132.26949	1.8
133.10127	21.0
135.08031	3.3
135.11687	10.4
137.09656	3.5
143.10632	2.9
145.10118	5.1
147.11674	2.7
149.09566	2.6
149.13251	20.4
150.95248	1.7
151.11131	2.0
153.12727	2.1
157.69107	2.0
159.10492	1.7
159.11659	8.3
163.11151	9.3
165.12814	1.8
173.09651	2.2
173.11725	12.5
177.12704	3.7
181.12230	2.5
191.10703	2.5
193.12178	2.6
195.13785	20.0
199.13306	9.8
209.11676	2.8
213.14832	2.5
227.12730	5.5
229.14339	46.9
257.13724	2.3
267.15863	5.4
269.17453	54.2
270.17886	2.7
301.16525	10.2
318.92114	1.8
353.78046	1.9
384.16562	1.8
393.26337	2.0
411.27164	4.8
423.27325	16.7
495.29407	19.0
513.30499	11.2
530.30585	4.7
530.38470	6.5
531.36157	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06665	3.2
53.03935	8.0
53.96901	3.0
55.01870	17.4
55.05505	38.8
57.03431	29.3
57.07058	4.2
67.05495	100.0
67.05860	5.0
69.03397	3.9
69.07056	24.7
71.04971	6.2
73.72667	3.0
79.05048	5.1
79.05489	63.7
81.03407	23.1
81.07048	99.4
82.04187	4.9
83.04970	21.4
83.08620	25.7
84.02117	3.4
85.02919	3.8
85.06534	7.2
87.04459	4.9
91.05476	40.5
93.07031	66.8
95.04968	24.3
95.08599	33.1
97.06546	18.0
97.10155	14.7
98.07280	6.5
99.08043	4.2
105.07020	15.2
107.04950	6.3
107.08589	42.7
109.06494	7.4
109.10139	11.7
111.04432	5.3
111.08067	9.9
116.04703	13.9
117.06989	12.8
119.08571	14.6
121.06470	4.9
121.10104	25.7
123.08058	10.6
125.09614	20.2
129.05450	30.8
129.06946	6.4
131.08545	13.5
133.10126	17.3
135.08023	6.1
135.11687	17.3
143.07065	10.4
145.10109	9.6
147.11647	9.0
149.13257	33.1
153.09099	3.8
157.08580	15.4
157.09976	7.2
159.11693	12.1
163.11263	8.0
171.06464	5.7
177.12750	8.4
181.12317	5.6
189.11221	4.6
193.12274	5.6
195.13756	17.2
199.13205	4.5
209.11798	7.8
210.12494	3.5
227.12743	12.7
241.74246	3.5
255.15807	5.1
267.15887	7.8
269.17450	88.0
283.15417	9.4
301.16425	73.9
357.40302	3.2
365.70789	3.5
459.27002	3.9
461.28900	4.0
477.28409	19.1
478.29004	14.7
495.29401	96.5
530.22583	4.2
530.35144	13.2
531.29102	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40054	3.7
53.03940	6.9
55.01866	13.6
55.05507	43.0
57.03428	25.5
65.03936	5.6
67.05495	80.3
67.88792	4.1
69.03425	4.9
69.07053	34.6
71.04981	10.0
71.42731	6.0
73.02901	4.5
79.05483	73.6
81.03410	26.4
81.07047	100.0
81.07504	7.0
82.07397	4.0
83.04978	17.4
83.08598	26.5
85.02943	3.9
85.06531	4.6
90.95711	3.5
91.05466	48.3
93.07034	71.4
95.04953	25.9
95.08582	35.1
97.06517	11.5
97.10160	12.9
98.07323	4.1
105.07011	27.3
107.04952	16.0
107.08569	40.4
109.06522	9.2
109.10148	23.0
111.08057	7.2
116.04706	5.8
117.07026	21.7
119.08545	21.7
121.06491	4.5
121.10095	22.1
123.11700	5.2
125.09679	11.3
125.38136	3.8
129.05457	18.6
129.06932	8.2
131.08540	14.4
133.10120	26.4
135.08061	5.2
135.11681	20.3
137.09622	4.2
141.22559	3.6
145.10094	10.7
147.11694	6.9
149.09593	5.7
149.13245	20.3
151.11218	4.5
157.08604	6.1
157.10019	4.3
159.11670	16.3
163.11151	18.6
171.10278	5.7
171.11859	3.7
173.11809	6.6
175.52321	3.4
177.12685	5.3
191.10748	4.1
193.12213	8.3
195.13733	17.4
198.45448	3.7
199.13280	13.1
209.11716	9.8
211.13354	4.6
227.12785	10.4
269.17447	69.4
275.61615	3.6
283.15347	6.6
301.16370	40.8
327.45688	4.1
411.27188	5.7
423.27258	9.9
477.28339	14.9
495.29346	66.0
530.35413	7.2
531.29095	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	530.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67101	1.7
55.05503	14.3
57.03442	9.7
57.07081	2.1
65.03923	1.7
67.05499	73.5
68.05840	2.3
69.03403	2.5
69.07063	18.4
69.72607	3.4
71.04983	22.1
79.05484	26.3
80.08415	1.8
81.03372	2.2
81.07050	100.0
83.04980	3.8
83.08607	10.8
85.06525	8.3
91.05477	19.8
93.00565	1.9
93.07039	42.3
95.04955	5.4
95.08603	14.9
97.06528	11.7
97.10146	3.4
98.22699	2.3
104.10699	2.5
105.07020	9.1
107.08582	21.6
109.06458	2.3
109.10132	8.8
111.08065	6.5
117.07008	5.0
119.08622	2.9
121.06466	2.1
121.10136	13.7
123.11671	11.4
131.08549	6.6
133.10094	13.3
135.11679	7.7
149.13229	22.0
151.11160	5.5
159.11653	9.3
177.12706	3.7
177.43649	2.1
183.13805	2.8
187.13292	4.3
195.13776	10.4
201.14903	1.8
213.14867	3.2
227.12904	1.9
269.17441	31.7
301.20041	16.7
423.27136	3.1
437.28958	70.9
438.29333	3.1
450.11020	2.1
451.30673	13.9
463.30447	55.6
495.33170	26.2
530.32404	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	531.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40580	5.9
56.72524	7.3
67.05475	7.7
68.14661	5.5
69.22379	37.6
70.06573	6.8
74.35023	5.9
75.66656	5.3
91.05457	10.5
93.07026	16.0
94.57511	6.3
97.06494	5.7
98.61972	6.3
105.07017	12.0
107.08569	8.0
119.08568	10.6
121.10206	11.9
137.06003	9.5
174.28583	6.0
417.12433	13.6
435.13309	10.2
531.16302	100.0
531.25598	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	531.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73859	1.0
134.58949	0.7
203.44670	0.6
239.08734	0.7
317.08127	0.6
399.12482	1.3
432.66858	0.6
531.16809	100.0
532.17334	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	531.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87427	0.5
84.57880	0.4
84.83850	0.4
85.02930	0.5
91.05470	0.7
93.07037	1.9
94.07381	0.7
102.56086	0.4
105.01942	0.4
107.08627	0.8
121.10143	1.9
131.04938	1.0
137.65521	0.4
167.06998	3.2
168.07416	1.7
185.05708	2.2
219.06270	39.8
220.06639	0.8
307.86423	0.5
335.10901	4.8
531.18359	100.0
532.18701	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2564
Annotation	Roridin D
Peak:m/z	Relative Intensity
54.61562	0.4
55.01857	0.6
55.05514	1.5
57.03427	1.1
59.89930	0.4
62.40883	0.4
66.27589	0.4
67.05514	2.7
67.05800	0.5
69.03427	0.5
69.07055	0.8
71.04990	0.6
75.04651	0.5
76.96120	0.5
79.05485	2.3
81.03413	1.2
81.07050	2.6
83.01356	0.5
83.04971	1.4
83.08626	1.0
83.34886	0.4
91.05470	2.8
93.07053	3.2
95.04975	0.7
95.08598	1.3
105.07031	1.6
107.04980	1.0
107.08562	0.9
109.06512	0.5
109.10173	1.1
117.06995	0.7
119.08564	1.5
121.10110	0.4
123.08090	1.0
125.09611	0.5
131.08578	0.8
133.10110	0.6
135.11690	1.5
145.10143	1.5
145.74638	0.4
147.11685	0.5
163.11203	2.3
197.96553	0.4
209.11620	0.6
249.10966	8.4
283.15356	2.1
305.13580	10.8
382.53448	0.4
438.25797	0.8
465.28946	0.4
478.28632	0.6
496.29910	0.6
515.30383	0.7
531.25592	100.0
532.25812	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	531.2928
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
51.63544	0.5
52.36898	0.5
53.83448	0.6
55.05502	0.9
57.03428	1.2
61.37113	0.5
67.05490	2.2
69.07042	0.7
69.32291	3.0
71.04981	0.7
79.05476	3.4
81.03413	1.5
81.07040	2.4
83.08601	0.9
85.02902	1.6
91.05455	2.9
93.07025	2.4
95.04967	1.0
95.08607	1.2
99.21478	0.5
105.07060	2.7
107.04980	0.8
107.08598	1.2
109.10174	0.9
117.06986	0.5
119.08585	1.4
121.10171	0.9
129.07004	1.7
131.08546	1.0
133.10100	1.0
145.10085	0.7
147.11650	1.0
187.74762	0.5
247.13014	10.4
251.12556	1.7
266.79944	0.6
295.71332	0.7
303.15628	3.2
307.15106	5.4
470.99750	0.6
513.35712	0.7
531.29248	100.0
532.29425	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	531.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.2
53.03943	2.6
55.01870	5.2
55.05503	41.1
57.03435	20.4
57.07074	5.7
65.03915	5.0
67.05499	91.1
67.88525	2.5
68.65991	2.2
69.03443	2.9
69.07061	27.8
71.01340	3.4
71.04996	7.0
72.06635	2.1
73.66309	2.0
79.05486	74.1
81.03412	4.3
81.07050	76.1
83.04988	9.5
83.08620	17.2
85.06538	6.2
91.05470	70.6
93.06444	4.4
93.07035	76.1
93.57032	2.1
93.72138	1.9
95.04977	9.9
95.08598	49.3
97.06520	10.3
97.10142	16.3
98.23454	4.9
99.08104	2.2
101.05990	1.7
103.05394	2.1
105.04521	3.6
105.07019	69.5
107.04956	2.5
107.08584	55.8
109.06551	6.3
109.10165	22.9
111.08082	5.3
117.06999	28.7
119.08572	60.5
121.06505	4.4
121.10126	29.8
123.08074	3.8
123.11732	4.0
125.09636	4.4
128.06256	4.6
129.06984	20.1
130.07797	3.8
131.08557	45.6
133.10120	46.7
135.11682	50.3
135.12651	4.1
137.09616	3.8
141.07014	7.0
142.07817	3.2
143.08562	26.1
145.10115	55.6
145.11229	3.8
147.11676	39.6
149.09581	3.3
149.13242	11.9
151.11171	4.0
155.08508	13.9
157.10120	29.1
159.08081	2.2
159.11685	38.6
161.09607	3.8
161.13249	32.7
163.11189	8.0
163.14851	5.1
167.08646	2.6
169.10147	10.9
170.10829	3.1
171.11668	29.8
173.13255	34.5
175.14774	11.5
181.10115	7.4
181.12251	9.4
183.11700	11.7
184.12511	2.2
185.13248	24.0
187.14781	15.0
189.16440	3.3
195.11725	7.3
197.13231	12.2
199.13229	3.7
199.14845	13.3
201.16336	4.2
207.11668	2.1
209.13324	6.4
211.14806	5.6
213.16479	6.0
215.17938	2.9
221.13269	5.3
223.14880	4.7
225.16447	3.0
227.18002	2.4
231.21068	2.9
241.19470	26.3
243.21080	3.0
253.14323	7.5
255.15912	44.0
259.20544	55.1
261.22131	9.3
268.15128	2.4
269.18704	2.5
271.20511	2.2
277.21460	2.9
285.22113	4.2
289.21655	2.7
297.22141	3.7
301.21732	3.7
309.21985	2.8
311.23630	2.4
314.63983	2.8
315.23187	5.1
323.23862	3.3
327.23148	3.2
331.22827	2.3
333.24200	20.4
393.31323	7.2
403.29855	8.5
409.31046	5.0
411.32336	10.7
421.31055	25.4
422.31085	3.3
427.32031	2.8
439.31989	23.3
450.30814	2.6
457.33313	20.4
465.85638	2.5
485.36090	6.1
495.34470	6.8
501.35425	7.1
503.37250	31.9
506.25269	2.4
510.57068	2.6
513.35712	100.0
514.35907	7.3
531.36823	43.5
532.36908	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	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01884	6.4
55.05509	43.8
57.03432	16.9
57.07076	4.3
61.13116	2.4
65.03924	4.6
67.05501	100.0
69.03467	2.3
69.07064	34.1
69.12630	2.1
69.63123	8.8
71.04980	10.7
71.08642	2.9
79.05485	71.8
81.03407	4.7
81.07053	80.0
83.04984	9.4
83.08603	13.6
85.06539	8.8
87.04474	2.7
91.05476	75.9
93.06447	4.4
93.07038	85.6
95.04960	13.8
95.08597	48.5
97.06519	9.3
97.10149	15.5
98.22691	2.5
99.08083	5.4
103.05471	2.9
105.04485	2.8
105.07021	62.2
107.04926	5.2
107.08588	60.0
107.09185	1.3
109.06524	5.5
109.10158	25.8
109.12965	2.4
115.05440	5.9
115.72777	2.3
117.07010	27.7
119.07741	4.0
119.08573	58.4
121.06497	3.1
121.10151	30.1
123.08073	4.1
123.11702	5.2
125.09628	6.2
128.06247	6.5
129.06992	19.5
131.08562	49.2
133.06416	2.2
133.10127	55.1
135.11673	39.6
137.09598	5.5
141.07021	4.1
142.07761	6.9
143.08539	30.2
144.52586	2.2
145.10109	57.9
147.08043	2.5
147.11668	43.6
149.09535	3.8
149.13242	10.4
151.11197	6.1
155.08565	12.2
156.09328	3.4
157.10104	32.0
159.11688	43.0
161.09637	4.4
161.13237	28.2
163.11177	9.5
163.14880	2.7
167.08583	5.8
169.10095	14.4
171.11665	27.5
173.13248	23.9
175.14813	12.7
177.12750	3.9
181.10172	7.0
181.12212	9.9
183.11674	14.0
185.13205	23.8
187.11208	2.8
187.14812	16.4
189.12703	3.7
193.10124	2.7
195.11708	7.7
197.13303	13.4
199.14818	15.8
209.13239	4.4
211.14787	6.5
213.16353	3.2
221.13393	3.2
223.14803	4.3
225.16357	4.2
231.17345	3.2
231.21144	7.0
237.16444	4.1
241.19478	21.8
253.14346	9.1
255.15854	38.8
257.18915	3.7
259.20554	50.7
265.19373	3.4
269.18994	3.2
277.21649	3.5
285.22040	5.1
297.22150	3.9
301.21860	2.4
303.23193	4.2
311.23730	2.7
315.23306	7.1
327.23132	4.1
333.24207	30.0
384.13516	2.6
393.31363	4.3
403.29770	4.3
406.49982	2.6
409.31046	6.5
411.32523	12.8
421.30933	29.1
429.33469	4.6
439.32150	26.4
457.33072	18.7
485.35913	7.7
486.09152	2.9
495.34543	9.0
501.35840	4.7
503.37292	39.6
513.35736	95.8
514.35626	5.1
531.28760	17.4
531.36737	61.4
532.36737	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	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
53.03937	2.7
55.01860	5.9
55.05501	25.5
57.03429	11.0
57.07071	11.4
57.94779	1.4
65.03947	2.4
67.05496	57.1
69.07059	22.9
69.29349	7.1
71.04978	4.8
71.08612	1.9
77.03918	3.4
77.15688	1.5
79.05482	46.6
81.03390	1.8
81.07048	57.3
83.04967	5.1
83.08618	11.3
83.17776	1.5
85.06544	3.6
87.04459	100.0
88.04795	13.7
91.05470	50.8
92.05796	1.9
92.38435	1.4
93.07032	52.6
95.04964	8.7
95.08594	37.9
97.05880	1.7
97.06487	7.8
97.10152	7.7
105.00098	3.8
105.04552	1.8
105.07015	51.6
107.04921	1.6
107.08585	35.5
109.06502	2.1
109.10158	17.5
111.08062	2.7
115.05383	2.9
116.06241	1.9
117.07003	18.2
119.08566	42.2
119.09416	2.3
121.06480	6.1
121.10126	15.5
123.08050	2.7
123.11698	2.4
125.09641	4.2
128.06204	2.9
129.06998	12.1
130.07764	1.7
131.07072	1.7
131.08554	38.1
133.10110	34.9
135.08028	2.1
135.11682	30.0
137.09566	1.9
141.06969	4.1
142.07771	3.9
143.08557	19.7
145.06378	1.9
145.10109	33.9
147.08084	2.3
147.11665	28.2
149.09486	1.4
149.13264	7.3
151.11147	3.7
155.08542	7.8
156.09354	1.7
157.10104	18.2
158.10843	1.6
159.08081	2.0
159.11687	28.5
161.09679	1.9
161.13235	18.6
163.11153	6.1
163.14883	1.8
167.08598	2.0
169.10106	10.4
171.10347	2.2
171.11693	21.0
173.13257	17.0
175.11156	2.8
175.14815	9.6
181.10129	5.5
181.12230	6.1
183.11615	9.6
185.09540	1.6
185.13219	16.3
187.11282	1.5
187.14809	10.0
189.12643	1.6
189.16367	2.1
190.86723	1.4
193.10182	1.9
195.11716	4.0
197.13264	10.3
199.14807	9.3
201.16373	2.0
207.11624	1.9
209.13368	2.2
211.14812	4.7
213.16382	4.8
215.17798	3.0
223.14796	2.5
225.16431	2.3
227.17935	1.9
231.21022	3.8
237.16409	2.7
241.19504	16.1
253.14325	4.6
255.15794	17.0
256.26343	2.8
257.19052	2.8
257.26675	3.3
259.20538	32.1
261.18155	1.9
261.22098	2.0
267.21036	2.2
269.18973	2.7
269.29929	1.7
271.20428	1.4
275.02252	1.7
275.20081	2.2
277.21634	3.1
278.21976	1.6
285.22095	5.1
287.23596	2.0
289.78217	1.5
297.22052	2.9
303.35196	1.4
309.22037	2.5
315.23102	4.2
327.23083	1.6
333.24347	9.1
393.31705	2.0
403.30103	3.5
409.31003	4.5
411.32605	8.4
421.30954	16.0
429.33527	2.1
439.31970	16.1
457.32956	13.9
485.36014	3.5
495.34454	4.2
501.35461	3.5
503.37296	20.4
513.35687	60.7
514.35846	4.6
531.37048	38.1
532.37286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47964	0.8
69.03442	3.9
69.07067	1.2
69.41230	1.4
69.41628	3.8
71.04992	10.2
72.29430	0.8
73.06550	4.3
79.01855	1.8
79.05493	2.7
81.03416	4.8
81.07049	6.8
85.02905	3.9
85.06554	1.9
91.05436	0.8
93.07051	4.4
93.10530	0.8
94.36793	1.0
95.08588	2.7
97.02891	2.5
97.06532	6.8
99.08096	11.3
105.07021	2.1
107.08597	2.6
107.52374	0.7
109.02876	4.6
109.06559	1.0
111.08092	1.2
114.69270	0.8
119.08599	1.4
121.10088	1.4
123.11715	1.9
125.02343	3.0
127.03876	5.7
127.07560	4.8
135.11763	1.0
137.13255	3.0
140.29633	0.8
143.03371	4.1
147.11710	3.3
153.01819	100.0
154.02090	1.1
165.12764	5.3
171.02898	12.5
175.50980	0.8
183.02919	1.1
183.13802	41.3
219.10243	1.6
239.26016	0.8
297.05939	5.2
315.07086	25.9
335.47336	0.9
339.27322	0.9
353.10345	1.1
371.11508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10688	1.7
50.42349	2.0
53.03934	3.5
55.01859	4.1
55.05513	18.3
57.02364	2.3
57.03435	14.6
59.04990	5.8
65.03920	4.0
67.05502	100.0
67.05866	4.7
69.03419	7.6
69.07056	11.7
71.04992	38.0
79.05488	35.2
81.02953	3.7
81.03413	48.0
81.07055	37.5
82.07396	2.1
83.04974	17.1
83.08620	16.9
83.49384	2.2
85.02902	21.6
85.06548	5.2
91.04932	3.7
91.05473	43.4
93.07041	33.3
95.04971	21.3
95.08603	18.8
97.02869	2.4
97.06507	8.1
97.10145	3.2
98.23473	6.6
99.08086	2.4
105.07021	25.1
107.04948	10.0
107.08585	16.5
109.06551	6.1
109.10150	68.2
111.08066	8.6
112.68652	2.0
115.05375	3.4
117.07056	3.2
119.08570	26.8
121.09325	2.2
121.10106	10.7
123.08050	5.2
125.09612	2.2
129.07011	9.2
131.08534	12.1
133.10129	11.5
135.11690	13.6
137.09572	11.6
138.01758	1.9
145.10114	5.5
147.11690	12.2
149.09616	6.3
155.10654	3.6
157.10074	10.2
158.10497	1.8
163.11156	5.9
169.12254	2.5
173.11742	9.3
175.11197	8.5
181.12242	6.2
187.13278	3.7
193.12225	32.0
205.82726	2.5
211.13284	53.5
214.21104	2.0
229.14307	3.8
243.15865	6.7
255.15863	11.6
267.15924	20.1
271.15424	2.2
275.68549	2.1
285.16946	34.0
286.17239	2.6
287.18530	43.8
334.07242	2.1
335.91415	2.0
421.25760	32.2
439.26868	98.9
440.26944	3.8
447.27533	11.3
453.28561	11.8
465.28421	23.3
479.29602	3.3
497.31030	31.0
533.27051	8.2
534.06842	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	533.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12071	0.5
70.48152	0.9
77.91102	0.4
95.01103	0.8
98.22911	0.7
104.45029	0.5
113.02108	1.3
155.03131	4.6
171.02652	0.9
173.04216	0.6
173.33635	0.4
181.82767	0.4
185.05809	0.7
189.05232	1.5
200.70329	0.4
204.07579	5.8
205.08168	0.7
259.89743	0.4
265.99106	0.4
335.64316	0.6
401.15619	0.9
434.09857	0.4
465.11636	0.5
476.92621	0.5
533.19897	100.0
534.20367	4.6
550.85803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69223	0.3
67.05492	0.8
69.03397	0.7
71.43266	0.3
75.14256	0.3
79.05500	0.5
80.78520	0.3
81.07050	1.1
85.02916	0.9
91.05493	0.5
93.07060	0.8
95.08576	0.7
97.02905	0.4
104.05514	0.3
105.07043	0.7
107.08575	0.8
117.71412	0.5
119.08600	0.5
121.10158	0.6
133.10172	0.6
137.06041	0.4
149.44655	0.4
153.01825	1.4
158.63954	0.3
179.81699	0.3
313.16141	0.7
317.08411	0.8
324.76434	0.3
327.05081	0.3
335.09485	1.8
357.25421	0.4
421.25668	0.7
445.20413	23.2
446.20850	0.6
533.25659	100.0
534.25970	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	533.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28939	0.4
51.15123	0.5
55.01885	0.4
55.05515	1.5
57.03430	0.8
60.08154	0.8
61.66999	0.5
67.05501	2.7
69.03428	0.6
69.07056	1.1
71.07361	0.5
79.05489	3.2
81.03423	1.9
81.07042	3.4
83.04974	0.7
83.08611	1.4
85.02908	2.1
86.05362	0.6
86.09698	3.4
88.47470	0.5
91.05467	3.0
93.07044	2.7
95.04980	1.9
95.08611	2.1
99.83871	0.5
104.10715	2.9
105.07022	2.2
107.04956	1.3
107.08604	1.4
109.06522	0.6
109.10161	0.6
109.56609	0.5
111.08036	0.5
117.07034	0.7
119.08598	1.4
121.10139	1.3
125.00026	1.4
125.09601	0.5
129.07019	1.1
131.08545	0.9
133.10129	0.8
135.11703	1.1
140.05176	0.4
145.10121	1.5
147.11685	1.0
149.09627	0.5
157.10217	0.9
163.11221	1.9
180.33691	0.5
184.07336	8.0
190.99130	0.6
193.12352	0.9
227.12764	0.9
249.10956	22.4
250.11412	0.6
251.12531	0.7
285.16879	0.5
286.85867	0.5
305.13525	6.8
307.15100	1.3
438.16068	0.6
533.27161	100.0
534.27203	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	533.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
55.05505	1.0
57.03437	1.2
65.03939	0.3
66.81183	0.2
67.05494	2.2
69.07059	0.7
71.05000	0.4
75.30907	0.3
79.05490	2.1
79.27694	0.2
81.03409	1.9
81.07047	2.2
83.04971	0.8
83.08615	1.0
85.02897	1.0
85.06533	0.3
86.09703	0.9
91.05469	2.1
93.07038	1.9
95.04967	1.4
95.08607	0.9
97.06525	0.5
104.10725	1.5
105.07043	1.4
106.17564	0.2
107.04963	0.8
107.08623	0.8
109.06525	0.4
109.10147	0.7
111.08092	0.4
119.08611	1.4
121.10125	0.8
125.00003	0.4
129.07018	0.4
131.08580	0.6
133.10143	0.7
135.11696	0.6
136.12061	0.3
145.10139	0.9
147.11713	0.5
157.10092	0.3
163.11172	0.7
175.11311	0.3
184.07271	1.1
193.12280	0.7
201.60172	0.2
209.11777	0.3
211.13263	0.4
249.10968	3.1
251.12512	6.7
251.14973	0.5
283.15445	1.0
285.16971	0.7
305.13641	3.3
307.15085	5.8
422.25647	0.3
440.27036	0.5
456.07266	0.3
456.14566	0.3
462.29248	0.4
533.27155	100.0
534.27209	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	534.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60698	0.5
55.01846	0.9
57.07073	4.3
57.35599	0.6
59.04987	2.3
67.05486	3.4
69.03404	2.0
69.07065	2.9
69.95604	1.1
69.95947	0.7
70.02929	3.6
72.04505	10.2
73.02909	2.5
74.02426	1.0
77.34298	0.5
79.01842	2.0
81.03396	4.2
81.07043	0.7
83.04960	1.5
85.02876	1.3
85.06534	6.3
86.09701	0.9
87.08076	1.6
89.30821	0.6
90.05544	68.7
95.04949	3.8
96.08107	1.3
97.02861	3.2
98.02403	9.6
100.03963	2.1
103.07565	4.9
107.01319	1.5
109.02849	2.2
112.07583	0.6
113.05983	2.2
116.03439	10.7
124.07573	12.8
124.46637	0.7
125.02332	1.6
127.03902	3.2
131.06982	1.0
137.05991	0.8
142.08617	6.3
143.03368	3.4
153.01807	46.8
153.02873	2.0
154.02130	0.9
156.10144	0.9
160.09666	1.3
166.08582	2.0
168.19022	0.7
171.02840	3.7
174.11288	1.3
184.08051	0.8
184.09671	14.6
191.05777	0.5
202.10719	24.9
220.11765	100.0
221.12067	1.8
234.54701	0.6
245.49263	0.6
245.91621	0.6
297.05994	2.3
315.07104	2.4
435.72293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
56.05031	0.9
58.06367	0.2
58.06615	0.6
60.08155	6.8
63.41372	0.2
67.05495	0.7
69.07072	0.3
70.08932	0.7
70.55254	0.2
71.07365	3.4
71.94844	0.2
74.19480	0.2
79.05483	0.6
81.07039	0.6
82.53517	0.2
86.09695	32.0
87.10010	0.3
91.05476	0.7
93.07025	0.8
95.04970	0.6
95.08588	0.3
98.22668	0.4
98.98450	3.3
104.10732	3.3
105.06965	0.3
107.08597	0.3
109.10162	0.3
119.08598	0.4
121.10115	0.2
124.99989	22.4
143.01074	0.4
181.03893	0.2
184.07318	100.0
185.07692	0.7
227.12860	0.2
251.12453	0.6
258.11087	0.3
498.29880	0.6
516.30688	3.5
534.27271	0.7
535.28607	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	23.8
69.03423	36.1
69.07055	16.7
72.46577	13.1
73.42954	18.1
75.03709	12.1
78.99242	14.3
81.07047	78.1
85.02882	40.1
87.04472	32.7
87.60909	14.4
91.28677	18.1
93.07015	38.0
95.08595	39.3
97.02856	22.0
107.08582	35.4
109.10136	40.4
115.03923	49.8
121.10121	100.0
123.11662	18.7
133.04970	41.9
149.13219	17.4
170.40082	14.2
177.05521	27.6
184.07333	32.0
444.32211	18.4
535.28448	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	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
54.11714	3.1
55.05500	19.9
57.03419	3.2
57.07061	12.0
59.10161	2.9
62.91420	4.1
63.83243	2.8
65.03948	4.0
67.05159	6.0
67.05500	90.2
69.03417	12.1
69.07063	25.8
69.20549	19.8
71.08621	8.5
73.02937	3.6
79.05486	28.7
81.03409	12.3
81.07052	100.0
83.08618	21.8
85.02897	13.5
91.05476	21.1
93.07030	35.8
95.04939	6.6
95.08595	71.7
97.02879	9.1
97.06537	5.4
97.10154	12.2
98.22953	15.8
99.08106	4.5
104.10725	3.6
105.07032	22.6
107.08575	19.6
109.06542	4.0
109.10133	36.9
109.62442	3.0
111.08096	3.5
111.11712	3.5
117.07004	7.0
119.08565	14.9
121.10143	14.8
123.11692	15.3
127.03901	4.8
131.08559	8.2
133.10123	14.8
135.11702	13.1
137.13214	7.6
141.12750	4.2
142.25491	3.4
145.04935	4.0
145.10204	5.3
147.11710	13.7
149.13260	10.5
151.14737	4.8
159.11595	4.2
161.13220	11.6
163.14766	7.4
165.16493	4.1
175.14798	7.0
177.03377	4.0
179.18108	3.9
187.14946	5.6
189.99525	3.5
221.60858	3.4
245.22650	30.8
246.84009	3.2
263.23685	50.5
275.23782	3.3
301.17996	3.6
305.24863	4.8
306.81253	3.4
313.04169	4.6
317.24707	6.0
337.27399	19.0
347.25861	4.0
353.24841	8.0
371.25647	20.7
389.26697	16.0
407.27783	18.8
425.28876	7.0
463.26566	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.8
57.03435	6.3
57.07069	11.2
60.08160	5.7
62.73671	3.1
67.05497	62.4
69.07077	18.0
73.02951	5.1
79.05479	21.5
81.07052	82.3
82.31295	3.3
83.08606	20.7
86.09695	26.2
91.05466	18.9
93.07031	19.6
95.04955	3.7
95.08596	66.3
97.06524	6.9
97.10174	9.8
104.10730	100.0
105.07028	8.4
107.08570	18.6
109.10163	31.5
111.08056	4.6
117.95286	3.3
119.08560	12.0
121.10174	16.3
123.08116	3.5
123.11676	18.3
125.00000	5.6
133.10146	11.2
135.11694	10.0
147.11716	7.9
149.13266	9.7
151.14806	7.4
161.13222	10.4
163.14803	11.9
163.57034	2.9
165.16367	10.1
175.14806	7.5
179.17953	3.9
184.07298	29.8
189.16376	4.4
229.09348	3.9
245.22635	46.5
263.23660	51.8
299.73050	4.9
337.27350	50.0
357.46225	4.1
397.36826	3.7
413.08463	3.6
475.21927	20.4
480.25256	3.9
510.91748	4.0
534.29395	6.9
534.36951	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	535.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49129	0.8
56.96555	10.3
60.62334	0.7
69.03424	0.8
71.41912	0.7
73.04758	1.0
81.03413	1.1
84.96030	4.3
91.05798	1.7
98.97571	48.8
100.99168	1.0
110.97561	2.7
112.99119	9.5
116.98605	26.2
116.99401	1.5
128.98590	4.8
131.00166	11.7
134.99638	8.5
141.09029	0.9
143.00168	1.8
144.98032	0.9
146.99658	2.3
149.01190	8.1
153.01781	1.0
153.98141	0.9
158.99646	8.8
161.01196	5.7
163.03891	1.7
167.05545	2.4
169.89984	0.8
170.99675	1.9
173.01218	6.4
177.00688	8.9
177.32770	0.8
179.02231	18.0
185.01219	1.7
189.00719	1.6
191.02271	7.9
194.99707	1.0
195.01761	0.8
197.03299	13.1
201.00673	4.6
203.02293	3.4
205.03784	1.1
208.97577	3.9
213.00705	2.0
219.01675	13.9
221.03194	3.7
222.99185	1.8
226.98602	11.1
229.00148	4.0
232.96425	1.6
233.03267	1.4
237.00577	1.3
237.02815	17.9
239.04471	1.4
241.00157	10.0
244.99637	7.3
247.01227	2.5
250.98439	0.9
255.03833	1.0
259.01248	14.2
261.02832	1.8
263.00714	5.9
263.04446	1.7
268.99640	4.0
274.97617	1.8
275.04449	1.3
276.02179	1.2
277.02225	6.1
279.03949	3.1
281.05399	1.9
283.01071	4.0
287.00757	3.6
288.92209	1.1
297.02780	1.2
299.06116	3.7
301.02225	5.9
305.05441	1.1
311.00623	1.6
312.97507	0.8
313.02084	1.5
315.03781	3.3
323.06464	19.2
324.79541	0.9
329.01819	1.2
330.93127	1.4
341.07486	13.0
343.03299	1.7
372.22455	0.8
450.97998	1.0
475.07529	100.0
476.07880	3.1
492.97980	1.7
493.08627	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	535.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36449	1.5
55.01875	8.8
65.03926	3.9
68.99787	6.0
69.03434	2.2
70.06584	4.7
70.70839	2.8
70.71180	1.4
75.65416	1.4
80.92158	1.4
81.03407	1.6
81.07040	2.4
85.02895	3.2
89.03938	1.5
91.05418	8.1
93.03400	3.7
97.02880	5.7
98.23235	1.8
103.05475	2.4
105.06973	2.5
107.04951	6.8
109.02842	4.6
111.04441	4.3
117.03409	1.7
119.04915	11.0
119.49469	1.5
121.02857	100.0
127.03884	2.9
133.06480	2.8
135.04443	4.9
137.05952	5.6
139.03917	4.2
141.64691	1.5
145.02841	5.7
145.06424	1.7
147.04411	5.4
149.02409	1.9
151.03934	5.0
153.01830	4.5
157.06517	2.9
159.04388	2.6
161.05974	4.6
162.48264	1.6
163.03874	16.8
165.01822	3.9
167.05428	2.1
170.56915	1.5
173.06004	2.9
175.03918	4.3
177.01888	2.9
177.05489	9.1
179.03427	1.9
181.04958	1.8
183.02931	2.0
187.03947	3.7
189.01817	4.9
189.05524	2.7
191.03375	5.0
193.04924	2.6
195.02916	6.3
201.05528	2.6
203.03346	9.2
205.04944	6.8
205.78052	1.7
206.05507	3.9
207.02908	5.3
207.06400	1.9
213.05421	3.4
215.03334	8.4
217.04985	6.6
219.02907	8.4
221.04463	3.9
227.03288	2.3
229.04984	6.2
231.02957	11.1
233.04433	6.6
235.05931	3.7
241.04961	3.2
243.02954	8.9
245.04482	3.8
247.06067	3.5
249.03799	9.4
257.04401	2.6
259.05960	3.1
261.03860	13.2
269.04431	3.8
271.06012	5.4
273.03922	5.8
279.05038	3.5
283.06046	3.0
285.03922	5.9
289.06970	2.9
291.04971	5.7
294.05185	5.2
295.05978	23.7
296.06464	2.4
297.03741	3.1
297.07388	2.7
299.06061	8.3
301.07083	5.9
305.08090	2.8
307.05951	18.9
308.06717	4.2
309.07370	6.7
315.04916	11.9
317.07916	3.2
319.08337	3.7
320.06851	3.7
321.07510	14.7
322.08447	2.8
323.09039	3.2
325.06998	17.5
327.04968	2.2
329.07840	1.9
333.06598	10.5
334.08301	1.7
335.09079	7.0
337.07043	15.0
339.08722	2.9
345.06168	8.7
347.09171	3.5
349.07037	16.4
351.08606	7.8
355.08368	1.7
361.07031	9.9
362.07584	2.1
363.07175	28.5
367.08066	6.0
372.24167	1.7
373.07013	6.6
375.08725	6.5
379.08057	28.7
381.08124	15.6
385.09259	2.1
387.08203	2.2
391.08011	19.2
393.09634	2.7
396.30643	1.6
397.09094	16.9
399.08841	3.0
403.08234	4.8
405.09406	3.0
409.09125	20.7
413.07675	1.7
415.09360	3.2
417.10001	3.1
421.09064	4.4
427.10327	14.8
433.09085	14.2
445.09375	9.6
451.10318	14.9
463.10269	16.0
469.11240	20.1
481.11304	36.9
499.12350	25.7
517.13391	10.3
534.29279	3.4
535.14148	74.0
535.21405	6.7
535.28906	3.3
536.16040	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.6
55.04430	1.7
61.02927	2.4
65.03938	2.1
69.03414	2.7
69.39407	5.5
69.39812	3.0
76.08897	1.4
91.05453	1.9
95.04966	2.5
107.04941	5.5
119.04935	13.1
121.02863	42.9
121.03818	2.4
121.04050	1.8
127.03786	1.8
137.06006	4.4
145.02837	6.5
147.04396	2.9
155.03119	2.7
161.02315	2.2
175.03854	2.0
177.01932	3.2
179.03435	1.8
185.05920	3.6
187.03966	2.2
189.01797	11.0
189.05435	1.9
191.03337	5.8
195.02844	8.2
203.03372	17.9
205.04967	3.3
206.05542	9.6
207.02884	6.3
209.07994	1.5
215.03334	9.7
217.04965	6.0
219.02878	5.6
221.04451	4.8
227.03429	3.2
229.05005	3.9
231.02908	2.1
233.04442	3.7
241.04861	2.1
243.02850	3.4
245.04417	2.7
253.04970	3.2
261.04001	2.8
267.06479	2.0
268.07297	2.3
273.03693	2.6
279.06516	5.6
281.04608	2.3
281.08105	3.8
283.06091	3.7
292.07312	3.5
293.08124	3.6
294.05246	12.8
295.05997	60.4
296.06680	5.3
297.07410	4.8
299.05997	3.8
305.08102	3.6
306.09140	2.5
307.06003	46.5
307.09271	2.8
308.06784	15.7
309.04147	3.5
309.07483	19.9
313.07040	4.8
317.08057	5.9
319.06021	5.6
320.06720	8.3
321.07523	52.7
322.08270	7.2
323.05789	2.3
323.09039	8.1
325.07068	40.1
329.08185	4.4
333.07571	30.6
334.08234	5.7
335.05493	4.1
335.09155	14.1
336.06155	2.1
337.07025	41.7
339.08591	3.2
345.07550	15.3
347.09280	8.5
349.07043	46.1
349.10736	1.6
350.07385	2.2
351.08557	22.4
355.08304	4.8
359.09305	3.7
361.06989	27.1
361.10751	1.3
362.07578	2.0
363.08545	22.9
367.08060	9.8
373.07074	17.5
375.08655	14.1
377.10330	2.0
379.08105	60.2
379.61929	2.0
380.08209	2.1
387.08557	7.4
389.10294	3.9
391.08078	49.1
393.09784	3.6
397.09143	40.2
399.08624	5.6
403.07999	10.2
405.09732	7.5
409.09134	52.3
410.09705	2.0
415.08188	12.6
417.09808	9.3
421.09302	4.8
427.10333	32.5
433.09167	25.7
434.09793	1.9
439.10522	2.1
445.09308	19.0
451.10172	26.3
463.10205	28.0
469.11343	34.7
481.11273	100.0
482.11301	3.7
499.12259	68.9
503.20642	2.5
517.13403	18.5
535.17535	44.3
535.23761	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	535.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.2
61.02906	3.8
65.03917	1.7
69.09802	3.2
69.10210	6.3
73.84465	1.5
88.64056	1.3
94.29098	1.5
96.42822	1.3
107.04943	2.5
113.02055	2.2
119.04938	6.7
121.02852	33.5
121.03765	1.9
140.92419	1.5
145.02834	4.7
149.06041	1.5
155.03113	4.4
159.04520	1.5
179.03387	2.1
187.03864	2.2
189.01833	6.9
191.03427	5.5
195.02875	4.5
199.03885	2.1
203.03322	13.1
204.07600	3.8
205.08171	2.4
207.02927	4.6
213.05319	1.5
215.03368	6.3
217.05020	4.8
219.02884	3.2
221.04442	3.1
229.05075	2.0
231.02956	3.8
233.04573	3.0
243.02888	2.4
245.04343	2.1
267.06564	2.6
268.07385	2.3
271.06152	2.4
273.03931	2.4
279.06488	3.0
281.04761	2.3
281.07724	2.9
283.06030	3.7
293.08087	4.7
294.05133	12.2
295.05969	42.3
296.06696	4.0
297.07489	3.3
304.06976	2.0
305.08362	3.1
307.05972	39.2
307.09140	2.4
308.06750	10.9
309.07510	16.3
313.06937	1.9
317.08109	3.0
319.06079	4.0
320.06741	5.8
321.07483	38.6
322.08124	7.2
323.09201	5.4
325.07010	40.2
329.07968	3.7
331.05847	1.9
333.07474	21.2
334.08221	4.4
335.05328	3.1
335.09021	16.4
336.06305	2.7
337.07001	32.8
337.10773	2.9
339.08624	4.3
345.07495	14.7
346.07870	2.8
347.09058	5.2
349.07025	36.3
350.07587	2.2
351.08536	15.8
355.08139	4.5
359.09158	4.4
361.06918	19.6
361.10721	3.0
363.08560	19.0
367.08096	7.9
373.07138	13.0
375.08670	12.0
379.08066	51.9
379.12927	3.0
387.08789	5.3
389.10483	3.2
391.08075	41.2
391.13049	2.3
393.09644	3.8
397.09106	39.7
399.08643	4.2
403.08249	8.8
405.09769	6.5
409.09106	60.3
415.08972	6.0
417.09888	5.6
421.09201	3.2
427.10263	34.4
433.09106	19.9
445.09412	12.1
451.10199	27.7
463.10168	16.3
466.05185	1.6
468.00824	1.8
469.11255	47.7
475.31396	4.4
481.04285	3.4
481.11234	67.3
499.12271	52.8
517.13306	14.2
534.20221	28.1
535.20514	100.0
536.21179	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1444
Annotation	6,8-Di-C-beta-D-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
55.01862	8.3
61.02925	2.2
62.38158	1.1
64.75430	1.1
65.90574	1.2
69.03413	1.8
69.54980	5.1
74.27663	1.2
81.03402	1.6
82.13204	1.1
85.02911	2.7
85.06574	1.4
87.00852	1.3
91.05442	6.3
92.33382	1.1
93.54449	1.1
96.35070	1.1
97.02890	1.9
105.01891	1.6
107.04950	2.6
107.74316	1.2
109.02861	1.7
111.04447	1.8
115.05406	1.2
119.04185	1.4
119.04904	8.1
121.02856	38.7
127.03959	1.7
131.04956	1.3
135.04430	2.3
137.05948	3.6
145.02832	6.8
147.04454	1.3
149.06018	1.6
151.03856	1.4
153.01833	1.6
163.03864	1.6
170.36044	1.2
175.03923	2.5
177.01860	3.9
179.03349	1.9
187.03801	1.3
189.01787	7.8
189.05481	2.0
191.03337	4.1
195.02936	4.1
199.03972	2.4
201.05354	1.9
203.03368	14.2
205.04977	3.3
207.02867	3.8
213.05458	2.0
215.03307	9.6
217.04935	4.7
219.02806	4.6
221.04478	3.9
227.03442	2.2
229.05025	1.7
231.02956	2.6
233.04398	4.6
241.04987	2.3
243.02805	3.8
245.04413	3.0
255.02931	1.2
257.04474	2.0
261.03860	2.7
263.07022	1.3
265.08606	1.5
267.06393	2.1
268.07275	1.9
269.04541	1.3
273.03839	2.3
277.08490	1.3
279.06488	4.8
280.07187	2.2
281.08057	2.6
283.05981	6.3
284.06625	1.4
291.06610	1.5
292.07349	3.0
293.08167	5.7
294.05182	11.2
294.08557	2.3
295.06006	51.4
296.06693	4.1
297.07285	5.7
299.05844	2.4
304.06836	1.4
305.08075	3.5
306.08679	2.4
307.05981	41.9
307.09293	2.5
308.06699	14.0
309.07489	20.0
313.07010	3.2
317.08096	4.9
319.05914	6.9
320.06671	7.5
321.07523	48.5
322.05032	1.4
322.08130	7.2
323.05609	1.8
323.09100	6.9
325.07053	35.5
329.07977	4.3
331.05930	2.7
331.09482	1.7
333.07544	27.2
334.08182	5.5
335.05487	3.0
335.09076	14.7
336.06128	3.9
337.07043	34.1
339.08569	3.1
343.09421	1.5
345.07526	15.1
347.08990	9.2
348.06229	1.5
349.07025	39.8
349.10526	1.9
350.07471	2.2
351.08566	16.8
355.08362	4.2
359.09229	5.8
361.06973	25.6
361.10907	1.4
362.07648	2.7
363.08609	19.5
365.10321	1.5
367.08032	8.7
371.09058	2.7
373.07019	14.2
373.12085	2.0
375.08649	13.3
377.10138	3.7
379.08081	58.0
381.09558	1.9
387.08511	8.7
389.10120	2.8
391.08054	45.5
392.08246	1.6
393.09750	2.7
397.09131	36.4
399.08508	3.8
403.08136	11.9
405.09683	9.2
409.09122	54.0
410.09598	1.8
415.08063	11.3
417.09460	7.4
421.08926	7.0
427.10239	34.6
433.09131	31.9
434.09784	1.3
439.10068	2.2
445.09589	20.1
451.10196	32.8
452.10144	1.4
463.10220	28.9
464.10495	1.6
469.11270	56.7
470.11414	2.0
481.11249	100.0
482.11420	4.0
499.12286	79.0
500.12738	3.5
503.20740	1.5
517.13446	18.0
535.14398	5.3
535.23969	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	535.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08304	1.8
52.97738	1.8
53.03941	2.9
55.01867	11.6
61.02919	2.7
62.24572	2.0
65.03949	5.1
68.99791	4.7
69.03432	4.8
70.06586	6.3
71.93475	1.8
73.02872	2.0
79.05505	2.6
81.03426	4.7
85.02892	6.4
91.05466	6.0
91.05929	2.2
93.18498	1.9
95.04983	4.3
97.02895	7.6
98.23463	6.5
103.05488	2.1
105.03370	1.8
105.07029	2.3
107.04924	10.1
109.02887	6.3
111.04436	6.7
114.45028	1.8
115.03931	2.1
119.04932	12.9
121.02858	100.0
121.03758	3.5
127.03886	4.4
130.04964	2.3
131.04926	4.2
133.06511	3.1
135.04405	5.2
136.07487	2.7
137.05995	7.0
139.03905	3.6
145.02843	7.3
145.06496	3.2
147.04382	5.4
147.07700	2.0
149.05901	4.0
151.03871	3.9
153.01825	8.6
153.05449	3.5
159.04411	4.7
159.08058	2.1
161.05963	3.4
163.03891	9.7
165.01852	2.3
167.05560	2.7
167.06949	4.3
173.05927	2.6
175.03893	4.6
177.01808	2.4
177.05469	7.2
179.03314	3.5
179.07014	2.5
179.69548	1.9
181.08603	2.9
183.02943	2.6
187.03896	3.5
189.01854	5.0
189.05519	3.0
191.03409	7.9
193.05017	3.6
195.02930	4.1
201.05527	4.7
203.03343	10.1
205.04959	4.7
207.02895	10.2
213.05501	2.9
215.03400	9.2
217.04991	7.3
219.02859	6.4
219.06322	2.0
221.04500	2.7
225.03841	2.3
225.10323	1.8
227.03383	4.3
229.05005	5.3
231.02866	9.9
233.04431	3.9
235.05920	3.7
241.04897	4.5
243.02927	9.5
243.06625	2.3
245.04445	6.4
247.06100	3.0
249.04002	7.0
255.02928	2.8
255.06450	2.2
257.04459	5.4
259.06107	4.1
261.03824	10.7
265.05548	1.9
267.06546	2.2
268.07288	2.3
269.04318	2.6
271.06009	4.0
273.03925	4.8
279.04703	3.3
281.07977	2.7
283.06052	3.8
285.03922	5.1
289.07047	2.2
292.07355	2.6
293.08142	4.9
294.05264	8.5
295.05972	41.4
296.06580	3.7
297.03885	4.6
297.07397	2.8
299.06018	7.4
301.07166	4.7
305.08096	3.9
306.08914	2.3
307.05981	29.2
308.06857	10.3
309.07587	10.4
313.07236	2.2
315.04749	9.8
317.07990	3.1
319.05844	4.3
320.06772	5.8
321.07602	29.9
322.08453	5.6
323.09122	4.7
325.06985	26.8
327.04999	3.1
333.07779	17.7
334.08313	3.7
335.09091	7.7
337.06995	23.6
337.10706	2.4
339.08545	2.9
345.07239	13.5
347.09103	4.3
349.07040	30.0
351.08521	14.2
355.08029	2.9
359.09161	4.3
361.06949	18.1
361.10947	2.5
363.07281	25.6
367.08063	8.0
373.06967	9.0
373.13809	3.5
375.08566	5.6
379.08105	47.8
381.08163	16.2
387.08600	6.9
389.10184	2.4
391.08090	32.8
392.08316	2.4
393.09631	2.7
397.09085	24.2
399.08658	6.9
403.08206	4.4
405.09818	3.6
409.09125	38.7
415.08813	8.5
417.09531	7.4
421.09058	5.6
427.10345	28.3
433.09128	19.7
445.09470	15.1
451.10275	27.9
463.10135	21.3
469.11295	37.2
481.11276	68.6
482.11404	3.6
496.20886	2.0
499.12347	47.2
517.12909	15.8
534.28790	4.4
535.13031	3.0
535.20984	9.1
535.29504	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	535.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	12.4
61.02922	2.8
63.59789	1.7
69.03419	2.9
69.13050	11.1
74.37894	1.9
81.07038	3.1
85.02914	2.7
85.06532	3.3
91.05459	4.5
95.04969	2.4
95.15891	1.9
97.02882	2.7
98.23435	3.4
99.74150	1.9
107.04921	4.1
109.02882	3.3
119.04943	14.1
121.02860	47.0
121.06445	1.8
127.03777	2.0
131.04935	3.2
135.04398	4.2
137.05951	12.4
145.02864	9.1
147.04431	3.2
149.05936	2.2
153.01694	2.4
155.03108	5.3
159.04442	2.8
168.60521	1.7
171.04448	3.3
177.01834	3.2
179.03444	2.3
179.07016	3.4
186.11661	2.3
187.03851	2.8
187.81616	2.4
189.01791	9.9
189.05319	3.0
191.03381	6.2
195.02872	8.0
199.03793	3.1
201.05347	2.3
202.02522	2.4
203.03354	17.9
205.04861	3.2
206.05478	19.2
207.02902	6.7
215.03319	7.6
217.04971	5.9
219.02841	5.3
221.04477	6.1
227.03349	2.8
229.05005	2.8
233.04370	5.5
241.04834	2.4
241.31238	2.0
243.02925	4.4
245.04375	2.2
261.04291	2.9
267.06525	2.7
268.07523	3.7
279.06555	3.7
280.07581	2.4
281.04648	2.3
281.08099	4.0
283.06033	3.7
291.06589	2.9
292.07300	5.4
293.08179	4.6
294.05283	14.5
294.08249	3.1
295.05960	65.3
295.08572	2.6
296.06674	7.7
297.07571	6.6
305.08011	5.0
306.09155	2.5
307.02393	2.7
307.05978	46.3
307.09085	2.1
308.06638	15.3
309.07562	21.0
313.07034	3.1
313.11728	2.7
317.08075	3.7
319.06049	5.9
320.06790	9.2
321.07529	49.2
322.08157	5.0
322.92722	2.2
323.05621	2.5
323.09091	5.9
325.07050	38.9
329.08072	6.3
331.05969	2.5
333.07538	32.2
334.08383	6.4
335.05374	3.7
335.09024	18.8
336.06268	3.6
337.07019	42.6
337.10727	3.9
339.08542	3.5
343.09351	2.4
345.07544	17.5
347.09274	6.2
348.05954	2.6
349.07068	43.4
351.08649	21.1
355.08163	3.3
357.07489	2.3
359.09134	6.8
361.07031	25.3
362.07828	2.3
363.08578	25.2
367.07971	10.1
371.08969	3.3
373.07031	17.7
373.13684	8.2
375.08722	15.7
377.10553	2.6
379.08063	62.9
380.08371	3.7
387.08798	10.6
389.10251	4.1
391.03247	4.1
391.08105	50.3
393.09766	4.8
397.09088	42.6
399.08807	5.8
403.07990	13.0
405.09750	8.1
409.09143	46.7
415.07791	10.0
417.09714	5.3
421.09204	6.3
427.10324	31.7
428.10629	2.2
433.09097	27.4
439.10403	2.7
445.09372	20.1
451.10284	30.8
463.10199	35.1
469.11301	35.0
481.11285	100.0
482.11481	3.3
499.12216	72.3
500.12518	2.8
517.13342	18.5
526.77728	2.2
535.17780	100.0
536.18036	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	535.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70405	0.2
63.02379	0.8
70.49557	0.6
73.04752	0.3
78.04710	0.6
89.03911	11.5
91.05431	0.6
95.04967	0.5
97.21739	0.3
103.05474	0.8
106.04160	0.5
117.03374	28.3
118.03735	0.4
119.04955	0.3
121.06492	0.3
134.03629	2.1
134.23355	0.3
135.04405	2.0
137.05983	0.4
141.55553	0.3
145.02840	60.5
146.03143	1.0
149.05965	8.5
158.06030	0.4
162.03136	0.4
163.03886	0.6
167.05513	0.9
167.06947	0.4
177.05460	100.0
178.05832	1.5
181.04930	1.1
181.06433	0.3
186.05528	1.5
187.65001	0.3
207.08083	0.4
211.07480	0.4
221.09505	0.9
223.07526	0.5
224.08037	0.3
234.06735	0.5
237.09000	0.5
242.05795	0.3
249.09087	0.9
251.06866	0.3
253.08566	0.7
255.06447	0.6
257.08157	0.4
265.08594	0.4
266.09119	0.4
267.10187	0.7
269.08035	1.1
277.08423	0.3
281.08032	0.4
281.11642	0.5
283.09610	0.6
297.07504	0.5
298.08170	0.5
299.06058	2.1
300.09857	0.8
309.11282	0.4
313.10593	3.5
313.14261	2.7
339.12317	0.3
341.13763	1.1
344.97662	0.4
398.19766	0.3
535.20313	0.3
535.28619	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02380	0.5
67.05507	0.3
67.15575	0.3
69.13252	0.9
69.13661	1.8
73.04751	0.6
78.04705	0.6
86.09688	0.5
87.02951	0.3
89.03906	11.2
91.05788	1.1
93.07018	0.3
103.05471	0.6
104.10697	0.5
106.04147	0.6
107.04980	0.5
117.03362	26.5
121.06511	0.4
124.99986	0.5
131.04930	0.4
134.03607	2.0
135.04399	1.9
145.02826	54.1
146.03162	0.9
149.04741	0.3
149.05960	9.1
158.05939	0.6
161.71925	0.3
163.03856	0.5
167.05524	0.9
177.05443	100.0
178.05841	1.9
178.07610	0.3
181.04948	1.1
184.07330	1.2
186.05489	1.5
195.07999	0.5
206.07268	0.4
220.08864	0.4
221.09462	0.6
249.09041	1.0
251.12520	0.6
252.07674	0.4
253.08482	0.6
257.08054	0.5
269.08029	1.0
281.11615	0.7
283.09637	1.0
297.07620	0.4
299.06128	2.4
309.11136	0.8
313.10583	2.2
313.14236	2.8
341.13651	1.2
344.97351	0.4
535.19739	0.6
535.28510	5.5
536.27521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.6
55.01867	6.8
65.03961	2.0
67.05495	4.2
68.15781	1.4
69.03427	3.2
69.36907	4.8
71.05001	2.2
73.04755	2.0
79.01849	5.2
79.05480	4.9
81.03427	3.1
81.07063	7.0
85.02903	2.5
91.05433	12.7
93.07036	6.4
94.04174	4.5
95.04965	3.8
95.08609	5.4
97.02934	1.6
98.22757	2.3
98.23415	2.9
103.05463	4.1
103.38569	1.4
104.91087	1.5
105.07014	8.9
107.04939	5.5
107.08595	5.3
109.02863	2.7
109.06488	3.5
109.10152	4.9
111.04460	1.9
115.05456	3.9
117.03444	1.9
117.07049	3.5
119.04940	6.9
119.08581	5.8
120.05756	2.1
121.06493	4.7
121.10143	4.3
122.03653	9.6
123.04377	2.4
123.11717	3.2
125.02374	2.8
125.05949	1.7
127.11209	2.1
131.04900	11.2
131.08582	1.6
133.02861	1.8
133.06462	3.4
133.10126	4.5
135.04395	3.1
135.08032	4.0
135.11665	4.1
137.02315	1.8
137.05965	100.0
139.03967	2.0
141.06966	1.8
142.07813	1.5
143.03400	3.0
143.04941	1.9
143.08609	2.5
144.05826	1.7
145.06459	3.4
145.10153	3.1
146.03619	2.8
147.04393	5.9
147.08029	2.2
147.11699	2.7
149.04593	1.9
149.05981	6.5
149.13310	2.3
151.03883	2.4
151.07567	3.5
153.01819	68.2
153.02882	3.8
153.05519	1.9
153.06898	1.4
155.04927	4.8
156.09442	1.8
159.04385	2.1
159.08005	2.9
159.11670	3.9
160.05136	3.5
161.05962	19.2
161.13312	2.1
163.07545	4.7
165.01869	4.4
165.07008	4.0
166.07750	1.6
167.05559	4.9
167.07048	6.4
171.04355	1.4
171.11659	1.4
172.05099	2.2
173.06062	1.8
174.06813	1.3
175.07542	11.4
176.04794	1.8
177.05466	4.1
177.06973	2.0
178.07866	2.2
179.07016	4.1
179.08459	3.0
183.02888	9.5
183.11656	1.5
185.05972	8.5
187.07510	4.9
189.05482	2.9
189.07004	2.9
189.16272	1.7
190.07779	1.9
191.07019	4.5
191.08603	2.2
193.06474	3.6
194.07272	4.3
199.07487	2.7
201.05412	1.8
202.07799	3.3
203.07030	7.8
203.08691	2.6
205.06546	3.4
206.07278	3.4
207.08159	2.5
209.09723	2.4
211.07545	2.7
215.06889	7.1
218.07283	4.8
219.08138	6.8
220.08804	3.0
221.05981	5.0
221.09729	2.9
222.06728	4.3
223.07574	2.9
224.08093	1.8
225.09047	2.9
229.06499	2.6
230.07281	2.1
231.08049	7.8
232.08849	2.0
233.05919	1.9
233.09700	1.7
234.06735	8.6
235.07562	5.2
236.08273	3.0
237.09079	5.2
238.06313	1.7
242.07297	1.9
242.37686	1.6
245.05978	3.0
246.06944	1.5
247.07538	5.7
248.08340	5.2
249.09131	8.3
250.06339	1.7
251.07079	2.9
252.07774	1.9
253.08623	3.9
257.05917	1.8
258.06750	2.6
259.07495	5.6
260.08377	2.7
261.09079	3.4
262.06158	3.5
263.06995	3.4
263.10944	1.6
264.07785	3.0
265.08585	11.3
267.10175	3.0
271.07382	2.0
273.08914	3.1
275.07065	4.6
275.10428	2.1
276.07843	3.5
277.08481	10.7
278.09344	2.3
279.06677	1.7
279.10190	4.1
281.08090	1.8
281.11624	1.4
283.09900	6.7
284.10550	1.8
285.11407	6.6
287.07053	2.9
288.07938	2.2
289.08545	5.4
290.09528	2.0
291.10199	6.6
292.07120	2.0
294.08813	2.9
295.09583	2.0
297.11212	9.2
299.06216	9.3
301.08597	5.2
302.09317	1.8
303.10172	4.4
305.08075	13.7
306.08923	3.9
307.09723	6.3
308.10312	2.5
309.11218	6.8
310.11966	1.8
311.13187	1.5
311.20050	2.3
313.08243	1.8
314.09329	2.1
315.12390	7.3
316.07416	1.6
317.08044	1.8
318.08929	2.7
319.09708	11.3
320.10281	1.6
321.11340	2.6
325.10635	2.5
329.20947	2.1
330.08990	2.4
331.09531	2.6
333.11313	7.1
337.10684	35.7
338.11353	2.8
339.12338	3.7
344.97470	1.5
345.11194	5.8
348.09891	3.0
351.12350	17.0
355.18842	1.9
363.12302	18.5
365.11749	1.7
373.20111	3.5
375.12119	2.0
381.13028	2.2
405.11133	2.1
425.13895	2.0
427.15405	3.7
437.13635	5.4
443.14856	2.8
455.14948	5.3
457.16449	4.7
467.14963	2.5
469.16470	8.3
470.16562	1.7
475.17197	2.7
481.16272	1.6
487.17581	13.0
499.17291	8.0
505.18362	2.5
517.18347	2.0
534.85400	1.5
535.19000	2.5
535.25256	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.1
61.96132	1.2
71.43150	2.0
79.05514	2.5
90.49888	1.1
91.05420	3.5
91.05875	2.4
94.04184	4.6
95.04947	2.2
100.34928	1.2
103.05463	2.4
105.03416	1.7
105.07016	2.3
106.04117	1.6
107.04994	2.3
107.08567	1.3
107.85269	1.3
109.06558	1.3
115.05441	1.4
117.07035	1.8
119.04944	2.2
121.06466	1.5
122.03622	9.9
131.04955	4.0
133.06490	1.6
137.05957	100.0
143.04871	1.5
145.06465	2.2
147.04451	1.7
147.08058	1.3
149.05936	3.1
151.03918	4.2
151.07556	4.6
153.01884	1.1
155.04889	2.9
159.08012	1.3
160.05272	2.1
161.05983	7.9
161.83682	1.3
163.07574	2.3
165.05489	1.5
165.06917	2.9
167.05536	4.8
167.07037	3.5
173.05943	1.4
175.07503	3.4
177.05511	2.3
177.06943	1.4
179.06970	1.5
181.04993	1.8
181.06451	1.6
185.05949	4.1
187.07498	2.7
188.04623	2.0
189.07057	2.4
191.07028	3.0
193.06462	3.1
194.07260	1.9
203.07004	4.0
203.08618	1.5
205.06529	2.4
206.07376	1.9
215.07002	3.3
217.06459	1.9
219.08051	3.1
221.05939	2.0
223.07477	2.0
225.09109	2.6
231.07983	2.3
232.08781	1.5
233.05939	2.0
234.06737	5.2
235.07468	2.4
237.09082	1.6
238.06290	1.8
239.07126	1.4
239.09381	1.4
240.07561	1.7
246.06664	1.3
247.07600	2.4
249.09097	3.7
253.08591	3.3
259.07504	3.6
261.05325	1.5
261.08969	2.4
262.06281	3.0
263.06995	2.8
263.10577	1.3
265.08554	5.2
266.09406	1.8
269.08124	1.6
271.07343	1.7
271.18835	1.1
275.07153	1.3
276.07874	3.3
277.08536	8.5
278.09088	1.3
281.08127	2.2
283.02872	1.6
283.09647	3.7
285.11221	5.3
287.07059	2.1
288.07773	1.7
289.08423	1.9
291.10184	3.0
292.92474	1.5
293.08014	3.3
294.08792	1.6
295.09433	2.0
296.10306	1.7
297.11230	4.4
298.11835	1.4
299.06143	9.5
301.08563	4.4
302.09375	1.2
303.09930	1.4
305.08090	5.4
306.08990	1.2
307.09662	3.6
308.10617	1.2
309.11215	5.4
318.09006	1.8
319.09647	4.4
320.10352	2.5
325.10602	2.3
331.09726	1.4
333.11145	3.5
334.09787	1.9
336.09558	1.6
337.10834	10.6
339.12643	1.5
345.11459	1.7
351.12604	6.4
352.11111	1.3
359.02884	1.2
362.09314	1.4
363.12247	3.2
367.13370	2.1
377.11932	1.9
379.09497	2.5
380.10132	1.6
381.13208	1.2
394.11938	1.5
405.11395	2.3
411.12402	2.6
425.13452	2.0
427.15500	7.8
437.13751	7.1
443.14740	1.4
455.14789	15.8
457.16528	3.8
459.18268	2.1
469.16422	13.5
475.16992	1.8
481.16086	1.6
487.17432	13.2
499.17288	4.3
517.18066	1.6
535.19159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2147
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
55.42668	0.2
59.38040	0.2
61.38642	0.2
61.39049	0.2
64.81445	0.2
71.15494	0.3
73.04731	0.4
99.85411	0.2
105.07034	0.3
107.04951	0.3
137.05954	0.7
151.07504	0.2
161.05956	0.3
167.03215	0.3
167.05594	0.4
167.07005	0.4
169.04753	0.5
187.07599	0.3
191.03114	0.7
206.05467	5.8
207.06229	1.7
207.09921	0.4
234.21655	0.3
299.06183	1.0
341.91098	0.3
351.14096	5.1
505.19940	0.4
535.21442	100.0
536.21686	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	535.2147
Annotation	piperaquine
Peak:m/z	Relative Intensity
55.24160	0.3
71.02362	0.4
73.42448	0.4
91.05811	0.3
93.07023	0.3
108.18352	0.3
113.11096	0.3
117.03472	0.4
137.05977	2.7
161.05994	0.7
167.05594	0.6
167.07005	0.4
176.04532	0.7
177.05428	0.8
183.95259	0.3
189.05266	1.2
203.03175	0.6
203.06947	0.3
205.04703	20.9
206.05048	0.4
218.05486	5.5
219.06198	2.0
225.04329	0.4
228.44882	0.4
232.06999	3.2
233.07854	1.1
234.08612	8.1
247.09341	2.5
249.07404	2.3
263.08902	0.4
293.09930	12.9
299.06268	1.2
305.10004	0.6
307.11499	13.6
308.11768	0.5
323.11118	0.9
370.92996	0.4
460.16867	1.1
503.18948	0.5
505.20584	0.8
535.21460	100.0
536.21637	4.1
537.71979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2748
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
52.73818	3.7
67.05494	16.2
69.03432	13.6
69.07050	11.1
69.48242	19.1
69.48656	7.0
72.13287	3.9
81.03418	8.5
81.07061	17.1
83.04971	12.5
85.02905	23.4
91.05469	17.4
93.07014	11.6
95.04967	8.6
95.08594	29.6
97.02898	7.3
97.06489	5.9
105.07036	10.7
107.04959	12.7
107.08579	19.9
109.02843	4.9
109.06518	11.5
109.10143	88.8
109.62962	4.4
115.05446	5.5
119.04935	12.9
119.08553	34.5
121.06455	6.5
121.10112	12.6
122.03690	6.2
123.08070	13.1
123.11717	7.9
133.10139	12.4
135.11668	100.0
137.05954	70.0
137.09612	13.1
149.13295	6.6
151.07539	49.9
151.11157	12.4
151.14781	10.8
153.01820	12.3
161.06058	5.5
163.07491	7.8
167.07027	14.4
175.14824	34.2
179.06990	33.9
181.08620	27.3
191.10579	5.0
193.15872	64.1
195.10097	5.8
211.16899	95.1
219.74806	4.9
268.23911	5.0
287.05563	5.0
379.08017	6.2
394.69067	5.2
409.09375	5.0
481.11127	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	535.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.03424	0.7
60.08157	0.5
67.05491	2.4
69.18626	2.4
73.04716	0.5
79.05482	1.8
81.03397	2.8
81.07041	1.8
83.08621	1.1
85.02890	1.3
86.09690	2.8
91.05464	1.7
93.07037	1.3
95.04962	1.3
95.08578	0.8
104.10738	4.7
105.07023	2.0
105.11069	0.9
107.08548	0.5
111.08075	0.5
119.08541	1.1
120.71276	0.4
121.10105	0.6
124.99998	1.7
129.06985	0.6
134.34525	0.4
147.11685	0.7
157.10089	0.6
167.05568	1.3
173.73547	0.4
175.11169	0.5
177.65068	0.4
184.07312	4.8
185.07629	1.0
193.12212	1.0
194.58081	0.4
202.79323	0.4
222.98210	0.5
233.11646	1.1
251.12505	7.2
266.99918	0.6
269.12286	0.6
283.02927	0.5
299.06171	1.9
307.15112	6.1
489.33987	0.6
499.30344	0.5
517.30200	1.4
535.28699	100.0
536.28790	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	535.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39877	1.3
73.04708	1.4
75.24374	1.3
79.05479	1.9
81.03410	2.1
81.07052	2.6
85.02897	2.4
89.03951	1.6
91.05815	6.3
93.07060	2.1
117.03378	4.3
137.06012	2.2
140.18297	1.3
145.02844	6.6
149.05925	2.0
167.05566	6.6
168.11380	1.5
177.05489	14.2
239.09511	1.3
251.12511	12.7
252.78870	1.2
266.99973	2.0
283.02911	2.0
299.06140	10.6
307.15198	5.6
535.28711	100.0
536.29236	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	535.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99726	0.5
55.05495	0.6
57.03428	1.0
60.29110	0.4
61.15348	0.5
62.14346	0.5
67.05488	1.4
70.06618	0.4
73.04747	0.7
79.05472	1.3
81.03396	1.4
81.07035	1.0
83.04962	0.7
83.08582	0.9
85.02905	2.9
87.99759	0.4
91.05453	1.7
91.05872	0.7
93.07024	1.1
95.04947	1.2
95.08602	0.7
105.07020	2.0
107.04903	0.6
111.08108	0.5
119.08558	0.6
121.10168	0.7
129.07010	0.5
133.06494	0.7
133.10130	0.7
137.05980	1.7
145.02832	1.2
147.11678	0.7
157.10103	0.6
167.05560	1.6
177.05479	0.8
193.12270	0.6
225.04202	0.5
251.12509	9.4
258.26953	0.5
281.04941	0.5
283.03015	0.5
285.16953	1.0
299.06122	3.6
307.15106	8.3
344.97852	0.7
393.97955	0.6
415.03479	0.9
535.28687	100.0
536.28943	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	535.324
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	4.7
69.07047	1.0
69.67238	1.1
69.67594	3.1
71.04976	1.4
73.04765	1.8
79.05486	1.3
81.07050	4.3
83.08629	1.5
91.05777	3.7
92.37587	0.9
93.07044	2.2
95.08583	1.5
98.22924	2.6
107.08595	1.5
116.57175	0.9
122.30576	0.8
131.08521	1.0
133.10107	1.0
149.04489	1.1
167.05513	4.8
199.58974	1.0
232.62039	0.9
235.13016	2.1
255.39590	0.9
267.15753	5.8
283.02991	1.3
290.04892	1.0
291.15652	2.8
299.06091	8.7
323.18256	3.9
323.21774	1.3
344.97644	1.9
359.58328	1.0
415.03745	1.8
463.26648	4.0
470.42715	1.2
535.32361	100.0
536.32831	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	536.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.6
57.07062	12.0
67.05502	13.5
69.07069	17.6
69.52439	18.7
71.08619	5.0
73.04778	23.7
79.05508	8.7
81.07064	30.0
83.08627	17.5
86.09728	5.0
91.05795	48.8
93.07034	7.6
95.08588	22.9
97.10157	14.8
104.10737	11.9
107.08608	8.7
109.10150	14.2
121.10128	7.0
135.11682	12.3
149.04553	12.4
149.13251	6.9
149.20068	4.9
167.05534	44.9
184.07347	8.8
225.04309	12.8
239.09358	9.9
247.24197	13.2
265.25296	44.0
266.99893	9.5
283.03009	18.0
299.06137	100.0
300.06216	8.9
339.28961	29.9
344.97803	16.2
357.29971	9.9
359.02997	13.6
391.28351	6.5
409.29672	6.1
415.03711	18.2
503.10406	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	537.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.1
66.79231	1.2
69.03425	2.6
70.59176	1.8
71.35892	1.2
73.04742	1.3
81.03413	3.3
85.02914	5.7
91.05460	1.7
92.05017	2.5
93.07044	2.4
94.06560	1.3
95.05013	1.3
96.08108	2.6
97.03679	1.1
103.05431	1.2
108.08109	7.0
109.02892	1.8
110.09659	5.5
111.19976	1.1
116.04982	2.8
120.04433	5.8
120.08086	3.1
122.06019	4.4
124.07525	1.6
136.07605	6.3
137.05952	9.8
138.09109	7.9
144.04449	6.7
148.03915	100.0
148.07561	2.0
149.04297	1.5
151.03882	3.9
151.07515	1.4
153.01894	1.8
154.08678	1.9
161.06006	1.6
162.05492	5.2
166.04993	15.9
166.08615	19.0
167.05518	2.9
168.05717	1.3
172.03908	34.1
174.05411	1.3
179.07066	4.5
190.04956	8.9
203.07022	1.2
204.06534	73.6
205.06921	1.2
227.11720	2.0
255.11255	17.8
273.12311	13.5
283.10748	15.9
299.05978	2.6
300.06192	3.0
301.11777	73.6
302.12195	2.2
319.12823	2.8
325.11859	2.7
329.14932	2.2
334.09302	2.0
339.13171	1.6
343.12851	47.9
357.14368	12.2
375.15253	3.2
519.19550	1.4
537.17981	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	537.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85274	8.5
73.04744	14.2
79.05470	3.8
81.03411	4.3
85.64137	2.5
89.03932	8.9
89.11874	2.6
91.05863	16.0
95.04992	3.9
103.05461	7.7
105.03410	3.3
105.07027	5.6
107.04940	10.3
115.05419	3.2
117.03371	21.1
122.03684	2.7
122.07355	3.1
131.04926	7.9
135.08066	2.8
137.05959	13.3
145.02834	50.9
147.04428	3.2
148.08818	2.3
149.04535	3.4
149.05956	8.0
151.07512	3.4
161.05928	4.0
162.06773	5.0
163.07521	5.5
165.83499	2.2
166.07892	2.2
167.05551	13.6
167.06918	3.7
168.05600	5.4
175.07600	12.7
177.05458	100.0
178.06093	2.9
179.31450	3.3
205.06541	2.6
219.10175	25.3
223.22623	2.2
225.04269	4.3
239.09402	3.0
265.08530	3.4
266.99869	3.3
267.99759	2.4
283.02979	3.7
284.02951	4.6
297.11041	4.1
299.06146	24.0
300.06152	25.7
310.11716	3.0
311.12762	43.9
312.13120	2.6
343.15338	8.8
345.97806	5.4
372.77374	2.6
375.21426	5.1
395.14615	4.1
415.03403	2.6
416.03516	6.6
537.26752	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02366	0.3
65.22334	0.3
69.23991	1.3
73.04755	0.8
78.04710	0.8
79.05481	0.3
81.03419	0.3
86.09221	0.3
86.62027	0.4
89.03905	12.6
91.05374	0.5
91.05797	1.3
93.07083	0.3
98.22676	0.6
103.05470	1.0
105.07011	0.4
106.04151	1.0
107.04943	0.8
117.03364	29.1
118.03709	0.3
119.04948	0.6
121.06474	0.5
129.06984	0.4
131.04933	0.4
134.03613	2.2
135.04424	2.0
137.05949	3.0
145.02827	62.3
146.03221	0.8
149.05965	9.4
149.07166	0.5
151.03889	0.3
151.07501	0.7
161.05971	1.3
162.03180	0.3
163.03909	0.6
163.07483	0.3
167.05553	2.0
168.05623	0.4
175.07524	1.3
177.05443	100.0
178.05804	1.9
186.05511	1.6
189.09106	0.8
219.10103	2.0
261.01437	0.3
261.08948	0.5
265.08566	0.6
266.99884	0.4
278.09119	0.4
283.02988	0.5
293.11597	0.4
297.11212	0.6
299.06049	2.2
300.06177	2.3
301.05688	0.4
311.12668	0.8
325.14160	0.6
329.26660	0.3
343.15332	0.7
344.97449	0.5
345.97537	0.6
416.03510	0.7
537.29138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01859	2.7
65.03927	1.7
69.03416	1.1
69.31896	3.8
73.02895	1.3
73.04755	2.7
75.49908	0.8
77.03951	1.0
79.05479	3.2
81.03394	2.0
81.07016	1.0
91.05855	6.3
93.07047	2.0
94.04201	1.2
95.04960	2.9
103.05458	53.8
105.07040	4.8
107.04943	1.8
109.02890	1.2
109.10188	1.0
111.04429	2.0
115.05412	1.5
117.07042	1.1
121.06504	1.8
121.10104	1.5
122.03672	2.4
125.05965	2.0
126.44536	0.8
127.03965	0.9
129.06992	1.4
131.04919	100.0
132.05228	2.6
133.02893	1.7
133.06477	4.1
137.05969	36.3
137.11284	1.0
139.03876	1.9
141.05423	3.9
143.04912	0.9
145.06464	1.3
147.04420	3.4
149.05954	1.7
151.03894	2.5
151.07501	2.0
153.01802	1.3
153.05511	2.7
159.08047	1.0
160.05147	1.2
161.05962	10.9
162.06758	1.1
163.07527	28.2
165.05519	1.2
165.06982	1.0
167.05548	7.1
167.07042	3.1
168.05701	1.6
175.07538	4.8
177.05486	1.6
179.07024	2.4
181.04974	3.0
182.37010	1.0
185.05998	0.9
187.07567	4.1
189.09142	1.4
191.06972	1.6
193.04955	1.1
195.06505	3.1
199.07503	3.1
205.08546	2.1
209.08081	1.4
225.04326	1.0
225.09166	1.3
240.07631	1.1
253.08678	1.5
265.08813	1.4
268.00021	1.3
283.03055	1.5
284.03259	1.7
285.11154	1.5
291.10162	1.0
297.11154	2.8
299.06134	7.6
300.06213	9.2
309.11261	2.0
339.12048	2.0
341.13797	1.2
344.97824	1.5
345.97644	2.1
357.13232	2.1
360.02924	1.1
375.21515	4.5
387.76660	0.9
416.03809	1.7
448.15002	1.7
537.27173	16.1
538.27155	1.0
544.84320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	0.4
70.50611	0.9
71.41266	0.4
73.04690	1.2
79.05441	0.6
81.06984	0.9
91.05719	2.0
93.06972	1.4
95.08537	0.8
105.06985	0.5
107.08499	0.6
121.06204	1.7
121.10068	1.5
123.04388	0.4
137.05956	0.9
149.04546	0.5
149.09534	0.4
161.05867	0.4
165.08801	1.1
167.05603	2.2
167.06810	0.7
168.05623	0.4
180.11139	1.1
201.28780	0.4
225.04193	0.4
233.11478	1.7
266.99948	0.5
276.16904	0.4
284.02988	0.4
299.06161	3.0
300.06152	2.8
331.22495	1.0
335.44846	0.4
345.98059	0.5
375.21402	100.0
376.21762	3.8
537.26721	56.6
538.26990	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	18.2
57.03418	9.6
57.07073	36.6
67.05495	49.0
69.07049	13.8
69.22142	14.6
69.22553	20.3
71.08633	30.7
79.05482	49.0
81.07059	43.5
83.08614	9.3
85.10174	16.4
91.05464	50.2
93.07030	44.2
95.04969	19.7
95.08586	37.1
97.10182	8.4
105.07006	33.9
107.08566	7.5
119.08558	15.3
129.06995	10.2
133.10141	7.4
145.10110	9.2
147.11710	19.0
161.09560	6.8
171.11656	24.3
207.13828	28.9
241.24406	5.4
281.17419	38.7
281.29416	30.2
282.27899	100.0
299.30438	27.0
301.62616	6.5
313.27332	42.3
416.54645	6.5
448.42972	6.7
519.40564	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03432	2.1
61.02928	3.0
65.31228	1.0
67.60686	1.0
69.03432	8.8
73.02901	1.7
73.04752	2.4
79.05482	3.6
81.03416	3.8
85.02896	34.4
87.04454	1.6
89.13972	1.0
91.03913	1.1
91.05409	11.9
94.57497	1.0
95.04965	1.3
97.02869	9.1
99.04427	1.7
103.05457	1.5
107.04936	9.2
109.02866	3.3
115.03925	1.5
119.04060	1.7
119.04925	29.8
121.06472	3.6
127.03891	9.1
131.04916	3.0
133.06470	2.4
135.04416	12.8
137.05968	21.7
143.04970	1.1
145.04918	9.9
147.04391	78.9
148.04776	2.2
149.05965	8.1
151.07590	4.9
161.05986	1.9
163.06070	2.4
163.07544	3.3
167.05574	4.2
167.07010	37.0
169.05196	2.1
175.07545	1.5
177.05475	1.4
179.07016	100.0
180.07347	1.4
186.14200	1.3
187.07452	1.7
191.07080	3.2
192.45416	1.0
197.08107	6.5
199.09042	1.2
203.07030	2.0
215.06931	1.7
221.08174	1.6
229.08615	1.7
241.09483	1.0
255.07631	1.1
257.08246	1.3
275.09061	1.1
293.10275	2.1
299.06082	5.2
300.06339	2.8
301.05890	4.3
311.11136	7.7
314.20688	1.1
315.09619	2.2
323.11340	1.3
346.97641	1.6
375.11816	3.5
404.36258	1.2
417.03302	1.7
538.19000	11.7
539.18597	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	538.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27837	0.6
55.01855	2.0
55.05502	0.8
61.02922	1.1
63.10690	0.6
64.55855	0.6
65.03915	0.7
65.93076	0.6
69.03422	2.8
69.40821	2.8
74.29010	0.6
79.05490	0.9
81.03409	2.0
81.07009	0.8
83.08630	0.7
83.67169	0.6
84.04494	1.0
85.02889	8.1
91.05432	0.9
93.03391	0.7
93.07045	0.8
94.04165	2.2
97.02885	2.5
99.04408	0.7
100.11242	2.7
103.05455	1.7
105.06985	0.7
107.04930	1.1
109.02841	0.8
111.04415	1.9
114.09164	2.1
115.05443	6.0
117.07009	2.4
117.43362	0.7
119.04893	0.6
122.03654	3.8
125.06004	1.6
127.03900	1.3
128.06219	1.2
129.06989	4.4
131.04921	3.8
133.06528	0.7
133.10106	0.9
137.05966	78.5
138.06310	1.2
143.04912	10.1
144.05740	1.7
145.04977	2.2
145.06494	1.9
147.08006	0.6
149.05930	1.1
151.03822	0.8
151.07524	0.9
153.01845	0.8
153.05441	2.7
154.12230	1.4
155.05934	0.8
157.06488	4.3
160.05191	14.3
161.05997	3.6
163.07553	3.0
165.05478	0.9
172.05182	2.4
173.05949	0.9
174.06734	1.8
175.07532	100.0
176.07857	1.0
177.09114	1.5
180.08670	1.1
182.15379	1.2
187.07527	31.3
189.09087	8.4
199.07384	0.7
203.08513	1.5
205.06651	1.4
205.08571	21.1
205.10439	1.2
210.14943	1.1
211.07529	1.4
217.08592	2.8
219.08076	1.5
221.10025	0.7
227.06828	1.1
231.08008	2.0
235.09599	17.3
239.06859	1.2
247.07516	0.8
248.08286	1.9
255.06584	1.3
259.07538	1.2
263.10641	2.6
270.08893	2.0
271.09616	4.0
276.07751	1.8
279.10089	1.9
281.18527	1.1
291.10034	4.5
311.12787	3.0
323.12799	7.0
341.13867	6.1
538.21747	1.0
538.39349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	37.7
64.22060	5.7
67.05495	14.5
67.40951	5.6
69.07063	7.6
69.39024	23.1
71.08632	34.6
81.07046	16.0
83.08626	11.8
85.10170	19.7
85.96978	5.5
86.54272	4.9
91.05788	10.2
92.88762	5.0
95.08600	27.8
97.10177	12.8
98.23438	10.2
109.10142	15.1
123.11653	6.5
133.97980	6.0
139.93956	5.4
158.67213	4.6
167.05608	7.3
225.04420	6.3
267.26743	39.7
301.05844	11.7
341.30530	100.0
438.68771	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	539.212
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
50.34516	1.9
54.15670	1.8
55.44758	2.3
67.05490	3.4
69.03411	4.1
79.01834	3.2
81.03403	5.7
81.07051	2.8
85.02895	4.9
85.81601	1.8
91.05518	2.0
95.08604	12.1
95.98936	1.8
97.02883	6.3
97.06523	2.0
105.07006	2.6
107.08541	2.8
109.02856	5.1
119.08556	3.2
121.06506	2.3
121.10140	3.3
123.08027	3.5
125.02344	3.9
127.03893	9.5
133.10101	3.0
137.05984	4.4
143.03365	7.8
145.04840	2.4
147.11746	2.2
149.09590	18.3
151.04025	1.8
153.01813	100.0
153.02869	5.0
154.02135	2.0
161.05989	3.6
163.07578	2.4
167.06950	2.9
171.02797	12.3
189.12709	5.6
207.13797	22.0
219.10178	2.8
297.05865	5.9
315.07068	16.0
539.20013	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	539.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46566	0.4
50.92999	0.3
56.72087	0.4
67.67687	0.4
69.13774	0.3
69.64745	0.3
70.06516	0.7
70.06860	0.8
98.22777	0.6
98.23325	0.6
100.11224	0.5
149.15906	0.4
167.05536	0.5
204.14963	0.4
279.09238	0.4
287.12540	0.7
301.05899	0.6
302.06158	0.5
383.55670	0.4
497.93005	0.4
539.22467	100.0
540.22717	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	539.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31078	1.0
65.21315	0.9
69.29539	5.8
79.05498	1.8
81.07037	1.9
91.05476	6.0
93.07038	1.4
93.98075	1.1
94.04173	3.9
95.04948	1.7
98.23134	3.8
99.08205	1.0
103.05422	1.6
105.07017	2.9
107.04935	2.0
108.05664	1.2
109.06507	2.1
115.05419	1.8
117.06995	3.3
119.04935	4.7
119.08572	1.2
121.06479	2.9
122.03639	8.3
123.08055	4.9
128.06204	1.1
129.06995	2.8
131.04941	1.7
131.08537	1.4
133.06558	1.7
135.08060	2.5
136.05165	1.8
137.05962	100.0
138.06319	1.6
143.04893	1.5
145.06488	1.9
146.03630	1.4
149.05952	2.8
149.09639	1.4
151.03847	2.2
151.07526	43.6
157.06462	1.9
161.05959	13.3
161.09483	0.9
163.07594	4.6
165.06992	2.6
165.09062	1.3
166.07829	2.4
167.08519	1.4
169.06532	1.0
174.06812	0.9
175.07570	7.0
177.09093	8.3
178.07785	1.8
179.08521	1.7
179.40309	1.0
181.06471	1.4
187.07558	2.0
189.07005	1.4
189.09018	5.3
194.07220	4.8
195.08238	2.0
195.10133	26.6
196.10431	1.2
198.14769	0.9
205.06444	4.3
205.08429	1.9
206.07336	1.3
207.08113	1.7
207.10136	3.3
209.09601	1.7
210.06732	2.0
219.07973	1.9
221.05922	2.1
222.06718	4.1
223.07520	2.2
224.08281	1.3
225.09135	1.8
232.31912	1.0
233.05974	1.7
234.06715	2.0
235.07428	2.3
236.08276	1.2
237.09106	7.0
238.06265	1.4
239.06976	1.7
247.07404	1.4
249.09058	3.1
250.06252	2.1
251.07047	2.4
253.08603	3.8
265.08563	17.3
266.09146	3.1
267.10172	2.4
269.08075	2.3
273.11258	1.4
277.08557	4.9
278.09305	1.6
279.10080	2.0
281.08179	2.0
283.09595	5.1
284.10455	1.2
285.11218	10.9
287.12689	1.3
291.09927	1.3
296.10300	1.9
297.11176	34.6
298.11722	1.7
299.12711	2.8
305.11624	1.4
309.11163	3.7
311.12689	14.7
317.14011	6.2
317.17242	1.0
323.12680	3.1
325.14438	1.4
337.14389	5.0
341.13937	1.8
343.15353	2.2
355.15335	3.7
377.22867	6.2
429.16934	1.6
435.17993	1.1
447.18356	1.6
461.19632	5.8
464.18143	1.1
473.84229	1.0
479.20523	8.1
491.20465	3.7
539.28436	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	539.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	2.5
79.05472	3.9
89.68259	1.7
91.05470	12.8
95.04927	4.5
103.05473	4.2
105.06998	5.1
105.18939	1.9
107.04943	6.5
109.06519	3.0
115.05438	6.5
117.07027	4.2
119.04894	8.5
119.08575	1.9
121.06494	5.0
122.03654	6.4
123.08039	3.5
128.06192	2.9
129.06995	5.3
131.04939	9.3
131.08543	2.5
133.06462	3.8
135.08040	3.1
137.05962	100.0
145.06473	2.7
147.04372	2.6
147.07996	2.4
148.84363	2.0
149.05962	3.9
151.03880	2.5
151.07527	41.7
157.06490	5.9
161.05971	33.2
161.09572	7.4
163.07518	12.4
165.06990	5.2
165.09061	4.9
167.05614	2.0
167.06987	6.4
174.06752	4.2
175.07518	32.0
177.06989	1.7
177.09106	11.5
178.16788	1.7
179.06989	2.5
181.06464	2.3
183.08147	2.9
185.06009	3.9
187.07588	1.9
189.09099	18.3
191.07066	2.2
193.06548	2.6
193.08537	2.4
194.07228	6.2
195.08293	3.3
195.10149	19.3
199.07686	2.2
205.06416	2.6
206.07143	1.8
207.08217	2.1
207.10167	7.3
209.09485	1.8
211.07407	3.2
219.07944	4.7
219.10112	5.3
221.05882	5.7
221.09526	2.5
222.06778	5.7
225.09062	4.5
233.05920	2.6
235.07437	3.6
236.08324	2.0
237.09076	7.5
238.06152	2.3
239.07062	2.0
241.12112	2.2
245.05771	2.7
247.07501	1.9
249.09039	6.1
250.06064	2.7
251.07007	3.7
251.10594	3.5
253.08493	6.1
255.10229	1.9
263.10538	2.5
264.07916	2.2
265.08551	19.2
266.09180	2.6
267.10178	6.3
269.08231	2.5
270.08807	3.6
277.08588	8.0
278.09036	2.9
279.10107	5.1
281.07892	3.7
282.08917	2.8
283.09653	6.1
285.11221	9.6
291.09891	3.1
293.08264	2.0
295.09717	4.9
296.10114	2.4
297.11218	25.4
299.12802	4.2
305.11499	3.7
308.10150	2.2
309.11124	6.0
311.12738	22.0
313.10757	2.4
313.14136	3.2
315.12173	6.6
317.13968	3.9
323.12726	10.2
337.14328	22.5
341.13538	2.6
343.15488	4.3
349.14148	5.2
355.15427	21.0
367.11258	2.2
367.15375	12.5
384.60669	1.9
412.85153	1.9
479.20599	6.9
491.20203	2.9
509.21646	4.7
539.19751	3.2
539.27997	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	539.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59472	1.4
58.28204	1.3
58.92143	1.3
66.48638	1.7
67.77040	1.4
69.10670	1.9
69.11069	8.7
75.32374	1.3
79.05479	5.9
81.07048	1.9
81.56109	1.3
87.42287	1.4
91.05453	13.0
93.07049	2.7
94.04167	2.2
95.04986	4.1
103.05450	8.2
105.07030	6.8
107.04945	12.2
107.08548	1.6
115.05461	6.8
116.06185	2.0
117.07033	4.2
119.04931	8.5
119.08517	1.7
121.06507	5.8
122.03613	8.6
123.08026	2.6
128.06213	2.6
129.06993	5.5
131.04903	7.1
131.08556	1.6
133.06465	3.8
135.04361	2.2
135.08028	5.0
136.05229	2.0
137.05957	100.0
143.04892	2.5
143.08533	2.0
144.05693	2.2
145.06468	3.5
146.03584	1.7
146.07263	1.9
147.04437	3.1
147.08028	1.9
148.05191	1.8
149.05949	4.8
149.09601	2.5
151.03909	5.2
151.07516	36.8
153.01807	2.0
157.06474	3.3
160.05132	3.8
161.05949	36.9
161.09525	2.4
163.07510	20.7
165.06979	3.6
165.09094	3.3
167.07007	3.3
174.06793	5.9
175.07535	29.9
176.08261	2.0
177.05499	1.9
177.09085	7.5
179.06972	2.8
179.08394	1.8
180.47171	1.5
181.08594	5.4
185.05978	2.2
187.07535	3.1
189.05482	2.4
189.07362	2.7
189.09012	16.9
191.06981	2.0
191.08516	1.6
193.06551	2.6
193.08467	2.0
194.07265	3.5
195.08226	2.9
195.10100	17.7
197.06027	1.6
199.07605	1.7
204.07780	4.6
205.06525	4.4
205.08458	1.8
206.07184	1.6
207.08223	2.7
207.10199	8.9
209.09496	1.9
210.06729	4.0
211.07686	2.6
217.06593	1.9
217.08543	3.2
219.08156	2.8
219.10196	4.4
221.05966	4.3
222.06760	5.5
225.09047	4.0
234.06816	2.7
235.07507	2.5
236.08200	1.9
237.09085	8.5
239.06964	2.2
239.10706	2.6
247.07635	2.4
248.08348	2.1
249.09111	6.3
250.06285	2.0
251.07033	1.8
251.10725	3.1
253.08488	4.2
254.09256	1.6
255.06377	2.6
262.06219	2.0
265.08591	17.8
266.09296	2.1
267.10168	4.6
269.08038	2.1
270.08926	2.7
277.08502	9.0
277.11545	1.5
279.10040	4.2
281.08102	4.4
281.11514	2.3
283.09540	4.5
284.10236	2.0
285.11127	10.7
291.09921	3.7
293.11682	2.2
295.09772	3.2
296.10327	1.9
297.11160	26.2
299.12836	2.9
305.11667	2.3
308.10443	3.7
309.11191	6.2
310.11829	1.9
311.12701	21.3
313.10574	2.3
315.12317	7.6
317.13858	4.5
323.12692	9.6
325.14264	2.0
329.13791	2.7
337.14270	16.9
341.13687	6.1
343.15277	3.4
349.14178	6.2
355.15378	28.2
367.15326	14.1
379.15717	2.0
435.18106	1.6
447.18304	1.9
461.19373	2.5
479.20438	5.2
491.20770	2.5
509.21442	5.6
539.18347	2.2
539.26978	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	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82583	0.1
67.05478	0.4
67.84874	0.2
69.19798	0.8
69.20213	0.4
73.63692	0.1
76.93604	0.2
79.05451	0.2
81.07045	0.2
91.05791	0.3
93.06992	0.2
95.08619	0.2
98.22717	0.4
98.23399	0.5
107.08503	0.2
111.04406	0.1
123.39789	0.1
160.35759	0.2
171.11679	0.2
185.04227	0.3
203.05257	0.8
249.28223	0.2
259.07993	0.5
279.57181	0.2
287.47324	0.2
321.22821	0.2
539.31830	100.0
540.32153	3.7
567.26678	0.2
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
63.69951	0.3
69.37325	1.3
123.01708	0.3
168.43555	0.3
495.86209	0.3
539.31848	100.0
540.32208	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	539.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79852	0.8
51.02371	1.1
53.03945	2.3
55.01865	2.6
55.05510	17.2
57.03440	4.5
57.07065	1.9
59.05013	1.4
65.03941	2.5
67.05502	36.1
69.07063	15.3
70.91750	0.9
70.92097	0.8
71.04985	2.5
75.36622	0.8
77.03925	1.3
79.05492	30.5
80.14542	0.8
81.03402	1.3
81.07051	30.1
83.04975	3.0
83.08613	6.4
85.06528	1.2
86.69695	0.9
87.72728	0.8
91.05473	35.0
93.07040	26.9
93.39635	0.8
95.04968	6.8
95.08600	19.0
97.06544	4.0
97.10167	2.9
103.05492	1.0
105.04553	1.6
105.07021	27.8
107.08589	10.4
109.06512	2.0
109.10149	6.3
109.96857	0.9
111.08080	1.6
113.09597	0.8
115.05457	2.8
117.07004	13.4
118.06436	0.8
119.08569	20.4
120.27036	1.0
121.06479	1.6
121.10139	6.9
123.08069	2.0
123.11726	1.2
125.09631	1.3
128.06190	4.9
129.05515	1.2
129.06999	18.3
130.07797	1.7
131.08563	20.6
133.10127	10.4
135.11703	3.5
137.09578	1.4
141.06975	7.2
142.07777	4.8
143.08562	14.6
144.09283	1.1
145.06477	1.3
145.10118	17.2
147.08022	1.3
147.11688	10.8
149.09541	1.1
149.13333	0.8
153.07010	3.3
154.07794	3.4
155.08537	17.3
156.09311	1.8
157.10136	15.4
159.08051	0.8
159.11685	9.2
161.09578	1.5
161.13246	3.9
163.14848	0.8
165.06990	2.2
166.07794	2.4
167.08525	9.7
168.09341	2.9
169.10127	19.1
171.11671	14.5
173.13203	5.3
175.14819	1.6
178.07755	0.9
179.08614	3.5
180.09357	1.4
181.10121	14.2
182.10950	2.7
183.11670	16.0
184.12553	0.9
185.13205	8.2
185.14413	0.7
187.14827	1.9
189.12747	1.2
193.10133	5.4
194.10928	1.3
195.11690	14.6
197.13239	12.3
199.11159	1.3
199.14839	4.9
205.10190	3.4
207.11713	5.2
207.13867	2.5
209.13274	8.0
209.15276	1.1
210.13927	1.1
211.14812	7.2
213.16458	3.9
219.11662	2.2
221.11340	0.9
221.13069	4.2
223.14874	5.6
225.16409	3.6
233.13263	2.7
235.14810	2.9
237.16447	3.7
239.17990	1.3
241.19525	2.9
244.61209	0.8
247.17096	1.1
249.16388	1.6
251.17928	2.0
253.15933	0.9
255.17561	1.6
257.18954	1.7
259.20383	4.4
261.16473	1.4
263.17960	0.9
277.19424	0.9
283.20468	1.3
295.20642	1.2
307.20609	1.8
309.22141	2.2
311.20081	1.0
313.21985	1.1
315.23175	3.3
321.22159	2.8
323.23758	2.1
325.21585	1.7
327.23233	1.2
335.23383	3.8
337.25211	1.7
339.23233	1.5
341.24625	1.7
349.25232	2.1
367.26352	1.5
419.33121	1.5
429.31512	4.5
447.32535	18.5
465.33621	8.8
483.34631	6.1
485.33798	1.1
503.35025	2.6
515.08258	0.9
521.36395	11.1
539.37299	100.0
540.37427	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	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73460	2.1
53.03936	3.0
55.01871	28.9
55.05509	28.0
57.03424	4.1
57.07073	76.0
57.50903	2.6
59.54255	2.0
63.91998	2.0
65.03944	2.6
67.05499	43.8
69.03430	12.5
69.07064	20.9
70.06582	3.4
70.15859	2.1
71.05003	2.8
71.08224	2.9
71.08621	53.4
71.08984	4.3
71.42477	2.3
73.02915	5.4
73.06544	2.8
79.05482	25.8
81.03422	8.0
81.07050	47.1
81.07497	4.1
82.04208	9.5
83.04980	15.6
83.08615	24.8
85.06552	2.9
85.10178	26.6
89.06026	36.6
91.05457	22.3
93.07027	19.0
95.04965	16.2
95.08594	48.7
97.02855	3.2
97.06547	8.9
97.10166	16.8
98.07304	7.0
99.11751	2.9
105.07051	10.9
105.54758	2.3
107.04958	7.3
107.08601	9.6
109.06551	3.5
109.10154	21.6
111.04420	4.1
111.08074	4.8
117.07005	3.7
119.08611	9.6
121.10136	7.8
123.08099	6.6
123.11732	10.2
124.60396	2.6
125.09630	4.4
125.13284	3.0
127.11195	5.0
129.06981	5.0
131.08606	4.3
133.08595	15.9
133.10146	6.7
135.08015	3.1
135.11708	5.6
137.09615	3.4
137.13255	2.4
145.10158	6.4
147.11700	6.6
149.09601	2.9
157.10123	3.7
158.05779	10.1
159.11688	3.7
163.11266	5.5
164.11934	3.7
171.06516	12.6
177.11229	4.2
192.11499	2.6
209.11827	7.0
227.12828	8.3
239.23634	15.0
242.15192	3.0
255.15994	10.0
256.26453	7.0
269.17505	4.6
283.19049	3.7
297.20575	4.5
311.22238	11.8
311.29398	5.4
313.27542	7.0
339.25400	2.9
367.28516	25.7
381.29840	5.1
395.31683	9.7
409.33148	6.1
438.36990	6.1
493.38736	3.2
521.38367	3.6
539.39386	100.0
540.40027	3.9
540.53235	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	540.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76317	0.4
69.03410	1.6
69.52263	1.0
69.52657	0.9
81.03413	1.0
85.02904	1.2
88.66055	0.5
91.05464	0.8
95.04968	1.0
97.02882	100.0
98.03214	0.6
100.11224	0.8
103.05465	0.5
105.03375	9.5
121.06486	0.6
125.02303	0.9
131.04900	1.4
137.05989	4.8
138.06291	0.7
151.07529	2.1
161.05965	1.0
163.07515	3.6
167.07069	0.6
175.07570	1.8
177.09087	10.2
193.04964	2.1
195.08046	0.7
211.05954	0.8
219.06425	2.3
221.11682	1.1
227.10681	0.7
227.17320	0.5
229.06966	0.7
237.07520	3.1
255.10074	0.9
285.11044	0.7
287.12790	1.1
298.47302	0.6
313.14240	1.0
331.15283	4.1
333.09802	0.8
351.10703	3.1
540.21283	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	540.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40998	0.6
53.68746	0.6
55.01863	2.8
57.03427	6.8
57.87527	0.6
61.02930	4.8
61.53344	0.8
65.03928	2.3
69.03422	10.2
69.21207	1.8
69.21625	2.8
71.01341	1.4
73.02911	21.8
79.05494	1.6
81.03403	1.6
85.02400	1.4
85.02900	20.4
87.04449	1.9
91.05471	100.0
92.05786	0.9
95.04972	1.0
95.08638	0.7
97.02884	15.9
99.04468	1.2
103.03957	1.0
105.07046	0.8
107.04951	16.5
109.02883	1.4
115.03916	6.9
121.06470	1.4
127.03893	6.7
133.04955	9.7
133.10141	0.8
145.04935	6.3
149.06012	0.7
153.01866	0.8
163.06013	2.4
191.14357	1.0
223.05959	0.9
229.08557	3.8
241.07104	1.2
379.10214	0.7
475.28110	0.7
496.18900	1.1
522.32135	0.8
540.28760	3.9
541.20728	3.1
541.29626	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	540.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	3.7
79.05479	5.7
85.02888	6.8
91.05481	8.7
105.07017	7.3
107.08595	20.5
109.06477	5.4
115.05473	4.8
123.11657	3.5
132.80191	3.4
135.08047	100.0
137.06027	5.4
153.01807	12.7
163.07549	43.9
171.02901	3.6
174.06776	8.8
177.09042	3.8
181.08577	31.4
189.09088	10.2
219.10146	37.9
230.96086	3.6
249.17389	3.9
343.13724	27.0
472.47379	3.6
540.14001	4.4
540.21240	10.9
541.16736	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	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25252	0.5
63.42514	0.6
69.17722	2.9
80.44214	0.6
85.02895	1.3
91.05470	2.3
94.04166	0.6
103.05447	6.4
107.04958	0.8
116.03283	0.5
117.06990	1.7
119.04880	1.5
121.06506	1.5
122.03627	1.0
129.07010	0.9
131.04916	13.9
131.35870	0.6
135.08087	0.6
136.40393	0.6
137.05959	21.2
149.05945	1.9
151.07524	12.5
161.05963	2.3
162.06752	2.3
163.07527	38.8
165.06995	0.8
165.09076	0.8
167.08597	1.1
174.06720	0.7
175.07524	2.5
177.09087	100.0
178.09419	2.5
189.09122	3.7
191.37871	0.6
195.08031	2.7
195.10161	2.2
197.06024	0.7
201.83746	0.7
203.10547	1.0
207.10158	0.8
209.09483	0.6
221.05945	0.8
221.09644	0.7
221.11699	13.8
223.07375	1.1
225.08989	1.2
227.10686	3.6
227.28780	0.6
237.09059	0.9
249.09027	0.9
253.08563	1.7
253.12216	1.7
255.10143	3.1
265.08606	1.4
267.10144	0.9
285.11151	2.0
287.12744	5.2
293.11655	0.7
299.12857	1.2
311.12759	2.0
313.14304	4.7
331.15378	14.3
332.15683	0.8
343.15475	2.5
564.81573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98367	1.7
69.03406	2.4
70.71064	1.7
70.99818	2.5
78.63784	1.8
79.05480	2.1
85.02894	3.0
91.05481	8.3
95.04951	3.0
96.45247	2.0
103.05457	6.8
105.07052	2.4
107.04964	3.7
107.82834	2.1
109.06474	2.7
119.04903	4.8
122.03625	4.7
129.07011	2.8
131.04895	17.5
133.06412	3.1
135.07962	3.2
137.05960	43.0
149.06009	5.8
151.07523	40.2
157.06468	3.7
161.05995	7.4
162.06767	4.2
163.07524	39.9
164.07860	2.3
165.09050	1.9
167.07019	13.4
167.08521	5.0
174.06683	2.9
175.07561	8.6
177.09088	100.0
178.07622	2.5
189.09093	8.4
195.08063	5.3
195.10101	3.0
207.07961	2.6
220.52814	2.1
221.09766	4.1
221.11678	14.7
223.07573	2.7
227.10742	9.7
253.08670	3.6
253.12257	3.4
255.10196	8.5
267.10062	3.1
281.11725	4.2
285.11212	5.3
287.12717	19.3
293.11633	2.0
311.12808	4.5
313.14294	20.2
331.15317	52.0
343.15494	3.1
540.28394	2.0
541.21936	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	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62860	1.5
57.03444	2.1
66.85210	1.5
69.58765	3.1
73.02934	1.9
91.05479	2.1
103.05431	2.3
105.06989	7.3
107.04952	2.0
117.07014	2.4
131.04932	1.8
133.06497	6.1
137.05998	3.5
151.07552	7.0
161.05954	8.3
163.07520	3.1
167.07019	10.8
169.17618	1.7
175.07492	4.3
177.09084	100.0
178.09370	2.0
181.08597	7.0
189.09109	3.9
193.08585	39.7
195.10201	3.4
221.11697	13.6
255.06102	1.6
283.09726	2.1
343.15521	2.2
361.16345	14.6
373.16434	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	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37484	1.2
61.02935	1.4
68.00400	1.2
69.03417	2.1
69.15685	8.0
71.44308	1.1
83.64129	1.3
85.02884	4.6
91.05460	9.1
92.05904	1.3
95.04936	2.4
103.05492	1.4
105.06976	1.5
107.04932	1.5
107.08598	2.1
109.06466	1.5
119.04920	5.8
121.06483	2.2
121.10088	1.3
122.03644	2.6
127.03888	2.3
128.06165	3.4
129.06966	10.4
131.04915	4.0
131.08531	6.5
133.06403	1.3
133.10046	1.6
135.08015	2.4
137.05963	35.6
141.06970	6.7
145.06465	1.6
149.05962	4.0
151.06340	2.5
151.07524	42.6
152.75534	1.2
153.01830	3.7
157.06497	8.1
158.07297	1.6
159.08031	5.9
161.05940	6.0
161.09561	2.2
163.07523	8.4
165.07047	1.5
165.09108	2.2
167.08537	3.8
169.06406	2.9
174.06764	13.9
175.07507	4.6
175.26964	1.2
177.09074	3.2
178.07762	1.3
186.06706	2.5
189.09082	33.0
191.10664	2.5
191.14375	2.2
193.10245	1.9
195.08073	8.6
201.09029	7.2
207.10092	3.4
209.09550	1.8
219.10141	100.0
220.10490	1.9
221.05992	3.5
221.09579	4.0
223.07529	5.2
225.09105	3.1
227.10648	14.1
238.09772	1.4
240.07727	1.7
249.09169	2.6
253.08607	4.6
253.12238	6.1
255.10147	11.5
267.10083	2.2
270.08887	1.5
272.10446	1.5
281.11749	1.9
285.11227	9.6
287.12772	23.5
301.14236	1.6
302.65503	1.6
313.14285	24.1
331.15335	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.5
69.03427	1.3
69.71246	0.5
71.42822	0.5
81.03403	1.1
82.30093	0.5
85.02898	4.0
91.05448	1.2
94.35025	0.5
97.02866	1.6
115.05492	1.1
121.05178	0.5
129.06990	5.3
131.04878	1.7
131.08556	6.1
135.07961	0.8
137.05966	2.2
141.06956	3.9
145.04935	1.5
157.06483	4.4
158.07216	2.5
159.08032	5.3
160.05244	1.0
162.07581	0.7
163.07472	1.8
169.06474	2.0
170.07170	1.3
174.06738	12.2
175.07521	2.3
180.08664	1.1
186.06740	2.7
188.08235	1.0
189.09091	24.0
189.10846	1.1
190.09502	0.7
191.10693	1.8
201.09073	7.9
219.10143	100.0
220.10480	1.7
237.11275	1.4
243.76131	0.6
540.18243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.5
69.03427	1.3
69.71246	0.5
71.42822	0.5
81.03403	1.1
82.30093	0.5
85.02898	4.0
91.05448	1.2
94.35025	0.5
97.02866	1.6
115.05492	1.1
121.05178	0.5
129.06990	5.3
131.04878	1.7
131.08556	6.1
135.07961	0.8
137.05966	2.2
141.06956	3.9
145.04935	1.5
157.06483	4.4
158.07216	2.5
159.08032	5.3
160.05244	1.0
162.07581	0.7
163.07472	1.8
169.06474	2.0
170.07170	1.3
174.06738	12.2
175.07521	2.3
180.08664	1.1
186.06740	2.7
188.08235	1.0
189.09091	24.0
189.10846	1.1
190.09502	0.7
191.10693	1.8
201.09073	7.9
219.10143	100.0
220.10480	1.7
237.11275	1.4
243.76131	0.6
540.18243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10196	4.5
81.79148	0.6
91.05454	1.7
119.69702	0.6
129.06972	5.4
131.04930	2.0
131.08546	6.1
137.05981	3.1
141.06979	4.5
143.08504	0.7
145.06464	1.0
147.04384	1.6
151.07507	1.5
153.01819	1.5
157.06499	4.6
158.07208	1.5
159.08044	5.2
160.05190	0.7
161.05966	1.0
161.09578	1.0
163.07520	1.8
167.07072	0.7
169.06436	1.8
170.07233	1.0
174.06752	12.3
175.07542	4.6
177.09128	0.8
186.06775	3.8
188.08188	0.9
189.09077	25.8
191.10687	1.8
201.09058	8.8
207.10143	1.1
219.10135	100.0
220.10529	1.8
237.11191	1.9
249.11168	1.2
316.75595	0.8
330.73285	0.7
331.15381	2.4
473.69986	0.8
539.41467	0.8
540.21307	4.8
540.41296	0.9
541.22266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
55.05504	8.7
57.03436	8.7
57.07081	2.1
67.05497	5.0
69.03429	6.1
71.04988	58.8
71.42989	1.8
73.02916	2.7
75.04479	9.7
79.05476	3.1
81.03415	3.6
81.07059	8.4
83.04980	10.4
83.08618	5.1
83.20968	1.8
85.02895	100.0
85.06532	3.9
86.03252	2.0
86.06052	2.7
91.05447	3.7
95.04983	2.5
95.08603	7.7
95.49994	1.7
97.02893	9.1
97.06536	2.4
97.10159	2.1
99.04426	3.4
100.11249	18.4
101.05986	2.0
105.07032	3.8
107.04963	3.0
109.02898	3.1
109.10128	8.6
111.04462	8.6
114.09157	13.6
123.11720	6.3
127.03927	8.7
129.05466	42.1
129.06923	2.2
131.08533	2.1
135.08083	2.6
137.05978	18.2
137.13199	3.4
138.06323	5.2
142.08629	7.6
145.04980	6.4
147.04431	3.2
147.06512	29.8
151.03854	3.7
151.07524	5.5
153.01770	11.4
153.05383	2.2
154.02312	1.7
156.13844	7.0
157.06569	2.1
161.05980	7.5
161.09726	1.9
162.06337	3.1
163.06113	2.5
163.07562	6.6
164.09204	4.6
165.07538	2.3
167.07047	2.6
175.07559	8.1
176.07863	3.2
179.17958	8.5
182.15410	8.7
189.09109	5.2
197.19022	7.4
207.10139	2.9
210.14859	11.2
211.09616	3.2
222.49146	1.9
241.18999	2.4
258.21585	3.8
273.09653	2.4
283.20157	3.9
309.11746	2.2
338.14417	2.0
399.33279	5.3
416.77814	2.0
522.39429	4.3
540.20648	2.4
540.29407	2.1
540.32422	2.3
540.40906	21.9
541.21979	7.9
541.29590	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	540.9878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74978	0.3
55.84500	0.3
56.96562	7.3
67.34248	0.3
69.78835	0.3
71.87852	0.4
80.90704	0.3
98.97572	74.2
116.98611	42.0
120.38750	0.4
122.11565	0.3
130.93306	0.4
131.15445	0.4
134.99648	12.1
140.00160	0.4
153.00652	1.2
172.94350	2.8
190.95399	3.1
208.96460	1.2
214.42522	0.4
214.95361	2.4
230.98547	0.4
232.96452	6.8
240.98645	0.4
250.97516	3.3
256.96399	16.0
258.97189	0.7
258.99759	8.1
274.97473	100.0
275.97867	1.7
276.98068	0.4
277.00797	9.8
290.95313	0.8
292.98532	58.4
293.98843	1.4
297.99139	1.1
298.97644	0.8
299.97678	0.5
301.01123	0.6
310.99524	0.7
316.00021	0.7
316.98785	1.9
332.96631	0.6
374.97787	0.6
382.99780	1.0
398.97568	17.1
399.97891	1.1
401.00940	1.8
416.98624	43.8
417.98969	2.2
432.96573	0.7
434.99762	8.2
436.00192	0.4
440.00323	0.7
456.96619	1.4
474.88565	0.4
474.97299	0.4
522.97583	0.4
540.98755	10.1
541.98828	1.0
558.95850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2048
Annotation	Methyl aloesinyl cinnamate
Peak:m/z	Relative Intensity
55.05517	1.8
56.96547	1.7
61.39326	1.3
67.05483	2.1
71.04971	1.5
79.05433	1.4
81.07045	2.4
91.05448	3.1
95.04953	1.7
95.08585	1.8
105.07001	1.8
107.04996	1.4
107.90220	1.3
109.10135	1.8
109.84451	1.4
115.34607	1.3
119.08627	1.8
121.06491	2.3
130.84320	1.2
131.08539	2.1
137.05991	5.4
141.02214	2.1
144.29025	1.4
159.03195	1.7
161.09727	1.3
162.06148	1.3
163.07553	1.6
165.09099	2.7
167.07016	4.6
177.09146	4.5
178.09457	3.4
181.08691	1.7
189.09058	2.6
193.08632	2.6
194.08856	1.6
211.43703	1.4
215.48953	1.6
221.11845	2.1
223.10138	2.8
241.11279	1.4
268.13196	1.6
293.14075	2.2
335.15292	5.0
347.10468	1.4
361.16150	1.6
361.47424	1.7
362.16833	2.5
409.15402	2.5
421.15988	1.8
421.85907	1.6
453.15259	5.9
497.21445	16.9
505.18082	2.6
523.19421	28.5
541.20343	100.0
541.29504	28.8
541.89026	1.9
542.20697	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	541.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	1.0
68.43180	0.9
70.23983	1.4
79.05476	1.2
81.07041	2.0
83.08605	0.9
85.02898	1.1
91.05473	1.0
93.07030	1.3
95.08566	1.4
105.07044	1.0
107.08591	1.3
109.02863	1.2
109.10120	1.4
111.04404	0.8
119.08627	1.0
120.98225	0.8
121.10178	1.0
126.09119	1.0
131.04904	1.4
143.08505	0.8
169.09686	1.8
182.28081	0.8
225.10956	1.9
293.17288	6.0
317.49835	0.9
318.11539	0.9
361.23511	1.2
379.24414	1.0
387.16177	2.5
425.59943	0.9
497.21405	15.7
523.19635	1.5
541.20355	100.0
541.29504	35.6
542.20911	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	541.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35118	0.5
59.71481	0.6
62.60031	0.5
67.05500	0.7
68.55560	0.5
69.39801	2.7
71.05001	0.5
73.72136	0.5
75.21044	0.5
75.24027	0.6
79.01620	0.7
79.05515	0.6
80.18943	0.5
81.07065	0.9
83.08643	0.7
93.07070	0.8
95.01094	2.4
95.04977	0.7
95.08640	0.6
97.45108	0.6
98.23475	1.0
105.07043	0.7
109.10204	0.9
112.01328	0.6
113.02146	1.2
117.56134	0.6
119.08572	0.7
121.10135	0.6
122.09673	0.9
127.03892	0.8
135.11711	0.8
137.05963	1.1
141.05270	2.3
149.13353	0.6
151.07541	0.7
153.01822	1.9
163.07561	1.0
167.03293	0.6
167.07115	0.6
169.04819	0.6
177.09081	2.6
178.09482	1.3
185.04289	1.3
191.10551	0.6
193.15887	0.8
194.18292	0.7
199.05800	1.7
203.05281	0.8
227.05283	2.2
243.04839	1.5
245.06445	2.0
275.16217	0.7
293.17191	6.8
321.16687	4.7
329.12219	1.3
331.10257	1.7
346.84286	0.6
361.23666	0.8
367.16940	0.6
385.18369	5.5
404.44180	0.6
427.19418	7.7
437.21396	3.8
455.22479	18.0
471.18292	1.0
479.22568	2.5
497.23535	48.2
498.23770	2.1
523.21448	4.7
541.22516	100.0
541.29718	9.0
542.22638	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	541.2261
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.35118	0.5
59.71481	0.6
62.60031	0.5
67.05500	0.7
68.55560	0.5
69.39801	2.7
71.05001	0.5
73.72136	0.5
75.21044	0.5
75.24027	0.6
79.01620	0.7
79.05515	0.6
80.18943	0.5
81.07065	0.9
83.08643	0.7
93.07070	0.8
95.01094	2.4
95.04977	0.7
95.08640	0.6
97.45108	0.6
98.23475	1.0
105.07043	0.7
109.10204	0.9
112.01328	0.6
113.02146	1.2
117.56134	0.6
119.08572	0.7
121.10135	0.6
122.09673	0.9
127.03892	0.8
135.11711	0.8
137.05963	1.1
141.05270	2.3
149.13353	0.6
151.07541	0.7
153.01822	1.9
163.07561	1.0
167.03293	0.6
167.07115	0.6
169.04819	0.6
177.09081	2.6
178.09482	1.3
185.04289	1.3
191.10551	0.6
193.15887	0.8
194.18292	0.7
199.05800	1.7
203.05281	0.8
227.05283	2.2
243.04839	1.5
245.06445	2.0
275.16217	0.7
293.17191	6.8
321.16687	4.7
329.12219	1.3
331.10257	1.7
346.84286	0.6
361.23666	0.8
367.16940	0.6
385.18369	5.5
404.44180	0.6
427.19418	7.7
437.21396	3.8
455.22479	18.0
471.18292	1.0
479.22568	2.5
497.23535	48.2
498.23770	2.1
523.21448	4.7
541.22516	100.0
541.29718	9.0
542.22638	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	541.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.3
67.05495	0.7
69.11041	3.5
70.06585	0.8
80.22879	0.6
80.72144	0.5
81.07017	0.5
88.07628	0.9
98.23568	0.7
98.92496	0.5
136.57588	0.5
152.38737	0.6
178.85797	0.5
201.16237	0.6
201.76149	0.5
203.05307	0.6
215.03070	0.5
250.51402	0.5
256.26324	1.4
311.29407	1.7
312.29688	0.5
343.96268	0.6
433.57401	0.6
540.53668	2.5
541.33344	100.0
541.53735	2.0
542.33478	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	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35843	0.4
57.07063	1.2
63.17108	0.4
68.23646	0.4
69.21544	2.6
70.06575	1.0
71.08617	0.8
88.07627	1.4
89.06003	0.4
90.14902	0.4
92.11550	0.4
98.23243	1.7
102.09164	1.2
220.80214	0.4
232.86420	0.4
233.69774	0.4
256.26334	2.6
257.26685	1.2
283.26385	0.7
284.29465	0.7
311.29288	2.1
312.29852	0.9
358.21835	0.4
360.76569	0.5
540.53448	4.9
541.33362	100.0
541.53186	4.3
542.33691	4.7
561.41602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01629	0.9
53.03948	7.1
53.49426	1.0
55.01870	14.8
55.05510	26.7
57.03435	6.1
57.07069	2.1
59.04986	1.3
61.87634	0.9
65.03943	4.5
67.05502	58.7
69.03441	4.4
69.07063	40.3
71.01331	1.0
71.04984	3.5
77.03922	2.3
79.05122	0.6
79.05489	54.8
81.03414	100.0
81.07053	66.1
83.04981	10.0
83.08612	21.0
85.06553	1.9
91.05475	78.5
93.07040	42.6
95.01328	16.0
95.04036	1.1
95.04963	36.7
95.08602	40.7
96.59673	0.9
97.02907	3.5
97.06526	24.4
97.10157	6.6
99.08084	1.5
103.05479	2.3
105.04525	2.4
105.07024	82.5
107.04948	32.8
107.08585	24.8
109.06515	7.5
109.10143	9.1
111.04430	1.6
111.08086	8.6
115.05465	4.0
116.06228	1.5
117.07021	21.9
119.04951	2.1
119.08577	49.2
121.06506	6.9
121.10123	13.5
123.04420	3.7
123.08067	6.1
123.11723	2.3
125.09626	5.1
127.56410	1.0
128.06236	2.9
129.06998	14.3
130.07851	1.2
131.08563	36.9
133.06487	4.9
133.10124	51.2
134.10567	1.0
135.08020	4.9
135.11662	10.3
137.09631	3.1
141.06999	4.4
142.07733	4.9
143.08562	7.4
145.06500	3.4
145.10118	22.1
147.07982	5.8
147.11676	24.1
149.09616	12.0
149.13254	5.8
151.11174	1.7
155.08582	3.4
157.10120	13.3
159.08064	1.0
159.11688	15.4
161.13258	6.6
163.11163	8.4
163.14864	1.0
165.09174	1.9
165.12672	2.2
169.10144	5.7
171.08102	1.6
171.11665	6.3
173.13322	5.2
175.11192	6.9
177.12750	4.4
179.08420	1.0
179.14302	19.8
181.10158	1.5
181.12285	1.5
183.11688	5.1
185.09625	1.3
185.13254	3.0
187.11249	4.7
187.14906	1.8
189.12801	1.2
193.12230	15.8
195.11780	1.7
197.13284	2.9
201.12686	1.5
205.12306	2.5
207.11850	1.2
207.13831	1.8
209.13161	2.4
211.14919	1.5
213.16359	1.1
215.14357	1.0
215.17914	1.6
223.13147	1.2
227.12701	6.6
229.19434	2.1
239.17848	2.7
241.14417	2.1
247.16837	1.4
247.20645	2.7
249.14853	4.7
257.18964	9.6
267.15848	1.7
275.20056	87.1
276.20319	1.7
293.21039	7.4
297.22076	2.0
307.19205	1.2
315.23294	1.3
349.23764	2.1
368.29559	1.0
431.29529	1.7
449.30365	3.7
467.31418	3.0
485.32422	1.8
523.34143	3.8
541.35199	82.7
542.35614	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	541.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.8
51.88306	1.3
52.58748	1.1
53.03942	7.8
55.01868	18.9
55.05508	33.9
57.03432	5.8
65.03933	5.3
67.05501	65.0
69.03419	4.0
69.07063	41.3
69.07442	2.3
70.66071	1.7
71.04992	3.8
77.03919	2.6
79.05489	60.1
81.03413	100.0
81.07051	72.6
83.04974	15.0
83.08614	23.4
85.06545	3.7
91.05475	88.5
93.07040	44.0
95.01330	15.9
95.04964	45.0
95.08596	40.9
97.02895	2.6
97.06528	26.5
97.10154	8.5
99.08103	1.4
103.05469	4.2
105.04520	4.4
105.07021	93.1
107.04945	28.6
107.08586	25.3
109.06494	8.3
109.10143	15.7
111.04436	2.0
111.08059	9.3
113.09634	1.6
115.05428	6.6
117.07008	23.1
119.04944	2.4
119.08572	51.0
119.09422	2.7
121.06496	7.8
121.10139	14.6
123.04444	3.6
123.08044	8.6
123.11670	2.7
125.09645	5.4
128.06219	3.5
129.07001	17.4
131.08556	35.8
133.06505	5.1
133.10120	47.6
135.08029	5.9
135.11674	8.5
137.05991	1.6
137.09657	4.8
139.07541	2.3
141.06914	5.9
142.07808	5.5
143.08560	10.6
145.06473	5.6
145.10117	25.3
147.08083	5.0
147.11665	25.2
149.09602	12.5
149.13275	5.1
151.11182	3.6
154.07779	1.7
155.08542	6.8
157.10121	14.7
159.08072	1.8
159.11684	15.5
161.09624	1.7
161.13240	8.3
163.11130	6.8
163.14955	1.5
165.06978	1.5
165.09145	3.1
165.12772	3.7
167.08585	2.1
169.10080	7.3
171.08049	1.5
171.11708	6.7
173.09579	1.9
173.13266	5.1
175.11136	9.5
175.12376	1.2
177.12805	5.1
179.14291	20.6
181.10184	3.9
183.11703	8.0
185.09727	1.7
185.13310	3.9
187.11214	5.3
189.11201	2.8
189.12761	1.7
193.10385	1.8
193.12207	18.2
195.11713	2.4
197.13254	4.7
201.12831	1.7
205.10397	1.5
205.12245	3.7
205.15811	1.1
207.11658	2.2
209.13246	3.0
211.14896	2.3
213.16362	1.5
215.14360	1.3
219.13849	1.8
219.17451	3.2
222.72365	1.1
223.14893	1.5
227.12892	1.2
229.19585	2.1
239.17816	2.9
247.20671	4.1
249.14903	2.3
257.19022	9.7
267.15979	2.7
275.20035	94.4
276.20374	3.0
293.21121	8.6
295.20239	1.7
297.22110	1.9
313.21640	1.3
349.24042	2.6
421.30988	1.4
431.29556	2.8
449.30679	5.0
467.31766	4.2
485.32657	2.5
523.34460	3.0
541.35211	85.0
542.35431	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	541.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01871	5.8
55.05505	23.8
56.05854	0.6
57.03432	3.9
57.07064	1.9
59.04995	1.1
60.54231	0.7
65.03928	1.9
67.05498	29.9
67.05865	1.5
69.03417	2.4
69.06707	0.9
69.07062	11.0
71.04977	1.9
76.82300	0.5
77.03905	0.7
79.05483	27.7
81.03408	15.8
81.07044	24.6
82.07394	0.7
83.04980	5.0
83.08615	11.7
85.06527	1.7
87.04443	0.6
91.05470	27.2
92.05788	0.8
93.07038	16.8
94.07361	0.9
94.41876	0.6
95.01336	0.6
95.04961	10.3
95.08597	12.3
97.02845	0.8
97.06524	4.1
97.10159	14.1
99.08070	0.8
103.05437	1.0
105.04512	1.5
105.07018	21.5
106.07306	0.7
107.04937	5.9
107.08582	13.2
108.03400	0.6
109.06476	3.4
109.10131	7.2
111.04457	0.8
111.08046	1.7
115.05449	3.2
116.06242	0.7
117.07002	12.7
119.04988	0.6
119.08569	16.3
119.97642	0.6
121.06497	1.8
121.10136	5.2
123.08049	2.2
123.11674	0.8
125.09605	9.0
128.06181	3.9
129.06996	12.5
129.07957	0.7
130.07736	0.7
131.05029	0.6
131.08560	17.8
133.06485	2.1
133.10114	11.4
135.08054	2.6
135.11690	3.6
137.09586	1.3
141.06958	4.8
142.07759	4.9
143.08546	12.7
145.06480	2.5
145.10098	12.7
146.10501	0.6
147.08026	2.2
147.11656	6.6
149.09601	3.3
149.13248	1.2
153.07031	1.4
153.09114	1.4
153.12680	1.0
154.07739	1.9
155.08540	8.1
156.09074	0.8
157.06464	1.7
157.10101	13.3
159.08043	2.5
159.11676	9.3
160.08684	0.7
161.09631	1.6
161.13242	1.8
161.30899	0.6
163.11179	3.9
165.06966	0.9
167.08571	4.5
168.09286	1.2
169.10109	10.5
170.10655	0.8
171.08040	3.1
171.10262	0.7
171.11656	10.6
173.09641	3.3
173.11816	1.3
173.13246	3.9
175.11191	1.8
177.12605	1.2
178.07845	1.0
179.08585	2.0
179.14322	1.2
180.09369	1.0
181.10104	5.7
181.11617	0.7
181.12177	0.6
182.10799	1.1
182.31081	0.6
183.08087	1.6
183.11656	9.9
184.12250	0.6
185.09647	3.0
185.13249	7.6
187.11168	2.7
187.14745	1.2
189.11206	4.7
189.12672	1.1
192.09296	0.6
193.10139	2.7
193.12238	3.5
195.08043	0.7
195.11649	5.3
197.09563	2.1
197.13232	5.0
198.10445	0.8
199.11182	2.1
199.14812	2.2
201.12680	1.1
205.10114	1.8
207.11711	3.6
209.09671	0.9
209.13242	4.3
211.11125	1.1
211.14804	2.3
213.12743	1.2
213.16466	1.5
218.10876	0.8
219.11693	1.1
221.13208	2.8
223.11186	0.6
223.14772	1.8
225.12758	1.8
225.16351	1.6
227.12637	4.5
229.19495	0.8
233.13292	1.1
235.14784	1.7
237.16438	1.6
239.14287	1.2
239.17889	1.4
245.13171	0.6
257.18890	2.8
259.20505	1.1
263.17996	0.9
267.15942	1.0
271.16733	0.7
275.20035	10.3
279.21115	1.0
281.18958	1.7
283.20480	0.7
295.20395	1.4
297.18695	1.0
297.22028	8.7
307.20538	1.1
313.21286	1.2
315.23264	1.1
323.19968	1.0
325.21777	1.1
331.22733	1.5
337.21713	0.8
339.23071	0.9
341.21014	1.1
353.24796	1.1
355.22717	1.0
413.28415	1.6
421.31238	0.9
431.29422	5.1
439.31531	0.7
449.30347	9.6
467.31427	6.1
485.32480	3.6
505.32858	1.2
513.35327	1.4
523.34064	10.8
541.35150	100.0
542.35693	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	541.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
53.05809	0.6
54.20907	0.7
55.01871	4.3
55.05509	23.3
57.03432	3.4
57.07067	1.7
65.03946	1.4
67.05502	28.9
67.05864	1.4
69.03429	1.6
69.07065	10.7
69.86465	1.6
69.86823	1.2
71.04984	1.1
71.08620	1.2
73.02927	1.2
79.05487	22.6
79.05949	1.4
81.03410	13.5
81.07047	24.0
81.75414	0.7
83.04970	4.0
83.08614	10.0
85.06532	2.1
89.06046	0.9
91.05475	23.5
92.05862	0.9
93.07039	17.1
93.07605	1.2
94.07373	0.9
95.01310	1.2
95.04967	9.5
95.08604	13.8
97.02907	1.1
97.06525	3.1
97.10166	13.1
103.05457	1.0
105.04512	1.2
105.07021	17.6
107.04943	4.1
107.08589	10.9
109.06522	2.5
109.10152	6.5
111.04476	0.9
111.08083	3.1
112.36602	0.7
115.05451	2.9
116.27238	0.7
117.07016	12.6
119.08562	13.6
120.13528	0.6
121.06506	2.5
121.10136	5.4
123.08067	2.2
123.11746	1.6
125.09616	7.7
126.41142	0.8
128.06168	4.4
129.06995	12.1
129.07858	1.1
130.07788	1.0
131.04913	0.6
131.08562	13.1
132.88748	0.6
133.06506	1.3
133.08598	0.8
133.10121	10.7
135.08063	3.2
135.11705	3.6
137.09581	0.8
141.06981	5.7
142.07790	3.6
143.08543	12.0
145.06494	3.0
145.10112	11.8
147.08038	1.8
147.11685	6.1
149.09627	1.8
149.13312	1.1
153.06970	1.0
154.07773	1.8
155.08539	8.8
156.09311	2.2
157.06516	2.2
157.10112	12.8
159.08086	3.6
159.11681	7.8
161.09624	1.6
161.13261	2.5
163.11195	2.5
165.07083	0.9
166.07809	1.1
167.08577	4.1
168.09335	1.3
169.06479	1.1
169.10101	9.7
171.08067	2.0
171.10245	0.7
171.11638	10.3
173.09637	2.4
173.11890	1.1
173.13286	4.3
175.11223	1.5
178.07777	0.6
179.08598	1.9
179.14282	1.5
180.09329	0.9
181.10121	5.6
182.10849	1.4
183.08051	2.0
183.11659	8.2
185.09663	2.7
185.13264	7.5
187.11171	2.2
187.14684	1.6
189.11166	5.4
189.12750	1.0
193.10147	2.5
193.12303	1.1
194.10834	0.8
195.11716	4.5
197.09615	1.9
197.13260	5.8
199.11237	1.8
199.14836	2.2
201.12723	1.2
207.11748	2.2
209.11552	0.7
209.13242	3.1
211.11104	1.7
211.14909	2.0
213.12772	1.9
213.16379	1.0
217.77773	0.7
218.54724	0.7
219.11638	1.2
221.13307	1.6
223.14911	2.0
225.12767	1.7
227.12706	5.2
227.17975	0.7
231.11662	0.8
235.14755	1.5
237.16508	0.9
239.14423	0.7
239.17941	1.8
247.14789	0.8
249.16510	0.8
256.26450	0.8
257.19009	2.7
259.20624	1.2
263.18051	1.3
269.22696	1.0
275.20093	7.0
279.21112	1.1
281.19189	1.6
295.20532	1.7
297.18823	0.9
297.22113	10.6
299.19946	1.0
311.19998	1.2
311.23315	0.7
311.29520	0.7
313.21390	1.5
315.23239	1.6
319.20535	1.3
323.20041	1.3
325.21530	1.7
327.23096	0.7
331.22519	0.9
337.21564	1.2
341.21124	0.8
346.67380	0.7
351.23224	0.7
353.24426	1.4
355.22958	0.8
367.22546	0.9
369.24164	0.9
403.30005	1.0
413.28287	1.1
421.31058	2.1
431.29346	4.8
449.30301	10.7
463.39444	0.7
467.31454	5.2
469.57501	0.8
485.32568	3.1
505.32782	1.0
513.36047	1.6
523.34015	11.7
527.19550	0.8
531.39386	0.9
540.53229	1.4
541.35187	100.0
541.53204	2.3
542.35309	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	541.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	1.6
67.05478	0.8
70.06583	1.0
71.08628	1.2
79.05476	1.1
81.07030	1.1
88.07640	2.0
102.09160	1.0
107.08564	0.7
114.48050	0.7
136.41510	0.6
190.11194	0.8
199.80348	0.7
256.26465	2.3
257.26733	1.0
311.29453	2.3
312.29642	1.1
467.31900	0.8
510.84045	0.7
540.53479	5.3
541.37042	100.0
541.53680	3.7
542.37329	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	542.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75523	0.5
55.01852	1.4
57.03424	1.0
65.03909	0.8
67.05487	1.0
68.73454	0.4
69.03411	0.9
69.81184	0.9
73.53751	0.4
75.04466	1.0
77.03931	0.7
78.04719	1.0
79.05478	5.3
81.07055	1.0
85.02887	1.7
89.03904	0.5
91.05470	7.9
93.03395	3.1
93.07022	1.8
94.04151	0.8
95.04958	2.9
95.18903	0.5
97.06510	0.8
98.22826	0.8
102.21919	0.5
103.05450	8.1
104.06248	0.8
105.04527	1.1
105.07018	22.4
106.04162	5.5
107.04945	4.2
108.05708	0.9
109.06535	2.4
115.05440	1.8
117.06987	1.1
118.04146	6.5
118.79065	0.5
119.04937	3.5
120.05701	1.0
121.06489	8.5
122.03601	1.5
122.07330	1.2
123.04397	1.0
123.08042	2.4
124.05217	2.3
125.06018	2.9
126.35686	0.5
131.04919	3.9
132.05656	1.1
133.06473	23.4
134.03610	1.2
134.07181	0.9
135.04396	2.7
135.08023	4.5
137.05951	18.9
137.09584	1.3
146.03603	1.0
147.04350	1.2
148.05164	1.6
149.05959	13.6
150.06743	13.0
151.03896	1.2
151.07516	6.1
153.01839	0.6
153.09079	2.4
159.04366	0.7
161.05948	4.1
163.02176	0.5
163.03882	1.5
163.07512	7.7
165.09103	15.3
167.03445	0.5
167.07013	13.1
175.07555	0.8
177.05450	8.0
177.09102	10.1
178.06203	1.3
179.01631	0.7
179.06992	3.3
181.08603	5.4
191.07072	1.3
192.07762	0.6
193.08574	61.2
194.08929	0.7
195.06506	1.2
203.10629	0.7
209.08058	35.1
210.08429	1.1
211.09621	100.0
212.09933	2.2
220.58298	0.5
221.11650	1.7
223.04199	8.7
233.11913	0.5
295.13208	1.6
304.96240	0.6
309.13397	0.5
312.08841	0.8
327.15778	2.0
371.14963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01865	1.6
55.05513	1.1
55.21864	0.3
57.03426	1.2
58.71476	0.3
65.03922	0.4
67.05492	14.4
69.03417	4.0
69.07070	0.6
71.04981	0.9
71.42760	0.3
73.02914	0.5
75.04470	0.4
77.03869	0.3
79.05473	3.4
81.03405	6.1
81.07042	7.7
85.02894	4.9
91.05456	3.2
92.27170	0.3
93.03429	0.8
93.07016	2.4
95.04961	3.1
95.08598	6.2
97.02874	3.1
97.06547	0.4
99.04440	2.1
99.08062	0.8
103.05470	2.4
105.07013	7.0
106.04146	1.6
106.83060	0.4
107.04933	1.8
107.08556	1.9
108.04495	0.6
109.02866	6.3
109.06502	2.0
109.10138	43.6
110.10467	0.7
118.04135	2.5
119.04933	1.2
119.08566	2.9
121.06467	2.5
121.10152	0.8
122.07253	0.7
123.04414	0.5
123.08021	0.7
125.05982	2.8
127.03018	0.6
127.03905	8.0
130.98676	0.4
131.04869	1.7
133.06476	6.1
134.07266	0.3
135.04387	0.7
135.08040	1.5
137.06047	2.7
137.09590	100.0
138.09938	2.0
145.04948	1.2
147.04388	0.6
147.08081	0.5
148.05180	1.0
149.05956	3.6
150.06732	4.2
151.07509	2.2
153.09103	0.7
155.10648	8.4
157.04869	0.4
161.05980	0.7
163.07567	0.6
165.09090	71.1
166.09410	1.8
167.07022	4.2
177.05402	2.5
179.07016	0.8
181.08560	2.4
183.10139	6.9
191.07053	0.5
193.08571	18.3
194.08925	0.5
201.09300	0.8
201.11186	16.7
209.08066	11.1
210.08530	0.4
211.09613	33.6
212.09929	0.6
217.07140	0.4
219.12276	0.5
223.04205	2.7
225.11145	0.8
243.12285	0.8
267.06790	1.1
267.12207	2.2
273.13248	0.4
291.12201	2.2
309.13245	13.4
310.13644	0.6
313.10651	1.3
327.14322	30.1
328.14633	0.8
345.15421	37.1
346.15668	1.3
351.28110	0.4
375.87698	0.4
390.53088	0.4
418.03796	0.4
465.99380	0.4
489.19174	0.5
510.02393	0.4
542.25409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80214	0.3
51.92949	0.3
56.96575	0.4
66.72209	0.3
69.89134	0.8
79.05478	0.9
81.03438	0.4
85.02907	0.9
87.04350	0.3
91.05477	1.5
93.07026	1.5
95.04956	0.4
98.97529	0.4
103.05447	7.2
107.04946	2.5
119.04920	1.8
120.08088	100.0
121.08408	1.1
127.03854	0.3
129.90866	0.3
131.04895	3.1
135.04372	1.0
137.05919	1.0
147.04396	2.6
149.05956	2.9
163.03835	0.4
166.08612	45.8
167.07002	1.2
167.09009	0.6
179.07016	3.1
237.02744	0.5
249.10004	0.4
356.68872	0.4
376.31757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.04244	0.6
54.64494	0.7
55.01867	0.8
55.05505	2.1
57.03432	1.6
61.70588	0.7
67.05498	17.3
69.03427	4.4
69.07044	1.5
70.20962	1.6
70.21307	1.1
71.04990	1.2
72.30680	0.8
79.05485	3.3
81.03403	16.6
81.07047	10.6
83.04958	0.9
85.02880	3.8
86.25161	0.8
91.05475	3.3
93.07026	9.5
95.04949	2.8
95.08596	9.0
97.02870	5.1
99.04452	2.0
105.07019	1.8
107.04913	1.1
107.08582	3.7
109.02868	14.2
109.06513	2.7
109.10145	42.3
110.10446	0.9
111.04430	1.7
119.08537	3.9
119.97772	0.8
121.10139	8.7
125.05990	2.3
127.03909	7.4
131.04881	1.1
135.08043	1.5
137.05954	3.2
137.09598	100.0
138.09944	1.5
147.04422	2.2
149.05980	0.9
149.09602	2.3
153.01810	0.8
155.10628	7.0
163.07466	1.3
163.19583	0.7
165.09090	88.0
166.09381	1.3
167.10661	1.5
179.07002	1.4
181.04968	1.0
183.10156	6.8
201.11183	11.7
224.38141	0.7
263.12805	0.9
291.12262	5.8
300.27185	0.9
309.13260	43.0
327.14374	15.0
345.15427	1.2
525.23059	1.1
542.22266	1.3
542.30145	3.5
542.37292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.28443	0.9
62.49829	1.1
65.03918	1.1
67.05499	15.4
69.03426	5.8
69.07059	1.4
69.60615	4.5
79.05498	2.4
81.03398	6.3
81.07040	7.4
85.02892	6.1
88.88807	0.9
91.05477	3.6
93.07027	3.1
95.04953	4.5
95.08600	8.7
97.02875	3.8
97.61021	1.0
99.04450	2.9
105.07029	3.1
107.08591	3.0
107.30112	0.9
109.02854	7.1
109.06522	1.5
109.10146	40.3
110.10434	1.4
118.04110	1.5
119.08581	3.1
121.06467	1.2
121.10160	1.5
123.11671	1.0
123.61711	1.0
125.05972	3.4
127.03916	8.0
131.04919	1.0
133.06485	3.5
135.04495	1.1
137.06003	2.7
137.09599	100.0
138.09894	1.9
145.04909	1.1
149.05988	1.4
150.06793	1.6
151.07507	1.4
153.01816	8.2
154.02167	2.8
155.10649	9.7
165.09097	73.1
166.09534	1.5
183.10114	8.9
193.08618	8.3
201.11182	16.9
209.08115	4.4
211.09636	14.7
223.04330	1.4
243.12175	1.5
267.12338	2.1
291.12222	2.8
309.13272	17.2
327.14352	29.5
345.15439	38.0
346.15851	1.7
414.20889	3.1
542.25409	4.8
543.24792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50328	0.3
57.03415	1.2
61.02913	0.5
62.73906	0.3
67.05535	0.3
69.03419	0.5
69.20738	1.8
73.02924	1.8
76.06511	0.3
78.04697	0.9
79.05493	0.9
85.02877	0.7
91.05504	0.4
93.07017	0.6
95.04914	0.4
95.08609	0.4
97.02891	0.5
98.23455	0.5
105.07025	0.8
106.04158	0.7
107.04939	0.8
121.06493	0.9
123.04414	2.5
124.05216	1.0
137.05984	0.9
138.05449	0.6
148.03802	0.3
149.05940	0.6
151.03902	0.5
152.04622	0.8
153.01794	0.7
161.05978	0.8
167.07027	100.0
168.07352	1.6
177.09015	0.6
179.07039	0.6
181.08621	1.1
193.08598	4.0
195.52696	0.3
211.09637	10.9
428.19778	0.4
498.23495	0.9
499.24857	0.7
542.21997	4.6
542.30243	1.3
543.24176	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
57.06783	1.8
57.07073	35.6
62.03400	1.7
67.05511	1.8
69.07071	8.4
70.25734	1.6
71.08630	23.0
71.43940	1.5
71.44345	2.2
73.03548	1.6
73.06553	10.0
76.99899	1.5
79.05506	2.0
81.07043	2.4
83.08617	3.8
85.10174	18.9
87.04435	3.8
87.08111	17.1
88.07598	2.1
89.06022	100.0
93.07018	2.1
97.10175	2.6
99.11718	4.3
107.07076	3.2
111.08063	2.2
115.07523	4.2
117.09122	4.8
133.08592	49.6
151.07555	3.8
154.09904	3.1
155.10704	3.2
155.17953	3.3
161.11603	2.0
169.08528	9.5
177.11189	18.1
181.08525	2.2
199.20555	6.0
221.13728	2.9
239.14874	2.2
241.10603	2.2
243.23146	7.1
283.17599	3.4
287.25784	2.5
297.16962	15.8
327.20145	2.6
371.22577	5.0
525.39783	7.2
542.40594	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	543.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33780	0.6
60.85929	0.6
62.93756	0.6
63.37173	0.7
70.25659	0.7
94.93010	2.1
96.92833	0.8
145.00793	0.8
166.01344	0.8
232.03365	1.1
235.31589	0.8
259.76093	0.7
277.38623	0.6
336.86163	0.9
349.52655	0.7
362.84283	2.4
363.06656	1.6
380.85309	2.2
381.07950	15.2
490.80276	1.6
516.78772	1.4
543.13165	100.0
544.13446	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	543.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50256	0.5
72.96632	0.2
80.92026	0.2
137.05962	0.3
185.04207	1.1
309.09482	1.0
384.47110	0.3
543.18298	100.0
544.18658	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	543.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
65.32877	1.6
67.58326	1.8
69.56011	7.6
79.05486	6.3
89.03888	2.2
91.05431	2.4
93.07021	3.1
95.04939	2.8
103.05447	13.5
105.07018	74.6
107.04963	2.5
115.05434	19.2
117.80253	1.7
118.04146	6.7
121.06501	4.4
131.04922	8.4
132.05727	2.2
133.06479	65.1
143.05014	2.7
143.06050	8.0
148.05203	1.9
149.05980	7.5
161.05959	100.0
162.06381	2.1
163.07491	2.1
169.02757	1.7
176.04445	16.5
177.05437	9.7
184.04970	12.6
185.05734	5.2
191.07014	21.2
191.37553	2.0
193.08575	44.3
209.08069	8.1
215.06764	73.6
216.07201	2.6
231.06277	6.0
274.08115	2.4
290.07520	2.2
291.08304	20.1
371.64374	2.2
436.34616	1.8
483.16187	15.6
538.75391	2.3
539.74634	1.8
543.18909	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	543.35
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.6
81.07044	0.5
83.05019	0.5
93.07017	0.6
113.25178	0.4
258.27081	0.5
279.96469	0.5
505.76328	0.5
542.53973	1.3
543.34967	100.0
544.35486	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	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01866	3.3
55.05510	16.1
57.03447	4.1
57.07063	1.1
60.19941	0.8
63.48336	0.8
64.22387	0.7
65.03943	2.1
67.05502	28.0
69.03435	2.1
69.06698	1.2
69.07059	9.9
71.04990	1.8
77.03946	1.1
79.05042	1.2
79.05492	20.4
81.03419	7.0
81.07052	22.3
83.04972	2.3
83.08614	8.5
85.02920	1.1
85.06564	2.1
91.05479	18.8
93.07040	18.7
93.07609	1.4
95.04964	8.0
95.08601	10.7
97.06510	2.7
97.10148	7.1
103.05439	0.8
103.32379	0.7
105.04533	1.4
105.07023	16.8
107.04957	3.8
107.08578	12.4
109.06534	2.1
109.10149	7.9
111.08064	1.9
115.05448	1.9
117.07014	11.4
119.08573	12.1
121.06518	3.2
121.10130	4.7
123.08064	1.9
123.11699	2.4
125.09633	6.3
128.06224	2.9
129.07019	9.4
130.07756	1.1
131.08551	15.0
133.06490	1.6
133.10121	9.1
135.08073	2.3
135.11681	3.4
137.09735	0.8
141.06996	3.8
142.07803	2.5
143.08549	9.2
145.06519	3.0
145.10103	12.7
147.08076	1.6
147.11682	8.2
149.09616	2.1
149.13310	1.9
151.11169	1.3
154.07773	1.1
155.08569	6.0
156.09364	1.4
157.06464	1.3
157.10136	7.5
159.08090	3.2
159.11684	10.4
161.09627	1.8
161.13248	3.7
163.11273	1.6
167.08582	2.8
168.09335	0.9
169.10112	6.0
171.08070	1.4
171.11671	7.2
173.09666	3.6
173.11795	1.5
173.13206	7.3
174.25847	0.9
175.11205	2.6
175.14764	1.1
179.08540	1.1
179.14409	1.1
181.10136	2.7
183.07986	0.7
183.11674	5.8
185.09613	2.8
185.13248	5.3
187.11186	2.1
187.13324	0.9
187.14867	3.3
189.11267	2.2
189.12801	0.9
193.10190	1.1
193.12325	1.1
195.11716	3.6
197.09677	0.9
197.13275	3.7
199.11264	1.5
199.14879	3.5
201.12814	1.3
201.16347	1.0
207.11801	1.4
209.13312	2.0
211.14841	2.2
213.12721	1.5
213.16444	1.2
217.99432	0.9
221.13255	1.6
223.14871	1.9
227.12816	2.2
237.16376	1.3
241.19563	2.7
247.17085	1.0
257.19058	1.3
259.20633	3.7
265.19513	0.9
267.15826	5.8
275.20236	1.5
277.21869	1.0
281.22830	0.9
283.20657	1.8
297.18463	0.9
297.22064	2.9
299.20667	1.0
299.23639	4.8
301.21512	1.2
313.21622	1.0
315.23212	1.6
325.21597	1.1
333.24356	1.9
353.24701	1.1
355.25479	0.9
357.24344	0.9
415.29910	1.7
423.32822	2.3
433.30997	6.8
451.32077	8.7
456.30490	0.8
469.33109	4.7
487.33862	1.1
507.34735	2.1
515.37286	3.3
525.35681	20.2
526.36456	1.6
543.36792	100.0
544.37018	7.8
549.25629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01875	3.8
55.05506	18.2
57.03429	4.0
57.07076	1.5
65.03950	1.9
65.95479	0.8
67.05499	26.5
69.03414	1.6
69.07064	9.5
69.09082	4.3
69.40242	0.8
71.04979	2.6
71.08636	2.1
79.05486	21.6
81.03411	12.3
81.07050	27.5
83.04980	3.6
83.08611	10.8
85.02896	1.3
85.06541	1.7
86.11237	0.7
90.61762	0.7
91.05474	20.7
93.07034	20.1
93.07596	1.1
93.71769	0.8
95.04959	8.1
95.08595	14.5
97.06535	2.9
97.10159	6.7
97.30084	0.8
99.08096	1.1
105.04530	1.7
105.07022	20.1
107.04961	3.0
107.08575	12.7
107.84196	0.8
109.06514	3.1
109.10136	9.3
111.08077	1.8
115.05457	1.8
117.07021	9.7
119.08578	15.0
121.06481	2.6
121.10133	7.1
123.08090	1.7
123.11729	2.5
125.09589	5.5
128.06218	2.0
129.07002	9.8
131.08568	15.5
133.06485	1.8
133.10117	11.1
135.08084	2.9
135.11641	5.3
137.09637	1.9
139.24030	0.9
141.06992	3.3
142.07794	3.1
143.08551	10.2
144.09384	0.8
145.06493	3.3
145.10101	13.7
147.08078	2.9
147.11676	7.3
149.09619	2.1
149.13257	2.7
151.11215	1.4
155.08554	6.6
156.09451	1.0
157.06555	1.8
157.10109	8.2
159.08092	2.6
159.11678	11.5
161.09628	1.1
161.13222	4.3
163.11192	2.2
167.08595	2.1
169.10095	6.4
171.08086	2.1
171.11713	7.6
173.09645	3.0
173.11810	1.2
173.13208	7.1
175.11185	3.1
175.14841	2.2
177.12784	0.9
179.08536	1.7
179.14293	3.7
181.10129	3.1
183.11673	5.8
185.09633	2.0
185.13191	6.1
187.11191	1.6
187.14847	3.5
189.11217	1.9
189.12747	1.4
193.10231	1.3
193.12227	3.3
194.10933	1.1
195.11708	3.2
197.09668	0.9
197.13200	3.6
199.11191	1.2
199.14778	3.8
201.12715	0.9
207.11826	1.0
209.13289	3.2
211.11060	0.8
211.14838	2.3
213.12758	1.3
215.14450	0.9
223.14877	2.1
227.12741	1.7
229.16083	0.9
235.14722	0.9
241.19562	2.4
247.16899	1.2
255.17627	0.8
257.19073	1.6
259.20538	5.8
265.19525	0.8
267.15842	4.0
275.20102	3.9
277.21646	3.6
283.20605	2.4
288.16849	0.7
297.18600	1.3
297.22104	2.4
299.20432	1.2
299.23764	5.1
301.21790	0.9
327.23209	0.9
333.24313	2.0
339.23334	1.7
353.24936	1.1
357.24127	1.9
364.98581	0.8
405.31430	1.0
415.30078	1.6
421.25986	1.0
423.32553	2.5
433.31161	6.5
438.83887	0.8
451.32129	9.1
469.33011	4.7
487.34332	0.9
507.34671	1.2
515.37244	3.5
518.71344	0.8
525.35699	18.0
526.35675	1.0
543.36768	100.0
544.37042	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01870	2.4
55.05509	20.4
57.03431	4.8
57.07058	1.7
58.81607	0.7
65.03926	1.8
67.05499	26.3
69.03436	2.1
69.07065	8.2
69.87677	1.8
69.88000	1.1
71.04980	1.0
79.05486	20.2
81.03411	9.0
81.07050	25.6
83.04986	3.3
83.05508	0.7
83.08620	10.7
85.02903	1.3
85.06566	1.6
91.05476	22.1
93.07034	16.1
95.04961	8.3
95.08598	12.6
97.06554	2.5
97.10159	9.2
99.08060	1.4
105.04523	1.5
105.07019	18.9
106.07337	0.9
107.04954	2.9
107.08591	12.3
109.06528	1.8
109.10146	8.0
111.08085	2.9
115.05473	1.7
116.06229	0.9
117.07018	12.0
119.08577	13.6
121.06500	3.5
121.10146	6.1
123.08086	1.4
123.11726	2.3
125.09616	5.2
128.06233	2.7
129.07007	11.3
130.07765	1.4
131.07570	0.7
131.08557	17.9
131.60150	0.8
133.06493	1.3
133.10126	9.9
135.07977	1.5
135.11694	5.2
137.09630	1.0
141.06999	3.1
142.07787	2.0
143.08548	10.3
145.06506	3.7
145.10109	16.7
147.08070	3.2
147.11713	5.9
149.09637	2.4
149.13240	2.4
151.11186	1.2
154.07761	0.9
155.08528	6.3
156.09311	1.3
157.06490	1.2
157.10107	11.2
158.10811	0.9
159.08064	3.5
159.11679	9.1
161.09642	1.7
161.13290	3.8
163.11235	1.9
165.12788	1.0
167.08623	2.3
169.10124	7.0
171.08023	2.0
171.11685	7.4
173.09642	2.7
173.13222	6.0
175.11253	2.8
175.14903	1.3
181.10117	4.7
183.11603	4.6
185.09688	1.8
185.13252	5.9
187.11244	1.9
187.13310	1.7
187.14850	2.8
189.11246	3.1
193.10274	0.8
193.12210	2.4
195.11650	4.5
197.13280	3.2
199.11247	1.5
199.14891	2.9
201.12770	1.0
201.16481	1.0
207.11674	1.2
209.13292	3.0
211.14857	2.6
213.12715	1.2
213.16389	1.6
223.14857	2.6
225.16296	1.5
227.12816	2.5
235.14859	1.0
239.17804	1.0
241.19463	2.0
255.21083	1.1
257.19153	1.0
259.20566	5.4
267.15842	3.8
277.21555	0.9
283.20612	2.7
287.16412	1.0
297.18848	1.0
297.22128	2.2
299.23642	6.5
301.21585	1.6
313.21725	1.0
315.23273	1.0
325.21655	1.6
327.23154	1.1
333.24304	1.8
339.23248	1.7
357.24234	1.4
371.26028	0.9
405.31754	1.4
415.30026	1.1
423.32599	1.6
433.31024	5.5
451.32010	8.9
469.32928	4.8
507.34705	1.5
515.37354	2.5
525.35663	15.4
543.36780	100.0
544.37323	6.4
554.71295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59499	0.2
52.38951	0.2
53.03934	2.1
54.26121	0.2
55.01868	2.7
55.05514	1.4
57.03430	1.8
57.07069	1.3
61.02923	1.5
67.05508	0.2
68.99792	1.0
69.03062	0.4
69.03425	6.6
69.07052	0.5
69.22546	1.3
69.68836	0.2
70.04072	100.0
71.03784	0.3
71.04402	0.4
71.04987	1.2
73.02913	1.9
79.05504	0.3
81.03412	7.6
81.07026	0.4
83.08603	1.5
85.02898	18.3
87.00823	7.5
87.04452	0.5
91.03965	0.7
91.05491	0.3
95.04980	0.3
95.08612	0.4
97.02886	9.3
99.04451	3.7
99.08086	2.8
105.01865	6.9
105.02419	0.2
105.07027	0.5
107.08526	0.3
109.02871	8.4
111.04428	0.3
115.03944	1.3
117.01847	1.3
119.08556	0.3
125.02358	0.7
127.03908	14.8
128.04172	0.2
129.01018	0.3
129.01854	1.0
145.04950	8.3
147.02893	0.9
147.04440	0.5
155.02599	0.4
159.02895	5.0
161.04463	0.7
178.88460	0.3
183.10156	1.2
209.07283	0.5
211.08897	1.0
213.03917	1.3
219.05006	0.4
225.11250	0.9
227.08386	2.1
229.03412	0.3
231.04976	4.1
243.12199	0.8
245.26617	0.2
247.04546	0.5
249.06093	1.0
265.05444	0.5
267.15982	0.3
311.11307	0.5
329.12314	0.5
425.88123	0.2
446.35321	0.3
457.36771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01864	2.9
55.05503	1.9
56.47549	0.2
57.03430	1.8
57.07061	1.2
59.04998	0.6
61.02921	1.3
62.09196	0.2
67.05501	0.6
67.73609	0.2
68.99783	0.8
69.03424	7.9
69.07069	0.5
69.49567	0.3
70.04071	100.0
71.01361	0.4
71.03754	0.3
71.04398	0.4
71.04996	1.3
71.79076	0.3
73.02914	2.2
81.03408	9.1
81.07054	0.9
83.01388	0.3
83.04996	0.4
83.08607	1.9
85.02897	22.3
86.03247	0.3
87.00826	8.9
87.04469	0.3
91.03963	0.7
91.05473	0.7
91.09981	0.3
93.07034	0.8
94.59482	0.2
95.04992	0.4
95.08598	0.4
97.02885	9.9
99.04450	4.3
99.08079	3.1
105.01861	8.3
105.02536	0.5
105.07059	0.7
107.08568	0.5
109.02869	10.2
109.06501	0.3
109.10147	0.4
111.04474	0.4
115.03895	1.6
117.01856	1.0
119.08596	0.5
125.02396	0.7
125.09642	0.3
127.03903	18.2
129.01009	0.3
129.01869	1.1
133.10191	0.4
135.11661	0.3
137.06012	0.8
141.00862	0.3
145.04942	10.1
145.10153	0.3
147.02864	0.5
147.11729	0.4
159.02884	5.8
161.04434	0.7
161.13242	0.3
167.72380	0.3
177.04016	0.5
182.46654	0.3
183.10197	1.1
189.03912	0.5
207.10222	0.3
209.07384	0.6
211.08846	1.2
213.03891	1.3
218.75800	0.3
219.04922	0.5
225.11102	1.3
227.08371	2.6
231.04958	5.2
243.12373	0.6
247.04549	0.9
249.06068	0.7
251.83812	0.3
267.15912	0.7
311.11090	0.4
329.12408	0.5
334.22861	0.3
340.88910	0.4
382.21173	0.4
493.42505	0.3
544.30090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01869	0.4
55.05504	0.4
55.18818	0.2
57.03429	0.4
57.07069	0.3
58.41351	0.1
61.02922	0.4
61.07539	0.2
67.05493	0.3
69.03426	1.5
69.07066	0.2
70.04072	100.0
71.03757	0.2
71.04405	0.4
71.04996	0.3
73.02907	0.5
75.40010	0.1
79.05497	0.2
81.03413	1.8
81.07070	0.2
83.08612	0.3
85.02901	4.0
87.00813	1.4
91.05474	0.2
93.07030	0.2
97.02872	1.7
99.04464	0.6
99.08102	0.8
105.01856	1.4
105.07060	0.3
109.02878	1.8
109.10150	0.2
115.03922	0.4
124.08974	0.1
127.03897	2.6
127.04741	0.2
145.04889	0.9
150.26715	0.2
159.02925	0.7
161.04465	0.2
177.80977	0.2
183.10234	0.4
183.11937	0.1
208.03262	0.2
225.11208	0.4
227.08330	0.5
231.05084	0.6
249.05927	0.2
290.24329	0.2
301.00647	0.2
329.12158	0.2
444.87161	0.2
507.23502	0.2
543.38696	1.8
544.39130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	5.2
68.85455	2.2
69.42688	7.7
69.43096	3.6
73.02911	12.2
74.80680	2.5
79.05526	2.6
85.02904	4.9
91.05476	12.9
97.02879	3.5
103.05465	6.9
115.03938	3.7
119.04929	20.8
121.83424	2.2
122.03677	5.9
123.52433	2.0
126.35401	1.9
127.03915	2.3
131.04924	19.7
137.05963	100.0
143.04941	2.3
147.04384	5.9
149.05943	5.9
149.36914	2.2
151.03938	3.4
151.07520	25.5
153.01830	5.8
155.27080	1.9
156.07657	2.4
161.05998	3.0
162.06648	2.3
163.07516	28.4
174.89601	1.9
175.07509	5.8
179.07031	6.0
181.08559	48.3
184.65607	2.0
205.08757	2.7
217.08681	2.3
285.11191	2.5
299.09012	2.9
299.12564	3.7
309.89233	2.1
311.12634	3.8
327.12271	3.1
329.13837	5.5
359.14886	4.2
414.79303	2.0
421.32315	2.7
448.70984	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87034	1.6
56.58143	1.5
57.03423	4.0
69.03419	3.1
73.02905	11.2
81.03416	1.8
85.02895	4.1
88.60007	1.9
91.05467	14.5
93.07024	1.8
95.04906	2.8
97.02901	3.8
103.05457	11.6
107.04947	2.3
109.02850	2.5
115.03880	3.5
115.05395	2.4
119.04924	18.9
122.03622	3.6
129.22313	1.7
131.04913	18.1
137.05962	100.0
145.04987	1.8
147.04388	5.8
149.05934	3.9
151.03802	1.9
151.07516	26.7
153.01834	10.3
161.05891	4.0
163.07506	33.6
167.10582	2.2
175.07478	3.7
177.05446	2.4
179.07018	3.9
181.08591	52.8
185.11707	2.9
229.08615	1.8
279.09915	2.7
299.12686	3.9
311.12708	3.6
313.14371	2.1
329.10104	2.6
329.13843	5.5
359.15030	2.7
461.18033	3.2
461.89368	1.9
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
50.33684	1.2
51.28409	1.3
53.03933	3.6
55.05498	3.8
57.03425	5.2
57.70036	1.3
64.77489	1.3
67.05490	2.3
69.03423	9.6
69.14993	3.5
69.15402	6.4
75.04463	7.6
79.05486	20.3
81.03416	10.9
81.07049	5.3
82.34351	1.3
85.02899	8.1
91.05466	17.7
93.07035	98.6
94.07346	1.7
95.04956	8.6
95.08598	2.7
97.02882	7.2
98.22833	5.0
99.04458	2.3
103.05432	1.9
105.04514	2.9
105.07013	9.0
107.04989	1.3
107.08582	18.6
109.02880	4.4
111.04432	1.7
111.08080	7.3
119.08584	12.1
121.06519	1.8
121.10129	100.0
122.10508	1.9
123.11658	1.9
127.03906	3.8
131.08534	4.6
136.06183	3.2
139.11150	4.4
145.04965	2.9
147.92105	1.5
149.09615	20.4
167.10669	31.3
237.34769	1.3
275.12735	1.9
293.13840	9.9
311.14767	15.4
329.15909	1.7
348.07123	2.1
545.19794	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	544.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34115	1.2
55.01025	1.1
55.05498	2.9
61.22571	1.1
67.05479	1.7
69.03429	1.2
69.07055	4.5
69.31402	6.7
72.92822	1.1
79.01847	3.1
79.05499	2.3
81.03401	3.6
81.07043	4.3
83.08606	2.0
85.02901	2.4
91.05466	2.5
93.07063	5.8
95.08591	10.5
97.02892	3.2
98.23473	2.0
107.04956	3.1
107.08584	14.6
109.02853	3.4
109.10148	3.4
121.09273	1.4
121.10141	27.1
125.02383	2.5
127.03890	2.3
135.08011	1.6
135.11676	5.5
137.13242	11.1
143.03352	2.7
145.04912	1.3
149.13255	2.2
153.01822	100.0
163.07555	4.4
166.14954	1.3
167.07019	4.3
171.02904	8.4
177.16394	23.0
195.17473	5.5
297.06055	6.4
315.07114	19.5
365.12244	4.5
383.11029	2.3
544.18121	3.5
544.24310	4.9
545.24158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	4.6
53.03931	5.8
55.01868	5.3
55.05507	36.7
57.03437	20.5
57.07042	2.6
59.04998	5.0
65.03943	3.4
67.05495	38.7
69.03420	6.3
69.07053	9.8
69.97220	4.3
69.97539	3.9
71.01346	3.5
71.04987	6.7
77.03889	2.4
79.05485	35.0
81.03412	78.0
81.07053	46.4
83.04977	23.6
83.08612	41.7
85.02898	24.1
85.06547	3.0
91.05471	59.9
93.07040	35.7
95.04964	33.3
95.08606	13.0
97.02887	6.5
97.06516	8.3
97.10155	5.6
98.22556	3.3
99.00813	29.8
100.42716	2.7
105.07022	40.1
107.04942	14.1
107.08573	13.3
109.02880	13.5
109.06523	5.8
109.10163	8.8
109.88122	2.7
111.04417	4.7
111.08076	15.6
113.05972	3.7
115.03931	3.3
117.07008	6.9
119.08582	32.5
121.06490	10.5
121.10136	10.7
122.61948	2.6
123.11700	5.4
129.06989	14.8
129.87080	2.6
131.08568	12.5
133.06468	5.2
133.10114	55.4
135.11690	3.7
137.05870	3.1
139.07550	6.4
142.07762	3.0
143.08522	4.1
145.10085	3.4
147.08051	3.3
147.11678	17.3
147.61879	2.7
149.09636	5.9
151.11148	15.4
157.10094	14.8
161.09604	25.0
165.12697	4.0
171.08044	4.3
175.11188	14.6
179.10672	8.9
189.09090	11.0
193.12227	59.7
197.11743	4.1
207.10199	4.0
211.13283	97.5
212.13647	3.2
225.11195	20.8
229.54010	2.9
243.12300	3.2
259.14603	3.0
267.15918	26.6
281.13907	6.4
285.16946	70.5
299.14868	100.0
311.76440	2.6
382.21408	3.6
491.26260	13.3
509.27417	67.7
560.76837	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	544.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96724	1.2
53.03938	3.3
55.01865	20.7
55.05506	33.6
56.01484	1.5
57.03429	24.2
57.07080	2.5
59.05002	3.2
65.03919	2.1
65.34187	1.4
67.05502	33.0
69.03421	4.5
69.05020	5.4
69.05432	4.4
69.07054	9.5
71.01350	2.1
71.04987	5.8
73.02931	4.0
79.05487	36.8
81.03414	21.9
81.07050	28.6
82.04199	3.4
83.01332	10.5
83.04977	18.3
83.08614	18.4
85.02914	4.4
85.06545	1.8
86.44416	1.5
91.05471	27.0
92.05833	2.5
93.07037	33.4
94.07366	1.5
95.04959	23.6
95.08597	12.0
97.02872	5.5
97.05986	1.5
97.06507	8.9
97.10144	13.5
98.07302	4.9
98.22688	3.5
99.04463	3.4
105.04518	2.2
105.07015	15.5
107.04941	11.6
107.08586	18.5
109.06490	8.8
109.10183	6.9
111.04453	3.5
111.08090	4.9
116.04691	12.3
117.07007	13.5
117.75137	1.3
119.08547	13.2
120.08862	1.6
121.06510	5.7
121.10110	12.9
123.08076	11.5
125.05949	1.8
125.09595	13.8
128.06235	1.5
129.05466	27.2
129.06966	3.6
130.07813	3.0
131.08554	8.9
133.10143	7.5
135.08047	5.0
135.11670	12.5
137.09581	3.7
139.07510	1.9
143.07034	5.4
143.08525	1.6
143.10623	1.4
145.06450	1.9
145.10112	15.9
147.08064	3.1
147.11668	3.6
149.09587	2.5
151.11209	1.5
153.09178	1.8
153.12735	2.7
155.08543	2.0
157.08612	13.3
157.09990	2.6
163.11171	25.0
171.06496	2.3
171.10211	4.1
173.09662	5.6
175.11218	2.4
179.14220	1.4
181.12260	5.3
188.21198	1.6
189.11246	5.7
191.10649	4.0
193.12280	5.1
199.13272	4.8
200.14041	3.0
201.14804	2.1
209.11678	9.4
210.12517	1.9
211.13358	1.6
227.12769	15.0
241.18358	1.4
255.16101	1.6
267.15860	7.6
283.15363	100.0
284.15939	4.0
290.99594	1.6
294.18915	1.9
301.16434	76.4
302.16681	3.0
337.16534	3.5
383.22272	1.7
475.26721	4.9
492.27090	4.5
509.27417	52.3
544.29382	2.5
544.37128	5.9
574.67340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
53.66481	0.8
54.09111	0.8
55.01862	3.8
55.05252	1.3
55.05508	14.1
57.03437	18.0
57.07076	1.1
59.04999	1.0
62.29105	0.8
65.03952	1.8
66.82047	1.1
67.05502	22.5
69.03416	3.0
69.07062	7.0
71.01325	0.9
71.04981	3.0
79.05489	21.9
81.03413	100.0
81.07054	24.6
83.04979	11.8
83.08616	23.0
85.02906	13.5
85.06535	1.3
91.05476	29.5
93.07041	15.6
95.04967	29.1
95.08600	9.7
97.02900	3.8
97.06535	3.4
97.10140	5.1
98.92606	1.0
99.08095	1.5
105.07025	21.7
107.04961	9.4
107.08604	8.3
109.06534	6.0
109.10140	3.8
111.04449	1.9
111.08061	8.8
113.06023	1.7
115.05461	2.0
117.06999	3.7
119.08579	19.9
121.06503	3.9
121.10141	9.5
123.08051	3.5
125.09626	3.6
129.07002	12.7
131.04872	1.1
131.08551	14.0
133.06470	3.8
133.10143	11.0
135.08018	0.9
135.11693	1.2
137.09612	1.6
142.07761	3.6
145.06480	3.0
145.10080	3.1
147.08052	4.2
147.11678	11.6
149.09619	6.7
155.08554	1.1
157.10133	13.7
162.85878	0.9
163.11176	3.3
165.12738	2.9
171.08116	1.3
175.11169	14.1
183.48146	0.9
193.12227	38.1
211.13278	25.9
229.14198	1.1
233.15305	1.8
237.12706	1.1
249.14894	3.2
255.13815	1.8
267.15894	99.9
268.16318	2.1
273.14923	3.8
278.15314	1.2
283.15271	2.1
285.16925	25.7
285.19977	1.8
299.14890	1.9
301.16165	1.0
339.23257	1.3
341.21082	1.5
349.21591	3.6
357.24063	1.2
367.22714	11.8
385.23654	11.5
403.24359	1.4
405.24261	1.3
414.55807	1.0
433.25861	7.6
441.26315	3.5
459.27417	40.7
460.27832	2.3
477.28473	35.2
478.28696	1.5
509.27316	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	2.2
53.03950	4.9
55.01879	3.9
55.05510	21.5
57.03444	14.6
57.05423	2.1
67.05499	23.3
68.86507	2.2
69.03411	4.5
69.07063	5.2
71.04996	4.5
79.05490	31.3
81.03412	100.0
81.07052	29.8
83.04980	14.6
83.08617	20.7
85.02910	15.9
85.06528	3.2
91.05482	37.6
91.94091	2.3
93.07039	17.4
95.04962	28.4
95.08624	11.7
97.02863	4.0
97.06539	4.5
97.10179	6.9
97.40054	2.5
99.00813	3.8
99.08096	2.8
105.04506	2.1
105.07030	24.9
107.04945	10.7
107.08584	9.8
109.06537	6.1
109.10155	5.4
111.04430	5.5
111.08057	11.4
115.05457	2.8
117.06997	4.2
119.08577	19.9
121.06519	4.7
121.10152	9.8
123.08070	6.1
125.09608	3.2
129.06973	13.0
131.08572	15.4
133.06488	4.4
133.10098	14.4
137.09605	2.3
142.07770	3.6
145.06436	5.5
145.10057	3.5
147.08028	3.8
147.11681	13.4
149.09604	5.3
151.11235	2.6
157.10101	15.1
161.09659	3.1
163.11156	2.4
165.12668	3.0
175.11159	16.3
193.12222	49.9
206.37321	2.2
211.13278	50.7
225.11200	4.5
230.69881	2.3
249.14787	2.7
251.60320	2.3
267.15897	89.6
273.14972	3.6
283.15442	2.8
285.16940	42.6
299.14935	17.4
349.21762	3.7
363.14737	2.6
367.22702	8.0
385.23767	9.8
403.24930	3.8
433.25754	4.5
441.26282	3.3
459.27252	31.3
477.28470	29.8
491.26645	2.6
509.27335	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	544.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.2
55.01865	6.8
55.05507	40.2
56.05833	5.9
57.03427	24.8
64.62373	5.8
67.05495	100.0
68.05824	12.3
69.07053	38.6
71.04982	11.5
71.08615	23.4
79.05487	82.2
80.05806	13.8
81.03416	96.7
81.07048	83.6
82.03748	9.5
82.07378	11.6
83.04974	15.5
83.08608	38.5
83.09393	4.5
83.89781	5.3
84.08978	5.6
84.30215	5.0
86.09670	6.7
88.48799	5.0
89.46845	4.9
90.98077	4.5
91.04942	7.4
91.05480	79.9
91.06033	4.2
92.05800	13.0
93.07034	76.7
94.07352	13.4
95.04964	50.4
95.08610	52.1
96.08958	7.3
97.06515	16.2
97.10154	20.4
99.08077	13.4
102.01762	5.7
104.10736	27.9
105.07007	52.1
105.11111	5.5
106.07363	11.8
107.04958	24.9
107.08570	49.5
109.06502	8.9
109.10178	28.2
111.08056	8.3
114.87435	5.6
117.07008	16.0
118.07346	7.0
119.08575	39.7
120.08874	10.0
121.06506	13.1
121.10159	30.6
123.08093	11.2
123.11681	7.0
125.09596	6.5
128.06248	6.8
129.07010	19.5
131.08566	34.5
131.76775	5.3
133.10112	22.6
134.10484	6.1
135.11681	23.1
142.07721	7.7
143.08490	7.9
145.10092	21.7
146.10411	7.8
147.08035	7.4
147.11671	16.2
149.09596	10.1
149.13280	8.1
150.09862	6.6
151.11182	8.9
155.08496	5.7
157.10101	17.6
159.11707	14.1
161.13252	12.0
163.11150	9.7
165.12796	6.8
169.10043	7.8
171.11678	13.6
172.11977	5.7
173.13235	11.4
174.13622	6.9
175.11111	9.2
179.14314	20.0
180.14592	13.1
183.11742	10.3
189.11182	9.1
193.12256	18.1
195.30077	6.0
197.13113	5.9
241.14035	6.0
253.83043	6.4
267.15942	38.5
275.19983	10.2
276.20438	15.5
277.21533	13.8
277.40909	6.1
278.21896	16.9
356.07861	5.6
367.22665	17.3
385.23697	24.3
394.03308	5.3
403.24777	6.5
452.32388	9.1
456.18445	5.6
459.27139	41.6
477.28409	30.4
485.25464	13.4
513.35297	16.0
516.37042	5.7
517.10822	6.4
526.35632	12.4
544.37329	79.6
545.38165	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	544.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
54.71350	2.0
55.01871	9.1
55.05508	28.8
57.03442	11.6
57.07075	3.2
57.99542	1.8
59.05023	4.0
62.86742	1.7
63.07254	1.8
65.03922	2.7
65.95023	1.7
67.05502	61.2
68.05831	2.9
69.03418	3.7
69.07061	15.1
70.74605	1.7
71.04989	23.6
71.41442	1.8
77.03899	2.1
79.05492	45.6
80.05815	4.6
81.03425	14.8
81.07053	100.0
82.07377	5.2
83.01344	5.0
83.04986	15.1
83.08604	17.3
83.08933	1.4
85.02892	2.6
85.06536	7.9
91.05476	36.8
92.05798	3.6
93.07041	37.7
94.07379	3.1
95.04958	14.3
95.08606	22.9
96.08933	1.5
97.06528	7.9
97.10158	6.1
99.04443	4.1
105.07027	24.3
106.07362	2.9
107.04946	9.3
107.08592	26.6
108.08942	3.4
109.06515	6.7
109.10155	11.6
110.10527	2.5
111.04433	2.4
111.08091	4.9
117.07008	10.1
118.07330	2.0
119.08575	14.7
120.08928	2.6
121.06526	5.0
121.10129	9.9
123.08064	7.1
123.11704	11.9
125.05978	2.1
125.09639	4.8
129.07013	7.0
131.08548	16.8
133.10121	19.7
135.08040	4.0
135.11690	13.1
137.09663	3.5
143.08505	3.7
144.08865	2.1
145.06508	2.1
145.10106	13.0
146.10468	4.1
147.11682	6.2
149.09659	3.2
149.13252	5.9
151.11180	4.9
153.12738	3.4
155.08540	4.0
157.10092	4.1
159.11760	8.3
161.13286	3.2
163.11156	17.5
169.10066	2.5
171.11720	3.5
172.08537	1.9
173.09608	3.9
177.12666	1.9
183.11674	2.3
187.13284	3.9
193.99550	1.8
195.11780	2.0
195.13747	4.3
199.14818	2.0
209.11740	4.5
227.12709	3.0
259.20425	2.7
269.17444	9.5
276.20352	3.8
283.15402	24.8
301.20132	13.1
333.24188	3.0
379.43890	1.9
434.31357	2.8
451.26886	88.7
452.27203	3.1
452.32651	4.8
465.28287	7.6
470.33569	2.9
472.29391	1.9
477.28329	11.2
508.34995	2.2
509.31107	33.2
526.36029	13.0
527.36823	2.8
544.37177	37.6
545.38257	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	545.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
57.03424	0.6
69.03416	0.8
69.07066	1.1
69.12032	2.2
73.02911	1.8
76.93794	0.4
81.03413	0.5
81.07037	1.3
85.02885	1.0
91.05472	1.2
93.07040	0.6
94.08236	0.3
95.08604	1.2
97.02881	0.4
98.23421	0.9
102.05564	0.3
105.07030	0.5
107.08585	0.4
109.10162	0.8
118.19170	0.3
121.10213	0.5
133.75316	0.3
137.13278	0.3
171.02611	0.4
185.04265	0.6
218.96461	0.3
229.06847	2.2
251.06766	1.1
305.06396	0.4
317.08408	13.2
318.08557	0.5
408.19266	1.5
413.12231	1.1
504.82727	0.4
544.31451	0.5
545.16229	100.0
545.33112	16.7
546.16620	4.6
546.32947	0.7
567.83374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.199
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10361	0.3
69.39214	1.4
69.39553	0.5
69.72378	0.3
70.40504	0.3
76.83479	0.3
80.10177	0.3
98.22933	1.1
137.06006	0.3
203.05257	1.2
245.35043	0.3
365.13638	0.7
434.11752	0.3
545.19855	100.0
546.20166	6.3
553.35187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1988
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
69.10242	0.3
69.46117	1.1
73.61053	0.4
98.22678	0.6
161.25455	0.3
165.04976	0.3
176.76140	0.3
203.05328	1.0
223.70732	0.3
365.13629	0.5
383.11243	1.2
545.19873	100.0
546.20203	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	545.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76460	0.3
68.49294	0.3
71.42896	0.3
71.51607	0.3
76.82260	0.2
93.07030	0.3
107.04982	0.2
121.10145	0.3
149.05850	0.2
167.07089	0.3
168.07365	0.4
234.51157	0.3
349.10416	0.3
360.13541	0.3
395.14594	1.4
413.15710	0.3
447.96924	0.3
481.57034	0.2
534.85931	0.3
545.19885	100.0
546.20178	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	545.1989
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
56.27190	0.3
70.50490	0.7
81.66138	0.4
82.03955	0.5
95.01104	1.1
113.02162	1.4
113.43535	0.4
127.03698	0.8
137.02110	0.6
155.03131	6.0
155.04283	0.4
163.75459	0.4
171.02640	0.5
173.04274	0.6
176.04430	0.8
201.05199	3.7
203.06775	0.4
216.07549	19.6
217.08307	0.9
222.60757	0.4
323.19797	0.4
335.10800	0.6
351.10596	0.8
361.12659	0.5
382.21146	4.8
408.19174	0.8
478.77588	0.4
545.19873	100.0
546.20209	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72934	1.6
53.03952	6.6
55.01871	6.4
55.05508	34.7
57.03431	12.6
57.07074	4.6
59.05000	1.5
64.85070	1.2
65.03943	5.7
67.05502	87.5
68.05827	2.0
69.03430	3.5
69.07061	24.6
69.07398	2.2
69.23476	5.1
69.23890	2.3
71.04997	6.3
71.08624	5.5
75.51146	1.2
77.03932	3.2
79.05488	77.1
81.03413	41.3
81.03887	2.0
81.07050	82.2
83.04965	12.4
83.08614	26.7
83.54670	1.5
85.02898	18.3
85.06542	2.8
85.10219	1.4
87.77869	1.3
89.06030	4.5
91.05476	56.9
92.21311	1.5
93.07039	66.8
95.04962	31.0
95.08598	46.0
96.08934	1.7
97.02859	2.2
97.06532	6.5
97.10162	15.5
99.08073	2.1
105.04522	4.6
105.07026	45.2
107.04984	7.2
107.08584	34.5
107.09327	1.5
109.06511	7.2
109.10141	21.0
111.08096	9.5
113.05978	2.0
115.05421	2.2
117.07006	14.7
119.08575	32.2
121.06493	7.9
121.10126	25.9
123.08072	4.1
123.11697	7.3
125.09639	10.0
129.07025	10.8
131.08556	28.6
131.09467	2.5
133.06482	2.8
133.08678	3.1
133.09090	1.4
133.10123	23.6
133.11034	2.6
135.08069	3.9
135.11664	15.6
137.09665	2.7
139.11169	1.8
141.07014	2.8
142.07851	2.3
143.08536	8.2
145.10101	19.8
145.11212	1.6
147.08110	3.5
147.11671	17.6
148.76559	1.3
149.09567	7.0
149.13275	7.8
151.14943	1.9
155.08632	3.9
157.10098	15.5
159.11694	11.7
161.09641	1.8
161.13249	8.0
163.11252	2.6
163.14838	4.0
169.10150	6.0
171.10402	1.7
171.11766	5.8
173.13240	8.3
175.11130	8.1
175.14830	3.7
179.14297	3.3
180.14505	1.6
183.11665	2.9
185.13292	6.0
187.14867	5.0
189.11217	4.5
193.12239	32.8
193.13995	2.5
195.11795	1.8
197.13319	2.9
199.14883	3.0
209.13303	1.8
211.13249	34.9
227.12830	6.2
243.20920	2.7
261.22116	8.6
267.15887	12.1
273.22205	1.7
277.21719	2.9
283.20380	1.9
285.16919	2.2
285.22198	3.7
299.23755	3.0
301.25259	10.9
303.23187	3.2
317.24731	3.3
327.22971	1.4
335.25696	9.5
359.25833	2.3
403.24786	1.5
435.27475	1.6
435.32477	8.1
453.33578	9.4
471.34714	8.4
509.36255	2.8
520.96875	1.7
527.37354	34.1
528.37982	1.9
545.38330	100.0
546.38696	3.4
567.32623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01870	6.4
55.05508	37.5
57.03442	8.1
57.07080	4.0
59.04992	1.6
65.03938	2.9
67.05500	70.6
69.03423	4.9
69.07065	17.5
69.11191	2.0
69.11599	5.5
71.04990	4.2
71.08633	1.9
74.45361	1.1
79.05487	47.4
79.05952	2.7
81.03413	27.9
81.07053	67.9
82.17699	1.3
83.04984	7.2
83.08620	23.3
85.02895	1.3
85.06542	4.4
91.04958	0.9
91.05473	39.7
93.07037	46.9
93.07596	2.7
95.04969	27.1
95.08598	47.1
97.06498	7.0
97.10165	21.8
99.08087	1.3
103.05431	1.2
105.07022	38.0
105.07716	1.9
107.04958	6.9
107.08590	29.6
109.06510	7.2
109.10152	27.0
111.08062	6.1
115.05405	1.6
117.07020	17.2
119.08569	29.6
121.06519	8.4
121.10126	21.6
121.10848	1.7
123.08084	6.7
123.11680	10.1
124.59604	1.4
125.09625	17.8
128.06255	2.7
129.07016	11.0
131.08560	26.6
133.06500	3.4
133.10127	20.9
135.08093	7.5
135.11664	12.7
137.09616	4.2
137.13255	3.5
139.11171	2.0
141.06992	2.4
142.07808	2.2
143.08521	8.1
145.06487	2.2
145.10114	16.3
147.08058	3.7
147.11682	14.3
149.09625	4.2
149.13252	9.0
153.09010	1.3
155.08559	4.6
155.32631	1.3
157.10095	11.4
159.08047	3.9
159.11679	12.1
161.09575	2.5
161.13249	8.3
163.11256	2.9
163.14850	2.8
165.12825	2.6
169.10146	5.3
171.08110	1.6
171.10387	1.6
171.11578	6.4
173.09688	1.7
173.13223	9.9
175.11172	4.4
175.14897	3.5
177.12744	2.4
179.14322	1.5
181.10149	2.5
183.11719	3.3
185.13277	5.9
187.11269	2.3
187.13315	1.9
187.14790	6.1
189.11241	9.2
189.12683	1.9
189.16426	2.9
193.12225	9.4
195.11771	2.9
197.13289	4.0
199.14886	3.6
201.16534	3.1
205.15912	1.6
209.13408	1.7
211.13251	2.8
211.14975	1.9
213.16504	1.5
225.16408	1.4
227.12730	12.5
233.15388	2.4
243.21143	3.8
247.16946	3.0
249.14835	2.0
261.18515	2.4
261.22183	15.7
267.15866	26.3
277.21628	1.9
279.23224	3.4
283.24274	2.1
285.22104	5.9
287.20117	1.9
299.23599	1.5
301.21899	1.6
301.25174	22.2
303.23273	2.5
315.23196	1.3
317.24823	2.5
327.23120	2.0
335.25690	17.9
341.24887	2.3
359.25714	2.3
403.24667	2.1
417.31430	2.0
421.25830	3.3
435.27359	2.3
435.32642	10.6
453.33557	15.9
459.85757	1.3
471.34705	11.9
489.35916	1.6
509.36197	4.6
513.35675	2.7
527.29199	3.1
527.37250	55.7
528.37793	2.2
545.38312	100.0
546.38831	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69467	2.3
53.03946	5.7
55.01859	6.0
55.05503	33.8
57.03426	10.2
57.07076	3.9
65.03942	3.2
67.05499	87.2
69.03404	2.7
69.07060	34.5
71.04979	6.9
71.08624	7.1
79.05483	63.7
80.05852	2.8
81.03403	14.0
81.07050	100.0
82.07390	2.4
83.04986	9.4
83.08616	18.9
85.02926	2.3
85.06525	4.4
85.72641	2.1
91.05472	57.1
93.07036	74.2
95.04955	19.8
95.08592	56.4
97.06528	10.3
97.10141	11.5
99.08096	8.0
104.88581	2.1
105.04536	3.0
105.07015	52.8
107.04951	6.4
107.08586	39.0
109.06530	5.5
109.10135	24.1
111.08094	3.6
115.05432	2.4
117.07021	21.7
118.89151	1.9
119.08566	48.2
121.06530	4.3
121.10118	24.1
123.08012	3.1
123.11750	7.1
125.09623	8.2
128.06198	3.4
129.06985	15.4
130.07770	2.3
131.08543	43.9
131.09444	2.9
133.10104	31.0
135.08092	4.1
135.11694	23.8
137.09608	3.6
137.13289	2.1
139.11142	2.9
141.06993	3.8
142.07806	3.0
143.08559	22.3
144.09219	2.7
145.10114	28.0
147.07993	2.6
147.11664	26.8
149.09656	3.8
149.13232	15.6
151.11229	5.5
155.08557	7.9
156.09389	2.7
157.10120	21.4
159.11664	27.0
159.34279	2.4
161.09599	3.9
161.13280	12.7
163.11188	5.9
163.14877	3.5
165.12810	5.7
167.08600	2.5
169.10146	10.1
171.11652	20.3
173.13240	15.4
175.11200	5.2
175.14854	7.9
177.12775	4.3
179.14290	4.4
181.10152	5.4
183.11623	10.1
185.13223	12.0
187.14857	7.3
189.11227	4.2
189.16431	3.2
193.12291	7.5
195.11678	5.6
195.13847	5.0
197.13245	8.1
199.14839	8.5
201.16469	3.0
209.13301	3.3
211.15015	3.9
213.16365	3.0
223.15060	2.9
225.16481	2.8
227.12766	5.4
241.19460	10.3
259.20526	22.9
261.22229	5.4
267.15988	8.3
269.17377	17.1
277.21609	8.7
301.21902	3.1
301.25223	5.6
315.23062	3.7
333.24252	14.3
349.90576	2.2
417.31616	6.3
425.34204	4.8
435.32660	17.1
453.33704	21.6
471.34564	14.2
499.37976	4.2
501.35599	3.7
509.36172	5.4
517.38708	13.5
527.37292	70.8
528.37659	3.5
545.38324	85.4
546.38983	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01870	6.8
55.05508	34.0
55.29298	1.2
57.03428	10.0
57.07076	2.9
59.04993	1.2
65.03928	2.8
67.05500	69.5
69.03426	4.4
69.07062	18.5
71.04993	4.1
71.08636	2.6
78.81953	1.3
79.05486	42.6
81.03412	30.3
81.07050	62.0
83.04990	6.3
83.08617	22.1
84.50430	1.2
85.02920	2.5
85.06536	4.1
89.06056	1.2
91.05470	36.3
93.07037	46.0
95.04966	24.9
95.08598	39.0
97.06554	4.2
97.10163	21.3
98.22690	3.4
99.08082	1.6
105.04523	2.2
105.07022	35.8
107.04959	6.0
107.08583	26.5
109.06512	8.1
109.10149	26.9
111.08088	6.2
115.05437	1.5
117.07005	16.5
119.08578	27.5
121.06504	7.3
121.10127	19.1
123.08086	5.3
123.11679	9.8
125.09621	13.4
126.23405	1.1
128.06184	1.6
129.07022	9.9
131.08563	23.7
131.09450	1.9
133.06488	1.9
133.10120	18.5
135.08032	7.6
135.11649	10.1
135.99156	1.2
137.09628	4.4
137.13202	2.1
139.99933	1.7
142.07817	2.3
143.08531	7.8
145.06505	3.1
145.10115	19.8
147.08083	3.4
147.11659	13.4
148.92570	1.2
149.09628	5.5
149.13275	7.7
151.11256	2.5
153.09122	2.2
155.08586	4.5
156.09370	1.4
157.10112	11.9
159.08029	2.7
159.11679	13.5
161.13249	8.6
163.11185	4.4
163.14848	2.4
165.12805	2.7
169.10185	4.2
171.11642	6.7
173.09660	1.6
173.11874	2.8
173.13274	9.1
175.11226	4.5
175.14845	5.8
177.12778	2.0
177.16454	2.1
179.14258	1.7
181.10101	2.0
183.11765	4.0
185.13206	6.4
187.11182	1.6
187.14861	4.5
189.11214	9.8
193.12233	11.2
195.11725	2.0
197.13269	3.2
199.14822	4.4
201.16367	3.0
209.13208	1.7
211.13174	2.9
211.14957	3.0
213.16457	2.9
227.12726	15.7
233.15353	3.0
235.16951	2.3
243.21135	2.5
247.16934	3.2
247.20612	1.6
249.14755	2.0
259.20609	1.6
261.22165	17.2
267.15891	23.5
267.39047	1.3
279.22971	1.8
279.95285	1.3
285.22186	3.7
288.77930	1.5
299.23679	1.9
301.25256	21.3
303.23303	3.2
311.23752	1.8
317.24774	3.5
329.21234	2.1
335.25696	17.9
359.26053	2.9
377.48431	1.3
417.31458	2.7
435.32388	8.8
453.33557	15.4
471.34711	9.5
489.35257	1.4
509.35751	2.8
527.37274	54.7
528.37585	3.6
545.38318	100.0
546.38739	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
51.77151	1.1
53.03940	5.0
55.01869	3.7
55.05260	2.6
55.05508	33.9
57.03425	9.4
57.07061	3.7
59.04994	1.6
65.03933	4.6
67.05499	64.5
68.05811	1.7
69.03418	3.6
69.07071	18.3
70.66142	2.7
71.04981	6.1
71.08608	2.0
77.03934	2.5
79.05486	65.9
81.03414	37.5
81.07051	62.3
82.07378	1.9
83.04968	9.8
83.08611	18.8
84.52807	1.2
85.02891	20.8
85.06543	4.8
91.05473	55.3
93.07037	62.9
94.07327	2.0
95.04964	24.6
95.08597	39.1
96.28886	1.4
97.02882	2.1
97.06518	6.6
97.10159	10.4
99.08094	2.4
103.05429	1.8
105.04523	4.0
105.07021	39.8
107.04947	4.9
107.08581	29.9
109.06525	4.3
109.10144	17.9
111.04417	1.7
111.08065	10.1
113.05995	1.8
115.05452	1.7
117.07009	13.6
119.08567	30.7
121.06490	2.9
121.10139	26.6
123.08066	3.6
123.11699	5.8
125.09627	4.6
129.06969	9.9
131.08551	20.8
132.05775	1.5
133.06447	2.4
133.10129	21.9
135.08081	2.1
135.11682	16.1
137.09633	2.3
137.13235	1.4
141.06993	2.3
142.07822	2.3
143.08553	5.1
145.10109	15.4
147.08031	2.5
147.11678	16.1
147.12747	1.8
149.09618	5.5
149.13202	7.3
155.08585	2.7
157.10141	10.4
159.11661	10.5
161.13249	6.8
163.11192	2.0
165.12773	2.4
169.10150	2.8
171.11710	4.7
173.13229	8.1
175.11201	9.4
175.14711	2.8
183.11650	1.7
185.13277	3.6
187.11220	1.3
187.14812	2.8
189.11243	2.6
193.12228	43.2
193.13980	2.7
197.13290	2.8
201.16385	2.2
211.13257	43.8
213.16440	1.5
227.12741	4.4
233.22661	1.4
237.78632	1.4
243.21045	2.3
256.26340	1.9
259.20670	4.2
261.22119	7.8
267.15887	7.3
269.17361	2.7
275.20068	2.6
278.01389	1.4
281.41998	1.3
282.88867	1.4
299.23868	1.7
301.25290	4.9
303.23123	1.5
333.24228	1.9
335.25800	4.3
360.38840	1.4
414.31393	1.5
417.31470	2.0
435.32980	8.0
453.33511	7.6
471.34650	4.2
509.36108	2.3
527.37268	23.9
545.38306	100.0
546.38501	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.5
55.05498	33.2
57.03423	12.9
57.07074	7.8
67.05502	82.9
69.07072	21.4
71.04990	7.2
71.08616	5.8
79.05483	77.4
81.03403	54.5
81.07043	81.4
83.04984	11.9
83.08626	23.3
85.02882	21.7
85.06517	4.7
85.10126	3.5
89.06029	9.9
91.05473	64.3
93.07034	74.9
95.04954	37.5
95.08600	49.5
97.06523	8.0
97.10154	10.1
105.04485	4.8
105.07024	52.0
107.04953	9.5
107.08587	31.5
109.10143	21.8
111.08075	12.4
117.07021	15.8
119.08574	37.3
121.06482	6.4
121.10115	39.4
123.08070	8.0
123.11716	7.6
125.09637	8.0
129.07018	9.5
131.08549	26.0
133.08505	5.9
133.10112	27.4
135.11688	20.1
142.82623	4.3
145.10112	16.0
147.11688	19.6
149.09590	9.1
149.13261	6.8
155.08531	4.4
157.10120	13.5
159.11578	6.1
161.13202	7.4
165.12598	6.0
173.13275	5.6
175.11172	16.8
175.14891	4.4
177.11229	4.4
193.12225	54.0
211.13266	55.5
261.22110	8.6
274.28760	3.9
335.25745	8.3
362.89465	5.6
435.32446	9.3
453.33600	4.6
460.76852	5.6
527.37164	23.1
545.30902	8.9
545.38397	100.0
546.38867	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
54.43288	1.5
55.01869	5.8
55.05254	2.5
55.05507	36.0
55.31250	1.4
57.03438	14.9
57.07069	4.4
59.04996	1.9
65.03930	4.3
67.05498	89.5
69.03429	2.4
69.07058	33.0
71.04988	9.9
71.11034	1.3
77.03914	3.0
79.05485	63.8
79.05950	3.2
80.05833	2.0
81.02998	1.6
81.03407	7.8
81.07050	89.2
83.04969	7.4
83.08611	22.1
83.82493	1.3
85.02894	2.3
85.06548	5.9
91.05467	57.5
93.06445	3.6
93.07034	71.7
95.04961	15.8
95.08596	53.8
97.06518	12.0
97.10170	11.8
98.22590	2.3
99.08099	5.7
105.04502	4.2
105.07019	51.6
107.04949	4.0
107.08582	42.7
108.78783	1.3
109.06528	6.1
109.10150	22.1
111.08108	7.1
113.05971	2.3
115.05457	3.1
117.07002	26.7
117.07796	2.2
119.08568	53.6
121.06554	4.3
121.10133	29.7
123.08068	2.7
123.11710	9.0
125.09624	5.8
128.06232	4.6
129.06995	14.8
130.07755	3.0
131.08556	42.9
132.77057	1.6
133.06523	2.2
133.10120	41.9
135.08084	4.9
135.11673	20.5
137.09598	3.9
137.13300	1.7
139.11192	2.7
141.07031	5.6
142.07788	4.3
143.08551	25.6
144.09244	2.1
145.06522	1.9
145.10109	41.3
145.11220	2.8
147.08073	2.9
147.11665	34.7
149.09616	3.2
149.13245	20.8
150.59554	1.4
151.11191	4.0
155.08521	10.6
156.09320	2.3
157.10112	26.1
159.08080	3.2
159.11674	40.4
159.12939	2.5
161.09642	2.4
161.13242	21.1
163.11169	3.3
163.14825	3.4
165.12749	2.1
167.08601	2.4
169.10114	11.5
171.11668	26.2
173.09622	2.0
173.13239	22.5
175.11227	2.4
175.14821	10.0
177.12726	5.1
181.10123	5.6
183.11713	10.5
185.13243	18.6
186.13574	1.5
187.14767	12.0
189.11288	2.7
189.12819	1.8
189.16486	2.2
193.12244	6.5
195.11736	5.8
195.13852	6.5
197.13284	10.5
199.14803	12.1
201.16415	4.4
207.11748	2.6
209.13348	4.1
211.13133	1.8
211.14894	6.0
213.14711	1.6
213.16354	7.4
215.17816	1.9
221.13225	2.0
223.14784	2.1
225.16501	1.9
227.12750	3.2
227.18002	2.6
231.21078	3.3
235.14893	2.7
237.16301	2.0
239.18089	2.8
241.19492	15.1
247.17065	1.5
251.18141	2.3
257.18988	2.3
259.20541	33.8
261.22217	4.2
267.15833	11.2
269.17386	24.0
275.20187	2.1
277.21677	4.3
285.22241	2.8
287.20273	1.9
297.22150	2.9
299.23718	3.8
301.21735	1.8
301.25269	4.9
309.22086	2.3
311.23798	2.1
313.21429	2.0
313.25143	2.0
315.23318	5.2
317.24673	2.9
325.25256	2.4
327.23300	3.0
329.24973	3.2
331.23056	1.8
333.24228	17.3
335.25772	5.9
341.24753	2.2
343.26428	1.8
353.24722	1.8
389.31940	1.7
407.33014	4.1
417.31479	5.3
423.32703	4.2
425.34250	9.0
435.32526	24.5
441.33725	2.0
443.35126	4.3
453.33551	21.7
471.34622	22.0
497.36676	3.1
499.37863	6.6
508.69156	1.6
509.36255	9.1
515.37244	4.9
517.38824	22.6
527.37256	100.0
528.37769	5.2
545.38287	67.3
546.38739	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99250	2.6
53.03937	5.8
55.01863	7.9
55.05503	39.9
57.03434	12.2
57.07070	7.6
57.34739	2.7
59.05013	3.7
65.03939	4.2
67.05497	96.8
68.05853	2.9
69.03413	5.3
69.07069	24.8
71.04978	3.1
74.07871	2.4
77.36804	2.4
79.05487	67.1
81.03409	34.8
81.07050	83.2
82.68417	2.7
83.04985	11.9
83.08614	34.7
85.06570	3.5
91.05470	64.5
91.06039	3.3
93.07037	67.5
95.04950	30.5
95.08595	46.8
97.06527	8.2
97.10165	25.2
98.71714	2.9
99.08105	3.1
103.05460	3.0
105.07014	60.7
107.04939	12.3
107.08591	40.6
109.06532	9.5
109.10130	32.0
111.08070	8.4
117.07008	25.4
119.08570	49.4
121.06517	8.6
121.10127	25.7
123.08081	7.4
123.11732	8.5
125.09629	18.1
128.06223	4.3
129.06964	18.0
131.08548	39.8
133.06480	4.5
133.10117	25.1
135.08069	7.7
135.11674	15.6
137.09651	5.4
137.13239	3.2
138.60631	2.5
141.07011	5.4
142.07700	4.4
143.08542	17.6
145.06497	4.1
145.10109	28.8
147.08028	5.0
147.11687	22.2
149.09654	6.5
149.13231	13.9
151.11278	3.0
153.12833	2.8
155.08591	9.4
157.10115	18.3
159.01393	3.0
159.11682	19.9
161.09639	3.8
161.13290	9.7
163.11188	4.8
163.14835	6.4
169.10168	12.0
171.10257	3.7
171.11723	12.9
173.09665	3.4
173.13246	16.0
175.11205	3.8
175.14848	6.5
177.16515	4.5
181.10118	5.0
183.11719	6.6
185.13280	5.4
187.13382	3.5
187.14882	7.5
189.11240	9.4
189.16476	3.4
191.14352	3.1
193.10771	2.9
193.12210	16.1
195.11778	2.6
197.13278	5.1
199.11191	2.8
199.14952	6.3
201.16545	3.4
203.14445	3.0
203.18024	2.8
211.13246	4.6
213.16452	6.3
225.16440	2.6
227.12727	14.2
229.14243	3.6
232.89696	2.7
241.19626	3.7
243.21144	8.8
259.20569	2.8
261.22156	26.0
263.19879	3.0
267.15848	35.7
279.23325	3.4
283.24405	3.2
285.22174	4.9
289.18192	2.9
299.20496	2.6
299.23761	10.2
301.22131	3.8
301.25107	15.7
303.23364	3.2
317.24734	3.4
329.24869	4.1
335.25784	25.8
359.25739	6.1
417.31458	4.9
421.25729	2.9
435.32666	23.7
453.33746	23.3
471.34732	19.1
509.36356	5.1
527.29352	4.6
527.37207	93.3
528.37622	5.9
545.38403	100.0
546.39087	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	546.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
57.03417	0.9
60.05029	0.8
61.86668	0.9
66.12518	0.8
69.03432	4.2
69.51728	4.0
71.32695	0.8
79.01858	2.5
81.03415	8.1
84.04511	4.1
85.02905	2.4
89.01949	0.8
94.30067	0.8
97.02872	5.5
99.04459	1.1
106.52529	1.1
107.01299	1.3
109.02867	4.2
125.02335	2.7
127.03924	7.4
128.47424	1.0
130.04977	4.6
137.05997	3.0
143.03394	3.7
145.04990	1.2
147.04439	1.5
147.07675	4.7
151.03842	1.2
153.01819	100.0
154.02194	1.1
171.02847	11.1
179.07114	1.1
191.07043	1.3
229.08745	2.0
233.08052	2.1
257.08105	1.1
297.06027	9.0
315.07013	15.2
341.72861	1.0
372.21262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.84607	0.7
69.03413	4.0
69.54366	3.2
74.12598	0.8
79.01839	3.1
81.03409	8.9
85.02894	3.1
92.10207	0.7
97.02890	5.9
99.04390	0.9
107.01282	1.0
109.02887	5.2
125.02329	3.6
127.03905	8.5
137.05940	1.9
143.03378	4.0
145.04890	2.0
147.04420	0.8
153.01814	100.0
154.02126	1.5
171.02882	12.9
233.08083	2.3
239.23367	1.0
257.08044	1.4
297.05960	10.0
315.07074	19.8
431.85022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
55.01865	20.2
55.05503	45.0
57.03430	39.9
57.07056	2.9
59.04980	3.6
65.03935	2.6
67.05495	51.4
69.03426	9.7
69.07071	16.8
70.04215	2.5
71.01350	2.9
71.05003	8.7
73.02922	8.7
76.76437	2.4
79.05483	57.3
81.03410	91.3
81.07042	49.8
81.07495	3.7
82.04197	6.8
83.04974	37.1
83.08617	32.2
85.02900	25.0
91.05466	63.2
93.07037	41.7
95.04958	50.7
95.05530	4.0
95.08588	21.5
97.02886	7.4
97.06496	11.1
97.10153	22.8
98.07313	8.9
99.04450	3.6
99.08052	3.2
104.11095	2.3
105.04501	3.7
105.07014	38.6
107.04939	16.4
107.08578	18.7
109.06521	13.3
109.10139	14.3
111.04433	7.1
111.08077	17.9
115.05415	3.1
116.04682	15.4
117.07014	6.6
119.08566	28.5
121.06494	5.1
121.10105	14.4
123.08082	10.4
125.09577	15.5
129.05472	37.7
129.06950	16.6
131.08557	19.1
132.61517	2.1
133.06491	4.5
133.10107	22.2
135.08037	4.9
135.11673	6.9
137.09624	4.5
142.07829	4.4
143.07016	9.3
145.10123	5.6
147.08025	5.9
147.11661	23.2
149.09616	9.3
149.22977	2.2
153.09106	2.7
157.08607	19.3
157.10132	24.3
163.11177	8.3
165.12755	3.8
171.10162	6.4
173.09549	2.6
173.11758	2.7
175.11159	20.2
181.12253	3.0
189.11200	9.7
191.10753	2.8
193.12222	77.1
199.13252	10.7
209.11742	7.3
210.12518	4.2
211.13264	100.0
212.13574	2.4
227.12741	14.4
229.14369	3.5
230.93108	2.5
255.15900	5.5
267.15884	29.9
283.15576	5.2
285.16916	71.3
286.17471	2.7
301.16422	92.3
382.27417	3.5
459.27548	3.1
477.28546	4.5
493.28250	11.3
494.28336	5.5
511.29004	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01867	5.1
55.05508	24.1
57.03424	14.0
65.03941	3.4
67.05500	75.2
69.03420	3.4
69.07066	13.7
70.27201	4.7
70.27556	2.8
71.04986	29.7
79.05486	37.2
80.05856	2.7
81.03416	35.2
81.07051	100.0
82.07388	2.8
83.04976	11.7
83.08610	19.2
84.75250	2.1
85.02895	13.3
85.06538	10.5
91.05476	51.2
93.06506	4.2
93.07042	33.5
94.07386	3.2
95.04970	23.8
95.08600	18.7
97.02848	2.1
97.06535	9.5
97.10176	4.0
99.08103	2.5
102.36089	2.7
105.04530	2.4
105.07033	28.7
107.04951	6.4
107.08600	17.1
109.06520	6.5
109.10120	12.0
111.08060	10.3
113.06032	3.1
117.07005	7.8
119.08579	23.0
121.10139	8.8
123.08069	4.5
123.11711	12.4
125.09607	3.7
129.07027	9.5
131.08571	8.7
133.06526	2.8
133.10146	28.4
135.11717	7.1
145.10164	5.3
147.08072	3.1
147.11687	14.2
149.09604	3.1
149.13240	6.3
151.11189	8.0
157.10158	8.6
159.11722	3.8
163.11186	4.9
173.11714	3.2
175.11148	11.8
187.13286	5.3
193.12244	23.1
195.13821	4.5
211.13274	33.5
229.14297	4.2
243.15869	3.2
267.15854	15.5
269.17542	7.9
285.16946	29.8
301.20108	27.7
435.27380	24.7
453.28433	59.2
454.28894	3.1
456.46564	2.5
461.28952	13.8
467.29965	8.2
479.29883	20.1
511.32755	22.4
524.31958	2.4
546.34631	5.5
547.29114	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01870	4.4
55.05507	12.1
57.03439	17.5
57.55978	2.6
67.05496	46.6
69.07060	16.7
69.65786	6.0
69.66156	5.8
71.04990	5.8
79.05476	34.1
79.05799	2.8
81.03412	67.8
81.03885	4.1
81.07052	59.6
81.07500	4.4
83.04981	12.2
83.08246	2.9
83.08624	29.2
91.05463	25.5
92.05840	2.8
93.07038	39.5
95.04963	26.9
95.08588	15.5
97.06524	9.4
99.14546	2.5
105.07003	18.6
107.04943	6.1
107.08589	23.2
109.06531	6.2
109.10134	5.1
111.08099	5.2
112.08990	2.9
117.07030	7.9
119.08591	10.7
121.06505	3.4
121.10149	15.2
129.07019	6.8
129.36296	2.6
131.08568	10.8
133.10132	9.0
135.11723	5.0
142.07674	3.5
145.10129	4.5
147.11752	5.6
149.13258	18.7
157.10155	9.6
159.11725	8.2
163.11136	2.9
165.12819	4.0
175.11150	2.9
177.12781	8.3
193.12196	15.4
195.13805	5.8
208.98009	3.1
211.13359	5.5
267.15869	68.0
269.17459	72.3
331.67612	3.1
435.27640	6.0
461.28952	100.0
462.29663	6.7
522.65698	3.9
534.84283	3.4
547.26465	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	546.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82088	5.5
55.05507	6.7
56.51140	5.1
57.72739	5.4
61.02912	6.6
67.05502	48.7
69.07034	7.2
69.22956	27.5
79.05476	25.5
81.03420	6.1
81.07048	50.3
83.08604	9.6
85.02908	10.6
87.01388	5.9
89.53451	5.1
91.03934	5.1
91.05464	14.1
93.07027	31.6
95.08592	40.3
98.22941	24.8
105.07025	15.0
107.08587	19.8
109.10143	18.6
119.08548	10.5
121.10137	20.4
123.11696	12.9
124.28935	5.1
131.08595	7.0
133.10141	6.7
135.11673	18.7
137.13216	7.4
142.55084	6.1
142.68037	5.3
147.11644	6.4
149.13252	17.4
159.11723	10.2
163.14795	15.2
173.13239	15.7
243.21046	23.8
261.22086	100.0
263.07507	5.8
310.41650	6.1
335.25641	9.7
353.26791	17.9
361.78177	6.5
394.47913	6.1
440.62784	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	546.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
61.02922	6.9
67.05499	60.8
69.07050	16.0
69.79210	5.5
71.42947	5.1
79.05505	28.6
81.07059	71.5
83.08593	6.3
85.02915	7.7
86.09641	4.4
91.05482	22.0
93.07037	36.6
95.04979	5.8
95.08601	43.4
97.02882	6.6
105.07023	18.6
107.08595	38.2
109.10146	36.7
112.10292	5.3
117.07026	5.8
119.08559	15.9
120.09878	5.6
121.10162	32.1
123.11678	20.8
131.08539	11.9
133.10162	12.4
135.11688	24.2
145.02852	9.6
145.10068	14.5
147.11656	9.4
149.06027	4.8
149.13252	21.5
158.96011	4.9
159.11681	15.0
161.13280	8.6
163.14825	13.4
164.17752	5.0
173.13229	13.8
177.05499	35.3
177.16423	9.8
184.07346	6.2
187.14822	10.1
243.21053	32.0
253.01450	5.2
261.22119	100.0
261.24762	3.4
335.25781	29.0
353.26730	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	547.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42331	0.3
69.64922	0.7
69.65302	0.8
83.01091	0.5
90.66254	0.3
95.01088	0.8
113.02118	0.9
113.03571	0.3
127.03665	0.5
155.03159	4.4
159.04172	0.5
171.02670	0.6
185.05757	0.4
218.05501	2.9
223.09499	0.6
335.11063	0.5
367.13599	3.2
385.14517	1.6
415.13535	1.1
547.17847	100.0
548.18182	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	547.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.2
57.84521	0.4
66.47511	0.4
69.03435	4.5
81.03405	2.8
81.55845	0.4
84.04501	58.8
85.02912	1.0
91.05513	0.6
98.06079	0.6
99.04456	4.9
101.07125	5.9
102.05533	1.7
102.06145	0.5
105.03386	0.8
105.20628	0.4
119.04937	2.0
123.04422	13.1
130.04997	88.0
131.05305	0.6
135.04410	1.3
139.03885	4.0
147.04437	6.5
147.07635	100.0
148.08005	1.2
151.03897	20.1
153.01817	0.9
153.05490	0.5
161.05994	0.8
163.03897	1.6
165.05486	2.3
173.05956	1.4
175.03900	0.6
177.05571	0.7
181.04991	2.3
193.04929	1.8
207.06531	0.8
217.08528	0.7
227.10199	0.8
245.11339	11.7
285.07654	0.6
303.08609	17.7
454.76367	0.4
501.70300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.6
55.01853	0.7
55.36372	0.5
56.05036	1.3
57.24302	0.4
69.03426	4.5
70.48837	0.6
70.49165	0.8
81.03419	3.0
84.04497	60.5
95.04929	0.5
98.22787	0.7
98.23351	0.5
99.04443	6.3
99.57086	0.5
101.07127	6.0
102.05528	1.9
106.22883	0.5
115.00768	0.5
116.07098	0.5
119.04973	0.7
123.04449	4.4
130.04990	98.2
131.05305	0.9
139.03871	1.0
147.04520	2.7
147.07628	100.0
148.07922	0.8
151.02678	0.5
151.03888	9.5
153.01796	0.8
165.05414	0.6
172.80704	0.5
180.69983	0.4
184.93558	0.5
187.67233	0.5
227.10220	0.8
245.11279	7.8
303.08557	4.5
355.48456	0.6
356.72647	0.6
552.65930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92763	0.6
54.47380	0.6
55.05507	0.8
57.93287	0.8
64.44046	0.7
67.05487	1.7
69.07082	0.6
78.04691	0.7
79.05482	1.5
81.03400	1.2
81.07039	1.1
89.03905	6.8
91.05461	2.5
93.07047	1.2
102.31514	0.6
105.07006	1.0
111.65104	0.6
114.01294	0.6
115.13900	0.7
117.02565	1.0
117.03366	15.4
131.04872	1.1
134.03600	1.3
135.04440	1.5
137.05981	0.7
145.02827	44.2
145.06505	0.9
146.07236	0.6
147.04393	0.8
149.05989	4.6
149.13246	1.0
161.05927	0.9
165.07053	0.7
177.05452	100.0
178.05759	1.2
178.07780	0.8
179.08528	0.7
181.06511	0.8
186.05527	1.8
189.05446	1.7
189.06972	0.8
203.08475	1.7
205.10065	1.0
206.07349	0.9
218.07355	1.0
219.08015	1.3
221.05972	1.1
221.09598	1.0
231.08067	1.9
232.08815	1.0
233.09625	0.8
234.06763	1.1
235.07501	2.7
236.08269	0.8
247.07472	0.9
248.08319	0.9
249.09029	1.7
250.06233	1.1
251.06996	1.2
252.07819	1.7
260.08212	0.9
261.09070	1.6
262.09811	1.1
263.07022	1.8
264.07718	1.6
265.08524	2.9
266.09348	1.2
267.10089	1.0
267.15863	1.8
268.16162	0.9
269.17499	1.4
275.10641	1.2
277.08450	2.1
278.09366	2.2
280.07196	2.3
281.08035	1.6
289.08484	0.8
291.10046	1.2
293.08081	2.5
293.11664	2.4
295.09570	1.1
296.10294	1.7
298.78918	0.7
306.08746	0.8
307.09726	0.7
312.09940	0.9
321.11304	2.6
325.10538	1.2
325.14139	0.9
339.12244	8.3
353.13663	2.0
371.14777	7.0
461.28915	1.6
462.29538	1.4
464.88449	0.7
475.66339	0.7
505.18234	1.8
515.16827	1.7
519.19556	0.8
547.19525	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02371	0.8
67.05494	2.8
70.30842	1.1
70.31184	1.0
71.20724	0.7
79.05477	1.7
81.03396	2.6
81.07040	2.7
83.08624	0.8
89.03915	7.5
89.24268	0.7
91.05474	2.1
92.92981	0.6
93.07037	1.7
95.04954	1.9
97.06545	1.1
107.04929	0.8
107.08565	0.7
108.00979	0.7
117.03368	20.1
131.04916	1.5
133.06578	0.8
134.03693	1.7
135.04446	1.3
137.05986	0.8
142.92093	0.7
145.02834	46.5
149.05946	6.7
149.13255	0.9
155.66074	0.7
159.07976	1.1
161.05975	1.0
175.10913	0.6
177.05452	100.0
178.05775	2.8
178.07719	1.3
181.04974	1.4
186.05470	1.5
189.05443	0.8
189.07047	0.8
190.07742	0.9
191.08537	1.0
193.12231	0.7
194.07204	1.1
202.07841	1.1
203.08513	1.2
205.06670	0.7
206.07309	1.0
207.08076	1.2
215.08557	1.4
218.07277	1.9
219.08009	2.0
219.65706	0.7
220.09001	0.6
221.06000	0.9
221.09790	0.7
222.06744	1.7
223.07640	0.7
231.07977	1.2
233.09647	2.0
234.10388	0.8
234.93541	0.7
235.07491	3.1
237.05630	0.7
247.07487	1.3
247.11205	0.7
248.08392	1.0
249.05313	0.8
249.09045	3.1
250.06218	1.9
250.09904	1.6
251.07027	1.7
252.07776	1.8
259.07434	1.0
260.08102	0.9
261.08975	1.9
262.09698	1.1
263.06937	1.8
263.10681	0.8
264.07742	2.1
265.08533	3.0
265.11896	0.9
267.15894	2.0
269.17490	1.3
275.06876	0.9
275.10559	1.6
277.08539	1.4
278.09286	2.4
279.06601	1.0
279.10129	1.4
280.07147	2.3
291.10013	0.7
292.10773	1.6
293.08115	2.2
293.11505	1.2
295.09546	1.9
296.10458	0.8
306.08850	1.2
307.09613	1.5
311.12756	1.6
321.11209	2.9
323.09064	1.2
325.10892	1.7
339.12283	8.1
343.51266	0.8
353.13809	2.3
371.14838	7.3
461.28857	3.7
462.29205	2.1
505.18311	2.5
515.16748	1.2
547.19189	1.5
547.27094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.196
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05043	1.2
65.03932	1.2
69.46177	5.1
79.05485	1.5
81.07049	1.5
82.04128	1.2
89.03922	5.9
91.05475	1.4
92.52352	1.1
98.23112	4.3
103.05462	2.1
105.07014	1.1
107.04971	1.1
117.03371	15.5
124.01617	1.0
131.04919	1.7
131.98619	1.0
134.03603	1.2
135.04431	1.7
137.05954	5.1
145.02826	37.4
146.03648	1.2
147.04379	2.5
149.05971	6.9
159.08009	1.2
161.05978	4.3
163.07423	1.4
167.03020	1.2
173.52467	1.0
177.05453	100.0
178.05841	1.3
179.07106	1.1
181.05013	5.8
181.06390	1.4
189.05437	3.9
189.06978	1.6
191.08469	1.2
194.07341	2.4
195.07961	1.3
207.06328	1.8
207.08064	1.9
208.08615	1.2
219.07916	2.0
221.06052	1.5
222.06682	2.6
223.07439	2.3
224.08354	1.7
232.08795	1.2
233.09529	1.7
234.06712	1.5
235.07509	4.2
236.08386	3.1
247.07622	2.0
249.05290	1.4
249.09102	7.0
250.05998	1.1
250.09854	2.2
251.07014	2.7
252.07802	5.3
261.09003	1.8
263.06982	3.0
264.07797	3.5
265.08542	9.1
265.11066	1.4
266.09283	4.3
267.10049	1.2
275.10818	1.2
277.08527	3.3
278.09299	3.0
279.10089	2.1
280.07324	6.2
281.08057	2.7
293.08035	4.3
293.11728	6.9
295.09622	3.7
296.10455	4.6
306.08893	1.4
307.09705	2.0
311.12759	4.8
313.10693	2.3
313.14255	2.1
314.11444	3.2
321.11270	5.4
324.09943	2.4
325.10535	2.4
339.12234	32.5
340.12820	3.6
341.13809	1.3
353.13751	2.4
355.10095	1.1
358.13989	1.7
371.14828	41.5
372.15234	1.4
380.23685	1.3
462.61511	1.3
505.11523	0.8
505.18506	16.9
515.16809	2.0
519.19696	1.4
529.18182	1.5
547.19373	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	547.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07185	1.1
55.01851	2.0
69.83270	3.7
79.05503	1.5
81.07034	1.6
90.36035	1.0
91.05470	2.4
93.07027	1.8
103.05453	1.3
105.07034	2.4
110.03660	1.8
118.23634	1.3
119.04932	2.4
121.10080	1.3
123.08041	1.1
124.07565	1.9
125.05918	1.3
131.04933	1.9
133.06522	1.3
137.05994	3.5
138.09161	1.8
145.06424	2.9
147.04370	2.3
147.07991	1.4
149.05972	7.9
151.07510	11.2
153.05437	5.2
161.05991	4.2
162.06799	1.4
167.07076	4.6
175.07422	2.8
177.05431	7.1
177.06834	1.5
191.07050	1.3
203.07019	4.6
205.04950	3.0
207.08054	1.4
208.20900	1.2
215.06992	1.7
234.06755	2.2
235.07523	2.5
236.08310	1.3
249.09067	1.5
251.07162	1.7
252.07899	2.2
253.08629	1.3
263.07077	3.0
264.07819	1.6
265.08719	2.3
275.07028	1.1
277.08524	1.8
281.08011	1.6
287.06686	1.1
291.10025	1.3
295.09659	2.4
306.15955	1.5
307.09714	1.9
308.17648	1.9
309.11133	1.5
311.08914	1.3
319.09531	1.5
322.19321	1.4
323.09027	9.7
327.12250	1.4
334.15497	2.0
335.16269	1.3
336.20712	2.7
337.10382	2.5
338.15152	1.7
339.12152	1.5
348.16980	2.8
349.11041	1.4
349.17841	11.8
350.14893	4.4
350.18738	1.5
351.12302	1.9
352.13141	1.4
355.11652	19.2
364.20090	10.8
366.18076	2.6
367.11612	2.3
378.14426	1.8
380.19516	8.5
382.21198	9.7
392.16098	3.1
393.16772	3.5
408.19101	100.0
409.19592	3.7
511.17456	2.0
515.17255	1.5
517.18463	1.4
529.40631	1.2
547.19806	6.2
547.29004	93.0
548.29230	2.9
571.59753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2153
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
62.14361	0.3
69.62776	0.9
75.37153	0.3
98.09315	0.3
113.02135	0.7
137.05951	0.4
148.97867	0.4
155.03185	2.0
165.65463	0.5
186.06642	0.4
187.20700	0.4
189.05287	0.8
204.07588	3.6
205.08363	0.5
217.08307	2.4
365.12109	0.6
415.17303	0.5
511.28412	0.6
546.37048	0.3
547.21405	100.0
548.21912	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	547.2918
Annotation	CHEBI:70543
Peak:m/z	Relative Intensity
69.14788	1.8
69.15208	2.0
81.07018	0.7
91.05464	0.9
91.75421	0.5
93.07001	0.6
95.04926	0.5
96.08056	1.0
98.22726	1.5
98.97537	0.7
107.08549	0.6
111.04462	0.6
114.47273	0.6
116.98561	0.9
121.10008	0.6
124.07508	2.0
137.05916	1.4
138.09132	1.0
142.71278	0.5
155.08842	0.6
167.06992	1.5
167.37901	0.6
175.07393	0.6
177.05478	1.0
217.36623	0.5
229.01067	0.8
289.08466	0.6
306.15967	1.6
307.13379	0.7
308.17538	1.3
320.13971	1.0
320.17584	0.8
322.19031	1.7
324.20810	1.2
334.15488	1.9
336.13306	1.5
336.20612	3.1
337.18958	0.6
338.15070	1.0
348.16946	2.9
349.17877	9.3
350.14645	2.9
350.18698	0.9
364.16614	0.9
364.20239	11.5
365.18304	0.9
366.14053	0.7
366.18134	2.4
367.18832	0.7
378.14377	2.0
378.21692	1.8
379.15424	0.6
380.19681	5.9
382.21194	10.3
392.16336	3.0
393.16727	3.7
408.19138	100.0
409.19418	5.3
487.18225	1.0
494.17603	0.7
501.18936	0.8
529.18665	1.5
547.29108	88.5
548.29419	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	547.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96525	1.9
67.05478	0.7
69.07020	1.2
71.43215	0.6
81.07011	2.7
84.95967	0.7
95.08597	1.1
96.08056	0.7
98.97568	10.6
103.05420	0.7
116.98591	3.9
121.10137	0.9
124.07516	1.9
132.20773	0.6
134.99623	1.0
137.05943	1.2
138.09094	2.2
143.00095	2.1
153.01828	0.9
158.99620	2.0
161.01164	1.7
167.06992	2.1
170.99648	1.4
177.00685	2.7
182.04823	0.7
182.99571	1.1
189.00620	2.1
201.00726	2.2
219.01787	4.1
227.67433	0.7
237.02721	1.5
241.13052	0.7
249.02870	3.8
267.03751	1.2
279.75372	0.7
291.03836	6.8
306.15945	2.0
308.17761	1.4
310.11765	0.8
318.61008	0.8
320.13892	0.8
322.18979	2.0
334.15356	2.5
336.13336	1.4
336.20761	2.5
337.19162	1.1
338.14911	0.8
348.17087	3.0
349.17917	9.9
350.14856	4.0
350.18521	1.3
355.14246	2.4
364.12888	0.8
364.16940	0.7
364.20224	9.5
365.18903	0.9
366.18146	1.8
367.14267	1.0
376.16705	0.7
378.14551	1.6
378.21780	1.1
380.19656	7.7
382.21185	10.0
392.16000	3.1
393.16821	4.4
408.19107	100.0
409.19312	6.6
487.18347	13.9
493.89920	0.8
529.28394	1.2
547.29041	86.9
548.29620	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	547.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.0
67.05450	2.1
69.03378	1.0
69.07016	1.1
79.05450	1.5
81.03371	0.7
81.07006	1.7
83.59393	0.5
85.02853	0.9
86.09669	0.6
90.15647	0.5
91.05423	2.1
93.07042	2.6
94.84130	0.5
95.04912	1.5
95.08551	1.5
96.08064	0.8
97.02886	0.6
105.06973	1.7
107.08552	1.2
109.06479	0.5
109.10104	1.2
119.08548	0.9
121.10088	1.1
123.11649	0.5
124.07516	2.1
124.08305	0.5
124.99941	0.7
127.03800	0.9
129.06967	0.6
131.08498	0.5
133.10042	1.3
137.05925	0.9
138.09068	1.4
141.02100	0.5
145.02806	0.5
145.10005	0.6
153.01750	0.9
155.08374	0.7
159.07985	0.7
163.10944	0.6
177.05400	1.2
184.07262	1.8
201.16367	0.7
270.10034	1.2
271.10706	0.8
292.14597	1.1
294.16064	0.6
301.14130	0.7
306.16000	2.0
308.17529	0.7
313.36813	0.5
321.18359	0.8
322.19156	1.7
334.15536	2.8
336.13351	1.4
336.17145	0.7
336.20419	3.1
337.19202	0.7
338.14981	1.6
348.17001	3.4
349.17868	10.3
350.14905	4.9
350.18619	1.8
351.19302	0.5
354.21896	0.8
364.12997	0.9
364.20135	10.7
365.18262	1.0
366.18167	1.6
378.14352	1.6
378.21875	1.5
379.15082	1.1
380.19568	7.4
382.16696	0.9
382.21274	9.5
383.21335	0.8
386.28543	0.6
392.15982	3.2
393.16766	4.2
408.19150	100.0
409.19431	4.7
410.19943	0.6
529.28436	0.7
547.29138	89.1
548.29596	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	547.3242
Annotation	Westiellamide
Peak:m/z	Relative Intensity
67.05504	8.3
69.25962	7.5
69.26367	11.5
79.05483	6.1
81.07050	7.6
91.05444	3.5
93.07049	7.0
95.08602	5.9
98.22697	5.7
98.52868	3.0
103.58954	3.6
105.07011	3.7
107.63712	3.2
119.08622	4.2
133.31740	2.9
163.14090	3.2
205.31938	3.1
247.13005	6.8
267.15573	7.5
289.98569	3.6
323.18246	3.6
368.69702	3.2
547.32227	100.0
547.38464	4.9
548.32031	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	547.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74035	0.9
53.03933	2.7
55.01863	6.6
55.05264	1.2
55.05510	17.3
57.03428	9.4
57.07060	3.2
65.03919	3.1
67.05499	63.7
68.05811	1.7
69.03422	3.1
69.07062	22.2
71.04984	7.4
73.14765	1.1
77.03921	1.7
79.05485	47.2
79.05948	2.3
81.03394	3.2
81.07049	65.5
83.04974	8.9
83.08617	6.8
83.94153	1.0
85.06524	8.4
91.05473	72.1
92.05828	1.2
93.07034	50.6
94.07343	1.5
95.04963	11.2
95.08592	22.2
97.06506	5.7
97.10129	2.3
98.22632	2.2
99.04443	2.7
99.08060	2.6
103.05457	1.2
105.04536	1.9
105.07021	79.1
107.04968	3.0
107.08587	48.8
108.08915	1.8
109.06528	6.5
109.10147	61.4
113.05995	3.3
115.05422	1.1
117.06993	13.3
119.08563	40.6
119.09419	2.0
121.10142	15.8
123.08119	2.5
123.11681	10.6
125.09597	2.5
127.07557	3.1
128.06233	2.2
129.05482	1.5
129.06993	7.4
131.08542	22.2
133.10117	100.0
134.10446	2.4
135.08002	1.2
135.11674	16.0
143.08536	7.7
145.10115	18.2
147.11679	31.8
149.09605	1.9
149.13286	7.9
151.11165	45.3
157.10112	8.1
159.11696	14.3
161.09634	4.3
161.13240	26.5
163.11130	2.2
163.14861	3.1
169.10051	1.7
169.12198	10.3
171.11702	10.6
173.13222	11.3
175.14809	10.1
177.12737	2.1
179.10683	1.9
185.13229	10.0
187.14786	5.1
189.16342	1.6
199.14742	5.8
201.16389	2.1
203.14375	1.3
213.16295	2.2
215.12711	5.0
224.75252	1.3
229.21416	1.0
231.21062	7.3
241.19484	29.0
253.14319	74.4
254.14673	2.6
257.18954	2.0
259.20551	57.8
260.20959	1.9
265.95001	1.1
271.15375	50.3
273.17181	1.3
274.04895	1.1
275.20081	1.8
277.21683	6.2
300.88007	1.2
301.21555	1.3
315.22888	5.3
333.24207	35.0
334.24615	1.6
351.25238	2.9
419.29279	1.6
437.30365	3.0
455.31049	2.4
455.48215	1.2
511.34042	6.6
529.35254	17.5
547.37183	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	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01866	4.3
55.05508	33.1
57.03430	6.8
57.07062	5.0
64.57449	1.6
65.03936	5.2
67.05499	100.0
67.94020	1.5
69.03407	2.8
69.07063	26.5
71.04987	34.6
71.08634	3.6
79.05486	54.0
81.03416	26.2
81.07053	71.6
83.04973	11.6
83.08607	20.4
85.02912	5.9
85.06560	3.2
85.10215	1.6
89.06037	4.5
91.05472	47.1
92.05816	1.9
93.07037	56.0
95.04965	22.7
95.08600	49.4
97.06544	6.7
97.10164	8.5
99.08108	1.7
105.04520	4.2
105.07024	24.4
107.04949	5.5
107.08583	30.3
108.08991	1.6
109.06520	4.9
109.10149	46.0
111.08101	4.3
111.11717	1.7
117.07019	8.9
119.08575	29.9
119.09422	2.1
121.06516	5.0
121.10132	20.6
123.08071	3.7
123.11715	6.5
125.09666	5.1
129.07025	5.2
131.08557	12.3
133.06555	1.7
133.08607	1.7
133.10117	15.2
134.10501	1.7
135.08092	2.5
135.11685	19.5
137.09618	14.7
137.13229	3.1
142.07767	1.6
143.08563	3.6
145.10120	15.0
147.08057	2.8
147.11681	10.8
149.09648	2.5
149.13263	4.6
151.11174	4.0
155.10664	2.6
157.10168	4.3
159.11717	5.4
161.13339	5.2
163.11209	5.8
163.14816	1.6
169.10103	1.7
169.12315	3.6
171.11700	2.0
173.11809	3.4
173.13281	4.3
175.11111	2.9
181.12213	3.4
185.13307	2.6
187.14830	3.3
191.14415	1.7
193.12228	14.1
199.14862	1.9
211.13376	8.3
227.12807	5.5
240.98833	1.8
261.22183	3.7
263.23679	2.3
267.15866	14.6
271.15265	2.9
285.16937	1.9
287.23773	2.5
303.26938	2.2
337.27338	8.5
361.27295	2.0
400.22919	1.8
426.20758	1.7
437.33652	2.9
452.92374	1.7
455.35126	7.7
473.35938	6.3
503.37036	12.1
515.37329	4.5
529.38892	21.0
530.38800	2.5
547.39862	85.8
548.40271	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	548.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.8
57.03427	16.4
60.59447	2.7
67.05497	20.3
69.03423	6.9
69.07053	10.5
71.04987	6.7
75.24899	2.6
79.05476	19.9
81.03414	92.7
81.03891	4.9
81.07053	21.8
83.04958	10.8
83.08614	20.5
85.02886	12.7
91.05475	26.5
93.07014	14.0
95.04959	29.2
95.08594	12.9
97.02879	6.4
97.06473	3.0
97.10171	4.5
101.59090	2.9
105.07026	25.5
107.04945	9.9
107.08556	6.2
109.06506	7.2
109.10139	4.8
111.08060	9.4
117.06971	4.5
119.08589	16.4
121.06480	3.7
121.10128	7.3
123.08091	4.8
125.00065	3.4
129.06990	14.0
131.08539	11.7
133.06479	4.0
133.10110	8.6
142.07768	4.4
145.10085	3.6
147.08076	3.5
147.11658	11.1
149.09575	6.8
157.10086	11.1
165.12639	3.7
175.11183	13.1
184.07323	9.4
193.12242	40.0
211.13271	19.0
249.14754	3.7
267.15869	100.0
273.14871	4.4
285.16925	22.5
317.55112	3.4
367.22644	7.9
385.23642	8.7
433.25879	6.9
459.27454	35.6
477.28503	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21341	0.9
69.75464	3.1
88.51826	0.9
98.23261	2.1
105.50115	1.1
120.34814	1.0
126.40686	1.0
161.06581	1.5
178.52240	0.8
207.00238	1.6
215.07675	1.4
222.12830	1.0
225.01233	11.2
231.43471	0.9
283.06937	1.6
287.02762	16.6
305.04959	14.6
305.10831	4.2
323.05008	2.2
335.06064	6.4
336.04376	7.2
353.07028	24.7
354.06982	2.1
415.08704	4.2
433.09833	7.0
434.08267	3.7
451.10730	27.1
452.10440	1.7
513.12280	3.1
531.13354	10.4
549.14410	100.0
550.14679	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	549.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42987	0.5
69.43138	2.6
79.05489	0.5
93.07039	0.6
98.23282	1.6
105.06966	0.8
122.03649	0.6
132.07767	0.5
137.05956	4.8
153.01877	0.8
159.07053	0.5
161.05905	0.7
162.51994	0.5
165.26176	0.5
167.06998	0.8
167.21657	0.5
221.04146	1.3
222.92871	0.5
257.35406	0.5
320.01678	0.6
351.14096	16.3
549.19208	100.0
550.19556	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	549.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01867	1.8
57.03433	3.4
65.03935	1.0
67.05485	1.0
67.60249	0.5
69.03423	13.5
69.92093	1.0
69.92429	0.8
71.01363	1.2
71.04996	1.3
73.02911	3.0
79.05499	1.8
81.03413	3.4
81.07027	1.0
85.02895	10.4
87.04463	1.6
91.03941	0.6
91.05469	1.3
93.07024	0.6
95.04979	0.7
97.02901	3.6
101.02409	0.7
103.05468	1.4
105.07014	1.5
107.04943	1.2
107.08599	0.5
109.02871	1.5
109.06494	0.7
115.05462	0.6
117.07018	0.7
119.08593	0.8
121.02882	0.9
121.06496	1.5
121.10175	1.0
122.09667	2.2
125.05977	0.6
127.03907	1.6
128.06201	0.7
131.04953	1.4
131.08618	0.8
133.10146	0.7
135.08038	1.4
137.05995	2.4
141.06973	0.5
143.04953	0.5
144.05801	0.8
145.06499	1.5
147.04408	1.0
151.03873	0.6
151.07451	0.7
152.06206	0.9
153.01862	1.7
153.06946	0.6
159.08075	1.4
161.05994	1.6
161.09598	3.1
163.07487	0.9
165.05579	1.0
165.07036	3.0
166.07770	1.1
167.07080	1.5
167.08490	1.1
169.06523	1.4
171.08012	0.8
175.07573	2.1
177.05414	1.0
178.07819	1.0
179.07045	0.7
179.08585	1.5
181.04962	3.0
181.06494	3.5
182.07283	1.7
183.08072	0.6
185.05911	0.5
189.07007	0.7
190.06248	0.9
190.87689	0.5
191.06990	0.9
191.08591	1.4
193.06482	1.1
193.10147	0.7
194.07257	2.5
195.07997	3.9
196.05151	0.5
196.08873	1.6
197.05972	1.6
197.09639	0.8
198.06758	1.1
199.07558	1.1
201.09090	0.7
202.07808	0.6
203.08585	0.8
205.06459	1.3
206.07288	1.0
207.07986	2.9
208.05229	1.0
208.08862	1.4
209.05972	3.8
209.09694	1.9
210.06671	2.6
211.07561	3.8
212.08318	3.4
213.09050	1.1
215.06941	0.7
218.07356	0.8
219.08064	1.6
220.08824	1.4
221.06017	4.2
221.09503	2.7
222.06760	2.0
222.10336	1.3
223.07526	3.9
223.11214	0.7
224.08273	7.6
225.09062	4.0
226.06209	1.0
227.07059	0.7
227.10754	0.7
232.08733	0.7
233.05960	1.1
233.09717	1.0
234.06773	1.3
235.07451	4.2
235.11247	0.8
236.04698	0.9
236.08324	2.2
237.05418	5.5
237.09038	4.8
238.06297	1.7
238.09798	2.6
239.07031	5.5
239.10760	2.6
240.07773	6.6
241.08571	3.4
242.09418	0.8
247.07660	1.5
248.08261	1.1
249.05426	0.6
249.09070	3.3
249.11333	2.6
250.06253	1.5
250.09877	2.3
251.07034	7.5
251.10638	2.3
252.07800	34.2
253.05818	0.9
253.08588	7.5
253.12241	1.4
254.05821	0.9
254.09317	2.1
255.06668	1.2
255.10124	1.6
256.07321	1.7
256.11002	1.3
257.08087	1.4
257.11734	1.9
261.09103	0.9
263.06924	3.2
263.10843	0.9
264.07816	2.7
265.04800	0.9
265.08603	6.8
265.12061	1.4
266.05759	0.5
266.09360	3.5
267.06552	2.1
267.10162	4.6
268.07379	2.3
268.10867	3.1
269.08160	3.7
269.11771	8.1
270.08908	0.8
271.09680	0.8
275.06931	0.9
277.08585	2.2
278.09344	3.9
279.06580	2.3
279.10138	3.5
280.07318	4.8
280.10806	1.3
281.08105	5.8
281.11752	2.3
282.08905	2.8
282.12411	0.9
283.06497	0.7
283.09683	3.3
283.13229	1.6
284.10400	8.3
285.08005	0.4
285.11200	11.8
287.12460	0.6
289.08475	0.8
290.09457	0.9
292.07407	0.9
293.08139	2.8
293.11758	2.6
294.08823	1.8
294.12109	0.7
295.06314	0.7
295.09601	8.1
295.13016	0.9
296.06970	0.5
296.10385	16.9
296.13730	1.2
297.07645	2.5
297.11206	9.2
298.08514	1.4
298.11899	0.8
299.09415	1.1
299.12781	1.8
300.09915	2.9
306.08978	0.9
307.09537	1.3
308.10257	0.7
309.07806	0.8
309.11002	2.7
310.08667	0.7
310.11996	1.8
311.09149	2.5
311.12811	8.3
311.16251	0.6
312.09897	2.3
312.13583	1.5
313.10699	15.7
313.14371	4.9
314.11383	1.3
321.11270	2.3
323.09286	1.6
324.09943	1.0
325.10718	10.8
325.14343	1.8
326.11313	1.7
327.12250	8.0
328.12912	7.9
331.15524	2.8
337.10815	1.2
338.11279	0.9
339.12210	15.0
340.13083	5.5
341.10120	4.7
341.13943	2.8
343.15366	51.9
344.15817	2.4
351.12271	0.9
353.13861	2.2
355.11618	4.0
356.12335	1.3
357.13263	1.9
359.14783	5.5
369.13278	7.4
371.14871	40.1
372.15280	1.8
373.12845	1.9
387.14331	12.7
406.80090	0.7
429.31784	0.5
517.17950	0.9
549.19592	100.0
550.19971	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	549.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51950	0.7
53.03942	2.0
55.01868	1.5
55.05507	1.0
57.03440	4.9
59.04993	1.3
67.05480	2.3
69.03425	14.6
69.07023	1.1
70.04870	2.4
71.01318	1.0
71.04974	1.2
73.02902	3.1
79.05473	2.3
81.03412	4.1
81.07037	2.3
85.02900	11.8
87.04445	1.7
91.05476	3.7
93.07021	1.0
93.61498	0.8
95.04962	1.8
95.08611	1.5
97.02896	5.7
97.06512	0.8
99.04435	1.7
105.07018	2.4
107.04909	1.4
107.08585	1.2
109.02877	2.3
109.06526	1.5
109.10237	0.9
111.04466	1.1
115.05436	1.1
117.07018	1.2
119.04966	1.0
119.08595	2.0
121.02854	1.5
121.06488	2.0
122.09649	9.2
123.08038	0.8
127.03868	2.4
129.06992	1.1
131.04924	1.6
131.08472	0.8
133.06554	0.8
133.10123	1.9
135.08000	1.0
137.05959	3.5
145.06485	1.3
147.04431	1.5
147.08025	1.1
151.03864	1.6
153.01752	1.1
153.05394	0.9
153.06992	1.9
159.08012	1.9
161.05954	1.2
161.09563	3.9
162.06743	1.0
164.65581	0.9
165.06990	3.0
166.07660	1.3
167.07005	2.4
167.08475	1.3
169.06520	1.3
175.07524	2.0
177.05464	1.1
177.06952	0.8
178.07751	1.5
179.08517	2.3
181.04907	5.3
181.06514	5.1
182.07202	2.0
183.08168	1.2
189.06964	1.5
191.08556	1.4
193.06485	1.8
194.07207	2.4
195.08073	5.2
195.09628	0.9
196.08850	1.8
197.05896	2.4
197.09508	0.8
198.06702	1.5
199.07492	1.0
202.07784	1.2
203.08598	1.3
206.07285	1.6
207.08028	3.7
208.08749	1.7
209.05959	3.7
209.09561	1.3
210.06747	3.1
211.07568	4.2
212.08319	3.3
213.08990	1.4
215.06924	1.6
218.07230	1.2
219.08009	2.9
219.09979	1.1
221.05997	4.3
221.09579	2.0
222.06763	3.4
222.10320	1.4
223.07507	4.0
224.08266	7.8
225.09038	5.0
226.06169	1.2
226.09912	1.2
231.08081	1.3
233.05959	0.9
233.09418	1.2
234.06743	2.0
235.07463	4.1
236.08324	3.0
237.05447	5.8
237.09077	5.7
238.06166	3.0
238.09825	3.2
239.07004	5.2
239.10567	3.5
240.07730	7.7
241.08566	4.4
247.07530	2.5
248.08311	1.8
249.09044	3.5
249.11290	3.3
250.06163	2.6
250.09834	2.6
251.07051	8.9
251.10657	3.1
252.07797	45.0
253.08524	10.9
254.09334	1.3
255.06444	1.0
255.10156	1.9
256.07349	1.3
256.10880	1.6
257.08011	1.2
257.11707	1.5
261.09128	1.7
263.06961	3.4
264.07681	4.8
265.04956	1.4
265.08551	9.8
265.11453	1.1
265.12177	0.9
266.05728	1.0
266.09348	3.2
267.06491	3.4
267.10117	6.1
268.07288	2.7
268.10916	1.4
269.08276	6.5
269.11554	7.4
270.08664	1.5
277.08621	1.6
278.09283	4.0
279.06607	2.0
279.10162	3.8
280.07281	6.4
280.10599	1.6
281.08075	8.8
281.11670	2.5
282.08774	3.5
283.09567	4.4
283.12988	2.0
284.10425	9.7
285.11105	15.2
293.08005	3.8
293.11700	3.3
294.08862	2.5
294.12204	1.2
295.06256	1.4
295.09558	9.4
296.07059	1.1
296.10370	23.7
297.07596	2.5
297.11139	11.6
298.08344	1.8
298.11807	2.0
299.09573	1.1
299.12833	3.2
300.09921	2.0
305.08154	1.0
305.11481	1.1
306.08856	1.7
307.09644	2.9
308.09998	1.3
309.08038	1.2
309.11154	5.7
310.08466	1.1
310.11871	2.7
311.09149	2.9
311.12689	8.7
312.09769	3.6
312.13168	1.1
313.10629	17.3
313.14288	8.0
314.11215	1.2
321.11096	4.5
323.09113	1.4
323.12582	1.3
324.09784	1.0
325.10678	11.1
325.14484	2.3
326.11331	2.8
327.12238	10.3
328.09512	1.5
328.13043	7.9
331.15335	3.9
336.09543	1.1
337.10730	1.4
338.11139	1.0
339.12247	18.7
340.12903	7.5
341.10501	5.2
341.13467	5.2
343.15369	60.3
344.15717	2.5
351.12204	1.6
353.13782	3.0
354.11179	0.9
355.11499	5.7
356.12482	1.5
357.13232	3.0
359.14896	4.4
369.13284	10.5
371.14859	45.7
372.14981	2.4
373.12808	2.0
387.14212	14.0
417.87698	0.9
447.28378	1.0
449.40836	1.0
517.18011	1.2
549.19470	100.0
549.26654	13.9
550.19989	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	549.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.5
52.28529	2.2
53.03944	3.6
53.83031	2.2
55.01855	4.3
56.68978	2.2
60.89325	2.9
63.69806	2.2
65.03939	21.5
67.05496	3.3
79.03351	2.2
79.05473	7.9
81.07073	2.4
82.04189	3.2
91.05469	43.3
93.03379	13.9
94.04173	2.4
95.01353	2.9
95.04952	8.9
103.05471	6.7
105.03378	6.4
105.07029	13.6
106.04168	12.0
107.04946	12.2
109.06508	5.1
110.03644	20.5
111.04449	17.8
114.06858	2.5
115.05438	6.2
119.04935	35.1
121.06477	12.5
123.04438	6.1
123.08089	3.4
125.05968	25.8
128.06200	6.7
129.06993	9.9
131.04906	9.8
133.06473	17.6
134.03598	3.0
137.05988	17.1
144.05661	5.8
145.06470	10.3
146.07230	3.0
147.04385	16.1
147.08023	5.8
148.05165	3.1
149.05977	16.4
151.07515	18.4
153.05449	100.0
158.14333	2.6
159.08075	12.3
160.05197	2.9
161.05939	17.9
162.06718	4.0
165.05530	4.0
165.06917	3.7
167.07021	70.7
171.04430	5.4
172.05208	9.0
174.06761	20.3
175.07539	21.4
177.05421	9.6
178.07776	2.3
179.07011	6.2
181.05008	3.0
181.08498	2.8
182.98116	2.2
185.05977	4.0
186.06738	9.1
187.07526	30.4
189.07036	5.0
190.07776	3.2
191.06932	3.0
191.08592	4.5
193.46025	2.7
199.07492	9.4
202.07680	3.2
203.08537	4.9
204.07768	8.5
205.06511	2.9
206.07243	2.9
207.08179	4.7
209.08008	21.8
215.08571	4.5
216.07787	22.7
218.07254	4.9
219.07988	16.6
220.08797	7.2
221.05864	4.5
229.08600	17.8
233.05997	3.2
233.09608	5.1
234.06688	3.3
235.07478	13.0
236.08238	9.6
237.09123	5.6
247.07518	10.3
248.08374	6.8
249.09064	7.1
251.06908	5.2
251.10693	21.5
261.09024	9.9
262.06085	3.7
263.06976	7.9
264.07755	24.5
265.08578	12.9
266.09393	4.3
275.07053	5.9
276.07651	6.4
277.08621	9.8
278.09305	7.4
279.07297	2.6
279.10025	18.6
280.10757	2.9
281.08319	3.4
281.11591	7.0
289.08380	4.6
292.07553	4.8
293.07980	7.2
293.11560	3.3
295.09747	3.0
297.11087	2.8
306.08835	3.4
307.09564	71.8
307.12814	5.0
308.10352	12.6
309.11203	9.5
311.12589	4.5
321.11200	8.1
323.12646	4.4
324.09967	2.7
325.10663	3.6
327.12021	3.5
336.66949	2.9
339.12213	74.7
340.12973	27.7
341.13843	5.3
351.12119	5.4
352.13022	3.7
353.13773	5.3
468.68051	2.7
499.17340	4.4
501.19302	5.0
517.18768	3.9
531.20142	3.3
549.22833	30.5
561.69086	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	549.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87244	4.0
55.01868	8.2
55.57193	5.1
60.08208	4.8
65.03936	22.5
67.05487	5.0
67.92570	4.5
69.72041	9.8
69.72429	8.3
79.05505	9.2
82.04198	6.3
91.05492	49.1
93.03409	11.3
93.07067	10.3
95.01341	6.1
95.04964	11.6
98.22746	7.8
98.23352	8.6
98.97584	6.0
103.05472	8.5
105.03387	6.9
105.04454	4.9
105.07015	20.3
106.04214	10.9
107.04943	9.5
109.06528	9.4
110.03675	17.6
111.04490	22.7
115.05484	6.8
116.32478	4.4
117.06973	4.5
119.04929	36.9
121.06486	13.5
123.04399	6.8
125.05974	27.7
129.06981	7.4
131.04930	12.9
133.06506	12.0
137.05977	19.8
138.03093	4.9
144.05707	6.1
145.06479	13.6
146.07040	4.0
147.04396	11.7
147.07971	5.3
149.05971	22.4
151.07527	16.5
153.05466	100.0
156.05652	5.7
159.08078	13.7
161.05995	26.7
167.07037	63.8
172.05194	6.2
173.05980	4.4
174.06818	21.9
175.07568	20.0
177.05473	11.3
179.07062	13.2
181.08600	5.6
185.05978	6.4
186.06760	9.9
187.07539	31.2
187.14748	5.8
189.07068	7.0
190.07848	6.5
199.07608	10.7
203.08611	7.6
204.07828	10.5
207.08115	5.9
208.08788	6.1
209.06387	5.1
209.08047	26.7
216.07785	22.1
217.06622	4.7
218.07217	6.6
219.08083	20.0
220.08875	6.7
229.08586	19.4
233.05939	5.5
233.09410	6.1
234.06790	6.8
235.07509	9.3
236.08203	6.7
246.06815	9.1
247.07553	15.5
249.09114	4.8
251.06955	6.8
251.10655	10.8
259.07410	6.1
261.09137	8.8
263.06955	8.9
263.10825	5.8
264.07840	18.4
265.08640	13.7
275.06882	7.5
276.07712	4.7
277.08591	12.5
278.09482	6.5
279.10184	15.5
281.11627	6.9
293.08075	8.7
295.09848	6.5
306.08960	5.3
307.09653	84.2
308.10461	15.5
309.11212	10.0
319.09518	4.6
321.11023	9.3
322.11935	5.3
327.12009	6.7
337.10446	5.0
339.12283	92.4
340.12915	34.7
341.13525	4.6
351.13867	8.8
489.18631	6.6
499.17764	8.0
549.20825	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	549.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
53.66433	0.7
55.01874	1.4
55.05499	3.9
57.03423	1.9
61.02914	1.3
67.05495	10.2
69.03433	7.8
69.07059	1.9
70.06595	1.0
71.04979	2.4
71.25925	0.9
73.02908	1.8
79.05495	11.0
81.03408	3.6
81.07062	5.7
83.04963	4.5
85.02895	14.2
91.05464	6.9
93.07040	4.1
95.04976	7.3
95.08607	3.9
97.02890	4.7
97.06527	3.8
98.22997	1.3
99.04445	11.0
105.04446	1.4
105.07013	11.6
107.04955	14.5
107.08598	3.8
108.79375	0.8
109.02868	2.7
109.06511	8.7
109.10144	40.0
111.04415	5.4
111.08072	1.0
117.07008	3.4
119.08569	10.6
121.06515	3.7
121.59522	0.8
123.04417	1.0
125.05981	1.5
127.03930	3.2
128.06210	6.4
129.07005	3.8
131.08582	1.8
133.06490	2.0
133.10107	12.5
135.08112	1.0
137.05986	2.0
137.09599	59.2
143.07103	1.0
143.07330	1.4
143.08539	17.1
145.10115	2.9
146.07272	3.8
147.08031	13.2
153.01836	1.6
153.44257	0.9
161.09604	100.0
162.09982	2.6
163.11151	5.3
165.09103	91.4
166.09500	1.1
171.08018	3.0
174.06789	3.3
177.05408	0.9
179.10658	7.9
181.12277	1.1
189.09088	21.4
197.11772	1.6
207.10149	61.3
208.10413	1.0
225.11208	9.1
260.33612	0.8
280.31854	0.9
313.11798	1.6
342.12079	1.6
369.15283	2.0
387.16470	26.0
387.21552	1.6
388.22791	1.0
489.14642	1.6
517.14642	1.1
521.40857	1.0
549.18225	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	549.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.0
55.05515	3.9
55.21122	3.5
57.03407	3.8
64.18782	3.7
65.03924	3.7
67.05495	12.7
71.42963	3.8
79.05499	10.8
80.05816	4.0
81.03400	12.7
81.07053	11.8
83.08632	6.0
86.17667	4.3
91.05518	6.0
93.07034	7.2
95.04942	7.0
105.07027	10.3
107.08546	9.3
109.06541	4.8
109.10136	10.4
121.10123	4.6
126.47375	3.3
133.10120	13.4
144.18687	3.3
151.92970	3.4
153.50078	3.5
228.37653	3.1
246.13109	3.5
248.90173	3.4
253.14268	20.9
254.14674	10.8
267.15912	7.5
268.16022	6.8
271.15359	7.0
388.72443	3.6
463.26971	4.1
464.27197	4.6
531.25873	5.4
532.85333	4.2
549.23370	100.0
549.31049	38.6
550.24713	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	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
54.01419	3.5
55.01858	4.7
55.05503	47.3
57.03410	8.8
57.07062	11.2
67.05492	47.5
69.07057	38.1
69.23338	9.0
69.23747	9.7
71.04954	3.6
71.08633	4.2
79.05488	30.0
81.03410	53.0
81.07047	62.3
83.04980	8.7
83.08612	41.7
83.65968	3.4
85.02902	19.4
85.06519	5.6
91.05476	26.9
93.07048	22.5
95.04961	24.5
95.08594	49.3
97.06518	4.4
97.10149	17.4
105.07005	20.2
107.04933	3.7
107.08586	15.3
109.10167	21.4
111.08067	7.5
119.08558	19.0
121.06507	3.4
121.10139	17.0
123.11663	6.1
129.07004	6.9
131.08572	9.7
133.10127	9.4
135.11665	8.8
135.13284	3.1
145.10106	3.8
147.11682	11.6
149.09633	4.7
157.10092	9.0
163.14842	4.2
166.15968	3.4
175.11183	14.3
176.98570	3.6
193.12231	50.9
211.13272	55.0
226.59485	3.4
247.24342	4.0
265.25320	5.4
267.15912	6.9
299.34430	3.9
339.29184	3.5
343.32077	3.7
481.01392	3.7
531.39935	5.0
549.41437	100.0
550.41827	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	24.6
57.03441	26.3
67.05507	19.9
67.30227	17.9
69.03421	77.3
69.44492	79.5
79.05465	30.3
81.03409	18.3
81.07061	87.4
83.26656	14.6
85.02895	75.5
87.04450	42.1
87.34315	15.1
91.05444	31.7
93.07039	63.7
95.04965	18.7
95.08598	93.2
97.02882	72.3
98.22712	18.8
100.46451	15.9
103.05428	23.1
105.07015	96.8
107.08594	93.0
109.10142	97.7
115.03923	75.9
119.08562	69.9
121.10162	42.8
123.11691	26.6
131.18336	15.4
133.04950	91.0
133.10127	33.0
137.02362	27.8
137.05960	44.3
145.10089	20.8
147.11670	48.9
153.01772	21.2
161.13268	29.6
167.07024	30.2
203.17880	100.0
221.19067	18.0
226.82321	18.7
354.67737	15.8
355.16373	17.1
551.24335	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.103
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.25600	0.2
53.03940	1.6
55.01866	0.9
56.02349	0.2
56.20001	0.2
57.03428	0.8
61.02921	0.9
62.94651	0.2
63.21360	0.2
65.03940	0.3
68.99786	1.6
69.03424	6.6
69.92766	0.5
69.93093	0.3
71.04985	0.7
73.02921	1.0
81.03410	5.8
83.01333	0.3
85.02899	7.0
87.00824	4.7
87.01324	0.4
91.03949	0.7
93.03403	0.3
97.02884	3.2
99.04428	1.4
105.01865	2.5
105.03378	0.2
105.07023	0.2
109.02872	3.8
111.00771	1.3
117.01852	1.3
121.02882	1.0
123.04401	0.5
127.03913	6.0
129.01822	0.3
135.04379	0.2
137.02333	3.7
145.04941	1.9
145.10103	0.2
147.02859	0.4
149.02303	0.5
153.01804	6.2
155.04907	0.3
159.02881	4.4
163.03931	0.9
165.01845	2.5
173.05966	0.3
178.05058	0.4
179.05292	0.3
183.02849	0.8
183.04373	0.5
187.03864	0.4
195.02866	0.4
201.05434	2.0
205.04974	0.3
206.04492	0.4
213.05640	0.3
215.03334	0.2
219.02953	0.3
219.06636	0.5
228.04280	0.3
229.04924	5.5
231.05005	2.1
247.06010	0.8
257.04401	3.2
274.04733	0.9
285.03882	1.4
303.04962	100.0
304.05334	2.9
384.31549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1367
Annotation	6,8-Di-C-arabionopyranosylluteolin
Peak:m/z	Relative Intensity
60.25919	0.3
69.65630	0.3
71.42820	0.4
81.03413	0.3
98.21337	0.3
117.76585	0.3
137.06012	0.4
153.01865	0.7
191.75558	0.4
294.55579	0.3
303.05087	0.5
348.03885	0.4
551.13647	100.0
552.13849	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	551.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.7
61.02921	3.5
63.93445	1.5
69.03420	2.2
70.76768	2.9
79.05455	1.9
81.03392	2.9
85.02896	5.0
91.05540	2.0
93.07010	2.5
97.02890	2.3
103.05482	2.8
105.07003	2.0
107.04984	2.5
109.02850	3.9
115.05421	1.6
121.02863	3.7
121.10150	2.0
125.09631	2.9
127.03888	2.6
135.04414	8.2
137.02338	34.2
137.03391	3.6
137.05948	2.7
147.04375	3.0
153.01793	9.7
161.02295	8.4
163.03879	2.4
167.07063	2.8
171.04407	1.9
175.03926	2.5
176.00995	2.3
177.01871	3.8
177.05466	2.1
179.03363	2.3
187.03844	3.0
189.01813	7.4
191.03438	3.7
191.14281	2.5
193.08607	4.0
194.08891	2.2
195.02896	7.5
203.03362	13.4
205.05019	3.2
207.02914	6.5
209.15411	3.8
215.03246	8.4
217.04921	5.8
219.02962	3.4
221.04349	4.0
227.03468	2.7
229.04939	1.7
233.04454	4.1
243.02911	5.2
245.04312	3.1
255.02922	2.1
295.06168	3.0
297.07507	3.3
299.05646	4.3
303.05023	3.1
307.05936	2.1
308.06799	3.2
309.07452	4.3
310.04611	15.6
311.05450	50.2
311.09091	2.8
312.06250	3.5
313.07010	4.9
321.07562	3.6
322.08353	2.3
322.49084	2.0
323.05478	45.5
324.06219	10.7
325.07019	18.3
329.06631	3.6
333.07437	5.1
335.05499	5.3
335.09253	2.0
336.06250	7.8
337.07043	40.5
338.07651	6.0
339.08545	5.3
341.06546	35.2
345.07562	4.3
347.05368	2.8
349.07043	23.9
350.07895	4.0
351.08575	15.2
352.05719	3.9
353.06500	33.7
354.14639	1.8
355.08041	4.5
361.07053	13.6
363.08652	6.4
365.06519	42.4
366.07022	3.8
367.08099	17.2
371.07498	4.2
371.20648	2.6
375.08374	5.2
377.06485	28.8
379.08032	21.6
383.07651	10.2
389.06415	15.8
391.08054	14.9
393.09866	3.1
395.07553	57.2
403.08270	8.8
405.09778	3.4
407.07574	43.9
409.09183	4.9
413.08572	36.4
414.08853	1.9
415.08096	6.1
419.07507	8.8
421.09238	6.0
425.03314	3.4
425.08618	45.1
426.09113	2.1
431.07489	11.1
433.09244	8.1
437.08713	3.9
443.09763	34.4
449.08517	26.0
455.09607	2.9
461.09378	18.1
467.09573	26.9
479.09610	28.5
485.10684	33.8
491.08646	4.2
497.10718	100.0
498.10806	4.6
515.11810	67.1
516.11426	2.8
533.12878	25.8
551.13586	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1394
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
55.01862	11.1
61.02913	5.6
64.69888	1.8
69.03424	7.1
70.06590	13.9
70.98479	3.6
79.05486	3.2
81.03426	4.3
85.02908	11.1
94.28754	2.1
95.04966	4.6
97.02898	6.4
103.05478	4.1
105.07066	2.7
107.04955	13.9
107.08624	1.9
109.02884	5.1
111.04418	3.3
117.03300	2.2
121.02895	2.8
127.03915	6.6
133.06502	2.0
135.04422	12.4
135.08084	5.5
137.02336	45.5
137.03351	2.6
137.06023	3.0
147.04404	3.3
153.01810	10.1
159.04434	2.1
161.02359	8.3
163.07539	8.9
165.01816	2.0
167.07011	20.2
172.01668	2.1
173.06065	2.7
176.01170	2.2
179.03387	2.3
183.04488	2.3
187.03862	2.4
189.01834	7.4
189.05470	4.9
191.03395	6.1
192.07790	2.5
193.08597	4.5
195.02927	7.1
195.10175	4.0
203.03383	22.2
205.04903	6.4
207.02885	6.5
213.11226	16.3
215.03423	8.6
217.04977	6.7
219.02794	3.1
221.04294	3.1
227.03329	4.3
229.04967	2.5
233.04445	3.7
243.02979	5.7
245.04315	3.3
257.12976	2.5
267.12540	3.1
273.03943	3.3
284.06744	4.6
287.14865	15.2
295.05771	5.4
297.07559	3.8
299.05548	4.8
303.04910	28.9
307.11502	2.9
308.06714	2.9
309.07562	3.3
310.04642	14.3
311.05469	49.4
312.06277	7.5
313.07037	5.5
313.11722	2.3
321.07632	7.0
322.08295	3.7
323.05475	46.9
323.08984	2.7
324.06128	17.4
325.07047	18.6
328.21164	2.7
329.06299	3.1
333.07431	4.4
335.05597	5.2
336.06125	10.3
337.07007	42.9
338.07755	9.3
339.05283	3.3
339.08853	5.5
341.06503	36.3
345.07596	4.4
347.05325	2.8
349.07034	29.9
350.07715	5.8
351.04947	3.2
351.08667	20.5
352.05576	2.5
353.06506	38.5
355.08218	3.3
361.07034	16.0
363.08566	10.0
364.05750	2.9
365.06540	46.2
366.07364	2.5
367.08041	17.2
371.07568	3.4
375.08801	5.9
377.06396	27.6
377.10214	2.3
379.08133	23.5
383.07333	11.7
387.08661	4.1
388.23172	20.5
389.06647	14.9
389.23471	10.9
391.08237	14.7
393.09677	3.8
395.07556	63.2
402.07495	2.4
403.08270	6.5
405.09515	4.0
407.07559	51.9
409.09213	4.5
413.08679	38.6
415.08316	4.5
419.07178	10.0
421.09024	9.9
425.08621	52.9
431.08292	9.7
433.09232	7.3
437.08731	5.7
443.09766	34.3
449.08609	31.3
455.09598	3.0
461.09094	21.4
467.09683	29.6
479.09787	26.1
485.10712	57.6
491.16495	5.6
497.10715	100.0
498.10950	3.7
515.11786	65.0
519.15887	8.3
533.05603	2.6
533.12897	24.7
550.28516	7.7
551.12238	3.3
551.20007	16.8
551.28931	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	551.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.3
56.11971	2.4
61.02930	3.2
68.99786	3.2
69.03423	4.7
69.19287	17.1
69.44310	3.0
70.06586	9.6
73.81174	2.9
79.05479	3.6
81.03403	5.8
85.02901	11.6
87.00806	2.9
91.05453	5.1
93.07029	3.5
95.15577	2.4
97.02880	5.8
105.07064	3.6
107.04931	5.6
107.08603	2.9
109.02876	4.7
121.02842	6.4
127.03920	4.6
135.04391	9.8
137.02348	44.4
137.03397	5.5
147.04398	2.9
153.01817	5.4
158.10825	3.0
159.04503	3.0
161.02324	10.3
161.06044	4.5
165.01820	2.7
175.03896	2.6
176.04427	2.5
177.01788	3.0
185.82341	2.4
187.03841	3.8
187.11307	2.5
189.01807	12.1
191.03349	4.9
191.14305	16.7
192.14658	6.0
195.02832	7.5
199.03896	4.8
203.03308	21.7
205.04950	4.0
207.02933	6.5
215.03404	12.4
217.05029	7.7
219.02888	7.0
221.04356	6.6
233.04424	5.1
241.04944	3.4
243.02740	3.2
245.04387	5.5
269.04587	3.1
273.03833	3.9
284.06485	5.2
295.06049	3.8
297.07480	3.9
299.05322	6.2
300.06418	3.3
303.04938	12.7
308.06937	4.0
309.07687	4.9
310.04706	21.0
310.07990	4.0
311.05466	62.1
311.09036	4.1
312.06116	8.7
313.07111	7.5
320.07001	4.2
321.07571	6.1
323.05484	56.0
324.06131	18.8
325.06958	20.1
329.06491	4.3
333.07431	5.6
334.08249	3.3
335.05484	7.4
336.06152	8.3
337.03625	2.2
337.06992	57.9
338.07748	8.5
339.08710	8.0
341.06537	49.1
345.07532	6.0
349.07037	28.0
350.07913	8.4
351.08524	23.5
352.05667	3.0
353.06451	46.6
355.07953	3.7
361.07147	21.3
363.08621	7.7
365.06491	42.8
366.06897	5.2
367.08099	22.8
371.07654	5.2
375.08334	4.8
377.06561	26.8
379.08096	26.7
383.07495	9.9
388.23193	13.7
389.06519	20.9
389.23495	8.4
391.08145	14.6
395.07623	66.8
403.08044	9.7
405.09265	4.6
407.07596	62.2
409.09280	3.1
413.08627	42.5
415.07828	3.9
419.07584	11.9
421.09073	9.8
425.08688	70.0
426.08978	4.0
431.08026	9.6
433.09268	5.1
437.08618	4.1
443.09744	51.8
449.08710	25.0
451.10370	3.7
461.09396	20.2
467.09732	36.6
479.09592	28.7
485.10745	67.4
486.12003	3.0
497.10739	100.0
498.11270	5.6
515.11865	59.0
533.13159	19.9
550.28247	5.3
551.15076	10.0
551.28668	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	551.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27650	0.6
70.92136	0.7
81.55418	0.5
91.05491	0.7
104.51298	0.6
115.05468	1.4
117.05735	1.2
117.07002	1.4
118.06537	19.3
130.06503	1.0
132.08092	5.6
137.76515	0.5
142.06523	2.6
143.07320	2.7
144.04468	0.6
144.08084	11.9
146.05997	62.1
147.06349	1.0
148.76871	0.6
159.09178	6.2
160.07578	1.3
165.22168	0.6
170.06033	4.9
188.07057	100.0
189.07426	1.5
205.09708	37.9
421.12900	0.7
428.47021	0.7
544.35297	0.6
551.13647	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	551.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.9
65.03938	4.6
67.05486	3.0
69.03419	2.9
69.07069	0.6
69.30707	3.7
71.04979	0.7
71.64053	0.6
75.83424	0.6
78.40590	0.6
79.05469	3.1
81.03405	3.5
81.07040	2.8
82.04189	1.1
82.39293	0.7
83.04961	1.0
85.02898	3.1
91.05453	3.4
93.07021	2.4
95.04950	2.9
95.08582	1.1
97.02895	1.2
97.06529	1.0
101.13296	0.7
103.05448	1.6
103.30460	0.7
105.07059	3.7
107.04954	1.7
107.08567	7.1
109.02848	1.8
109.06519	1.5
109.10130	2.1
110.03650	1.7
111.55968	0.7
115.05466	1.0
117.07039	1.0
119.08575	1.9
121.06505	1.6
121.10126	5.7
122.07275	1.7
123.04385	1.1
125.02287	0.8
127.03909	1.1
131.04913	1.8
131.08522	1.1
133.10112	28.2
135.08032	2.3
137.05934	5.1
137.09596	16.7
140.04649	5.7
147.11659	0.8
149.13249	3.0
151.03888	2.3
151.07487	0.8
153.01814	4.2
153.05482	2.3
155.07039	2.3
161.05959	0.8
163.07520	1.8
167.07028	2.3
171.06497	5.2
173.13268	2.0
177.05388	0.7
181.04939	100.0
182.05345	2.2
191.14282	12.7
191.15895	0.8
199.05972	5.8
206.75018	0.7
209.08063	0.9
219.17542	0.8
300.83902	0.8
323.09277	0.7
325.08926	4.3
341.13739	1.2
343.10251	6.2
373.15784	0.9
414.36176	0.7
425.07996	0.8
551.24622	8.8
551.30560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39741	1.2
71.78941	1.2
81.07055	1.3
91.05481	1.3
127.76383	1.2
133.10114	1.7
136.91998	1.2
142.53517	1.3
153.93855	1.3
155.22491	1.1
251.12509	2.7
254.99030	1.3
285.10193	1.8
307.15146	2.2
316.56445	1.3
493.27652	2.0
533.27588	1.6
551.26849	100.0
552.27087	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	551.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93335	3.9
58.35930	3.7
69.62201	17.2
70.38078	3.7
98.22738	6.2
243.72504	4.0
341.28467	4.3
375.94244	5.4
533.27063	8.5
551.26520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2823
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
52.19016	0.4
67.05497	0.6
76.45796	0.4
86.09702	0.5
98.28223	0.4
104.10725	0.8
117.06931	0.5
137.09619	0.4
184.07410	0.6
185.04214	0.4
203.05396	0.5
223.12904	0.4
251.12517	1.1
267.12051	0.6
343.44595	0.4
389.22952	2.2
551.28192	100.0
552.28412	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	551.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82236	1.0
55.05508	1.1
57.03426	1.1
62.23458	0.9
74.04186	1.1
79.01591	7.6
79.05492	1.5
81.03417	1.4
81.07036	2.5
86.09760	1.1
91.05498	1.7
93.07042	1.4
98.22625	2.2
120.97994	0.9
129.05473	1.7
133.10143	1.2
138.02869	5.6
139.03673	9.2
147.11528	1.1
153.05191	4.2
167.06786	1.8
193.12268	1.2
195.09969	1.2
198.04990	1.9
200.71997	1.1
209.11555	2.6
211.05783	8.5
221.11554	2.7
223.13028	13.4
225.07304	1.4
239.08818	1.1
251.12503	14.4
252.06105	1.4
267.12054	4.4
268.13538	1.1
277.14081	1.9
281.13519	3.9
282.14233	1.6
295.15063	2.1
306.14334	2.6
307.15176	14.4
310.17465	1.2
322.14001	1.3
323.14651	9.0
336.15573	2.0
337.16226	4.7
349.16125	2.6
356.26068	1.3
366.16467	12.7
379.17157	16.2
393.18726	2.5
407.20029	2.5
407.24734	1.7
421.26196	2.5
449.25107	4.8
450.25916	6.5
491.25980	3.7
505.27670	3.2
533.27234	4.5
534.27753	1.6
551.28174	100.0
552.28271	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	551.2825
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
63.74248	0.3
67.05500	0.9
73.42477	0.3
79.05499	0.6
81.07029	0.8
83.05000	0.3
91.05444	0.5
93.07028	0.6
94.55488	0.3
95.73684	0.3
105.07006	0.6
119.08630	0.4
121.10128	0.6
133.10152	0.4
147.11702	0.3
149.01195	0.3
164.47435	0.3
203.05289	1.2
251.12515	0.9
259.07980	0.9
267.11984	0.8
269.13724	0.9
307.15143	0.4
313.35468	0.4
325.16187	0.6
389.22791	1.1
533.27161	1.2
551.28186	100.0
552.28369	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	551.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05441	0.3
57.03455	0.4
69.16015	2.1
69.19070	0.4
75.16521	0.4
81.03405	0.6
83.08617	0.3
87.53674	0.3
93.07053	0.5
105.06931	0.3
108.89436	0.3
151.82523	0.3
174.79485	0.4
176.91924	0.4
184.07338	1.0
185.04225	0.6
198.97121	0.4
251.12459	0.4
267.09131	0.5
275.40558	0.4
285.10052	0.4
331.09802	0.5
389.23062	1.6
398.76816	0.4
533.26947	0.7
551.28186	100.0
552.28601	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	553.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.7
57.03439	1.5
64.15018	1.1
65.03928	4.1
68.99783	6.2
69.03432	2.0
70.06579	2.2
79.05512	1.8
81.03392	2.8
85.02892	3.8
91.05463	2.1
93.03408	1.6
93.07030	1.4
95.04987	2.2
97.02872	5.4
105.07040	2.4
107.04964	4.4
109.02872	2.3
111.04442	6.3
112.02289	1.3
119.04947	5.9
119.08547	1.2
121.02856	100.0
121.06499	1.4
127.03927	1.4
131.04895	2.9
133.10127	1.6
135.04419	4.7
137.05966	6.5
139.03908	7.0
145.06464	1.7
147.04381	3.4
147.08057	1.3
151.03932	2.3
153.01831	7.8
161.05965	2.4
163.03897	21.4
165.01785	5.7
166.08698	1.3
167.07031	2.1
173.05981	3.1
175.03903	3.5
175.07556	1.6
175.14841	2.3
177.01836	3.3
177.05400	1.8
181.04926	1.5
183.02872	3.0
185.06000	1.6
187.03920	4.0
189.01781	2.5
189.05386	2.7
191.03374	3.8
193.04953	1.9
195.02888	4.4
199.03848	2.0
201.05450	3.1
203.03380	5.2
204.13770	1.5
205.04959	7.0
207.02898	4.6
213.05449	2.1
215.03386	6.1
217.05045	7.9
219.02853	6.4
221.04356	1.9
227.03397	2.3
229.04849	6.6
231.02876	13.8
231.06419	2.0
233.04428	5.0
235.05981	4.6
241.04929	2.8
243.02850	6.9
243.06534	1.7
245.04477	2.4
247.05972	4.8
249.03883	9.0
253.07170	1.9
255.02907	2.3
257.04407	2.0
259.06030	3.4
261.03918	15.1
267.05225	1.8
269.04385	3.0
271.05939	8.2
273.01395	1.4
273.03784	5.7
279.04990	5.3
283.05887	1.7
285.03836	9.7
287.05502	1.7
289.07077	3.4
291.04947	5.5
295.05994	3.4
297.03793	2.4
299.05582	1.5
301.07053	6.6
309.06158	5.4
313.07141	1.6
313.19928	1.3
315.04968	12.4
319.08215	4.3
321.07413	1.6
325.06836	1.5
327.04880	1.7
333.05890	9.1
337.06488	1.5
345.06000	9.9
349.06934	3.7
355.08044	1.6
355.70901	1.4
361.06903	2.1
363.07043	29.0
367.08096	2.0
372.23569	1.4
379.08075	7.4
381.08096	18.9
391.07959	2.1
397.09189	4.1
399.08997	2.1
409.09048	5.1
415.10303	2.7
421.09174	2.9
427.10248	3.8
433.08920	3.9
445.10263	2.7
451.10443	6.5
463.09888	5.4
469.11038	2.9
481.11197	9.4
499.11963	5.0
517.13397	4.3
534.29333	2.4
553.18933	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	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05510	0.5
56.15518	0.5
57.79157	0.4
67.05506	1.2
79.05507	0.9
81.03416	0.5
81.07075	1.0
83.05026	0.5
84.01891	0.6
86.44124	0.4
90.57540	0.5
91.05487	0.9
95.01109	0.8
95.04945	0.6
96.01880	0.4
98.22700	1.1
143.08557	0.4
156.03992	0.5
184.03526	0.5
185.04263	1.7
186.57721	0.4
201.03758	0.9
203.05234	2.0
259.08047	1.7
281.18665	0.4
293.21698	0.5
325.75858	0.5
331.09985	3.2
345.11624	0.5
359.13293	0.6
373.14322	0.7
401.17981	0.5
415.19626	0.7
441.20953	0.5
483.22052	1.4
492.32080	0.5
535.28741	1.1
553.29810	100.0
554.30109	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	553.2982
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.95658	1.0
55.05508	1.2
58.58441	1.0
58.87087	1.1
79.05498	1.3
81.07083	2.2
85.02923	1.1
86.54187	1.3
93.07047	1.3
94.09705	1.0
95.08642	1.6
111.91911	1.1
119.08560	1.5
121.10194	1.8
137.05956	2.0
139.07373	1.1
148.20969	1.1
161.09323	1.0
167.07059	1.6
167.68973	1.1
181.98026	1.1
251.12698	5.0
261.87939	1.3
269.13602	6.8
281.07297	1.3
307.15482	2.5
325.16391	3.5
426.53412	1.3
455.59555	1.3
509.26907	2.0
535.29211	4.3
553.29889	100.0
554.30151	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	554.2
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01867	4.1
55.05500	1.6
57.03436	5.7
59.04984	3.3
61.02922	8.9
67.05495	3.1
69.03426	18.4
69.07079	2.4
69.64065	1.1
71.01351	1.4
71.04985	3.2
73.02911	11.7
73.06546	3.5
79.05502	1.4
81.03415	9.1
81.07050	3.4
83.04985	1.4
85.02902	100.0
87.04449	2.7
91.03936	6.1
91.05462	3.5
93.07043	4.0
95.04953	1.8
95.08606	2.0
97.02892	33.4
98.91738	0.9
99.04439	3.7
105.07010	1.6
107.08588	4.1
109.02875	7.1
109.06455	1.1
109.10168	1.2
115.03915	2.4
117.07002	1.3
119.08546	2.4
121.10163	2.0
122.09676	2.4
125.01537	13.4
127.03909	29.9
127.89935	1.0
127.90919	0.9
131.08565	1.8
133.04926	1.8
133.10162	1.1
135.11713	1.4
137.05966	2.1
137.09657	1.3
139.03059	1.6
145.04953	51.0
153.01831	3.8
154.02127	1.3
154.04988	2.8
155.02611	3.9
163.06012	15.4
165.04660	9.7
167.06209	6.2
169.00580	1.3
180.08669	2.2
183.01979	1.3
183.05608	1.3
211.05206	21.3
213.06813	1.1
225.06757	11.1
243.07841	13.6
325.11145	1.8
342.13800	1.4
346.04327	2.4
357.10748	1.1
393.22455	2.5
401.12640	1.1
510.94131	1.1
554.26013	6.9
555.28027	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35141	1.6
70.55279	3.5
78.26575	1.8
83.66592	2.0
85.02921	5.0
91.05473	3.2
96.83692	1.8
100.11256	3.0
103.05466	10.7
105.07032	2.6
105.32087	2.2
105.86926	1.9
107.04943	2.8
115.05495	3.0
119.04962	3.9
122.03706	2.8
123.08036	2.1
125.27393	2.1
125.94568	2.0
128.06248	2.5
129.06996	15.5
131.04916	20.3
133.06438	3.1
135.08058	2.1
137.05952	54.1
145.06473	2.3
149.05957	5.0
149.39250	2.1
151.03839	1.9
151.07523	14.8
155.04884	2.5
157.06448	4.9
160.05161	3.5
161.05966	11.6
161.09573	2.2
162.06732	4.4
163.07513	71.4
173.05898	2.3
174.06693	14.0
175.07521	68.2
177.09087	100.0
179.06964	3.0
187.07565	10.0
189.09097	17.7
191.07069	3.3
193.06552	3.5
203.06964	5.3
205.04887	3.8
205.08589	6.6
209.08180	2.9
215.07013	7.4
221.05983	4.9
221.11676	20.0
223.07486	3.1
225.09061	6.0
227.10443	2.6
233.05682	3.1
233.08035	52.2
233.10226	3.9
235.09615	25.7
237.09125	2.0
251.09105	9.0
253.08586	13.1
255.10233	3.1
264.87103	2.0
265.08499	3.8
266.09485	2.1
267.10172	4.5
272.76620	2.1
285.11285	21.0
287.12698	7.2
297.11218	3.1
309.10989	3.5
311.12723	5.2
313.14151	6.7
325.10580	2.4
327.12271	24.7
331.15366	25.5
341.13736	8.2
343.15308	4.6
345.13190	12.0
357.13504	5.0
553.41138	2.9
554.17017	3.2
555.28253	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	554.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64977	1.0
53.03951	1.0
53.63787	0.8
55.01864	1.1
55.05499	11.4
57.03440	2.6
57.07076	4.8
61.02925	3.7
67.05495	7.0
69.03431	7.7
69.07061	21.0
69.15421	2.1
69.15832	3.2
71.04999	1.5
73.02933	1.1
79.05482	11.4
81.03419	4.1
81.07047	17.1
83.08618	12.4
85.02898	49.2
91.03955	2.6
91.05465	7.5
93.07036	30.1
93.07600	1.7
95.04972	1.9
95.08598	49.4
97.02891	11.8
97.10151	5.4
99.04455	2.2
103.05493	1.0
105.04501	0.9
105.07025	9.7
107.08582	67.4
109.02892	3.7
109.06496	1.4
109.10145	15.1
119.06042	1.1
119.08556	2.3
121.10133	100.0
122.10465	1.6
123.08088	1.6
123.11694	8.2
125.09661	2.2
127.03906	11.7
135.11688	23.3
137.05965	1.6
137.13245	39.6
139.11203	2.8
145.04945	27.9
149.13234	8.6
151.14830	1.2
163.06020	16.8
163.07312	1.5
177.16368	90.8
178.16707	2.1
195.17413	17.7
195.19159	1.1
325.11176	5.7
573.14893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.0
57.07056	1.3
61.02914	1.6
67.05498	4.3
69.03415	2.2
69.07069	9.1
69.32132	5.3
79.05479	4.6
81.07059	9.5
83.08598	6.6
85.02895	14.3
91.05470	3.8
93.07028	15.6
95.08599	28.9
97.02882	2.6
97.10149	3.5
104.57969	1.2
105.07018	3.3
107.08588	36.4
109.02833	1.0
109.06560	1.5
109.10158	7.1
109.13140	1.1
121.02840	4.0
121.10137	56.4
122.26448	1.0
123.08076	1.3
123.11703	3.5
125.09631	1.6
127.03923	3.3
127.11138	1.2
135.11687	11.5
137.06024	1.4
137.13248	17.6
139.11165	2.6
145.04950	7.2
149.13239	4.8
153.01833	1.4
163.03888	1.3
163.06033	3.1
177.16373	100.0
187.87442	1.0
195.17426	24.6
195.19188	1.4
251.42015	1.2
259.16895	1.2
277.98047	1.3
364.07440	1.6
403.31186	1.2
554.19049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44915	0.8
62.25473	0.7
70.54830	1.4
79.01609	2.1
79.05470	1.0
79.26466	0.7
82.00316	1.7
83.01094	0.8
91.05452	1.9
95.01089	2.7
103.91142	0.8
113.02109	1.5
119.04926	1.7
121.45615	0.8
127.00035	1.8
133.06493	1.0
136.28105	0.8
137.05959	5.8
141.05212	3.4
149.05981	1.0
151.07513	1.3
153.01643	2.6
161.05927	2.4
167.03130	1.0
175.07494	1.5
179.07086	1.4
181.04654	0.8
181.08545	1.2
185.04187	2.4
187.07492	1.0
191.89336	0.7
199.05743	1.3
205.08478	1.1
216.00755	0.8
217.04732	1.8
227.05289	2.8
232.07030	24.3
233.07782	1.3
243.04675	1.8
253.03226	2.1
259.07947	1.0
271.04163	5.4
275.08838	2.1
287.03711	1.1
301.08972	1.8
307.11493	2.8
335.10867	2.1
345.07889	1.1
357.85309	1.1
409.16141	0.9
438.15030	0.9
469.16684	10.6
511.17801	69.5
512.18231	2.5
555.16724	100.0
556.17072	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	555.1682
Annotation	Arillanin G
Peak:m/z	Relative Intensity
52.44915	0.8
62.25473	0.7
70.54830	1.4
79.01609	2.1
79.05470	1.0
79.26466	0.7
82.00316	1.7
83.01094	0.8
91.05452	1.9
95.01089	2.7
103.91142	0.8
113.02109	1.5
119.04926	1.7
121.45615	0.8
127.00035	1.8
133.06493	1.0
136.28105	0.8
137.05959	5.8
141.05212	3.4
149.05981	1.0
151.07513	1.3
153.01643	2.6
161.05927	2.4
167.03130	1.0
175.07494	1.5
179.07086	1.4
181.04654	0.8
181.08545	1.2
185.04187	2.4
187.07492	1.0
191.89336	0.7
199.05743	1.3
205.08478	1.1
216.00755	0.8
217.04732	1.8
227.05289	2.8
232.07030	24.3
233.07782	1.3
243.04675	1.8
253.03226	2.1
259.07947	1.0
271.04163	5.4
275.08838	2.1
287.03711	1.1
301.08972	1.8
307.11493	2.8
335.10867	2.1
345.07889	1.1
357.85309	1.1
409.16141	0.9
438.15030	0.9
469.16684	10.6
511.17801	69.5
512.18231	2.5
555.16724	100.0
556.17072	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	555.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.03939	2.2
55.01871	3.0
65.03929	5.1
67.05499	2.7
67.85560	1.0
69.93243	2.2
71.01337	4.7
77.03939	2.6
79.05480	8.6
81.07063	1.4
89.03934	0.9
89.08246	0.9
91.05470	8.9
93.03407	1.4
93.07054	1.9
94.04179	2.1
95.04961	22.8
95.05533	1.8
95.39537	0.9
98.23186	2.2
103.05456	1.8
105.04517	3.4
105.07025	3.0
107.04951	16.3
108.02078	2.5
109.06491	1.3
110.03640	1.0
111.04447	3.0
115.05486	1.5
117.07002	1.3
119.04940	4.4
121.02868	1.2
121.06499	9.0
122.03635	3.9
123.04427	8.4
125.05977	5.0
128.06252	2.4
129.06999	3.9
130.05020	1.7
131.04904	5.2
131.08572	1.6
133.02841	5.5
133.06517	2.1
134.03574	1.2
135.04411	9.5
135.08051	1.9
137.05968	42.5
138.19333	1.0
141.05504	2.6
144.05748	1.4
145.06526	2.7
146.03638	2.7
146.51463	1.0
147.04398	3.8
148.05104	1.7
149.05965	8.5
150.03110	1.0
150.06709	2.9
151.03902	92.2
151.05011	10.8
151.07515	13.9
152.04317	2.0
152.06215	1.3
153.05434	5.3
153.06683	0.8
157.06494	2.6
159.08022	1.3
161.05968	26.1
161.09630	4.6
162.06776	2.9
163.03918	3.5
163.07574	4.0
165.05470	11.8
165.06987	5.0
167.07047	7.2
167.08414	1.7
171.08078	1.3
174.06772	2.6
175.07544	8.2
177.05469	6.7
177.06898	1.2
177.09152	2.2
178.06306	7.0
178.07756	1.9
179.06989	3.3
179.08482	1.7
181.04962	5.6
181.06520	3.0
182.07275	2.8
183.08112	1.8
187.07516	2.7
188.08308	1.8
189.07350	1.3
189.09082	12.0
190.07823	2.0
191.04933	1.6
191.07040	1.2
191.08505	5.1
192.07828	2.3
193.06500	4.0
193.08406	1.4
193.10153	1.6
194.07278	3.4
195.06526	21.0
195.08112	6.1
195.10202	4.6
196.05241	1.2
196.07274	2.7
197.06061	1.5
197.09624	1.7
199.07549	1.2
205.06499	2.7
206.07327	1.7
207.08070	3.1
207.10173	7.6
208.05234	0.9
208.08830	2.3
209.05975	2.5
209.07838	1.1
209.09679	2.0
210.06743	3.5
211.07535	5.6
212.08328	2.2
218.07359	1.4
219.04483	2.3
219.08060	10.9
219.10182	2.8
220.08688	2.4
221.05969	5.3
221.09610	3.2
222.06689	2.4
223.07538	7.0
223.11186	3.3
224.08324	3.1
225.05519	2.1
225.09106	12.2
227.07024	3.8
227.10698	2.1
231.08185	1.4
233.05988	1.4
233.09689	1.1
234.06798	2.0
235.07600	3.6
236.08299	3.5
237.09113	7.3
238.06258	3.3
238.09802	0.9
239.07037	5.9
240.07722	5.8
241.08614	3.6
242.09233	1.8
243.10152	3.7
247.07486	4.8
248.08389	3.7
249.05444	2.2
249.09109	3.9
250.06268	1.8
251.07024	7.4
251.10611	9.2
252.07755	3.9
252.11447	1.0
253.08565	32.4
254.09258	3.7
255.06471	5.5
255.10190	7.6
255.13719	2.3
261.09146	1.0
263.06979	1.6
263.10596	0.9
264.07800	2.7
265.08575	12.7
266.09290	4.2
266.53113	0.9
267.06601	1.3
267.10168	7.7
268.07306	3.1
268.10834	1.5
269.08041	2.9
269.11548	4.4
270.08817	6.1
271.09589	3.6
277.08597	1.4
279.10126	19.6
280.10800	2.9
281.08084	4.9
281.11658	2.8
282.08804	2.2
283.09650	17.2
283.13239	6.2
285.11227	3.1
286.11865	2.2
287.12744	2.4
295.09598	3.3
296.10367	7.8
297.11176	57.5
298.11707	5.1
299.12814	2.1
301.10641	2.7
301.14081	1.3
309.11105	4.8
310.11847	1.8
311.12698	12.7
313.10660	2.3
313.14368	3.2
314.11505	1.0
314.14825	1.0
319.11853	1.6
327.12286	14.3
328.12686	1.3
329.13797	100.0
330.14468	15.2
331.15384	3.7
335.09393	1.4
337.14316	1.1
341.13849	5.8
342.14554	20.0
343.15146	1.8
355.15390	3.4
360.15604	2.7
393.22626	1.3
477.19009	3.7
489.18915	2.1
507.20035	2.4
555.28290	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	555.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05347	0.8
67.05652	0.5
68.65196	0.5
69.03286	0.9
69.03613	0.6
69.06932	0.7
69.07249	0.5
69.32184	2.7
79.05329	1.2
79.05729	0.9
81.06882	1.1
81.07288	0.5
83.04767	0.6
85.02734	1.0
85.03188	0.6
86.64191	0.5
88.15225	0.5
91.05303	0.9
91.05814	0.8
93.06809	1.7
93.07397	1.0
95.04797	0.8
95.08476	0.6
97.06351	0.6
98.23418	1.2
105.06852	1.2
107.08389	1.0
109.09944	0.8
118.80047	0.5
119.08363	1.3
119.09163	0.5
121.09914	1.3
126.81737	0.5
127.03745	0.9
130.04765	0.5
131.04704	0.6
133.09966	1.0
137.05693	1.7
137.09401	1.1
141.06636	0.5
149.13081	0.6
151.03697	0.7
153.01643	1.1
161.05763	0.9
165.08659	2.0
167.06834	0.7
171.06096	0.5
223.12923	2.8
225.10948	56.2
226.11157	0.6
283.09656	0.9
389.14182	0.8
393.22443	69.4
394.22913	1.6
404.55112	0.6
465.69244	0.5
511.25449	0.8
537.30219	0.7
555.27924	100.0
556.27948	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	555.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10431	0.6
53.11906	0.6
54.41163	0.6
55.05505	1.0
67.05493	1.3
69.03420	2.3
69.07066	1.3
69.27991	2.0
69.28400	1.6
69.98386	0.6
70.04070	13.0
71.04973	0.9
79.05485	1.0
81.03420	1.6
81.07056	2.8
83.05000	0.9
83.08647	0.8
83.90990	0.7
85.02897	3.0
85.06534	0.8
85.59409	0.6
87.04451	1.0
91.05479	1.7
93.07053	2.3
95.04956	1.2
95.08039	0.7
95.08634	1.9
97.02887	3.7
97.06506	0.7
97.60692	0.7
97.63414	0.6
99.08109	2.1
105.07029	1.5
107.04979	0.8
107.08591	1.5
109.02880	1.3
119.08650	1.1
121.06552	0.7
121.10159	1.8
123.04366	0.7
123.11759	0.6
127.03919	2.1
133.10109	0.8
135.08098	0.7
135.11751	0.9
137.05965	1.7
140.25067	0.7
143.03510	0.6
145.05032	1.4
145.10126	0.7
147.90805	0.8
151.07578	0.7
153.01796	9.3
153.02895	1.0
165.09023	0.9
167.07004	1.1
171.02847	1.2
171.26917	0.7
174.12454	0.7
175.11119	0.6
190.51521	0.6
195.10109	0.7
202.08241	0.7
213.11108	1.1
225.10939	67.0
369.15488	1.2
393.22424	76.0
394.22989	2.2
474.06470	0.6
488.91412	0.8
555.27740	100.0
556.28186	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	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36891	0.7
53.03933	1.8
55.01858	2.5
55.05504	9.1
57.03429	6.6
57.07071	28.9
65.03950	0.9
67.05161	1.2
67.05502	20.4
69.03420	1.0
69.07064	10.6
71.04980	1.8
71.08623	21.2
79.05487	12.0
81.03407	8.3
81.07050	23.3
83.04967	1.6
83.08613	10.8
85.06530	1.0
85.10167	12.4
85.10635	1.1
89.06018	2.1
91.05471	11.0
93.07034	8.9
95.04980	4.3
95.08598	22.6
97.06516	3.0
97.10161	4.8
98.98458	84.4
99.04450	1.8
99.11739	0.7
105.04466	1.0
105.07029	9.5
105.37574	0.7
107.04939	2.0
107.08595	6.2
109.02849	5.2
109.06559	1.6
109.10139	10.6
111.11691	1.1
116.99495	2.1
117.07008	4.1
119.08568	6.3
121.06449	1.2
121.10110	1.6
123.08052	1.1
123.11698	3.9
125.09583	1.1
125.13277	1.0
127.03917	1.3
129.06981	3.1
131.08540	4.6
133.08598	2.3
133.10110	4.2
135.11691	1.5
137.13246	1.8
142.07719	0.7
143.08560	2.5
145.04965	0.7
145.10114	3.9
147.11679	4.6
149.09604	2.1
155.01027	100.0
155.08575	1.2
157.10066	1.8
159.11691	2.0
161.09613	0.9
161.13217	1.5
163.11153	2.3
169.10112	1.0
169.97533	0.6
171.11711	3.3
173.02145	0.9
173.13110	1.2
183.11659	1.4
189.12833	1.0
196.03758	0.8
197.13298	1.0
207.13768	1.8
229.19466	1.1
239.18018	0.8
239.23683	8.5
257.18967	4.0
275.20038	10.0
281.17395	1.3
313.27328	58.1
314.27679	2.7
317.06247	7.1
379.28467	0.6
393.23950	5.5
401.29013	5.1
456.94550	0.7
537.27881	2.6
537.35345	1.4
555.36591	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	555.3677
Annotation	Muscanone
Peak:m/z	Relative Intensity
51.02386	2.6
53.03959	8.4
54.49398	1.6
55.01865	31.5
55.02108	2.5
55.05508	36.2
57.03448	5.7
62.67790	1.6
65.03955	6.6
66.11491	1.5
67.05499	82.9
68.05865	1.7
69.03445	2.9
69.07062	42.2
71.05004	5.0
73.06544	1.7
76.00852	1.5
77.03936	3.2
79.05487	91.2
81.03410	15.9
81.07049	78.7
83.04971	17.9
83.08610	15.7
83.09013	1.5
85.06580	3.3
91.05472	100.0
93.07040	68.0
94.60512	1.6
95.01357	8.2
95.04962	37.1
95.05513	2.4
95.08596	49.3
97.06523	48.7
97.10151	9.2
98.23466	3.4
99.08120	3.1
99.73505	1.5
105.04551	6.8
105.07021	85.6
107.04942	25.5
107.08588	31.7
107.09239	2.7
109.06514	11.0
109.10149	19.5
111.08115	4.1
114.00359	1.7
115.05510	5.7
117.07013	27.2
119.08569	55.0
121.06494	8.9
121.10102	14.4
123.08041	8.7
123.11739	3.0
125.09678	4.8
128.06274	4.9
129.07001	21.8
131.08562	33.7
131.09450	2.4
133.06502	4.4
133.10114	37.3
135.08133	5.2
135.11694	10.1
137.09688	6.2
141.07072	6.8
143.08569	17.2
145.06544	3.5
145.10110	27.1
146.14275	1.8
147.08159	6.1
147.11673	32.1
149.09625	11.7
149.13297	5.8
151.11249	2.7
154.07817	2.4
155.08514	10.8
156.09445	2.5
157.10103	11.8
159.08121	3.1
159.11653	19.0
161.09705	6.2
161.13261	15.8
163.11147	9.1
165.09232	3.1
165.12923	1.9
167.08562	4.2
168.09387	2.5
169.10115	9.1
171.11664	24.2
173.09682	2.8
173.11853	3.8
173.13326	6.8
175.11256	2.8
177.12862	4.3
179.14310	19.8
179.15652	1.7
181.10191	4.6
183.11630	8.7
185.13367	5.2
187.11311	4.8
189.11319	2.8
189.12852	5.3
193.12318	2.4
195.11890	3.0
195.13795	2.1
197.13219	8.4
199.14948	2.4
205.12294	2.4
207.11914	3.3
207.13927	11.1
209.13425	4.5
220.12488	2.1
229.14206	2.4
229.19585	2.2
233.15375	1.9
239.18062	3.8
241.14433	2.3
247.20683	3.4
253.88370	1.9
257.18967	14.5
273.18576	1.9
275.20041	80.8
279.16138	7.3
281.17715	5.1
289.17908	2.1
293.21332	6.7
297.17389	1.8
311.20154	2.7
313.21677	3.0
349.23740	3.1
463.32477	3.8
481.33698	3.6
499.30780	2.2
527.37341	2.0
537.35938	12.0
555.37018	65.8
556.36804	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	555.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
55.01868	16.4
55.05512	39.7
55.88524	2.7
57.03420	7.9
64.60174	3.0
65.03924	6.4
67.05500	89.1
69.03421	3.7
69.07063	37.6
69.19793	16.9
69.95717	2.4
71.05000	3.3
73.06556	2.5
73.55544	2.6
77.03922	4.3
79.05491	100.0
81.03424	14.4
81.07050	83.0
81.69398	2.3
83.04989	13.9
83.08613	17.2
85.06543	5.3
91.05473	93.7
93.07039	78.2
95.04969	32.3
95.08603	47.3
97.06518	26.1
97.10134	7.8
103.05465	3.8
105.04503	9.9
105.07027	74.6
107.04937	19.9
107.08592	37.5
109.06504	20.2
109.10159	19.5
111.08077	2.8
113.09650	3.9
115.05439	2.8
116.06324	3.4
117.07015	26.1
119.08568	54.5
121.06519	6.4
121.10136	16.9
123.08068	10.2
123.11660	2.9
125.09627	7.6
128.06206	4.4
129.06973	23.4
129.23225	2.5
130.07788	3.7
131.08540	32.5
133.06479	3.3
133.10114	36.4
135.08063	4.1
135.11678	9.8
137.09612	3.4
141.06955	6.8
143.08531	19.2
145.10129	37.8
147.08023	5.7
147.11685	41.3
149.09625	19.3
149.13322	3.3
153.07065	2.5
155.08563	7.9
157.10133	8.9
159.11679	19.2
161.09602	7.5
161.13231	19.9
163.11179	14.7
163.14806	3.1
169.10121	10.0
171.11682	29.2
173.13286	10.2
175.11234	3.6
177.12746	3.5
179.14291	10.5
182.71562	2.5
183.11673	10.8
185.09674	3.2
185.13222	4.3
187.11127	5.6
189.11176	4.8
189.12767	10.9
195.11653	4.3
197.13251	4.5
207.13792	16.3
227.12753	3.3
229.19421	6.2
232.21687	2.6
239.17871	11.0
244.54579	3.1
257.18979	36.9
275.20044	74.9
281.17542	12.0
292.29385	2.7
293.21298	3.5
307.19476	2.8
313.21478	2.8
331.22592	4.5
348.97684	2.3
349.23410	2.8
369.22040	2.4
427.55850	2.6
463.32385	3.9
481.33377	5.0
533.61877	3.2
537.35278	10.3
555.37018	70.8
556.37213	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19461	1.4
59.08611	1.7
64.64378	1.5
69.77376	3.3
69.77733	3.8
73.27507	1.4
98.23390	2.2
103.05476	7.5
108.38525	1.4
109.06470	1.4
113.00739	1.5
117.07002	2.1
122.03645	5.9
125.05989	4.0
128.06203	3.7
129.06992	20.4
131.04941	19.6
137.05965	100.0
145.06476	2.6
151.07504	2.4
153.01819	1.8
153.05441	9.8
157.06479	21.1
160.05186	5.3
161.05901	3.6
163.03879	2.4
163.07512	9.7
167.07072	1.6
172.05212	2.0
172.75078	1.6
174.06735	6.8
175.07529	27.2
185.31735	1.5
187.07535	29.2
189.09084	39.0
203.08492	1.9
204.18640	1.5
205.08614	4.9
207.10184	4.4
211.07393	2.1
217.08522	9.7
219.08011	1.9
228.07558	1.5
231.07976	3.6
235.09793	1.9
242.09850	2.2
247.07608	2.3
248.08377	2.4
251.10635	1.8
263.10690	2.8
270.08899	3.8
271.09601	2.5
279.10129	3.9
291.10178	7.2
296.10663	2.4
311.12787	14.3
323.12848	14.0
341.13751	15.1
354.51331	1.7
386.14127	3.4
556.20038	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.5
54.76535	5.7
55.05503	23.4
63.44040	6.0
67.05499	42.9
67.61683	5.7
69.03415	22.5
69.07066	23.6
69.43133	24.1
69.43544	12.1
71.04991	14.5
79.05490	25.7
81.03398	45.1
81.07045	76.9
83.04979	11.0
83.08614	8.3
85.02907	21.1
90.86496	6.0
91.05470	33.7
93.07052	33.8
95.04956	16.7
95.08592	71.1
97.02911	18.6
97.06541	21.8
98.22744	13.9
99.04450	7.9
99.08123	8.1
103.07265	7.8
105.07040	30.3
107.08582	15.4
109.02879	19.2
109.06514	10.3
109.10167	15.6
117.06989	8.6
119.08553	34.7
121.06467	8.7
121.10146	13.2
127.03905	45.1
129.07039	7.0
131.04947	10.6
133.10092	16.6
135.11674	13.3
137.09561	9.8
137.13165	6.6
143.08539	8.2
145.10152	13.7
147.11668	10.0
151.07553	10.2
159.11696	10.6
161.13260	34.3
179.14284	34.8
188.36685	5.8
197.15384	14.9
223.55894	6.9
237.15094	8.7
259.16864	6.9
287.16473	12.4
305.17416	38.0
305.20392	7.5
323.18463	100.0
341.19583	42.6
556.30524	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	556.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35576	1.4
52.56070	1.3
52.90820	1.5
53.03930	2.0
53.25855	1.4
55.01865	6.2
55.05508	22.7
57.03439	12.0
57.07071	2.6
59.04988	2.6
61.01018	1.7
65.03919	4.4
66.78266	1.7
67.05499	100.0
68.22887	1.5
69.03432	4.8
69.07065	18.8
71.04978	5.1
79.05489	36.4
80.05809	2.0
81.03403	14.9
81.07051	56.8
82.07367	2.1
83.04972	7.4
83.08619	13.2
83.17970	1.8
85.06541	3.9
91.05473	42.4
92.05794	2.5
93.07034	33.4
94.07391	2.6
95.04957	13.9
95.08599	24.3
97.02887	2.3
97.06528	12.1
97.10170	5.5
98.23527	3.0
105.04475	1.8
105.07011	27.6
107.04974	9.9
107.08592	22.1
109.06503	7.0
109.10146	58.5
111.08069	7.0
115.05414	3.3
117.07020	12.7
119.08573	21.7
121.06487	4.7
121.10141	12.5
123.08048	3.8
125.09618	5.1
128.06111	1.5
129.07005	6.7
131.08559	17.2
132.08824	2.0
133.10103	13.2
135.08063	4.6
135.11664	8.4
137.09612	5.1
141.06981	2.1
143.08525	6.0
145.10124	10.5
147.11673	8.9
149.09618	7.4
149.13251	6.8
151.11182	2.8
155.08557	3.4
155.10640	2.3
157.10112	4.8
159.11636	10.0
161.09570	3.1
163.11137	6.9
171.11685	3.9
173.11720	16.9
173.13246	6.2
175.11229	3.7
177.12750	3.9
179.14293	2.0
183.11647	3.9
185.13206	2.6
187.11122	2.0
189.11293	2.1
189.12886	1.9
193.12225	2.4
195.13789	3.0
197.13235	3.2
219.13870	3.3
223.13280	2.5
227.12738	4.1
229.14310	35.9
255.15868	3.2
257.18857	7.6
269.17477	6.9
273.18402	2.8
275.20047	21.9
276.20258	2.5
291.19568	10.9
349.23810	10.5
379.28787	1.9
409.25870	13.0
423.27335	54.7
503.33569	3.2
539.36823	1.8
556.36713	5.8
557.34503	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	556.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98341	9.6
57.07069	27.3
69.07073	8.7
70.74526	10.1
71.08636	15.9
79.05488	11.5
81.07078	11.5
83.08591	14.7
85.63311	8.4
89.06026	11.2
93.07032	15.6
95.08587	20.9
104.10912	8.1
133.08595	13.1
135.11652	30.1
145.10117	21.8
147.07495	8.4
163.11162	25.0
178.96638	9.1
227.12790	78.5
278.57687	11.3
283.15411	73.6
283.26431	26.5
300.28946	11.9
313.27332	100.0
350.77460	9.9
496.11258	11.0
521.38354	98.8
556.52942	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	24.3
57.03429	10.3
57.07063	16.0
67.05495	19.5
67.22102	3.7
67.33778	3.6
69.07059	35.7
69.21407	25.6
71.08625	6.1
79.05476	17.1
81.03409	31.3
81.07064	26.0
82.68948	4.1
83.04966	9.2
83.08617	30.6
83.14654	4.5
85.02882	12.0
89.06023	11.7
91.05457	17.9
93.07040	12.7
93.60305	5.2
95.04941	17.2
95.08586	14.3
97.06511	5.8
97.10152	27.0
105.07019	11.4
107.04951	4.6
107.08579	7.0
111.08049	9.3
111.11688	6.3
115.13407	4.5
119.08582	11.9
121.10123	7.1
129.06979	8.2
131.08543	7.4
133.08575	12.2
133.10109	11.1
147.11694	10.0
157.10114	13.1
175.11180	8.9
177.11182	5.4
193.12274	40.1
211.13277	55.2
212.39415	4.6
225.09688	4.5
267.15854	20.4
283.26312	18.0
285.16928	57.7
311.13275	5.1
311.25760	94.9
311.29187	5.7
432.81360	5.0
503.37051	23.1
521.38324	100.0
556.52887	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.5
53.05474	2.1
55.05511	12.7
56.05842	2.0
57.03433	4.9
57.07074	68.3
62.15126	1.8
67.05499	21.8
68.05834	3.9
69.07066	12.5
71.08627	50.0
71.09032	2.5
71.42176	2.3
73.06564	5.2
79.05495	20.5
80.05845	3.6
81.03415	6.2
81.07055	16.5
82.07388	3.4
83.04969	4.8
83.08620	6.7
85.10179	35.6
86.10490	2.7
87.04488	7.7
89.06025	100.0
91.05467	17.8
92.05823	2.1
93.07047	11.2
94.07401	3.4
95.04961	5.5
95.08599	12.5
95.96692	2.1
96.08928	2.9
97.06541	3.7
97.10183	7.1
98.98450	22.2
99.11744	8.5
100.39868	2.0
105.07039	17.9
106.07343	3.7
107.04985	3.7
107.07046	3.4
107.08607	6.0
109.10168	8.0
110.10517	3.1
111.11732	5.6
113.13306	4.2
117.07012	6.0
117.09151	7.5
119.08590	9.0
120.08920	1.9
121.10143	4.5
123.11692	2.5
124.92124	1.8
129.07028	2.3
131.08549	3.6
133.08600	62.6
133.10162	8.5
143.08603	2.6
145.10101	4.9
147.11710	6.0
155.01028	32.3
156.01405	6.7
159.11745	3.0
161.11694	2.8
169.19521	2.7
171.11731	2.2
177.11206	23.7
179.14169	2.3
204.74806	2.0
213.22118	2.7
221.13795	4.8
239.14784	2.7
257.19000	2.4
257.24646	3.6
258.19366	2.6
275.20123	6.2
276.20398	7.4
283.26395	5.0
287.96448	2.1
293.21167	2.9
300.28970	2.4
301.27402	4.5
313.27332	5.0
314.27661	16.7
327.19998	2.6
357.58185	1.9
361.85931	1.9
371.22885	13.6
381.10336	2.3
539.41797	9.3
556.37256	11.2
556.52887	8.2
557.34607	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	556.9652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76105	0.3
56.96282	0.5
56.96555	5.9
60.71765	0.3
60.90261	0.3
68.79987	0.3
69.25608	2.1
71.95239	0.4
97.19405	0.3
98.97569	64.2
99.97890	0.3
116.98607	38.0
130.93275	0.3
134.99641	11.1
140.00095	0.3
153.00708	1.0
172.94318	2.6
190.95390	3.2
197.95030	0.3
208.96364	0.7
214.93613	0.4
214.95297	2.1
232.96437	6.1
248.94505	0.5
250.97475	3.8
251.04514	0.3
256.96381	16.3
257.97018	0.4
258.99768	1.4
272.94547	0.5
274.97473	100.0
275.97791	1.8
276.97827	0.5
277.00656	2.0
290.95377	0.7
292.98526	55.3
293.98849	1.1
297.98999	1.6
316.00143	0.7
316.98822	0.6
332.96686	0.6
374.97675	0.6
390.95715	0.7
398.97537	3.0
414.95309	22.6
415.95648	0.9
416.98618	7.8
417.98782	0.7
430.93594	0.4
432.96381	33.2
433.96613	0.7
434.99664	1.2
448.94098	0.6
450.97534	6.1
455.98068	1.0
472.94406	1.1
499.84109	0.4
514.95294	0.5
519.32587	0.3
540.98883	0.5
556.96460	8.0
557.96802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	33.3
59.19117	1.0
65.03939	3.0
67.05518	1.9
68.02644	2.4
69.07072	1.0
69.13162	5.7
79.05482	5.9
81.03439	1.1
81.07059	1.3
83.04985	3.1
84.04500	1.6
91.05480	8.5
93.03420	1.8
93.07035	2.7
94.04185	3.2
95.04960	11.5
97.06536	1.4
98.23061	5.4
103.05459	26.9
105.07014	9.6
107.04964	11.1
109.06513	1.2
111.04443	8.9
115.05480	3.6
116.17071	1.1
117.07034	5.9
119.04967	2.7
121.06513	6.9
122.03651	7.5
123.04420	13.1
125.06012	3.9
128.06230	1.4
129.07031	2.6
131.04916	51.3
133.02831	2.2
133.06502	5.9
135.04410	4.1
135.08075	3.8
137.05965	100.0
138.06294	1.2
139.92783	1.1
144.57840	1.0
145.06514	3.9
146.03519	1.0
147.04398	2.9
149.05959	5.8
151.03889	19.0
151.07567	3.4
152.06142	1.2
153.05447	6.3
161.05981	12.6
161.09595	2.6
162.03146	1.7
163.03931	5.0
163.07523	24.7
165.05573	2.2
165.06929	1.5
165.09102	3.4
167.07068	3.0
173.06004	1.9
175.07536	5.1
177.05470	13.5
177.09044	2.2
178.06235	6.3
179.07066	3.2
181.05034	1.1
181.06526	1.7
181.08598	2.5
182.07260	1.8
183.08073	2.2
187.07500	3.0
189.09103	6.1
191.07048	2.2
193.06583	2.0
195.06526	22.9
195.08102	2.0
196.04715	1.0
196.07243	2.4
197.05975	1.4
199.07513	2.0
201.09123	2.7
203.07039	1.2
205.08600	1.9
207.10197	3.8
210.06717	1.3
211.07515	1.5
213.09177	2.2
219.10184	4.6
221.05917	1.7
223.07611	1.3
225.09125	3.2
227.07030	1.7
229.08604	1.7
237.09010	1.6
241.08542	2.2
243.10199	1.9
253.08611	3.4
255.10358	1.3
271.09622	3.4
273.11273	2.4
283.09619	1.5
284.41498	1.3
285.11249	4.2
301.10785	1.4
303.12430	1.4
315.12238	2.3
327.12225	2.5
345.13409	2.3
395.23944	1.6
557.29175	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	557.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	1.6
51.02372	1.6
53.03936	5.5
55.01663	0.7
55.01865	26.0
55.05503	39.7
57.03432	8.2
57.07078	1.5
59.04997	2.9
65.03928	5.5
67.05495	69.5
69.03425	2.8
69.05977	5.5
69.07059	44.2
71.01348	1.5
71.04982	6.4
77.03927	3.6
79.05481	68.9
81.03408	25.8
81.07045	85.7
82.07379	1.7
83.01327	6.4
83.04971	21.2
83.08609	19.5
85.02904	3.2
85.06551	3.2
91.05466	84.9
92.05827	1.7
93.07031	65.1
94.07378	1.9
95.01317	16.8
95.04957	28.9
95.08592	46.7
96.08968	1.3
97.02894	3.7
97.06516	29.7
97.10153	10.0
99.04422	2.0
99.08064	1.4
103.05470	3.5
104.06248	1.1
105.04522	6.0
105.07015	100.0
106.07349	1.3
107.04938	32.4
107.08580	32.2
108.05257	1.1
109.02879	0.9
109.06506	15.0
109.10133	13.9
111.04462	3.3
111.08054	6.3
112.19262	0.8
113.06021	1.6
113.09650	1.7
115.05461	3.4
116.06234	2.0
117.06999	28.7
117.07793	1.6
119.04985	1.1
119.08563	55.4
120.08945	1.0
121.06490	6.9
121.10129	16.1
123.04446	2.8
123.08055	10.5
123.11709	2.4
125.06000	2.5
125.09637	4.3
128.06213	2.8
129.07002	8.8
130.07787	2.2
131.04932	1.7
131.08549	33.8
133.06516	2.4
133.10109	52.1
134.10501	1.2
135.08031	8.6
135.11679	15.9
137.09628	3.4
139.07549	1.4
141.07022	4.1
142.07788	1.2
143.08565	7.5
145.06488	4.7
145.10107	32.5
147.08002	4.0
147.11664	20.6
149.09605	11.1
149.13225	5.7
151.11192	2.0
152.43106	0.8
153.12759	3.1
155.08530	6.1
157.10129	5.3
159.08083	2.4
159.11678	15.9
161.09636	3.3
161.13251	8.5
161.96484	0.9
163.11154	21.5
163.12433	1.3
165.09116	3.0
165.12671	0.9
169.10072	4.5
171.11691	5.3
173.09584	4.2
173.13252	4.2
175.11153	3.0
175.14833	1.3
177.12732	4.8
179.14301	23.9
180.14714	1.4
181.12260	2.2
183.11646	5.3
185.13289	2.3
187.11194	4.2
187.14781	1.4
189.11211	1.8
189.12715	1.4
191.10669	2.0
191.14291	1.5
193.12242	2.5
195.11778	1.9
195.13817	1.8
197.13213	3.9
199.14761	1.4
201.12788	1.7
205.12172	1.9
207.13731	1.2
209.11737	3.1
211.14902	1.0
215.14372	0.9
219.13806	2.2
219.17377	5.5
221.13298	1.2
223.13298	1.9
227.12746	4.9
229.19624	2.2
233.15309	1.3
239.17920	2.8
241.14380	2.0
247.16931	1.3
247.20615	3.5
257.18976	10.6
267.15991	1.4
271.16760	1.8
273.18549	4.1
275.20029	98.8
276.20364	4.6
279.15875	1.0
280.31790	0.8
283.15387	2.5
289.18018	1.6
291.19684	4.5
293.21066	5.9
309.12933	0.9
313.21649	2.3
331.22528	0.9
349.23892	4.3
465.29614	1.5
483.30859	1.4
539.33118	5.4
557.34674	61.6
558.35132	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	557.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
54.16787	1.3
55.01619	1.5
55.01871	20.2
55.05505	38.8
57.03442	5.9
57.07074	7.8
57.49308	1.2
61.83989	1.2
65.03927	4.6
67.05497	56.6
69.03419	2.9
69.06712	2.7
69.07062	40.0
71.04980	5.8
71.08614	3.4
71.42038	1.6
77.03917	3.6
79.05484	65.8
81.03407	20.1
81.07048	75.7
83.01334	4.1
83.04978	18.9
83.08607	17.6
85.02876	2.3
85.06552	2.7
85.10171	1.7
88.07629	1.5
89.06016	5.0
91.05467	77.4
93.07035	64.8
94.07318	1.7
95.01322	14.3
95.04957	29.5
95.08598	49.2
97.02911	1.7
97.06523	29.1
97.10139	6.4
99.04426	1.4
99.08064	2.8
103.05445	4.1
105.04490	5.5
105.07020	88.4
106.07358	1.6
107.04941	31.4
107.08582	29.7
109.06516	16.0
109.10146	13.4
111.04438	3.6
111.08061	4.8
115.05438	4.8
116.06152	1.4
117.07011	29.3
119.08564	51.0
121.06480	7.7
121.10130	18.0
123.04411	3.8
123.08067	9.0
123.11676	2.6
125.09614	5.4
127.07533	2.3
128.06192	2.0
129.06969	6.9
130.07785	2.7
131.04890	1.6
131.08560	31.3
132.49052	1.3
133.06477	2.5
133.08540	3.5
133.10117	49.5
134.10448	1.5
135.04341	1.3
135.08043	7.2
135.11678	14.8
137.06029	1.4
137.09590	3.5
139.07533	2.7
141.06944	3.1
143.08553	5.7
145.06488	3.4
145.10109	30.3
147.08014	2.7
147.11661	22.2
149.06001	1.4
149.09555	7.5
149.13234	6.2
151.11125	2.6
153.07083	1.3
155.08560	4.2
157.10112	6.1
159.08031	3.0
159.11694	17.7
161.09601	1.7
161.13254	6.6
163.11168	19.9
165.09119	3.5
169.10112	4.4
171.11659	5.9
173.09596	3.0
173.13268	5.3
175.11224	2.4
177.11349	1.7
177.12758	5.8
179.14291	21.6
181.12160	2.9
183.11655	3.3
185.13255	1.6
187.11113	3.9
189.12770	2.0
191.10669	1.8
193.12251	2.3
197.13202	4.7
205.12103	1.9
207.13699	1.8
209.11719	3.7
219.17276	6.5
227.12766	2.9
229.19449	3.5
239.17874	1.7
241.14336	2.0
247.20485	1.9
257.18924	9.5
275.20038	100.0
276.20398	2.7
277.21649	1.6
283.15277	2.6
283.26422	1.2
291.19467	2.8
293.21100	7.5
313.27328	1.9
331.34985	1.2
349.23557	2.5
446.12668	1.3
539.32916	3.3
551.66193	1.3
556.52338	1.5
557.34576	55.1
557.53186	2.6
558.35065	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	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01873	4.1
55.05505	22.5
57.03434	7.1
57.07061	3.0
59.04994	1.7
60.77981	1.1
65.03925	2.3
67.05498	41.9
69.03452	1.5
69.07059	16.1
71.04988	3.1
77.03927	3.1
79.05037	2.5
79.05486	37.9
81.03419	3.7
81.07048	44.5
83.04970	4.3
83.08610	9.0
85.06548	3.5
91.05470	42.8
93.06444	1.9
93.07035	35.6
95.04960	8.1
95.08594	28.5
97.06528	3.9
97.10187	3.5
98.23536	1.3
99.08067	1.6
100.63248	1.1
105.04511	3.0
105.07015	36.3
107.04965	5.2
107.08585	22.4
107.09258	1.8
109.06532	3.6
109.10148	9.5
111.08083	2.8
115.05452	1.5
116.06226	1.3
117.07011	17.8
119.08574	29.8
121.06518	2.1
121.10142	10.4
123.08080	3.2
123.11703	2.7
125.09611	1.4
128.06221	4.2
129.06999	19.9
130.07813	2.1
131.08549	27.5
133.06482	1.2
133.10117	19.1
135.08029	2.6
135.11699	7.6
137.09631	1.4
137.13286	1.0
141.06993	6.2
141.09212	1.1
142.07791	4.4
143.08545	22.0
145.06456	1.8
145.10107	27.2
147.08035	2.0
147.11668	18.8
149.09610	3.1
149.13280	4.6
151.11168	2.0
153.06990	2.3
154.07794	2.5
155.08527	14.3
156.09349	3.1
157.10107	19.3
159.08156	1.2
159.11671	16.7
161.09647	2.5
161.13243	11.4
163.11205	2.0
163.14830	1.3
163.18781	1.4
165.06996	1.3
166.07805	1.2
167.08533	8.5
168.09302	2.6
169.10115	20.5
171.08038	1.1
171.11682	21.0
173.09674	2.0
173.13269	13.2
175.11180	2.2
175.14824	4.3
177.12686	3.1
179.08562	2.7
179.14299	1.2
180.09329	1.1
181.10098	11.4
182.10840	2.9
183.11667	17.0
185.09589	1.6
185.13246	16.3
187.11235	3.3
187.14833	4.2
189.12828	3.9
189.16385	1.1
193.10158	3.6
195.11691	10.8
195.13412	1.7
197.09740	1.2
197.13223	11.8
199.11162	1.3
199.14749	8.6
201.16432	3.1
203.71613	1.2
205.10150	1.6
205.12126	1.1
207.11707	4.1
207.13855	6.0
209.13214	7.5
211.14842	9.9
213.12878	1.2
213.16322	11.1
215.14397	1.5
215.18024	2.0
221.13300	3.0
223.14847	8.0
225.16429	3.2
227.18025	1.2
231.21092	1.8
235.14819	3.1
235.17033	1.6
237.16362	2.5
239.17899	1.7
241.19434	9.5
247.16936	3.8
249.18593	1.8
251.18008	2.4
257.19012	1.7
259.20602	15.8
261.16364	1.5
265.17950	1.5
267.17340	1.3
279.15973	4.2
281.17398	11.2
285.18613	1.3
287.20193	1.8
295.20544	2.1
297.22156	2.7
299.20602	1.1
299.23660	2.5
300.16055	1.1
309.22134	2.3
311.23599	1.2
313.21680	2.2
315.23184	2.6
321.22064	2.0
323.23700	4.0
333.24457	5.9
335.23438	2.1
337.25461	1.4
339.23203	2.3
341.24847	2.2
349.25403	1.3
351.23355	1.8
353.24835	3.3
367.26370	1.9
391.26141	1.5
419.33109	3.6
429.31442	5.5
435.32559	1.4
437.34131	11.2
447.32553	24.4
448.33200	1.6
455.35709	1.4
465.33575	28.9
483.34708	18.7
485.34241	1.3
501.35843	2.5
503.35126	1.8
511.37665	1.7
512.30933	1.1
521.36066	7.8
527.37244	3.0
529.39307	5.7
539.37256	100.0
540.37811	4.7
557.38324	52.1
558.39020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
54.26697	1.2
55.01859	2.5
55.05516	10.5
57.03435	4.6
57.07068	2.1
67.05503	22.6
69.07061	10.9
70.69588	2.3
71.08641	1.3
75.54439	1.2
79.05489	24.3
81.07050	26.5
83.04986	2.5
83.08629	6.0
85.06536	2.4
91.05474	21.0
93.07043	24.6
95.04968	5.7
95.08598	19.0
97.06593	2.1
97.10169	2.2
99.08086	1.8
105.07023	21.2
107.04977	2.8
107.08610	10.3
109.06506	1.7
109.10144	7.4
115.05470	1.9
117.07008	12.8
119.08559	19.3
121.06545	1.9
121.10137	7.8
128.06223	2.2
129.06985	7.8
130.07782	1.7
131.08557	21.4
133.10158	10.3
135.08072	2.0
135.11678	4.9
141.06956	3.4
142.07877	2.2
143.08542	18.4
144.09322	1.4
145.06427	1.6
145.10107	17.6
147.08060	1.8
147.11658	14.7
149.13269	3.2
153.06987	1.5
155.08572	12.5
157.10110	12.2
159.08061	2.2
159.11716	12.2
161.13228	8.8
165.07057	1.5
167.08574	3.3
169.10127	12.2
171.11656	16.3
173.09612	1.9
173.13271	8.1
175.14844	3.6
181.10080	8.8
183.11667	12.2
185.13206	9.0
187.11186	1.5
187.14809	3.8
189.12724	1.9
190.95427	1.4
193.10132	2.8
195.11710	7.9
197.13286	7.4
199.14816	6.2
201.12721	1.4
201.16437	4.0
207.11848	2.9
207.13873	5.9
209.13274	7.6
211.14841	5.4
213.16389	8.3
219.11693	1.6
221.13336	1.8
223.14977	2.7
225.16437	2.9
227.17986	1.3
231.17526	2.0
235.14867	1.7
237.16484	2.6
239.18056	1.8
241.19450	6.6
247.17018	3.5
259.20575	11.3
276.79950	1.2
279.16013	4.8
281.17291	9.8
287.20264	1.7
295.20663	1.5
297.22141	3.5
299.24106	1.3
321.21756	1.9
323.23669	1.7
325.21536	1.6
333.24359	5.4
335.23596	2.1
339.23322	2.1
353.24710	2.2
367.26291	1.5
411.22714	1.3
419.33020	4.4
420.85779	1.3
429.31665	5.9
437.34232	10.8
445.97351	1.4
447.32553	24.6
465.33582	26.5
466.33795	1.5
483.34598	18.1
501.35773	3.1
503.35757	1.7
509.36362	1.6
511.37497	1.6
521.36261	8.1
527.37305	3.4
529.38812	5.4
538.13214	1.4
539.37268	100.0
540.37616	6.2
557.38342	43.5
558.38959	2.6
576.30530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.5
64.47594	3.4
69.03414	9.2
69.82761	6.4
69.83153	7.2
70.06571	17.6
73.02908	15.5
73.89696	3.2
79.05487	8.4
81.03402	8.0
85.02920	5.9
91.05475	14.5
93.07012	7.3
97.02877	5.0
103.05461	17.8
105.07024	23.7
107.04939	26.8
109.02878	10.6
112.07590	16.4
121.06528	19.3
121.10107	4.5
123.04397	5.5
123.11665	10.5
127.03898	5.7
129.06973	4.5
131.04903	13.6
132.05637	7.8
133.06477	27.2
135.08006	3.8
137.05949	10.5
140.07050	9.7
147.04494	4.4
148.05132	4.8
149.05971	12.3
151.07544	8.9
153.01813	100.0
153.02931	4.9
161.05959	95.0
161.09573	21.0
162.06593	4.8
163.07529	18.6
167.07030	46.8
167.10655	8.8
171.02853	11.7
174.06783	4.8
175.07504	10.4
177.05496	8.3
177.09097	31.1
179.07004	5.2
181.08568	22.8
189.09079	55.9
191.06978	11.1
192.07832	3.7
193.08563	75.2
200.96259	3.8
207.06461	3.6
207.10132	94.3
209.08125	22.6
221.11626	7.7
227.16467	11.7
285.11200	4.4
315.07019	22.9
322.22113	3.8
341.13986	4.6
343.15305	7.7
361.16479	29.7
373.16519	6.1
410.90222	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	558.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50227	2.1
69.03429	2.8
69.55053	8.5
73.02920	3.5
79.05487	7.3
85.02910	4.7
91.05466	20.2
94.04171	3.0
95.04961	3.5
97.02907	2.3
103.05439	14.9
105.07037	9.8
107.04939	31.4
109.06605	2.3
115.05489	4.2
117.07015	2.4
119.04929	23.1
121.06516	9.3
122.03647	6.3
126.44435	2.2
129.07014	7.1
131.04916	31.7
131.08546	2.9
133.02888	3.7
133.06490	7.4
135.08014	10.6
137.05962	89.1
145.06439	1.9
147.04385	14.1
149.05998	12.6
151.03949	2.4
151.07507	52.5
157.06476	4.6
161.05957	100.0
161.09573	22.4
162.06754	9.2
163.07524	62.4
165.05453	2.8
165.06915	2.4
165.09128	2.8
167.08525	3.5
174.06776	6.6
175.07552	9.5
178.50400	2.4
179.07007	4.9
181.08582	15.9
188.73744	2.4
189.09087	62.1
191.06963	3.6
195.08049	9.2
207.10138	100.0
211.45413	2.2
212.08350	2.4
219.10226	7.8
221.06020	3.2
221.09633	5.2
222.37430	2.5
223.07582	5.3
225.08990	2.5
227.10701	9.1
237.09271	2.3
251.32388	2.0
253.08583	4.5
255.10115	10.5
265.08545	4.2
281.11774	2.5
285.11194	13.6
287.12723	35.8
299.12784	5.6
311.12628	10.1
313.14252	35.4
325.14435	4.5
331.15350	79.5
343.15332	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	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05359	3.4
69.62566	3.9
69.62897	10.7
74.57480	3.6
77.78804	2.6
79.05492	6.1
80.95679	3.1
85.02845	3.1
91.05463	19.4
95.04947	6.1
103.05457	14.2
105.07012	12.5
107.04950	33.8
109.06505	5.3
115.05472	7.6
117.07092	3.8
119.04935	19.5
121.06519	5.8
122.03648	4.5
122.99221	3.0
129.06995	6.6
131.04904	21.4
133.06404	6.2
135.08028	8.6
137.05969	96.0
147.04463	15.6
148.05212	3.6
149.05936	9.2
151.07542	55.6
157.06480	9.0
161.05974	100.0
161.09575	19.1
162.06749	6.2
163.07518	47.3
167.08585	4.2
174.06766	5.3
175.07549	10.2
177.09119	5.6
179.07086	5.5
181.08577	9.5
189.09091	63.8
195.08078	7.4
207.08389	2.9
207.10144	83.1
210.06808	3.3
219.10094	9.7
223.07430	4.5
225.09132	4.0
227.10722	9.9
253.08704	3.7
253.12190	3.4
255.10185	11.2
267.10446	4.1
281.11655	6.2
285.11084	10.3
287.12726	38.1
300.65927	3.1
311.12775	15.8
313.14328	32.0
331.15402	55.2
344.39081	3.0
373.43967	3.5
579.71942	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	558.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09818	0.7
51.38350	0.7
55.01851	0.9
59.50130	0.6
69.03412	0.8
71.04989	2.1
84.46253	0.7
91.05473	2.6
93.03363	1.0
94.04183	2.1
95.04907	1.1
96.04486	5.2
97.02898	1.0
98.22601	0.7
103.05467	3.3
105.07011	1.5
107.04936	1.4
111.04469	1.4
114.05512	38.8
115.05390	1.4
119.04857	0.9
121.06551	0.8
122.03632	5.2
125.06022	0.7
131.04903	8.8
133.07315	0.9
135.07950	0.8
136.09970	0.8
137.05956	100.0
138.06305	1.3
143.04900	2.0
145.06438	1.6
146.03598	0.9
149.05946	2.5
151.03876	1.1
151.07576	5.0
151.96133	0.8
153.01811	16.6
153.05437	2.9
154.02206	0.8
155.04910	1.0
161.05943	6.1
163.07544	0.8
165.06923	5.7
167.08539	1.0
175.07529	5.7
177.09212	1.5
179.08551	3.1
181.06422	1.4
182.07265	2.9
187.07549	3.2
191.08578	3.2
193.06447	6.6
194.07272	1.6
195.08052	1.6
196.08754	1.6
197.09584	1.8
199.07484	0.9
203.06935	1.0
205.06577	1.3
205.08611	2.1
207.08061	3.8
208.08684	1.0
209.11285	0.8
210.06743	5.8
210.94585	0.7
211.07327	1.1
219.08025	6.8
221.05966	15.2
222.06689	1.7
223.07556	1.7
224.08252	4.9
225.09084	10.1
227.07065	1.4
227.10583	1.3
231.08107	0.9
235.07524	3.5
236.08270	2.3
237.05478	0.9
237.09084	2.1
238.06248	3.1
239.06898	1.0
239.10594	3.7
247.07549	3.1
249.09129	0.9
251.10640	7.2
252.07787	3.4
253.08582	11.6
254.09232	1.4
255.06477	2.5
255.10231	0.8
264.07776	1.6
265.08514	3.4
266.06564	25.0
267.10120	13.3
270.08780	2.3
279.10110	17.8
280.10672	1.6
281.08017	1.1
285.11163	48.7
286.11545	1.3
287.12592	1.0
291.09982	1.0
296.10284	1.9
297.11151	5.7
299.12677	7.2
311.12723	39.5
312.13162	1.3
313.14395	1.8
329.13773	17.0
341.13806	1.5
449.53476	0.8
558.29443	1.1
559.19385	1.8
584.03693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68766	10.5
55.05509	16.5
57.03443	10.9
57.07064	53.0
63.12822	8.5
66.57059	9.0
67.05505	48.5
68.86456	9.4
69.07043	17.7
71.08627	39.3
75.78581	10.0
79.05487	33.0
81.03407	47.1
81.07064	35.6
83.04977	17.4
83.08621	24.4
85.02890	22.6
85.10188	18.6
89.06020	13.0
91.05473	33.9
93.07027	24.0
95.04927	25.4
95.08601	34.7
97.10160	19.1
105.07027	20.3
107.04978	11.1
109.10181	16.2
111.08097	12.7
119.08574	19.5
121.10138	13.2
129.07050	9.3
131.08551	16.1
147.11684	13.0
157.10138	15.9
193.12189	61.1
211.13251	50.6
225.12691	10.3
244.08456	13.0
285.16943	50.6
313.27356	100.0
340.40973	11.0
411.30920	18.4
485.12943	10.1
505.38831	20.3
523.39868	69.8
558.53381	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	558.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55212	1.5
53.03946	1.5
55.01851	2.2
55.05510	10.6
57.03440	8.6
57.07074	20.1
61.31335	1.5
67.05504	16.4
67.23246	1.3
69.03417	2.9
69.07066	7.5
69.09905	10.2
71.04988	4.0
71.08627	14.6
78.42368	1.3
79.05489	9.6
81.03412	35.6
81.07054	16.9
83.04987	8.7
83.08604	17.8
84.63067	1.2
85.02903	12.2
85.06530	1.6
85.10181	7.5
91.05480	11.5
93.07046	6.3
95.04954	12.2
95.08601	11.9
97.02937	1.8
97.10167	3.4
98.23420	4.3
105.07012	9.0
107.04976	2.8
107.08566	3.0
109.06538	1.8
109.10126	7.3
111.08086	5.7
118.74424	1.4
119.08550	6.8
121.10165	4.7
123.08057	2.0
123.11698	2.0
129.07021	6.0
131.08551	5.8
147.11678	9.3
149.09631	3.7
157.10138	6.2
165.12779	2.2
170.83650	1.4
175.11163	7.6
193.12228	27.7
211.13268	61.5
239.23694	2.3
267.15802	8.5
285.16922	46.5
286.17343	1.8
313.27325	65.4
314.27563	1.9
317.23862	1.4
465.35764	5.8
505.38556	5.4
523.39905	100.0
524.40149	4.2
558.53137	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	559.1575
Annotation	Planifolin
Peak:m/z	Relative Intensity
66.91906	9.2
67.92668	10.7
98.23066	11.7
105.07111	10.8
109.02924	10.5
111.04395	12.8
137.06026	10.0
153.01793	13.8
239.87903	10.7
251.47124	9.6
310.73178	12.1
419.13113	13.1
527.15717	16.7
559.15143	100.0
559.30621	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1933
Annotation	Tetragonolide 2-methylbutyrate
Peak:m/z	Relative Intensity
59.55398	0.4
70.99177	0.4
70.99532	0.4
172.63736	0.4
203.71866	0.4
477.01111	0.6
516.99182	0.4
529.18390	2.8
541.18414	0.6
559.19312	100.0
560.19653	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	559.2875
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
52.69363	0.6
69.75390	2.5
75.21842	0.6
78.72467	0.6
81.39332	0.7
82.46910	0.6
98.23438	0.6
171.04234	0.7
226.41281	0.6
240.12885	0.5
250.36032	0.5
269.47726	0.7
367.13422	0.8
369.15277	2.1
467.24210	0.6
559.28723	100.0
560.29114	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	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01867	21.0
55.05506	41.3
57.03427	11.0
57.07058	2.9
59.05011	1.6
65.03938	6.3
67.05497	77.6
69.03422	4.0
69.07063	47.7
69.16296	6.9
71.04983	5.9
71.08617	1.9
79.05488	70.3
81.03409	55.6
81.07050	83.4
82.07391	1.6
83.04971	16.0
83.08612	23.3
85.02900	12.1
85.06526	3.7
91.05472	99.3
93.07036	57.5
95.01317	14.0
95.04961	38.4
95.08595	46.8
97.02923	2.2
97.06529	33.0
97.10162	7.3
98.23431	3.1
99.08096	3.4
103.05457	3.2
103.07088	1.4
105.04503	5.3
105.07018	100.0
107.04946	27.9
107.08585	31.5
109.06509	12.6
109.10123	14.6
111.04446	2.5
111.08076	8.1
113.06002	1.8
113.09650	1.7
115.05450	4.8
116.06177	2.0
117.07008	22.3
119.08569	57.0
121.06498	7.6
121.10151	16.3
123.04436	3.5
123.08051	7.9
123.11690	3.9
125.09612	3.9
128.06239	2.7
129.07001	14.9
131.07816	0.8
131.08559	35.1
133.06493	5.6
133.10118	51.6
135.08067	5.4
135.11668	8.5
137.09619	3.6
139.07567	1.9
141.07005	3.3
142.07774	3.3
143.08537	9.4
145.06480	3.8
145.10109	24.5
147.08047	4.5
147.11671	24.4
149.09584	14.4
149.13264	5.8
151.11148	3.7
155.08540	4.9
157.10117	14.3
159.08057	2.0
159.11655	17.7
161.09598	1.8
161.13274	6.6
163.11191	9.7
165.09062	2.0
165.12727	2.9
168.96085	1.3
169.10069	3.9
171.11684	5.2
173.09702	1.4
173.13284	5.9
175.11133	7.6
177.12767	6.0
179.14310	21.6
183.11700	3.9
185.13234	2.2
187.11194	5.4
189.12802	2.0
193.12207	20.5
195.13736	2.2
197.13280	2.6
199.14804	1.9
201.12660	1.7
205.12311	2.5
211.13242	14.8
211.14862	1.6
219.17357	7.3
221.13200	1.5
223.13173	1.6
227.12712	2.1
229.19475	3.0
233.15347	1.9
239.17960	3.5
247.20561	3.6
257.19000	9.2
267.15848	16.4
273.18460	3.3
275.20047	99.0
276.20288	2.7
279.15933	3.4
291.19534	3.3
293.21158	11.5
349.23691	12.3
467.31320	1.7
524.67273	1.5
541.35211	28.4
542.35718	1.5
559.36407	45.5
560.36786	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01861	4.6
55.05507	19.3
57.03431	6.0
57.07072	5.8
61.02916	9.6
62.19783	1.9
67.05498	16.1
69.03423	26.0
69.07064	53.7
69.51809	2.1
71.04973	2.8
73.02914	4.3
79.05113	2.2
79.05473	13.2
79.42471	1.8
80.04882	1.8
81.03395	12.6
81.07047	43.2
83.04953	5.2
83.08611	9.7
85.02897	53.4
85.06533	9.6
87.04462	8.3
91.03952	3.3
91.05453	12.5
93.07054	19.0
95.04973	4.4
95.08587	30.5
97.02878	23.2
98.97589	4.7
99.04462	4.0
99.08086	8.0
100.11246	15.0
103.05468	3.5
105.07012	23.4
107.08568	21.4
109.02877	8.2
109.06582	2.2
109.10142	31.3
111.04457	5.8
111.08064	3.2
111.11694	6.2
115.03891	2.1
116.98605	3.7
117.06999	4.9
119.08561	22.4
121.06555	3.2
121.10121	12.0
123.04407	2.7
123.08064	5.0
123.11662	5.3
127.03885	13.5
127.11211	4.4
128.06256	2.3
128.07098	3.8
128.98662	2.4
129.07014	7.9
129.12790	3.5
131.08543	12.2
133.10123	13.4
135.11681	9.4
137.05969	10.1
141.06999	5.1
142.07739	4.4
143.07489	3.6
143.08527	23.5
145.04956	7.8
145.10106	26.3
147.11665	11.9
149.13243	6.2
155.07333	3.2
155.08549	16.8
156.09488	2.3
157.10103	23.5
159.11674	21.7
161.05936	5.8
161.13254	10.7
162.06348	3.8
163.14764	3.3
165.07036	3.4
165.12885	2.3
167.08513	4.1
169.10127	14.4
171.11661	16.8
173.09601	3.1
173.13292	8.8
175.11151	4.3
175.14893	3.2
177.16360	2.5
179.07088	2.6
179.08530	4.9
180.09247	2.6
181.10049	10.3
182.15425	12.2
183.11685	15.3
184.12404	3.3
185.13239	12.2
187.14821	6.2
194.10928	2.7
195.11638	20.7
197.13152	12.6
199.14793	15.3
201.16405	4.3
205.08504	2.4
207.11679	3.0
208.12430	2.4
209.13237	21.3
209.16527	2.8
210.15038	10.9
211.14806	14.7
213.16423	7.0
215.17899	2.6
219.11856	2.9
221.13295	4.6
222.13861	2.1
223.14841	9.2
225.16298	5.2
227.14334	2.7
227.17931	3.1
229.15886	2.4
235.14819	6.7
236.15590	2.5
237.16335	4.2
239.17992	4.9
249.02837	2.5
249.16302	12.1
250.17278	2.6
251.17923	89.1
252.18358	3.3
253.19484	7.5
255.21059	3.5
263.17896	3.4
265.19720	3.4
267.21149	6.0
268.18161	4.2
269.19000	47.0
269.21921	2.8
273.22144	7.4
274.97406	3.2
277.19424	6.9
279.21057	6.7
283.20508	2.3
285.11105	2.6
285.18488	2.5
285.21832	4.9
291.20886	3.7
293.22525	2.7
297.11292	3.6
297.21960	2.7
298.11584	3.5
305.22589	19.4
309.22366	2.5
311.23898	2.3
312.12772	2.7
316.12680	4.6
319.23987	3.8
323.23801	9.1
351.74414	2.7
361.28833	37.7
379.29910	45.4
389.00363	2.9
397.25812	4.9
397.30811	40.9
398.31424	3.8
417.49026	2.3
431.18198	4.9
431.24228	100.0
432.24503	3.0
449.02594	8.0
464.82346	3.3
485.28864	6.2
497.30753	5.2
541.35370	22.6
550.36798	9.4
550.87122	5.1
559.13043	4.6
559.21271	5.1
559.29437	40.0
559.36993	14.2
560.31311	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.01867	24.3
55.05507	41.5
57.03432	12.2
57.21931	2.0
59.05003	2.3
65.03924	5.8
67.05498	80.0
69.03420	7.8
69.07062	45.5
71.04985	7.6
79.05486	72.5
80.24560	2.1
81.03412	59.6
81.06565	4.5
81.07050	89.1
81.21165	1.8
83.04972	20.2
83.08616	23.6
85.02896	16.2
85.06548	6.4
91.05473	95.1
91.06055	4.6
93.07040	61.0
95.01331	10.8
95.04963	33.8
95.08601	46.8
97.02843	2.7
97.06521	40.1
97.10184	10.6
98.23516	3.6
98.28138	1.9
99.08068	4.0
103.05481	2.3
105.04510	3.3
105.07018	90.2
107.04949	32.6
107.08589	34.2
109.06521	9.0
109.10142	20.5
111.04447	3.0
111.08083	9.2
113.05963	2.9
115.05444	6.3
117.07006	30.6
119.08572	56.8
121.06540	5.5
121.10136	19.5
123.04424	2.6
123.08086	7.9
123.11698	2.7
125.09631	8.5
128.06210	4.6
129.06985	21.0
131.08565	45.2
132.62988	1.9
133.06511	4.4
133.10117	52.6
135.08051	6.9
135.11650	13.0
137.09641	4.5
139.07599	2.5
141.07014	4.7
142.07790	6.2
143.08504	11.6
145.10103	34.0
147.08041	5.4
147.11674	33.0
149.09634	22.7
149.13213	4.7
151.11157	3.0
155.08578	5.7
157.10114	20.9
159.08066	4.6
159.11655	20.4
161.09531	4.9
161.13243	8.6
163.11215	10.4
165.09106	2.7
165.12785	4.0
169.08806	2.0
169.10138	8.3
171.11696	10.7
173.09653	2.8
173.13264	7.9
175.11205	10.0
177.12753	6.6
179.14342	19.8
181.10156	2.4
183.11705	9.4
185.09726	2.4
185.13229	10.5
187.11176	8.2
189.11174	2.7
193.12225	29.2
195.11642	3.6
197.13254	4.8
199.14775	2.6
201.12720	4.4
211.13220	21.6
211.14760	2.6
219.17444	2.5
229.19498	2.8
233.15410	2.7
239.17946	5.3
247.20589	3.6
257.18985	15.4
259.20538	3.2
267.15833	20.8
275.20032	100.0
285.17010	2.6
293.21213	10.8
297.22137	3.3
313.21649	5.4
315.23166	3.2
325.21350	2.4
331.22723	3.7
349.23691	15.2
369.02853	2.4
387.25220	2.9
431.29456	5.0
449.30478	4.8
459.40970	2.2
467.31516	6.8
485.32394	2.6
489.52280	2.2
523.34143	3.7
541.35138	40.3
542.35614	2.6
559.36218	69.0
560.36230	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	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74407	1.9
51.02385	2.9
53.03942	6.5
55.01870	18.3
55.05508	66.8
57.03440	15.0
57.07066	3.9
59.04993	3.5
60.49866	2.0
65.03935	6.3
67.05499	73.8
69.03422	5.4
69.07062	39.4
69.07660	15.1
71.01343	3.0
71.04980	8.8
79.05485	78.2
81.03414	37.7
81.07049	86.0
83.01307	2.8
83.04990	13.2
83.08614	28.6
85.02906	6.7
85.06542	8.1
91.05474	84.5
93.07040	58.9
95.01343	4.4
95.04963	32.9
95.08597	39.4
97.02893	3.4
97.06525	17.8
97.10159	34.2
97.10735	2.7
103.05389	2.1
105.04519	2.5
105.07023	75.7
107.04947	19.7
107.08590	38.4
109.06512	13.7
109.10166	19.9
111.04454	3.7
111.08071	8.2
113.05984	3.5
115.05447	6.5
117.07006	39.1
119.08574	54.8
121.06490	5.9
121.10149	21.5
123.08095	4.7
123.11702	5.9
125.09615	23.9
128.06241	7.1
129.06987	24.4
130.07837	4.1
131.08562	52.4
133.06442	5.3
133.09190	2.1
133.10129	41.2
135.08029	12.7
135.11705	15.1
141.07033	6.8
142.07762	7.9
143.08563	27.9
144.09323	2.9
145.06500	4.9
145.10120	44.9
147.08081	5.5
147.11687	29.2
149.09550	13.3
149.13240	6.1
151.11148	2.4
153.12871	2.1
155.08505	10.2
156.09415	2.6
157.10130	19.7
159.08142	4.2
159.11681	28.5
161.09601	4.7
161.13226	15.4
163.11163	12.9
165.12714	2.5
167.08646	3.7
169.10165	13.1
171.08102	2.7
171.11667	21.1
173.09677	4.5
173.13231	16.1
175.11191	6.8
175.14783	4.8
177.12733	4.3
179.14336	6.9
181.10118	6.5
183.08131	2.4
183.11690	10.2
185.13245	16.1
187.11195	5.3
187.14868	4.7
189.11194	13.3
191.14299	2.0
193.12268	13.7
195.11694	5.3
197.09772	2.5
197.13266	6.3
199.11171	3.0
199.14908	6.6
201.12827	2.7
205.15768	1.8
207.11656	2.3
209.13316	5.6
211.13190	10.0
213.16376	3.0
217.15800	2.2
223.14844	2.6
226.97682	2.4
227.12721	24.7
229.16080	3.0
235.14861	2.9
239.17984	4.3
241.19586	7.8
245.14026	2.5
247.20671	2.4
257.19064	9.8
259.20578	22.0
267.15723	11.6
273.18512	4.3
275.20047	46.7
275.22934	3.4
283.15283	12.0
285.21967	2.3
287.23691	3.3
291.19501	7.8
293.21207	4.0
297.22079	17.1
313.21637	2.4
315.23154	17.2
329.21002	2.5
331.22733	3.3
333.24313	8.8
337.21664	2.4
349.23773	4.9
421.30756	3.8
431.29547	4.9
439.31921	2.9
449.30383	12.0
467.31491	16.6
485.32568	12.8
505.32281	2.9
513.35638	5.9
523.34045	14.5
531.37598	2.7
531.61237	2.2
541.35187	100.0
542.35565	4.7
559.36206	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26283	1.7
53.03939	7.2
55.01868	16.1
55.05507	42.4
57.03424	14.0
57.07063	2.4
59.04979	1.9
65.03930	6.7
67.05499	91.7
67.05862	4.4
69.03423	4.3
69.06709	2.5
69.07065	36.4
71.04986	21.3
71.08627	11.3
72.19339	1.6
77.03922	2.2
79.05486	75.8
80.53384	1.6
81.03412	25.6
81.07050	100.0
83.01369	1.9
83.04986	14.7
83.08611	22.7
85.02921	3.1
85.06532	6.3
91.05475	73.3
92.05817	2.2
93.07037	67.8
94.45966	2.0
95.04961	31.2
95.08596	53.7
95.09204	2.8
97.02884	2.0
97.06528	18.4
97.10161	12.5
99.08078	10.7
105.04539	4.5
105.07018	64.0
107.04963	14.1
107.08588	43.3
109.06525	16.6
109.10137	24.1
111.08064	8.2
113.09697	1.8
115.05450	4.8
116.06214	2.2
117.07007	29.8
119.08572	42.6
121.06498	8.0
121.10123	30.9
123.08051	4.5
123.11691	7.9
125.09650	10.1
128.06230	5.7
129.06995	23.8
130.07764	2.3
131.08549	39.6
133.06493	5.1
133.10117	34.4
135.08058	9.9
135.11679	23.4
137.09584	7.0
137.13260	1.7
139.11182	2.1
141.06949	4.1
142.07747	5.2
143.08551	17.1
144.09328	1.9
145.06450	4.2
145.10117	32.6
147.08031	7.0
147.11674	19.6
149.09610	8.7
149.13246	12.4
151.11203	10.6
153.12761	2.3
155.08524	10.7
156.09306	3.3
157.10101	16.4
159.07999	3.0
159.11664	23.1
161.09642	4.8
161.13237	10.2
163.11153	13.7
165.12755	2.8
167.08530	3.2
167.10632	2.1
168.09383	2.2
169.10126	10.9
171.11670	13.2
173.09689	4.6
173.13188	14.8
175.11125	7.0
175.14838	3.6
177.12740	5.4
179.14294	31.0
181.10086	5.6
183.11699	8.0
185.13263	9.9
187.11221	2.3
187.14761	4.8
189.11232	3.4
189.12787	3.5
191.14236	2.3
193.12260	7.2
195.11778	6.0
195.13812	6.2
197.13286	6.2
199.14821	4.4
201.12776	2.3
201.16447	2.1
205.12187	2.3
207.11775	2.5
207.13690	2.6
207.17410	4.7
209.13341	2.5
211.14885	3.2
213.16492	2.3
215.14377	2.3
217.15863	2.3
221.13321	2.8
223.13087	2.5
223.15028	2.4
227.12759	5.2
245.18925	2.0
257.19083	2.5
259.20575	5.8
267.15845	8.6
269.17328	3.0
273.18433	11.6
275.20081	23.0
277.21622	24.1
283.20526	3.2
285.22113	6.2
291.19464	17.6
292.19946	2.2
293.21103	8.0
299.19913	3.3
299.23334	2.2
313.21701	4.0
315.23090	4.7
327.23080	2.1
341.24695	5.4
347.22128	2.1
349.23657	6.0
353.24316	2.0
387.25272	2.3
398.13403	2.0
435.32565	7.2
449.30768	6.2
453.33887	3.2
467.31442	7.0
485.32593	4.1
509.35941	3.0
527.37292	68.3
528.37335	5.4
541.35059	26.8
559.35864	53.0
560.36127	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	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01859	4.0
55.05506	29.2
57.03435	13.6
57.07072	3.8
57.20398	1.2
58.94075	1.2
61.30155	1.4
65.03915	3.4
67.05500	97.2
69.07058	23.0
71.04979	4.3
71.08624	2.4
74.61439	1.3
76.65978	1.4
77.03934	2.5
79.05486	92.4
79.71960	1.2
81.03410	8.8
81.07049	87.2
83.04971	13.5
83.08601	13.2
85.06540	5.0
91.05474	72.1
91.06059	2.7
93.07037	100.0
94.07373	2.4
95.04959	26.9
95.08597	67.9
96.08902	1.7
97.06512	7.5
97.10169	6.8
99.08113	2.1
103.05485	1.9
105.04518	7.4
105.07020	52.6
107.04956	6.0
107.08585	39.9
109.06496	6.5
109.10152	20.7
111.08054	4.3
117.07008	15.2
119.08575	34.2
121.06467	3.4
121.10136	25.7
123.08062	8.6
123.11688	4.7
125.09669	3.0
127.07594	1.8
128.06212	2.7
129.06996	19.3
131.08559	15.4
133.10121	19.4
135.08026	2.0
135.11697	15.9
137.13274	1.8
141.06976	1.4
143.08548	12.1
145.10086	18.6
147.08029	2.4
147.11676	46.0
149.13240	6.9
150.21297	1.3
155.08513	2.3
157.10112	2.8
159.11681	8.1
161.09612	5.0
161.13242	17.3
163.11157	2.0
163.14801	3.7
169.10110	3.6
171.11678	30.8
171.13043	2.4
172.12036	1.7
173.13269	5.8
175.14803	1.6
176.54129	1.5
179.14339	2.9
181.10123	2.2
183.11670	2.3
185.13107	3.3
187.14819	3.8
189.12769	12.3
197.13266	2.1
207.13780	27.2
213.24202	1.4
239.83211	1.4
245.22668	1.4
261.22159	9.6
279.15909	4.1
280.34265	1.6
281.17432	39.1
282.17725	1.6
317.24817	3.1
335.25781	53.8
336.26337	1.7
449.33960	3.4
467.35278	3.4
485.36185	4.2
523.37561	2.4
541.38824	63.5
541.47083	3.2
542.38965	3.9
559.39825	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93531	3.0
52.47808	3.5
53.03941	4.4
55.01848	5.6
55.05506	46.7
57.03425	10.7
57.07063	11.5
65.03925	5.2
67.05497	100.0
69.03434	4.4
69.07066	39.4
69.07404	6.2
69.07809	20.7
71.04978	7.4
71.08632	6.7
73.43649	3.0
79.05487	71.6
81.03400	8.5
81.07048	93.1
83.04966	11.2
83.08606	27.9
85.06532	5.3
91.05474	56.9
93.07034	77.6
95.04962	20.7
95.08599	73.6
97.06514	11.8
97.10147	11.7
99.08108	5.4
103.34174	3.1
105.04474	3.7
105.07013	50.5
107.04949	12.2
107.08574	33.6
109.10156	31.6
111.08080	5.3
115.05420	3.8
117.07008	32.8
119.08583	42.1
121.06494	5.5
121.10104	21.0
123.08070	11.0
125.09654	7.5
128.06181	9.0
129.06990	35.1
131.08553	69.0
133.06386	3.7
133.10110	27.9
135.08057	4.9
135.11679	19.9
139.11145	4.5
141.06990	14.9
143.08540	43.5
145.06421	4.3
145.10120	47.4
147.08003	5.7
147.11667	20.7
149.09598	4.5
149.13211	4.7
155.08533	27.8
157.10130	26.3
159.07967	4.5
159.11696	25.2
161.13249	8.1
163.11121	5.3
163.14789	6.7
167.08560	11.6
169.10121	35.5
171.08035	3.4
171.11682	26.9
173.13222	9.7
175.11067	3.8
175.14777	8.2
177.12672	3.6
181.10188	17.3
183.11665	19.6
185.13304	19.1
187.11237	3.8
187.14804	10.8
189.12679	7.5
193.10023	4.9
195.11641	15.9
197.13206	12.6
199.14824	12.2
207.11739	6.3
207.13788	10.1
209.13237	9.5
211.14764	9.1
213.16426	8.8
221.13332	5.9
223.14888	5.8
225.16360	9.5
227.18036	3.5
229.91931	3.3
235.14857	7.3
237.16258	5.0
239.18001	5.7
243.20895	4.4
256.26300	8.0
257.26630	7.2
261.22192	6.5
279.15836	10.3
281.17355	11.2
325.25238	5.5
335.25638	3.6
336.88647	3.2
343.26517	3.8
431.33069	7.2
437.34045	11.2
439.35495	6.2
449.34015	31.2
467.35199	17.0
485.36389	17.9
511.37714	7.9
523.37683	12.3
529.38995	22.1
531.40106	5.3
541.31018	5.0
541.38855	95.4
542.38788	6.5
559.39532	61.8
560.40460	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	560.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01867	3.2
55.05482	0.3
57.03432	2.2
60.14056	0.3
61.02921	1.6
68.99773	0.5
69.03420	7.1
69.07074	0.9
69.29395	1.8
70.04070	100.0
71.01373	0.4
71.04398	0.4
71.04981	1.3
73.02910	2.2
77.56451	0.4
79.38248	0.3
81.03411	7.8
83.01340	0.4
85.02896	21.5
87.00823	8.0
91.03960	0.6
97.02882	10.1
97.06534	1.8
99.04449	4.5
99.08096	0.5
103.03924	0.5
105.01855	10.0
105.02539	0.7
106.20219	0.4
109.02866	7.8
109.10178	0.4
113.99854	0.4
114.16392	0.4
115.03985	0.5
115.07559	2.2
117.01852	1.1
125.02361	0.4
127.03899	19.3
129.01869	1.2
136.87437	0.4
145.04941	13.2
145.06081	0.7
145.10086	0.4
147.02940	1.2
153.01808	0.4
159.02870	8.0
177.03972	0.8
189.03978	1.2
199.09650	0.6
213.03767	0.9
223.09700	0.7
231.04956	4.5
249.06128	0.6
318.09393	2.4
531.12305	0.4
559.30664	1.1
560.31006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69156	0.4
53.03932	0.7
55.01857	1.0
55.05506	3.8
57.07070	18.0
65.03940	0.8
67.05499	1.1
69.03419	1.6
69.07064	0.6
69.42886	1.7
71.04980	0.6
73.06543	0.8
81.03404	2.6
81.06564	0.4
81.07024	1.0
85.02906	3.3
87.00802	1.7
91.05448	1.3
96.05644	0.4
97.02879	2.3
98.22527	0.4
99.04465	0.9
105.07009	0.8
109.02860	0.8
109.10144	0.6
121.02848	2.2
124.08704	3.0
127.03867	1.6
129.06960	0.5
131.08560	1.0
134.12267	0.4
136.08673	1.0
143.04884	0.4
145.04869	0.5
149.02325	100.0
150.02660	1.1
154.09758	2.0
159.02875	0.5
161.05954	1.2
167.03401	2.0
172.10802	5.7
175.07484	3.4
203.06981	5.7
205.08549	8.2
213.43950	0.4
221.08134	1.3
225.81241	0.4
277.14319	33.9
281.14792	0.4
295.15390	1.5
321.17047	0.4
334.16019	1.2
406.17691	1.0
491.20743	0.6
543.25867	0.7
558.70728	0.5
559.28473	1.5
560.29083	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	560.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96479	1.8
55.05510	3.3
60.56589	1.2
62.53323	1.4
67.05499	20.4
69.03439	4.2
71.05004	2.3
79.04418	1.4
79.05482	3.5
81.03407	5.6
81.07051	20.5
85.02896	4.5
91.05486	2.3
93.07034	5.8
95.04965	3.9
95.08602	11.1
97.02893	4.0
97.06509	2.9
99.04433	3.2
99.08102	3.0
109.02884	6.4
109.06532	1.8
109.10148	90.5
111.04436	6.0
113.06019	1.7
119.08572	6.2
121.10141	5.3
123.04428	1.3
125.06030	6.6
127.03921	7.3
137.06056	1.7
137.09601	68.7
138.09930	2.2
147.08032	7.0
153.01799	3.2
155.10652	41.9
165.09096	66.8
166.09413	1.7
167.03398	3.6
167.07065	1.7
183.10146	39.7
201.11203	100.0
202.11592	1.3
203.05313	2.1
219.12202	6.6
235.16142	1.3
309.13232	2.3
327.14386	8.3
345.15366	18.9
363.03699	6.6
363.16449	37.0
381.13242	1.5
561.19220	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	560.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63775	3.6
57.03426	4.7
60.21438	3.2
64.64670	2.9
69.03426	11.2
70.42932	7.3
75.04458	5.4
79.05498	15.8
81.03427	11.8
81.07062	7.3
85.02915	9.7
91.05466	23.6
93.07032	85.3
94.02439	2.9
95.04955	7.7
95.08582	3.5
97.02895	10.3
105.07053	8.7
107.08591	12.6
109.02872	4.8
111.08106	8.1
119.04913	26.3
119.08577	15.2
121.06476	3.4
121.10134	78.6
127.03896	7.4
137.05959	100.0
139.11206	4.4
145.04950	3.5
147.04404	51.7
149.09621	14.9
151.07524	4.8
153.01823	9.1
167.10657	27.7
179.07016	35.4
189.09033	4.3
197.08133	4.9
204.05316	3.3
293.13876	4.3
311.14783	14.0
387.82608	3.6
516.25098	4.7
560.24109	23.9
560.31000	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	560.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81394	5.8
52.65701	5.9
53.03966	8.0
53.09195	6.1
54.71711	6.3
55.05496	8.3
62.32261	6.2
66.09548	6.1
67.05497	12.9
69.03430	14.3
79.05504	17.8
81.03407	9.4
81.07067	17.9
85.02886	16.2
91.05473	18.1
93.07027	100.0
95.04975	18.9
95.08607	12.2
97.02897	9.8
97.06533	6.9
98.07770	6.3
103.19225	6.4
105.07032	24.8
107.08599	26.6
109.10173	11.6
111.08114	8.5
117.06992	7.9
119.04942	8.9
119.08598	16.8
121.10125	93.5
127.03955	11.7
129.07007	6.8
137.05966	51.4
147.04469	7.8
147.11580	7.1
149.09621	20.4
151.07552	19.8
153.01837	27.9
163.07524	9.0
167.10657	22.0
175.07559	8.2
179.07115	9.9
185.57976	8.2
191.06967	8.5
201.09114	11.3
208.20152	7.1
259.13321	5.9
259.17017	8.2
269.15323	15.3
282.28476	8.1
297.14862	14.3
311.14847	15.0
315.15909	25.1
360.59689	7.8
459.20233	15.9
521.58453	7.4
560.31482	68.9
561.24652	8.2
561.32538	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	560.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01867	14.7
55.05503	34.7
57.03432	23.5
59.04997	3.4
67.05495	40.4
69.03411	4.7
69.07071	13.6
69.32046	14.1
71.04956	4.7
79.05486	40.0
81.03410	89.0
81.03893	4.3
81.07056	47.1
83.01340	6.6
83.04980	20.9
83.08607	35.9
85.02904	5.9
91.05479	47.2
93.07028	40.6
95.04955	35.1
95.08591	22.1
97.06508	8.1
97.10154	10.1
105.07024	41.3
106.07358	5.3
107.04931	22.6
107.08572	20.8
109.06527	12.6
109.10136	9.9
111.04442	5.1
111.08089	12.6
117.07005	15.8
119.08578	25.8
121.06469	7.3
121.10148	12.4
123.08076	8.4
125.09650	10.7
128.06200	4.6
129.07016	15.7
131.04919	4.6
131.08560	21.0
133.06448	3.8
133.10114	10.8
135.08063	4.5
135.11699	12.2
143.08559	6.5
145.10114	20.6
147.08055	7.3
147.11700	11.3
149.09657	10.5
153.09180	3.7
153.12726	6.6
155.08508	4.6
157.10091	13.0
159.11671	7.8
161.05940	5.2
161.09540	3.4
163.11180	19.8
173.09622	5.3
175.11209	5.4
193.12216	20.7
211.13266	9.0
227.12750	10.2
249.14691	3.5
257.18945	6.5
267.15881	68.3
275.20139	7.4
276.20496	5.1
283.15329	53.1
285.16888	4.1
350.23947	4.2
365.21027	4.8
383.22131	31.4
392.95154	3.3
401.23206	15.3
419.24088	3.6
439.25143	5.1
451.38409	3.7
457.25818	32.4
459.93295	3.6
475.20334	7.0
475.26877	100.0
476.26804	4.5
493.27759	11.3
542.35236	13.0
560.36932	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	560.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01867	11.7
55.05498	42.8
57.03427	32.5
64.29881	4.2
67.05487	46.4
68.05838	5.3
69.03416	9.0
69.07056	18.7
69.39564	6.3
69.39970	14.5
71.04994	7.6
79.05488	66.2
81.03407	98.8
81.07047	53.2
82.03760	4.0
83.01331	6.7
83.04958	19.8
83.08617	32.1
85.02902	8.6
85.06523	4.7
86.09688	5.6
91.05468	58.7
92.05787	3.9
93.07034	44.0
95.04955	35.4
95.08592	22.8
97.02858	7.7
97.06528	9.5
97.10161	20.3
100.88219	4.0
104.10730	13.4
105.07024	46.7
106.07415	4.0
107.04955	23.4
107.08587	31.2
109.06525	10.1
109.10135	11.6
111.04467	9.7
111.05213	4.0
111.08042	7.9
117.06988	15.6
119.08578	36.5
119.23680	5.0
121.06560	9.2
121.10101	19.5
123.08066	11.3
123.11658	7.6
125.09610	12.7
129.06995	11.5
131.08553	23.5
132.08855	4.7
133.10098	21.6
135.08112	6.7
135.11725	11.3
141.06972	5.8
145.06483	8.9
145.10121	25.3
147.08070	5.5
147.11662	15.0
149.09605	11.1
157.10100	15.6
159.11624	6.0
161.09569	5.1
163.11172	21.4
171.08043	4.6
173.09616	5.0
175.11104	8.4
183.11601	5.2
184.07327	11.3
189.11290	5.7
191.10608	8.2
193.12180	28.5
194.12582	7.6
209.11688	5.5
211.13203	9.5
227.12788	10.5
242.49994	5.1
258.19296	7.1
267.15878	73.1
275.20050	19.1
276.20401	7.0
283.15350	53.3
289.14380	7.2
349.23907	6.8
350.24084	6.9
365.20972	8.7
383.22073	33.6
401.23117	13.9
421.15472	4.9
439.24649	5.9
450.30606	6.9
457.25723	38.5
468.32126	5.7
475.26871	100.0
493.27786	9.8
508.18118	5.2
542.35431	21.3
560.25958	6.3
560.36200	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06305	1.3
56.96548	1.6
57.89195	1.5
69.97929	2.8
98.23355	2.2
118.42154	1.5
128.96501	1.6
128.98582	2.0
223.02980	1.6
237.02733	1.9
313.03928	1.8
326.04651	1.9
327.05319	2.3
328.06021	2.5
354.07819	1.8
372.08774	8.2
384.08765	1.8
387.11166	11.6
390.09714	5.3
399.11301	2.6
405.12204	6.3
417.12204	6.2
435.13394	3.3
531.15570	3.2
561.17004	100.0
562.17542	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	561.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76932	3.0
71.42844	3.8
91.05455	4.7
95.04939	3.8
108.28928	3.0
137.05949	14.2
151.03868	6.5
151.07585	4.1
153.01816	17.0
155.10393	3.2
157.45311	3.2
175.12885	2.9
209.08078	10.8
305.03030	3.1
309.10968	4.5
341.13504	4.2
372.08459	4.5
387.11255	6.5
405.12549	3.9
417.12265	3.8
561.16986	100.0
561.31744	10.2
562.17334	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	561.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66146	2.3
67.05492	3.1
69.03423	2.9
69.13081	16.7
74.78448	2.5
77.49201	2.8
81.03423	3.7
81.07046	3.7
85.02879	8.0
87.00780	2.7
107.08547	2.8
109.02903	2.8
120.33075	2.7
127.03878	3.9
137.05988	13.9
140.78552	3.4
149.97772	2.2
151.03864	8.8
153.01839	15.9
161.05983	5.1
175.07498	3.8
182.49408	2.5
209.08081	7.8
220.29259	2.7
291.09940	3.2
353.13684	2.9
371.80362	2.6
387.11218	4.9
390.09741	4.5
417.11938	4.3
529.17371	3.1
561.16931	100.0
561.31244	6.5
562.17480	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21409	1.1
51.02382	1.3
51.19136	1.2
51.64833	1.3
53.03935	3.8
55.01880	6.3
55.05512	26.2
57.03440	9.4
57.07058	4.0
65.03941	2.4
67.05502	62.7
69.03416	3.2
69.07063	19.0
71.04984	5.3
71.08268	2.1
71.08630	31.2
77.03918	3.2
79.05491	59.5
81.03413	37.5
81.07053	69.3
81.96409	1.3
83.04975	15.9
83.08612	18.8
85.02887	12.6
85.06521	4.3
91.05479	59.0
92.05774	1.1
93.07040	62.4
95.04962	27.3
95.08602	37.9
97.02882	1.6
97.06509	9.7
97.10160	7.1
99.08092	22.0
105.04506	3.1
105.07020	41.4
105.33688	1.4
107.04950	15.1
107.08588	31.3
109.06492	7.4
109.10170	15.0
111.04432	2.5
111.08067	6.9
113.05916	1.5
113.09647	3.1
115.05445	1.8
117.07007	10.6
119.08583	29.2
121.06520	3.6
121.10136	31.5
123.08076	3.8
123.11681	5.2
125.09618	2.8
128.06241	2.6
129.06990	14.2
131.08559	14.2
133.06509	1.6
133.10126	18.4
135.08058	2.1
135.11687	32.1
137.09601	4.2
139.11176	1.6
141.09088	3.7
142.07832	2.0
143.08543	4.4
145.10159	7.8
147.08043	2.6
147.11674	14.3
149.09634	4.7
149.13232	11.4
151.11185	13.8
153.12756	1.3
157.10107	7.5
159.11653	6.1
161.13252	14.9
163.11160	8.0
163.14775	2.4
165.12750	2.6
167.10683	1.8
171.11742	4.4
173.13257	3.5
175.11194	6.0
175.14799	2.8
177.12770	4.5
179.14304	100.0
180.14546	2.1
185.13295	2.9
187.14830	2.7
193.12233	19.3
195.13795	2.5
199.14784	2.3
207.17482	3.4
209.11755	1.6
211.13226	15.5
213.16313	1.4
221.15356	3.1
235.16927	2.9
241.19545	3.0
247.55019	1.5
257.18790	2.0
259.20490	7.9
267.15894	20.7
269.17386	1.5
275.20016	3.2
277.21619	68.9
278.21954	2.0
280.00977	1.5
293.21103	1.5
295.22586	6.4
309.29889	1.3
351.25253	11.9
414.45819	1.4
433.30933	1.5
451.32159	1.6
469.32742	2.3
473.48950	1.4
543.36780	25.5
561.37927	39.1
562.38342	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.6
53.03939	6.9
55.01866	20.3
55.05508	42.8
57.03433	14.2
57.07071	15.3
59.04987	2.0
64.49170	1.6
65.03934	8.6
67.05500	89.5
69.03427	7.4
69.07065	25.2
69.33266	9.0
71.04987	6.0
71.08624	18.1
73.02927	3.0
77.03925	3.0
79.05484	100.0
80.06271	3.9
81.03411	49.2
81.07049	83.8
82.04191	5.8
82.07386	2.3
82.38451	1.6
83.04980	19.2
83.08610	25.2
85.02887	3.6
85.06543	6.1
91.05471	81.4
93.07036	86.8
94.07368	2.3
95.04961	38.0
95.08597	51.1
97.02895	4.5
97.06524	13.8
97.10152	12.6
98.07284	8.2
99.04485	2.2
99.08093	13.4
103.04829	1.6
103.05458	3.1
105.04514	4.6
105.07019	58.7
107.04961	11.1
107.08584	49.1
108.09377	1.6
109.06539	8.4
109.10143	19.8
111.04430	3.6
111.08085	6.3
113.09646	2.3
115.05431	3.2
117.05511	3.2
117.07010	18.4
119.08578	39.8
120.09383	2.2
121.06498	5.2
121.10135	37.2
123.08072	9.6
123.11727	6.2
125.06004	2.2
125.09628	6.1
127.11197	5.5
128.06210	2.2
129.07005	13.0
131.08563	26.5
133.10114	34.2
134.10922	1.9
135.08066	4.2
135.11678	26.0
135.12622	2.1
137.09627	5.0
141.06946	2.4
142.40607	1.7
143.08600	6.1
145.10120	21.3
147.08058	4.1
147.11667	24.5
149.09621	5.0
149.13252	12.9
151.11151	9.9
153.09100	2.1
153.12692	2.3
157.10115	10.9
159.11694	12.7
161.13225	12.5
163.11214	10.9
163.14799	3.9
165.12697	3.0
169.10074	2.5
171.06532	2.8
171.11681	5.7
173.09644	2.0
173.11787	3.5
173.13286	12.1
175.11192	7.7
175.14853	4.5
179.14301	22.5
179.15736	2.5
181.12234	1.7
183.11694	1.9
185.13275	5.2
187.14828	4.2
189.12749	4.0
193.12210	11.3
195.13744	2.1
201.14851	2.1
207.13878	2.2
211.13254	4.5
213.16426	1.8
223.13332	2.0
227.12778	10.6
229.14221	2.8
241.19456	4.5
243.21100	3.7
249.14749	1.7
255.15860	3.7
259.20630	6.2
261.22116	6.0
267.15842	32.9
269.17633	2.0
273.18570	2.0
275.20004	6.4
277.21579	40.6
277.24496	3.1
283.15442	5.4
293.20935	2.1
295.22690	6.8
306.16727	1.6
315.23074	3.1
317.24759	3.8
333.24139	2.2
335.25876	6.3
351.25278	17.7
389.26773	3.9
469.32846	4.4
525.35645	2.0
543.36798	43.6
544.37195	4.5
561.37781	50.7
562.37762	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01860	6.7
55.05504	41.5
57.03436	16.7
57.07056	4.9
59.04993	1.9
65.03939	4.4
67.05499	100.0
69.03416	7.5
69.07062	24.3
69.22484	8.9
71.04975	9.3
71.08637	3.2
71.22861	1.9
79.05038	4.3
79.05486	73.3
81.03410	72.8
81.07053	78.2
82.07368	3.5
83.04981	17.8
83.08616	33.9
85.02905	17.7
85.06535	3.7
87.18703	1.9
89.07378	2.0
89.99844	2.1
91.05471	94.5
92.62894	1.8
93.07037	64.2
95.04964	35.3
95.08012	4.2
95.08597	48.6
97.02898	2.7
97.06511	9.5
97.10161	17.4
98.23533	3.9
99.08079	5.2
105.04508	3.5
105.07024	76.2
107.04971	10.7
107.08583	42.7
108.97967	2.6
109.06519	9.0
109.10152	35.6
111.04436	6.4
111.08075	17.1
115.05457	4.2
116.06200	2.2
117.07004	21.3
119.04955	2.6
119.08575	69.9
119.09428	4.5
121.06498	3.7
121.10140	30.3
123.08054	5.8
123.11687	5.5
125.09593	12.3
128.06221	5.1
129.06998	30.1
131.08551	49.2
132.08995	2.8
133.06508	5.1
133.10104	42.5
135.08081	4.3
135.11665	18.5
137.09612	6.2
141.07037	4.4
142.07770	6.2
143.08533	18.3
145.10112	36.9
147.08018	3.4
147.11673	59.3
149.09647	12.0
149.13261	13.5
151.11197	2.4
155.08556	8.9
157.10103	31.1
159.08069	2.3
159.11678	25.5
161.09656	3.9
161.13245	31.8
163.11174	7.1
163.14813	5.8
165.12776	3.3
167.08597	3.5
169.10077	11.0
171.11667	19.1
173.09592	2.6
173.11807	4.3
173.13258	18.2
175.11163	18.2
175.14842	13.1
177.12685	3.1
179.14290	2.7
181.10118	6.1
181.12173	2.8
183.11720	6.9
185.13220	13.6
187.14803	9.1
189.11191	7.1
189.12714	3.5
189.16321	1.9
193.12215	49.9
195.11671	4.4
195.13737	3.1
197.13261	6.0
199.14767	12.2
201.16405	2.8
209.13272	3.8
211.13260	73.6
211.14738	3.6
221.13266	2.8
227.12691	11.2
229.14267	15.0
231.21089	5.1
231.52695	2.1
239.17801	2.8
241.19463	26.5
243.20998	2.1
257.18961	3.4
259.20554	57.7
261.22101	3.7
267.15829	11.9
269.17551	2.3
275.20004	7.3
277.21625	7.3
283.15472	4.1
283.20416	4.1
285.16940	38.4
297.22064	10.4
299.23444	5.4
301.21509	2.5
315.23129	16.2
333.24207	34.3
335.25668	2.5
349.23770	3.2
351.25046	2.8
389.27057	9.6
415.29553	3.3
433.31128	9.8
451.31921	14.3
469.33380	9.9
487.33807	6.0
515.37024	4.7
517.35107	2.3
525.35754	21.0
543.36768	81.9
544.36859	5.8
561.37952	23.0
562.37421	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.8
55.05502	16.3
55.21644	4.8
57.03423	12.0
67.05496	26.6
68.03266	4.5
69.07046	6.3
69.69839	11.4
69.70187	9.2
71.04953	6.3
79.05490	27.5
81.03410	97.2
81.07072	23.2
83.04971	14.4
83.08606	20.2
85.02898	14.4
85.45147	4.3
91.05475	42.7
93.07032	15.1
95.04961	31.1
95.08601	9.0
97.10165	7.1
98.22740	6.0
105.07022	10.8
107.04948	14.5
107.08602	8.5
109.06494	5.0
111.08073	14.1
119.08564	24.0
121.10149	6.9
123.08013	5.1
123.95748	4.6
129.07016	11.9
131.08549	13.9
147.11655	17.2
149.09630	6.5
157.10112	11.8
175.11180	11.1
193.12236	39.8
211.13234	29.8
267.15863	100.0
285.16968	33.7
367.22803	13.7
385.23669	11.3
433.25632	7.5
441.25845	7.0
459.27310	41.6
477.28391	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
55.05510	12.3
57.03432	14.2
62.16935	2.6
67.05502	13.3
69.03418	4.0
69.07071	2.6
69.12504	11.5
69.12901	5.4
79.05478	17.0
81.03416	84.6
81.07053	16.8
83.04976	7.6
83.08623	19.0
84.09905	2.6
85.02912	10.6
91.05473	23.2
93.07047	10.7
95.04965	26.6
95.08607	6.4
97.02909	4.2
97.06506	3.0
97.10184	4.4
105.07024	17.5
107.04989	5.7
107.08554	5.6
109.06553	3.7
111.08082	8.5
111.35238	2.5
117.06993	2.3
119.08571	13.0
121.06437	2.7
121.10139	6.1
125.09650	4.8
129.06999	9.8
131.08560	11.8
133.06575	4.5
133.10161	6.8
145.06482	4.2
147.08138	3.2
147.11691	7.3
149.09637	7.6
156.21794	2.4
157.10139	10.9
175.11189	8.5
193.12233	37.1
197.07359	2.4
206.05820	2.3
211.13252	21.5
249.14943	2.9
255.13803	4.0
267.15909	100.0
268.16473	4.5
285.16974	21.8
367.22943	12.5
385.23685	10.8
414.77841	3.0
421.24579	2.6
433.25754	6.5
459.27396	37.8
477.28491	30.3
536.77374	2.5
563.99188	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	563.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77649	0.5
53.97573	0.5
56.05037	1.4
58.37950	0.6
58.49400	0.5
67.41212	0.5
69.03414	4.8
70.92146	0.8
81.03397	3.5
84.04494	49.0
85.02891	0.8
91.37220	0.4
99.04450	4.7
101.07139	6.1
102.05527	1.2
111.04495	0.7
123.04416	1.8
130.04985	82.7
135.04401	1.8
139.03876	11.2
147.07625	100.0
148.07970	0.7
151.03885	14.4
153.05418	1.3
153.55835	0.5
163.03874	5.1
167.03401	0.5
169.04814	0.9
181.04936	2.0
188.06982	1.4
189.05450	1.6
193.04918	0.6
233.08067	0.9
244.69910	0.6
245.11284	10.7
259.06024	0.7
301.06967	1.2
319.08072	13.5
507.08258	0.6
532.71570	0.5
565.34338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35707	0.5
56.05032	1.7
69.03428	4.6
71.33353	0.7
71.33705	0.6
81.03412	4.1
84.04498	71.6
84.22101	0.5
85.02890	1.2
95.04951	0.5
95.32100	0.5
98.30524	0.6
99.04447	5.5
101.07140	6.3
102.05517	1.6
111.23205	0.6
113.46102	0.5
123.04436	0.8
125.16558	0.6
130.04996	100.0
131.05359	0.7
135.04384	0.7
139.03899	4.1
147.07632	99.9
148.08006	1.0
151.03894	9.6
163.03894	2.5
166.92410	0.6
169.04819	0.6
189.05544	0.6
225.14212	0.5
227.10265	1.3
245.11345	8.2
311.20047	0.6
319.08060	3.8
367.29962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2096
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
51.90749	0.5
53.91651	0.5
65.68777	0.5
70.59703	0.9
78.14059	0.5
79.84839	0.6
83.01102	0.7
84.01909	0.6
91.05470	0.8
91.73614	0.5
95.01109	1.7
97.23828	0.4
103.05480	1.1
107.04966	1.7
113.02139	1.8
119.04885	0.9
122.76247	0.5
131.04897	0.6
136.99176	0.5
137.05989	1.7
152.51921	0.5
161.06059	0.7
163.07565	1.4
167.03201	0.8
167.93321	0.6
185.04214	3.0
189.05293	1.0
201.03749	0.9
202.06064	2.3
203.05231	8.0
204.07562	5.3
205.08473	0.5
269.85114	0.6
284.48193	0.6
353.13351	3.2
383.14383	1.5
401.16180	0.8
506.69693	0.6
563.20959	100.0
564.21313	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	563.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36960	0.4
95.01068	0.6
100.98856	0.3
107.04945	0.5
113.02129	0.8
127.22702	0.4
155.03119	2.1
155.42181	0.4
161.96129	0.4
169.53276	0.5
172.03429	0.5
178.07079	0.4
185.04257	0.6
189.05186	1.0
203.05293	1.6
204.07539	4.0
205.19423	0.4
214.98349	0.4
216.76323	0.4
219.06270	0.9
233.07896	1.7
234.08601	2.1
235.27446	0.4
282.80722	0.4
415.85184	0.4
431.16675	0.6
443.12140	0.8
492.99310	0.4
547.96051	0.4
563.20947	100.0
564.21448	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	563.2103
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
55.03093	0.2
69.03448	0.4
81.03419	0.3
83.01084	0.3
91.05465	0.5
93.07035	0.3
95.01078	0.9
113.02115	1.7
119.08591	0.8
127.03775	1.1
128.06265	0.4
129.07068	0.3
133.10114	0.3
137.02129	0.4
142.75189	0.3
143.08540	1.2
147.08060	0.5
153.01811	4.2
155.03145	5.3
161.09602	3.7
161.10822	0.3
171.02730	1.2
173.04243	0.9
189.05269	1.8
189.09090	0.6
201.05219	0.3
203.14256	1.3
213.12798	0.4
219.06265	4.7
231.13857	0.7
234.08607	22.3
235.09369	1.2
249.14845	2.1
335.11005	0.9
351.10602	0.5
379.13690	0.5
433.60938	0.3
503.17767	0.4
533.20221	0.6
562.31732	0.3
562.39813	0.6
563.20959	100.0
564.21405	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	563.2252
Annotation	ES-242-8
Peak:m/z	Relative Intensity
53.41283	0.4
69.26534	2.2
91.05486	0.5
98.45997	0.3
101.40695	0.4
103.05473	0.4
117.00874	0.4
122.96343	0.4
137.05977	1.0
147.67183	0.4
159.04193	0.5
189.05315	0.5
204.07602	2.0
335.09122	0.5
351.12012	0.6
365.13754	0.6
381.13202	0.5
480.26224	0.4
533.21326	1.2
545.20599	0.9
563.22430	100.0
564.22723	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	563.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05495	2.0
56.00706	0.4
57.03435	0.9
59.04980	0.8
67.05499	3.7
69.07064	1.5
71.04963	0.7
78.90449	0.4
79.05485	4.2
81.03416	2.0
81.07050	3.3
83.04956	0.9
83.08593	1.2
84.14445	0.4
85.02910	0.5
87.04481	0.5
91.05463	4.2
93.07038	3.0
95.04942	1.0
95.08601	2.3
97.06573	0.5
98.22650	0.7
105.07021	2.6
105.07629	0.5
106.07294	0.5
107.04936	0.5
107.08587	1.6
109.10136	0.7
113.09367	0.4
119.08533	2.4
121.10123	0.9
125.09634	0.5
128.06134	0.4
131.08562	1.3
133.10117	1.2
134.10442	0.5
145.10141	0.7
147.11674	1.5
149.09604	1.3
149.13210	0.5
157.10162	0.8
161.13313	0.8
163.11169	0.5
171.11708	1.0
193.12286	0.5
227.12781	0.5
233.11552	0.4
233.14706	0.5
247.13005	2.2
278.65701	0.5
283.15134	9.9
284.15430	0.5
296.70255	0.5
303.15640	2.1
339.17725	5.8
527.36066	0.5
545.37384	1.0
563.31805	100.0
564.32251	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	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30353	5.4
55.01875	10.0
55.05517	28.1
57.03431	20.7
61.02935	8.8
67.05502	74.8
69.03427	9.0
69.07065	22.8
69.09177	7.6
69.09571	33.4
71.04984	9.8
79.05482	53.8
81.03412	26.1
81.07050	80.7
83.04971	12.9
83.08605	11.1
85.02896	14.3
88.58374	4.9
91.05470	33.2
93.07034	64.0
95.04964	15.2
95.08585	29.4
97.02902	5.8
97.06511	21.1
97.10178	8.1
99.08063	7.0
105.07018	30.5
107.04949	11.6
107.08560	33.2
109.06525	7.1
109.10147	10.7
111.08083	6.3
117.07035	19.1
119.08585	22.5
121.10154	22.7
123.08017	8.6
123.11694	6.3
125.09636	8.4
131.08586	15.1
133.10155	24.5
135.08086	7.0
135.11687	24.3
145.10112	14.8
147.11667	13.7
149.09610	9.3
149.13283	10.8
157.10104	9.5
159.11736	25.6
163.11194	15.0
173.13219	6.5
177.12790	17.8
188.95435	5.5
193.12285	7.2
195.13748	11.3
211.13351	7.1
213.48347	5.5
239.17963	8.1
254.07129	5.4
255.15897	47.2
257.19000	9.5
267.16049	5.9
269.17435	100.0
275.20114	36.2
301.16376	8.1
349.23706	53.4
367.24744	21.1
511.28680	7.7
565.18854	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	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.2
55.05506	37.9
57.03426	17.5
61.02909	6.8
66.98591	4.5
67.05154	7.5
67.05495	81.5
69.03423	9.1
69.07066	32.7
71.04989	9.7
76.29285	4.7
79.05486	59.9
81.03406	36.0
81.07046	100.0
83.04966	18.6
83.08612	26.2
85.02889	21.4
91.05473	55.0
93.07040	68.6
95.04942	26.7
95.08606	32.2
97.02909	8.2
97.06525	17.1
97.10188	10.7
105.07017	35.8
107.04944	12.4
107.08571	46.0
109.06494	24.9
109.10133	16.0
111.04470	5.9
111.08063	13.9
117.07029	14.3
119.08588	34.6
121.06525	6.4
121.10132	22.4
123.08080	7.6
123.11686	6.0
125.09592	11.4
127.03877	8.3
127.07614	5.2
131.08574	27.5
133.10094	24.0
135.08089	5.4
135.11696	16.4
143.08508	10.1
145.10081	23.6
147.11696	21.2
149.09634	15.1
149.13226	8.8
157.10094	9.5
159.11690	16.7
161.13222	5.5
163.11139	9.3
173.13176	5.4
175.11154	11.8
177.12743	16.8
179.14340	6.9
181.12199	10.0
193.12263	13.5
195.13806	5.0
211.13255	13.8
227.12723	10.2
255.15842	19.6
267.16013	10.5
269.17474	69.6
275.19989	37.0
283.15335	11.1
285.16940	8.4
301.16769	6.0
349.23688	72.6
367.24744	81.7
439.25980	6.1
462.15857	4.8
507.89856	5.5
511.28470	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	564.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.5
57.07083	11.9
58.45023	10.5
62.81315	9.7
67.05492	44.6
69.86775	37.9
73.13492	10.9
79.05486	19.5
81.07040	36.2
91.05491	19.0
93.07032	24.3
95.08592	15.0
105.07062	11.6
107.08581	14.7
119.08591	16.0
121.10147	24.5
127.44916	9.9
149.13234	13.9
175.11209	37.3
177.12747	100.0
207.13786	15.8
219.13855	57.8
239.51921	12.4
241.12282	17.3
269.17386	27.2
271.09497	11.4
327.19583	32.0
335.25748	42.2
406.96689	10.6
430.20596	11.9
529.38672	46.9
589.28015	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	565.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60765	0.6
54.82699	0.6
56.96551	10.3
69.74365	2.6
76.09073	0.7
79.54051	0.6
84.96025	5.1
98.97571	35.3
102.97050	0.9
110.97573	2.0
112.99110	5.1
116.98608	18.1
116.99411	1.4
124.99088	1.0
128.98596	2.4
131.00171	7.1
134.99619	4.5
143.00134	6.8
144.98154	1.7
146.99623	2.6
149.01215	7.7
153.01857	1.1
158.99620	13.6
161.01202	7.8
162.99213	1.6
163.03882	1.5
165.00760	0.9
167.02267	1.9
170.99680	2.2
173.01230	3.0
177.00694	11.0
179.00194	1.0
179.02242	1.1
182.99632	1.2
183.62126	0.6
185.01157	3.3
189.00591	3.4
191.02222	3.8
192.97951	0.8
194.99615	1.5
197.01219	0.8
198.99196	1.2
201.00624	3.9
203.02348	3.2
208.97606	4.8
209.03290	6.9
210.99124	1.5
213.00700	2.5
219.01746	13.5
222.99088	3.4
226.98611	12.3
227.02306	1.3
227.04414	3.8
229.00169	6.6
231.01736	1.1
233.03366	1.5
237.02776	9.7
241.00163	11.2
244.99699	5.9
247.01254	2.9
250.98643	2.9
259.01224	23.1
261.02783	1.1
263.00751	5.1
263.04160	1.7
268.99655	7.4
277.02295	6.7
279.03879	3.6
281.05441	3.1
283.01224	11.4
287.00803	6.1
293.05344	2.0
295.01096	0.8
297.02737	1.3
301.02258	10.9
305.01859	1.4
305.05215	0.8
307.65198	0.8
310.76215	0.7
311.00656	3.2
311.06479	1.0
313.02158	1.3
315.03796	1.2
323.00430	0.8
327.03860	0.8
329.01785	4.2
337.02469	0.9
341.01776	2.3
343.03201	1.7
345.54538	0.6
353.07495	16.0
353.11597	1.2
355.03485	1.1
361.00345	1.3
371.03598	1.3
371.08597	5.4
379.01492	2.2
403.01254	3.4
413.03754	1.5
415.05325	2.3
431.04962	3.0
433.06567	1.3
442.68015	0.8
445.06302	1.5
505.08563	100.0
506.08948	2.7
523.09662	6.5
537.10071	0.7
563.65833	0.8
565.10278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.1
68.22439	1.0
69.16359	6.8
85.02892	2.5
90.65013	1.1
97.02918	1.2
98.22755	1.9
99.04497	1.1
102.14000	1.0
107.04981	1.1
108.17928	0.9
109.02896	1.3
119.04913	3.1
121.02859	15.1
145.02811	2.3
153.05434	1.4
161.05963	1.5
171.04356	1.0
177.01845	1.3
189.01773	3.1
191.03398	2.8
201.01782	1.7
203.03362	4.0
203.05171	2.0
206.05492	3.9
207.02885	3.0
207.06148	1.3
215.03308	1.8
216.03784	1.1
217.04938	1.3
221.04340	1.4
233.04623	1.3
241.04990	1.0
268.07294	1.4
274.28027	1.2
279.06488	2.0
281.08127	1.9
283.06018	2.1
291.06726	1.2
293.08041	1.6
294.05191	6.8
295.05963	29.2
296.06595	3.8
297.07486	2.4
305.08090	1.4
307.05963	19.4
307.09280	0.9
308.06769	6.0
309.07599	5.1
317.08203	1.2
319.05954	2.5
320.06644	2.9
321.07535	13.4
322.08307	4.2
325.07031	32.4
326.07208	1.5
329.07968	1.1
333.07370	5.7
335.09128	3.9
337.07022	23.2
337.10812	1.9
346.08292	1.4
347.09186	5.6
349.07062	16.7
350.07477	1.6
351.08517	10.9
355.06821	6.0
355.11612	2.3
361.06952	8.1
363.08606	4.6
365.10223	3.1
367.07974	3.7
373.07034	2.4
373.12823	1.1
375.08698	3.6
377.10144	1.2
379.08047	30.2
380.08563	1.8
384.54514	1.2
385.06982	1.7
387.08423	2.9
391.08054	10.9
397.09116	18.4
403.07907	7.1
405.09549	1.7
409.09134	12.4
415.10135	6.0
421.09052	6.5
427.10220	12.1
433.08865	5.3
439.10092	5.2
445.11444	8.1
451.10236	9.3
457.11432	9.8
463.10168	2.1
469.11240	12.0
475.10275	4.1
481.11136	10.8
493.11255	7.5
499.12439	7.3
511.12372	14.0
512.12555	1.1
529.13403	13.4
547.14087	5.8
565.22858	100.0
566.22980	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	565.1546
Annotation	Vicenin 1
Peak:m/z	Relative Intensity
55.01859	6.3
57.03426	3.1
61.02926	2.8
69.82612	7.4
78.47472	2.6
85.02876	3.6
102.42599	2.6
104.47531	2.4
107.04957	3.3
109.02883	2.6
119.04935	9.5
121.02849	50.5
121.06470	3.2
145.02840	9.4
147.04337	3.1
159.04364	3.1
161.02339	2.9
187.03847	3.3
189.01830	10.2
191.03374	6.7
195.02901	6.8
199.03879	5.1
201.05605	2.8
203.03317	18.9
205.04805	2.9
207.02850	6.6
215.03429	8.2
217.04869	8.7
219.02896	5.6
221.04454	4.3
227.03377	3.8
229.04968	3.3
233.04414	3.6
239.07343	2.8
241.04996	4.1
243.02969	3.6
245.04340	4.0
255.02997	3.9
261.03815	2.5
267.06595	3.2
268.07382	3.6
279.06400	5.4
280.07361	3.6
281.07962	4.3
283.05991	8.9
284.06738	3.0
292.07172	4.2
293.08044	5.6
294.05313	17.7
294.08252	3.4
295.05966	99.0
296.06622	10.0
297.07462	7.8
305.07971	3.2
306.08917	3.7
307.05960	60.2
307.09149	3.0
308.06729	20.6
309.07526	28.5
313.06894	6.8
317.08099	5.2
319.05966	6.1
320.06631	9.8
321.07520	53.7
322.08334	10.4
323.05695	3.8
323.09235	10.0
325.07025	74.0
326.07413	4.3
329.08109	3.5
333.07513	32.3
334.08212	9.3
335.09106	28.8
336.06219	3.2
337.07050	58.8
339.08624	4.3
345.07544	15.2
347.09094	12.4
349.02737	3.0
349.07022	56.2
349.11041	5.0
351.08557	33.2
355.08072	7.0
358.08145	3.9
359.09164	6.9
361.06970	31.7
361.10815	4.6
362.07642	3.4
363.08505	37.7
367.08240	10.5
369.88181	2.9
373.07031	20.5
375.08569	10.3
379.08066	66.5
387.08566	9.5
389.10266	3.1
391.07974	60.3
392.08624	3.3
397.09134	6.6
401.10156	4.8
403.08047	14.0
405.09793	4.5
409.09119	78.2
410.09293	4.0
415.08475	8.9
417.09747	6.2
421.09027	8.4
427.10229	100.0
428.10504	4.1
429.09467	3.3
433.09167	15.2
439.09882	6.8
445.09756	5.4
451.09967	5.4
457.11160	13.8
463.10013	9.1
469.11349	6.4
475.10587	9.4
481.11133	35.4
482.11377	3.7
493.11496	19.6
499.12314	23.6
511.12201	60.9
511.85226	2.8
512.12976	4.1
523.14734	2.9
529.13348	32.0
530.13831	3.3
533.47180	2.8
547.14374	10.5
565.14984	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	565.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.3
53.03938	2.6
54.34997	0.8
55.01871	2.1
57.22494	0.8
65.03940	6.5
67.05498	1.8
72.01464	0.8
75.04493	1.6
77.03925	2.9
78.04704	3.3
79.05476	6.3
81.03406	3.2
81.07047	1.0
85.02898	1.5
85.10725	0.8
89.03928	1.5
91.05470	24.8
93.03407	1.2
93.07046	6.5
94.04188	2.0
95.04955	13.3
102.04678	1.3
102.21325	0.8
103.05457	17.8
105.03395	4.6
105.04495	4.4
105.07024	6.4
106.04169	2.8
107.04946	12.4
109.06564	1.4
110.03652	2.3
111.04427	2.8
115.05449	9.7
117.03362	1.9
117.07024	4.6
118.04122	2.3
119.04971	5.5
119.08606	1.2
121.06480	8.3
122.03642	3.7
123.04423	9.8
124.05193	4.4
125.05972	3.3
127.85670	0.8
128.06186	1.5
129.06982	1.1
130.04120	0.9
131.04919	9.5
132.05701	1.8
133.02840	35.4
133.06479	5.9
134.03615	1.7
135.04416	5.8
137.05965	18.2
143.04907	2.6
144.05682	1.7
145.06517	6.8
146.07272	1.1
147.04382	4.0
147.08055	1.5
148.05186	3.3
149.05977	8.5
149.09502	0.9
150.06888	1.1
151.03902	7.7
151.07527	12.8
152.04642	2.8
153.05505	5.1
153.06693	1.0
155.06001	1.6
157.06464	1.2
159.04416	1.6
159.08070	1.6
160.05206	2.6
161.05960	8.5
163.03862	1.4
163.07526	5.1
165.05486	11.3
165.06845	1.4
166.07634	1.1
167.07022	100.0
168.07419	1.4
171.06555	1.8
172.05202	1.1
173.05925	6.6
174.06760	1.9
175.07561	5.6
176.04671	1.3
176.08304	1.3
177.05467	2.8
177.09059	2.7
178.06151	0.9
179.07060	2.5
180.07704	0.9
181.04945	24.8
181.06348	1.2
187.07549	1.4
188.04710	1.2
188.08368	1.2
189.05450	1.1
189.09056	1.8
190.06206	1.5
191.05276	1.4
191.07014	28.7
191.08679	1.7
192.07568	0.9
193.06923	1.0
193.08644	3.0
194.07217	1.2
195.06400	1.3
195.08034	1.6
197.05977	1.6
198.06746	1.4
199.07642	1.0
201.05388	1.7
203.07018	7.3
205.08649	3.3
207.06445	1.3
207.08252	1.5
207.10112	1.8
209.05966	1.7
209.07965	1.2
211.07512	1.2
212.08223	1.0
213.09074	2.1
217.08534	1.9
219.06459	1.3
221.08051	1.8
222.06944	1.1
223.07468	4.8
224.08299	1.4
225.09030	2.5
226.06290	1.5
227.07042	3.5
227.10646	1.5
231.06493	1.0
233.06070	1.2
233.08138	3.2
235.07553	1.8
235.09688	3.9
236.08331	0.9
237.09021	2.3
239.06950	1.5
240.07819	1.7
241.08534	5.2
242.09334	1.0
247.07658	1.1
251.06796	0.9
251.10881	0.9
253.08676	1.1
255.10086	7.0
256.10840	1.3
261.09189	1.8
265.08591	2.2
269.08041	2.0
277.08432	1.7
278.09119	1.2
279.06470	1.2
279.10202	1.6
287.10022	1.0
287.12750	5.1
293.08066	1.2
295.09653	2.1
297.11115	1.2
301.10736	2.1
307.09677	1.5
308.10364	1.0
309.11188	1.9
311.08975	1.1
313.10587	1.6
315.12177	3.8
321.11093	1.2
322.11975	1.2
323.09171	1.6
324.10278	0.9
327.12231	1.1
329.10132	16.5
329.13989	1.2
337.10678	1.8
339.12103	2.3
341.13684	1.8
353.13806	2.2
355.11777	2.6
357.13339	2.1
381.13403	4.4
383.15060	1.2
385.12851	4.6
397.12720	1.0
420.34167	1.1
493.93036	0.9
505.18552	1.2
533.18207	1.3
535.19629	6.1
547.20013	1.6
565.20459	19.0
566.21094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.9
51.02361	1.2
53.03923	1.6
55.01863	2.6
65.03651	0.5
65.03939	5.3
67.05485	1.4
69.03403	1.0
69.12193	2.3
71.04963	0.5
74.77874	0.4
75.04456	1.2
77.03926	1.9
78.04707	3.8
79.05489	6.4
81.03414	4.2
81.07037	1.0
81.42276	0.4
82.04169	0.5
85.02927	2.0
89.03897	1.8
91.05474	23.9
93.03396	1.7
93.07041	5.8
94.04167	1.6
95.01332	0.5
95.04346	0.7
95.04961	12.3
97.06533	0.6
98.22703	1.1
98.23380	1.2
102.04666	1.0
103.05459	16.0
105.03383	3.8
105.04507	3.7
105.07024	6.9
106.04173	2.9
107.04259	0.7
107.04947	10.5
108.05741	0.5
109.02819	0.4
109.06494	1.5
110.03644	1.6
111.04433	2.6
115.04640	0.6
115.05444	9.3
116.06226	0.9
117.03345	1.2
117.07005	6.5
118.04159	2.1
119.04925	5.3
119.08546	0.8
120.05698	0.6
121.02825	0.4
121.06493	7.4
122.03625	2.8
123.04424	10.3
124.05236	3.6
125.05985	3.7
127.05462	0.5
128.06216	1.2
129.04448	0.4
129.06949	1.2
130.04134	0.8
131.03951	0.7
131.04927	9.8
131.05910	0.5
132.05733	2.2
132.29872	0.4
133.02841	32.1
133.06483	7.6
134.03568	1.3
135.04413	3.2
135.08009	0.7
136.05174	0.7
137.02321	0.5
137.05962	17.3
137.37540	0.4
138.03050	0.8
139.03917	0.7
139.07545	0.9
141.07021	0.8
143.04987	2.3
143.05977	0.8
144.05672	1.6
145.06459	7.3
145.07564	0.5
146.03621	0.9
146.07260	1.4
147.04381	3.0
147.08054	2.2
148.05177	3.0
149.05956	11.4
151.03897	6.5
151.07524	11.6
152.04662	2.8
152.06082	0.8
153.05455	4.9
154.06090	0.6
155.04918	0.7
155.05946	2.2
155.07115	0.8
157.06473	1.0
158.07298	0.5
159.04401	1.3
159.08031	1.2
160.05194	1.6
161.05972	8.9
162.06705	1.0
163.03903	1.0
163.07545	4.9
164.25650	0.4
165.05486	9.9
165.06961	1.3
167.07025	100.0
168.05748	0.5
168.07326	0.8
169.06525	0.5
171.04347	1.0
171.06529	1.2
172.05182	0.7
173.05984	6.4
174.06770	1.6
175.07507	5.2
176.04631	1.4
176.08252	1.2
177.05487	2.1
177.09117	3.6
178.06239	0.6
178.07732	0.9
179.03410	0.7
179.07024	1.7
179.08505	0.6
180.05609	0.5
180.07977	0.4
181.04953	22.1
181.06458	2.1
181.08371	0.8
182.05556	0.6
182.07231	1.1
183.04416	0.5
183.06514	0.6
183.08035	0.8
185.05971	0.5
187.07536	1.6
188.04526	0.7
188.08290	1.4
189.05429	1.8
189.06929	0.4
189.09123	2.3
190.06209	1.5
190.07832	0.6
191.07010	28.9
192.07597	1.0
193.04997	0.7
193.06839	0.4
193.08524	2.2
194.07292	0.7
195.08023	1.7
197.05951	1.2
197.09639	0.7
198.06638	0.9
199.07512	1.0
201.05452	1.2
201.09113	0.7
203.06969	4.8
203.08604	0.5
204.07765	1.3
205.06622	0.8
205.08479	3.5
206.07278	0.6
207.06516	1.6
207.08263	0.8
207.10162	1.1
209.06024	0.9
209.07901	0.8
210.06831	0.6
211.07561	2.0
212.08301	1.3
213.05452	0.6
213.09116	1.6
215.07016	1.1
216.07828	0.4
217.08560	1.8
218.07379	0.8
219.06439	0.7
219.08232	0.7
219.10063	0.9
221.06081	0.7
221.08121	1.1
222.06747	0.5
223.07524	4.5
224.08339	1.2
225.05444	0.8
225.09151	2.2
226.06239	1.8
227.07013	2.5
227.10550	0.5
229.08710	0.8
231.06511	1.2
233.05887	0.7
233.07968	4.7
234.06737	0.5
235.07483	1.1
235.09583	6.7
236.08260	0.7
237.09106	1.3
238.06361	0.4
239.07089	0.9
239.10672	0.6
240.07822	2.5
241.08536	5.6
242.09372	0.9
243.06519	1.1
243.10144	1.0
247.07558	1.3
248.08307	0.5
249.05356	0.5
249.09076	1.2
250.06154	0.5
251.07013	0.7
251.10791	0.5
252.07649	0.9
253.08643	1.2
255.06163	0.8
255.10167	6.2
256.10916	1.8
257.07925	0.8
257.11624	0.6
258.09033	0.7
261.09128	1.2
263.06982	1.2
264.07895	0.9
265.08508	1.9
267.10165	1.3
269.08063	1.0
270.08783	0.8
271.09659	0.7
272.10400	0.5
273.11212	0.6
275.07074	0.6
277.08566	1.3
278.09375	0.9
279.06564	0.7
279.10104	1.2
281.08160	0.7
281.11700	0.6
283.09653	1.2
284.10229	0.6
287.12720	5.6
289.08444	0.5
290.09216	0.8
291.10159	1.2
292.07590	0.8
292.10944	0.5
293.08011	1.4
293.11700	1.2
294.08728	0.5
295.06494	0.5
295.09683	1.6
297.07727	0.4
297.11307	0.6
299.09143	0.5
301.10718	2.2
305.07999	0.6
306.08737	0.6
307.09680	1.3
308.10352	0.8
309.11166	1.1
311.09247	1.0
313.10794	1.2
315.12158	3.7
319.09570	0.5
321.07599	0.7
321.11221	1.1
322.08490	0.6
322.12024	0.8
323.09250	1.2
325.10635	0.9
325.14285	0.7
327.12247	1.1
329.10153	17.7
337.10687	1.2
339.12332	1.3
341.13913	1.3
343.11823	1.8
351.12363	0.9
352.13571	0.6
353.10043	1.0
353.13876	2.1
355.11765	2.1
357.13437	2.0
365.10028	0.6
367.12036	0.6
369.13266	1.3
370.14493	0.5
371.15002	0.8
381.13284	5.3
382.14020	1.3
383.14853	1.7
385.12808	7.1
397.12970	0.6
399.14267	0.7
411.14584	0.8
415.14899	1.2
443.15060	0.5
503.17178	0.9
505.18594	1.7
515.16449	0.7
533.17603	0.8
535.19507	4.9
537.21198	0.9
547.19495	1.2
565.20636	20.5
566.20886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2253
Annotation	Bistratamide J
Peak:m/z	Relative Intensity
59.11647	0.4
69.03424	0.4
70.48087	0.8
81.03413	0.4
85.02895	0.5
93.07041	0.9
97.02892	0.5
103.80112	0.5
105.07043	0.4
121.06470	0.4
123.04413	0.4
142.77884	0.3
153.01802	1.9
167.07047	0.8
175.32472	0.3
181.05003	0.4
303.45120	0.4
338.46994	0.4
565.22479	100.0
566.22803	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	565.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05501	1.0
55.26921	0.4
57.03432	0.8
59.04989	0.9
67.05505	1.9
68.90128	0.4
69.07082	0.7
69.57470	1.4
71.04986	0.7
79.05486	2.1
81.03412	1.4
81.07045	2.4
83.04973	0.7
83.08602	0.8
90.81815	0.4
91.05481	1.5
93.07050	2.6
95.04980	0.8
95.08600	1.5
97.06516	0.6
102.42309	0.4
105.07018	2.3
107.08603	0.9
109.10188	0.5
117.07043	0.6
119.08577	1.8
121.10155	1.3
129.07021	0.8
131.08589	0.6
133.10138	1.1
135.11694	0.5
145.10181	0.8
147.11690	0.7
149.09619	0.7
163.11214	1.0
182.55095	0.4
233.11710	0.6
249.11041	0.6
267.15866	0.5
283.15149	11.8
305.13696	1.1
306.43454	0.4
310.20352	0.5
339.17761	6.6
352.25470	0.5
401.47803	0.4
423.06134	0.4
559.65234	0.4
565.29828	100.0
566.30237	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	565.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
57.03437	0.8
67.05504	2.3
71.04961	0.5
79.05497	2.0
81.03407	1.4
81.07063	1.9
83.04987	0.9
83.08605	1.0
85.02901	0.6
91.05465	2.8
93.07050	2.1
95.04974	1.6
95.08607	0.8
97.06519	0.8
105.07029	1.2
107.04926	0.7
107.08594	1.1
109.06523	0.7
109.10186	0.8
119.08571	1.3
121.06564	0.5
121.10126	1.0
123.08128	0.6
131.08601	0.8
133.10091	1.0
145.10115	1.3
147.11745	0.7
149.09575	0.6
157.10097	0.8
229.30434	0.6
249.11143	0.6
255.56750	0.5
265.14188	0.5
266.91861	0.5
279.82864	0.4
283.15170	12.8
300.03583	0.5
305.03244	0.6
305.13559	0.6
330.39151	0.5
339.17752	7.0
428.69440	0.5
462.99338	0.6
565.29767	100.0
566.30121	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	566.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69061	3.7
64.09626	2.9
66.74549	3.0
69.03438	4.8
70.54785	6.0
91.05470	8.0
93.07043	3.8
99.04440	3.9
105.07027	24.4
119.08570	34.0
122.29421	3.2
133.10127	38.5
137.05986	5.1
143.08592	6.3
147.08063	17.3
161.09625	43.1
179.10661	5.7
193.80862	3.1
207.10167	100.0
233.04218	3.3
234.08699	4.9
235.08867	5.9
369.15369	20.9
566.16693	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	35.1
62.32230	20.5
64.97714	23.2
67.05502	100.0
69.07042	25.5
73.16104	22.9
79.05508	67.1
81.03452	24.7
81.07049	86.1
83.61646	21.1
91.05481	70.0
93.07039	94.2
95.08599	57.3
98.23551	34.1
105.07054	63.4
107.08599	84.0
107.67287	23.4
109.10162	38.8
119.08579	44.5
121.10143	38.8
131.08542	30.4
133.10146	52.7
135.11702	54.7
145.10143	30.5
147.11703	27.8
151.23241	23.3
159.11736	26.3
171.11794	22.9
255.16011	77.6
259.20517	54.5
333.24396	32.2
566.41278	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	566.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
56.05024	0.3
60.85116	0.2
67.05495	0.4
69.07069	1.6
69.16845	1.7
71.08613	0.6
81.07066	0.3
86.09695	100.0
87.10015	0.5
93.07027	0.3
98.09677	0.8
105.74374	0.2
118.03632	0.3
154.15878	7.2
171.18596	0.3
193.04932	0.3
199.18027	31.6
200.18369	0.6
209.16577	0.5
211.18092	0.3
214.30817	0.2
227.17508	31.1
228.17873	0.6
267.24286	4.5
295.23761	5.0
322.24826	0.7
340.25912	29.7
341.26248	0.6
363.73376	0.3
368.25452	0.6
400.01685	0.3
408.32114	4.2
425.34839	7.6
453.34320	11.2
454.34720	0.6
481.34012	0.6
493.40775	0.4
501.93784	0.2
521.40479	1.4
538.43329	1.7
566.42102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	38.1
55.05522	5.0
64.51344	5.0
65.03937	10.9
67.05519	8.0
69.31139	4.9
71.04513	4.5
75.41612	5.4
79.05494	13.5
91.05494	15.4
95.04948	11.4
97.02888	6.0
100.11252	7.5
103.05455	15.6
105.07040	11.5
107.04950	12.3
110.03660	5.9
111.04453	10.6
113.66746	5.6
115.05515	7.5
119.04916	13.4
121.06517	10.2
122.03606	13.7
123.04414	6.9
131.04924	19.5
131.52571	5.7
133.06476	10.5
137.05980	100.0
143.04897	7.2
147.04361	9.7
149.05997	15.4
151.03902	26.2
151.07494	13.9
153.05414	14.7
161.05984	26.9
163.07571	9.2
167.07022	57.2
175.07510	17.7
177.05429	36.6
179.07129	11.8
181.04971	69.0
187.07484	6.0
191.07042	33.4
200.11775	5.4
209.08075	57.5
210.14862	5.2
211.07341	5.5
228.75688	5.1
236.08365	5.3
253.08348	6.0
262.09763	5.0
285.11014	6.3
295.09677	7.9
319.10138	6.1
323.12851	12.0
339.12183	16.8
355.11783	10.1
357.13220	6.5
371.14856	9.1
489.19507	7.0
519.20190	6.8
567.23914	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14002	2.3
52.37112	2.2
54.84016	2.4
55.01868	46.5
55.05502	6.6
58.51505	2.8
65.03922	8.8
69.07051	3.1
71.32381	3.2
75.12624	3.0
79.05486	4.6
81.07020	5.2
82.04169	4.2
83.08604	7.2
85.02868	4.7
91.05497	11.6
91.25526	2.7
93.07065	3.3
94.04172	3.8
95.04956	8.3
98.23290	3.0
100.11250	17.4
103.05455	6.5
105.04561	2.8
105.07013	8.2
107.04945	10.8
110.03668	5.6
111.04445	5.4
115.05469	6.4
119.04935	3.2
121.06492	10.2
122.03606	7.8
123.04408	4.7
130.40030	2.5
131.04900	9.2
133.02831	5.9
133.06487	5.0
135.04295	3.4
137.05972	84.8
137.07008	5.0
140.07080	2.4
145.06410	3.1
147.04404	6.1
147.07997	2.5
149.05951	20.5
151.03918	6.7
151.07553	12.5
153.05473	5.4
159.04401	2.4
160.05278	2.5
161.05927	13.0
163.03917	3.0
167.07043	37.4
168.07283	2.3
171.06488	8.1
175.07535	23.3
175.32970	2.5
177.05449	46.7
179.07040	5.0
181.04948	89.5
182.15392	15.3
187.07613	4.1
191.07007	5.8
194.07312	2.7
199.07698	4.2
207.06490	4.2
209.08064	100.0
209.10048	5.0
209.16451	3.8
210.14836	13.3
213.53065	2.3
219.08083	4.6
220.09093	2.3
221.07988	5.3
231.08058	2.4
235.09509	3.0
247.07462	3.2
248.08406	4.8
249.08948	2.8
251.10547	5.5
265.08575	5.2
279.10245	3.6
281.08182	3.1
283.09439	2.8
285.11172	4.4
291.10135	3.7
297.11179	6.2
303.10007	3.6
309.11008	4.1
311.12851	17.7
323.12753	12.9
335.12732	3.5
339.11990	2.4
365.13980	2.9
371.14880	3.9
383.14920	9.0
429.52347	2.7
507.20242	5.6
519.20044	6.6
537.20587	3.2
549.20660	3.3
566.92206	5.3
567.21643	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65799	2.6
55.01873	9.5
55.05520	5.5
65.03938	6.7
67.05509	3.7
71.00298	2.6
71.42378	2.7
77.03962	3.2
78.04728	4.8
79.05500	9.7
81.07100	3.8
84.09562	2.7
85.02898	4.1
88.12177	3.2
89.03911	5.0
91.05469	22.1
93.07050	4.2
95.04989	11.1
100.11275	12.2
103.05477	23.2
103.06070	3.5
105.03408	5.7
105.04533	3.1
105.07014	14.7
106.04202	3.1
107.04978	13.2
110.05642	2.5
111.04442	6.8
115.05478	12.8
117.07021	6.1
118.04155	4.3
119.05006	4.6
121.06528	6.2
122.03669	6.1
123.04433	9.0
125.06046	7.7
128.06200	4.2
129.07054	5.0
131.04932	26.8
133.02835	31.7
133.06552	10.7
135.04442	3.1
137.05986	38.3
139.45415	3.4
144.05779	3.6
145.06537	4.7
147.04433	10.8
147.08061	4.3
148.05234	10.0
149.06018	9.2
151.03905	5.9
151.07573	8.5
153.01855	12.0
153.05466	20.6
157.06517	3.8
159.08017	7.0
161.05972	15.6
163.03917	3.2
163.07552	17.5
165.05501	7.0
167.07024	94.6
171.08003	3.1
172.05180	3.1
173.05981	4.9
175.07547	22.9
177.05507	11.3
177.09169	3.5
179.07124	8.0
181.04950	19.2
181.08678	4.2
182.15454	6.9
187.07518	17.9
189.05482	3.4
189.09154	3.5
191.07021	100.0
193.34348	3.0
199.07491	4.3
205.08673	6.4
206.07318	3.4
207.06480	7.9
207.08232	3.2
209.08141	12.7
210.15027	4.7
216.07898	3.7
217.08647	5.8
218.07266	3.9
219.08121	6.6
221.08020	4.8
223.07521	4.5
231.08147	3.1
234.06740	3.2
235.07512	4.8
237.11188	3.8
241.08444	2.9
247.07617	4.2
248.08369	5.6
251.10654	4.1
261.09332	4.9
264.07849	4.7
265.08691	7.7
276.07846	4.1
277.08618	7.8
279.10037	4.0
281.11743	6.9
283.09351	3.2
292.11194	3.1
293.08282	5.7
295.09830	4.9
305.08130	3.0
306.08902	4.1
307.09714	7.2
309.11276	9.4
319.09744	7.0
321.11273	4.7
323.12854	6.4
327.12311	3.4
329.10175	5.9
335.09506	7.1
339.12204	24.4
341.13879	12.3
351.12027	15.0
353.13647	7.6
357.13513	6.2
383.13892	3.1
399.14188	5.2
401.16086	6.0
448.01221	2.9
537.21240	3.2
552.81860	3.1
557.92181	4.3
567.23297	22.4
567.35211	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	567.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46656	2.0
53.03942	2.3
55.05504	6.9
57.03424	2.6
69.98898	2.2
69.99229	4.5
70.06586	2.9
78.04677	2.2
78.86648	1.9
79.05478	9.4
81.03400	23.3
81.07050	3.4
83.04955	2.0
83.08617	3.8
89.51616	1.9
91.05466	8.6
93.07003	2.3
95.04958	8.9
98.07658	1.9
100.07621	2.7
100.11241	16.5
103.05450	2.3
105.07023	6.3
106.04143	2.9
107.04932	22.2
110.03600	2.2
111.04443	2.9
112.07594	4.0
114.09157	8.8
115.05443	10.7
117.07024	12.2
121.06451	1.9
121.45815	2.3
122.03674	2.8
123.04420	8.7
124.05182	3.5
125.05934	3.1
128.06204	4.3
128.07091	2.4
129.07007	4.1
130.04169	2.4
131.04945	6.9
131.08577	8.0
133.06509	4.4
137.05949	13.4
140.07076	2.4
141.06938	3.6
142.08607	6.8
144.05724	5.3
145.06462	30.7
149.05945	5.5
151.07478	2.6
152.04691	2.2
153.01837	6.6
153.05450	7.2
155.06036	6.0
155.07146	4.0
156.05685	8.6
159.08078	11.7
161.05922	10.3
163.03897	3.0
163.07593	2.5
165.06932	2.6
167.07024	100.0
168.07372	2.4
173.05945	30.5
175.07542	4.2
176.04662	2.2
177.05453	5.1
179.06924	3.2
181.04916	8.0
181.08582	3.0
182.15355	16.2
183.06473	2.9
183.15721	2.4
184.05302	2.3
187.07504	14.0
189.05479	4.2
190.06244	17.8
191.06995	8.6
193.08572	7.1
195.06558	4.6
199.07475	2.2
202.06180	3.9
203.07019	3.4
204.07793	2.5
205.08585	35.2
207.06477	3.1
207.10056	3.5
209.08064	6.0
209.16528	3.0
210.14864	8.2
211.07556	2.2
217.08536	22.8
219.10130	8.2
220.07260	7.6
221.08162	2.3
223.07445	2.2
226.19130	2.7
235.09656	8.2
241.08455	2.5
241.10693	5.5
247.07481	3.3
247.09662	34.3
248.08174	4.3
263.10742	4.6
264.07773	4.4
265.10800	3.7
269.08029	10.2
271.09531	4.9
275.07001	2.4
276.07794	4.3
277.08472	2.7
279.12390	10.4
282.08783	4.7
291.12231	9.2
293.08112	3.8
307.09641	5.5
308.10263	3.4
310.08194	3.8
315.08524	20.3
319.09506	3.5
323.09024	2.6
323.12738	6.5
329.10162	6.0
330.10925	14.1
331.11505	5.2
337.10693	4.4
339.12265	5.9
343.11533	5.2
351.12195	13.8
353.10059	3.7
368.12546	3.3
368.25223	4.6
371.14841	10.3
373.12759	2.5
383.14902	12.3
401.15894	7.2
404.14557	16.0
405.15198	2.9
417.15381	3.3
425.34628	3.7
445.18307	3.5
457.18561	10.1
469.91370	2.7
475.19516	9.6
478.18170	18.9
492.23602	2.4
531.21613	2.5
549.23059	7.2
566.42664	11.0
567.24164	35.1
567.42975	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	567.2777
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
51.41856	0.6
52.51166	0.6
55.05507	1.0
59.04974	0.7
67.05488	3.0
69.07074	1.5
79.05487	2.1
81.03421	2.9
81.07050	2.5
83.04970	0.8
83.08624	1.1
85.02874	1.0
91.05479	1.6
93.07049	1.9
95.01065	0.7
95.04958	1.0
96.52917	0.7
98.23488	1.4
105.07059	1.4
107.08594	1.4
109.10166	1.0
111.08100	0.7
112.82388	0.6
119.08624	0.9
121.10146	1.5
129.06935	0.7
131.08533	0.8
133.10164	3.3
137.09598	1.7
147.11734	0.7
149.09634	0.6
157.10143	0.6
175.11102	1.1
185.04207	0.8
191.14305	0.9
193.12221	1.4
201.03694	0.8
203.05305	2.0
251.12549	6.5
259.07898	1.9
283.15253	4.1
307.15176	3.2
311.88251	0.8
331.09851	4.5
336.35861	0.6
339.17902	4.4
373.14853	1.0
387.16275	0.7
387.21411	1.0
405.22528	1.7
427.18869	0.9
455.18729	1.8
469.20383	6.7
483.46005	0.7
498.20535	0.9
549.26666	29.4
550.27148	1.5
567.28485	100.0
568.27234	4.5
582.44873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.7
67.05502	5.9
69.07040	2.1
69.65195	0.7
70.54101	1.7
79.01578	1.6
79.05453	1.8
81.03390	2.6
81.07043	3.6
81.84724	1.0
91.05450	2.4
93.07036	2.4
105.07003	2.6
107.08591	1.2
109.10127	2.6
111.55501	0.9
119.07590	0.8
127.75346	0.9
130.17885	0.7
138.02861	1.8
138.29482	1.1
139.03641	3.2
151.03642	0.9
173.11664	1.3
185.04237	1.4
223.13045	2.8
249.10921	1.0
267.11871	2.0
305.13507	1.4
323.14465	2.5
331.10056	4.4
339.17621	1.2
359.63110	1.0
365.15778	4.9
373.14664	1.0
400.49057	1.0
405.22525	1.8
434.26190	1.3
449.24957	3.7
455.18304	1.5
469.20377	5.1
495.25433	1.1
549.26617	24.5
550.26495	1.2
567.27509	100.0
568.28027	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	567.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42136	0.4
57.03429	0.8
59.04990	0.5
62.20216	0.4
67.05497	1.3
68.92554	0.4
69.14406	2.5
69.21570	0.3
71.04977	0.5
79.05482	1.3
81.03407	1.4
81.07056	1.9
83.04967	0.7
83.08630	0.7
83.91530	0.4
85.02915	1.1
88.82378	0.3
91.05480	1.7
93.07030	0.9
95.04977	1.2
95.08600	1.0
105.07047	1.1
107.08599	0.5
111.70478	0.4
119.08600	0.9
121.10160	0.7
129.06999	0.4
131.08577	0.7
133.10153	0.7
147.11714	0.7
149.09578	0.8
157.10126	0.8
175.11281	0.7
233.11391	0.4
251.12622	1.8
267.15958	0.4
283.15128	11.4
307.15112	1.5
339.17764	5.7
373.61975	0.4
567.31415	100.0
568.31927	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	567.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77887	0.6
52.21230	0.4
57.52660	0.5
63.24980	0.5
65.66610	0.4
67.05497	1.1
71.43046	0.7
75.39455	0.4
77.25652	0.5
79.05498	1.6
80.34296	0.4
81.03409	1.6
81.07037	1.8
83.08612	1.3
85.02918	1.0
87.37834	0.5
91.05482	1.5
93.07034	1.1
95.04971	1.1
95.08596	0.8
98.23080	0.5
105.07011	1.1
107.08592	0.8
111.08086	0.5
117.02654	0.4
119.08571	0.6
121.10130	0.9
129.07018	0.7
131.08540	0.6
133.10168	0.7
147.11693	0.6
149.09720	0.7
157.10153	0.6
180.05508	0.5
193.12350	0.8
200.93834	0.4
251.12613	1.4
265.14151	0.6
267.16040	0.6
283.15128	10.7
284.15216	0.7
305.88788	0.5
307.15179	1.4
339.17801	4.6
350.85498	0.5
395.29587	0.5
567.31384	100.0
568.31708	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	568.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01849	1.8
55.05501	3.4
55.45243	1.6
56.24789	1.6
69.03415	3.2
69.07069	5.0
69.58495	5.9
72.49751	1.6
73.73167	1.8
79.05474	3.6
81.03414	7.2
81.07052	3.8
85.02896	10.6
87.04458	2.3
91.05453	5.0
93.07018	1.8
94.04259	1.5
94.72469	1.7
95.04970	4.3
97.02903	2.0
97.06509	1.9
99.08089	1.9
100.11276	6.3
101.11610	1.8
103.05457	2.2
104.07104	5.4
105.07027	3.8
107.04952	8.5
107.08585	3.0
109.02872	1.9
109.06470	2.4
111.07992	1.7
114.09228	1.7
115.05444	11.6
117.07019	13.5
122.03656	5.1
123.04369	1.6
125.09634	1.8
129.06987	8.7
131.04904	5.4
131.08566	4.9
133.06522	1.8
137.05963	82.3
141.07094	1.8
143.04938	8.3
144.05682	2.6
145.06479	21.8
147.08028	1.7
149.82835	1.7
151.03905	3.9
153.05446	1.6
155.06036	5.5
156.05705	5.6
157.06493	6.0
159.08066	5.1
160.05171	12.4
161.05991	7.1
163.07491	2.1
167.07028	28.1
172.05194	2.6
173.05974	47.7
173.09576	3.7
174.06752	1.9
175.07523	100.0
176.07808	2.0
177.05463	1.8
180.08681	2.1
187.07510	40.2
188.08061	2.4
189.09116	5.4
190.06224	19.0
191.06908	2.4
193.08574	2.9
196.17036	3.3
202.06160	2.4
203.07043	6.1
205.08578	82.0
217.08575	35.4
233.09715	2.2
235.07375	3.7
235.09633	37.5
247.09685	8.0
249.09207	3.1
261.09155	3.4
265.10666	26.9
269.07996	2.2
277.08737	3.0
278.09259	2.9
281.11942	2.4
285.07614	5.0
293.11740	3.4
300.09964	5.9
301.10638	4.0
306.09079	2.5
309.11185	3.3
321.11151	8.6
339.12207	3.1
341.13779	6.8
353.13785	12.9
371.14819	20.7
406.68771	1.9
428.28857	3.7
567.43353	11.9
568.23328	3.2
568.43201	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	568.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01849	1.8
55.05501	3.4
55.45243	1.6
56.24789	1.6
69.03415	3.2
69.07069	5.0
69.58495	5.9
72.49751	1.6
73.73167	1.8
79.05474	3.6
81.03414	7.2
81.07052	3.8
85.02896	10.6
87.04458	2.3
91.05453	5.0
93.07018	1.8
94.04259	1.5
94.72469	1.7
95.04970	4.3
97.02903	2.0
97.06509	1.9
99.08089	1.9
100.11276	6.3
101.11610	1.8
103.05457	2.2
104.07104	5.4
105.07027	3.8
107.04952	8.5
107.08585	3.0
109.02872	1.9
109.06470	2.4
111.07992	1.7
114.09228	1.7
115.05444	11.6
117.07019	13.5
122.03656	5.1
123.04369	1.6
125.09634	1.8
129.06987	8.7
131.04904	5.4
131.08566	4.9
133.06522	1.8
137.05963	82.3
141.07094	1.8
143.04938	8.3
144.05682	2.6
145.06479	21.8
147.08028	1.7
149.82835	1.7
151.03905	3.9
153.05446	1.6
155.06036	5.5
156.05705	5.6
157.06493	6.0
159.08066	5.1
160.05171	12.4
161.05991	7.1
163.07491	2.1
167.07028	28.1
172.05194	2.6
173.05974	47.7
173.09576	3.7
174.06752	1.9
175.07523	100.0
176.07808	2.0
177.05463	1.8
180.08681	2.1
187.07510	40.2
188.08061	2.4
189.09116	5.4
190.06224	19.0
191.06908	2.4
193.08574	2.9
196.17036	3.3
202.06160	2.4
203.07043	6.1
205.08578	82.0
217.08575	35.4
233.09715	2.2
235.07375	3.7
235.09633	37.5
247.09685	8.0
249.09207	3.1
261.09155	3.4
265.10666	26.9
269.07996	2.2
277.08737	3.0
278.09259	2.9
281.11942	2.4
285.07614	5.0
293.11740	3.4
300.09964	5.9
301.10638	4.0
306.09079	2.5
309.11185	3.3
321.11151	8.6
339.12207	3.1
341.13779	6.8
353.13785	12.9
371.14819	20.7
406.68771	1.9
428.28857	3.7
567.43353	11.9
568.23328	3.2
568.43201	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	568.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	5.2
55.05505	13.5
57.03430	7.0
63.99988	4.9
67.05511	7.7
69.03423	30.4
69.07047	16.1
69.98652	13.6
69.99020	12.1
71.04980	30.9
79.05478	22.2
81.07048	100.0
83.08561	7.2
85.02895	25.7
87.04451	22.2
91.05466	19.6
93.07040	40.1
95.04922	7.0
95.08588	31.1
97.02894	40.1
98.22656	6.2
98.23242	12.9
105.07034	42.0
107.08571	56.7
109.10136	30.3
112.57793	5.6
115.03909	42.3
117.06939	5.7
119.08577	82.3
121.10113	15.1
123.11677	24.6
125.09571	6.3
127.11177	29.5
133.04959	56.6
133.10127	31.4
135.11674	97.7
137.05942	16.4
143.10689	30.2
145.05095	6.8
145.10123	8.0
147.11687	33.9
149.05980	6.2
149.13234	7.7
153.01820	25.0
153.12718	7.8
161.05995	5.7
161.13255	25.1
175.07553	14.6
201.53908	5.5
203.17924	71.5
219.10147	86.0
221.18991	80.3
259.08072	6.7
279.81116	6.1
295.10272	9.9
327.12164	6.8
410.47476	7.5
413.02051	6.0
458.23730	6.5
563.55084	6.5
569.21899	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.8
56.67232	2.0
57.07061	9.7
67.05499	18.6
69.07050	17.3
69.73550	8.3
79.05475	19.5
80.06269	4.3
81.07052	32.1
83.05000	3.5
83.08620	5.0
85.06520	4.5
86.21520	2.2
86.70608	2.3
91.05465	39.5
92.06251	2.8
93.07035	40.8
94.07851	3.9
95.04954	36.4
95.08604	26.4
97.10150	2.5
103.05466	2.8
105.04501	4.0
105.07018	69.9
106.07814	4.7
107.08576	45.6
107.09256	3.6
109.06495	6.8
109.10125	20.1
115.05426	4.2
117.06989	22.9
119.08565	100.0
120.09364	6.5
121.10103	27.6
123.08056	15.6
123.11687	6.2
125.09654	3.3
125.64574	2.4
128.06198	7.7
129.06978	13.9
130.07787	8.6
131.08545	50.9
132.09337	11.5
133.10107	52.1
134.10925	6.8
135.08034	5.9
135.11678	23.4
137.09608	7.2
138.10379	9.1
141.06976	6.3
142.07784	14.9
143.08551	46.7
144.09334	10.0
145.10103	83.6
145.11217	4.4
146.10829	3.8
147.11639	27.7
149.09712	3.1
149.13214	5.4
151.14932	2.7
153.06926	2.6
155.08543	12.1
156.09354	16.8
157.10100	56.0
158.10893	12.1
159.11690	40.1
160.12389	2.5
161.09637	4.5
161.13248	6.8
163.11140	3.6
165.06995	5.7
167.08580	6.8
168.09325	4.3
169.10094	28.4
170.10904	10.1
171.11636	33.1
172.12477	7.7
173.13235	25.5
175.14798	25.2
177.12729	3.8
179.08553	6.5
180.09277	4.7
181.10100	13.9
182.10898	8.5
183.11664	30.0
184.12411	5.3
185.13228	29.3
186.13991	6.3
187.14819	16.8
189.12770	6.9
191.14275	14.2
192.15189	3.5
193.10107	11.3
194.10895	9.1
195.11703	17.3
196.12506	7.3
197.13257	26.1
198.13982	7.3
199.14801	9.9
201.12752	3.4
201.16354	4.4
203.14284	3.5
205.10100	2.7
205.15794	2.7
207.11697	9.7
208.12491	5.7
209.13231	21.7
210.13951	5.0
211.14755	19.4
211.16402	2.3
213.16414	7.9
215.14180	2.6
217.15877	9.7
219.11720	3.7
219.17366	3.2
220.04053	2.3
221.13300	8.8
221.30258	2.2
222.13951	3.4
223.14795	12.3
224.15613	4.2
225.16310	6.0
227.14346	3.2
232.96184	2.5
233.13239	5.1
235.14844	4.4
236.15443	2.9
237.16359	6.5
238.17238	2.5
239.17863	3.7
241.15929	2.4
241.19484	3.9
247.14810	3.8
248.76688	2.3
249.16353	3.7
251.17964	3.8
259.20578	3.5
261.16522	5.0
263.17932	5.0
265.19473	5.6
271.20438	2.4
275.17923	3.6
277.19455	3.1
283.20566	4.9
285.22180	5.2
294.86923	2.6
297.22034	3.8
305.22513	3.0
323.23569	8.4
337.25043	2.8
338.25955	47.4
351.26706	3.4
415.29401	2.8
430.32388	18.5
469.58640	2.4
476.36621	18.0
568.42609	28.0
568.56274	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	569.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42123	13.7
66.85249	13.4
67.05483	14.6
71.31292	12.6
71.43091	16.5
74.63211	15.3
80.72872	10.6
91.05475	25.1
95.04919	15.6
98.23228	16.6
103.05482	16.3
105.07066	33.0
107.22967	12.7
110.03657	17.6
119.04966	18.3
121.06546	16.3
121.10112	13.8
131.04883	12.1
133.02831	16.2
133.06497	25.9
135.04436	21.8
136.67873	12.3
137.05966	49.3
138.96806	22.8
147.04378	16.7
149.05966	20.2
151.03886	53.0
151.07513	27.0
153.01793	28.2
153.05496	15.4
161.05992	15.5
167.07030	82.8
179.07040	32.5
191.07150	14.0
193.08624	51.5
210.08510	14.0
211.09627	34.4
253.08543	20.0
255.06459	35.6
271.01050	17.0
313.01898	16.2
313.10825	17.6
327.12292	50.0
359.14743	100.0
509.16837	68.0
537.02124	14.8
554.86157	12.9
569.25244	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79911	11.1
50.84749	11.3
69.20033	61.9
79.05479	19.3
91.05468	17.8
95.04968	21.8
98.23273	47.9
105.07017	29.6
107.04945	9.9
111.04524	9.1
111.32547	8.5
118.96043	10.0
125.05997	11.1
133.06479	30.1
137.05962	81.6
145.06506	14.6
147.04425	10.7
149.05937	22.3
151.03877	30.5
151.07529	33.2
153.05443	32.4
161.05981	14.9
165.06972	14.1
167.07043	70.3
177.05492	18.5
177.09108	11.7
179.07050	12.8
193.08551	38.9
207.57903	11.3
211.09642	16.9
221.41573	10.0
224.47041	9.5
267.57764	9.8
283.09521	13.3
299.12766	10.8
327.12173	32.2
359.14880	100.0
371.15073	12.1
539.22736	20.5
569.24292	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	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77613	0.3
55.83738	0.3
56.69310	0.4
67.05524	0.4
81.07082	0.4
90.92097	0.3
91.05450	0.3
101.13702	0.3
105.07032	0.4
107.08568	0.4
119.08616	0.4
133.10173	0.4
143.00908	0.3
156.37250	0.4
170.39360	0.4
203.05290	1.3
251.12692	0.4
259.07986	1.2
269.13580	0.4
292.22314	0.3
325.16000	0.4
331.09869	0.5
397.18121	0.3
407.23947	1.4
457.20410	1.8
471.22006	3.2
475.65125	0.3
479.26141	0.4
487.21591	0.8
551.28424	0.5
569.29236	100.0
570.29553	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	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42129	0.9
74.87579	0.8
82.77456	0.7
91.55723	0.7
114.33337	0.8
120.07755	0.8
121.99831	0.8
137.06001	1.3
167.07056	1.0
193.60675	0.8
194.52406	0.9
283.15207	0.7
457.20477	3.2
471.21985	2.3
479.25876	1.2
569.29175	100.0
570.29675	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	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45934	0.4
67.05501	0.9
67.56721	0.4
69.06700	0.3
69.42896	2.0
81.03426	0.4
81.07059	0.7
85.02854	0.5
90.31393	0.3
91.05488	0.8
95.08587	0.5
97.02678	0.4
98.22694	0.5
107.08588	0.5
109.10181	0.9
119.08572	0.4
133.10014	0.5
149.09653	0.5
153.01787	0.9
172.37886	0.4
184.07286	0.5
185.04182	1.1
201.53490	0.4
251.12579	0.9
259.07974	0.7
275.07336	1.0
283.15082	0.6
307.15268	0.6
312.08844	0.4
331.09921	2.7
345.11475	0.6
387.16190	0.6
393.98679	0.4
407.23938	2.3
427.19452	0.7
441.20789	3.0
443.22418	0.6
471.22171	0.9
475.26852	0.7
479.26108	8.7
480.26343	0.5
480.54926	0.5
499.21259	1.3
519.25763	3.3
525.30450	1.3
551.27954	0.5
569.29230	100.0
570.29535	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	569.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
54.52345	1.5
55.05506	10.2
57.03413	1.8
57.07062	3.6
59.36693	1.2
60.68506	1.2
64.07709	1.3
65.03927	1.3
67.05497	22.4
69.03423	6.0
69.07059	14.2
70.08220	2.7
71.04976	2.8
76.22174	1.3
79.05486	6.9
81.03400	3.3
81.07048	24.2
83.04980	8.2
83.08609	8.8
85.02866	2.0
85.06525	3.9
91.05463	8.1
93.07041	11.9
95.04964	3.8
95.08598	32.8
97.02844	1.9
97.06523	3.0
97.10155	3.1
99.08065	3.7
101.79899	1.3
105.07028	10.1
107.08583	24.3
109.02888	2.2
109.06513	8.1
109.10145	85.7
111.08065	3.2
113.09610	2.4
117.07018	2.1
119.08567	41.8
121.10134	14.7
123.08063	12.2
123.11694	8.8
125.82714	1.5
127.03892	3.2
133.10109	24.9
135.11676	100.0
136.11974	1.3
137.09604	14.1
139.11150	1.9
143.87285	1.6
147.11739	1.6
149.13234	6.5
151.07533	1.7
151.11139	7.5
151.14844	10.4
153.12689	2.1
161.10120	1.4
161.13243	3.6
175.14795	39.7
179.14333	2.8
181.92921	1.3
193.15857	56.5
199.29044	1.4
202.12099	1.4
211.16913	43.7
238.56674	1.4
251.12398	1.8
277.85147	1.4
305.17389	2.7
323.18317	7.1
326.14111	1.8
341.19250	2.3
361.92569	1.4
375.49365	1.6
425.95517	1.6
479.25412	1.4
519.72797	1.7
569.31317	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	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03427	3.3
58.82373	0.9
61.02920	6.8
62.16254	1.1
62.88029	1.0
65.03933	1.9
69.03424	10.8
71.04990	1.2
72.75836	1.1
72.92561	1.0
73.02929	2.5
79.05473	1.1
81.03415	5.7
85.02895	67.3
86.09727	1.1
87.04463	1.3
91.03944	3.5
91.05473	100.0
92.05796	1.9
97.02891	18.1
99.04456	2.5
102.99694	0.9
103.98756	1.1
107.04949	13.7
109.02182	1.1
109.02876	5.0
125.00033	1.3
127.03905	16.9
130.83647	1.0
145.04951	25.2
153.01797	1.2
163.06020	10.1
177.67068	1.0
184.07381	4.0
229.08644	2.6
265.06824	1.0
516.77985	1.2
571.27588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01877	3.1
55.05507	7.4
57.03426	3.1
67.05499	20.4
69.03418	11.7
69.07059	12.9
69.12241	13.9
70.49920	2.0
71.04988	6.4
79.05504	10.1
79.76761	2.3
81.03405	31.7
81.07053	69.2
83.04993	7.9
83.08623	8.0
85.02905	6.2
85.06553	5.4
91.05470	20.9
93.07047	14.7
95.04958	4.0
95.08601	12.4
97.02892	10.8
97.06528	6.7
99.04463	4.4
99.08064	3.1
103.05483	8.5
105.07027	37.4
107.08584	14.9
109.02872	19.9
109.06509	6.6
109.10153	4.1
113.06000	3.4
119.08576	31.5
121.10135	26.6
123.11700	34.1
127.03905	28.5
127.07509	3.4
131.04910	25.0
131.08534	2.7
133.10085	2.6
135.04414	4.0
137.13231	3.0
145.04916	2.7
146.50868	2.3
147.11676	100.0
153.01883	3.4
157.10081	4.8
163.07530	11.7
165.12750	56.5
175.11261	3.8
183.13809	14.2
183.15182	2.6
191.14206	5.6
191.53375	2.0
193.12241	13.1
211.13310	9.4
229.14325	71.9
230.14717	2.3
297.06146	2.6
309.17026	2.7
319.15320	8.2
337.16431	36.6
355.17517	32.8
368.97073	2.4
373.18555	7.9
570.30554	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	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85616	3.5
50.85862	3.0
53.03938	6.3
55.05502	5.2
57.03422	4.2
67.05495	24.8
69.03423	10.6
69.07056	11.3
71.04981	6.2
79.05485	14.9
81.03407	27.0
81.07050	62.1
83.04962	4.3
83.08623	6.2
85.02905	9.7
85.06550	5.5
91.05459	23.4
93.07040	10.4
95.04960	4.8
95.08600	15.0
97.02901	8.6
97.06530	4.6
99.04445	7.2
99.08067	5.8
105.07010	36.7
107.08601	14.6
109.02874	15.6
109.10169	7.5
117.76595	3.0
119.08575	33.9
121.10121	32.2
123.08064	7.8
123.11703	34.3
127.03901	26.0
131.04918	12.4
133.10146	6.3
137.13252	4.5
147.11673	100.0
148.12013	3.9
163.07555	5.2
165.12733	58.4
175.11226	5.8
183.13820	15.0
193.12274	13.0
196.39363	3.5
211.13290	11.9
214.10802	4.1
229.14317	84.8
319.15457	5.8
337.16409	51.8
338.16891	4.2
355.17465	38.7
373.18723	10.2
570.29150	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33560	1.0
60.51641	1.1
61.01375	1.1
63.28805	1.1
69.62672	1.2
69.63026	3.7
75.82218	1.1
75.89956	1.1
89.43948	1.2
91.05463	2.5
93.07003	1.2
98.23419	1.1
99.46252	0.9
105.07008	6.2
107.04954	1.5
115.05438	2.9
117.06985	1.4
121.06522	3.0
131.04977	1.8
133.06506	8.4
137.05951	1.5
149.06087	1.1
151.07533	6.2
157.06514	1.4
161.05963	10.2
162.06775	2.5
167.07039	14.9
175.07539	2.6
177.09094	100.0
178.09448	1.8
181.08565	8.2
189.09102	4.8
191.07024	1.7
193.08597	47.3
194.08919	1.6
195.08356	1.0
195.10179	4.6
208.96007	1.0
221.11705	15.1
225.09027	1.6
285.11130	2.3
309.10889	1.4
315.12021	1.5
317.13864	2.4
341.13791	1.5
343.15375	3.8
361.16455	16.1
373.16483	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	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44510	0.6
69.97774	1.4
69.98140	1.1
71.52002	0.6
73.02908	0.9
75.56678	0.7
85.64880	0.6
91.05463	1.4
105.07000	0.9
107.04914	1.3
115.05465	0.8
117.06973	0.8
127.38291	0.7
128.06221	1.5
129.07013	4.4
131.08551	6.2
133.10114	0.7
137.05984	0.8
141.06938	2.4
143.08498	1.6
144.05669	1.3
145.06444	2.2
146.07243	0.9
153.01779	2.0
155.05927	0.9
157.06459	3.0
158.07207	1.2
159.08049	9.3
161.05975	1.1
161.09621	2.7
169.07599	1.0
170.07249	1.4
171.08043	2.5
173.05928	1.9
173.09668	0.9
174.06671	1.2
175.07526	2.1
187.07518	9.2
189.09067	3.1
190.06129	0.8
191.06963	0.8
198.06741	0.9
199.07489	1.0
201.09097	1.3
203.07024	1.9
204.07800	5.3
211.16878	0.6
216.07791	1.8
217.08672	1.0
218.09332	0.8
219.10191	3.3
221.11693	2.5
231.10211	3.5
233.11688	3.1
243.60902	0.7
249.11192	100.0
250.11476	2.0
251.12715	3.7
267.12241	3.8
300.93103	0.6
328.45111	0.8
362.46646	0.6
399.04163	0.7
399.96878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18489	1.6
57.03434	1.5
67.35530	1.5
69.60111	6.5
91.05438	2.4
98.22675	2.7
128.06206	2.6
129.07014	3.9
131.04915	1.4
131.08556	7.9
137.05989	6.2
141.07021	2.7
144.05695	1.8
145.06450	2.6
153.01645	1.6
157.06473	3.2
159.08052	11.3
161.05881	1.6
161.09639	2.8
170.07292	2.0
173.06000	1.4
175.07535	1.6
178.06160	1.4
181.08675	1.6
187.07516	9.2
189.09091	2.5
189.68034	1.6
193.08565	2.4
203.06964	2.1
204.07797	5.5
205.08513	1.6
219.10204	1.8
221.11617	1.9
231.10204	1.8
233.11749	1.7
249.11189	100.0
250.11685	2.3
571.27020	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	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24496	0.9
52.55699	0.9
57.03434	1.3
61.02903	1.2
61.48003	1.0
69.03405	1.7
70.55247	2.0
74.09689	2.1
78.04671	1.1
79.05475	2.5
81.17085	0.9
83.04926	1.0
85.02901	6.5
91.03924	1.1
91.05475	5.3
91.35474	1.0
93.07047	1.7
95.04958	2.4
97.02846	2.1
98.23045	1.8
103.05453	2.0
103.54700	1.1
105.07005	1.8
107.04959	8.8
109.06520	1.2
109.34089	1.2
117.06991	1.3
121.06504	6.4
123.04427	1.4
124.05200	1.5
124.16855	0.9
127.03883	1.4
128.06229	1.1
129.07005	7.0
131.04918	2.8
131.08531	4.8
133.02785	1.6
134.97058	0.9
135.04427	1.0
135.08041	2.3
137.05945	6.1
141.06964	1.8
145.04904	1.5
145.06476	1.3
146.03665	1.0
149.05959	1.2
151.03937	1.4
151.07506	5.9
152.04678	1.8
153.05455	3.0
157.06482	6.2
158.07172	1.1
159.08069	2.1
161.05965	9.1
161.09599	3.2
163.07567	7.2
165.09111	2.5
166.06206	3.1
167.07031	32.8
167.08406	1.4
169.06445	1.3
174.06755	8.6
175.07524	4.4
177.09096	4.8
179.08429	1.3
180.08623	1.6
181.08575	33.8
182.09030	0.9
186.06825	1.1
189.09096	33.5
191.06958	1.6
191.08598	1.3
193.06459	1.1
193.08559	1.6
195.07939	2.3
197.09496	1.7
201.09053	2.6
207.08298	1.4
207.10170	4.2
210.06795	1.4
219.08209	1.4
219.10129	22.5
221.09630	1.4
223.07561	2.0
223.11148	1.9
224.08224	1.5
225.09074	4.6
227.06865	1.4
229.12190	1.4
237.09019	1.8
240.07890	1.3
241.23708	1.0
247.07584	0.9
251.10646	2.4
253.08560	4.4
255.10117	1.3
257.11722	7.5
265.08395	1.5
269.08148	1.2
270.08801	1.3
283.09604	2.9
283.13220	4.2
285.11227	7.0
296.10519	1.1
299.12793	1.8
302.11276	1.2
305.13858	1.3
311.12784	2.5
315.12183	6.1
317.13745	12.3
329.14023	1.1
331.15182	4.0
343.15369	24.6
361.16422	100.0
362.16675	4.2
373.16516	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95202	1.5
53.03943	5.3
55.01866	3.2
55.05512	8.4
57.03432	4.0
61.61219	1.4
67.05497	20.9
68.03943	1.6
69.03421	11.8
69.07057	11.5
71.04987	5.1
79.05479	13.0
81.03410	31.6
81.06566	3.8
81.07050	79.1
83.04968	5.6
83.08604	6.7
85.02892	6.3
85.06534	3.4
91.05467	24.9
93.07037	16.1
95.04942	3.4
95.08595	14.8
97.02879	9.6
97.06512	7.4
98.22773	1.8
99.04453	4.8
99.08064	4.1
105.07014	38.9
107.08588	12.8
109.02870	16.6
109.06507	5.3
109.10137	2.3
110.05112	1.4
111.04421	2.2
113.06033	2.1
119.08566	32.3
121.10134	25.5
123.08047	4.0
123.11697	29.9
127.03899	29.3
127.07556	2.4
129.06972	1.9
131.04990	2.0
131.08592	2.0
133.10115	5.8
135.04439	2.6
137.09641	2.5
137.13232	2.4
143.08464	2.0
145.04961	2.6
145.10103	1.7
147.11670	100.0
153.01833	5.4
157.10181	4.2
165.12744	55.8
167.07010	2.0
175.11176	6.6
183.13759	13.7
193.12216	16.4
211.13339	9.1
229.14322	83.7
273.14651	1.8
301.14307	4.3
309.16876	2.2
319.15268	9.6
337.16379	36.5
355.17456	36.8
373.18533	6.7
570.29565	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	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23893	1.9
59.62238	2.0
63.87528	2.0
71.42470	2.2
75.61911	2.3
79.05488	3.5
85.02895	4.2
91.05480	7.8
91.09132	2.0
93.07034	3.5
95.04975	2.9
103.05493	5.0
105.07048	12.3
107.04961	7.7
113.59299	2.2
115.05470	2.6
117.07045	3.2
121.06499	6.6
123.04446	2.5
129.06979	5.2
131.04880	2.5
131.08522	2.6
133.06494	6.3
137.05975	10.3
145.06436	3.1
147.04417	3.4
151.03888	5.2
151.07607	10.9
151.08684	2.6
153.01808	3.2
153.05505	2.8
157.06511	5.9
161.05972	16.5
162.06589	2.3
163.07500	7.7
165.09108	2.6
167.07024	31.4
174.06721	3.1
175.07576	6.4
177.09103	100.0
181.08612	26.5
183.13901	2.6
189.09106	20.7
193.08580	44.7
195.10107	3.5
203.10764	2.5
207.10269	2.7
211.07475	3.0
219.08022	2.8
221.11667	12.5
223.07571	4.9
225.09109	7.2
253.08670	3.3
257.11768	4.7
263.07004	2.7
279.10043	3.2
283.09683	4.6
283.13400	4.2
285.11182	9.8
309.11142	2.9
311.12772	3.7
315.12213	5.3
317.13754	9.9
334.23566	2.5
343.15344	18.3
361.16406	84.8
362.16971	2.9
373.16434	4.7
391.94479	2.9
445.95395	2.5
570.23535	3.9
570.32330	10.2
571.26666	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	570.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.4
55.01873	6.3
55.05508	8.9
57.03429	8.8
57.07092	2.2
59.05001	2.6
61.02926	2.6
62.48206	1.7
67.05496	22.4
69.03427	29.8
69.07053	12.4
69.35387	7.0
69.35798	3.9
71.04992	4.2
73.02912	3.1
79.05485	11.2
81.03413	27.1
81.07052	66.8
83.04981	6.0
83.08614	5.6
85.02897	34.9
85.06498	4.1
91.05471	21.6
91.87881	2.0
93.07034	11.4
95.04953	4.9
95.08606	14.2
97.02899	16.0
97.06541	7.4
99.04453	7.6
99.08107	3.4
101.02409	2.8
101.78907	2.2
105.07027	33.0
107.04980	2.2
107.08572	15.5
109.02869	19.5
109.06487	4.4
109.10131	3.6
113.05968	2.3
119.08569	31.1
121.10143	28.3
123.08090	6.8
123.11697	35.3
127.03902	44.2
127.07578	5.9
133.10141	5.4
137.05925	2.8
137.13243	3.8
141.09106	3.1
145.04947	7.2
147.11678	99.3
150.34232	1.9
153.01817	3.8
157.10109	3.5
163.07501	2.4
165.12744	51.5
167.07060	4.9
175.11180	4.9
180.08678	3.0
183.13785	12.6
193.12206	10.8
211.13309	7.8
229.14319	100.0
273.15018	2.5
301.14203	4.2
319.15399	12.7
337.16425	71.3
355.13348	4.2
355.17468	50.7
373.18619	28.2
570.23474	2.5
571.27429	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	570.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.1
57.07072	55.7
57.30303	0.9
65.44747	0.8
67.05504	4.7
69.07065	10.7
69.56637	3.3
71.08625	45.3
73.06547	4.8
76.75177	0.8
79.05490	4.0
79.84956	0.8
81.07054	4.4
82.22242	0.8
83.08595	4.0
85.10175	28.4
87.04465	5.1
89.06023	100.0
91.05481	2.0
93.07039	3.4
95.04974	1.5
95.08614	2.5
97.10162	3.7
99.11710	7.5
105.07031	2.4
107.04942	1.1
107.07082	2.0
107.08588	2.0
109.10187	1.6
111.11716	3.1
113.13280	6.1
117.07097	0.9
117.09100	5.2
119.08531	1.3
125.09653	1.0
125.13248	2.2
125.89962	0.9
127.14840	3.3
129.07024	1.2
130.08621	1.4
131.07037	1.8
131.08527	1.2
133.08591	58.8
147.11621	1.5
160.11203	1.3
161.11780	1.2
171.11867	0.9
177.11209	24.0
177.12775	1.5
178.12218	1.0
183.21176	1.2
195.12202	1.2
221.13831	4.9
223.13222	1.2
227.23747	1.5
239.14990	1.5
271.26355	2.6
273.18524	1.2
283.17453	2.0
291.19485	3.1
315.28903	3.5
327.19971	2.5
337.33740	0.9
371.22858	8.5
441.14105	0.9
553.43060	9.1
570.45715	2.1
571.36127	7.1
598.50031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
52.26168	0.2
53.03938	0.5
55.01870	0.4
57.03425	1.5
69.03416	2.8
75.04461	0.7
79.01848	3.2
79.05507	0.5
81.03411	4.6
85.02902	4.5
91.05474	0.4
94.04185	0.3
95.04961	0.5
97.02888	3.7
98.23070	0.3
99.04463	0.6
103.05466	0.4
103.78325	0.2
105.07024	5.1
107.01304	1.9
107.04942	0.6
109.02176	0.4
109.02868	4.6
109.06557	0.2
115.05462	0.3
117.13560	0.2
122.03633	0.5
125.02345	3.4
126.96648	0.2
127.03908	7.3
133.06480	12.7
134.06862	0.3
135.00732	0.3
135.08057	0.2
137.05968	22.8
138.06265	0.3
143.03384	4.9
145.04927	0.5
151.07532	0.7
153.01814	100.0
153.02853	4.2
154.02155	1.5
161.06000	0.4
163.07515	1.0
165.09096	7.6
166.09511	0.4
171.02873	9.4
172.03204	0.3
175.07542	0.8
177.09116	0.4
181.08611	0.5
183.08498	0.3
183.10155	6.0
189.09074	0.3
203.10670	0.3
207.10175	0.3
221.11696	0.9
227.05502	4.2
239.12767	0.9
257.13812	8.1
279.05060	0.6
297.06030	3.0
315.07062	9.7
347.14795	0.3
391.94794	0.3
392.94934	0.6
527.15076	0.9
571.14014	2.3
571.22418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2017
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
51.66403	0.3
53.03928	0.6
55.01854	0.4
55.32153	0.3
57.03423	1.2
66.04723	0.3
69.03407	2.7
70.18007	0.5
70.18332	0.7
75.04448	0.5
79.01839	2.8
79.05476	0.8
81.03407	5.6
81.59831	0.3
85.02901	3.7
91.05448	0.5
94.96620	0.4
95.04959	0.6
97.02883	3.9
99.04472	0.7
105.07022	5.4
107.01307	2.5
107.04932	1.0
108.23321	0.3
109.02860	4.5
116.26294	0.3
122.03637	0.5
123.04401	0.5
125.02334	4.1
127.03899	7.4
127.04842	0.4
133.06473	13.1
136.07593	0.4
137.05959	23.5
138.06297	0.4
143.03380	4.3
145.04916	0.4
147.08005	0.3
149.05959	0.4
153.01808	100.0
154.02130	1.4
163.07549	0.9
165.09094	8.4
167.84865	0.4
171.02869	9.8
175.07530	1.3
181.08594	0.6
183.10118	6.8
189.08925	0.4
221.11728	1.0
227.05441	5.0
239.12740	0.9
257.13803	9.5
279.05020	0.7
297.06006	3.6
315.07047	11.5
435.58307	0.5
571.28271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28432	0.8
52.02431	0.7
55.01881	1.3
57.03461	1.0
69.03423	0.9
69.58306	3.3
79.05471	2.0
85.02885	3.4
91.05460	9.2
91.66925	0.8
93.03399	0.9
93.07013	0.9
94.04153	1.2
95.04983	1.8
97.02937	1.8
102.04710	1.0
102.48904	0.7
103.05460	4.9
105.07024	6.7
106.04192	1.0
107.04940	4.2
109.06520	1.4
115.05418	2.0
119.04949	9.0
121.06517	8.1
122.03612	2.6
125.05978	1.1
127.03896	1.1
130.04120	2.6
131.04932	7.9
133.02843	2.7
133.06491	5.8
133.07338	1.0
135.04390	2.2
135.08009	1.1
137.05966	57.3
145.04971	1.4
147.04399	10.9
149.05971	22.7
150.06705	1.4
151.07506	2.8
153.01823	3.8
153.05449	3.5
161.05965	100.0
162.06764	11.3
163.07558	6.1
165.05560	1.2
165.06966	1.7
174.06740	1.4
175.07533	12.8
177.05414	1.4
179.07063	5.8
179.08488	1.3
187.07463	1.3
188.04684	1.9
191.07018	3.0
193.06450	3.9
193.08423	1.0
194.07274	1.5
195.06546	6.4
195.08072	1.5
203.07014	66.3
204.07269	1.2
205.08588	3.1
207.08080	1.3
209.08038	1.3
210.06725	2.9
212.84291	0.9
215.07123	1.4
221.05940	7.5
221.08029	43.6
222.06580	1.7
224.08237	1.9
225.09067	8.9
233.06078	0.9
233.08066	16.6
235.07430	1.6
237.09059	2.6
238.06264	2.5
239.10713	1.2
249.09023	1.9
251.07121	1.2
252.07706	1.4
253.08554	20.5
254.09071	1.6
265.08591	5.7
266.09354	0.9
267.10104	8.1
270.08881	2.7
277.08594	3.3
285.11197	63.9
286.11392	1.4
292.07422	1.2
294.08691	2.2
295.09656	2.4
297.11176	13.4
307.09631	2.1
309.11047	6.7
310.50885	0.9
311.12592	1.0
317.41446	0.8
325.10638	9.0
327.12241	84.3
328.12512	3.0
339.12177	7.1
345.13315	47.2
346.13593	1.5
357.13309	9.4
526.00726	0.9
563.63129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52636	9.6
56.05875	10.0
57.20573	9.6
87.77319	10.7
103.05444	10.8
105.07050	12.2
117.03393	25.8
131.04945	22.4
145.02788	59.4
146.09192	11.8
149.06013	9.6
151.93681	13.3
177.05464	100.0
226.64319	10.3
273.84470	11.6
278.11722	13.2
350.24002	10.0
403.13782	12.4
467.37665	11.1
572.31482	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	572.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65223	13.7
51.17849	13.8
51.40710	14.2
65.85199	15.7
66.69714	15.1
70.57881	29.3
70.93629	14.6
73.17366	16.2
89.65546	15.2
91.05515	14.7
103.05469	18.8
114.05025	16.8
121.26362	15.8
131.04927	36.1
137.05962	48.0
139.92221	16.6
151.07553	25.1
161.05904	30.8
163.07597	15.7
167.07036	20.1
239.10503	16.3
253.08672	16.6
254.69472	16.3
271.66238	15.3
281.07947	22.3
305.86752	14.8
313.10684	35.1
345.13284	100.0
512.41077	17.8
572.21844	29.0
572.30750	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.58624	0.5
65.03926	0.5
67.14013	0.4
70.13239	0.4
74.71214	0.4
79.05474	1.5
84.75819	0.4
85.02887	0.7
85.38792	0.4
91.05471	1.4
93.07007	0.6
95.04967	0.7
97.02892	1.6
103.05461	1.0
105.07018	8.2
107.04923	0.8
109.02854	0.5
115.05456	1.8
117.07008	1.9
119.04973	0.8
121.06469	1.1
123.04485	0.9
123.08042	0.8
124.07594	0.6
131.08508	0.4
132.05669	0.6
133.06477	8.8
135.08025	0.8
136.07547	1.6
137.02287	0.5
137.05957	0.9
138.09125	1.0
139.09479	0.5
143.06003	0.9
143.08545	0.6
145.06442	0.9
151.07533	7.8
153.01828	1.7
160.05176	0.5
161.05983	7.8
161.09494	0.5
162.06732	2.2
163.07466	0.7
164.07068	2.1
165.07355	1.2
167.07027	10.3
171.08000	1.2
175.07539	1.5
177.09094	100.0
178.06244	0.6
178.09363	2.1
181.08543	0.6
192.41205	0.4
193.08589	55.4
194.08868	1.1
195.10143	5.4
203.06989	0.4
203.10611	1.9
221.11702	24.8
222.12054	0.6
272.18015	0.5
290.15665	0.5
375.17847	1.4
483.72906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33891	1.3
52.63152	1.4
53.03933	3.2
54.79605	1.5
55.01859	8.7
55.05513	3.6
57.07070	6.2
63.24959	1.4
63.32711	1.6
67.05494	8.4
69.03413	10.7
69.07063	10.1
70.02940	6.2
71.04974	2.7
72.04512	24.7
73.02910	15.4
74.02438	2.4
79.05479	4.0
81.03412	17.9
81.07053	3.5
83.04980	6.5
85.02903	10.6
85.06534	5.8
86.09698	4.2
87.08111	2.8
90.05546	41.4
91.05473	9.2
93.07037	4.1
95.04956	11.1
95.08568	2.0
96.08144	2.7
97.02872	12.2
98.02396	20.3
99.04453	6.6
100.03966	6.8
103.03954	2.2
103.07568	3.8
105.07026	9.7
107.08584	14.6
109.02872	24.6
109.06519	3.8
109.10156	8.4
113.05987	6.7
115.03894	1.7
115.05433	1.6
116.03443	21.1
117.06939	1.9
119.08553	3.9
120.64115	1.5
121.06491	2.1
121.10098	10.1
122.07278	8.6
124.07580	24.0
127.03905	20.0
131.07069	1.4
131.08583	3.1
132.06549	8.1
132.10208	1.8
133.10114	91.4
134.10469	1.8
135.08017	13.2
137.05998	1.6
137.09601	64.2
138.05487	2.9
142.08615	19.9
145.04948	6.6
145.10075	1.9
148.09753	2.0
149.13226	6.0
158.10977	2.2
160.09677	7.3
163.23146	1.4
166.08640	4.3
172.09720	4.9
173.13235	4.3
174.11253	6.3
175.45056	1.6
181.04942	2.6
184.09666	37.3
184.11247	3.1
187.05983	3.2
191.14349	11.2
198.07610	6.0
199.05988	7.8
202.10721	100.0
203.11305	3.1
205.07007	2.5
211.09608	8.1
213.92223	1.4
216.08589	7.3
217.06972	7.2
220.11765	26.8
230.10251	11.3
234.09691	20.7
244.11810	2.4
252.10866	1.7
262.12808	19.6
271.38718	1.6
304.13992	1.7
310.12741	9.5
328.13864	80.3
329.14240	2.4
346.14899	25.1
364.15970	83.9
365.16547	2.4
382.16913	5.8
442.24332	18.8
536.28644	1.8
554.29657	14.4
556.01221	1.7
572.27411	4.9
573.28284	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	573.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
59.04998	14.4
59.35390	0.4
64.05436	0.4
69.03416	1.7
69.28198	0.7
69.28593	1.9
70.84075	0.4
71.04986	0.8
81.03416	1.7
85.02895	1.0
91.05468	0.8
91.50496	0.4
96.04488	1.3
97.02903	0.7
101.06002	3.4
109.02864	0.9
111.92026	0.4
113.90787	0.5
114.05521	18.0
115.03947	0.8
127.03910	0.7
129.05475	19.0
136.42155	0.5
137.06004	0.6
147.04410	0.9
147.06526	1.9
153.01810	7.3
153.02977	0.3
155.20473	0.4
199.75487	0.4
263.19852	1.1
266.06583	19.8
267.07043	0.6
273.09637	0.6
275.07251	0.8
286.59384	0.4
301.17889	0.6
301.25757	0.4
331.64526	0.4
333.07895	27.6
334.08472	0.7
335.05408	1.0
335.09454	17.9
336.09619	0.4
411.29099	2.1
556.15961	0.6
573.28760	100.0
574.29102	5.3
575.23584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3032
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05506	4.3
57.03443	5.0
57.07074	24.6
65.72702	1.1
67.05505	7.9
69.07064	5.6
71.08266	1.6
71.08631	19.1
79.05486	3.0
81.03395	4.6
81.07046	9.6
83.08615	5.8
85.10177	9.5
91.05492	1.3
93.07029	2.2
93.81532	0.9
95.08601	13.9
96.08851	0.9
97.10167	2.8
98.98457	31.3
99.04440	1.2
103.92606	0.9
105.07061	1.5
109.02872	3.3
109.10164	5.2
123.11691	1.9
140.01085	1.0
155.01033	25.0
173.02185	1.7
239.23697	4.8
256.26382	2.6
261.03711	2.0
313.27328	100.0
314.27722	3.5
317.06363	2.5
335.07245	3.0
393.24048	3.7
401.28760	3.6
442.59851	1.1
515.31708	1.2
537.28314	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.8
51.02384	1.0
52.57875	0.6
53.03943	4.0
55.01867	14.0
55.05505	33.5
57.03426	6.1
57.07069	1.6
59.04989	3.4
65.03944	2.5
66.82878	0.7
67.05495	39.1
69.03419	10.0
69.07056	25.1
71.01340	0.7
71.04172	0.7
71.04991	5.0
71.08621	1.0
79.05482	38.9
81.03403	15.5
81.03881	0.7
81.06559	1.7
81.07043	38.0
83.01331	4.0
83.04970	12.9
83.08607	12.7
85.02897	3.1
85.06534	2.2
91.05471	36.1
93.07030	40.3
95.04959	19.0
95.08598	18.6
97.02884	12.5
97.06514	8.3
97.10152	11.1
99.04455	2.1
103.05450	1.5
105.04507	2.2
105.07019	25.1
107.04940	14.3
107.08576	23.5
109.06507	8.6
109.10139	9.5
111.04426	3.1
111.08083	2.8
113.06022	0.8
115.05425	3.7
117.06998	14.3
119.08562	19.7
121.06480	6.5
121.10122	9.3
123.04370	1.1
123.08052	9.0
123.11703	1.6
125.05975	1.6
125.09595	7.1
128.06197	3.1
129.06984	8.3
130.07747	3.0
131.04941	1.1
131.08540	16.4
133.06494	4.3
133.10112	7.8
134.07271	1.0
135.08011	6.4
135.11670	10.4
137.09566	3.8
139.07605	0.8
139.11234	0.7
141.06960	1.8
141.09070	1.0
142.07759	1.1
143.08539	9.8
145.06468	2.3
145.08963	1.3
145.10107	20.7
147.08018	8.0
147.11682	4.9
148.08835	0.8
149.09555	4.0
149.13261	2.6
151.11169	0.9
153.09026	1.1
153.12726	3.7
155.08540	2.8
157.10130	6.1
159.08012	1.7
159.11667	4.7
161.09599	4.0
161.13242	1.8
162.10339	1.0
163.07600	0.9
163.11156	17.9
165.09076	2.2
167.08585	0.9
169.10126	2.5
169.12212	1.2
171.10307	0.8
171.11647	3.6
173.09647	4.2
173.11783	1.3
173.13237	0.8
175.11201	3.5
177.12704	1.9
179.10675	0.9
181.10016	1.1
181.12196	3.1
183.11632	1.3
184.68095	0.7
185.13228	2.0
187.11130	1.6
189.11143	2.7
189.12718	1.5
190.04109	0.8
191.10635	1.6
193.12248	1.8
195.11665	2.6
195.13699	1.4
197.78424	0.8
199.11198	1.6
205.12231	2.3
207.13722	1.2
209.11624	3.6
223.13254	18.4
227.12656	4.6
227.17844	1.2
233.15291	0.8
237.16490	1.4
245.18974	2.1
249.14789	1.7
255.17361	3.0
263.16412	0.8
263.19980	0.9
267.15924	1.2
271.16821	2.4
273.18488	18.3
275.20078	3.9
281.17374	1.4
283.15359	7.4
289.17996	1.6
291.19501	100.0
292.19888	3.1
311.14960	0.7
313.17923	0.8
329.20938	0.9
347.22110	2.0
363.21414	1.1
365.23248	1.4
373.41882	0.8
447.71423	0.8
527.29755	1.2
541.34662	1.9
555.33075	3.9
573.34015	68.6
574.33856	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	573.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03938	7.6
55.01873	20.1
55.05510	33.3
57.03191	2.0
57.03422	10.5
57.07071	8.6
65.03944	6.2
67.05503	82.3
69.03430	3.8
69.07058	30.1
69.18729	5.2
69.19146	4.5
71.04984	4.4
71.08629	5.7
77.03951	4.1
78.79625	1.5
79.05489	97.0
81.03415	11.5
81.07054	100.0
82.07357	1.8
83.04975	16.8
83.08618	19.0
85.06532	4.3
85.10184	1.4
87.04459	1.6
91.05476	93.6
93.07041	86.8
95.04966	32.1
95.08601	49.5
97.06525	28.7
97.10175	7.0
98.98464	5.5
99.08083	2.6
103.05480	2.8
105.04524	7.3
105.07029	72.4
107.04945	22.8
107.08592	35.1
109.06512	15.9
109.10140	16.3
111.08078	6.3
115.05454	3.7
117.07013	22.8
119.08568	47.5
121.06525	7.9
121.10142	19.1
123.08042	8.0
123.11712	5.4
125.09644	4.1
127.07500	1.9
128.06252	3.7
129.07001	17.0
130.07816	1.8
131.08559	21.2
133.10120	28.9
133.11021	2.4
135.08035	9.0
135.11679	8.4
137.09622	5.3
141.06995	3.5
142.07770	2.5
143.08568	13.7
145.10114	26.2
147.08055	4.2
147.11673	45.6
149.09596	19.5
149.13263	5.1
151.11186	4.1
155.01016	5.8
155.08583	4.4
157.10139	5.6
159.11679	11.1
161.09619	5.4
161.13232	13.7
163.11169	11.7
165.12794	4.0
169.10139	4.0
171.11673	26.4
173.09592	1.9
173.13237	8.2
175.11230	3.6
177.12781	2.9
179.14290	3.8
181.10152	2.1
183.11693	4.1
185.13319	2.9
187.11282	1.9
187.14851	2.4
189.12686	9.1
197.13213	3.3
199.14850	1.7
201.12715	1.6
207.13780	16.0
225.14766	1.6
227.12759	2.6
229.19533	6.2
233.15480	1.9
239.18010	3.6
247.20534	4.5
257.18988	14.1
267.15887	7.0
271.20273	1.6
273.18491	1.4
275.20044	73.0
276.20279	2.6
279.15811	2.3
281.17477	40.1
291.19476	2.2
293.21219	5.0
313.27350	17.0
331.22516	1.7
340.12244	1.4
349.23737	26.7
350.40604	1.6
475.30530	8.2
491.30084	1.9
555.36713	25.9
573.37976	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	573.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.9
51.02370	1.2
53.03943	6.0
55.01867	62.3
55.05505	31.0
55.05778	1.3
56.05840	0.7
57.03430	7.6
57.07069	3.4
59.05008	1.5
59.70845	0.8
65.03941	3.6
65.24895	1.0
67.05497	66.2
69.03427	5.2
69.07060	37.7
69.08699	3.9
71.04983	4.7
71.08626	2.9
73.06554	0.9
77.03931	1.5
79.05485	72.8
81.03413	13.8
81.07049	59.3
83.01321	1.3
83.04980	15.3
83.08604	10.1
85.06541	2.8
87.04476	0.9
88.52614	0.8
91.05470	73.0
93.07035	61.3
95.01328	6.0
95.04343	0.9
95.04457	0.5
95.04958	28.5
95.08597	37.9
97.02888	3.8
97.06520	91.0
97.10151	6.9
98.06875	1.2
98.98449	1.7
99.08092	2.9
103.05484	2.1
104.06243	0.8
105.03888	0.7
105.04514	4.4
105.07018	69.8
107.04941	26.4
107.08578	24.3
109.06510	8.4
109.10140	10.8
111.04432	2.1
111.08091	3.5
113.09618	1.8
114.24163	0.8
115.05460	2.5
116.06224	1.0
117.07014	19.9
117.92860	0.8
119.08569	39.0
120.49458	0.7
121.06490	6.0
121.10126	10.3
123.04457	1.1
123.08055	5.7
123.11713	2.2
125.09650	5.3
127.07574	1.2
128.06218	2.6
129.06985	12.4
130.07785	1.3
131.08557	17.6
133.06496	2.1
133.10114	29.6
135.08058	5.9
135.11676	11.4
137.09625	4.8
139.07552	3.6
141.06984	2.7
141.09126	1.7
141.60493	0.7
142.07787	1.1
143.08540	8.7
145.06479	2.4
145.10115	19.2
145.11212	1.4
146.44966	0.8
147.08014	4.2
147.11667	29.5
149.09593	17.3
149.13260	3.6
151.11174	2.6
155.01031	1.6
155.06035	1.0
155.08572	2.6
157.10143	3.7
159.08044	1.2
159.11678	13.5
159.12926	1.0
161.09680	4.3
161.13237	11.9
163.11168	15.0
163.12445	1.3
165.09117	3.8
165.12796	1.0
169.10162	2.5
171.10196	1.6
171.11646	15.7
171.13013	1.2
173.11868	1.3
173.13293	5.3
175.11154	1.5
175.14856	1.0
177.12680	3.8
179.14284	14.6
181.12184	0.9
183.11694	2.2
185.13266	1.5
187.11137	4.6
187.14703	1.7
189.11209	1.8
189.12715	8.5
191.10672	1.1
197.13255	2.3
201.12747	1.3
205.12230	2.8
207.13782	12.8
209.11623	0.9
215.17986	1.3
223.13248	6.4
227.12744	1.3
229.19565	3.4
233.15335	1.4
233.19075	0.9
239.18005	2.9
241.14360	1.4
247.20543	3.6
257.18933	8.6
263.16388	0.8
273.18521	3.2
275.20032	100.0
276.20422	3.2
279.16019	3.2
281.17447	38.4
282.17825	1.3
291.19516	27.9
293.21069	10.5
306.92371	0.9
313.27319	6.0
347.22202	1.0
349.23682	26.0
350.24020	1.7
377.23203	1.9
383.24222	1.1
384.24826	1.0
555.36761	45.0
556.36951	3.1
573.33948	17.6
574.34167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.7
51.43657	1.2
53.03936	6.4
55.01868	23.8
55.05505	40.1
57.03429	12.4
57.07067	3.6
59.05016	1.7
64.37220	1.2
65.03929	5.8
67.05498	87.7
69.03423	4.5
69.07059	28.2
71.04999	5.6
71.08610	1.3
73.06551	2.5
77.03919	3.0
77.38258	1.3
79.05483	97.7
80.42200	1.2
81.03417	16.5
81.07048	100.0
83.04975	18.5
83.08612	15.5
85.06547	5.3
91.04877	2.3
91.04996	1.4
91.05469	83.5
93.07032	85.9
95.04961	38.6
95.08595	48.1
97.06514	25.1
97.10155	9.4
99.08099	2.6
103.05502	3.7
104.06208	1.5
105.04533	6.2
105.07017	77.3
107.04940	24.6
107.08578	38.4
109.06504	21.6
109.10152	17.5
111.04436	2.0
111.08086	3.9
113.06001	3.2
113.09596	1.6
115.05452	5.1
117.07003	20.9
119.08568	47.7
121.06490	8.3
121.10139	20.7
123.04394	1.1
123.08066	11.6
123.11694	6.3
125.09615	6.4
127.07563	2.2
128.06203	4.0
129.06990	19.1
130.07790	3.6
131.08549	21.8
133.06487	3.7
133.10114	31.5
135.08028	9.9
135.11682	10.6
137.09630	5.6
141.06958	2.3
143.08560	10.5
145.06494	2.9
145.10101	28.5
145.11209	1.9
147.08034	3.4
147.11659	40.8
149.09610	18.2
149.13283	4.5
151.11182	4.2
153.09088	1.4
153.12598	1.3
155.08521	2.7
157.10132	7.0
159.08073	3.0
159.11664	11.8
161.09592	7.6
161.13249	16.4
163.11162	13.3
163.14719	1.5
165.09138	1.6
165.12761	4.2
167.08572	1.2
169.10124	4.3
169.73889	1.3
171.10187	1.6
171.11664	24.9
173.09685	1.4
173.13239	6.9
175.11214	2.7
175.14856	1.5
177.12738	4.4
179.10788	1.7
179.14322	2.8
181.10107	1.6
181.12248	1.8
183.11696	3.5
185.13261	2.2
187.11214	2.1
187.14767	1.7
189.11266	1.7
189.12775	9.7
191.10666	1.8
191.14320	1.7
193.12201	2.6
197.13307	2.8
199.11223	2.2
201.12726	1.7
207.11914	1.6
207.13759	20.7
209.13333	1.7
217.15662	1.3
225.14761	2.7
227.12758	9.4
229.19409	3.0
233.15385	1.8
235.16911	1.4
239.17970	3.7
240.22644	1.5
247.20567	6.1
253.14413	1.8
257.18951	8.8
262.76373	1.4
263.34927	1.2
267.15927	4.4
273.18536	7.1
275.20032	70.5
276.20215	1.6
276.47644	1.4
281.17429	39.0
281.20447	2.1
283.15427	2.7
291.19449	13.4
293.21091	4.7
331.22684	1.6
346.46292	1.3
347.22144	2.0
349.23700	29.6
377.23230	1.4
459.30896	2.6
475.30472	7.2
537.35999	1.4
555.36768	25.0
556.37164	2.1
573.38226	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	573.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.0
51.02366	2.2
53.03941	4.2
53.54046	0.7
53.60813	0.8
55.01871	52.8
55.05508	27.0
57.03435	6.8
57.07062	3.2
59.04990	1.8
65.03926	4.2
66.60294	0.7
67.05502	59.1
68.05809	0.8
69.03432	5.1
69.07065	39.4
71.04977	3.5
71.08614	1.5
73.06547	1.6
77.03907	2.5
79.05489	66.9
81.03413	12.5
81.07052	59.3
82.07359	1.0
83.01330	1.1
83.04977	16.2
83.08611	11.9
85.02895	1.6
85.06537	2.8
91.05476	68.6
93.07040	55.3
93.07517	0.8
95.01311	4.6
95.04966	26.1
95.08602	35.5
95.09211	1.8
97.02875	3.6
97.06526	85.2
97.10164	5.6
98.06878	1.2
98.98459	1.9
99.08068	1.4
103.05438	3.3
105.04536	5.0
105.07024	66.2
107.04253	1.7
107.04946	26.1
107.08584	22.0
109.06509	7.5
109.10153	10.5
111.04421	1.4
111.08070	3.6
113.09660	1.6
115.05444	2.8
116.06237	0.8
117.07011	17.4
119.08575	33.6
121.06496	6.2
121.10142	9.7
122.03570	0.7
123.04412	2.2
123.08082	6.6
123.11668	2.1
125.09627	4.8
127.07533	1.3
128.06236	2.6
129.06989	13.9
130.07759	1.5
131.04919	0.7
131.08554	19.6
132.05675	0.7
133.06476	3.1
133.10118	25.5
135.08073	4.8
135.11681	10.3
137.09612	4.6
139.07535	3.9
141.06963	1.7
142.07733	1.1
143.08562	7.4
145.06447	2.3
145.10117	17.4
147.08060	4.5
147.11674	28.1
149.09604	19.1
149.13261	3.3
151.11182	3.5
153.09000	1.1
155.01018	1.4
155.08530	2.2
157.10081	2.0
159.08020	1.7
159.11693	11.6
161.09665	3.9
161.13249	11.2
163.11183	14.0
165.09114	3.7
165.12747	0.9
169.10109	2.8
171.10205	0.9
171.11668	15.8
173.09563	1.1
173.13240	5.2
175.11183	1.8
177.12714	4.6
179.14302	12.8
183.11671	2.7
185.13214	1.0
187.11171	3.2
187.14761	1.5
189.11275	1.3
189.12735	5.6
195.13881	1.1
197.13251	1.6
201.12758	1.3
205.12273	1.9
205.15871	0.9
207.13789	13.9
209.11670	1.0
215.14346	1.1
215.17955	1.3
219.17557	1.5
223.13245	4.6
225.14775	0.9
227.12816	1.4
229.19490	2.8
231.17383	0.8
233.15350	1.4
239.17897	2.8
241.14447	1.0
247.20560	3.1
257.18936	7.6
259.20654	1.4
263.16165	1.2
273.18439	4.1
275.20047	100.0
276.20386	2.1
279.15866	4.7
281.17441	35.9
291.19522	25.0
293.21069	10.3
313.27319	4.1
346.03738	0.8
349.23718	24.3
350.23914	1.3
377.23111	1.1
384.24667	1.7
422.56708	0.9
459.30640	1.3
537.35492	0.9
555.36761	46.1
556.36938	2.1
573.33734	14.1
574.34125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
55.01865	45.6
55.05297	1.9
55.05511	21.4
57.03419	6.2
57.07061	7.3
65.03922	4.0
65.75689	1.8
67.05499	60.0
69.03436	3.2
69.07062	32.8
71.08617	3.8
71.33894	1.8
79.05485	53.3
81.03418	10.6
81.07047	56.4
83.04993	14.6
83.08611	11.0
89.06001	2.3
91.05474	61.9
93.07036	52.4
95.01301	5.2
95.04960	26.0
95.08600	37.4
97.06522	79.0
97.10136	4.2
105.04525	4.4
105.07021	65.6
106.07352	2.3
107.04944	22.1
107.08579	23.5
107.56401	1.6
109.06498	6.1
109.10169	10.9
111.08138	2.3
117.07014	18.2
119.08574	38.7
121.06511	6.0
121.10145	11.5
123.04466	2.9
123.08050	8.2
123.11728	3.1
125.09629	4.2
128.06210	2.3
129.06989	11.8
131.08571	19.0
133.06516	2.7
133.10124	30.4
135.08005	2.8
135.11671	7.7
139.07530	3.5
143.08485	6.3
145.06477	2.1
145.10086	18.1
147.08080	2.6
147.11678	32.8
149.09605	18.8
149.13252	4.6
151.11186	5.2
157.10146	2.0
159.11676	10.9
161.09641	2.4
161.13251	11.6
163.11159	13.2
169.10181	2.2
171.11647	13.9
173.13258	4.1
177.12741	2.9
179.14316	11.4
183.11713	2.5
187.11209	3.6
187.14897	3.2
189.12709	6.6
194.66597	1.8
207.13786	7.9
211.14877	1.8
229.19484	3.7
239.17986	3.7
247.20570	4.2
257.18909	7.8
275.20050	100.0
276.20438	2.4
279.15805	2.4
281.17422	41.3
293.21091	7.9
349.23764	22.5
377.23187	3.0
454.17026	2.1
514.29889	2.1
540.45581	2.3
555.36664	55.5
573.48663	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	574.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29672	3.6
67.84843	2.8
69.03445	3.8
70.06600	3.9
85.02891	4.3
90.25212	3.2
91.05470	12.9
103.05460	3.3
105.07048	3.3
119.04938	25.1
121.06484	3.7
127.54771	3.3
131.04942	6.6
137.05962	100.0
147.04410	12.0
149.05991	9.5
151.07530	27.2
153.01816	16.0
160.05302	3.3
161.05978	13.0
162.06717	4.1
163.07541	7.0
175.07591	10.5
179.07021	4.2
181.08568	55.3
205.04750	3.3
205.08478	5.1
251.10771	4.9
277.03473	7.8
279.10059	6.9
297.11224	3.7
299.12787	8.6
301.66165	3.6
329.13861	9.0
341.13843	5.2
359.14844	30.3
408.12787	3.2
530.18909	10.1
574.18158	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	574.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97546	7.0
61.45702	6.9
61.74398	7.4
66.25178	6.4
71.86115	7.2
81.07045	18.2
85.02959	7.8
91.05477	35.3
93.07042	12.3
95.04951	17.8
95.08601	11.7
96.90553	7.1
105.07001	9.5
106.29749	6.6
107.04964	6.8
107.08603	11.0
109.10178	16.9
110.08708	7.0
119.04916	17.2
119.08590	9.5
121.06416	9.0
121.08398	8.7
121.10134	9.0
123.08046	8.5
129.07013	9.2
131.08571	9.5
137.05981	87.4
139.68031	7.8
145.06654	7.7
145.10057	9.9
146.63141	8.3
147.04373	13.9
151.07558	18.1
153.01842	15.6
161.05965	91.9
161.09637	21.7
161.81503	8.4
163.07555	7.3
173.09671	8.7
175.07573	21.9
189.09068	50.7
199.14771	10.0
207.10162	100.0
219.08086	12.4
219.10132	24.1
221.06079	8.4
223.07449	8.5
225.09151	10.9
231.44113	7.3
251.07082	8.7
253.08652	9.9
265.08572	10.1
267.10031	9.7
270.08740	9.4
279.10074	8.5
283.09485	9.5
285.11121	11.8
297.11224	33.2
311.12802	18.4
315.12344	10.3
329.13907	23.3
331.15189	13.6
338.07932	7.5
355.15372	15.6
388.93582	7.9
395.29211	8.9
479.20789	12.3
574.28394	34.2
577.16296	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	574.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23417	2.8
64.55751	3.1
69.54022	2.8
70.67038	6.0
79.05488	4.0
79.92434	3.1
85.04014	2.8
91.05440	15.8
91.80055	2.9
92.78414	2.8
93.07069	4.3
97.26679	2.7
98.23026	6.4
103.05463	4.2
105.07027	5.8
107.04948	11.5
109.06518	4.4
115.05471	3.3
117.07018	3.7
119.04933	10.5
119.38089	2.7
121.00874	2.9
121.06496	8.0
122.03645	6.7
123.04343	3.6
125.06100	3.0
129.07001	6.7
131.04958	7.3
131.08617	6.0
133.06517	3.5
135.08115	3.4
137.05978	85.4
146.07187	3.3
147.04391	8.6
148.05212	3.0
149.06015	5.6
149.32271	2.9
151.03940	6.6
151.07536	38.7
153.01784	5.7
157.06508	4.8
161.05981	100.0
161.09613	26.1
162.06360	3.3
163.07529	11.2
168.65317	3.0
174.06812	6.0
175.07565	18.5
177.09097	6.0
189.09088	56.7
195.08076	10.2
195.10190	10.4
203.08633	3.5
205.06566	5.3
207.08279	4.4
207.10141	94.5
209.09666	3.6
211.07758	3.6
213.75591	3.0
219.08281	4.8
219.10141	22.1
221.05920	4.6
223.07477	4.9
225.09160	6.5
227.06979	3.5
227.10730	5.5
235.07605	3.0
237.09261	3.8
240.27444	2.7
247.07518	3.7
249.09081	5.5
250.06351	3.9
251.10655	3.9
253.08656	13.1
253.12178	4.3
255.10274	5.5
265.08521	14.6
266.09454	2.8
267.10202	5.2
279.10098	7.5
283.09500	4.9
285.11237	12.8
287.12762	7.4
297.11258	28.7
298.11804	4.2
299.12970	4.6
309.11185	6.8
310.11935	6.8
311.12769	13.0
313.14163	7.3
315.12234	5.2
322.12097	3.3
323.13058	3.4
324.78406	3.5
329.13809	21.4
331.15399	17.1
337.14197	7.4
341.13702	3.3
355.15558	15.4
367.15408	4.5
412.29901	3.7
461.19394	6.3
479.20578	14.1
543.71832	3.4
557.23859	6.9
574.28894	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	574.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96878	5.3
55.01870	19.8
56.23804	5.1
78.07943	6.0
91.05448	10.8
93.07028	7.2
98.22728	17.2
100.11241	7.0
103.05479	15.1
105.07042	6.5
107.04984	6.9
114.09143	6.6
119.04880	5.3
122.03647	5.4
125.05965	6.4
127.03803	5.2
131.04929	30.6
133.06442	10.0
137.05984	100.0
140.93610	5.6
144.01468	5.0
151.03877	10.3
152.43843	5.0
153.20724	5.1
161.05974	24.1
161.09669	11.2
163.07570	9.0
177.05504	6.5
189.01057	5.9
189.09163	9.6
193.06534	7.2
195.06558	32.9
207.10152	9.3
213.15564	5.2
245.12985	6.9
371.72122	5.6
382.21143	11.7
408.19235	9.1
412.22382	11.2
433.66208	5.9
438.20407	9.7
487.59219	6.3
557.23779	9.7
574.26849	9.6
575.18756	18.5
575.28357	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	574.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01868	12.5
55.05505	2.7
57.03424	2.6
57.07078	8.1
59.04998	2.9
65.52506	1.2
66.92104	1.3
67.05492	9.5
69.03425	12.7
69.07053	11.2
70.02948	6.9
71.02503	1.9
71.04987	2.5
72.04510	26.8
73.02909	12.8
79.05495	1.5
81.03407	19.6
81.07043	6.4
81.36180	1.4
83.04966	9.1
85.02914	10.4
85.06541	10.9
86.09685	4.5
87.08087	3.7
90.05545	49.8
93.07053	2.5
95.04946	9.9
95.08591	4.8
96.08140	2.6
97.02883	10.9
97.06561	1.5
98.02407	24.7
99.04433	8.0
99.08092	1.5
100.03949	7.4
103.03936	1.7
103.07593	2.9
105.07011	3.4
107.04943	1.7
107.08606	3.0
109.02863	30.2
109.10157	11.3
112.07594	2.0
113.06020	9.0
115.03946	1.5
115.95468	1.3
116.03439	23.4
119.08570	4.2
121.10117	2.6
122.09659	1.6
123.08079	2.3
123.11683	2.6
124.07589	26.2
127.03891	18.8
130.08618	1.6
132.06580	14.3
133.10152	1.7
135.11667	9.3
137.06006	2.0
137.09642	3.1
138.05496	2.7
142.08612	25.3
145.04945	11.7
145.10118	1.6
147.08066	1.9
153.03540	1.6
157.04945	1.4
158.04482	1.9
160.09688	8.3
161.05984	1.6
166.08626	4.8
170.08118	1.5
172.09674	4.7
174.11235	6.0
175.14771	3.1
176.09265	1.6
180.06488	1.7
184.09680	37.0
187.06093	2.6
193.15845	4.0
198.07602	6.1
199.05988	7.0
202.10718	100.0
203.11385	1.4
211.07901	1.4
211.09583	8.6
211.16907	4.3
216.08678	10.0
217.06970	7.8
220.11774	25.3
230.10187	11.9
234.09702	30.2
241.08452	1.5
244.11824	2.4
262.12799	18.2
271.10785	8.2
271.16904	3.4
285.18472	2.0
310.12839	10.0
328.13867	78.5
329.07422	1.5
329.14005	1.8
346.14838	19.1
364.16162	43.8
379.15176	2.2
395.29144	1.7
408.19113	16.4
413.30478	1.9
438.20084	9.5
444.25854	44.7
507.19519	1.4
545.27136	2.1
556.22736	2.8
556.31042	40.4
557.31140	2.1
574.26129	3.2
575.28485	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	574.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
55.05501	8.4
57.03433	5.8
67.05489	15.1
69.03416	11.6
69.07053	15.1
75.04482	10.1
79.05479	27.2
81.03394	15.0
81.07028	20.3
82.03748	2.9
83.04973	8.5
83.08617	5.5
85.02890	14.2
85.18852	3.1
91.05479	18.0
93.07036	100.0
95.04978	9.8
95.08587	23.5
97.02859	8.0
97.06489	3.4
103.05459	5.2
105.07012	24.9
107.08588	31.1
109.02870	5.0
109.10152	12.1
111.04454	3.6
111.08098	7.7
117.07011	3.6
119.08562	34.4
121.06483	5.4
121.10127	92.3
122.09653	4.5
125.05901	3.8
127.03906	8.6
131.04959	3.7
131.08565	10.1
133.10117	28.9
135.11673	10.5
137.05983	20.4
137.09586	18.4
139.11177	4.7
145.04939	3.2
145.10117	6.8
147.04388	4.0
147.11668	5.4
148.94144	3.5
149.09647	17.5
153.01788	6.9
161.05937	8.8
161.09552	3.4
167.10675	38.0
175.14807	70.0
189.08998	6.3
193.15860	17.3
211.08789	5.2
223.45978	2.9
245.12938	6.9
271.10757	32.9
293.13892	7.2
308.27097	3.1
311.14804	30.0
338.14886	5.4
364.12805	20.8
379.15244	7.4
380.19684	4.0
382.21262	14.0
391.16159	6.3
395.29135	6.1
408.19141	70.7
412.22220	10.2
438.20224	46.9
545.27655	8.6
557.23499	3.9
574.24731	5.2
574.31372	5.3
575.28979	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	574.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.6
55.05507	20.5
57.03438	17.2
57.06807	7.6
57.07070	54.9
58.11310	5.6
59.05021	7.2
67.05498	42.1
69.07069	22.0
70.82613	10.2
71.01328	6.2
71.08622	46.3
79.05486	37.0
81.03411	35.3
81.07060	49.6
83.04974	23.9
83.08612	18.6
85.02930	6.1
85.10174	18.3
87.04469	16.5
89.06207	5.2
91.05487	19.8
93.07044	42.6
95.04949	8.4
95.08606	28.9
97.02895	17.3
97.06525	8.9
99.04465	6.4
101.44662	6.1
105.07025	9.3
107.04954	15.9
107.08614	18.4
109.10165	21.8
111.04433	8.9
117.07024	15.6
119.08550	11.2
121.10146	11.5
123.08055	8.8
131.08553	9.0
135.11691	15.4
145.10121	23.3
153.12762	18.3
163.11166	36.8
173.09613	8.1
181.12267	8.2
191.10690	6.6
209.11752	29.7
227.12741	22.1
283.15448	22.0
293.04218	6.9
301.16464	53.1
313.27353	100.0
466.99997	6.2
521.38330	29.3
539.39148	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1671
Annotation	Upunaphenol E
Peak:m/z	Relative Intensity
52.43483	12.4
54.06662	12.9
65.76509	12.6
68.01735	12.9
73.97654	12.6
76.48759	13.9
81.07059	21.1
93.86177	13.7
95.08590	15.9
107.72404	12.6
142.25710	15.5
286.95276	14.1
404.16028	29.4
512.98193	15.4
543.25702	52.6
575.17169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05782	1.1
72.90482	0.9
100.11191	1.0
114.50848	1.0
118.28394	0.9
134.61035	1.0
143.49974	1.0
157.73622	1.0
172.17519	1.0
187.03627	1.5
195.99429	0.9
201.05257	3.4
218.05637	1.5
245.12875	1.8
289.79489	0.9
338.14966	1.6
341.09879	1.1
365.09747	1.5
380.12097	5.8
382.21136	5.3
408.12268	1.1
408.18320	1.0
412.21976	4.8
413.30008	1.0
438.20624	1.4
545.17755	7.2
545.27240	2.2
557.17810	1.5
565.24170	1.0
575.18781	100.0
576.19159	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	575.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47472	1.6
73.55962	0.4
81.35265	0.4
98.23294	1.3
129.97470	0.4
130.38887	0.4
179.87856	0.4
181.58008	0.4
203.05214	0.8
349.10519	0.5
395.14572	1.3
575.20929	100.0
576.21259	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	575.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65072	1.2
72.36131	0.9
89.35938	0.8
95.01079	2.4
96.01877	0.7
105.07027	0.8
105.43493	0.7
106.15192	0.6
112.08679	0.6
113.02110	1.4
119.04928	0.8
133.06506	1.0
133.16022	0.8
137.05986	0.9
150.93089	0.7
159.04129	0.9
165.09059	0.7
168.21082	0.8
172.39412	0.7
176.04387	2.0
185.04173	3.6
193.08606	2.3
201.03729	3.0
201.05319	1.7
202.06027	1.1
203.05251	5.4
216.07536	12.6
217.08275	4.2
219.11496	0.8
227.12024	0.9
245.12802	6.2
251.99727	0.8
338.15051	1.7
353.17288	1.5
365.13635	9.8
378.10703	1.0
382.21066	12.6
395.14426	1.4
408.19403	1.2
412.22223	5.2
438.19949	1.2
443.67917	0.7
492.41443	0.7
545.27905	1.6
575.20709	100.0
576.21155	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	575.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65072	1.2
72.36131	0.9
89.35938	0.8
95.01079	2.4
96.01877	0.7
105.07027	0.8
105.43493	0.7
106.15192	0.6
112.08679	0.6
113.02110	1.4
119.04928	0.8
133.06506	1.0
133.16022	0.8
137.05986	0.9
150.93089	0.7
159.04129	0.9
165.09059	0.7
168.21082	0.8
172.39412	0.7
176.04387	2.0
185.04173	3.6
193.08606	2.3
201.03729	3.0
201.05319	1.7
202.06027	1.1
203.05251	5.4
216.07536	12.6
217.08275	4.2
219.11496	0.8
227.12024	0.9
245.12802	6.2
251.99727	0.8
338.15051	1.7
353.17288	1.5
365.13635	9.8
378.10703	1.0
382.21066	12.6
395.14426	1.4
408.19403	1.2
412.22223	5.2
438.19949	1.2
443.67917	0.7
492.41443	0.7
545.27905	1.6
575.20709	100.0
576.21155	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	575.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46564	0.7
69.46944	0.6
82.86313	0.3
96.63598	0.3
118.06882	0.4
124.78992	0.3
134.77817	0.4
156.39363	0.3
203.05280	0.8
216.51122	0.3
225.45253	0.4
292.26691	0.3
395.14694	1.1
413.24872	0.6
426.72348	0.3
495.67316	0.3
535.61688	0.4
575.20966	100.0
576.21368	4.6
588.81238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05505	0.5
57.03403	0.3
57.34831	0.3
67.05489	1.3
69.03381	0.3
69.07056	0.5
70.65559	0.3
71.04987	0.3
78.39548	0.3
79.05484	1.5
80.05004	0.5
81.03406	1.2
81.05758	0.3
81.07047	1.3
83.08608	0.5
85.02905	0.5
91.05473	1.5
93.07037	0.9
94.06558	1.9
95.04968	0.7
95.08597	0.9
96.08152	0.3
105.07029	1.5
106.06561	2.3
107.07331	14.0
107.08538	0.6
109.10131	0.4
111.08064	0.3
117.07007	0.4
119.08581	0.7
119.93169	0.2
120.08067	0.3
121.08875	0.3
122.06068	2.6
122.09658	100.0
123.04439	0.3
123.10014	1.2
123.47575	0.3
124.03894	0.4
129.07050	0.4
131.08530	0.7
135.06815	0.5
136.07553	2.3
137.06094	0.3
143.08589	0.4
145.06490	0.3
145.10153	0.3
147.11707	0.3
148.11171	0.4
149.07086	0.3
150.09131	8.9
159.11771	0.3
159.28831	0.3
164.07060	0.7
169.84302	0.3
174.07813	0.3
175.08664	1.1
176.10693	1.0
182.57109	0.2
187.08733	0.3
193.12184	0.7
201.06628	0.4
201.10086	0.3
204.10031	0.2
211.13213	0.6
215.08116	0.3
216.08820	0.4
217.09691	3.3
219.11179	0.3
229.09749	0.5
235.10735	0.4
255.13638	0.4
258.10062	0.6
260.09244	0.3
261.08643	0.5
263.10208	0.3
273.14905	0.4
275.10162	0.4
276.11023	3.1
277.11835	1.0
306.16058	0.3
320.17676	1.1
321.15833	0.6
331.14328	0.6
338.15027	1.1
346.16681	0.3
348.17163	0.5
372.15518	2.7
379.18881	0.6
380.16226	1.2
381.14233	0.4
382.21219	0.5
391.16559	0.4
398.17078	16.8
399.17343	0.5
407.18393	0.5
408.15375	0.7
412.22406	0.4
426.16586	19.8
427.16953	0.7
436.14920	0.3
502.23132	0.6
529.24634	2.4
539.22498	0.4
547.25494	11.2
548.25903	0.8
557.23907	5.2
558.23322	0.6
575.24518	6.1
576.24414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19877	0.5
54.84303	0.6
69.46044	1.6
81.07037	0.6
95.08578	0.6
98.22856	1.4
117.08417	0.5
122.09647	1.2
124.11232	0.5
137.05942	0.5
153.01848	1.0
227.11882	0.7
241.47507	0.5
245.12836	7.4
257.68469	0.5
271.10840	0.5
294.92307	0.5
309.13245	0.6
338.14996	3.2
347.89331	0.6
353.17331	1.0
365.18396	0.9
369.15143	2.5
382.21231	14.1
395.10983	1.6
408.19205	1.7
412.22223	6.0
438.20233	1.6
545.27313	2.7
575.19592	10.9
575.28180	100.0
576.28613	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	575.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
55.05479	0.6
67.05466	1.2
69.03419	0.6
69.07034	1.0
69.23151	2.0
69.37234	0.4
79.05440	1.1
81.03375	1.0
81.07014	1.1
83.04959	0.5
85.02854	1.2
91.05438	1.6
93.07050	2.0
95.04921	0.7
95.08572	1.0
97.02847	0.6
97.06505	0.6
105.06989	1.3
107.08526	0.8
109.02853	0.5
109.10120	0.7
119.08556	1.5
121.10093	1.6
122.06000	0.8
122.09665	0.4
122.10484	0.5
125.09614	0.3
127.03874	0.4
129.06960	0.4
131.04851	0.5
131.08527	0.4
132.84477	0.4
133.06485	0.4
133.10112	0.6
137.05978	2.8
137.09543	0.7
138.06277	0.6
138.09076	1.7
145.10085	0.9
147.11542	0.4
149.09544	0.4
153.01822	2.2
153.05495	0.5
154.98529	0.4
157.10019	0.4
163.11095	0.4
164.06903	0.7
164.10724	2.5
167.10614	0.5
171.02802	0.4
173.09541	0.5
175.11163	0.3
175.14777	0.5
185.07109	1.0
203.18039	0.3
211.08713	2.6
212.09404	4.3
218.10487	0.4
227.11812	4.2
244.08342	1.1
245.09242	2.6
245.12848	3.7
257.09116	0.5
267.17279	0.5
269.09064	0.5
270.09796	0.8
271.10748	51.5
272.11063	1.8
277.13254	0.4
284.11499	0.5
285.12363	0.6
285.18362	0.4
286.11679	0.4
289.13373	0.8
292.14392	0.6
303.11478	0.7
303.14944	0.6
304.15549	0.4
305.11542	1.6
306.15988	0.5
317.12650	0.5
320.13919	4.0
323.10123	0.6
332.15021	0.4
333.12302	0.4
334.15503	1.1
335.13611	0.5
336.13397	1.5
338.14935	2.1
340.55722	0.4
347.13824	0.5
347.17798	0.4
348.17316	0.7
349.10568	0.7
349.18082	2.3
350.14914	3.2
353.17303	0.6
361.11172	0.5
362.12411	1.5
363.12271	1.9
363.16992	2.9
364.12875	30.5
364.16440	1.3
364.19485	1.9
365.13196	1.4
365.17767	0.4
366.18417	0.4
376.13892	1.1
378.14423	4.4
378.18542	0.6
379.15201	12.2
380.15652	1.1
380.19785	4.6
381.20221	0.5
382.21255	8.3
383.21594	0.5
390.18176	0.9
391.16400	12.3
392.16074	3.5
393.16721	2.0
395.29266	1.6
406.17529	2.4
407.18478	3.8
408.19128	100.0
409.19437	4.9
412.22314	5.0
413.30502	1.6
420.19168	0.8
438.20200	57.3
439.20511	2.6
545.27563	13.8
546.27832	1.3
575.28625	44.8
576.28918	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	575.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02331	0.8
53.03932	3.9
55.01863	11.9
55.05454	33.7
55.05741	2.2
57.03380	9.8
57.07025	1.7
57.69743	0.6
58.85539	0.6
59.04938	1.1
65.03880	3.2
67.05495	51.8
67.05822	2.1
69.03422	13.2
69.03767	0.9
69.07057	35.0
69.07401	1.5
71.01303	0.9
71.04987	5.6
77.03861	1.3
79.05482	51.1
79.05930	1.9
81.03405	41.9
81.07046	54.0
83.04973	15.6
83.08610	20.7
83.82515	0.7
85.02891	20.1
85.06488	2.9
87.04357	0.7
91.05466	50.6
93.07031	35.4
94.07334	1.0
95.01288	1.2
95.04953	28.8
95.08593	22.8
97.02875	11.5
97.06517	12.0
97.10159	13.6
98.23457	2.7
99.08013	2.0
101.05936	0.9
103.05393	1.6
105.04456	2.5
105.07013	39.5
106.07304	0.8
107.04935	14.5
107.08578	21.2
109.02820	1.1
109.06496	8.8
109.09438	1.0
109.10131	14.0
111.04367	3.4
111.08066	10.4
113.05932	1.8
115.05399	2.6
116.06152	1.3
117.07010	14.1
119.04877	2.5
119.08562	30.6
121.06490	7.9
121.10127	14.8
123.04360	1.8
123.08041	8.1
123.11677	4.5
125.08841	0.9
125.09604	10.4
128.06163	2.0
129.06989	11.5
130.07709	0.9
131.08554	21.2
133.06471	5.0
133.09183	1.2
133.10103	15.3
134.07205	1.0
135.08052	5.8
135.11685	5.4
137.09576	4.2
142.07680	2.8
143.08546	7.8
145.06430	3.6
145.10098	12.5
147.07037	0.9
147.08034	10.2
147.10594	1.3
147.11655	17.0
149.09592	8.4
149.13239	3.6
151.11090	2.2
153.09029	1.9
153.12657	1.3
155.08495	2.4
156.09335	1.3
157.10089	10.1
159.08017	1.6
159.11656	6.1
161.09612	5.5
161.13162	1.4
162.10385	0.9
163.11168	4.8
165.09016	2.3
165.12630	2.1
169.10030	2.7
171.11656	3.8
173.09561	2.1
173.11717	1.6
173.13213	2.5
175.11151	13.0
175.14767	1.1
177.12662	3.0
179.14301	1.4
181.12219	0.7
183.11604	1.8
185.09546	1.2
185.13155	2.2
187.11101	1.6
189.09531	1.1
189.11133	6.8
189.12691	1.2
193.12219	33.1
195.11629	1.1
195.13692	1.8
197.13205	1.2
199.11156	1.1
201.12642	1.1
203.14258	1.0
205.12164	2.6
207.13905	0.9
209.11636	1.4
211.13251	38.0
212.13571	1.0
215.14223	1.0
217.19562	0.9
219.13826	3.6
221.15335	0.7
223.13229	18.2
227.12712	7.5
227.17818	1.0
229.14317	1.0
245.19006	1.8
247.20515	0.8
249.14784	2.8
255.17392	2.1
257.18958	1.1
259.20572	1.7
263.20062	1.0
267.15817	11.3
273.18463	24.1
275.19986	9.1
283.15353	3.1
285.16827	3.7
289.18005	1.1
291.19492	100.0
292.19843	2.6
293.20914	1.2
299.14816	2.2
313.21603	1.5
317.98318	0.7
329.21109	1.2
347.22293	4.4
349.23532	2.3
365.23160	4.3
389.22961	0.9
437.25067	1.3
445.25958	1.1
465.29868	2.2
477.28387	1.6
483.30960	1.3
539.33368	2.3
557.34680	18.7
575.35760	82.9
576.36066	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	575.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
55.96178	1.4
57.69084	1.4
67.05510	6.6
69.03418	7.2
69.07060	11.5
70.52923	4.0
71.05000	1.7
72.25923	1.6
79.05476	7.9
81.03384	2.5
81.07054	15.5
83.08621	2.6
85.02901	21.0
91.05476	10.4
93.07034	11.8
93.22259	1.5
94.15591	1.3
95.04955	4.2
95.08602	20.2
97.02895	5.5
97.06532	2.5
105.07013	11.9
107.04947	1.9
107.08576	12.1
109.02912	3.1
109.10158	11.8
111.08042	1.8
111.11652	1.7
117.07015	2.9
119.08563	12.5
121.06523	4.6
121.10155	4.8
123.08039	1.9
123.11697	2.8
127.03108	1.8
127.03920	7.9
128.06227	2.4
129.07010	3.3
131.08559	10.0
133.10155	6.0
135.11693	2.0
137.05981	5.0
137.09618	2.1
141.07045	1.8
142.07773	1.7
143.08551	7.4
145.04980	5.4
145.10092	13.4
147.08052	4.8
147.11678	5.8
149.09618	2.7
149.13232	2.3
151.07594	1.9
153.01868	6.7
155.08554	3.8
157.10132	10.6
159.08066	3.0
159.11696	7.0
161.05966	3.6
161.09601	4.1
161.13278	2.3
163.11140	1.8
169.10117	4.9
171.08060	2.5
171.11678	5.5
173.09605	9.1
173.13278	4.4
175.07477	1.9
175.11206	6.8
175.14799	2.1
181.10184	3.4
183.11731	5.1
185.09599	2.5
185.13264	4.1
191.10669	6.1
193.10217	2.1
193.12401	1.6
195.11673	4.2
197.13277	6.1
199.11163	2.7
199.14819	11.6
201.12787	2.5
207.10097	2.9
207.11765	2.3
208.10501	2.1
209.13307	4.0
211.11281	2.3
211.14764	2.9
213.12749	3.0
215.14363	4.4
221.13225	2.0
223.14792	2.8
225.12801	2.8
225.16228	1.9
227.14334	5.4
233.15359	4.7
235.14818	1.7
239.14330	2.7
239.17836	3.7
247.14822	1.8
249.16295	3.4
251.14383	2.2
257.15457	1.6
263.17902	1.6
265.15973	2.6
267.17419	13.9
271.10666	2.1
271.16870	2.4
277.19434	2.1
281.19098	4.7
283.17114	3.3
284.17670	1.9
285.18460	71.0
286.18927	1.9
295.20569	3.5
297.18188	2.5
303.20935	3.9
307.20535	2.1
311.20007	3.5
313.21591	5.5
321.18546	1.6
321.22046	7.3
325.21707	3.5
327.23215	2.2
337.21756	2.0
339.23135	22.9
377.28418	4.0
380.27298	1.6
388.44757	1.7
395.29401	100.0
396.29669	6.1
398.28656	1.7
408.19174	1.9
413.30444	79.3
414.30731	3.7
438.20261	1.8
450.69937	1.9
575.28552	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	575.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.9
53.86631	1.9
54.76273	2.1
55.01867	12.9
55.05505	55.1
55.09118	1.8
57.03434	16.2
57.07065	5.4
64.10110	2.4
65.03934	7.4
67.05499	100.0
67.05867	5.2
69.03416	8.2
69.06703	3.2
69.07059	35.7
70.11671	2.0
71.04990	15.2
71.08597	1.7
77.03910	3.6
79.05485	91.6
79.05950	4.4
81.03414	36.7
81.07048	97.3
82.07384	2.7
83.04970	15.9
83.08621	28.0
85.02879	13.3
85.06532	8.5
91.05471	83.4
93.07033	76.2
95.04959	35.4
95.08596	61.9
97.06524	14.5
97.10165	23.3
98.22691	3.6
99.08092	5.9
103.05436	3.0
105.04470	4.1
105.07020	74.7
107.04953	15.8
107.08583	47.7
107.80450	2.4
109.06516	12.4
109.10143	33.8
111.04450	3.4
111.08091	7.7
115.05441	6.3
116.06218	2.6
117.07015	28.3
119.04859	2.4
119.08562	48.9
121.06493	9.3
121.10127	34.2
123.04417	2.3
123.08042	12.4
123.11697	8.3
125.09607	15.8
128.06209	5.3
129.06993	27.0
130.07796	3.8
131.08551	46.5
133.06468	10.4
133.10114	40.8
135.08022	13.8
135.11646	12.0
137.09587	7.8
141.06981	9.1
142.07782	5.8
143.08545	22.3
143.49680	2.2
145.06493	6.4
145.10089	33.4
147.08044	8.3
147.11665	21.3
149.09612	14.2
149.13251	5.0
151.11162	9.9
154.07745	2.3
155.08563	11.0
157.06543	2.5
157.10101	24.7
159.08017	5.2
159.11710	19.8
161.09621	6.5
161.13277	6.1
163.11177	6.3
163.14799	2.7
165.12727	3.0
167.08565	4.8
169.10114	15.6
169.12231	3.6
171.11678	17.8
173.09602	4.8
173.11813	3.5
173.13254	11.6
175.11203	15.9
175.14844	2.9
177.09071	3.8
179.08553	3.6
181.10095	6.0
183.11676	8.4
185.13188	11.1
187.11185	4.6
187.14825	6.4
189.11145	8.1
189.12674	4.3
193.10374	3.7
193.12256	18.9
195.11707	7.4
197.13217	7.0
199.14830	6.6
201.12691	5.2
207.11655	2.3
209.13185	4.2
211.11360	3.6
211.13216	23.4
211.14886	3.6
213.12656	3.2
217.15831	3.6
221.13161	2.7
223.13034	2.9
225.16447	2.4
227.12665	13.5
245.19060	4.2
253.14285	4.0
257.18863	2.7
261.18469	3.0
267.15933	7.3
267.73190	2.1
273.18561	22.3
273.21646	3.7
275.20056	12.3
283.15390	4.9
283.20578	2.8
285.17014	6.1
285.22092	4.3
291.19489	27.5
297.22009	2.7
299.20422	2.6
299.23721	8.9
303.23203	2.7
313.21707	2.2
327.23218	2.4
339.23050	3.6
347.22205	7.1
351.13696	2.4
353.24881	2.1
357.24313	2.7
365.23022	4.0
415.29959	4.2
421.25681	6.7
429.73184	2.3
433.30960	8.6
451.32132	11.6
469.32898	5.2
507.34650	3.6
515.37280	3.7
517.35297	15.0
525.35663	37.0
526.35468	2.7
543.36725	39.7
557.38647	13.7
575.38593	28.4
576.36414	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	575.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99988	3.0
53.03933	6.0
55.01872	7.8
55.05511	38.0
57.03429	9.5
57.07069	7.3
65.03954	4.1
67.05499	92.3
67.05858	4.6
69.07063	25.7
69.21404	19.0
71.05003	5.2
71.08630	27.7
79.05487	100.0
81.03421	14.3
81.07047	86.3
83.04977	16.1
83.08604	23.0
85.06543	6.5
85.10171	4.7
87.04464	39.9
88.04820	4.4
89.27553	3.1
91.05475	83.0
93.07036	81.9
95.04967	38.2
95.08600	42.8
97.06538	10.9
97.10178	9.2
99.08088	25.7
105.04512	6.4
105.07015	57.5
107.04951	14.7
107.08596	40.7
109.06528	9.7
109.10146	16.9
111.08097	8.6
113.09596	3.6
117.07008	16.5
119.08575	45.7
121.06537	9.0
121.10134	20.1
123.08075	6.7
123.11605	3.5
125.09633	8.1
128.06264	3.6
129.06996	22.2
131.08548	11.1
133.10118	28.1
135.11684	17.8
143.08554	12.7
145.10123	20.1
145.11095	3.2
147.07994	4.9
147.11671	37.8
149.13268	7.2
151.11166	27.7
159.11679	7.1
161.09637	5.7
161.13248	27.4
163.11192	18.6
165.12730	5.5
171.11688	23.2
173.13255	4.6
175.14876	3.4
177.12814	4.3
179.14331	14.2
185.65768	3.1
189.12724	12.2
207.13788	29.9
227.12775	10.9
241.19608	4.2
258.21893	3.1
259.20496	8.2
275.20059	7.2
277.21616	43.6
281.17477	49.7
295.22525	7.4
303.22565	3.4
351.25281	32.2
379.24933	7.4
459.31009	7.0
475.30496	15.6
557.38519	35.0
575.41284	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50718	1.5
53.03931	5.8
53.36034	1.4
55.01866	9.1
55.05505	49.6
55.07736	1.8
57.03437	12.5
57.07077	2.5
59.05005	3.6
65.03926	5.6
65.60606	1.6
67.05499	100.0
69.03422	6.3
69.07059	27.4
71.04977	18.3
79.05483	69.0
81.03406	11.1
81.07048	80.8
81.86212	1.8
82.34781	1.6
83.04967	9.4
83.08613	22.3
85.06531	7.0
91.05473	60.6
91.06038	3.0
93.07036	72.0
95.04950	18.7
95.08598	79.4
97.06527	13.5
97.10166	19.2
98.23470	5.4
99.08072	11.8
105.04493	4.2
105.07019	56.4
107.04923	8.9
107.08587	41.9
108.08926	3.2
109.06514	11.4
109.10141	26.3
111.04433	3.2
111.08066	5.9
113.06039	1.8
115.05487	2.5
116.95717	1.8
117.07006	27.3
119.04922	2.2
119.08565	43.6
121.06483	8.8
121.10124	31.1
123.08036	9.5
123.11692	5.1
125.09618	16.4
128.06209	6.6
129.07001	20.2
131.08556	42.9
133.06493	6.4
133.10121	29.8
135.08040	14.4
135.11688	16.6
137.09598	4.6
137.64238	1.9
138.67770	2.0
139.11180	3.1
141.06969	7.0
142.07770	4.6
143.08553	21.6
143.10693	2.1
145.06485	3.7
145.10115	37.0
147.08044	6.8
147.11679	15.8
149.09610	11.1
149.13219	3.2
151.07556	2.1
151.11150	4.6
153.09175	2.1
155.08533	13.3
157.10101	18.2
159.08018	2.9
159.11682	24.1
161.09651	6.7
161.13268	6.3
163.11157	7.8
165.12689	2.6
167.08571	4.0
167.10602	1.9
169.10094	14.6
170.10838	2.2
171.07965	2.4
171.10298	2.5
171.11673	17.0
173.09613	6.2
173.11766	3.1
173.13213	16.1
175.11172	6.3
177.12645	3.8
179.08548	3.9
181.10114	7.4
181.12117	2.3
183.11656	10.7
185.09598	2.6
185.13210	10.6
187.11195	2.7
187.14850	7.1
189.11238	8.2
189.12726	2.9
193.10101	3.7
193.12222	3.5
194.11082	2.2
195.11678	6.7
197.13258	8.4
199.11128	2.7
199.14859	9.1
201.12708	2.3
201.16469	2.6
203.14268	2.8
207.11786	3.0
207.13734	1.9
209.13268	5.1
211.13153	2.2
211.14838	4.3
213.16484	2.7
217.15982	2.2
219.11707	2.2
223.15024	2.0
225.16412	2.0
227.12752	13.9
229.14041	2.2
233.15439	2.3
235.14822	2.9
235.17023	2.0
237.16316	2.5
239.17981	2.9
240.59839	1.9
251.16388	3.3
257.19131	2.1
259.20547	2.0
267.15869	3.2
273.18497	6.8
275.19989	7.2
276.20355	3.1
281.22638	2.3
283.15344	3.6
283.20605	5.0
285.22061	4.7
287.19922	2.8
291.19498	5.5
299.23553	10.7
303.23035	3.1
313.21594	3.2
359.25513	2.1
365.23682	2.7
371.25574	2.0
405.26645	2.0
415.30029	5.3
421.25787	12.5
423.27438	2.8
423.32590	2.2
433.30981	15.3
451.31937	16.0
469.33041	6.7
483.34268	2.2
499.34152	6.1
507.34567	5.4
515.37518	2.3
517.35205	34.7
525.35681	45.7
526.35693	2.5
543.36694	54.1
544.36243	3.6
557.38696	18.9
575.39789	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	575.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14038	2.7
52.67646	3.2
52.93671	3.1
53.03946	7.5
55.01866	6.2
55.05511	31.2
57.03430	4.8
57.07065	5.9
65.03938	3.3
67.05501	88.2
69.07063	25.6
69.19092	3.8
69.19417	19.9
69.57765	3.0
71.04991	3.7
71.08630	38.8
77.23400	3.6
78.90233	3.3
79.05486	99.4
79.05943	5.5
81.03401	11.6
81.07049	82.3
83.04977	19.0
83.08598	12.4
85.06519	3.9
87.04459	6.8
91.04935	6.5
91.05478	80.2
93.07038	100.0
95.04960	31.8
95.08604	55.6
97.06535	15.1
99.08091	23.9
102.95930	3.6
105.04530	8.7
105.07025	60.2
107.04949	12.7
107.08588	40.4
109.06524	8.2
109.10133	13.8
113.09612	4.1
117.07007	17.3
119.08568	31.1
121.10146	18.5
123.08064	7.6
123.11710	3.9
128.06187	3.9
129.06996	13.5
131.08577	7.7
133.06546	3.1
133.10124	22.0
135.11690	30.9
137.09584	4.2
143.08549	13.1
145.10097	7.9
147.11656	30.0
149.13232	12.3
151.11185	16.0
159.11615	3.3
161.13289	26.7
163.11186	11.5
171.11670	20.7
175.14822	3.1
177.12711	3.6
179.12788	2.6
179.14294	69.8
185.13263	3.9
189.12758	11.1
190.12903	3.7
203.22855	3.3
207.13828	15.6
221.15402	3.4
235.16789	4.6
259.20526	5.8
277.21582	70.1
281.17450	63.0
295.22678	7.6
324.50635	3.6
351.25455	22.0
505.38510	3.8
557.38342	77.7
558.38757	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	575.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01870	13.4
55.05505	56.4
57.03434	13.8
57.07066	4.9
59.04995	4.4
60.32125	2.2
65.03935	4.3
67.05498	100.0
69.03419	7.4
69.07056	35.3
71.04984	18.0
71.08605	2.2
71.42231	2.2
79.05483	83.3
79.05951	4.7
81.03411	20.3
81.07047	86.3
83.04979	13.0
83.08605	18.8
85.02898	5.9
85.06522	6.8
86.44139	2.1
90.58024	2.9
91.05469	83.9
93.06438	4.2
93.07033	82.0
94.07359	2.2
95.01314	3.9
95.04952	26.9
95.08598	70.0
97.02889	3.7
97.06514	13.1
97.10146	18.2
99.08066	7.2
103.05427	2.7
105.04496	5.1
105.07019	72.4
107.04967	14.3
107.08575	39.1
109.06509	11.2
109.10148	20.9
111.04431	4.4
111.08083	6.9
115.05437	6.3
117.07006	32.6
119.08563	45.8
121.06483	9.9
121.10130	32.1
123.08043	9.5
123.11700	5.8
125.05957	3.0
125.09618	19.1
128.06180	6.0
129.07007	21.3
131.08539	39.8
133.06470	3.6
133.10107	30.2
135.08023	11.8
135.11670	13.0
137.09592	7.1
141.06956	7.4
142.07765	5.5
143.08508	21.0
144.09294	2.4
145.10101	32.6
147.08014	7.8
147.11667	18.1
149.09554	12.9
149.13240	5.6
151.11186	7.6
153.09106	3.1
155.08534	12.4
157.10109	23.9
159.08078	5.1
159.11664	22.0
161.09572	5.8
161.13216	8.9
163.11134	8.6
165.12737	3.7
166.07855	2.2
167.08476	4.0
169.10095	16.6
171.11635	15.5
173.09583	8.2
173.11874	2.7
173.13200	12.3
175.11203	11.1
175.14812	2.6
179.14282	6.1
181.10078	8.0
182.11032	2.0
183.11665	12.0
185.13210	9.2
185.22420	1.8
187.14790	4.9
189.11183	10.0
189.12694	3.6
193.10309	3.7
193.12245	9.6
195.11696	6.8
195.13635	2.3
197.13237	7.9
199.11208	2.6
199.13165	2.9
199.14816	5.2
201.12708	3.1
209.13359	4.4
211.13152	11.2
213.16464	4.3
217.15823	3.6
223.14915	4.5
225.16318	2.8
227.12694	10.2
229.14398	2.6
229.19672	2.2
232.09575	2.3
235.14873	2.6
240.24232	2.1
259.20502	3.4
267.15839	5.2
273.18533	8.1
275.20056	16.4
283.15524	2.3
283.20370	2.9
285.21921	3.8
291.19537	21.2
293.21475	2.5
299.23608	7.3
301.21777	4.0
329.21069	2.6
349.23352	3.0
365.23807	2.4
405.26456	2.3
415.29974	5.0
421.25888	7.4
423.27380	2.6
433.30896	11.4
451.32254	12.7
469.32855	5.9
499.34128	3.9
507.34274	5.6
515.36786	2.4
517.35181	17.9
525.35742	35.9
531.36572	4.0
540.37061	3.3
543.36670	41.6
557.38916	12.3
575.39612	29.2
576.38312	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	576.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01860	6.0
55.05513	17.0
57.03437	13.3
58.80319	1.8
59.05009	3.3
67.05499	33.2
69.00000	1.7
69.03418	5.4
69.07060	9.1
69.08898	6.0
69.09322	7.9
71.04984	2.4
79.05502	25.2
81.03413	86.0
81.07059	34.0
82.07385	2.5
83.04979	10.0
83.08615	26.7
85.02901	7.4
85.06514	4.0
91.05479	32.0
93.07049	22.2
95.04972	31.6
95.08616	10.5
97.02886	2.7
97.06526	5.5
97.10170	8.3
99.00805	8.8
105.07030	25.5
106.07352	3.1
107.04957	14.0
107.08571	13.5
109.02863	5.7
109.06515	8.9
109.10152	4.4
111.04420	4.1
111.08064	7.1
115.05476	2.6
117.07017	5.6
119.08570	17.2
121.06484	8.1
121.10120	9.7
123.08041	5.5
125.09623	6.7
129.06992	11.1
130.49471	2.3
131.08533	11.6
133.06549	5.0
133.10115	21.6
135.08051	4.3
137.09557	2.5
143.08571	5.1
145.06505	2.9
145.10097	7.6
147.08089	4.8
147.11665	9.0
149.09605	6.0
153.12741	2.4
157.10103	9.5
161.09613	9.0
169.10139	2.8
175.11166	10.2
179.10640	4.6
184.83015	2.1
186.12375	3.8
189.09151	6.7
189.11200	3.3
191.10751	2.8
193.12218	27.4
211.13318	15.0
219.13850	7.6
225.11131	7.3
227.12694	3.3
249.14835	3.3
258.35135	2.3
267.15897	100.0
268.16190	5.5
281.13995	3.6
283.15417	3.9
285.16983	21.4
286.99512	2.0
291.19376	3.4
299.14908	37.1
315.56659	2.1
367.22546	5.7
373.42108	2.1
385.23831	5.3
393.79401	2.5
459.27380	27.6
473.25168	7.9
477.28455	20.2
491.26309	32.7
509.27173	3.3
576.36102	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	576.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01875	4.0
55.05504	18.5
57.03427	9.7
67.05494	25.3
69.03407	3.4
69.07056	4.9
71.04985	4.7
72.61346	1.3
77.03889	1.6
78.60226	1.6
79.05480	26.0
81.03407	76.9
81.07048	26.3
83.04974	9.3
83.08604	23.3
83.94659	1.4
85.02909	7.9
91.05468	29.1
93.07033	21.6
95.04957	27.5
95.08607	13.6
95.09182	2.1
97.02878	3.5
97.06477	4.0
97.10159	7.0
105.07014	20.4
107.04945	11.2
107.08572	8.5
109.02888	3.2
109.06502	7.7
109.10139	6.9
111.08062	9.4
111.66061	1.5
113.05939	1.7
115.05405	1.7
117.06992	4.1
119.04919	1.8
119.08567	21.7
120.08904	1.7
121.06493	5.6
121.10122	10.7
123.08054	4.1
123.11668	2.8
124.99908	1.4
125.09608	6.2
126.35830	1.4
127.02197	1.4
129.06970	11.0
131.08566	15.4
133.06451	3.2
133.10120	14.9
135.08020	2.1
137.09587	5.2
142.07788	2.5
143.08566	3.4
145.06450	3.8
145.10114	3.5
147.08032	6.3
147.11646	8.9
149.09592	6.8
151.11156	2.5
157.10100	13.0
159.11777	2.4
161.09581	2.9
163.11194	4.8
165.12766	2.4
171.08084	2.8
175.11177	9.7
189.09085	1.7
189.11192	3.5
193.12227	31.5
200.52863	1.5
211.11386	2.8
211.13263	26.0
219.13765	4.0
227.12723	3.5
229.14365	2.0
233.15314	2.1
249.14760	3.4
267.15872	100.0
268.16296	2.6
273.14746	3.8
283.15305	3.0
285.16977	27.4
299.14877	13.4
309.13153	2.0
317.35410	1.8
349.21545	4.6
367.22604	13.1
385.23624	15.1
403.24786	3.8
405.23337	1.8
433.25702	2.6
441.25952	4.2
459.27353	47.3
473.25452	2.5
477.28488	43.6
478.28754	2.2
491.25690	13.6
526.33936	2.2
576.36493	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	576.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16299	42.9
81.03409	88.5
81.75782	44.6
93.75932	43.3
105.61474	49.6
156.05998	56.7
163.99974	47.8
236.77037	47.6
267.15936	75.9
294.50717	51.4
298.17313	46.9
313.27316	100.0
393.88284	59.5
505.38422	87.9
515.80164	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.8
57.03431	9.5
57.07071	26.1
61.10443	2.8
67.05501	14.2
69.07066	6.6
69.20240	10.2
69.20647	6.9
71.08627	14.7
73.41618	2.4
79.05489	6.6
81.03409	43.2
81.07053	14.7
83.04935	2.8
83.08607	12.7
85.10168	12.1
91.05468	10.9
93.07025	4.5
95.04930	11.9
95.08597	11.5
97.10163	5.0
98.22770	5.1
103.74318	2.8
105.07023	5.1
109.10140	8.1
119.08565	2.9
121.10198	3.2
125.09445	2.7
129.06975	6.4
131.08604	4.2
147.11691	4.2
155.35391	3.1
157.10115	6.8
175.11125	3.0
177.42819	2.7
190.70433	2.8
193.12285	16.3
215.14420	2.6
239.23590	3.3
249.15057	2.7
267.15884	100.0
267.18747	5.3
313.27362	92.0
383.24350	3.2
505.38867	68.4
533.23987	2.7
564.54126	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	577.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
56.05028	1.6
68.99785	1.0
69.03424	3.8
69.79917	0.3
69.80249	0.8
70.06574	0.5
81.03407	2.7
84.04493	60.0
85.02888	1.0
87.65427	0.3
98.06047	0.5
99.04436	3.8
101.07126	5.6
102.05536	1.6
116.07089	0.7
123.04402	0.5
130.04984	85.6
131.05232	0.5
139.03880	5.6
141.01794	1.0
141.19424	0.3
147.07623	100.0
148.07999	0.8
149.02339	0.4
151.03838	0.3
153.01785	0.4
159.04381	3.6
163.03903	0.6
165.01822	6.1
177.05444	9.1
179.03358	0.5
183.02876	3.2
189.05434	0.7
189.57884	0.3
191.03369	1.4
199.03862	0.7
205.04988	0.5
211.96774	0.3
213.05400	0.7
217.04956	1.0
219.02863	0.7
227.03349	0.7
227.10170	1.0
229.05032	0.4
241.04919	0.8
245.04442	5.2
245.11305	10.1
255.02805	0.5
259.05872	0.7
261.03833	0.5
263.05472	0.8
269.04376	0.8
273.03915	1.7
287.05472	2.4
306.91626	0.4
315.04947	6.9
333.06018	3.0
425.08502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45812	0.2
63.55607	0.2
64.04456	0.2
67.68587	0.2
69.18665	0.7
69.19073	0.6
89.25452	0.2
123.27934	0.2
134.13695	0.2
148.35881	0.2
156.57710	0.3
157.04758	0.2
159.04201	1.2
170.50209	0.2
171.04227	0.4
354.29037	0.2
362.66980	0.3
365.10135	0.4
379.11499	0.3
380.12115	1.7
519.31396	0.3
527.89862	0.2
529.18591	0.5
577.20374	100.0
578.20642	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	577.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49646	0.8
69.70534	2.4
72.88837	0.7
85.06534	0.6
86.15331	0.7
98.23169	1.9
107.07342	2.8
116.78006	0.8
119.75644	0.6
122.09662	21.2
123.09977	1.0
124.07616	0.7
129.63525	0.7
130.15393	0.6
141.73929	0.6
147.04396	1.0
172.04898	0.8
175.07542	0.7
204.07562	3.8
216.03914	0.9
307.09354	0.6
395.11136	0.9
400.18549	2.0
428.18042	1.7
549.27112	3.1
577.20386	100.0
578.20770	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	577.2252
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
58.97897	0.4
60.74604	0.3
66.62752	0.4
71.39850	0.4
127.05786	0.8
173.07895	0.9
187.07820	1.9
190.05988	0.9
203.08936	0.8
205.08952	0.6
218.11353	0.6
219.11996	0.5
236.12410	0.6
246.51244	0.4
247.09366	5.4
367.17294	0.9
415.17261	9.8
471.32465	0.4
471.83127	0.4
577.22644	100.0
578.23035	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	577.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	1.1
67.05473	0.9
69.07030	0.9
69.49555	0.5
71.04904	0.6
71.42985	0.6
78.17776	0.5
79.05463	1.1
81.06975	2.3
83.08549	0.6
85.02865	1.0
91.05436	1.5
93.06984	1.2
95.04907	1.0
95.08549	1.6
96.08018	0.7
100.11188	0.8
105.06981	0.8
107.08509	1.2
107.34044	0.5
109.10079	1.8
117.06965	0.7
119.08501	1.3
120.40047	0.6
121.06425	0.6
121.10078	0.8
124.07582	3.7
133.10049	1.0
137.05884	0.6
138.09074	2.4
145.06473	0.5
145.09930	0.6
147.04268	0.6
149.05879	0.5
151.65662	0.5
157.10139	0.7
161.05896	1.2
161.09512	1.0
161.13055	0.6
162.05479	0.8
162.06915	0.5
164.10635	1.6
167.06970	1.2
175.11143	0.5
189.09044	0.8
201.49297	0.5
207.07599	1.5
208.06000	1.0
211.08641	1.0
212.09424	1.2
227.11768	2.6
245.12802	1.9
257.08847	0.9
271.07825	1.2
271.10733	22.1
272.11041	1.2
273.11377	0.6
280.70099	0.5
284.75513	0.6
286.19272	1.2
292.14447	0.9
302.38766	0.5
306.16077	1.1
320.13828	1.9
322.19055	1.6
324.20618	1.1
336.13516	1.2
336.20694	2.2
338.14865	1.6
347.17316	1.4
348.16925	1.8
349.17969	3.9
350.14923	3.5
350.18631	1.3
354.21765	1.2
362.12363	1.3
362.18655	0.8
363.12326	1.0
363.16965	1.8
364.12842	12.3
364.20142	9.6
365.13266	0.8
365.18146	2.0
366.18173	2.2
378.14417	2.2
378.21756	1.8
379.15289	5.8
380.15094	0.8
380.19684	13.1
381.20114	0.7
382.21268	9.2
383.19955	0.7
391.16373	6.2
392.15912	2.6
393.16702	2.0
394.21338	0.8
397.31076	3.3
406.17401	1.8
407.18311	2.4
408.19122	95.1
409.19418	6.2
410.19858	3.5
415.31931	1.6
420.19159	1.0
421.68701	0.6
423.21002	0.6
424.22070	0.6
430.81613	0.6
438.20200	7.3
439.20667	1.6
440.20517	1.2
546.27948	1.1
547.29108	40.6
548.29431	1.5
577.30121	100.0
578.30115	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	577.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.4
67.05495	1.4
69.03421	1.0
69.07057	1.0
70.06557	0.6
70.15350	0.8
70.15665	0.7
72.07423	0.5
75.85853	0.5
78.87344	0.6
79.05487	0.9
81.07049	1.3
82.06577	0.9
82.68665	0.5
83.04986	0.8
83.08611	4.0
85.02886	1.6
85.06535	1.0
87.41174	0.5
91.05489	1.5
93.07052	1.8
95.08588	1.4
96.04479	1.2
96.08147	1.3
96.42780	0.5
96.65714	0.5
98.22844	1.2
98.23409	0.7
100.07616	1.9
100.11256	14.6
105.07058	0.8
109.10167	1.8
110.06039	1.3
111.04436	2.4
114.05525	8.8
115.05859	2.3
119.08630	0.7
121.10112	1.1
124.07597	3.9
127.04020	0.7
127.11191	0.7
128.07066	1.8
129.07019	0.6
133.10121	0.8
138.09128	3.1
140.07059	0.8
143.03273	0.6
143.08511	0.6
149.09589	0.7
150.09106	0.6
153.01851	3.6
154.02182	1.6
159.11749	0.9
164.10683	1.4
166.08607	0.7
182.15398	6.5
184.45946	0.6
191.60461	0.6
209.16519	2.4
209.72450	0.5
210.14911	4.0
211.08817	1.5
212.09506	1.7
225.10100	0.8
227.11761	2.8
245.09209	1.1
245.12871	2.2
266.06534	4.1
267.06891	2.8
270.09982	0.7
271.10757	24.9
272.11133	0.9
285.18555	1.4
286.19434	2.2
306.16080	1.5
319.18097	0.8
320.13931	2.4
320.17413	1.2
322.19156	1.8
324.20990	0.7
334.15619	1.0
336.13522	1.1
336.20758	2.4
338.14871	1.9
338.18680	0.9
347.17667	1.0
348.17102	2.3
348.26306	1.0
349.18069	2.7
350.14920	4.5
350.18701	0.8
351.15262	0.7
354.21826	1.7
362.12436	1.0
362.18710	1.2
363.17081	1.6
364.12881	13.3
364.20163	9.6
365.13858	0.6
365.18256	2.9
366.18231	1.9
367.18970	0.7
378.14160	3.2
378.21762	1.3
379.15268	6.7
379.30017	1.2
380.15060	1.1
380.19669	15.0
381.20474	1.1
382.21249	10.4
390.17831	1.0
390.73465	0.8
391.16403	6.6
392.15958	3.2
393.16779	2.8
397.30991	6.9
406.17520	2.1
407.18335	2.7
408.19153	96.5
409.19568	4.4
415.31915	3.4
420.18967	1.1
438.20074	7.2
455.32971	1.2
455.81757	1.0
513.88892	2.9
514.38959	1.4
547.29114	44.8
548.29517	3.3
568.41327	6.3
568.91357	3.7
574.43048	2.4
577.21332	5.9
577.30078	100.0
577.41602	30.9
577.91992	13.4
578.30194	6.9
578.42010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67310	2.6
53.03935	3.8
55.01868	11.6
55.05503	34.0
57.03436	14.5
57.07071	4.8
59.05001	5.7
61.84113	3.0
67.05500	65.5
69.07066	20.8
69.07403	4.5
69.07804	15.8
71.01339	2.9
71.04987	20.1
71.08624	25.1
72.37460	2.5
79.05493	65.7
81.03422	17.0
81.07053	92.4
83.01334	8.0
83.04980	22.7
83.08617	20.9
85.02889	4.1
85.06517	3.8
91.05475	52.7
93.07044	100.0
95.04970	18.0
95.08595	53.0
97.06512	17.1
97.10168	5.3
99.08089	21.1
105.04484	6.8
105.07013	33.8
107.04926	14.5
107.08588	51.4
109.02921	2.8
109.06517	10.3
109.10164	12.5
111.01528	2.5
111.08109	4.5
113.09638	3.6
114.91060	2.5
117.07001	13.4
119.08575	39.5
121.10129	41.9
123.08057	8.4
123.11708	4.2
129.07013	6.6
129.95479	2.8
131.08577	16.2
133.10123	24.1
135.11691	47.0
137.09583	4.8
141.09180	3.8
143.08559	5.2
145.10109	23.6
147.08044	5.4
147.11684	16.5
149.09645	3.7
149.13252	9.6
151.11165	15.0
153.12781	3.1
157.10120	2.7
159.11707	9.1
161.13263	20.5
163.11180	30.9
163.14871	4.6
171.11627	3.6
173.13193	4.1
175.14755	3.6
177.12779	5.9
178.78952	2.5
179.14301	90.5
181.12236	3.6
185.13347	4.8
191.10680	4.2
193.12268	4.8
195.69115	3.6
199.14798	4.8
209.11714	10.4
227.12794	7.1
235.17035	6.0
236.79005	2.7
241.19670	5.4
259.20544	10.4
265.14252	4.0
269.17456	2.9
277.21597	66.2
283.15393	93.3
295.22534	7.6
301.20056	5.8
333.24036	5.1
335.25821	4.8
351.25406	15.1
501.35641	11.8
527.37366	8.0
545.38104	6.3
559.36200	66.8
577.36993	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	4.3
53.03948	4.3
55.01871	23.6
55.05506	45.7
56.49463	2.1
57.03426	16.2
57.07064	3.5
59.04961	2.3
61.68679	1.9
65.03928	6.0
67.05495	82.9
68.05815	2.6
69.03421	9.1
69.07058	30.1
71.04976	10.1
71.29168	2.0
76.51180	2.0
77.03958	1.8
78.12746	1.7
79.05486	82.2
80.76730	1.5
81.03412	55.8
81.07049	100.0
83.04971	19.0
83.08605	29.0
85.02897	19.5
85.06520	4.8
87.04481	3.2
91.05470	80.0
92.05832	2.9
93.07034	59.7
93.07600	3.7
95.04346	1.9
95.04957	45.2
95.08601	52.3
97.02871	3.4
97.06516	29.9
97.10160	14.3
99.08098	2.2
103.05437	3.4
105.04510	5.5
105.07018	79.6
105.33028	1.7
107.04937	24.7
107.08588	42.3
108.08934	2.1
109.06514	16.9
109.10155	20.5
111.04422	3.6
111.08048	13.3
113.05989	3.1
115.05473	3.3
116.54507	2.1
117.07012	19.0
119.08567	51.1
121.06487	7.5
121.10126	24.7
123.08057	12.7
123.11671	9.5
125.09597	13.8
128.06219	4.1
129.06984	16.0
131.08545	33.6
133.06479	4.8
133.10114	32.6
135.08009	9.6
135.11682	11.8
137.09590	8.7
138.70113	1.7
141.06992	3.6
141.09033	2.0
141.41808	1.8
142.07732	3.8
143.08546	5.4
145.06425	2.5
145.10110	23.6
147.08031	5.7
147.11668	32.6
149.09602	28.0
149.13248	6.1
151.11198	6.0
153.12808	2.0
155.08539	5.2
157.10094	20.8
159.08104	2.3
159.11649	12.6
161.09563	2.5
161.13229	5.6
163.11179	14.1
165.12730	8.3
169.10117	4.2
171.11662	6.3
173.09549	3.2
173.11868	2.7
173.13287	6.8
175.11192	17.0
177.12762	5.3
179.14264	3.4
181.10060	2.4
183.11636	5.6
185.13213	3.5
187.11255	4.2
187.14928	2.5
189.11206	4.8
191.10744	3.8
193.12221	45.4
197.13277	3.5
199.14906	2.5
201.16339	2.0
205.12321	3.1
211.13245	53.4
223.13147	1.9
227.12730	14.3
229.14282	2.6
229.19493	4.4
239.17938	5.9
247.20642	4.8
249.69154	2.0
257.18954	11.4
259.20535	3.8
267.15878	24.8
268.16089	2.2
269.17374	2.6
273.18536	3.5
275.20041	73.4
275.43710	2.0
276.20407	2.2
279.15845	2.2
283.15292	3.2
285.16907	32.8
291.19525	4.8
293.20987	8.4
299.19885	3.0
331.22662	3.1
349.23785	32.2
358.44693	2.2
367.24680	3.6
431.29083	1.9
449.30817	2.0
463.30542	2.0
467.31229	3.3
479.29980	8.5
485.32220	2.1
541.35126	10.2
559.36237	24.6
560.35822	2.3
570.05194	2.1
577.37384	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01874	17.1
55.05505	55.7
55.37178	1.6
56.05835	1.7
57.03433	19.7
59.04999	3.3
65.03941	5.7
67.05501	84.8
69.03435	9.6
69.07067	31.8
71.04980	13.3
71.41936	1.8
73.06596	1.7
79.05488	76.1
79.05948	3.7
81.03410	81.8
81.07050	81.0
82.07394	1.9
83.04975	30.6
83.08607	48.0
85.02893	32.9
85.06544	5.1
91.05471	80.1
92.05823	2.3
93.07037	69.7
95.04964	100.0
95.08594	43.9
97.02891	6.6
97.06526	15.4
97.10174	16.3
99.04445	11.5
99.08109	4.8
102.07139	1.8
103.05459	2.2
105.04534	3.2
105.07018	59.8
107.04947	21.3
107.08584	48.2
109.06509	14.3
109.10149	20.0
111.04437	22.3
111.08071	21.4
113.06020	4.1
115.05492	2.7
116.06281	2.3
117.06982	15.9
119.08576	53.5
119.09409	3.2
120.08900	1.8
121.06489	9.0
121.10138	33.5
123.08064	12.3
123.11739	6.6
125.06043	2.1
125.09617	17.2
128.06223	2.9
129.06982	18.4
131.08548	32.7
133.06494	5.5
133.10120	27.0
135.08096	10.1
135.11684	13.9
137.09647	6.0
139.11192	4.7
141.06950	2.9
143.08595	5.5
145.10098	26.0
145.11035	2.2
147.08075	6.9
147.11676	28.8
149.02316	10.5
149.09607	39.3
149.13324	2.6
151.11211	4.6
153.09099	2.4
153.12726	3.0
155.08585	3.2
157.10112	19.0
159.11699	12.1
161.09615	5.0
161.13283	5.9
163.11166	31.4
165.09158	2.2
165.12788	8.0
167.10680	3.0
169.10115	3.9
171.11684	2.5
173.09575	3.3
173.11819	2.2
173.13281	5.0
173.61310	1.9
175.11160	16.6
175.14825	1.7
177.12787	3.2
177.97159	1.8
181.12242	3.8
183.11693	3.1
185.13303	2.5
187.11243	2.7
189.11208	16.1
189.12611	1.9
191.10660	3.6
193.05011	7.6
193.12219	56.8
205.12312	7.0
211.13269	65.6
223.13272	65.7
227.12885	5.1
237.14937	2.5
239.17950	3.8
247.20461	2.2
253.14346	2.5
257.19101	9.9
267.15839	27.9
273.18552	2.4
275.20038	73.4
276.20499	2.9
277.21475	1.9
285.16919	12.3
291.19574	2.0
293.21057	36.5
301.21991	2.0
333.24240	2.3
349.23621	14.3
367.24905	5.9
449.30450	2.2
456.00732	1.8
485.32892	3.0
541.35248	8.2
549.01917	1.7
559.36322	25.8
560.36737	2.1
577.13275	9.0
577.37323	86.0
578.37848	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19890	1.9
53.03942	8.5
55.01867	47.2
55.05502	44.9
57.03431	25.2
57.07066	2.9
63.94325	1.7
65.03922	5.8
67.05497	96.9
68.05828	3.5
69.03417	6.7
69.07059	47.3
70.53837	3.5
71.04993	9.9
74.17116	1.6
77.03912	2.9
79.05484	77.9
80.05805	2.6
81.03410	63.4
81.07048	97.0
82.07381	3.3
83.04972	25.5
83.08614	36.0
84.08992	1.9
85.02892	22.1
85.06528	5.8
91.05470	100.0
92.05803	3.4
93.07030	70.9
94.07392	2.6
95.01332	6.3
95.04352	2.1
95.04955	46.4
95.08595	55.7
96.08941	1.8
97.02898	5.1
97.06520	65.4
97.10161	12.5
98.98469	7.4
99.08080	4.3
100.07867	1.7
101.16126	1.8
103.05479	2.3
105.04513	4.5
105.07019	92.4
106.07368	2.5
107.04942	30.0
107.08577	41.2
109.06512	16.7
109.10143	25.6
111.04432	6.8
111.07412	1.9
111.08078	12.2
113.05999	3.8
113.09592	2.3
115.05445	4.4
117.07002	26.0
117.07702	2.6
119.08569	58.4
121.06491	11.1
121.10134	28.1
123.04431	2.6
123.08051	11.4
123.11696	6.2
125.09621	12.2
128.06273	2.5
129.05475	2.3
129.06998	18.1
131.08554	40.8
131.09581	2.0
133.06479	4.1
133.10120	47.0
135.08022	11.5
135.11659	14.5
137.09607	9.1
139.07564	3.3
141.06964	3.5
142.07736	3.5
143.08521	11.2
144.22949	1.9
145.06485	4.5
145.10100	27.5
146.10443	2.0
147.08051	8.2
147.11668	35.0
149.09605	24.9
149.13303	7.6
151.11150	6.5
155.01060	6.4
155.08551	4.4
157.10117	19.8
159.08087	2.8
159.11656	19.3
161.09625	3.0
161.13243	12.3
163.11156	15.9
165.09099	2.9
165.12750	2.8
169.10150	6.0
171.11664	7.6
173.09581	2.0
173.13208	9.1
175.11166	13.7
175.14810	3.9
177.12781	6.3
179.10716	2.8
179.14293	15.4
181.10109	2.7
181.12206	2.1
183.11687	8.1
185.13161	2.1
187.11200	4.1
187.14854	5.2
189.11186	4.8
191.10672	2.4
193.12204	39.4
195.11845	2.5
195.13849	3.7
197.13213	4.4
199.14813	3.0
201.12784	4.4
205.12280	2.6
211.13257	43.0
211.15089	3.3
212.95302	2.4
213.16388	3.2
215.17995	1.9
219.13550	2.5
223.13197	2.3
227.12769	8.4
229.14354	2.7
229.19505	2.7
239.17908	2.8
243.21072	2.7
247.20593	5.6
249.14992	2.3
257.19006	9.4
259.20575	6.3
261.22119	3.4
267.15936	25.3
273.18475	3.4
275.20041	94.2
276.20251	4.3
283.15326	2.6
285.16925	49.2
291.19461	13.7
293.21060	15.2
294.21448	2.2
301.16385	4.4
315.23215	2.2
333.24136	3.5
335.26102	4.3
347.21918	1.9
349.23688	35.2
431.29169	2.1
449.30563	2.0
467.31491	4.3
485.32257	3.1
523.33484	2.1
541.34937	18.1
542.35718	2.5
559.36188	37.5
577.37653	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	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07497	1.4
55.05502	6.5
67.05504	4.0
69.03429	4.1
69.07072	10.8
71.04986	2.1
71.43702	1.8
79.05501	3.5
81.03418	2.2
81.07038	8.1
83.08629	2.9
85.02898	20.3
89.24766	1.8
91.05481	5.4
93.07041	8.7
95.04956	3.4
95.08594	18.1
96.04475	3.9
97.02892	3.7
97.06487	1.6
100.11243	8.2
105.07031	6.3
107.08574	6.8
109.10145	7.8
111.04424	3.3
114.05524	29.4
115.05873	3.6
117.07048	2.7
119.08576	5.2
121.06497	3.5
121.10144	4.5
123.08087	4.3
123.11665	3.7
124.07590	2.3
127.03934	3.5
131.08604	3.7
133.10126	6.5
135.11662	2.0
137.05920	1.9
143.08490	1.8
145.04893	2.3
145.10123	5.6
147.11691	9.3
149.05861	1.8
153.01796	11.2
154.02142	3.8
157.10098	3.2
159.08038	1.8
159.11708	3.6
161.09650	2.7
161.13345	2.2
163.05991	1.9
167.07155	1.7
169.10104	1.9
171.11705	2.5
173.09616	11.7
175.11197	3.4
178.89650	1.6
181.10208	2.0
182.15433	5.3
183.11665	3.0
185.13284	3.1
197.13232	3.4
199.11188	2.2
199.14792	2.9
200.11929	3.6
201.12782	4.0
209.16467	2.4
210.14890	3.0
213.12524	1.8
215.14429	1.7
225.12779	2.2
225.16344	8.0
227.11812	3.3
239.17920	3.3
240.18690	8.5
241.19443	3.2
243.17494	2.3
251.18013	3.3
253.15805	4.7
266.06586	15.1
267.06995	9.3
267.17413	3.9
268.18216	14.8
269.18997	6.4
271.10767	17.6
271.16907	3.4
272.11005	2.6
285.18448	26.5
286.19241	62.6
287.19971	6.8
322.19073	2.0
336.20636	2.4
348.16974	1.9
349.17795	3.3
350.14963	3.7
363.16754	2.0
364.13016	12.8
364.20120	7.4
365.18570	1.9
378.14514	4.5
378.21628	3.0
379.15265	5.2
379.29901	6.0
380.19577	11.4
382.21335	8.1
391.16171	6.9
392.16135	2.0
393.16748	2.4
397.30969	100.0
398.31125	4.7
407.18512	2.7
408.19128	81.6
409.19479	6.7
410.19708	3.7
415.32004	61.1
416.32278	2.5
438.20044	6.5
439.20450	3.4
440.20731	2.1
513.88452	2.1
514.38647	2.0
547.29034	34.1
548.28857	2.3
568.41193	6.9
574.42664	2.7
577.20538	11.4
577.29883	83.8
577.41284	24.3
577.92023	14.3
578.30603	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11267	0.9
53.77818	1.0
55.01868	1.4
55.05509	3.5
67.05498	4.6
69.03419	3.1
69.07066	11.4
70.04089	2.4
71.04993	1.5
79.05501	5.8
80.76789	0.8
81.03409	1.2
81.07056	10.0
83.08627	2.1
85.02912	9.1
85.06538	1.1
91.05469	5.2
92.25903	0.9
93.07037	9.4
95.04958	1.8
95.08605	14.7
97.02867	3.0
97.10156	1.1
105.07018	5.6
107.04955	1.7
107.07345	1.4
107.08593	6.9
109.02892	1.5
109.06463	1.3
109.10147	7.6
110.09669	2.1
111.08028	1.4
117.07002	2.1
119.08571	5.5
121.06511	3.8
121.10136	4.5
122.09669	9.4
123.08044	2.8
123.11674	2.8
124.07565	2.7
127.03911	1.8
129.05344	1.1
129.06985	2.3
131.08562	3.9
133.06418	1.1
133.10118	3.9
135.08057	1.5
135.11696	2.8
138.09143	3.0
139.07471	1.3
143.08563	3.2
145.04941	1.1
145.10141	6.4
147.04419	1.7
147.08026	1.6
147.11659	4.6
149.09529	1.4
149.13333	1.6
157.10097	2.8
159.08023	1.6
159.11696	3.1
161.09605	2.9
163.11087	1.2
163.14856	1.1
164.10739	1.6
166.08633	1.7
169.10193	2.0
171.11667	3.2
173.09593	4.6
173.13242	2.1
175.11174	2.3
175.14903	1.1
181.10181	1.2
183.11707	2.0
185.09586	1.5
185.13210	1.9
187.11125	2.8
195.11673	1.6
197.13234	1.9
199.11200	2.0
199.14745	2.2
200.12083	1.2
201.10289	1.8
201.12694	1.3
211.11227	1.3
213.12767	1.1
213.16403	1.1
215.14261	2.2
219.11263	1.9
219.13356	1.0
225.10283	1.0
225.12668	1.2
225.16325	2.9
225.86346	1.1
227.14343	2.3
239.17899	2.1
241.15831	2.7
243.17433	5.2
245.09238	4.5
245.12860	2.3
251.17900	2.7
253.15840	3.8
253.19641	1.1
255.17290	1.6
261.08795	1.3
261.18512	3.2
267.17413	6.4
268.18207	28.9
269.18933	9.2
271.10815	2.3
285.18512	8.8
286.19244	22.7
287.10324	1.5
287.19907	3.0
303.32135	1.0
312.89877	1.0
351.30569	1.1
364.12903	1.7
364.20105	3.4
376.19943	1.3
379.29932	9.9
382.21283	12.6
394.21185	2.1
397.30994	100.0
398.31329	2.9
408.19138	15.0
412.22418	2.3
415.32056	22.2
420.19330	6.1
420.24298	1.1
422.16809	1.4
438.20120	3.1
547.29193	12.3
559.29419	8.5
559.36383	2.3
577.29846	19.9
578.29309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51441	2.1
51.02379	2.8
53.03951	2.9
55.01860	11.0
55.05505	63.2
57.03431	11.0
57.07072	7.7
62.56553	2.2
65.20224	2.1
67.05499	100.0
69.03428	6.4
69.07063	34.6
69.82511	4.1
69.82839	3.7
71.04990	12.4
71.08618	5.4
77.03931	4.4
79.05485	59.0
80.37929	2.2
81.03410	7.7
81.07050	82.3
81.31110	2.2
83.04990	9.0
83.08611	28.4
85.06548	8.4
91.05473	48.7
93.07037	67.5
93.07601	4.2
95.04949	15.1
95.08592	48.9
97.06541	9.8
97.10157	34.1
98.23370	3.0
99.08075	5.1
104.16106	2.3
104.53622	2.1
105.04501	3.2
105.07024	53.7
105.40538	2.2
107.04948	5.7
107.08581	42.5
107.09254	3.5
109.06509	6.1
109.10152	23.1
111.08087	9.7
115.05457	4.0
117.07013	21.4
119.08573	42.9
120.90376	2.5
121.06503	6.9
121.10117	23.8
123.08049	6.0
123.11684	6.2
125.09604	25.9
129.07001	14.4
131.08548	36.6
133.06433	3.9
133.10123	27.7
135.08047	7.3
135.11674	14.3
137.09641	3.8
137.13252	5.2
139.11232	4.0
141.07016	8.3
142.07787	3.3
143.08557	14.4
145.10103	21.7
147.08051	7.0
147.11671	16.8
149.09595	8.7
149.13237	6.6
149.67847	2.2
151.11182	6.7
153.09079	2.6
155.08557	11.2
157.10109	13.1
159.08093	2.8
159.11681	15.7
161.09613	4.7
161.13240	10.2
163.11183	6.2
163.14818	3.3
165.12846	2.6
167.08556	4.2
167.99646	2.6
169.10114	7.5
171.10364	3.9
171.11716	13.4
173.09552	2.8
173.13258	10.6
175.11194	5.6
175.14828	8.3
177.12787	7.5
179.14415	2.7
181.10046	5.7
183.11714	5.2
185.13257	9.0
187.14835	9.4
189.11237	12.9
189.12709	3.2
189.16415	4.2
190.94545	2.5
191.14272	4.1
193.10071	2.5
195.11784	3.8
197.13271	5.8
199.13254	2.6
199.14796	11.3
201.12698	2.7
201.16504	5.4
203.14343	3.3
203.17882	3.1
209.13383	3.7
211.14835	3.1
213.16423	3.3
215.17958	3.5
225.16347	4.1
227.12721	33.4
237.16382	2.7
238.64034	2.6
241.14215	2.9
254.00966	2.4
259.15201	3.1
259.36929	2.9
261.22025	3.7
267.15915	5.5
273.22198	2.8
275.20163	4.7
277.21594	2.7
283.15540	3.5
283.20807	2.6
283.24103	5.4
287.23608	3.2
299.23660	3.7
301.21811	3.8
301.25146	18.5
303.23279	4.1
315.23035	3.1
407.24399	5.0
409.31097	3.7
417.31555	3.9
421.25858	8.4
423.26749	2.4
435.32574	19.5
445.32809	6.6
446.69827	2.4
453.33569	9.4
471.34637	8.0
501.35483	8.8
509.35828	6.9
517.38666	2.7
519.36780	38.6
519.44037	3.9
527.37238	49.3
545.38300	55.0
546.38507	3.9
559.40265	18.3
577.41382	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	578.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87136	2.9
53.03934	3.2
55.01864	20.4
55.05509	24.0
57.03432	23.7
65.03938	3.2
67.05494	43.0
69.03420	6.8
69.07068	9.5
69.97579	7.5
71.04987	3.8
79.05492	28.1
81.03411	100.0
81.07049	33.5
83.04976	21.6
83.08609	24.9
85.02915	6.4
85.06548	4.0
87.04444	3.8
91.05470	40.9
93.07048	24.9
95.04401	4.2
95.04958	34.8
95.08593	13.6
97.02876	5.7
97.06514	9.2
97.10171	12.5
98.07328	4.6
98.22692	2.9
99.08070	4.5
105.07016	25.5
107.04933	16.2
107.08582	18.1
109.06509	6.0
109.09483	3.1
109.10160	12.0
111.04432	9.6
111.08064	11.7
111.58173	3.2
112.28273	2.6
115.05392	2.9
116.04697	10.3
117.07039	7.5
119.08558	22.1
121.02872	3.8
121.06509	7.9
121.10133	14.1
123.04361	2.8
123.08054	7.9
123.11640	3.9
125.09623	16.5
129.05460	23.6
129.06982	12.4
131.08580	13.1
133.10097	13.9
135.07988	3.3
135.11726	13.1
137.09598	4.5
143.07013	6.1
145.06587	3.3
145.10117	11.1
147.08047	6.1
147.11673	11.2
149.09608	10.6
153.08984	3.5
153.12726	17.1
157.08588	11.2
157.10020	13.1
162.05376	3.2
163.11143	17.8
171.10143	3.9
173.11674	2.8
175.11145	13.6
175.81909	2.8
181.12230	14.1
189.11230	7.6
191.10658	5.0
193.12209	34.2
194.12601	2.9
199.13271	3.0
200.28804	3.2
201.12772	3.2
209.11679	7.5
211.13304	6.6
227.12755	15.6
229.14351	8.7
247.13310	13.6
249.14676	3.6
264.33273	2.5
267.15872	79.3
276.20309	4.2
283.15396	9.0
301.16425	38.3
321.16876	5.4
453.73703	2.8
475.26877	10.1
493.27972	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73753	9.0
67.05496	30.6
69.03439	7.6
69.95737	16.6
70.40362	8.4
70.55672	9.1
74.49024	7.8
79.05498	12.7
81.03402	29.2
81.07044	38.3
91.05469	12.5
93.07024	8.4
95.04958	25.9
105.07028	16.1
107.04952	10.4
107.08599	8.7
130.08716	7.9
133.10104	18.3
142.18651	9.0
145.02849	11.0
160.68265	8.3
163.90144	9.0
174.15096	9.4
177.05537	13.7
177.86401	9.2
267.15833	16.6
291.42944	9.2
417.26416	12.5
435.27460	25.5
443.27783	12.7
461.28894	100.0
493.31421	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	18.5
57.03422	11.6
59.97768	3.9
67.05505	57.9
69.07056	19.2
70.07393	4.4
77.34103	3.8
79.05488	50.8
81.03381	6.1
81.07053	53.7
83.08601	14.8
91.05463	25.2
93.07047	57.8
95.04951	11.8
95.08599	67.5
97.02863	9.0
97.06539	7.7
97.10175	7.6
97.69033	5.0
105.07008	17.4
107.02942	4.2
107.04942	9.9
107.08597	36.7
109.06445	5.6
109.10123	14.0
117.06997	13.5
119.08582	21.1
121.06510	7.7
121.10114	25.8
131.08540	10.4
133.10120	10.0
135.11696	39.1
136.81505	3.9
145.10121	23.6
147.11665	5.6
161.13112	4.8
163.11183	40.3
181.12277	5.1
189.20018	4.1
225.23427	4.8
227.12733	59.2
246.28596	4.1
261.22037	9.4
283.15448	29.1
329.11456	4.6
335.25760	100.0
336.26041	5.4
403.38205	4.8
528.37500	5.7
543.36749	40.5
546.37982	7.5
579.38995	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	579.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01860	2.3
61.42210	0.6
61.73125	0.5
65.03922	1.1
67.05505	0.8
68.99780	5.5
69.03419	2.1
75.65111	0.5
77.03917	1.2
79.05464	1.9
81.03400	3.8
85.02874	1.3
89.03927	0.8
93.03401	1.1
95.04962	2.1
97.02909	0.7
97.06519	2.1
99.04449	1.4
103.05447	0.8
105.03395	1.2
107.04975	2.7
109.02862	3.4
111.00787	1.7
111.04424	2.6
119.04926	1.9
120.52243	0.7
121.02845	1.5
123.04417	44.6
127.03901	100.0
131.04895	2.2
135.04402	27.2
137.02344	4.0
137.05952	0.9
139.03882	50.8
140.04199	0.9
141.06995	1.0
143.04897	1.0
145.02849	0.7
145.06468	0.7
147.04359	7.0
149.02339	3.9
149.05971	1.8
151.03889	9.7
153.01831	0.9
155.04898	0.9
157.06471	0.9
159.04379	3.0
161.05949	3.8
163.03886	35.6
165.01741	0.7
165.05472	6.3
167.03389	7.7
169.06480	1.9
173.05959	3.5
175.03896	4.0
177.05495	4.4
179.03326	3.6
181.04919	1.2
181.06406	0.8
183.04399	1.1
185.05992	1.7
187.03810	4.8
187.07423	0.7
189.05484	2.2
191.03380	11.5
193.04947	4.3
197.05983	3.0
201.05441	7.2
202.10699	1.0
203.03401	7.6
203.06979	1.7
205.04958	3.4
205.06560	0.6
207.06487	1.2
213.05434	1.8
215.03448	1.6
215.07031	2.9
217.04980	1.5
225.05479	1.6
229.04976	9.2
230.05692	1.0
231.06464	1.7
233.04382	5.4
241.04968	1.3
243.06523	4.1
245.04446	6.2
247.05978	16.0
247.08542	0.8
251.05569	0.8
253.04916	1.5
255.06543	2.6
257.04404	9.5
258.05148	1.2
259.02386	1.0
259.02881	1.1
259.06000	10.6
261.07599	0.7
269.04434	3.2
271.03140	0.7
271.05981	20.1
271.08942	1.2
273.03708	0.7
273.07639	1.1
275.02316	1.1
275.05463	16.4
277.03360	1.4
283.06000	7.7
287.05444	22.4
289.07037	12.2
291.08606	10.7
297.07593	1.3
299.05453	4.1
299.08759	1.3
301.07031	15.5
303.08640	2.2
311.05609	0.9
315.08997	0.7
325.06836	1.8
327.08646	1.8
329.06488	0.9
335.05090	0.6
353.06512	1.5
371.07495	1.6
373.09164	4.7
399.06989	2.2
409.09122	25.3
410.09335	0.8
411.10562	1.8
417.08246	1.9
421.09192	1.1
427.10056	5.9
430.73868	0.7
435.10538	1.5
579.20917	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	ent-Epicatechin-(4alpha->6)-ent-epicatechin
Peak:m/z	Relative Intensity
51.02367	0.9
55.01861	2.5
67.05500	1.2
68.99780	6.3
69.03412	1.1
69.77112	0.8
69.77447	1.9
77.03920	1.3
79.05482	0.9
81.03407	3.6
93.03390	0.8
95.04948	2.5
97.02860	1.0
97.06490	1.3
98.23433	0.8
99.04452	1.3
105.03391	1.8
107.04953	3.2
109.02866	4.3
111.00816	3.5
111.04439	3.3
115.05453	0.7
117.03350	0.8
119.04910	2.4
121.02830	1.9
123.04416	56.6
124.04790	1.1
127.03899	100.0
131.04913	3.0
135.04398	30.1
137.02322	5.1
139.03880	66.4
140.04204	0.8
143.04913	1.0
145.02835	0.9
145.06432	0.8
147.04388	10.9
149.02330	5.6
149.05951	1.2
151.03894	14.3
153.01828	0.8
157.06464	0.9
159.04396	3.5
161.05937	5.0
163.03883	39.7
164.04364	1.0
165.05476	8.1
167.03365	9.1
169.06450	1.4
173.05966	3.1
175.03883	4.0
177.05417	4.6
179.03371	4.3
179.06935	0.7
181.04907	1.0
181.06424	1.1
183.04405	1.3
185.05919	0.8
187.03839	5.4
189.05435	3.0
191.03371	14.0
193.04932	3.8
197.05962	2.8
201.05452	8.1
202.06166	0.7
203.03363	11.4
203.07025	2.5
205.04922	3.5
207.06509	1.3
209.05997	0.7
213.05437	3.1
215.03378	1.2
215.06964	2.5
217.04826	1.5
225.05484	1.6
227.07130	0.9
227.74239	0.7
229.04941	9.4
231.06464	2.3
233.04411	8.8
241.04962	2.0
243.06546	3.2
245.04372	8.3
247.05998	22.3
251.05403	1.7
253.04935	1.7
255.06554	2.2
257.04407	12.6
258.05096	1.6
259.05981	13.2
259.08560	1.2
269.04395	3.5
271.05966	19.1
271.08881	1.2
273.07498	2.9
275.05469	19.8
279.06625	0.8
283.05884	8.7
285.07437	1.0
287.05466	29.2
289.06989	12.2
291.08585	11.4
294.01443	0.8
297.07431	1.4
299.05533	5.5
301.07010	17.2
303.08655	3.8
309.01758	0.7
313.07166	1.3
318.49130	0.7
327.08511	0.7
367.08438	0.8
371.07904	0.9
373.09198	1.9
379.08154	0.7
391.08487	0.8
399.06900	1.4
409.09128	27.8
409.14569	1.3
410.09311	1.1
411.10654	1.7
417.08484	0.9
421.09232	1.0
427.10083	5.7
435.10733	1.1
439.10138	1.2
569.14734	0.6
579.20361	3.4
609.30902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98959	1.1
69.03412	1.2
69.53229	1.4
71.04993	1.2
71.07185	1.1
74.44704	1.0
84.94898	1.2
85.02890	1.9
97.02941	1.2
97.06519	1.8
98.97557	1.5
115.58347	1.3
116.37169	1.2
117.07013	2.0
123.04369	1.4
145.06425	3.3
153.01779	2.0
167.07024	25.7
173.05995	5.4
181.04912	6.8
184.16100	1.4
233.08092	1.6
247.02480	2.3
303.01321	1.6
312.99799	1.5
350.19543	1.4
360.05130	1.3
363.97595	1.2
369.10245	1.5
373.09073	5.2
387.14331	4.7
391.44092	1.2
399.07141	6.3
399.11557	1.6
417.15350	3.4
429.95517	1.5
579.18414	100.0
579.33380	3.4
580.18341	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	579.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51886	0.2
55.05499	0.3
57.88448	0.2
67.05500	0.3
69.07070	0.6
79.05487	0.3
81.07020	0.3
84.18071	0.2
85.02930	0.3
91.05469	0.3
91.65070	0.2
93.07055	0.4
95.04955	0.3
95.08601	0.7
100.11244	0.3
105.07023	0.3
109.10135	0.5
121.10112	0.2
131.08574	0.2
133.10124	0.2
145.10086	0.2
147.11722	0.2
149.04498	0.2
156.38882	0.2
159.04198	0.5
168.59300	0.2
175.03741	0.3
204.07594	1.2
210.14893	0.2
298.30951	0.2
322.45078	0.2
325.10312	0.2
337.10638	0.2
349.10233	0.3
352.12885	0.6
364.12796	0.7
367.11493	0.5
378.08218	0.2
380.30136	0.2
381.13379	0.2
382.13913	0.4
383.14603	0.5
398.31671	0.5
416.32373	0.8
417.32776	0.4
529.50470	0.2
531.20209	0.2
549.20782	1.1
561.20532	0.4
577.22156	0.3
578.42639	0.3
579.21918	100.0
580.22302	4.7
597.29675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2203
Annotation	ES-242-4 atropisomer
Peak:m/z	Relative Intensity
60.50264	0.3
61.52849	0.3
70.71214	0.6
72.97974	0.4
95.08608	0.3
114.13889	0.4
115.99767	0.3
126.70515	0.3
131.80252	0.3
133.06502	0.4
159.04167	1.9
167.07036	0.6
169.37163	0.4
200.80536	0.4
316.05878	0.4
325.10281	0.3
331.08096	0.9
382.14078	1.0
579.21960	100.0
580.22382	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	579.2195
Annotation	ES-242-4 atropisomer
Peak:m/z	Relative Intensity
69.13993	3.7
74.73113	0.5
74.95714	0.5
85.02884	0.7
131.15735	0.5
137.05940	1.2
146.03314	1.5
151.07474	0.6
153.01773	1.5
159.04124	1.2
189.05074	1.0
204.07547	7.3
227.06804	1.2
245.07877	2.9
262.69888	0.6
277.10428	24.9
279.06244	1.9
294.08624	9.7
295.09070	1.3
325.10416	100.0
326.10767	1.9
331.15414	0.6
366.13000	0.8
561.21173	1.5
579.21942	64.2
580.22021	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.1
51.02381	0.3
53.03944	0.4
55.01850	0.2
56.05058	0.1
67.12221	0.1
68.05031	1.2
69.03425	1.9
69.13109	1.0
70.06562	0.1
71.04989	4.2
79.01847	2.1
80.84848	0.1
81.03401	0.9
81.75771	0.1
82.06578	0.2
84.04488	1.4
85.02888	0.5
86.06041	0.4
91.38953	0.1
96.04485	8.6
97.02885	2.1
97.05331	0.2
98.06040	0.2
98.23058	0.7
107.01318	0.6
108.04421	0.2
109.02882	0.5
110.06021	0.6
114.05518	100.0
115.05859	0.8
125.02352	1.6
126.05489	0.6
127.03916	0.7
138.05501	0.4
143.03377	3.1
153.01813	57.8
153.02870	2.8
154.02132	1.0
154.05075	0.2
156.06544	3.4
171.02910	0.5
180.06606	0.2
207.11412	0.2
222.07677	0.3
240.08563	0.7
248.09088	0.2
258.09653	0.7
266.06567	65.5
267.06873	1.4
297.05997	0.5
308.07663	1.7
315.07129	0.8
392.09659	0.6
410.10815	1.5
428.11789	0.5
497.45349	0.2
561.28802	0.2
562.11926	1.0
562.29010	0.5
580.12311	2.1
580.29279	0.1
592.01093	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	580.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
54.30335	3.2
55.01861	12.7
55.05507	32.3
57.03424	24.9
57.07071	4.7
59.05003	6.0
61.02923	10.6
67.05500	90.1
69.02018	3.2
69.03419	11.3
69.07063	53.0
69.13351	10.3
69.13757	10.3
70.06596	3.9
71.04977	11.4
73.02905	4.4
79.05489	52.9
81.03414	16.5
81.07047	67.4
83.04970	13.2
83.08614	15.8
84.23386	3.5
85.02894	12.8
85.06561	6.9
90.03147	3.8
91.05470	63.2
93.07027	45.6
95.04943	18.5
95.08598	51.2
97.02879	11.7
97.06522	22.6
97.10162	11.5
99.04451	3.7
103.03947	4.5
105.07032	40.1
107.04969	11.8
107.08583	34.9
109.06495	8.3
109.10148	52.3
111.08080	5.7
117.07014	14.3
119.08561	34.1
121.06459	5.9
121.10101	21.4
123.08028	8.7
123.11708	5.4
125.09617	7.5
126.15524	4.1
129.06996	6.2
131.08565	16.0
133.10121	32.4
135.08041	7.2
135.11664	12.3
137.09628	12.2
143.08528	3.6
145.10132	18.2
147.11665	14.4
149.09637	19.8
149.13242	6.1
151.11203	6.1
155.08572	5.2
159.11696	16.1
163.11191	13.1
165.12677	3.8
169.10159	5.7
171.10167	15.6
171.11620	5.2
173.11722	11.4
173.13191	6.9
175.11258	5.3
177.12720	4.5
179.14279	7.4
182.92221	3.7
187.13264	3.9
189.11183	5.1
193.12219	5.3
211.13249	4.9
211.23820	3.6
229.14337	34.9
243.15915	9.4
253.18013	6.5
255.15759	8.2
257.18973	13.9
267.15601	7.9
275.20004	38.9
291.19400	7.2
349.23666	100.0
350.23941	4.4
563.99335	3.8
580.34167	8.5
581.29352	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	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56874	7.5
53.60053	7.9
55.01870	14.9
55.05510	49.6
57.01949	6.8
57.03438	16.2
57.07076	9.4
58.19959	7.2
67.05506	47.8
69.03431	19.5
69.07059	32.9
69.29019	31.2
69.29434	13.8
70.06596	11.1
71.05004	12.6
71.80632	7.1
73.02911	9.0
75.20368	7.6
79.05502	60.6
81.03408	29.0
81.07050	83.8
83.04957	29.3
83.08613	28.9
84.85480	7.8
85.02895	21.6
85.06540	12.9
88.71176	7.4
91.05481	29.4
93.07045	59.5
95.04981	35.9
95.08595	26.9
97.02898	18.7
97.06505	36.8
97.10160	27.0
99.08080	8.9
100.11253	49.7
105.07018	32.9
106.85345	6.6
107.04955	8.0
107.08580	34.7
109.06541	9.1
109.10167	26.9
111.04434	15.9
112.07602	8.5
115.07562	10.1
117.07014	19.9
119.08604	47.7
120.20001	7.4
121.06541	13.9
121.10142	28.9
123.08067	19.7
125.02321	8.3
125.09637	21.6
126.40383	9.2
127.03931	7.5
128.07097	9.8
129.06993	11.4
131.04927	13.2
131.08557	17.8
133.10114	19.8
133.11021	8.3
135.08006	14.2
135.11699	15.9
137.05992	14.9
137.09604	8.1
145.10144	21.3
147.08049	11.9
147.11684	14.5
149.09621	14.2
149.13245	9.3
150.09171	17.1
153.01794	10.6
159.08035	11.9
159.11678	11.1
161.09662	10.7
161.13326	8.6
163.11159	17.1
165.09076	9.3
167.06999	14.1
175.11188	9.9
182.15428	37.1
184.16969	20.3
189.11206	20.2
193.12216	9.5
210.14906	29.8
226.19205	9.8
227.12752	13.8
233.00462	7.6
263.28500	7.7
269.17584	12.7
273.18454	43.8
291.19482	70.9
309.20563	10.5
310.25046	8.5
337.21222	14.4
365.23181	100.0
383.24210	44.5
537.40143	42.1
580.34015	28.6
581.24860	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	580.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.1
55.05508	21.5
56.84964	3.2
57.03432	11.7
66.04726	3.5
67.05497	50.2
69.03397	5.1
69.07062	13.8
70.06599	6.3
71.04977	3.5
79.05475	25.7
81.03406	60.4
81.07048	28.6
83.04976	7.2
83.08174	3.2
83.08596	16.5
85.02886	4.5
91.05461	20.3
93.07040	26.9
95.04959	25.9
95.08595	13.2
97.02881	6.3
97.06532	7.1
97.10151	21.8
98.22723	10.7
105.07016	20.1
107.04935	20.0
107.08601	13.9
109.06509	15.3
109.10153	19.5
111.08085	7.6
117.06970	4.3
119.08591	22.6
121.06500	12.9
121.10143	15.8
123.08094	7.1
125.09663	17.0
129.07014	12.2
131.01401	3.5
131.08568	14.1
133.10088	5.7
135.08075	10.7
135.11681	3.9
139.11205	4.5
142.35432	3.3
145.06429	7.9
145.10103	6.9
147.11671	5.4
149.09543	8.5
151.89716	3.8
157.10136	7.9
163.11111	5.6
171.10306	3.3
173.11784	3.4
175.11099	6.9
189.11169	8.3
191.14311	4.3
193.12238	14.8
219.13806	17.8
229.14282	18.3
233.15311	4.9
259.15472	7.0
267.15878	44.9
273.14682	4.5
293.17377	8.4
348.45618	3.7
367.22488	20.8
383.24298	9.4
385.23837	34.8
403.24432	10.5
441.26096	10.4
459.27417	100.0
460.27435	5.8
477.28430	80.5
491.29782	8.3
495.29068	5.0
581.29419	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	580.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
54.73896	2.9
54.74153	2.8
55.01855	4.2
55.05510	31.8
56.87150	2.6
57.03438	28.3
57.07082	4.7
65.03942	5.7
67.05502	90.8
68.02048	3.1
69.03426	6.3
69.07064	23.2
69.72655	6.4
69.73045	4.8
71.04982	9.1
79.05491	72.5
81.03415	84.7
81.07048	91.3
83.04984	31.4
83.08614	29.5
85.02905	32.1
89.54813	2.5
91.05478	61.6
93.07038	59.8
95.04963	41.6
95.08607	55.0
95.69136	2.9
97.06529	6.7
97.10152	5.6
98.23384	5.3
103.39408	3.1
105.04501	5.7
105.07025	40.4
107.04927	9.5
107.08588	29.3
109.06567	6.5
109.10114	19.9
111.03179	3.0
111.04397	3.1
111.08062	15.9
115.05477	3.6
117.07013	4.7
119.08575	31.5
121.10124	27.5
123.08043	4.9
123.11755	6.9
129.07016	11.2
131.08586	28.8
133.06427	3.8
133.10138	19.4
135.11684	10.0
142.07747	4.4
145.10046	6.8
145.44963	2.8
147.08078	4.7
147.11682	23.0
149.09590	4.8
149.13148	6.1
157.10143	12.6
159.11710	3.2
161.13258	3.7
163.14816	3.1
173.13223	5.9
175.11153	19.3
193.12241	66.1
196.22623	3.0
201.11148	3.0
211.13287	92.7
261.22202	8.1
267.15952	17.5
285.16943	84.6
335.25790	100.0
335.84247	3.8
527.37244	8.2
545.38293	58.2
546.39056	4.5
579.47882	3.2
580.39001	6.9
581.11615	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	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87558	17.5
55.05497	22.2
64.24339	14.7
67.05499	75.3
69.07082	32.2
69.20343	16.5
69.26294	21.7
69.26575	100.0
69.27874	16.4
72.45356	15.5
79.05478	45.8
81.03430	31.7
81.07053	69.6
83.08633	25.5
91.05472	39.3
93.07050	71.4
95.08591	52.3
105.07040	58.7
107.08580	36.6
109.06592	15.5
117.07089	21.6
119.08595	42.1
121.10135	28.7
124.53907	17.7
129.51370	17.2
131.08594	39.1
133.10156	33.6
145.10156	35.4
147.11671	24.8
149.13229	32.5
149.32384	19.9
151.11412	18.9
154.68370	17.3
159.11717	29.9
187.14621	20.7
259.20569	25.5
267.16019	42.0
269.17355	37.2
435.14853	19.8
481.20023	17.0
527.37238	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	23.3
69.21311	40.8
69.21712	100.0
72.50224	18.2
79.05482	28.1
81.03384	26.0
81.07030	29.7
83.04945	16.7
91.05461	25.6
95.08575	24.9
98.23094	91.6
98.23605	16.1
105.07050	16.8
187.13185	16.2
193.12245	22.3
211.13269	38.9
227.87108	18.7
285.16980	28.4
335.25909	85.0
545.37927	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.5
55.05500	41.0
57.03429	22.6
60.48685	6.4
65.03914	11.2
67.05494	77.1
69.07059	21.1
71.04981	12.9
79.05484	66.4
80.18803	6.3
81.03410	84.2
81.07056	90.5
83.04977	24.1
83.08631	21.0
85.02915	17.0
85.06552	6.9
91.05466	67.8
93.07040	79.6
95.04956	38.5
95.08588	54.3
97.06512	15.0
97.85402	6.1
105.07024	44.8
107.08597	43.6
109.06509	11.1
109.10153	25.1
111.04443	9.1
111.08083	14.1
117.07032	9.5
119.08550	46.7
121.10126	29.4
123.08073	9.5
129.07001	16.9
131.08566	14.6
133.10118	32.9
135.11728	19.9
145.10139	15.6
147.11646	13.8
149.09555	12.4
155.08609	9.3
157.10147	28.4
159.11740	11.2
175.11150	19.6
193.12218	56.4
195.11792	7.4
211.13237	83.8
234.22433	6.8
253.14476	8.3
255.15968	14.9
267.15750	15.9
280.03735	6.9
285.16925	63.4
326.32153	8.2
329.83386	6.9
335.25803	100.0
545.38574	75.2
581.39539	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	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01981	14.7
55.05507	37.3
67.05501	85.2
69.07069	41.1
69.20670	52.1
69.21081	37.2
71.37428	15.1
79.05483	86.7
81.03408	24.1
81.07050	100.0
81.40033	15.0
83.08610	19.6
91.05463	86.5
93.07037	90.3
95.04955	27.7
95.08603	59.1
97.50540	14.3
105.07037	89.4
107.08600	41.6
109.10175	24.7
114.23981	18.0
119.08594	43.8
121.10156	45.4
131.08568	37.5
133.10126	57.2
135.11719	34.9
142.20651	17.0
142.55379	15.9
145.10118	21.3
147.11720	28.7
148.67445	14.8
149.13254	29.0
157.10153	16.2
159.11703	35.0
159.46593	15.7
161.13258	22.7
171.11647	22.2
175.14813	16.8
183.35185	19.2
259.20633	75.2
267.15894	50.0
269.17493	67.3
333.24323	53.0
335.25757	41.1
507.49866	17.4
527.37109	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06389	5.3
55.01870	6.2
55.05501	29.7
57.03422	14.0
67.05498	47.9
67.88339	5.2
69.03409	7.5
69.07062	12.8
69.97753	8.8
69.98069	5.4
79.05490	42.3
81.03400	37.8
81.07052	58.0
83.04965	13.3
83.08617	19.3
85.02902	16.7
91.05484	30.2
93.07034	49.1
95.04968	18.2
95.08588	31.8
97.06490	5.7
98.22712	7.4
105.07004	19.1
107.04942	7.8
107.08588	16.6
109.10167	14.0
111.08086	5.4
117.07050	7.7
119.08590	16.9
121.10135	15.1
123.11694	7.7
131.08546	13.8
133.10126	15.3
135.11700	8.4
145.10143	8.5
147.11699	9.9
157.10176	11.3
175.11255	11.2
193.12248	29.1
198.98071	4.8
202.11613	5.1
211.13306	44.0
213.93439	5.2
232.93840	6.2
261.22031	9.5
267.15991	13.7
285.16959	38.7
335.25769	100.0
380.04910	6.0
413.84769	6.5
438.63559	6.5
484.71002	6.8
486.16266	6.7
527.37335	7.3
545.38330	90.6
580.38776	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	581.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55059	0.5
51.58728	0.5
56.15089	0.5
56.96505	6.1
56.96803	1.1
58.98294	0.6
66.35039	0.5
69.03376	0.8
76.34134	0.5
81.03373	0.6
81.15048	0.5
81.64050	0.5
84.95958	1.1
98.97581	3.8
101.24834	0.5
109.74290	0.5
110.97492	0.7
112.99039	0.6
116.98537	2.2
121.55479	0.5
140.00020	0.5
158.99597	1.2
175.79254	0.5
177.00676	1.2
187.00546	1.1
203.00136	2.8
205.01698	2.8
212.98518	0.5
215.00096	1.9
215.68282	0.6
219.01608	0.8
221.01205	3.7
223.02673	0.7
223.20987	0.6
230.99544	1.6
233.01279	3.1
237.00612	1.0
239.02127	0.9
246.99057	2.1
249.00684	5.8
258.99100	2.3
265.00192	5.3
267.01703	1.8
268.97510	1.7
274.98505	1.7
277.00183	12.5
280.99530	0.6
283.01181	1.1
284.97012	0.7
286.98541	4.9
289.00180	1.0
292.99625	3.8
295.01279	5.0
302.98215	3.1
304.99655	21.2
311.00580	2.1
312.96671	0.9
314.98016	1.4
318.97687	0.7
320.99207	7.4
323.00732	18.0
324.00916	1.2
330.97665	3.7
332.99170	10.8
339.00143	4.1
340.95840	9.4
348.98691	8.0
351.00192	7.7
358.96973	9.6
363.00174	0.7
366.99692	5.3
369.01062	0.7
372.98550	1.1
376.98120	100.0
377.98529	3.6
390.99805	2.1
394.99191	97.4
395.99847	2.8
399.99405	1.0
400.98077	24.7
412.99710	0.7
418.99179	94.7
419.99597	3.3
437.00266	16.2
438.00293	1.0
442.01154	1.3
461.00363	3.4
521.02307	2.8
581.04285	1.1
581.19006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71677	2.7
55.01853	8.0
57.03428	4.1
62.34526	2.5
64.24580	2.7
68.99767	9.8
69.03408	3.4
81.03390	9.1
85.02904	10.0
97.02885	6.3
103.03922	4.5
107.04926	10.4
109.02898	6.9
111.04418	4.1
115.97015	2.8
119.04926	4.1
121.02853	7.7
125.02358	3.7
127.03843	3.6
133.06546	4.8
135.04395	22.9
137.02332	100.0
137.03357	5.7
137.05948	10.2
139.03902	4.2
147.04404	4.2
151.03935	3.1
153.01834	12.8
159.04388	4.2
161.02332	6.3
163.03871	7.6
171.04376	3.9
173.05989	4.0
175.03859	5.8
177.01810	6.6
177.05428	3.4
179.03371	11.5
179.06923	3.6
183.02924	5.2
187.03851	7.5
189.01794	8.2
189.05383	3.5
191.03378	8.1
195.02859	10.2
201.01704	3.8
201.05461	6.7
203.03363	21.6
205.04912	10.3
207.02875	10.9
211.03931	4.7
215.03384	10.5
217.04980	10.0
219.02843	11.4
221.04301	5.0
227.03291	3.8
229.04948	8.6
231.02863	11.2
233.04366	8.3
241.05090	4.3
243.02921	8.5
245.04333	3.9
247.06018	3.1
249.03880	6.9
253.04922	3.9
255.03017	3.2
255.06427	3.1
257.04321	4.1
257.13766	6.9
261.03867	16.1
267.68655	3.0
271.06030	3.2
272.06076	3.3
273.03970	9.5
283.05930	4.7
285.03812	8.6
285.07013	3.8
295.05844	6.0
299.05438	9.8
310.04703	13.7
310.07996	2.8
311.05444	69.5
311.08984	4.6
312.06070	5.9
313.07022	12.4
315.04822	5.0
321.07571	4.5
323.05435	54.6
323.09109	4.2
324.06207	11.3
325.07037	15.1
327.04990	4.2
329.06476	4.2
333.05988	7.4
335.05469	6.7
336.06110	6.3
337.06989	33.7
338.07550	8.5
339.04672	3.6
339.08575	4.5
341.06549	58.4
345.06174	4.8
349.06891	14.8
350.07614	3.5
351.08698	19.4
353.06519	48.0
361.07053	10.7
363.07813	5.3
365.06497	48.6
367.07962	19.7
371.07452	11.1
375.07700	4.3
377.06503	25.6
379.08026	21.7
383.07516	11.4
389.06390	10.8
391.08090	11.2
393.08072	12.2
395.07553	71.7
407.07590	51.8
411.09134	10.0
413.08698	20.6
419.07413	14.4
421.09286	4.9
425.08609	73.6
431.09012	8.5
437.08496	8.7
443.09729	79.2
445.09039	3.6
449.08459	13.2
455.09488	9.7
461.09940	18.3
467.09775	15.4
473.10556	20.1
479.09592	11.3
485.10880	14.9
491.10007	12.0
497.10663	40.4
509.10626	18.2
515.11774	17.6
527.11859	57.0
529.34894	3.5
545.12750	29.1
563.13647	13.0
581.14551	12.3
581.21674	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	581.1499
Annotation	Carlinoside
Peak:m/z	Relative Intensity
55.01863	6.2
57.37427	2.1
68.99792	2.4
69.80669	3.2
69.80995	5.1
81.03423	3.6
85.02908	4.8
100.71588	2.2
107.04943	5.2
121.06520	2.6
129.11433	2.3
131.04904	2.7
135.04391	13.1
137.02335	42.7
137.03357	3.1
147.04404	4.0
153.01797	3.5
161.02342	7.7
177.01863	5.0
179.03398	4.5
187.03929	3.3
189.01805	15.3
189.05498	2.4
190.02510	2.6
191.03381	8.2
195.02890	10.5
201.01787	3.0
201.05481	2.5
203.03363	22.1
205.04955	5.3
207.02919	8.9
215.03401	9.0
217.05009	6.2
219.02878	6.7
221.04382	3.4
227.06595	2.4
229.04897	6.3
231.03023	4.4
233.04561	3.0
241.05011	3.5
243.02910	3.6
245.04303	3.2
269.04449	2.5
283.06046	4.4
284.06766	5.1
285.11008	2.3
293.75690	2.5
295.06140	6.6
297.07718	5.0
299.05466	6.9
299.84152	2.4
309.07465	6.3
310.04675	23.7
311.05463	92.0
312.06097	8.2
313.07053	8.3
323.05466	63.3
324.06177	15.9
325.07098	20.1
329.06516	6.9
333.07565	5.8
335.05377	8.1
336.06256	8.0
337.03363	3.9
337.07034	49.3
337.10800	3.9
338.07751	16.3
339.04895	2.3
339.08606	7.4
341.06522	85.2
342.74475	2.3
345.07501	4.4
349.07074	26.1
350.07501	3.5
351.04898	3.0
351.08676	21.0
352.05801	3.7
353.06500	63.9
355.07944	3.9
361.06946	9.9
363.08597	14.6
365.06540	55.1
365.10550	3.2
367.08075	29.1
371.07721	7.0
375.09055	4.3
377.06454	30.2
377.10797	3.1
379.08154	17.9
381.09860	11.1
383.07416	10.1
389.06482	10.1
390.07266	2.7
391.08090	18.0
393.09845	4.6
395.07584	100.0
396.07886	3.7
401.06873	2.6
403.07767	5.8
405.09714	5.8
407.02362	2.7
407.07587	41.5
409.09250	4.6
413.08618	51.5
414.08994	3.0
415.08438	3.0
419.07520	20.4
421.09128	7.7
425.08652	56.4
426.08551	3.2
431.09711	20.8
433.09216	4.5
435.10504	3.9
437.08426	14.3
443.09775	60.3
445.08957	5.6
449.08536	20.1
455.09628	15.7
461.10416	25.4
467.09677	36.8
473.10754	37.7
479.09805	7.2
485.10742	27.4
491.09735	15.1
497.10794	45.2
509.10733	35.6
515.11853	30.5
527.11792	53.1
545.12878	48.3
563.13855	26.4
581.15057	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	581.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01609	0.9
55.01865	10.4
55.21598	0.5
56.33521	0.6
60.54217	0.5
65.03933	25.1
67.05491	4.3
69.03432	0.7
70.54311	1.0
71.01334	1.5
75.64787	0.6
77.03902	0.9
79.05495	3.4
81.03419	1.2
82.04180	4.1
85.02894	2.7
88.03915	0.5
91.05453	2.9
93.03394	10.9
94.04175	0.8
95.01297	3.5
95.04952	5.4
97.06513	1.3
97.66045	0.5
102.04606	0.6
103.05456	0.7
105.03379	0.7
105.04505	0.9
105.07023	0.9
107.04957	7.5
108.02075	3.9
109.02885	0.6
110.03645	21.6
111.04430	25.1
112.97268	0.6
115.05434	2.1
117.07019	1.0
118.04110	1.2
118.88633	0.5
119.04920	1.2
121.02848	22.0
121.03944	1.7
121.06470	1.8
122.03632	0.7
123.04409	1.9
124.05235	1.1
125.05975	26.7
131.04944	3.3
133.02835	1.9
133.06480	0.8
135.04413	6.0
137.02266	0.6
137.05974	3.1
138.03065	2.5
141.05452	1.5
144.05678	1.1
145.06461	4.1
147.04411	1.9
147.08026	1.3
149.02328	1.2
149.05971	2.1
150.06734	0.8
151.03889	67.0
151.04988	6.7
152.04182	0.5
152.06163	0.8
153.05443	90.9
154.05817	1.4
159.04358	1.0
160.05196	1.1
161.05948	2.6
162.03000	0.7
163.03876	2.8
163.07539	0.8
165.05470	2.0
165.06987	4.1
166.07773	1.0
167.07022	5.6
167.08495	1.4
169.06525	0.7
171.04350	0.5
173.05986	3.6
174.06735	2.2
175.07541	2.5
177.05461	2.4
177.07011	1.6
178.06210	4.8
178.07762	6.3
179.07074	1.2
179.08493	4.8
181.04947	1.4
181.06421	6.0
182.53799	0.5
183.08072	0.7
184.41464	0.5
185.05948	0.7
187.03865	0.6
187.07518	1.2
188.04684	0.7
189.05449	0.8
189.06946	3.8
190.07764	2.2
191.07001	1.2
191.08524	2.5
192.05756	0.7
193.06534	1.3
194.07213	4.3
195.06459	2.1
195.08051	2.8
196.07237	2.9
196.08846	1.9
197.06003	1.4
198.06693	1.0
201.05417	1.6
202.06189	2.3
202.07817	0.6
203.06981	4.0
203.08578	0.6
205.04875	1.7
205.06519	4.3
206.07233	6.1
207.08038	9.0
208.08882	1.1
209.05962	2.1
209.09587	1.5
210.06758	1.4
211.07562	2.0
212.08281	0.6
215.06990	3.4
217.06479	0.9
218.07275	3.6
219.08054	3.9
220.05127	1.7
220.08589	0.7
221.05957	4.1
221.09489	3.2
222.06743	3.3
223.07500	5.0
224.08261	7.6
225.05481	0.6
225.09064	1.2
229.04811	0.7
233.05971	1.2
234.06685	8.0
235.07507	7.7
236.04617	0.8
236.08235	4.1
237.05412	1.7
237.09067	6.5
237.11159	0.8
238.06158	1.5
238.10005	0.9
239.03442	0.5
239.06963	1.3
239.10638	2.9
241.08690	0.6
245.05667	0.9
245.08070	14.2
246.06734	0.8
247.07487	1.9
248.04868	0.6
248.08235	1.5
249.05513	1.6
249.09056	8.3
250.06224	1.7
251.06984	5.6
252.07776	27.8
253.08453	5.6
254.09274	0.6
259.07611	0.7
261.09082	0.6
262.06241	3.2
263.06970	5.8
264.07709	5.7
265.05429	0.8
265.08536	6.8
266.05927	0.7
266.09369	3.1
267.06851	1.0
267.10114	13.7
268.07544	0.6
269.08060	1.8
275.07016	1.5
276.07770	1.1
277.08527	6.7
278.05829	1.0
278.09155	1.3
279.06427	2.8
279.10025	1.4
280.07297	6.2
280.10455	1.1
281.08035	6.9
282.08789	1.0
283.09686	0.7
289.08548	1.2
290.05679	0.6
291.06436	1.7
291.09915	1.0
292.07303	3.8
293.08017	4.5
294.08899	2.6
295.09607	21.1
296.10172	3.4
297.07568	1.6
297.10962	1.0
305.07996	2.0
306.08780	1.1
307.06180	0.9
307.09631	4.1
308.06921	1.2
308.10300	0.9
309.07483	2.1
309.10892	1.1
310.08368	0.8
311.09073	1.3
312.10007	1.6
318.08850	1.5
319.09485	1.0
321.07498	1.2
322.08499	0.9
323.09085	84.2
324.09677	5.7
325.10681	4.5
327.12054	2.8
335.09149	2.2
336.09760	1.6
337.10663	4.0
339.12143	3.0
340.09213	0.8
349.10620	2.4
351.12137	1.8
353.10049	3.7
355.11700	100.0
356.12033	3.5
357.13449	0.9
363.12000	0.7
367.11707	10.8
368.12509	1.9
369.13239	0.8
385.12750	3.4
393.12830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2353
Annotation	His Phe Tyr Asp
Peak:m/z	Relative Intensity
51.51430	0.3
72.58064	0.3
91.05481	0.3
105.07037	0.3
119.42564	0.3
137.05959	0.6
151.03845	0.4
151.07408	0.3
153.01822	0.4
159.04167	4.8
161.05963	0.6
167.07086	0.5
171.88843	0.3
180.57141	0.3
183.11575	0.3
203.06747	2.4
204.07535	2.2
208.42207	0.3
217.08281	2.7
251.99380	0.4
325.12524	0.7
369.13055	2.0
383.14536	5.2
384.15491	0.8
399.13953	0.6
533.21533	0.4
547.98639	0.4
581.23535	100.0
582.23871	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	582.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01868	7.9
55.05507	32.0
57.03437	25.2
57.07069	6.0
64.88760	3.2
65.03945	3.4
65.98321	3.0
67.05158	6.6
67.05497	99.7
69.03444	6.9
69.07064	40.6
71.01365	5.7
71.04986	6.5
78.34506	3.2
79.05480	90.4
81.03428	8.2
81.07051	83.4
83.04965	21.0
83.08623	18.4
85.06528	7.1
91.05473	66.5
93.06445	6.0
93.07036	100.0
93.07603	6.8
95.04978	22.8
95.08607	39.0
97.06525	27.3
97.10185	17.5
99.08112	4.3
102.38591	2.8
103.05494	4.0
105.04515	5.5
105.07027	44.8
107.04932	11.7
107.08588	68.4
109.06523	11.1
109.10142	12.0
111.08077	8.5
117.06977	20.0
119.08553	36.5
121.06504	6.7
121.10143	27.8
123.08071	7.0
123.11672	4.5
125.09587	3.3
129.06999	7.1
131.08531	19.5
133.10126	30.8
135.08057	7.0
135.11681	72.8
135.12646	6.1
135.74658	3.6
137.09612	6.2
141.06970	5.1
143.03041	3.6
143.08499	7.7
145.10126	23.5
147.11684	15.2
149.09610	19.0
149.13232	8.0
155.08557	4.3
157.10178	3.7
159.11681	20.3
161.13268	5.3
163.11180	17.1
169.10078	4.5
171.11696	6.0
173.13199	6.4
179.14317	5.5
181.12177	19.2
183.11667	7.0
185.13351	4.0
187.14824	4.4
195.13789	12.1
197.13306	3.8
199.13176	4.0
212.37318	3.6
229.19380	3.8
233.15350	3.7
239.17953	4.2
255.01056	3.7
255.15877	80.9
257.19003	10.9
269.17520	13.3
275.20078	26.6
279.68210	3.6
349.23523	18.2
435.27255	30.7
449.28961	84.1
450.29355	3.4
481.15198	3.4
489.31985	3.4
529.35321	18.4
547.36145	3.7
582.39880	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	582.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.0
55.05523	32.7
57.03431	21.8
67.05502	99.8
67.05857	5.2
69.03409	6.2
69.07061	34.0
70.44790	4.9
71.05000	8.2
71.41934	5.5
74.33635	5.1
75.61786	4.9
79.05490	71.6
81.03414	11.2
81.07056	95.7
82.07430	5.6
83.04983	15.8
83.08621	13.8
85.06548	6.5
85.40343	4.7
91.05471	47.7
93.07042	84.3
95.04962	19.0
95.08588	32.1
97.06506	27.3
97.10166	13.9
97.67168	4.3
105.07030	38.3
107.04940	10.8
107.08591	50.2
109.06527	12.9
109.10147	15.5
111.08071	8.5
113.09710	4.5
115.41690	4.6
117.07039	14.6
119.08572	26.9
121.10166	25.2
123.08118	7.0
129.06989	8.0
131.08574	18.0
133.10136	27.4
135.08076	6.7
135.11682	69.1
137.09624	7.7
145.10071	24.9
147.11687	9.6
149.09622	14.8
149.13322	14.4
157.10101	5.6
159.11696	17.0
163.11197	14.3
175.01077	4.7
181.12245	15.6
181.62344	5.4
195.13759	9.3
209.16362	5.0
247.20514	7.1
255.15872	73.2
257.19159	5.8
269.17505	23.8
275.20029	28.8
349.23758	6.8
426.16492	7.1
435.27634	27.2
441.19147	17.0
449.28958	83.8
467.17151	17.9
469.18521	11.9
481.14960	17.0
496.17087	7.5
529.35156	14.3
582.40338	15.0
583.21747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	33.1
57.03427	20.7
66.15459	6.4
67.05492	60.1
69.07072	26.4
69.17068	39.1
69.72610	6.9
71.04961	8.0
79.05477	35.4
81.03425	47.4
81.07058	75.3
83.04974	13.0
83.08604	25.1
85.02901	14.3
91.05468	44.5
92.68317	6.7
93.07043	25.5
95.04951	27.0
95.08617	47.8
97.10176	7.8
105.07011	34.1
107.08596	19.4
109.10151	28.0
113.05988	9.7
119.08584	25.5
121.10143	13.3
129.07028	8.9
131.08545	12.9
133.10103	18.2
145.10002	10.1
147.11670	16.5
150.43524	7.1
157.10104	16.6
163.44942	7.0
175.11172	16.2
187.96939	7.2
193.12215	47.7
211.13289	67.7
267.15842	19.9
285.16910	70.8
337.27264	100.0
547.39850	68.1
582.40875	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40792	1.1
55.01870	3.9
65.03934	3.0
68.99794	6.2
69.03436	2.4
70.02518	3.3
70.64432	1.3
81.03385	2.2
84.37427	1.4
85.02897	6.9
91.05484	3.0
93.03415	1.8
95.04986	1.6
97.02891	4.2
98.23407	1.6
105.07045	2.1
106.80463	1.5
107.04969	4.4
109.02837	3.0
111.04442	4.0
119.04964	3.3
121.02854	100.0
122.03173	1.4
123.04445	2.8
127.03940	1.9
129.48216	1.4
131.04985	2.1
133.06456	1.7
135.04408	3.9
137.02495	1.5
137.05960	2.6
138.06262	1.8
139.03900	4.3
147.04404	3.8
151.03889	3.0
153.01823	7.6
159.04381	3.1
161.05954	1.7
163.03877	21.0
165.01860	4.0
173.02348	2.1
173.05960	2.4
175.03888	3.6
177.01819	3.7
177.05424	2.7
181.04955	3.0
183.02907	2.5
185.05910	1.4
187.03885	2.6
189.01871	3.1
189.05527	2.9
191.03381	3.7
193.04993	2.3
195.02809	6.8
201.05429	3.9
203.03401	4.1
203.07037	1.4
205.04918	6.9
207.02892	4.9
213.05434	2.4
215.03391	3.8
217.04955	8.2
219.02843	6.5
221.04492	1.7
225.03841	1.8
227.03410	1.9
229.04971	6.7
231.02849	14.4
233.04416	3.3
235.06027	1.9
241.04893	4.0
243.02827	8.0
243.06619	2.6
245.04402	2.6
247.05911	5.3
249.03894	8.5
255.02853	2.4
255.06537	2.1
257.04507	1.9
259.06018	2.7
261.03946	14.1
269.04437	1.6
271.06006	6.1
273.03946	5.8
277.07135	1.5
279.05011	2.3
285.03848	8.1
289.07089	2.6
291.05057	7.2
294.05283	2.1
295.05960	7.1
301.07162	3.0
307.05786	3.2
309.06171	5.8
313.07022	5.5
315.04947	5.2
321.07635	1.6
325.07019	2.8
327.04980	2.9
328.79523	1.5
331.08109	3.1
333.06107	4.4
337.07077	4.2
345.06110	4.9
349.06757	3.3
355.07919	2.5
357.06247	3.2
361.07004	2.6
363.06906	6.9
367.07944	3.1
375.07074	6.1
379.07922	7.6
391.08008	4.5
393.07892	11.7
397.08914	2.8
409.09052	9.6
411.09064	11.2
415.09985	2.2
421.09381	2.0
427.10052	6.1
431.56116	1.6
433.09424	4.2
439.10138	1.7
445.10931	5.8
451.09824	2.8
457.11203	1.6
463.09967	4.5
469.11063	1.9
475.11063	2.0
481.11142	7.9
493.11169	4.0
499.11700	2.7
511.12115	6.5
529.12970	3.7
547.13684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01854	1.7
60.36307	0.6
65.03934	3.1
67.01803	0.7
67.05488	2.8
68.99767	0.8
69.03436	0.7
71.01342	1.3
77.03926	0.7
79.05496	3.8
81.03410	2.5
81.07069	0.8
85.02889	1.6
89.44907	0.7
91.05472	3.1
93.03397	1.4
94.04189	1.8
95.04955	5.5
103.05457	20.4
103.06107	1.4
105.03397	1.4
105.07027	2.8
107.04947	6.3
108.02101	1.7
109.02851	1.1
111.04427	2.1
115.05466	4.6
117.07012	3.5
118.04153	4.0
119.04950	2.4
121.06505	2.3
121.37244	0.7
122.03655	4.5
123.04430	2.3
124.05197	0.9
125.06001	2.3
129.06992	1.2
130.04137	1.7
131.04922	27.9
131.05901	1.6
133.02846	1.9
133.06491	4.1
135.04410	2.3
135.08026	1.4
136.01572	0.8
137.05966	60.2
141.05473	2.0
143.04935	1.9
144.05736	0.8
145.06435	4.2
146.03616	1.6
147.04390	1.3
147.07977	1.2
148.05173	9.5
149.05975	3.0
151.03897	100.0
151.04980	8.5
153.05501	4.2
153.06619	0.7
155.05984	0.7
157.06519	1.4
159.04512	0.8
159.08038	0.8
160.05148	1.6
161.05977	5.0
163.03877	1.3
163.07539	18.9
165.05450	3.1
167.07042	10.9
171.04341	1.1
171.06590	1.4
173.05972	2.7
173.29564	0.7
174.06725	1.0
175.07545	5.3
176.04698	2.2
177.05461	3.1
178.06235	2.3
179.07016	1.3
181.04953	19.3
187.07518	2.8
189.05374	1.2
189.09019	0.9
190.06268	1.1
191.07014	85.5
192.07404	2.2
193.08607	1.6
195.06514	2.7
203.07033	2.4
205.06706	1.0
205.08641	2.8
207.06503	1.0
207.10158	1.2
209.08066	3.6
217.08461	1.6
219.10234	2.7
231.46538	0.8
233.08087	4.1
235.07607	0.7
235.09651	3.3
237.09068	2.1
246.06613	0.7
249.08955	1.1
259.09656	1.2
263.09131	8.9
265.08514	1.5
266.09213	0.8
267.10266	0.8
277.08652	1.1
281.07880	0.9
293.08121	1.1
295.09393	1.2
297.11038	0.9
299.12384	0.9
307.09579	1.7
309.11334	1.9
317.99051	0.7
323.09146	1.4
325.10492	1.7
327.12256	2.3
337.10666	1.9
338.60611	0.8
339.12137	1.0
351.12332	1.0
355.11816	8.0
356.12186	1.0
357.13290	2.2
369.13205	2.7
387.14359	14.4
524.34601	0.9
565.20166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01855	2.9
55.05507	0.7
61.49329	0.7
65.03936	26.4
67.05502	3.9
69.46175	3.0
71.01350	1.3
71.38255	0.6
72.08882	0.6
77.03926	0.8
78.04713	1.1
79.05472	3.9
81.03397	1.7
81.07055	0.8
82.04190	4.8
85.02888	1.7
91.05482	4.2
93.03400	10.8
94.04192	1.3
95.01309	3.0
95.04961	5.3
97.06535	1.7
98.22768	1.3
98.23415	1.6
103.05465	3.5
105.04514	2.1
105.07018	2.3
107.04928	5.3
108.02082	3.0
109.02862	0.9
110.03650	20.2
111.04434	29.8
115.05448	3.0
117.07015	1.1
118.04153	1.8
119.04931	1.8
119.08625	0.8
121.02857	18.6
121.03812	1.2
121.06494	1.5
122.03640	2.4
123.04409	2.4
124.05238	1.6
125.05982	25.3
128.06215	0.9
131.04926	5.2
131.24442	0.6
132.05727	1.0
133.02823	1.5
133.06456	2.6
135.04375	2.7
136.01512	0.8
137.02322	1.1
137.05963	22.1
138.03093	3.1
141.05431	1.6
143.04955	4.0
145.06459	3.0
146.07234	1.1
147.04408	2.3
147.07959	0.8
148.05156	1.2
149.02332	1.0
149.05949	2.6
151.03903	51.5
151.05017	5.2
151.07524	2.2
152.04349	0.7
153.05457	100.0
153.70520	0.7
154.05824	1.4
158.07278	0.7
159.08081	4.1
160.05228	1.2
161.05969	6.1
163.03946	1.5
163.07526	2.8
165.05539	1.5
165.06978	3.1
167.07033	25.1
167.08409	1.3
171.04387	1.1
172.05309	0.7
173.05998	1.6
175.07532	6.5
176.04768	0.8
177.05501	1.8
178.06218	2.0
178.07629	1.2
179.07010	1.8
179.08522	1.4
181.04956	7.9
181.06398	1.6
182.07277	1.6
183.08063	1.0
187.07523	4.1
189.05440	2.9
189.07022	1.6
189.09033	0.8
190.06253	1.2
191.07030	11.7
191.08600	1.3
192.07581	0.8
193.06485	0.9
193.08420	0.8
194.07280	2.8
195.06479	3.0
195.08090	3.0
197.05981	0.9
197.09625	1.7
198.06779	1.0
199.07538	1.9
202.07800	1.0
203.06883	3.2
204.07735	1.3
205.06493	2.3
205.08578	2.2
206.07268	1.5
207.08005	2.6
208.08797	2.1
209.06044	1.1
209.07932	1.6
209.09679	1.6
210.06743	2.8
211.07471	2.4
213.09123	1.1
215.07031	0.9
216.07820	4.2
217.08412	1.6
218.07248	1.9
219.08101	4.0
220.08775	1.7
221.05928	2.0
221.09671	1.3
222.06767	1.2
223.07512	4.0
224.08282	2.9
225.09048	3.2
226.06329	3.6
226.09793	1.1
227.06938	1.0
229.08591	2.0
231.08130	1.0
233.05948	1.0
233.09856	0.9
234.06808	1.5
235.07570	3.9
235.09543	1.0
236.08296	4.1
237.05321	0.8
237.09044	3.8
238.06261	2.4
238.09909	1.1
239.07011	5.2
239.10649	2.6
240.07808	1.3
241.08612	1.3
246.06721	1.1
247.07414	2.4
247.09660	14.6
248.08324	1.8
249.05379	1.1
249.09122	2.1
250.06201	0.9
250.10001	1.2
251.07018	2.4
251.10680	4.7
252.07799	1.8
253.08603	13.4
254.09326	3.4
261.09067	1.2
263.06979	1.6
264.07846	3.0
265.08536	3.8
266.09366	2.7
267.06653	1.6
267.10107	3.5
269.11691	5.1
273.11359	0.9
275.06912	1.4
276.07791	1.7
277.08597	2.8
278.09457	1.3
279.06607	0.9
279.10098	3.9
281.08002	2.9
281.11340	0.9
282.08820	2.4
283.09579	2.5
291.10156	1.2
292.07462	1.2
293.08115	2.0
294.08820	1.3
295.09479	3.6
297.11154	10.8
299.09055	1.0
305.08002	0.9
307.09595	9.9
307.12927	1.2
308.10254	2.1
309.11017	1.8
311.09229	1.1
311.12653	1.1
319.09631	2.5
320.10358	1.2
321.11169	1.7
323.09125	1.1
323.12555	1.2
324.09952	0.9
325.10669	51.8
326.11334	3.2
327.12231	2.8
329.13721	2.0
337.10712	3.1
339.12247	26.2
340.12723	1.7
341.13803	2.4
351.12210	7.2
352.13074	1.7
353.13708	0.8
355.11719	4.0
357.13275	58.2
358.13684	2.9
369.13312	6.3
370.13901	3.0
377.32141	0.7
387.14365	11.7
388.14828	0.9
410.13589	0.7
583.21381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01862	1.9
62.54153	0.9
64.21123	0.9
65.03931	3.4
67.49308	0.8
69.03407	1.6
69.52168	3.2
78.04701	3.1
79.05492	7.3
81.03411	8.9
81.07056	1.6
85.02923	1.2
91.05466	5.7
94.04189	6.4
95.04970	5.3
97.67472	0.9
98.23266	3.3
103.05466	4.1
105.04517	1.9
105.07020	10.7
106.04130	1.2
107.04951	14.1
110.03644	1.3
111.04436	2.3
115.05453	19.0
116.06237	1.3
117.07014	11.1
118.04166	1.2
119.04926	1.4
119.08597	1.3
121.06493	1.7
122.03648	11.9
123.04440	6.6
124.05228	5.3
125.06037	1.3
127.03841	1.4
127.05539	0.9
128.06224	2.0
129.07036	2.4
131.04918	6.7
131.08588	1.4
132.05734	1.8
133.02834	1.6
133.06483	9.6
134.03595	1.2
135.04401	1.6
135.30989	0.9
137.05974	100.0
138.03099	0.9
138.06226	1.0
141.05476	1.1
141.06941	1.6
142.36720	0.9
143.04918	2.5
144.05702	3.3
145.06487	18.7
146.03589	1.8
147.04407	2.3
147.08055	4.2
149.05945	3.0
151.03909	20.4
151.04999	1.8
151.07562	3.8
152.04691	2.8
153.05487	5.2
153.06905	1.0
155.06032	5.1
155.07106	0.9
156.05701	3.0
157.06453	1.6
159.04483	1.5
159.08076	2.2
160.05234	1.6
161.05966	14.1
165.06937	2.1
167.03340	2.5
167.07030	84.9
168.07344	2.3
169.06544	1.9
171.07948	1.4
172.05165	2.0
173.05954	13.3
174.06665	1.4
175.07545	7.7
176.04662	1.7
177.05499	4.3
178.06152	1.1
179.07033	4.3
179.08481	1.1
180.05556	1.4
181.04982	15.2
181.06473	2.4
181.08537	2.7
183.06503	1.3
183.08025	1.4
187.07516	3.7
189.05482	1.5
189.09024	1.2
190.06172	3.1
191.07047	5.4
192.07796	1.4
193.08611	9.2
195.06483	2.7
195.08119	1.7
197.05962	2.1
198.06734	1.2
202.06245	1.9
202.57600	1.1
203.07024	2.7
205.04878	1.2
205.08586	14.3
207.06491	12.1
207.08226	1.1
207.10126	3.7
208.05228	2.2
209.05934	1.8
209.08003	2.1
211.07507	3.8
212.08067	1.3
213.05502	1.1
215.07005	1.2
217.08548	10.9
218.09200	1.0
219.08253	1.5
219.10175	4.3
221.08163	3.1
222.06689	1.1
223.07585	1.5
223.09595	2.3
225.05536	1.6
226.06200	4.2
227.06964	1.6
231.08058	2.2
231.10135	1.2
233.06041	1.3
233.07918	5.9
234.06709	1.6
235.07503	2.6
235.09637	19.1
236.04634	1.6
237.05246	1.3
239.06943	1.6
240.07718	1.5
241.08591	6.8
247.07545	2.2
247.09685	2.4
248.08211	1.7
249.05446	1.3
250.09828	1.1
251.07036	1.6
253.08459	1.2
254.05714	2.7
255.06509	1.8
256.07071	1.0
257.08096	3.9
259.07504	1.4
261.09103	1.5
262.06274	1.2
263.06851	1.8
263.09238	1.5
264.07874	2.5
265.04831	1.0
265.08444	1.4
268.07315	2.5
269.08008	7.1
271.05823	4.7
275.06940	1.5
275.10461	0.9
276.07843	1.9
277.08609	2.1
278.09421	1.2
279.10040	1.4
280.07254	1.2
282.05270	1.1
283.09537	1.3
285.07635	1.5
286.08527	1.1
289.10648	2.7
290.09485	1.1
291.10117	2.6
292.07318	1.8
293.07986	2.4
295.09586	3.3
296.06909	1.8
297.07574	2.7
298.08444	1.5
299.05475	1.7
301.10861	6.1
304.07208	1.1
305.07904	1.9
306.08896	1.3
307.09531	4.9
309.11148	1.6
313.10739	2.2
314.07977	4.3
314.11139	1.0
315.12320	1.5
318.08881	1.3
319.09558	3.0
320.10245	1.4
321.07480	2.0
321.11148	2.9
322.08350	1.9
323.08987	2.6
323.12549	1.4
325.10767	2.1
327.12390	2.9
329.10144	14.8
330.11035	1.5
331.12057	5.3
334.08130	1.2
335.09183	1.3
336.09885	1.5
337.10690	4.1
339.08450	1.3
339.12265	2.4
341.14038	1.1
343.11887	1.9
349.10733	1.7
351.12289	3.9
352.08893	1.1
353.09988	1.4
353.13797	2.0
355.11783	4.5
357.13217	1.8
363.12177	3.1
367.11682	4.0
369.13333	5.2
371.14819	1.7
373.12628	2.2
379.11530	1.5
380.12366	1.3
381.13519	5.6
383.14972	4.0
385.12811	4.0
393.13245	2.9
399.14227	5.5
401.15970	1.8
409.12595	1.2
411.14291	6.8
417.15308	1.1
423.14191	2.3
429.15262	2.9
441.15347	4.1
459.16492	23.7
460.16641	1.9
480.32449	1.3
517.18738	1.7
523.20093	1.3
535.19269	2.6
547.19885	7.9
553.20380	7.2
565.20673	18.3
566.21106	1.9
583.21332	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	583.2169
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.03928	1.0
55.01852	1.4
56.04729	0.7
65.03943	2.1
66.04713	1.0
67.05514	0.8
69.03416	1.4
71.32616	1.2
77.03924	1.1
78.04697	2.2
79.05490	6.6
81.03413	9.3
81.07047	0.9
85.02851	1.0
91.05470	8.0
93.07059	1.0
94.04169	4.4
95.04945	3.8
103.05436	3.8
105.04464	1.0
105.07005	9.6
106.04154	1.9
107.04928	12.3
108.02149	0.8
109.06483	1.0
111.04436	1.2
111.32298	0.8
115.05433	13.4
115.73857	0.7
117.06994	10.3
118.04118	1.5
119.04913	1.4
119.08556	1.5
121.06469	1.3
122.03635	10.0
123.04412	5.6
124.05183	3.5
125.05980	1.5
127.03905	1.0
128.06194	1.7
129.06998	2.7
131.04892	4.8
132.05699	1.4
133.02841	1.4
133.06467	8.1
135.04291	0.8
137.05956	100.0
138.06273	1.3
141.06992	1.9
143.04953	2.2
144.05728	3.1
145.06454	16.0
147.08052	3.4
149.05980	2.8
151.03889	18.5
151.04979	1.9
151.07539	2.9
152.04601	2.5
153.01833	0.9
153.05435	3.0
153.06998	0.9
155.04910	1.3
155.06027	4.1
155.08539	0.8
156.05722	2.9
157.06480	1.7
159.04465	1.0
159.08057	2.4
160.05093	1.1
161.05940	12.4
163.07549	1.9
166.06337	1.5
167.07011	82.1
168.07321	0.9
169.06415	1.4
171.06541	0.9
172.05199	2.3
173.05962	13.9
174.06746	1.7
175.07513	5.7
176.04750	1.6
177.05394	3.8
178.06178	1.0
179.07022	5.4
180.05623	1.2
181.04948	13.0
181.06445	2.2
181.08607	1.9
183.08031	1.2
185.05975	0.8
187.07520	3.6
189.05426	2.3
190.06204	2.2
191.06984	4.8
193.08583	6.7
194.07254	1.0
195.06529	3.0
195.08078	1.0
196.05197	0.9
197.06055	2.1
198.06743	2.6
199.07413	1.1
202.06241	1.0
203.06961	2.4
205.08554	15.8
207.06448	10.0
207.08168	1.8
207.10136	2.9
209.05984	1.4
209.07912	1.2
210.06693	1.3
211.07591	1.9
212.08118	1.3
215.06874	1.5
217.08521	8.6
219.06483	2.5
219.10011	4.9
221.05943	1.4
221.08064	2.2
223.09715	2.0
225.05458	1.6
226.06229	2.7
227.06897	1.5
229.08545	1.9
232.08846	1.1
233.07927	6.3
234.06728	1.3
235.07553	1.9
235.09607	18.3
237.05539	1.9
239.07005	1.6
240.07808	2.2
241.04936	0.9
241.08514	6.4
243.06364	1.0
245.08023	1.8
246.06750	1.6
247.07527	1.7
247.09732	1.8
248.08238	2.2
249.05363	1.0
251.07008	1.9
252.07736	1.8
253.04938	1.2
253.08601	0.9
254.05824	1.0
255.06410	1.9
257.08096	2.8
259.07431	0.9
261.09113	2.4
262.06342	1.1
262.09787	0.8
263.06943	1.9
264.07904	1.2
265.08487	2.4
265.10867	1.1
267.06458	1.5
268.07205	3.9
269.08041	5.1
271.05978	3.5
275.06873	1.5
276.07822	1.8
277.08432	1.8
278.09338	1.0
279.06573	1.6
279.10037	1.9
281.07898	1.0
283.09689	1.8
286.08243	1.4
289.10745	3.3
290.09131	1.3
291.10065	1.5
292.07318	1.3
293.08255	1.7
294.08612	1.7
295.09497	3.9
297.07547	2.2
299.05487	2.2
299.08926	0.9
301.10779	4.6
303.12436	1.5
305.08069	1.2
306.08734	1.6
307.09604	3.8
311.09027	1.1
313.10602	2.1
314.07803	3.5
315.08621	1.0
315.12299	2.1
319.09442	2.0
321.07477	2.2
321.11243	2.1
322.08139	1.3
323.09000	2.6
323.12711	1.5
324.10004	1.0
325.06970	1.0
325.10590	1.6
327.12231	2.4
329.10129	16.2
330.10715	1.9
331.11932	4.7
333.11139	1.8
334.08267	1.2
335.09094	1.8
336.10016	1.4
337.10666	3.9
338.11444	0.9
339.12204	2.2
341.10156	1.4
343.11707	1.6
349.10870	1.8
350.00531	0.9
350.11169	0.9
351.08542	0.9
351.12195	4.5
353.09964	1.3
353.13864	1.5
355.11713	4.2
357.13101	2.5
363.12250	1.8
367.11667	2.9
369.13367	4.3
371.14896	2.0
373.12912	1.7
379.11542	2.2
381.13510	5.9
383.14914	2.3
385.12747	3.1
387.14191	2.7
393.13193	2.4
393.24966	0.9
395.14859	1.4
397.12540	2.2
398.13321	1.0
399.14517	4.4
411.14352	6.3
413.16141	1.4
417.15109	0.9
423.14084	1.1
429.15201	2.7
441.15219	4.3
459.16440	21.2
460.16666	1.1
517.18219	1.5
523.19604	1.2
535.19397	3.0
547.19788	5.6
553.20465	8.3
565.20563	16.3
566.20416	1.1
583.21222	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	583.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.4
55.55986	1.4
57.07058	2.1
59.04999	2.7
65.35500	2.0
67.05504	27.4
69.03431	7.3
69.07059	12.0
71.05000	5.1
76.81343	1.7
79.05482	8.2
81.03404	12.0
81.07044	31.3
82.43933	1.5
83.04969	11.0
83.08601	7.1
85.02899	3.0
85.06517	4.6
85.09454	1.5
91.05463	10.5
93.07033	11.1
95.04934	2.9
95.08592	37.0
97.02896	2.7
97.06522	2.4
97.10156	3.6
98.22714	3.9
99.08065	4.1
105.07017	14.9
106.64670	1.7
107.08581	24.8
109.02831	4.6
109.06503	9.7
109.10143	100.0
111.08041	2.1
119.08569	39.4
121.10117	16.1
123.08042	12.9
123.11694	14.1
127.03889	6.0
129.07042	1.4
133.10121	20.9
135.11676	98.0
136.12051	2.5
137.09592	17.3
139.03645	1.6
139.11185	1.8
147.11655	14.7
148.11922	1.8
149.13249	6.9
151.11127	7.4
151.14804	8.5
154.33864	1.5
156.78632	1.6
165.12746	7.1
165.16356	3.7
175.11244	2.1
175.14799	43.6
176.15154	1.7
193.15854	68.2
194.16151	2.2
211.13321	3.2
211.16893	50.0
212.17250	2.1
223.13049	2.4
229.14320	8.0
251.23323	1.6
283.15112	10.9
321.16681	3.3
337.16245	5.3
339.17889	8.9
354.16290	1.8
355.17337	5.9
367.17297	8.7
411.19742	5.7
421.25671	2.6
479.26068	15.1
481.27872	2.0
565.29950	2.2
583.30817	45.2
584.31366	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	13.9
57.07051	12.0
58.77045	9.4
67.05479	14.1
67.08072	7.7
69.07067	13.5
79.05484	15.6
81.07026	26.1
91.05470	22.4
93.07040	41.4
95.04938	12.3
95.08588	28.9
98.22783	38.8
98.23502	21.2
98.98409	11.8
105.07002	41.9
107.08584	25.6
109.10156	17.6
119.08559	36.3
121.10117	29.6
123.08032	16.8
129.06967	14.0
131.08533	17.4
133.10057	17.0
137.09645	9.3
142.07773	13.8
143.08521	24.6
145.10056	22.2
147.08038	15.9
147.11642	9.7
151.07506	14.1
156.09283	12.5
157.10065	25.7
159.11696	12.5
163.11224	8.9
164.43530	8.9
165.09088	34.5
168.08966	7.3
169.10126	12.5
171.11574	15.2
181.10257	12.1
182.10802	10.0
185.13135	8.8
193.10074	10.1
193.38211	7.5
194.10872	8.8
194.73318	7.6
195.11676	11.3
203.14310	14.4
207.11784	14.7
209.13286	17.3
209.15167	9.0
211.14796	11.8
211.23210	8.3
219.11699	10.6
220.38132	8.6
221.13332	13.2
221.15244	47.2
235.14725	9.0
247.92133	7.9
343.59674	8.0
343.89981	7.6
565.40460	19.5
583.41443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.05504	18.6
56.53073	3.4
57.07065	12.9
65.03949	6.8
67.05494	27.6
69.03423	10.9
69.07063	23.4
69.72721	6.0
69.73062	6.7
75.33021	3.6
76.51683	3.1
79.05482	30.4
81.07053	42.5
83.04977	9.7
83.08611	14.1
83.45718	3.0
85.06535	11.4
91.05470	60.8
93.07035	65.2
95.04964	14.1
95.08603	36.4
97.06521	6.1
98.23209	9.1
99.05536	4.4
100.11246	5.7
101.07522	3.3
103.05463	7.7
105.04546	4.4
105.07020	81.1
107.08591	53.6
107.46581	2.9
109.06509	9.7
109.10157	26.2
111.08176	3.0
117.06999	18.9
119.08573	97.8
121.06534	4.4
121.10132	58.4
123.08059	17.5
125.05998	3.4
128.06201	19.8
129.06998	22.9
130.07770	11.4
131.08563	39.8
133.10114	51.5
135.08046	12.7
135.11681	18.9
137.09604	13.8
141.06967	13.6
142.07765	31.4
143.08548	46.4
144.09325	10.8
145.06430	3.3
145.10110	60.4
147.08052	20.6
147.11674	22.2
149.09628	9.9
151.07527	14.2
151.11290	3.7
153.06949	8.8
154.07727	4.7
155.08519	22.9
156.09344	25.9
157.10115	64.4
158.10904	8.1
159.08028	4.6
159.11688	33.2
161.09615	8.2
161.13226	10.4
163.11066	6.7
165.06982	9.7
165.09093	30.0
166.07796	4.7
167.08562	16.8
167.10672	15.4
168.09294	9.0
169.10123	41.2
170.10892	8.9
171.11671	38.2
173.09534	4.7
173.13246	31.0
175.14818	10.5
179.08507	20.0
180.09274	9.0
181.10072	18.2
181.12268	8.3
182.10936	7.0
183.11665	32.0
184.12460	7.4
185.13197	21.9
187.14890	8.7
189.12738	7.1
191.14314	9.2
192.09319	7.7
193.10098	18.5
194.10945	16.0
195.11678	32.7
197.13197	25.6
199.11327	4.0
199.14810	27.5
201.12819	4.2
203.14275	19.3
205.10175	7.8
206.10893	13.6
207.11694	21.9
207.13655	8.0
208.12389	8.1
209.13234	33.5
210.13940	7.7
211.14836	14.3
217.10168	4.9
217.15872	14.3
218.10793	6.1
219.11682	9.2
220.12543	8.8
221.13252	20.7
221.15372	61.9
222.13966	7.5
223.14793	14.8
225.12843	4.4
225.16338	9.4
227.14346	4.2
229.10094	4.2
231.11668	9.4
232.12415	6.4
233.13248	13.0
233.15324	3.8
234.13988	6.9
235.14743	14.1
237.16335	11.2
239.14366	3.9
239.17995	5.3
244.12389	5.8
245.13136	8.4
246.14032	6.1
247.14758	7.7
248.15584	5.3
249.16360	10.5
250.16969	4.1
251.17923	9.2
255.17355	4.1
257.13107	6.0
257.19028	10.9
258.13831	4.1
259.14682	11.8
260.15619	8.2
261.16449	8.7
263.18015	6.5
265.19595	9.0
269.18826	5.6
271.15048	3.4
272.15491	3.6
273.16321	8.0
274.17157	3.8
275.17865	17.1
283.20490	21.2
287.17694	5.4
289.19366	7.9
299.17740	5.5
300.20898	5.1
307.20688	4.1
331.24030	8.1
347.23871	3.6
349.25244	10.2
357.25690	4.6
375.26733	6.8
385.28348	4.2
403.29791	4.2
491.34998	9.4
503.35092	5.2
565.40369	23.1
583.33044	5.5
583.41425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
53.82471	1.8
55.01853	2.1
55.05501	18.2
57.07070	13.4
59.04999	4.0
60.83689	1.6
65.03934	5.5
67.05499	34.4
69.03418	9.4
69.07054	23.9
69.07395	2.2
70.14818	5.2
71.04989	2.1
71.08623	2.2
72.08666	1.7
77.03912	2.2
79.05486	33.4
81.07049	41.5
83.04950	9.5
83.08610	11.0
85.06536	8.6
89.05987	1.9
91.05470	61.9
93.07037	60.9
95.04967	13.6
95.08593	42.0
97.06534	7.0
97.10152	3.3
102.89441	1.8
103.05458	7.2
105.04504	5.6
105.07018	89.8
107.04935	1.8
107.08585	58.0
109.06514	11.9
109.10150	28.7
111.08086	2.9
111.11648	1.7
115.05453	4.9
116.06229	4.0
117.07025	20.0
119.03980	1.6
119.06087	3.3
119.08569	100.0
120.35258	1.6
121.06497	5.9
121.10132	52.0
123.08068	15.6
123.11706	7.2
125.05993	5.0
125.09631	2.6
128.06229	16.4
129.06982	23.5
130.07780	9.6
131.08557	40.2
131.09460	3.3
133.06496	3.6
133.10112	52.7
135.08054	10.7
135.11667	17.7
137.09619	13.9
139.11215	3.3
141.06987	12.5
142.07759	32.5
143.08553	50.2
144.09335	7.2
145.10104	63.8
146.10323	2.2
147.08051	15.4
147.11670	19.8
149.09573	10.0
149.13284	4.5
151.07509	13.8
153.06973	3.1
153.09042	1.8
154.07779	5.4
155.08534	25.6
156.09317	24.5
157.10103	63.3
158.10880	9.1
159.08029	5.4
159.11674	32.4
161.09654	8.8
161.13231	8.5
163.11200	10.4
163.14819	2.0
165.07011	10.7
165.09099	33.4
165.10405	3.0
166.07782	3.8
167.08553	13.8
167.10648	20.8
168.09344	8.0
169.10110	35.6
170.10901	12.4
171.11671	41.7
172.12425	1.9
173.09608	7.1
173.13257	32.7
175.11179	5.4
175.14815	12.4
177.12689	3.5
178.07813	2.0
179.08504	18.2
180.09351	9.7
181.10112	18.4
181.12172	9.3
182.10892	10.2
183.11661	33.7
184.12448	7.8
185.09647	3.6
185.13197	20.8
187.11186	3.8
187.14806	9.4
189.12656	8.3
191.14253	10.6
192.09319	4.0
193.10083	19.4
194.10847	13.0
195.11690	28.8
196.12442	7.5
197.13219	26.6
198.14058	3.8
199.11223	3.5
199.14777	24.5
201.12827	2.2
201.16365	4.4
203.14261	15.7
204.09370	3.1
205.10149	5.6
205.99251	1.9
206.10852	10.5
207.11685	24.5
207.13771	8.0
208.12440	9.0
209.13243	35.2
209.15216	3.5
210.13976	3.7
211.11334	2.8
211.14754	13.0
213.12724	2.3
213.16351	5.1
215.14311	3.5
216.09203	3.7
217.10106	5.1
217.15817	11.5
218.10883	5.0
219.11743	11.4
219.13544	2.2
219.17407	1.9
220.12393	10.1
221.13242	21.0
221.15370	72.2
222.13989	6.2
223.11195	2.7
223.14796	18.9
224.15463	1.9
225.12782	3.4
225.16357	9.0
227.14325	3.0
229.10104	2.8
229.12218	2.1
229.15872	2.5
231.11713	6.3
231.17329	2.3
232.12479	5.7
233.13239	15.0
233.15399	5.4
234.14008	3.8
235.14728	17.3
235.16760	2.2
236.15498	4.8
237.12662	2.7
237.16331	10.0
239.14333	2.3
239.17924	5.5
241.15886	2.1
243.11678	4.7
243.17593	2.9
244.12505	2.4
245.13173	9.3
246.14005	6.1
247.14798	12.6
247.16867	3.3
248.15556	2.8
249.16356	13.9
250.17105	2.8
251.14357	1.8
251.17938	6.3
253.15869	2.5
253.19550	2.4
255.17336	2.4
257.13348	3.8
257.18875	9.1
258.13947	3.1
259.14871	9.0
260.15527	6.2
261.16345	13.3
262.17056	2.5
263.18005	6.9
265.19464	11.8
267.17532	2.5
269.18967	4.8
271.14651	3.5
271.20480	2.1
272.15500	3.7
273.16418	6.8
275.17807	15.7
277.19492	6.3
279.21097	3.1
280.17892	1.9
281.18903	4.7
283.14868	2.8
283.20407	17.7
285.16208	3.1
287.17801	4.6
287.20392	3.6
289.19461	6.5
291.20987	4.1
293.18924	4.3
295.20505	3.8
297.21936	2.6
299.20309	3.2
300.21048	2.9
301.19302	4.2
307.20419	2.5
309.22067	2.4
313.19418	1.9
317.22504	3.1
331.24054	9.6
335.23734	4.0
347.24127	2.1
349.25214	8.8
361.25497	4.4
373.25339	2.7
375.26871	5.8
401.28079	2.1
403.30060	5.2
491.34924	9.9
503.35303	2.8
509.34259	2.5
547.39142	3.1
565.40271	19.9
583.41943	81.7
584.41827	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.05510	17.4
57.07067	13.9
59.05007	3.4
65.03941	4.8
65.27769	1.7
67.05497	30.0
69.03416	10.3
69.07059	24.9
71.04995	2.3
77.03904	3.7
79.05483	32.3
81.07053	37.3
83.05002	8.3
83.08601	13.3
85.06561	7.4
91.05466	50.7
93.07037	68.9
95.04962	16.7
95.08597	40.2
97.06549	8.1
103.05452	2.6
105.04531	5.5
105.07021	85.7
107.08584	55.9
108.08933	2.1
109.06499	11.3
109.10148	30.3
111.08105	4.3
111.11694	2.3
113.09694	2.3
115.05491	5.2
117.07014	20.7
119.08570	100.0
121.06547	4.0
121.10138	70.8
123.08042	16.5
123.11748	8.0
125.06011	3.6
125.09650	4.5
128.06215	11.3
129.06982	21.6
130.07823	8.2
131.08549	43.8
131.09445	3.3
133.06534	3.4
133.07664	1.9
133.10109	43.9
134.46222	1.9
135.08046	10.7
135.11671	18.2
137.09634	9.7
139.11198	4.0
141.06956	11.0
142.07779	28.8
143.08559	49.3
143.09622	3.6
144.09377	7.5
145.06552	2.8
145.10112	66.4
146.07225	1.9
147.08041	15.2
147.09067	2.1
147.11670	21.3
149.09575	10.3
149.13260	2.5
151.07550	12.9
153.07025	5.0
154.07822	5.3
155.08533	21.7
156.09338	21.3
157.10109	60.1
158.10939	9.2
159.08112	5.9
159.11667	32.7
161.09657	7.9
161.13295	7.3
163.11234	7.8
165.07071	9.1
165.09084	21.5
166.07820	5.6
167.08569	15.2
167.10657	39.1
168.09337	12.1
169.10110	30.2
169.11475	2.6
170.10922	10.9
171.11688	38.3
171.13040	3.1
173.09711	4.0
173.13269	30.0
175.11293	4.7
175.14833	11.6
178.07820	2.4
179.08571	18.6
180.09361	6.9
181.10086	18.3
181.12268	7.6
181.22342	2.1
182.10811	9.9
183.11670	32.9
183.13072	2.4
184.12450	7.5
185.09641	2.8
185.13242	20.2
187.11168	3.1
187.14891	8.1
188.08163	2.9
189.12781	7.4
189.16478	2.3
191.08582	3.2
191.14357	10.9
192.09380	7.6
193.10121	15.1
194.10886	14.0
195.11662	25.6
196.12463	7.5
197.13213	21.6
199.14742	16.7
201.12871	2.2
201.16394	4.9
203.14342	10.8
205.10223	5.2
206.10963	8.6
207.11754	22.4
207.13831	5.6
208.12439	11.3
209.09734	2.0
209.13219	31.1
209.15125	3.5
210.13998	5.0
211.11221	4.2
211.14787	14.5
213.12863	3.7
213.16319	2.7
215.14427	6.0
217.10162	3.3
217.15817	10.0
218.10919	4.0
219.11722	9.5
220.12544	7.5
221.13287	18.2
221.15459	43.4
221.17403	2.4
222.13866	4.8
223.10965	2.0
223.14833	17.0
224.15616	3.9
225.12822	2.5
225.16484	7.1
230.10957	3.6
231.11777	7.7
231.17540	2.5
232.12431	6.3
233.13283	12.1
233.15460	13.6
234.14081	6.3
235.14809	13.9
235.16786	1.9
236.15530	5.3
237.16431	8.2
239.18047	5.4
243.11774	2.9
243.17485	2.3
244.12511	3.3
245.13329	7.5
246.14165	6.2
247.14880	8.3
247.17070	2.5
248.15578	4.2
249.16423	10.5
251.18013	7.2
253.19470	2.6
255.17479	2.2
257.13333	3.3
257.19086	7.0
258.14050	2.4
259.14923	7.0
260.15753	7.9
261.16339	13.4
262.17349	2.6
263.17972	5.4
265.19672	8.5
269.19098	4.7
270.14291	2.4
271.14914	2.1
273.16473	7.0
274.17084	2.3
275.17880	12.0
277.19458	3.9
283.20505	15.3
287.20367	3.4
289.19598	4.0
291.21085	2.9
293.18945	2.9
295.20630	4.0
299.17557	2.7
299.20529	2.5
313.21967	2.9
320.21036	2.7
327.21167	2.8
330.97748	2.0
331.24380	4.1
335.23782	3.3
343.24457	2.6
347.23434	2.5
349.25314	7.9
361.25467	5.1
365.24936	3.6
373.25449	2.6
375.26910	6.1
403.29895	2.9
473.34915	2.3
491.34973	5.6
547.39185	3.8
565.40112	19.9
583.41565	78.6
584.42255	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	584.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83845	0.7
53.03956	0.8
55.01869	2.1
57.03434	0.9
62.06092	4.0
67.05492	0.9
69.37772	3.3
69.76036	0.7
77.33840	0.7
79.05502	5.8
84.95993	0.7
87.04464	0.9
91.05484	5.6
93.07056	1.5
95.04961	3.1
103.05468	6.2
104.07094	1.4
105.07030	21.6
107.04927	3.0
108.05721	1.2
109.06483	2.0
115.05457	1.7
117.49399	0.7
118.04166	7.3
119.04919	2.5
120.05739	1.6
121.06525	4.1
122.07281	1.5
123.04378	0.7
123.08037	1.6
124.05194	1.9
125.06043	1.0
131.04933	2.3
132.05695	1.6
133.06488	22.0
134.07246	1.5
135.04375	2.6
135.08006	3.4
137.05965	6.9
145.06444	0.9
145.91815	0.7
146.03577	2.1
147.04411	1.3
148.05135	0.8
149.05952	5.4
150.06752	13.0
151.07539	5.9
153.01825	2.0
161.05960	5.6
162.01341	0.9
163.07507	0.8
165.09116	14.2
167.07053	10.7
175.07494	0.9
177.05475	2.0
177.09096	3.0
178.06296	1.5
179.06979	2.5
181.08609	2.9
191.07054	2.8
193.08592	63.8
194.08923	1.0
209.08083	9.2
211.09645	100.0
212.10034	1.6
223.04218	7.4
226.98595	0.7
251.09172	9.7
312.08990	1.1
371.14981	4.6
403.17438	3.4
522.89484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.0
57.03431	2.4
66.74020	1.9
67.05496	7.9
69.03398	2.2
69.13139	13.0
73.73869	2.0
79.05486	8.8
81.03400	3.6
81.07053	2.7
83.04980	4.3
91.05479	6.6
93.07028	2.9
95.04966	3.1
95.08612	4.2
97.06556	2.8
99.04437	10.7
105.06997	13.5
107.04929	13.4
109.06487	6.3
109.10151	41.6
111.04453	6.3
117.06992	2.4
119.08548	7.2
121.06499	2.6
123.04400	2.3
128.06232	5.7
128.30362	2.0
129.06914	2.0
132.55878	2.0
133.10085	10.1
137.05978	3.1
137.09607	75.3
137.10657	4.3
143.08527	14.8
145.06424	2.1
146.07275	4.1
147.08035	17.4
153.01869	2.6
160.67705	2.4
161.09601	100.0
163.11292	5.4
165.07686	4.4
165.09099	90.6
171.08034	2.7
179.10623	7.9
184.37038	2.3
185.67604	2.2
189.09100	18.3
207.10138	87.7
225.11211	30.9
276.48038	2.3
369.15527	2.7
387.16483	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59790	1.2
53.03940	1.7
55.01856	1.9
67.05493	4.8
69.03419	4.7
71.04982	2.9
72.58799	1.4
79.05489	13.3
81.03446	1.9
81.07045	6.5
83.04976	1.9
85.02901	8.5
91.05488	3.9
93.07072	2.3
95.04938	5.1
95.08614	2.5
97.02895	2.4
97.06519	4.5
99.04441	12.1
105.07022	7.6
107.04947	11.7
107.08573	2.0
109.02875	2.0
109.06507	5.0
109.10146	25.2
111.04420	3.0
116.71752	1.3
117.06989	1.3
119.08591	7.2
121.06532	3.1
127.03876	2.6
128.06174	2.9
133.10115	10.5
135.08043	1.9
137.05983	1.6
137.09599	47.2
143.08545	10.0
145.04916	3.6
145.10133	2.9
147.08043	11.8
153.01820	5.4
161.09602	84.4
162.09938	1.8
163.11183	6.1
165.09097	70.9
171.08025	3.4
174.06831	1.9
177.93306	1.5
179.10683	6.0
189.09097	14.6
207.10136	100.0
225.11192	50.1
243.12254	7.5
357.10812	1.5
506.58453	1.5
584.22778	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	584.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80842	1.1
57.03433	1.7
69.03431	1.4
70.36396	3.2
73.02915	2.1
73.79010	1.2
78.29974	1.2
78.87997	1.1
79.05519	1.4
80.21131	1.1
83.90056	1.2
88.28846	1.2
91.05482	5.4
98.23380	1.5
103.05470	6.2
105.07014	1.4
114.48077	1.3
117.07014	3.7
117.25925	1.5
119.04926	3.5
121.06508	2.9
122.03669	2.3
123.08157	1.2
129.06985	2.1
130.09242	1.2
131.04916	12.9
135.08026	1.5
137.05962	34.3
147.08006	1.5
149.05995	3.1
151.07539	21.7
153.01848	3.1
157.06447	3.1
161.05975	4.8
162.06740	2.4
163.07536	30.0
167.07101	1.5
167.08453	1.6
174.06715	1.5
175.07516	4.8
177.09094	100.0
178.09421	1.9
189.09052	5.9
193.08717	1.7
195.08023	2.7
195.10117	2.3
211.09590	2.5
219.10051	1.9
221.05977	1.8
221.11684	13.9
225.09010	1.5
227.10661	5.2
237.09015	2.0
237.11104	7.0
253.08643	3.0
253.12325	1.8
255.10139	5.1
272.10416	2.1
285.11115	2.4
287.12808	5.3
313.11053	1.4
313.14322	6.9
316.13120	1.4
330.14511	9.3
331.15329	8.1
342.14594	1.6
387.17871	2.7
405.19037	24.2
503.05676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55543	6.5
55.05500	25.2
57.07063	14.1
57.12896	6.3
67.05501	22.0
69.07063	22.4
69.16569	40.3
71.08624	9.6
79.05488	26.5
81.07048	63.0
83.08617	11.9
89.06013	9.6
91.05474	49.9
93.07043	69.0
95.04946	10.1
95.08620	32.2
105.07029	100.0
107.08604	41.8
107.09224	7.1
108.08921	8.2
109.10162	30.6
117.06998	22.5
119.08574	83.7
121.10159	42.2
123.08074	12.5
123.11677	10.2
129.07002	11.6
130.07771	8.3
131.08575	30.2
133.08577	7.2
133.10127	64.3
135.11687	21.7
137.09596	13.6
141.07057	11.6
142.07739	17.4
143.08548	19.5
145.10112	63.1
147.11652	35.3
155.08566	15.4
156.09314	10.9
157.10141	39.5
159.11671	35.7
161.13245	17.8
168.09340	8.6
169.10129	25.1
171.11671	22.7
173.13219	14.6
175.14818	11.2
179.14389	7.5
181.10164	15.4
182.10854	10.6
183.11668	19.6
185.13213	15.2
187.14886	6.2
191.14224	13.3
193.10052	10.7
195.11681	18.4
197.13258	21.7
199.14810	9.1
207.13716	6.3
209.13213	22.7
211.14752	14.6
212.15096	6.8
221.15427	16.5
223.14832	16.0
225.16396	24.9
236.15839	6.0
237.16293	8.8
272.16202	7.6
283.26602	8.1
300.28842	8.2
311.29205	12.2
363.26532	12.5
403.29767	17.0
553.18811	7.1
584.41980	42.4
584.55859	26.1
585.37115	49.0
603.48450	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	585.3243
Annotation	Caracurine V
Peak:m/z	Relative Intensity
55.05505	0.6
57.03435	0.7
62.83202	0.5
63.90494	0.5
66.88486	0.6
67.05482	2.6
69.03411	0.6
69.07074	1.7
71.04993	0.8
79.05492	2.5
81.03412	2.6
81.07037	3.0
83.05006	0.5
83.08599	0.8
87.26651	0.5
91.05486	2.4
93.07017	3.0
94.06576	1.4
95.04981	1.6
95.08606	1.5
98.23475	1.7
103.05433	0.5
105.06988	2.8
106.06538	2.7
107.04955	0.8
107.07336	9.4
107.08617	1.9
109.02895	1.4
109.10176	0.9
119.08610	1.2
120.08127	1.3
121.08895	1.0
121.10166	2.2
122.06129	0.6
122.09653	44.0
123.09997	0.8
131.08603	1.6
133.10147	1.6
135.06850	2.2
136.07578	2.0
139.11224	0.8
147.11691	0.9
148.07567	0.7
148.11237	0.8
149.09645	1.7
150.09129	46.4
153.01802	0.6
157.10094	1.3
163.07590	0.7
164.07077	1.5
166.08733	1.5
167.79192	0.6
174.09091	0.8
175.11195	1.0
176.10767	1.2
185.07092	0.6
193.12280	1.6
197.10843	1.8
203.11746	0.9
204.10271	4.0
204.12683	0.6
210.02757	0.5
211.08740	1.1
211.12308	0.7
213.10306	2.2
225.10178	6.2
226.11050	2.1
227.11812	1.6
239.11703	3.3
241.09743	1.1
251.12584	1.2
253.09735	4.1
254.10649	0.7
255.11310	1.1
258.10123	0.9
259.10733	7.7
267.11383	2.6
267.16129	1.1
268.12073	1.1
269.13559	3.6
271.10681	0.7
278.07953	0.5
283.15134	11.8
285.12390	2.3
295.10757	5.0
297.12317	1.1
298.09698	2.1
301.14337	1.7
306.36880	0.6
307.15158	1.0
313.11780	50.9
314.12405	4.9
325.12119	3.2
325.15686	3.2
327.93774	0.6
329.13068	0.6
339.17761	5.3
353.18060	0.6
373.19357	2.2
411.19867	0.7
418.19009	1.2
419.19858	1.9
419.60867	0.5
434.20816	4.0
436.18671	10.9
437.18970	0.9
442.60172	0.6
444.19339	1.0
448.18793	1.2
453.83203	0.6
462.20193	32.4
463.20828	2.9
464.21902	4.4
503.21176	0.6
541.29901	1.5
557.27728	1.6
567.32178	3.0
585.32544	100.0
586.33075	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	586.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75735	0.3
55.01854	0.5
56.81463	0.3
57.01297	0.3
65.05620	0.3
66.59926	0.3
69.03398	0.9
69.38044	0.6
69.38432	0.7
74.28217	0.3
79.01852	0.6
83.13433	0.3
85.02917	0.6
91.05456	0.7
93.31335	0.3
95.43535	0.3
96.04496	0.3
97.02879	100.0
98.03217	1.3
98.22744	0.6
105.06970	0.4
109.02849	0.5
111.89457	0.3
114.05537	0.4
119.04924	0.9
125.02330	0.5
127.03887	0.5
137.02304	3.2
139.03850	0.5
143.03387	1.3
147.04379	2.5
151.03906	0.4
153.01810	21.2
153.02863	0.9
155.06787	0.3
161.05960	0.5
163.03908	1.1
165.01810	6.6
165.05490	0.7
175.03893	2.4
183.02863	25.5
184.03159	0.5
191.03409	0.4
193.04909	3.5
203.03413	0.5
221.04433	8.9
249.03909	27.1
250.04312	0.7
267.04959	12.7
285.05984	6.6
285.08942	0.3
315.07300	1.0
414.53616	0.3
505.77725	0.3
525.60315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61885	0.7
51.82551	0.8
58.82859	0.8
68.25506	0.8
75.28791	0.7
80.71619	0.8
84.40858	0.9
89.03902	3.7
91.05466	1.0
92.92420	0.8
103.05445	8.4
105.07044	1.2
107.04916	1.1
117.03372	11.8
119.04893	1.5
131.04918	18.9
131.47461	1.0
133.06494	1.5
137.05972	7.4
145.02835	36.0
146.03152	0.9
147.04401	1.4
149.05951	4.0
161.05983	0.9
163.07512	8.7
177.05452	100.0
179.06985	1.4
586.28827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68855	2.7
55.05509	4.6
67.05502	6.2
69.07059	5.5
71.04997	15.8
79.05495	8.2
81.03407	4.5
81.07039	14.4
83.04958	3.3
91.05466	4.4
93.07044	12.4
93.31522	3.2
95.05002	4.9
95.08607	17.2
97.02885	4.0
97.82744	3.2
105.07018	18.2
106.07347	3.6
107.08585	9.3
109.02885	5.3
109.10155	11.3
119.08582	4.2
121.10128	10.4
125.09608	12.1
127.03944	8.2
133.02881	3.6
133.10107	22.8
143.03375	6.4
143.10660	15.2
146.74373	3.5
147.11688	5.0
149.13252	8.2
153.01811	100.0
153.03049	6.2
161.13211	3.4
167.14297	33.2
171.02876	10.4
175.21451	4.4
187.07655	3.4
201.16396	4.8
219.17482	12.8
249.11266	6.0
297.06042	6.3
315.06940	22.1
586.28546	12.2
587.27698	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	586.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60777	1.1
55.05510	4.9
57.07071	1.7
59.04997	1.6
63.22301	1.1
67.05506	3.8
69.03429	1.7
69.07066	3.7
69.24053	4.7
69.24471	2.3
71.04987	12.3
73.06539	1.7
79.01841	1.6
79.05486	3.8
81.03413	3.5
81.07046	13.0
85.02908	3.6
91.05475	6.5
93.07026	14.1
95.04968	3.2
95.08599	15.9
97.02879	3.8
97.06528	2.4
97.10152	2.3
105.07020	19.8
107.01311	1.4
107.08587	14.6
109.02896	3.9
109.10155	6.0
111.08079	1.6
119.08589	5.1
121.10126	6.6
123.11712	3.5
125.02367	1.6
125.09622	15.6
127.03912	6.3
127.11224	2.0
131.08521	4.4
133.10115	33.5
134.75021	1.2
135.11700	1.8
137.06007	1.2
143.03389	3.3
143.10652	17.7
145.10104	5.8
147.11714	6.8
149.13223	9.1
151.11267	1.2
153.01813	100.0
157.10039	1.5
159.11714	5.2
161.13266	2.9
167.14307	36.3
169.12376	1.2
171.02820	11.1
201.16389	5.3
219.17415	17.6
237.18500	2.0
279.04987	1.1
280.99142	1.3
297.06146	4.1
315.07059	26.9
315.09998	1.1
371.18002	1.1
586.29291	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05507	5.4
67.05492	2.8
69.03424	3.9
69.07053	4.4
69.74409	2.1
69.74805	2.7
69.75529	1.2
71.04982	11.1
73.06535	2.0
79.01818	1.7
79.05503	6.9
81.03416	4.9
81.07050	11.1
83.04967	1.7
83.08627	2.3
85.02901	3.6
85.06538	1.3
91.05480	6.2
92.19675	1.2
93.07043	13.7
95.04961	1.9
95.08604	13.1
97.02894	2.9
97.06514	2.2
97.10127	1.2
99.08099	2.1
105.07016	21.7
107.01321	1.3
107.08585	14.2
109.02811	5.8
109.10146	6.4
111.08057	1.4
112.06101	1.2
117.07023	1.5
119.08575	7.2
121.10132	8.3
123.11707	3.0
125.02345	2.9
125.09617	12.4
127.03878	6.0
131.08560	3.1
133.10101	28.8
133.11024	2.2
135.11617	1.9
137.05965	1.9
143.03386	5.5
143.10657	18.9
145.10126	5.6
147.11659	7.3
149.13272	10.6
151.11169	1.6
153.01811	100.0
154.02162	1.7
159.11662	5.0
161.13132	1.5
163.11108	1.5
167.14288	33.4
169.12195	1.5
170.98514	1.4
171.02823	12.1
173.13257	1.8
201.16396	4.8
203.17889	2.0
218.68822	1.1
219.17439	19.3
244.14108	1.3
297.06058	4.7
315.07043	23.2
393.79111	1.6
430.77295	1.3
586.29236	2.9
587.30054	2.8
596.25543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.7
59.72514	1.0
67.05485	3.8
68.28308	1.1
69.03423	2.4
69.07055	3.5
69.47214	1.1
70.68246	1.5
70.68611	1.5
71.04981	16.0
73.06541	1.9
79.01849	2.4
79.05482	4.6
80.29939	1.1
80.33928	1.1
80.52753	1.1
81.03406	4.6
81.07046	13.9
83.04985	2.3
83.08597	2.7
85.02886	2.5
91.05463	7.7
93.07034	16.6
95.04980	1.5
95.08589	20.5
97.02883	3.6
97.06483	1.9
97.10172	1.8
99.08067	2.3
99.86747	1.3
105.07013	19.8
107.01257	1.5
107.08581	13.3
109.02852	3.8
109.10152	9.4
119.08571	5.4
121.10165	7.7
123.11681	2.7
125.02354	2.4
125.09625	12.9
127.03909	8.1
127.07475	1.0
131.08569	2.9
133.10120	29.7
133.11139	1.7
135.11646	1.6
137.05978	1.3
138.14275	1.2
143.03380	3.5
143.10655	19.5
145.10109	4.8
147.11697	7.5
149.13232	17.0
151.11188	1.8
153.01808	100.0
154.02176	2.1
159.11656	5.3
161.13260	2.7
167.14285	48.6
168.14612	1.3
171.02870	12.5
201.16354	3.5
213.03831	1.1
219.17397	18.5
237.18414	2.8
279.04993	1.1
288.06793	1.1
297.05972	4.1
315.03384	1.7
315.07053	26.5
315.10049	0.9
586.29144	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.07072	31.5
57.82139	2.2
71.08620	27.0
73.06537	4.6
85.10176	18.2
87.04440	8.3
89.06025	100.0
99.11696	4.4
107.07074	4.3
110.69287	2.3
113.13227	2.3
117.09117	4.3
133.08582	49.9
134.70616	2.3
147.23300	2.5
155.17888	6.2
161.11836	2.0
177.11220	16.9
199.20544	7.2
221.13844	4.0
243.23157	6.4
250.70963	2.5
287.25916	3.4
415.25357	4.3
569.42694	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	587.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.8
61.79365	0.5
62.03681	0.5
67.05496	1.8
69.03426	0.8
69.32278	2.8
74.25863	0.5
77.20960	0.5
79.01854	3.1
81.03420	3.5
81.03819	0.5
83.93430	0.5
85.06541	2.3
91.05483	0.7
97.02901	4.5
98.23403	1.1
103.07581	3.7
107.01311	1.4
109.02856	3.1
121.08653	0.9
122.25155	0.5
125.02339	2.9
127.03918	5.6
139.03767	0.5
143.03387	5.6
153.01811	100.0
153.02850	4.0
154.02115	1.2
171.02875	10.1
176.74420	0.5
186.39883	0.5
279.84521	0.6
297.05972	4.7
305.02921	3.6
315.07065	0.9
328.20853	0.6
467.08020	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	587.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43420	0.4
69.11366	2.5
78.55597	0.4
82.03957	0.4
83.01092	0.7
84.01872	0.5
87.42287	0.4
95.01102	1.0
96.01864	0.6
103.07531	0.4
112.01349	1.0
113.02125	1.7
123.04497	0.4
126.02888	0.4
141.05208	1.0
153.01813	5.9
153.02943	0.7
169.04660	0.6
185.04192	2.7
201.03743	0.8
202.04509	0.4
203.05263	0.7
204.07629	1.9
227.08891	5.0
243.08414	5.8
258.89969	0.5
259.08026	1.5
274.70767	0.4
279.12067	1.0
355.14627	0.4
425.17661	0.6
441.17261	28.8
442.17786	0.9
463.68768	0.5
587.23010	100.0
588.23267	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	587.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.05493	0.7
55.05505	1.4
56.65060	0.6
57.09599	0.6
58.76815	0.6
67.05492	2.9
70.43282	0.6
71.04990	0.9
79.05483	2.2
79.84335	0.6
81.03396	0.9
81.07041	2.5
83.08596	0.7
91.05476	2.1
93.07027	2.4
94.06555	1.5
95.04958	1.1
95.08582	1.2
95.45661	0.7
96.08116	0.8
105.07014	2.2
106.06546	2.6
107.07325	14.6
107.08546	1.1
109.10151	1.3
110.06020	0.8
119.08593	1.1
119.14226	0.8
120.08108	2.1
122.09653	100.0
123.10014	1.6
124.11240	4.0
133.10124	1.6
135.06769	1.6
135.11725	1.3
136.03932	1.3
136.07584	2.7
145.10123	0.8
148.11194	1.9
150.09134	31.2
151.09523	1.6
152.10724	0.7
158.05983	0.6
162.09160	0.9
164.07063	2.1
166.08611	1.9
174.09142	1.8
176.10704	4.5
180.10109	0.8
188.10732	0.8
191.85506	0.7
192.10085	0.8
199.12315	2.0
201.10320	0.9
204.10188	2.4
211.12279	2.0
215.11790	2.2
220.09567	0.8
224.10687	2.4
225.10222	1.3
227.11792	2.5
239.11784	1.9
241.09753	2.0
241.13422	1.6
242.10417	0.9
243.11293	4.4
251.11815	3.0
253.09779	4.0
254.10475	2.6
255.11316	9.8
256.12021	1.4
257.12891	0.8
259.10760	1.3
261.12274	7.0
267.11276	2.7
268.12015	3.9
269.12857	6.6
273.12323	2.3
287.13806	6.4
295.10785	2.9
297.12332	7.5
298.09433	3.9
301.14429	1.7
313.11768	25.1
314.12192	2.5
315.13345	74.3
316.13635	2.3
409.57037	0.8
410.21051	1.2
418.21198	1.4
436.22345	17.2
438.20093	10.0
446.20786	3.3
448.22153	2.2
464.21777	38.1
465.21558	1.2
555.28864	1.0
559.29108	7.6
569.27936	2.6
587.27295	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	588.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03920	1.0
55.01868	0.6
57.03415	1.2
67.05502	1.1
69.03428	3.1
70.74500	0.7
71.04970	0.8
75.04462	0.4
79.01847	2.4
80.85706	0.6
81.03412	6.3
81.07018	0.7
81.41960	0.5
85.02903	2.7
95.04940	0.6
97.02884	5.0
99.04467	0.6
103.05441	0.5
105.07016	3.5
107.01323	1.2
107.04984	0.7
109.02871	5.4
109.10145	0.8
122.99339	0.4
125.02312	2.6
127.03909	7.8
133.06471	8.3
137.05965	16.4
143.03398	4.8
145.04904	0.8
153.01813	100.0
153.02872	4.6
154.02129	1.0
161.05911	0.7
163.07524	0.9
165.09116	6.0
167.07045	0.6
171.02879	12.1
173.11703	0.6
175.07639	0.5
183.10167	4.3
203.10786	0.7
221.11629	0.6
227.05499	4.4
229.14372	2.9
239.12749	0.6
257.13815	12.5
279.05023	0.9
297.06027	4.7
315.07043	16.3
316.07401	0.5
365.15720	0.5
551.90753	0.6
588.25586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.93999	0.6
63.48272	0.6
66.71378	0.6
67.05493	1.3
70.92535	0.7
79.05479	3.3
83.05012	0.7
85.02880	1.2
91.05481	5.1
94.95719	0.6
95.04976	1.4
97.02876	1.3
103.05466	4.4
105.03349	1.0
105.04485	0.7
105.07023	15.2
107.04924	4.2
108.05676	0.7
109.02859	0.9
109.06497	1.8
109.10137	1.0
115.05446	1.6
118.04157	5.1
119.04953	3.3
121.06490	1.9
122.07259	0.7
123.04413	1.0
123.08079	1.7
124.05208	0.6
127.03920	1.0
131.04935	6.9
132.05724	0.8
133.02853	5.2
133.06490	15.0
135.04414	1.7
135.08028	2.9
137.05968	6.6
146.03691	0.6
147.04384	3.8
147.08063	0.7
148.05223	0.9
149.05974	3.0
150.06769	10.4
151.07545	5.2
152.08388	1.1
153.01810	9.6
153.02921	1.0
161.05992	2.7
163.07512	8.8
165.05435	1.6
165.09103	11.9
167.07050	9.2
178.06224	1.0
179.07018	4.7
181.08569	1.0
193.08592	44.0
194.08841	0.9
195.10121	1.1
197.11670	1.5
211.09642	100.0
212.09979	1.9
213.11156	2.2
227.05495	5.0
229.14326	1.3
284.50821	0.7
298.59348	0.6
341.13467	1.2
361.16547	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00523	0.8
55.01878	1.2
57.03444	1.3
57.78415	0.8
69.03422	0.9
70.36198	1.9
79.05489	4.8
85.02888	1.6
91.05461	4.5
93.07059	1.2
95.04925	1.4
97.02893	0.9
98.29432	0.9
103.05444	5.1
105.07014	19.3
107.04974	4.6
109.06552	1.8
115.05444	1.2
118.04157	4.4
119.04919	5.9
120.05688	1.2
121.02855	3.7
121.06528	2.4
123.08044	2.1
124.87848	0.8
131.04922	7.8
133.02850	3.3
133.06480	17.8
135.04384	1.9
135.08061	3.8
137.05969	8.8
144.69751	0.8
146.03574	1.3
147.04417	4.1
148.05182	1.4
148.49977	1.0
149.05969	3.7
150.06754	14.0
151.03802	1.0
151.07553	5.5
153.01825	5.8
153.02953	0.9
154.02179	1.5
155.64201	0.9
161.05966	2.5
163.07536	9.8
165.05519	1.9
165.09132	11.6
165.10460	1.5
167.07054	11.7
178.06236	1.4
179.07014	4.8
181.08566	1.8
191.06953	0.9
193.08585	53.1
194.08859	0.9
195.10202	2.7
211.09636	100.0
212.09964	2.3
213.11194	1.3
341.14056	1.5
361.16455	2.0
395.66275	0.9
550.50763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72412	2.2
70.76913	3.2
72.01401	1.8
77.03922	2.4
79.05498	6.2
79.90232	2.2
80.47552	1.8
91.05454	2.7
103.05470	3.0
105.07018	14.1
119.04928	7.9
120.89588	2.3
121.06525	2.7
133.06476	18.9
137.05972	7.0
147.04407	5.1
149.05989	2.9
150.06750	6.1
151.07568	3.3
152.72636	2.1
153.01808	2.5
165.09062	12.7
167.07066	6.2
179.07014	5.8
193.08571	51.5
211.09618	100.0
341.13947	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	588.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	15.5
57.07069	18.5
62.87377	15.8
67.05475	28.0
69.07051	18.7
79.72723	14.6
81.03406	55.2
81.07045	26.1
83.04968	17.4
83.08613	27.6
91.05446	19.4
95.04959	16.7
95.08566	20.5
98.95889	16.7
109.10026	13.7
123.77333	14.0
126.95293	15.1
138.53017	17.4
193.12172	25.6
200.85458	14.5
201.07962	17.2
229.27242	15.3
267.15912	100.0
273.53592	15.7
311.25711	56.7
427.38611	16.7
432.76337	16.9
503.37036	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.05510	22.0
57.03424	11.9
57.07072	11.4
67.05488	17.8
69.07066	20.0
69.07657	16.1
69.08065	9.5
71.08636	7.6
79.02028	3.1
79.05483	13.4
81.03411	65.5
81.07059	12.5
83.08624	29.5
91.05489	14.0
93.07074	11.4
95.04967	20.4
95.08603	7.9
97.10180	14.3
98.22721	10.3
105.07020	10.6
107.04951	5.9
107.08568	6.5
109.10133	5.7
111.08096	4.3
119.08583	11.0
121.06524	4.6
129.07048	5.5
131.08604	7.5
133.10123	4.0
147.11717	5.1
157.10095	8.4
175.11098	5.2
193.12241	19.8
267.15857	100.0
268.16052	4.5
311.25696	54.5
503.37253	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03932	0.7
57.95736	0.5
64.93347	0.6
67.05507	0.7
68.62980	0.4
69.03418	1.1
71.43602	0.6
79.01851	4.1
81.03403	2.9
81.07055	1.3
85.02868	1.0
91.05451	0.7
93.07003	1.1
94.06479	0.5
95.05030	0.5
95.08575	1.1
97.02876	7.8
105.07021	1.3
107.01295	1.2
107.08528	0.5
109.02861	4.2
111.08008	0.6
119.04958	0.6
119.08541	0.9
122.06001	0.7
122.09663	1.1
124.07557	1.9
125.02351	4.8
127.03905	8.8
133.10115	0.6
138.09175	2.6
138.10025	0.5
143.03381	6.2
145.12856	0.6
153.01813	100.0
153.02852	4.2
154.02112	1.8
164.07126	0.8
164.10684	3.0
167.07065	0.7
171.02867	16.2
171.04338	0.9
192.10143	2.6
199.08827	0.6
201.06543	5.2
201.10228	1.6
215.08162	2.0
216.08995	0.8
217.09671	6.1
219.11290	1.2
227.08147	1.0
235.10757	2.4
241.09558	3.1
243.07486	0.8
243.11256	0.7
245.09213	0.6
249.43219	0.6
257.12814	1.9
261.08667	5.5
287.10059	1.0
297.05984	4.6
301.11938	2.5
336.36386	0.7
344.50156	0.6
364.16711	0.8
378.18112	1.0
392.15982	10.5
406.17618	3.6
408.19101	7.6
409.18445	0.6
410.16989	2.7
426.20224	16.1
434.17114	10.4
452.18079	23.1
467.08044	1.7
589.26483	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	589.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02358	0.6
70.70204	0.9
79.05472	1.9
81.07042	0.9
83.55050	0.5
89.03944	0.7
91.05473	4.3
94.04178	1.8
94.40213	0.6
95.04971	1.0
103.05446	3.2
105.07009	2.4
107.04948	7.2
115.05458	5.8
117.03368	0.7
117.06996	2.1
118.04153	0.6
119.04913	1.7
119.08626	0.7
121.06476	2.6
122.03659	3.9
128.06230	0.6
129.06982	2.7
131.04906	3.2
131.08530	1.2
132.09117	0.6
133.06490	1.6
135.08060	1.4
137.05966	50.6
138.06285	1.6
141.06981	1.3
143.04915	2.7
143.05928	0.6
144.05681	1.1
145.02823	1.4
145.06424	1.5
146.03618	12.6
147.04404	1.4
149.05992	3.7
151.03926	1.8
151.07515	6.4
152.75839	0.6
154.85545	0.7
157.06509	1.7
158.07207	1.1
160.05157	3.3
161.05968	32.0
161.09631	2.2
162.06454	0.6
163.07510	7.3
165.06982	2.0
169.06451	1.4
173.09663	1.3
174.03087	1.4
174.06741	3.2
175.07524	14.0
177.05476	4.5
177.09088	9.2
178.07750	0.9
179.08539	1.7
187.07518	0.9
189.05450	100.0
189.09000	9.3
190.02625	1.2
190.05795	2.2
190.07625	1.0
191.08585	1.1
191.10501	0.6
193.06496	1.4
194.07266	2.8
195.07977	1.1
197.09593	0.7
201.05353	7.5
201.09050	3.5
203.06946	4.7
204.09232	0.7
205.04906	13.2
205.06514	1.5
205.10124	1.8
206.07236	0.7
207.06526	1.9
207.08157	1.2
208.08832	0.8
209.09605	0.7
211.07445	0.9
218.07224	1.7
219.06369	0.9
219.10144	2.2
221.05936	3.2
221.09595	2.6
222.06712	2.3
222.10231	0.7
223.07584	0.7
223.11183	1.7
224.08278	1.4
225.09009	1.6
229.04945	3.0
231.06480	1.7
233.05966	0.7
233.09692	3.0
234.06693	1.1
235.07430	1.5
236.08308	1.2
237.09094	2.4
239.06973	1.1
240.07851	0.8
247.05978	29.7
248.06192	0.9
249.09128	1.9
250.06334	0.8
250.09799	1.1
251.06978	1.5
251.10756	1.5
252.07634	0.8
253.08617	1.7
253.12169	1.6
255.06409	0.7
259.07349	0.7
261.09076	2.6
263.07028	0.9
264.07870	1.0
265.08560	8.6
265.12164	1.6
267.10092	3.3
268.07211	1.9
269.08072	1.6
277.08737	0.8
278.09271	1.3
279.10107	1.7
281.08066	0.7
281.11795	1.1
282.08801	1.8
283.09631	2.9
283.12866	3.1
284.10345	1.7
285.11166	1.8
291.10147	1.4
293.11652	9.3
294.12155	0.8
295.09573	1.8
296.10391	0.8
297.11246	11.8
297.14789	1.8
299.12717	1.8
309.11160	1.9
310.11942	1.6
311.12741	5.7
313.14273	7.1
315.12250	5.2
323.12704	1.9
325.14307	15.0
341.13739	2.3
343.15332	12.5
343.19312	1.0
344.15891	1.1
361.10840	0.8
369.13132	0.9
512.99512	0.6
571.19434	2.5
589.21088	4.1
604.81476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03934	0.9
55.01868	0.9
55.05505	1.9
57.03423	1.0
57.07067	0.4
59.04989	0.4
61.45338	0.3
67.05492	5.0
68.06231	0.3
69.03411	3.0
69.07066	2.6
69.29022	1.8
71.04991	2.7
73.02917	0.7
79.01841	3.2
79.05500	1.8
81.03400	5.0
81.07053	7.0
83.04970	1.0
83.08610	1.3
85.02398	0.6
85.02893	8.4
87.04440	1.0
91.05478	1.7
93.07017	2.3
95.04968	1.2
95.08585	2.3
97.02882	3.2
97.06515	0.8
97.10139	0.4
98.07298	0.3
99.04453	2.5
101.02348	0.5
103.03902	0.7
105.07013	2.3
107.01279	2.1
107.08570	1.4
109.02873	4.1
109.06509	0.6
109.10157	0.8
111.04433	0.7
113.08810	0.3
115.03904	1.1
117.06963	0.3
119.08548	2.6
119.32043	0.3
121.06449	0.7
121.10144	1.3
123.04402	0.5
123.08067	0.4
123.11686	3.5
125.02335	4.0
127.03896	6.6
131.08559	0.5
133.10117	1.0
137.13246	1.0
139.07492	0.8
139.11166	1.4
141.12730	3.1
143.03384	6.1
143.08496	0.5
145.04951	1.2
145.10117	0.4
147.08023	0.5
147.11729	0.3
153.01810	100.0
153.02858	4.3
154.02153	1.4
155.14299	2.3
159.11725	0.9
161.13254	2.8
165.09106	0.7
165.33217	0.3
171.02867	8.3
175.14827	1.3
183.11699	0.3
193.15845	0.7
203.14270	1.7
221.15329	7.0
239.16348	5.3
257.17441	1.1
279.04938	0.7
287.10150	0.3
297.05960	2.5
299.74701	0.5
301.11719	1.0
315.07043	12.2
360.53333	0.4
378.17896	0.6
406.17462	3.1
452.18314	4.2
500.80682	0.4
563.63818	0.4
589.25226	1.1
589.33545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.9
56.35010	0.6
67.05467	1.1
69.03398	1.0
69.07034	0.9
74.15120	0.6
77.83083	0.5
79.05450	0.8
81.03422	0.7
81.07009	1.5
91.05421	0.5
93.06992	1.3
95.04911	0.7
97.06470	0.8
105.06976	1.2
107.08540	1.1
109.10127	0.8
114.31116	0.5
119.08493	0.9
121.10084	1.1
122.05988	0.6
122.09607	2.5
124.07517	1.4
133.10037	0.6
138.09082	1.7
153.01773	1.8
164.07022	0.6
164.10640	1.2
171.02861	0.5
192.10118	1.1
201.06546	1.2
201.10260	0.8
217.09686	2.0
241.09680	1.3
245.09248	0.6
257.12595	0.7
258.11282	1.3
261.08652	3.9
263.10526	2.2
264.11179	0.9
269.09308	0.7
277.12106	0.7
277.16833	0.7
285.12326	3.2
287.10226	1.1
290.12766	1.1
301.11826	7.3
303.10025	0.6
304.14441	1.9
310.11783	3.8
318.12500	1.3
318.16068	1.5
319.16733	6.1
322.11932	3.6
332.13867	1.7
334.19144	1.3
336.13278	2.4
346.15466	3.3
347.16205	2.5
348.13300	1.8
349.14209	1.6
362.11313	6.3
362.14896	0.9
362.18643	1.9
363.15814	1.3
364.16614	0.7
376.12885	3.3
377.13547	1.2
378.18088	16.9
379.18506	1.0
380.19485	1.5
381.17953	1.0
390.14371	0.7
391.15411	2.1
392.16031	2.2
406.17569	69.2
407.18079	4.4
408.18958	3.0
409.17508	2.8
409.27222	1.1
410.17148	0.7
419.14627	0.9
426.20035	6.2
427.28168	0.9
434.17139	3.6
452.18121	100.0
453.18430	6.2
571.24152	0.7
571.33038	0.6
589.26447	49.1
590.26685	4.6
600.06567	0.6
609.17328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.6
65.32879	0.4
67.05481	0.8
69.03399	0.7
69.07052	0.7
70.18665	0.5
71.43691	0.4
79.05454	0.6
81.03398	0.8
81.07039	1.2
91.05480	0.8
93.07021	1.1
95.08604	1.1
97.02888	0.7
105.06953	0.6
107.08559	0.6
109.10170	0.8
117.07022	0.5
119.08557	1.2
119.89232	0.5
121.10105	0.8
122.09644	2.1
124.07520	0.5
131.08588	0.6
133.10069	0.9
135.08026	0.8
136.07582	0.5
138.09062	0.6
149.09479	0.5
153.01791	0.7
164.07091	0.7
164.10654	0.6
164.98152	0.5
166.56232	0.5
176.10869	0.4
201.06531	0.5
201.10178	0.6
217.09676	1.3
235.10748	0.6
241.09572	0.6
250.09770	0.5
257.12881	0.7
258.11319	1.0
261.08716	1.7
263.10437	2.3
264.11197	0.9
269.09140	0.5
277.12204	0.7
277.16827	0.6
278.13019	0.7
285.12259	2.7
287.10251	1.0
290.12866	0.9
301.11719	4.5
304.10999	0.5
304.14432	1.6
305.15402	0.5
310.11847	4.2
318.12479	1.0
318.16058	1.3
319.16754	6.4
321.05508	0.5
322.11856	4.6
323.12512	1.2
332.13986	1.3
333.14462	0.8
334.19119	2.0
336.13281	2.6
337.14035	0.8
346.15350	2.5
347.16263	2.9
348.13464	1.6
349.14368	0.6
362.11215	7.1
362.14767	0.8
362.18652	1.9
363.16055	0.7
364.16611	0.9
376.12756	3.6
377.13815	1.0
378.18103	16.4
379.18301	0.9
380.19598	1.8
381.18219	0.8
390.14401	0.8
391.15411	1.9
392.15961	1.7
406.17569	83.1
407.17828	4.6
408.19254	2.3
409.17767	1.5
409.27066	0.9
410.17157	0.7
419.14990	0.8
426.20099	4.8
427.28403	0.9
434.17117	1.6
452.18112	100.0
453.18512	5.5
589.26373	47.4
590.26404	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	589.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71781	2.0
53.03944	5.2
55.01872	9.2
55.05508	34.3
57.03428	6.2
65.03934	3.2
67.05495	52.4
69.03423	6.3
69.07062	21.1
71.04990	4.0
71.41856	1.9
73.06560	1.7
74.66685	2.1
77.03932	2.2
79.05483	62.2
81.03432	11.0
81.07047	47.4
83.04972	12.9
83.08618	10.7
88.90555	1.8
91.05471	52.4
91.06047	2.8
93.07035	46.3
93.07597	2.6
95.04967	27.0
95.08595	26.0
97.02879	4.5
97.06531	6.9
97.10149	13.5
98.97055	1.9
103.05480	3.9
105.04514	4.2
105.07026	38.3
107.04930	9.9
107.08564	19.1
109.06536	6.6
109.10152	11.3
111.08112	2.8
117.07028	12.6
117.42371	1.9
119.04939	2.2
119.08575	28.8
121.06505	6.3
121.10117	8.9
123.08091	12.0
123.11684	2.5
125.09632	12.7
128.06200	3.5
129.06984	14.3
131.08557	12.2
133.06467	4.7
133.10121	11.4
135.08064	6.6
135.11708	5.5
137.09558	2.9
141.07016	2.8
142.07816	2.6
143.08553	10.1
145.06410	3.6
145.10100	15.1
147.08034	7.1
147.11659	20.4
149.09583	3.7
149.13309	2.7
153.09137	2.1
155.08495	2.3
157.10146	4.3
159.11719	7.6
161.09636	5.1
161.13284	4.8
163.11122	5.7
169.12314	2.9
171.11684	16.6
173.13411	2.3
175.11215	4.8
177.12772	1.7
179.10580	2.4
179.14384	1.9
180.61736	1.7
183.11714	3.2
185.13380	2.8
187.11192	2.3
187.13301	2.6
189.11203	9.4
189.12799	6.7
197.98567	2.1
199.11142	2.3
203.14319	2.1
207.13744	14.3
219.52693	1.9
223.13278	9.8
227.12747	10.9
249.14807	6.3
252.71181	2.6
273.18411	21.3
275.20123	3.6
281.17465	31.1
291.19525	100.0
292.19846	4.2
347.22141	2.7
365.23279	22.2
392.86835	2.3
392.91577	2.2
474.13242	2.0
491.30905	2.4
526.62177	2.0
571.36200	84.4
572.36548	4.6
589.36450	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	590.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33898	0.3
53.03928	0.5
55.01865	0.4
55.05508	0.6
57.03427	1.4
57.07067	1.4
60.07585	0.4
61.02921	0.6
67.05485	0.4
69.03422	6.0
69.07026	0.5
70.04068	100.0
71.01328	0.6
71.04976	0.6
73.02917	2.1
80.47803	0.4
81.03407	1.5
81.07048	0.6
83.08627	1.0
85.02885	5.3
87.04456	1.6
97.02876	11.5
97.03480	0.6
99.04492	0.7
99.08078	8.6
109.02873	1.9
114.10262	0.5
115.03912	3.2
117.09143	2.2
127.03915	3.7
133.04958	1.3
145.04958	1.8
146.20798	0.4
175.05943	0.5
183.10181	2.3
195.10121	3.8
201.79468	0.4
202.08211	4.2
213.11157	4.6
225.11266	2.1
227.08167	2.2
231.12291	1.7
241.07104	1.0
243.12299	1.7
259.08170	0.6
261.13382	1.9
406.17624	0.6
407.18057	0.6
458.16873	1.8
546.27673	0.5
590.20807	0.8
591.27057	0.6
604.46814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
54.06955	0.2
55.01877	0.2
55.05497	0.6
57.03426	2.0
57.06830	0.3
57.07068	1.9
57.94103	0.2
59.04993	0.5
61.02902	0.2
62.53054	0.3
64.28930	0.2
67.05505	0.3
69.03424	7.4
69.03802	0.4
69.07050	1.1
70.04068	100.0
71.01344	0.5
71.04382	0.3
71.08595	0.3
71.43273	0.3
73.02897	0.5
77.81459	0.2
79.05502	0.2
81.03417	1.5
81.07068	0.3
83.04971	0.3
83.08610	0.4
85.02894	6.6
87.04458	2.9
95.08603	0.4
97.02882	11.1
99.04453	1.2
99.08083	9.5
107.08582	0.3
109.02866	2.3
111.04401	0.4
111.08154	0.3
115.03922	2.6
117.09130	1.8
122.09665	0.3
123.04438	0.5
127.03906	2.9
131.44566	0.2
133.04959	2.0
135.08037	0.2
141.00999	0.3
143.03426	0.5
145.04935	1.9
159.10181	0.5
165.09097	0.4
183.10149	3.4
183.11708	0.3
195.10146	3.4
202.08206	5.6
209.07436	0.3
213.11168	3.6
225.11208	2.3
227.08278	3.1
231.12234	2.7
243.12279	1.7
261.13354	1.8
327.37097	0.2
381.20053	0.8
426.20554	0.6
427.20251	1.4
453.18658	0.3
458.16779	1.6
590.27411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01873	13.2
55.05503	10.9
57.07069	8.3
59.05004	5.7
67.05501	8.6
68.63955	3.0
69.03429	19.2
69.07075	10.4
69.18269	14.9
69.18663	6.4
70.02963	5.8
71.05009	3.4
72.04507	23.7
73.02908	16.7
73.03644	3.2
74.02436	3.2
79.05471	4.9
81.03415	21.5
81.07050	7.4
83.04978	27.8
83.08617	3.3
85.02904	20.9
85.06546	9.3
86.09716	9.8
87.08101	4.8
90.05544	49.0
91.05473	8.8
93.07049	10.0
95.04975	12.3
95.08596	7.3
96.08144	3.0
97.02876	20.0
97.06516	3.8
98.02408	21.4
98.22762	5.6
99.04442	9.1
99.08087	3.7
100.03976	8.7
103.07582	4.9
105.07036	9.4
107.08591	37.4
109.02872	32.4
109.06509	6.1
109.10165	3.9
111.08075	13.6
113.06023	8.6
113.39194	3.0
116.03432	24.2
119.08576	6.2
121.06493	4.0
121.10133	7.5
124.07594	28.0
127.03911	24.6
132.06573	10.6
133.10062	6.6
135.08052	3.4
135.11674	5.2
137.06010	7.8
137.09592	5.5
142.08633	23.0
144.06606	3.0
145.04982	6.6
146.05957	3.6
148.83041	3.2
149.13304	4.7
150.09137	3.5
153.01826	9.4
153.09091	10.0
154.08769	3.3
160.09686	5.1
161.05960	4.3
166.08656	6.0
166.10686	3.1
172.09726	4.0
174.11212	6.6
184.09682	41.8
191.14311	14.1
198.07497	3.9
199.05995	9.1
202.10722	99.1
203.11188	4.3
211.09706	8.4
216.08601	4.5
217.07112	11.3
220.11766	36.1
230.10217	11.9
234.09735	11.0
244.11899	5.1
262.12778	24.6
287.05582	5.7
310.12878	10.0
328.13864	82.5
330.11136	3.5
346.14783	25.5
364.15997	100.0
382.17029	10.2
403.12381	3.6
411.28839	8.1
428.28729	4.0
429.29749	4.1
590.27515	10.8
591.16162	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	590.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79500	29.8
55.73130	35.2
60.95813	34.7
69.26553	27.9
69.36790	69.6
69.37177	84.2
71.08646	38.9
73.69447	28.2
89.06023	100.0
94.72856	30.4
97.22073	39.0
109.25857	32.8
130.17416	32.1
133.08578	59.9
171.99240	36.6
176.82877	34.0
177.05524	48.8
219.98311	33.4
220.00627	32.6
287.62106	42.1
373.25079	32.2
478.30884	36.5
524.35187	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10892	4.0
53.03943	7.1
55.05507	15.9
57.03428	31.3
57.07074	76.7
57.30930	3.9
58.49154	3.8
67.05497	41.0
69.07067	28.9
69.23701	21.2
69.74847	4.8
71.08627	46.8
71.78908	3.9
76.67029	4.0
79.05477	31.5
80.05811	5.2
81.03413	100.0
81.03891	4.9
81.07048	49.4
82.07352	3.9
83.08607	37.5
85.10181	27.2
89.06009	13.6
91.05476	44.7
93.07040	37.3
94.07373	5.6
95.04928	22.9
95.08588	38.7
97.10200	8.0
105.07034	31.9
106.07368	6.7
107.04922	5.8
107.08601	15.0
109.06509	5.4
109.10162	19.2
111.08057	7.6
117.07043	6.4
119.08571	39.0
120.08812	4.5
121.06510	6.3
121.10114	14.3
123.11671	4.7
129.07018	13.8
131.08549	17.6
133.06490	5.4
133.10149	24.3
134.10445	7.2
143.08577	5.4
145.10149	9.3
147.11690	21.5
148.12025	5.3
149.09589	6.1
149.13177	6.3
157.10091	13.5
161.13263	8.1
175.11198	6.2
175.14813	4.9
193.12238	28.9
211.11156	4.4
228.84221	3.8
239.23775	5.1
241.19589	7.7
242.19945	8.8
259.20633	15.0
260.20932	16.5
267.15906	95.2
313.27328	98.9
314.27689	22.6
334.24506	7.8
372.09213	5.0
418.82721	4.5
505.38815	61.9
506.39053	6.0
532.63489	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	591.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38373	0.5
61.98074	0.4
67.05496	0.6
69.32748	2.1
81.03418	0.9
81.07047	0.4
83.01081	0.5
85.02898	1.1
91.05490	1.0
93.07062	0.5
95.01078	1.3
96.01881	0.6
97.02874	1.2
98.23444	0.8
106.04150	0.7
109.01530	0.4
109.02798	0.5
109.10191	0.5
112.01285	0.4
113.02102	1.6
114.78658	0.4
121.06515	1.2
127.03883	0.5
130.84172	0.4
137.05975	1.7
137.65903	0.5
149.05989	1.2
149.07268	0.6
151.03917	0.8
151.07521	0.8
153.01801	0.5
157.04695	0.6
161.16818	0.5
167.03142	0.5
177.05469	0.5
179.07034	1.0
181.08553	0.7
185.04224	2.4
193.12160	0.6
201.03668	4.2
202.05981	1.0
203.05235	14.8
215.06767	0.6
217.04744	1.1
218.05403	0.5
227.58134	0.6
230.39578	0.4
232.07030	13.5
232.09282	0.9
233.07776	3.2
260.58817	0.5
381.12933	3.8
394.42630	0.4
411.14261	0.7
429.29507	0.5
526.17688	0.4
591.20361	100.0
592.20721	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	591.2412
Annotation	Lydenburgenin
Peak:m/z	Relative Intensity
51.69918	0.3
55.05492	0.9
57.84911	0.3
67.05497	0.6
69.03411	0.8
69.06763	0.3
69.07068	3.7
69.30439	1.4
71.04987	0.5
79.05486	0.7
81.03432	0.4
81.07047	2.0
85.02887	0.7
85.06524	0.7
91.05442	0.6
93.07024	0.8
95.04919	0.3
95.08604	2.1
96.26310	0.3
97.02868	0.5
105.07015	0.5
105.78278	0.3
107.07307	1.0
107.08569	0.9
109.06516	0.4
109.10136	1.1
111.11700	1.1
119.08495	0.6
121.10114	0.8
122.05923	0.4
122.09662	8.5
123.11684	0.8
124.07591	0.7
127.11181	0.4
131.08563	0.5
133.10065	0.3
136.07501	0.4
139.11124	1.1
141.05208	0.4
143.08551	0.3
145.10081	0.9
147.11703	0.5
148.01283	0.9
153.01778	0.7
164.10603	0.4
169.04723	1.9
192.00272	4.3
193.01021	1.1
201.10280	0.3
217.09799	1.6
220.03467	0.4
235.01965	0.4
235.10889	0.4
257.12866	0.5
259.16690	1.8
261.08652	1.0
277.17761	1.1
285.12473	0.5
295.26190	1.0
301.11713	0.5
301.17905	0.5
307.26395	2.2
319.17093	0.3
321.05704	0.7
325.27295	0.7
337.05283	0.6
348.13120	0.4
355.06320	8.6
362.18515	0.5
378.18063	1.4
380.19452	0.8
391.15140	0.8
393.27774	0.5
406.17587	7.0
408.19171	2.4
411.28787	1.3
425.10449	1.2
426.20181	2.5
429.29721	1.3
436.18597	0.5
452.13214	0.4
452.18121	4.9
501.44034	0.4
511.03714	0.4
521.19873	4.9
522.19904	0.4
543.26038	0.5
573.26965	0.8
591.23846	100.0
592.24127	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	591.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
58.38145	0.6
67.05473	0.7
69.07043	0.8
70.67495	1.1
71.04968	1.4
79.05458	1.4
79.41814	0.6
81.07006	1.5
91.05443	1.7
93.07007	2.4
95.04962	0.7
99.48147	0.5
105.07004	0.8
107.08543	2.0
109.10127	1.0
111.92504	0.5
122.09599	2.3
137.05998	0.7
148.99626	0.6
185.09552	0.6
206.80591	0.5
259.16702	6.3
259.57758	0.5
261.18130	3.2
271.78873	0.6
353.04724	7.4
355.06308	100.0
356.06577	1.8
391.15005	0.8
393.27731	0.7
406.17535	3.2
411.28845	2.1
429.29895	2.2
436.18613	1.0
560.30078	0.7
573.26953	1.6
591.24017	73.8
592.24017	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	591.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19475	0.5
67.93494	0.6
69.09135	3.8
91.54899	0.5
97.02858	0.7
104.07231	0.5
117.04141	0.6
122.09656	6.7
124.07589	2.0
138.09126	1.2
145.10081	0.6
153.01837	1.5
161.02107	0.6
170.37085	0.5
173.02057	0.5
178.94402	0.5
192.00359	1.1
197.49812	0.6
198.86137	0.5
224.92392	0.6
230.66447	0.6
239.81168	0.5
241.13383	0.7
259.14288	1.0
263.10391	1.0
266.27451	0.6
285.12341	4.2
292.14517	1.3
306.16202	0.9
310.11737	2.7
318.12357	1.1
318.15915	1.1
319.16727	3.9
320.17413	1.5
321.18304	1.0
322.11819	2.7
323.12531	1.1
332.13834	2.0
332.17438	0.6
334.19006	3.7
335.17371	0.8
336.13409	2.3
346.15457	2.3
347.16370	2.6
348.13284	1.3
349.14136	0.8
350.15057	1.3
352.20184	1.7
355.06064	1.3
362.11353	5.4
362.18695	6.9
363.16537	1.1
364.16345	1.0
365.17203	0.7
374.15237	1.0
376.12894	1.9
376.20319	0.7
377.13724	0.9
378.18118	16.7
379.18524	1.3
380.19614	11.4
388.16559	0.8
391.15143	2.5
406.17584	70.6
407.17810	3.4
408.19147	3.7
411.13892	0.9
419.14499	0.8
422.20505	2.9
426.20319	3.7
452.18130	51.0
453.18442	2.1
545.26868	0.9
561.17212	1.4
591.28448	100.0
592.19305	0.8
592.28717	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	591.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83446	0.9
64.80914	0.8
69.03426	0.7
91.05524	0.8
93.07072	1.2
98.22701	1.7
119.08600	0.7
122.09706	2.4
124.07601	2.6
137.05965	1.1
138.09158	1.9
138.88200	0.8
153.01843	1.3
241.13487	2.1
252.42242	0.8
259.14346	1.2
278.13068	1.3
285.12390	4.7
292.14655	0.9
304.14664	1.0
305.15317	0.8
310.11929	3.2
319.16913	3.4
320.17905	2.0
322.11957	2.5
322.19141	0.9
332.13992	1.1
334.19269	3.2
336.13477	2.0
346.15607	1.3
347.16449	2.6
348.13443	1.6
348.17303	1.1
350.15158	2.6
352.20316	1.6
355.06470	1.7
362.11221	4.9
362.18579	7.1
363.16663	0.7
364.16440	1.3
365.17615	1.6
376.12885	2.4
376.20435	1.0
377.13849	1.2
378.18137	12.7
378.22778	1.0
380.19659	19.1
380.24417	1.3
391.15106	1.5
406.17587	67.3
407.17975	2.8
408.19290	3.0
410.20718	2.6
422.20908	2.0
426.20218	3.4
428.21756	2.4
429.29797	1.7
436.18387	1.3
439.20499	0.9
452.18127	40.1
453.18781	1.9
500.35196	0.8
545.27582	1.3
573.26996	2.3
591.18884	7.6
591.28192	100.0
592.19977	0.8
592.28778	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	591.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
61.48984	1.0
65.03895	1.1
67.05508	2.2
69.03428	1.4
69.07031	1.1
70.04073	12.3
71.04401	1.8
79.05487	2.3
81.03426	1.4
81.07070	2.6
82.40591	1.0
85.02936	1.3
91.05471	2.3
93.07051	2.9
95.04996	1.3
95.08613	1.3
97.02879	2.1
97.80089	1.0
98.22601	1.8
99.08065	1.0
100.42883	1.0
107.07321	3.0
109.10170	1.1
112.19175	1.1
119.07070	1.0
119.08569	1.0
122.09659	21.0
124.07664	1.1
124.11244	1.1
134.87415	1.1
136.07584	2.9
142.42062	1.1
147.11743	1.4
149.59242	1.2
164.07065	1.3
186.12340	1.3
235.10867	3.1
263.10602	4.0
269.09348	1.2
276.11407	2.8
277.12027	5.0
278.13019	1.8
287.10400	1.9
289.12286	1.4
290.12894	1.4
291.13635	6.3
292.14465	5.4
302.12918	2.6
303.13708	2.8
304.14545	2.6
305.15280	1.3
306.16071	2.4
310.15573	1.9
318.12329	2.2
318.16037	3.0
319.16754	7.1
320.17599	1.7
322.11945	3.2
322.15506	1.7
324.17020	2.3
332.13922	1.9
334.19150	4.3
336.13419	51.2
337.13913	1.9
342.96069	1.4
347.16379	1.8
348.13489	7.3
349.14191	2.7
350.14951	18.5
351.15634	6.8
352.20346	2.8
361.14255	2.2
362.11197	4.0
362.15045	10.4
362.18710	2.0
363.15826	1.5
364.16440	1.6
366.21863	1.6
376.12939	2.6
377.13702	9.5
377.17575	2.8
378.18094	44.3
379.18546	2.3
380.19693	12.1
389.06036	1.2
390.18167	2.5
391.14725	1.9
392.19702	12.4
406.17563	99.6
407.17914	4.9
408.19128	4.1
410.20660	8.7
424.18716	2.5
428.21701	2.1
436.18613	66.6
437.19153	3.3
438.20355	1.3
439.19717	1.3
454.19647	12.6
543.25977	10.7
561.27350	1.4
573.27039	81.2
574.27350	4.4
591.28125	100.0
592.28345	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	591.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
55.05501	3.4
57.03444	2.0
61.02924	1.9
66.69740	1.0
67.05499	4.2
68.38472	1.0
69.03421	5.2
69.07066	11.4
71.04988	1.4
73.02890	0.8
79.05478	5.5
81.03424	2.3
81.07047	14.1
83.08575	1.6
85.02892	25.4
87.04475	1.0
91.05468	5.6
93.07035	8.3
95.04959	1.9
95.08601	10.7
97.02885	5.0
97.06531	1.9
99.04433	1.2
99.08073	2.1
100.08417	1.3
105.07021	9.9
107.08578	12.5
109.02869	2.7
109.06503	4.1
109.10164	10.4
111.08067	1.7
111.11706	2.1
117.07023	2.5
119.04943	2.1
119.08554	8.2
121.06483	3.1
121.10130	3.4
123.08037	2.1
123.11706	1.2
125.09576	1.0
127.03918	6.9
128.06247	1.5
129.07001	2.3
131.04935	0.9
131.08568	8.7
133.10104	5.2
135.08075	1.2
135.11661	1.8
137.05959	2.5
141.06982	1.2
142.07738	1.7
143.08527	9.5
145.04939	7.1
145.06427	1.5
145.10120	10.9
147.08020	3.3
147.11665	4.3
151.11128	1.0
153.01787	1.9
155.08504	4.7
156.09312	1.2
157.10124	7.9
159.08064	1.6
159.11676	4.0
161.09578	2.9
161.13206	2.0
163.06039	3.2
167.08607	1.2
168.09293	1.0
169.10132	4.7
170.10851	1.0
171.08046	3.9
171.11620	6.4
173.09616	6.4
173.13226	5.4
175.11183	3.5
179.08643	1.0
180.09404	1.3
181.10114	4.2
181.74139	0.9
182.10760	1.1
183.08173	1.1
183.11679	5.8
185.09613	3.1
185.13284	2.7
187.11211	2.2
187.14795	1.2
189.09055	5.3
189.16444	1.5
191.10738	2.7
192.09315	1.3
193.10086	1.6
194.10915	1.4
195.11650	4.3
197.09613	1.6
197.13242	5.3
199.11168	3.4
199.14827	7.2
201.12709	1.8
201.16370	1.4
207.10027	1.2
207.11726	4.0
208.12576	1.4
209.13300	4.6
211.11226	3.0
211.14798	3.2
213.12715	2.7
215.14445	1.3
219.11609	1.0
221.13278	2.2
223.11162	2.5
223.14761	1.5
225.12738	5.0
227.14264	3.1
231.13763	1.5
233.13159	1.7
235.14830	1.9
237.12733	1.4
237.16391	2.5
239.14322	4.1
239.17754	1.4
243.13881	1.4
247.14836	1.4
249.14774	1.3
251.14331	1.1
251.18002	1.4
253.15952	1.3
255.17392	1.2
255.21066	1.3
261.16479	2.1
265.15826	4.5
267.17377	3.6
281.15363	2.1
281.18927	1.8
283.16876	9.7
285.18454	16.3
286.18933	1.2
287.16415	1.2
291.21048	1.3
293.18915	3.1
295.20227	0.9
299.16400	2.2
301.17932	66.5
302.18454	5.0
309.18317	1.2
311.19974	3.6
315.19504	1.4
319.20453	2.8
323.19992	1.4
325.21530	1.9
327.19754	1.5
329.21024	4.2
330.88992	1.1
337.21533	6.3
341.21008	2.6
342.21765	1.5
343.22766	1.7
349.24652	1.1
355.22641	20.4
356.22900	1.0
375.27063	1.8
393.27786	8.4
402.09634	1.1
411.28860	100.0
412.29199	4.1
417.12027	1.3
429.29929	77.9
430.30170	3.9
573.34216	1.7
591.17780	12.2
591.36053	2.0
592.19031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
53.61217	6.5
55.01865	15.8
55.05498	26.5
57.03434	9.4
57.07067	13.7
58.04648	7.0
61.46158	7.7
65.49577	7.3
67.05494	41.3
69.07061	19.8
71.08625	13.3
79.05479	44.4
81.03403	11.0
81.07060	53.0
83.04932	8.6
83.08626	20.8
84.51532	7.2
89.06010	25.5
91.05471	56.4
93.07049	47.5
95.04959	18.5
95.08608	26.9
97.06540	14.3
105.07035	54.2
107.04948	24.1
107.08583	20.1
109.06525	8.6
109.10161	15.8
117.06997	12.8
119.08570	36.4
121.06517	15.9
121.10175	15.4
131.08525	22.0
133.08603	20.0
133.10107	31.2
135.11691	9.1
145.10075	15.3
147.11655	16.2
148.42177	6.8
163.11157	14.1
179.14264	19.8
210.56758	7.7
238.03732	9.1
257.19009	9.7
275.20041	65.7
283.15414	39.9
349.23883	12.9
361.83179	8.8
557.34546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48772	24.0
67.05499	86.3
68.75465	24.5
69.23271	60.1
69.23672	100.0
79.05483	91.2
81.07043	65.5
91.05464	68.3
93.07050	72.9
105.07015	56.4
107.08553	38.1
129.06993	31.0
147.11696	31.3
159.11687	30.7
281.17554	34.1
339.07718	27.2
469.38315	29.9
539.37646	30.4
592.44312	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	15.4
70.09042	2.3
70.95254	0.8
74.97617	0.9
84.96021	7.8
98.97571	24.8
102.97054	1.8
110.49572	0.7
110.97549	7.1
112.99097	2.1
116.98601	8.5
124.99076	2.1
128.98584	8.5
131.00095	0.9
134.99615	3.2
140.98590	3.7
143.00146	7.9
144.98102	1.3
146.99620	5.1
153.01738	1.3
158.99631	8.3
161.01219	5.8
162.99110	1.2
163.03922	3.5
167.00211	1.3
170.99635	3.4
172.28485	0.8
173.01109	1.4
174.99162	1.5
177.00696	7.9
179.02255	1.0
182.99641	2.1
185.01193	3.6
189.00670	3.3
190.96437	1.0
194.99789	1.3
195.01706	1.1
198.99060	3.2
201.00700	8.6
203.02289	1.9
208.97530	7.4
210.99158	0.9
213.00645	2.1
219.01741	26.0
221.03346	1.8
222.99129	1.1
226.98604	21.7
229.00188	1.8
237.02783	41.5
241.00206	3.9
244.99702	13.1
247.01367	1.4
250.98775	1.2
253.00266	0.9
255.03874	26.1
256.04077	1.3
256.37915	0.8
259.01321	6.5
261.02820	2.3
263.00708	8.7
265.02328	1.5
268.99579	2.6
273.04974	6.4
274.97656	1.3
277.02280	1.4
279.03854	5.2
283.01050	1.1
287.00705	1.9
291.03970	1.7
297.04868	3.2
301.02173	2.0
309.04898	1.7
313.02353	1.2
315.03809	1.4
321.04840	1.5
323.06265	1.0
333.04761	3.0
339.05865	1.0
353.01743	1.1
371.02896	1.9
381.06863	6.9
389.03802	3.1
399.08066	13.2
407.04816	2.4
413.03854	3.1
431.04990	4.2
533.08099	100.0
534.08356	5.0
551.09143	39.4
552.09528	1.9
593.10126	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	593.178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91382	5.1
81.07001	5.8
137.05888	6.0
142.02147	4.7
346.31454	5.4
362.25037	4.7
431.31287	9.0
593.17786	100.0
593.26178	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	593.1837
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
55.29145	0.4
70.70236	0.6
91.10522	0.3
91.68867	0.3
98.22833	0.5
101.63282	0.4
131.52509	0.4
148.01312	2.3
148.02332	0.3
150.27191	0.4
153.01842	1.0
192.00276	10.1
192.01938	0.6
194.06940	0.4
204.07562	1.5
273.20230	0.4
291.04669	0.7
301.18277	0.4
309.05734	1.1
319.04285	0.9
337.05283	5.8
353.05029	1.2
395.09482	1.2
411.09274	0.7
593.18298	100.0
594.18475	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	593.22
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66975	1.3
79.05522	0.5
91.05469	0.9
93.07016	0.4
95.01090	1.5
96.01852	0.6
98.23372	0.5
105.07067	1.0
112.01372	0.7
113.02136	1.4
132.54288	0.3
133.06505	0.6
137.06009	0.6
150.06815	0.5
157.04776	0.9
185.04211	3.0
189.05269	1.5
193.08646	1.4
201.03653	2.4
202.06081	0.6
203.05237	4.7
211.09666	0.9
219.06267	2.6
221.43408	0.3
234.08595	14.8
235.09338	4.5
265.03833	0.3
292.47531	0.3
381.11551	1.0
383.14584	6.7
413.15512	1.0
593.21973	100.0
594.22296	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	593.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13917	0.3
58.76659	0.3
69.62353	0.3
69.79218	0.3
69.79541	0.9
69.85259	0.3
79.05489	0.6
83.07674	0.3
84.01874	0.4
91.05482	0.6
93.07047	0.5
95.01075	1.4
95.08606	0.5
97.06537	0.3
103.05430	0.3
105.07026	1.6
107.04944	0.3
110.79787	0.3
112.01360	0.3
113.02121	1.7
118.04187	0.5
119.04974	0.6
133.06500	1.4
135.11673	0.3
137.05959	0.8
141.92537	0.3
147.04378	0.5
150.06813	0.4
159.11684	0.4
163.11214	0.7
165.09102	0.7
167.03169	0.4
167.07063	0.7
173.09657	0.3
185.04242	2.2
189.05208	1.1
193.08557	2.0
201.03679	1.3
203.05249	12.2
211.09624	0.6
219.06261	2.2
233.11751	0.6
234.08606	12.6
235.09341	2.3
351.10483	0.3
383.14584	5.7
384.14896	0.5
397.51111	0.3
413.15417	1.7
419.57666	0.3
593.21960	100.0
594.22229	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	593.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71609	1.2
63.53772	1.3
70.56042	2.9
77.17126	1.6
85.25114	1.2
98.23046	2.0
113.02115	1.5
153.01855	1.6
177.04240	1.6
185.04227	4.0
189.05206	3.7
193.08615	1.5
203.05304	5.7
219.06215	1.6
234.08676	9.6
383.14655	1.9
388.46024	1.8
396.13882	2.1
409.13806	1.7
424.41068	1.4
506.67404	1.5
527.22137	1.6
593.21960	100.0
593.90009	1.4
594.22211	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	593.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95580	0.6
66.60389	0.6
69.83159	1.5
98.23209	1.7
109.10146	0.7
122.09643	2.6
137.05960	0.8
153.01797	0.9
159.04181	1.2
178.36845	0.6
189.05280	1.1
197.41766	0.6
233.09232	0.7
235.10698	1.0
235.45056	0.8
261.12399	1.4
267.17343	0.8
312.17093	1.1
352.12885	0.9
364.12936	0.8
382.13864	0.8
382.21158	2.0
400.22174	2.5
413.30557	1.7
424.99133	0.6
430.23303	8.4
431.31384	0.9
478.35107	0.6
563.21777	1.1
563.29559	0.7
593.23425	100.0
594.23676	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	593.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.4
67.05456	0.5
69.27589	1.8
79.05482	0.3
86.81876	0.3
95.08533	0.4
109.10088	0.4
230.14822	0.3
388.16745	0.4
389.17578	0.6
402.18280	0.7
403.19275	2.4
404.19806	0.9
405.20752	1.3
417.21265	3.2
418.21524	1.4
419.22269	2.3
430.17303	0.4
431.18219	6.3
431.23685	0.6
432.18408	1.6
433.24146	5.2
434.24533	1.0
445.19946	6.8
446.20547	3.5
447.21454	3.3
448.22556	0.6
449.23218	0.4
458.20813	0.3
459.21472	2.6
460.22519	13.6
461.23209	11.2
462.23660	1.0
463.21063	0.4
473.23532	2.4
474.24130	0.6
476.25665	1.3
477.26440	1.0
487.25009	1.2
488.25320	0.4
489.26459	0.4
491.23639	0.5
492.24951	1.6
493.25732	0.4
505.21732	4.6
515.23920	0.4
518.23053	0.8
519.24176	0.8
533.25421	45.2
534.25745	3.5
547.27020	0.8
561.24860	0.4
564.23712	0.4
565.27655	0.4
593.27502	100.0
594.19086	0.6
594.27844	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	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.27330	0.9
69.27732	1.3
128.24011	0.4
224.56331	0.4
273.27518	0.4
389.17480	0.5
402.18460	0.5
403.19150	1.7
404.19968	0.7
405.20581	1.0
416.20184	0.5
417.16144	0.7
417.21414	2.1
418.21707	0.8
419.17804	0.5
419.22272	2.3
431.18253	6.7
431.23868	0.5
432.19418	1.5
432.24026	0.6
433.24167	6.0
434.24649	2.2
445.19901	6.0
446.20828	4.6
447.21588	5.2
449.22815	0.6
459.21634	3.3
460.22473	15.5
461.23215	13.7
462.23672	0.8
463.20865	0.7
468.22427	0.5
473.23660	2.2
474.24005	1.2
476.25830	1.4
477.22888	1.3
487.25143	1.5
489.26450	0.7
491.24362	1.4
492.25388	1.9
505.21973	9.4
515.24799	0.7
518.22888	0.9
519.23987	1.3
533.25433	37.4
534.25562	3.1
549.25159	0.4
561.24738	0.6
564.23688	1.6
565.27472	0.9
575.26434	0.5
578.25031	0.6
593.27521	100.0
594.27802	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	593.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77575	1.1
69.07066	1.5
71.43071	1.4
79.05493	1.2
91.05482	1.2
96.08110	2.3
105.07011	1.6
106.06512	1.3
107.07233	1.4
110.06002	1.3
114.50985	1.1
122.09657	13.4
123.77824	1.1
124.07589	9.4
131.99442	1.2
138.09126	3.7
215.08229	2.0
233.09230	3.2
234.08607	5.1
267.54590	1.3
290.12842	1.6
291.13611	2.8
292.14420	3.9
303.13773	1.6
304.14621	2.8
305.15176	1.5
306.15900	5.0
310.15491	2.2
318.15970	2.2
319.16754	3.7
320.17545	3.2
322.11905	2.2
324.16965	1.9
332.13718	3.4
332.17432	2.3
334.18881	5.4
335.09146	2.3
336.13489	15.0
336.17218	1.7
346.15396	1.6
348.13348	2.0
348.17139	1.7
350.14886	9.8
352.20215	4.6
361.14081	1.8
362.11133	2.9
362.14896	5.0
362.18607	14.6
364.16519	2.7
364.20407	2.3
376.20313	2.2
377.13568	2.5
378.18137	21.1
379.18835	3.6
380.19705	13.4
390.18216	7.5
392.19827	7.5
406.17554	58.3
407.17709	2.5
408.19183	1.8
410.20789	3.6
428.21640	3.7
431.31509	3.2
436.18683	18.5
475.23297	2.6
527.26172	3.5
545.27515	40.3
546.27618	1.7
575.28607	100.0
576.29022	6.1
593.22382	13.7
593.31049	32.1
594.30371	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	593.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48468	1.0
55.73466	0.9
57.03442	0.9
67.05504	1.5
69.03423	1.2
69.07076	1.7
70.04082	1.2
79.05486	2.9
81.03413	1.1
81.07069	3.6
83.04992	1.3
85.02895	1.9
90.05623	1.1
91.05479	1.8
93.07037	3.6
95.04982	2.0
95.08607	2.3
96.08129	3.6
96.88280	0.8
97.02890	1.8
97.06528	1.2
98.22707	2.5
105.07044	1.5
110.06050	1.9
110.09715	1.4
122.09665	5.2
124.07590	11.5
131.08574	1.7
138.09157	3.9
153.01862	1.8
153.97787	0.8
166.08659	2.9
215.08237	3.9
233.09164	9.6
251.14259	1.5
259.07172	1.6
261.12399	1.9
274.06305	1.1
277.12183	2.5
278.13019	2.2
285.12369	1.7
290.13065	1.2
291.13638	3.6
292.14383	5.1
303.13864	1.4
304.14426	1.7
305.15219	1.3
306.15945	6.6
310.15588	2.9
312.86395	0.9
318.12686	1.7
318.16168	4.0
319.16837	4.0
320.17551	5.6
322.12003	2.3
322.15744	1.5
324.17224	2.5
331.16733	1.1
332.14008	1.4
332.17618	1.5
333.14679	1.6
334.19061	6.1
336.13437	21.2
336.16794	1.2
337.14230	2.2
346.15576	2.1
347.16302	1.6
347.82394	1.0
348.13373	2.3
348.20728	2.3
349.14435	2.0
350.15018	14.3
350.18845	1.5
351.15970	1.9
352.20282	3.1
361.14032	1.6
361.18033	1.9
362.11301	2.4
362.14899	4.2
362.18735	15.0
363.15604	1.1
364.16513	1.8
364.20502	1.9
376.12811	1.4
376.20273	2.7
377.13776	3.2
377.17920	1.4
378.18112	22.1
379.18842	4.2
380.19641	18.0
390.18097	5.9
392.19760	11.9
398.20810	3.7
406.17508	67.6
407.17963	3.8
408.19220	3.7
410.20667	5.6
413.30731	1.1
421.20193	1.0
424.18607	1.2
428.21738	11.0
431.31595	4.0
436.18652	26.0
437.19147	1.1
438.20306	2.5
451.21115	1.2
454.19632	2.2
475.23459	2.7
525.01215	0.9
527.26794	1.8
545.27533	38.3
546.27686	1.2
563.29010	1.2
575.28632	98.1
576.28876	6.9
593.29700	100.0
594.30206	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	593.3684
Annotation	floribundasaponin A
Peak:m/z	Relative Intensity
55.05491	2.6
56.49999	0.5
57.03418	0.8
57.07058	0.6
61.02890	0.9
63.73907	0.6
67.05489	5.3
69.03397	2.4
69.07065	11.6
69.45496	2.1
69.45860	1.2
71.04997	0.7
79.05460	2.7
81.03388	1.8
81.07049	5.8
83.08590	1.2
85.02898	5.2
91.05476	3.3
93.07042	7.0
93.34064	0.6
95.08589	9.8
97.02854	2.1
97.06522	1.3
98.22750	1.4
98.23344	1.5
105.07030	4.7
107.08605	5.2
109.06458	1.1
109.10149	10.7
111.08040	1.4
111.11692	1.2
117.06994	1.2
119.08582	6.3
121.06486	2.3
121.10115	3.1
123.08044	1.5
123.11688	1.5
127.03923	1.4
127.11160	1.3
128.06180	0.8
129.06982	1.5
131.08580	4.2
133.06494	1.0
133.10146	2.9
135.08086	1.1
135.11671	1.2
141.06934	1.0
143.08563	5.9
145.04938	1.3
145.06409	0.7
145.10118	7.8
147.07973	1.7
147.11661	3.5
149.09541	0.8
149.13205	1.3
153.01787	1.5
155.08473	2.4
156.07037	0.7
157.10107	6.4
159.08011	1.2
159.11716	3.2
161.09590	2.1
161.13217	1.3
163.07547	0.6
167.08548	1.4
167.10733	0.9
168.09250	0.9
169.10156	2.0
171.08063	0.9
171.11610	3.6
173.09612	5.8
173.13210	1.9
175.11118	3.0
175.14682	0.7
179.08485	1.3
181.10034	1.5
183.11658	2.4
185.09639	1.4
185.13179	2.2
187.11177	1.0
191.10625	1.5
193.10071	1.6
195.11629	2.0
197.13196	3.4
199.11127	2.8
199.14819	3.8
200.11769	0.8
201.12781	0.7
206.10808	0.7
207.11682	2.2
209.13316	4.7
210.14322	0.7
211.11319	1.4
211.14816	1.5
212.11879	0.8
213.12746	1.4
213.16263	1.0
213.93466	0.6
215.14235	1.0
219.11676	0.9
221.13231	0.9
222.13953	0.7
223.14838	1.4
225.12685	2.1
225.16292	1.1
227.14360	1.2
233.15465	0.9
234.13991	1.0
237.16391	1.0
239.14389	1.5
239.17995	4.8
241.15868	0.9
245.12820	1.6
245.15244	0.8
247.14781	0.8
249.16377	3.4
251.14182	1.8
251.18057	0.8
252.14934	0.6
253.15770	0.9
255.21095	2.9
265.15869	0.6
265.19736	0.7
267.17404	25.8
268.17960	1.5
269.18961	1.2
271.16840	1.3
273.18689	0.8
277.19424	0.8
279.17667	0.8
283.16986	1.0
283.20322	0.7
284.17590	1.5
285.18463	100.0
286.19095	7.4
287.20126	1.3
293.18994	1.1
295.20438	1.5
297.18457	1.7
299.20023	1.4
308.27789	0.8
311.20016	3.2
312.20767	2.5
313.21613	2.4
321.22177	1.9
325.21539	1.6
326.22366	2.3
327.23184	2.0
335.23581	1.0
339.23105	6.9
352.23856	0.9
359.27328	0.8
377.28323	4.1
382.21249	2.9
395.29410	83.3
396.29834	4.7
408.19174	1.0
412.22226	1.3
413.30438	38.5
414.30637	1.6
431.31506	33.2
432.32138	1.2
549.21063	2.2
593.19794	3.1
593.37341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3681
Annotation	floribundasaponin A
Peak:m/z	Relative Intensity
52.98343	1.2
55.01851	2.2
55.05495	5.3
57.03412	1.9
59.04993	3.5
61.02919	3.1
67.05502	7.6
69.03421	9.3
69.07058	16.1
69.36355	5.5
71.04984	6.2
73.02898	2.0
79.05495	8.5
81.03401	3.6
81.07051	12.1
83.04948	1.3
83.08625	2.8
83.93657	1.3
85.02895	27.9
85.06541	2.0
91.05475	6.0
93.07039	11.9
95.04970	2.4
95.08601	18.3
95.10052	1.3
97.02876	6.9
97.06531	2.5
97.10117	1.3
99.04408	3.1
105.07035	15.4
107.08593	12.0
109.02821	2.2
109.10160	11.8
111.08041	1.3
111.11713	2.9
117.06982	2.0
119.08572	15.5
121.06496	3.3
121.10141	5.9
122.06033	2.1
122.09647	1.6
123.04416	1.7
123.08038	2.9
123.11706	5.0
125.09608	4.3
127.03880	6.4
127.11155	7.1
129.06975	1.9
131.08517	8.2
133.06413	1.6
133.10109	11.4
135.08070	3.0
137.05998	1.7
137.13190	3.9
140.16968	1.7
141.09076	2.0
143.08556	5.9
143.10675	1.8
145.04944	7.7
145.06471	1.5
145.10095	10.3
147.07983	3.5
147.11661	9.4
149.09555	2.4
149.13239	3.8
153.01804	1.6
155.08539	3.3
157.10129	7.7
159.07988	2.6
159.11671	6.1
161.09642	3.8
161.13243	1.5
163.06006	4.5
163.11240	1.6
165.12743	7.8
169.10101	2.9
171.08014	1.4
171.11693	4.8
173.09558	10.8
173.13260	3.0
175.11206	5.8
177.12703	1.6
181.10031	3.7
183.11649	5.6
183.13779	10.1
185.09544	3.1
185.13217	4.3
187.11191	4.8
187.14749	1.8
189.12688	3.3
191.10637	3.0
194.10822	1.3
197.13264	2.5
199.11185	4.6
199.14775	4.4
201.12701	10.5
209.13271	3.2
210.34764	1.4
211.14691	1.7
213.12703	4.1
213.16400	2.2
215.14243	3.7
217.09863	2.3
217.15848	1.8
221.13225	2.2
223.14760	3.7
225.12805	1.9
227.14288	2.9
233.09338	1.6
235.14748	1.4
235.16890	4.6
237.16347	2.7
239.14369	2.9
239.17897	2.1
241.15816	8.6
245.12930	1.8
245.15247	1.6
251.17891	1.8
253.15810	1.9
257.18967	2.1
259.16824	5.0
261.08633	7.2
265.15875	2.8
267.17413	4.4
268.18124	4.8
269.18964	6.0
271.10767	3.6
283.16928	5.8
285.18457	11.3
286.19235	36.1
287.10315	8.0
287.19934	5.7
301.17932	25.3
302.18436	2.5
325.11713	1.5
327.17938	4.3
336.16986	2.0
364.12814	3.6
382.21207	1.9
395.29410	14.4
398.17154	6.9
408.19067	9.3
411.28796	26.2
412.22400	1.6
413.30447	100.0
414.30774	4.0
424.18765	2.8
426.16748	1.6
429.29883	11.2
431.31482	50.5
432.31927	4.0
438.20160	10.3
447.31216	8.0
517.24353	4.1
563.24939	2.2
593.28699	4.5
593.37347	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.3
55.16588	1.8
67.05503	6.3
69.03413	2.5
69.07072	9.4
71.05016	1.8
79.05488	5.1
81.03432	2.0
81.07040	14.3
81.95419	1.7
83.08640	2.4
85.02898	10.9
88.42971	1.5
91.05492	6.0
93.07040	13.5
95.04958	4.0
95.08601	25.1
105.07033	13.5
107.08585	11.4
109.06487	3.0
109.10156	19.0
111.08161	2.4
117.07048	2.4
119.08568	8.4
121.06537	3.2
121.10145	7.9
122.09660	3.1
123.11698	6.0
129.07016	2.4
131.08549	17.7
133.10091	9.0
135.11679	2.4
137.05925	1.9
139.07497	3.0
143.08560	8.9
145.10072	14.3
147.11670	3.1
155.08505	2.2
157.10062	9.5
159.08066	10.3
159.11671	4.9
161.09641	4.7
171.11674	8.0
173.09641	6.0
173.13287	4.0
175.11151	2.3
181.10167	1.8
183.11659	3.2
185.13306	4.3
187.14798	3.3
188.19057	1.9
195.11627	3.1
197.13237	5.0
199.14799	15.4
201.12743	3.3
209.13251	4.0
213.12730	3.4
215.14310	2.9
217.09875	2.4
223.14740	3.0
225.12837	3.2
225.16562	2.8
227.08344	2.9
227.14249	4.1
233.15446	2.2
241.15959	3.2
243.11397	4.1
253.15968	5.7
255.17336	2.4
255.21115	3.2
259.10629	3.3
259.16977	1.8
261.08636	20.3
261.18542	2.8
267.17450	3.1
269.18927	2.6
271.10757	2.0
271.16891	25.8
284.17929	1.9
285.18390	12.8
286.19189	4.8
287.07523	1.4
287.10239	36.0
289.17816	4.6
297.18713	2.2
303.21164	2.3
307.20648	1.9
309.21939	2.4
311.19943	3.1
321.22067	4.8
325.21472	4.3
326.22406	4.7
327.23105	4.5
339.23190	15.5
357.24130	3.4
377.28433	4.1
395.29410	100.0
396.29855	5.3
398.16910	14.2
399.17349	2.2
408.19098	5.3
411.28714	3.5
412.22485	1.9
413.30484	45.6
414.30704	5.4
424.18402	9.9
431.31680	12.4
438.20215	4.2
563.27423	2.7
575.36072	2.7
593.30121	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	593.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.1
55.05488	4.4
55.69099	1.3
56.61333	1.3
57.03407	1.5
66.19045	1.3
67.05509	8.5
69.03415	6.1
69.07065	10.8
70.71505	1.8
71.05009	1.4
73.94627	1.4
78.76341	1.4
79.05495	7.1
81.03393	3.2
81.07046	14.7
83.04950	1.8
83.08582	2.6
85.02930	7.1
85.03333	1.5
91.05478	8.4
93.07043	11.9
93.59097	1.2
95.04950	2.7
95.08598	19.0
97.02885	20.4
97.06507	2.3
97.10161	2.3
98.03211	3.4
105.07027	10.7
107.04916	2.0
107.07342	6.8
107.08571	9.4
109.02843	2.2
109.10145	10.5
117.06993	3.4
119.08569	9.0
121.06471	3.8
121.10098	4.8
122.09657	54.0
123.09998	2.2
123.11663	2.3
127.03883	1.8
127.11137	2.1
129.06978	1.8
131.08527	6.2
133.10143	7.7
135.11670	3.9
136.07545	1.7
137.05992	1.5
143.08536	5.1
145.10098	13.5
147.07950	2.0
147.11661	9.4
149.13213	2.0
153.01814	20.1
154.02138	6.5
155.08519	3.9
157.10155	7.4
159.11682	8.1
161.09592	2.3
161.13269	2.3
169.10095	2.5
171.08075	2.0
171.11681	2.7
173.09608	3.2
173.13295	3.5
175.11148	9.4
175.14891	1.9
181.09987	1.6
183.02806	2.8
183.11566	3.0
184.03146	1.5
185.13251	2.8
191.10635	2.3
195.11618	2.7
197.13200	2.0
199.11064	1.6
199.14693	3.2
201.12660	1.6
201.16411	3.2
202.07281	3.1
203.14140	1.8
209.13181	3.0
211.14719	1.6
213.12589	1.9
215.14099	1.5
217.09645	4.8
221.13377	1.4
225.16203	2.4
228.08826	3.1
233.09151	5.5
235.10764	2.3
237.16348	1.7
239.17834	6.3
243.11343	3.1
253.15710	4.2
255.17262	1.7
257.18896	5.1
259.10724	3.1
260.13898	2.0
261.08707	32.9
261.12073	2.6
265.15784	1.4
267.17444	9.7
268.05319	1.6
268.18130	3.1
271.16821	3.9
279.17462	2.8
285.05951	8.5
285.18469	43.2
286.06360	8.3
286.19119	8.0
287.10257	32.9
295.20453	1.8
297.18475	2.5
299.19925	4.0
311.19827	3.4
312.20877	1.9
313.21481	4.5
326.21890	1.8
327.23074	2.4
339.23099	2.0
344.16879	1.6
355.06363	8.5
364.12869	8.0
367.26135	2.3
377.28284	8.2
380.19559	3.1
382.20996	4.2
385.14471	1.9
395.29407	84.3
396.29587	4.5
398.16714	11.8
398.20724	1.6
400.21930	4.1
408.19284	14.7
412.22476	1.6
413.30460	100.0
414.30722	3.9
416.28021	1.7
424.18536	11.5
430.23389	13.0
431.31204	4.4
438.20297	27.6
456.21057	2.7
472.20462	2.8
485.60727	1.6
497.97369	1.4
545.27167	4.1
563.28186	3.4
575.28564	21.6
576.28894	2.4
593.25024	96.0
594.25403	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	594.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
53.39801	1.2
55.01847	3.3
55.05502	8.0
57.03435	5.9
57.03747	1.3
57.07056	1.3
59.05000	17.1
61.02925	10.1
66.02731	1.2
67.05506	10.1
69.03418	22.3
69.07066	6.6
70.07410	1.5
71.01352	1.9
71.04984	8.1
72.28359	1.2
73.02921	3.5
79.05482	9.5
81.03403	8.0
81.07050	25.5
83.04965	3.7
83.08621	1.9
85.02897	100.0
86.03207	1.8
87.04453	3.7
91.03943	3.7
91.05482	8.7
93.07037	14.5
95.04968	3.7
95.08595	43.3
97.02882	30.6
97.06535	2.8
97.10175	2.4
98.22666	2.5
99.04446	9.8
99.08060	1.4
103.03954	1.9
105.07027	22.2
107.08584	21.6
109.02876	9.8
109.06500	4.6
109.10147	7.9
113.09620	2.3
115.30727	1.4
117.07009	1.7
119.08575	19.3
120.08921	1.7
121.06495	3.2
121.10147	10.5
123.08053	10.6
123.11695	12.7
125.09615	19.3
127.03906	22.8
129.06992	2.2
131.08554	9.2
133.10120	26.2
134.10486	1.4
135.08034	2.0
135.11659	3.1
137.09631	2.2
137.13226	10.6
139.11166	5.9
141.09050	11.3
143.08522	4.8
143.10667	3.3
145.04944	41.8
145.10159	7.9
147.07999	1.5
147.11664	24.9
149.09633	3.2
149.13225	4.0
153.01723	1.8
155.08533	1.5
157.10152	5.3
159.11661	7.6
161.09641	3.8
161.13246	1.7
163.06010	24.7
163.11218	1.6
165.12723	54.0
167.10620	2.4
171.11668	3.6
173.09569	3.3
173.13280	2.1
175.11150	2.6
177.12737	4.3
180.09349	1.4
183.13782	66.7
185.11627	2.1
185.13208	2.3
185.39424	1.4
187.11098	2.3
189.12743	1.8
189.16338	5.3
199.11229	1.6
199.14774	4.7
201.12726	3.2
207.13773	1.9
217.15822	13.2
231.81462	1.5
235.16881	30.0
261.08691	3.2
262.09061	2.6
269.18771	2.3
271.10770	1.9
273.14877	3.1
286.19141	4.1
287.10236	2.9
287.19818	3.2
288.10626	4.1
289.09149	4.8
291.15973	3.6
301.17960	7.3
302.18295	9.0
309.16913	4.4
325.11118	10.2
327.17993	28.7
345.18942	6.8
378.28876	1.7
395.29599	1.8
396.29510	4.3
398.17032	1.9
399.17386	3.1
409.19339	2.6
411.28931	4.9
412.29184	12.0
413.30344	5.9
414.30853	16.7
429.29797	2.3
430.30237	5.1
431.31476	2.8
432.31766	10.6
439.20419	3.3
448.31461	4.0
518.24512	5.8
528.21246	1.4
546.24072	2.0
564.25897	1.6
576.29047	2.1
593.36377	1.6
594.28552	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.7
55.05513	18.5
57.03430	9.3
60.55387	2.2
67.05495	20.5
69.03439	3.0
69.07048	3.7
70.09812	6.6
70.10172	2.6
70.50592	2.1
78.44152	2.7
79.05477	16.5
81.03410	46.5
81.07046	17.9
83.04971	5.5
83.08605	12.3
91.05468	17.5
93.07057	12.8
95.04948	21.7
95.08603	8.5
97.06540	3.5
97.10160	15.4
98.23414	3.4
104.17928	2.4
105.07007	10.6
107.04958	10.6
107.08598	10.1
109.06490	12.1
109.10122	5.9
111.08098	4.9
117.07028	5.2
119.08559	11.6
121.06496	11.1
121.10129	9.0
123.08056	3.9
125.09628	10.0
129.07008	7.1
131.08522	11.4
133.06470	3.6
133.10094	5.8
135.08025	3.7
137.99551	2.4
143.08617	3.6
145.06493	6.6
145.10147	3.6
147.08078	6.6
147.11678	6.8
149.09618	4.9
153.09119	2.7
157.10162	6.4
175.11174	4.2
189.11214	3.6
193.12251	12.3
219.13779	6.9
233.15356	3.3
267.15894	41.9
273.14798	6.0
303.51212	2.5
349.21475	4.7
367.22632	19.9
368.22675	3.3
385.23691	28.0
403.24814	13.8
441.26202	7.0
459.27338	100.0
460.27872	6.4
477.28424	61.8
478.28165	3.3
491.30145	14.0
509.30728	4.2
594.29102	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	594.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.9
53.21933	4.8
54.31944	5.2
55.01868	20.0
55.05512	33.6
57.03430	18.0
57.07077	6.2
62.62073	5.2
65.79757	5.1
67.05503	68.6
69.07070	37.5
71.05000	12.3
79.05493	63.6
81.03410	57.4
81.07056	75.9
83.04972	13.4
83.08613	23.3
85.02895	17.3
87.92196	4.9
88.07626	8.9
91.05475	84.9
91.05994	8.9
93.07038	52.0
95.01315	8.6
95.04959	28.8
95.08601	36.6
97.02910	5.8
97.06506	35.6
97.10199	8.0
98.23460	15.8
105.07029	100.0
106.20615	5.4
107.04954	25.8
107.08604	21.7
109.06521	9.9
109.10140	13.5
111.08090	9.2
117.07027	18.0
119.08575	51.3
120.38900	4.8
121.10150	17.6
123.08048	9.0
123.11630	5.6
129.07034	15.4
131.08580	31.1
133.06422	5.6
133.10124	47.8
135.11725	10.3
137.09593	6.9
145.10124	25.8
147.11665	27.1
149.09584	29.4
149.13304	5.1
157.10161	12.3
158.03886	5.1
159.11682	14.9
160.11217	15.0
161.95525	5.2
163.11177	9.2
169.29260	4.9
175.11182	9.6
179.14328	13.4
183.11748	5.3
193.12215	29.2
211.13213	36.2
219.17366	5.1
256.26392	11.0
257.19104	6.2
258.08859	16.4
267.15970	14.3
275.20047	87.1
279.15820	6.2
285.16937	53.8
300.28964	9.0
349.23685	31.6
367.24841	6.2
541.34918	27.6
559.36304	65.7
576.45758	13.5
594.47815	7.0
595.28381	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	594.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	18.5
55.05502	45.7
57.03419	20.8
57.07058	19.6
65.03923	7.6
67.05495	74.6
69.03412	11.1
69.07061	34.0
69.66718	29.6
71.05008	11.0
71.08632	14.5
77.82906	7.6
79.05490	76.8
81.03403	29.6
81.07054	81.5
83.04980	19.3
83.08610	41.6
85.02887	13.1
86.75903	8.5
91.05476	97.5
93.07041	84.6
95.04971	37.1
95.08603	48.2
97.06519	21.7
97.10149	9.9
98.22744	9.8
105.07022	100.0
107.04956	14.9
107.08589	50.9
109.06500	15.0
109.10144	32.7
112.03019	8.4
113.09631	8.5
117.07005	29.8
119.08573	58.4
121.10141	28.3
123.08064	13.6
125.09566	13.9
129.06993	15.4
131.08565	32.7
133.10104	56.4
135.11690	27.4
143.08554	11.4
145.10126	36.3
147.11676	44.3
149.09598	14.5
149.13266	13.7
155.08449	10.2
157.10118	23.0
159.11694	32.9
161.13284	25.6
163.11205	24.4
171.11623	15.5
173.13234	19.2
175.14763	10.4
185.13374	13.1
193.12228	9.3
199.14903	13.8
211.13251	21.5
219.17387	16.3
227.12807	21.0
231.20976	9.7
241.19482	26.7
254.88083	9.4
259.20526	71.6
267.15952	9.9
275.20102	18.9
283.01987	11.0
283.15359	49.9
285.17056	19.8
299.14893	11.2
333.24115	39.6
349.23877	14.8
415.22263	23.1
541.35339	43.4
559.35913	36.8
595.28455	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	595.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
68.99770	8.1
69.03436	1.4
70.82861	1.2
81.03406	3.8
91.05447	1.8
95.04954	2.1
103.05451	1.3
105.03425	1.4
107.04945	1.9
109.02868	2.8
111.00795	4.8
111.04419	2.1
119.04942	1.9
121.02850	1.7
123.03523	1.5
123.04420	32.6
127.03905	100.0
133.02913	1.1
135.04408	9.4
137.02309	1.3
139.03886	91.1
140.04251	1.1
147.04407	8.4
149.02339	5.1
151.03896	24.3
153.01831	1.8
159.04424	1.4
161.05896	1.7
163.03918	13.3
165.05481	4.7
167.03397	6.7
175.03900	13.6
177.05443	4.6
179.03384	29.0
181.04910	2.2
185.06006	1.7
187.03928	1.7
189.05470	3.2
191.03378	15.8
193.04948	4.6
197.05968	1.9
199.04033	2.1
201.05484	5.2
203.03358	20.4
205.04961	2.3
207.06444	2.0
213.05476	4.5
215.07040	1.9
217.04942	4.3
229.04991	6.2
231.06471	3.4
233.04398	6.1
241.04910	2.5
243.06572	1.5
245.04407	13.0
247.05975	9.9
251.05531	2.1
251.77409	1.3
257.04410	15.3
259.05972	5.0
263.05524	10.0
269.04520	5.0
271.06058	7.4
275.05478	25.1
283.06009	3.2
287.05457	48.7
288.05917	2.3
289.06973	3.9
291.08530	9.7
299.05423	19.8
301.07025	3.7
303.08533	2.0
305.06647	6.3
317.06555	15.7
409.09116	9.9
421.08102	1.4
425.08640	12.4
427.10165	3.5
443.09604	5.2
451.10211	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	595.165
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
55.71444	1.4
57.03417	2.5
61.02925	1.8
63.27393	1.3
65.03917	1.6
65.77254	1.3
70.54620	1.5
70.54935	1.9
72.82397	1.4
81.03414	1.7
82.13982	1.3
85.02914	5.7
93.03423	1.9
96.34473	1.6
103.03941	1.5
107.04938	2.2
109.02903	3.6
119.04899	7.0
121.02840	36.7
137.05875	1.6
145.02843	4.2
163.03891	3.6
165.01860	1.8
175.03915	1.8
176.01042	2.3
177.01825	3.8
177.05396	1.9
179.03358	3.6
185.05984	1.5
187.03911	2.5
189.01772	10.8
191.03386	7.2
195.02855	4.1
197.73828	1.4
201.01778	1.8
201.05466	3.1
203.03349	13.5
205.04941	3.2
207.02850	9.6
211.03917	1.6
215.03378	3.9
215.06921	1.5
217.04961	5.8
219.02931	7.0
221.04335	3.1
227.03371	2.3
229.04935	3.5
231.02730	2.9
233.04489	1.8
239.03255	2.4
239.07002	1.5
240.30960	1.5
255.02972	4.4
257.04431	3.3
267.06500	4.2
268.07275	5.7
269.08212	1.6
279.06482	5.0
280.07269	2.9
281.08005	5.3
282.05093	1.8
283.05963	7.3
284.06683	3.1
285.03928	3.9
291.06488	3.2
293.07977	6.2
294.05225	19.2
295.05966	80.3
296.06616	10.7
297.07541	9.8
305.08047	3.0
307.05972	44.2
308.06741	20.9
309.07513	15.1
313.06992	5.2
317.07956	3.1
319.06088	8.3
320.06833	5.4
321.07498	32.1
322.08273	10.0
323.05560	3.4
323.09070	5.3
325.07019	100.0
326.07346	4.2
333.07343	9.8
334.08148	2.0
335.05331	2.3
335.09030	15.2
336.06165	3.7
337.07010	67.6
337.10233	2.5
338.07541	2.2
339.08676	2.7
345.07730	4.0
347.09131	11.4
349.07004	29.9
349.10916	3.2
351.08585	19.8
355.08069	20.7
357.07416	2.8
361.06934	16.2
361.10846	2.4
363.08429	8.2
365.10187	11.2
367.07971	4.0
373.06699	7.0
375.08554	11.3
379.08063	58.4
380.08603	2.8
385.06845	2.3
387.08340	2.7
389.10327	2.7
391.08047	29.2
391.13025	1.8
401.10388	3.1
403.08084	21.7
404.07849	1.7
409.09091	44.4
410.09436	2.1
413.09998	2.0
415.08298	3.3
417.09775	2.8
421.09158	26.3
427.10236	41.8
428.09854	2.1
429.09824	2.5
433.09216	3.4
439.10193	33.3
445.10367	7.6
457.11230	88.2
458.11322	4.1
463.10382	7.9
475.12332	20.1
481.11203	30.1
487.10403	5.2
493.11331	3.7
499.12271	19.7
505.11316	7.3
511.12299	20.5
523.12262	23.0
529.13330	7.3
541.13275	24.5
542.92072	1.7
559.14331	18.1
577.15302	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	595.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92307	0.5
52.60190	0.5
55.01855	1.5
65.03936	5.4
66.30034	0.6
67.05479	2.5
69.03415	1.0
69.44076	2.2
78.04679	1.6
79.05499	4.7
81.03384	0.8
81.07058	0.7
82.04182	1.4
85.02906	3.1
89.03878	1.0
91.04958	1.3
91.05479	17.0
92.06253	2.7
93.03365	2.0
94.04183	0.6
95.04964	3.3
97.06516	1.9
98.22797	1.2
98.23447	1.1
103.05483	2.6
105.03368	1.1
105.04507	0.9
105.07005	2.7
106.04179	1.1
107.04951	13.8
108.02120	1.0
109.06480	0.6
110.03639	2.1
111.04423	1.6
115.05443	5.4
116.06228	0.8
117.07016	5.3
118.04121	1.2
119.04948	8.9
120.05724	12.3
121.02902	0.8
121.06479	2.3
122.03615	1.2
123.00798	0.6
123.04427	4.1
124.05219	1.5
125.05965	3.3
128.06206	1.3
129.06982	1.3
130.07689	0.8
131.04910	4.2
133.02850	1.9
133.06479	3.7
134.03618	1.5
135.04439	3.8
136.05161	0.8
137.05977	8.5
138.03123	1.0
141.82407	0.5
142.02557	1.2
143.04897	1.4
144.05731	0.7
145.06479	7.5
147.04399	9.9
147.08018	1.6
148.05191	8.6
149.05968	1.8
151.03874	1.9
151.07524	1.1
152.04636	1.5
153.05469	3.6
154.06238	1.6
155.06007	2.3
157.06488	1.3
158.07253	1.7
159.04355	1.0
159.08028	1.2
160.05209	0.7
161.05994	6.0
163.03928	1.0
163.07558	0.7
164.04715	0.8
165.04063	1.0
165.05466	19.0
166.06122	0.7
167.07028	43.5
168.07391	1.0
171.06546	5.9
172.05153	0.6
173.05974	7.5
174.06706	0.9
175.03941	0.6
175.07567	2.9
177.05496	3.9
178.06236	0.7
179.07039	2.4
180.07797	2.3
181.04941	100.0
182.05386	1.4
185.05928	1.2
186.06776	1.0
187.07555	1.2
189.05428	1.8
189.09073	0.7
190.06226	1.1
191.07008	1.7
193.05019	0.6
193.08644	0.8
195.06709	0.7
201.05479	2.1
203.07057	1.4
205.04897	2.6
205.08592	6.8
207.06395	0.8
208.07329	1.7
214.06206	1.1
217.08659	0.9
219.06479	0.8
220.07259	7.9
221.08052	3.7
226.08238	0.8
231.06514	1.7
233.08037	2.9
234.08916	2.2
235.09599	7.6
247.07396	0.7
265.08569	0.6
277.08633	0.7
279.10159	0.6
291.10214	1.5
297.11212	0.5
307.09702	1.2
317.10110	0.8
337.10541	0.8
340.13058	2.0
355.11731	2.1
367.11752	0.7
368.12457	1.6
369.12839	0.6
370.14075	6.5
373.12729	1.3
381.13550	0.6
385.12793	14.6
386.13397	1.2
387.14343	3.4
398.13617	17.1
400.15463	0.6
401.12387	1.7
415.13873	8.4
416.14621	82.3
417.15326	13.3
430.12286	1.1
547.28107	1.2
565.20569	1.3
577.29156	1.5
595.21570	5.6
595.30713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01854	1.8
65.03923	5.9
67.05474	2.1
69.03400	1.4
70.04029	0.7
74.51881	0.5
77.03926	0.8
78.04680	2.2
79.05480	4.5
80.01255	0.7
81.03403	1.2
82.04184	1.6
85.02873	3.2
89.03936	0.7
91.05466	18.6
91.06039	0.9
92.06240	2.8
93.03358	1.8
95.04970	3.2
97.06519	1.2
103.05434	2.7
105.03368	1.1
105.07014	3.3
106.04143	1.6
107.04938	15.8
110.03645	2.8
111.04402	1.8
115.04891	0.5
115.05452	5.6
117.07015	4.9
118.04108	0.7
118.27149	0.6
119.04933	6.6
119.08492	0.9
120.05704	15.2
121.02812	0.6
121.06516	3.0
122.03629	1.0
123.04411	4.4
124.05138	1.1
125.05937	1.8
127.05396	0.8
128.06201	1.2
129.06935	1.7
131.04921	5.1
132.05652	0.9
133.02835	1.9
133.06462	4.2
134.03645	0.9
135.04420	4.1
136.05162	0.7
137.05951	10.5
138.03104	1.4
139.03886	0.6
141.06987	0.6
142.02589	0.8
143.04878	0.9
144.05661	1.3
145.06464	6.8
147.04401	9.0
147.08000	2.2
148.05176	9.7
149.05923	1.7
151.03859	2.0
151.07492	1.8
152.04614	0.7
153.05429	4.2
154.06186	2.3
155.05948	1.5
155.12691	0.7
156.05571	0.8
157.06456	1.4
158.07233	1.7
159.04346	2.5
159.07991	1.0
160.05174	1.0
161.05934	5.5
163.03830	1.3
163.07568	0.8
165.05455	20.2
167.07013	43.4
171.06522	6.0
172.05093	0.8
173.05960	6.6
175.07462	3.3
177.05461	4.6
179.03354	1.0
179.06979	2.5
180.07825	1.9
181.04924	100.0
182.05370	1.8
185.05934	1.8
186.06737	1.1
187.07542	1.2
188.08507	0.8
189.05388	2.6
189.09081	0.7
190.06265	1.0
191.06952	2.1
195.06482	0.9
199.03645	0.6
201.05385	1.9
203.06924	2.4
205.04909	2.5
205.08516	8.0
207.06447	1.1
208.07266	1.9
213.05492	0.9
214.06223	1.8
217.08507	0.8
219.06482	2.3
220.07225	8.7
221.07953	3.3
223.53915	0.6
233.08000	1.7
234.08803	2.2
235.07529	1.1
235.09602	7.4
247.07504	0.7
249.09050	0.7
251.08997	0.6
265.08603	0.9
271.09787	0.7
277.08466	0.8
279.10144	1.0
291.10077	2.2
306.12747	0.6
307.09573	2.1
317.10309	1.2
337.10544	0.9
339.12332	1.0
340.12997	2.3
349.10364	0.7
355.11774	1.7
367.11536	1.1
368.12469	2.2
369.13254	0.7
370.14041	7.2
373.12668	1.4
385.12738	14.1
386.13229	1.2
387.14380	2.6
398.13501	13.9
399.13971	0.8
401.12292	1.3
415.13791	10.3
416.14584	85.6
417.15253	11.9
430.12030	1.4
509.43225	0.6
565.20850	1.1
595.24591	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	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
57.03424	6.3
59.81364	2.0
65.03934	2.4
67.05493	36.8
69.07060	8.2
70.03378	6.4
71.27895	2.3
77.12158	1.8
79.05487	16.4
81.03417	10.3
81.07053	28.9
82.69395	1.8
82.74080	2.4
83.08597	2.6
84.15255	2.3
85.02879	2.7
91.05481	8.9
91.30678	1.9
93.07034	22.8
95.04934	2.5
95.08596	22.5
98.22682	2.3
98.98448	29.9
104.10690	2.5
105.07009	4.0
107.08582	9.9
109.02871	7.2
109.10139	9.2
113.52763	2.1
119.08540	6.0
121.10120	8.6
123.11692	3.7
131.08536	3.7
133.10077	2.5
135.11673	4.3
145.10086	3.7
161.13202	2.0
163.05988	3.3
168.48343	2.4
261.03592	7.2
261.22040	4.5
317.24634	3.0
335.07416	3.2
335.21652	5.0
335.25739	100.0
336.26190	5.1
395.90659	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3838
Annotation	Aldecalmycin
Peak:m/z	Relative Intensity
53.03915	0.9
55.05499	1.7
57.03439	0.7
66.67446	0.5
67.05499	4.7
69.03417	1.1
69.07038	4.1
69.07345	1.3
69.07722	1.3
71.05011	0.7
73.26793	0.5
79.05477	6.6
81.03413	1.2
81.07047	35.8
83.04981	1.1
83.08625	1.1
85.02901	3.0
85.06558	0.5
91.05463	5.3
93.07043	6.4
95.04957	1.5
95.08595	10.9
97.02898	1.4
97.06495	1.4
99.04445	1.2
99.08084	25.2
100.08434	0.7
103.05502	0.6
105.03383	1.0
105.07027	8.5
107.04964	2.0
107.08590	7.1
109.06525	0.8
109.10133	8.3
111.08133	0.9
117.07018	2.1
119.04961	1.1
119.08554	4.7
121.06496	2.2
121.10145	3.7
122.09646	2.1
123.08041	0.6
123.11697	1.3
125.09579	0.6
129.06998	1.3
131.08551	3.5
133.06435	1.1
133.10112	6.1
135.07993	1.2
135.11671	2.4
137.05966	2.4
137.09634	0.6
143.08560	2.0
145.06456	0.7
145.10112	4.3
147.04414	1.4
147.08044	2.0
147.11658	5.2
149.09550	0.9
149.13213	1.6
153.01834	1.4
155.08467	0.7
157.10112	4.3
159.11708	2.6
161.09596	2.4
161.13260	2.1
163.11258	1.0
165.05515	1.3
167.07010	6.8
167.08289	0.6
169.10121	1.2
171.11667	1.8
173.09641	2.2
173.13243	1.7
175.11148	8.8
181.04921	6.0
181.10072	1.0
183.11674	0.9
185.13232	1.4
187.14821	0.9
189.12727	1.1
193.12195	3.3
195.11678	1.4
197.13251	1.0
199.14851	1.4
201.12692	1.6
201.16373	1.2
203.17891	0.7
205.08505	0.6
209.13264	1.5
211.14804	1.4
213.12675	0.6
213.16347	0.8
215.17924	0.7
227.14247	0.8
229.15746	1.5
235.09764	0.7
241.19456	0.7
251.17892	1.7
253.19629	0.7
261.08878	0.8
265.19650	0.7
269.18973	4.1
273.18439	1.2
281.22501	0.7
285.18546	1.8
286.19153	1.6
287.10220	1.2
287.20078	3.6
288.10233	0.7
313.12091	0.6
323.23831	1.1
329.25000	0.6
341.24789	1.5
354.18161	0.7
379.29788	1.7
385.13174	0.8
397.30966	8.0
408.19217	1.5
415.31915	7.7
416.14682	2.7
417.15399	1.2
426.19971	1.6
426.28265	0.7
433.33087	100.0
434.33545	2.8
577.29321	1.8
595.21747	2.3
595.30463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.05499	1.7
57.03439	0.7
66.67446	0.5
67.05499	4.7
69.03417	1.1
69.07038	4.1
69.07345	1.3
69.07722	1.3
71.05011	0.7
73.26793	0.5
79.05477	6.6
81.03413	1.2
81.07047	35.8
83.04981	1.1
83.08625	1.1
85.02901	3.0
85.06558	0.5
91.05463	5.3
93.07043	6.4
95.04957	1.5
95.08595	10.9
97.02898	1.4
97.06495	1.4
99.04445	1.2
99.08084	25.2
100.08434	0.7
103.05502	0.6
105.03383	1.0
105.07027	8.5
107.04964	2.0
107.08590	7.1
109.06525	0.8
109.10133	8.3
111.08133	0.9
117.07018	2.1
119.04961	1.1
119.08554	4.7
121.06496	2.2
121.10145	3.7
122.09646	2.1
123.08041	0.6
123.11697	1.3
125.09579	0.6
129.06998	1.3
131.08551	3.5
133.06435	1.1
133.10112	6.1
135.07993	1.2
135.11671	2.4
137.05966	2.4
137.09634	0.6
143.08560	2.0
145.06456	0.7
145.10112	4.3
147.04414	1.4
147.08044	2.0
147.11658	5.2
149.09550	0.9
149.13213	1.6
153.01834	1.4
155.08467	0.7
157.10112	4.3
159.11708	2.6
161.09596	2.4
161.13260	2.1
163.11258	1.0
165.05515	1.3
167.07010	6.8
167.08289	0.6
169.10121	1.2
171.11667	1.8
173.09641	2.2
173.13243	1.7
175.11148	8.8
181.04921	6.0
181.10072	1.0
183.11674	0.9
185.13232	1.4
187.14821	0.9
189.12727	1.1
193.12195	3.3
195.11678	1.4
197.13251	1.0
199.14851	1.4
201.12692	1.6
201.16373	1.2
203.17891	0.7
205.08505	0.6
209.13264	1.5
211.14804	1.4
213.12675	0.6
213.16347	0.8
215.17924	0.7
227.14247	0.8
229.15746	1.5
235.09764	0.7
241.19456	0.7
251.17892	1.7
253.19629	0.7
261.08878	0.8
265.19650	0.7
269.18973	4.1
273.18439	1.2
281.22501	0.7
285.18546	1.8
286.19153	1.6
287.10220	1.2
287.20078	3.6
288.10233	0.7
313.12091	0.6
323.23831	1.1
329.25000	0.6
341.24789	1.5
354.18161	0.7
379.29788	1.7
385.13174	0.8
397.30966	8.0
408.19217	1.5
415.31915	7.7
416.14682	2.7
417.15399	1.2
426.19971	1.6
426.28265	0.7
433.33087	100.0
434.33545	2.8
577.29321	1.8
595.21747	2.3
595.30463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02571	0.6
52.45491	0.6
55.05508	3.6
57.03442	0.8
65.43793	0.6
67.05503	9.9
69.07061	7.9
71.04999	1.4
71.42336	0.7
79.05486	3.0
81.03425	0.7
81.07062	7.9
83.08601	2.2
84.93528	0.7
85.02916	2.9
91.05486	2.8
93.07038	5.0
95.04983	1.6
95.08607	8.6
97.02903	3.0
97.06537	0.8
97.10106	1.1
100.11276	2.0
103.05485	0.8
105.07020	6.6
107.05003	0.8
107.08583	6.1
109.10157	36.6
111.04408	0.7
111.60208	0.7
117.07044	1.1
119.08570	5.0
121.06510	2.0
121.10135	5.0
122.09679	1.9
123.08064	1.1
123.11710	2.4
125.67901	0.7
127.11182	4.3
129.06992	0.9
131.04916	1.5
131.08586	2.3
133.10126	4.7
135.08046	0.7
135.11679	2.0
142.07755	0.8
143.08585	1.7
145.06473	0.9
145.10098	3.6
147.08080	1.1
147.11691	4.0
149.13248	1.4
153.01794	1.9
155.08533	1.0
156.13879	1.1
157.10115	3.0
159.11726	2.6
161.09648	0.9
161.13194	1.3
163.14809	1.6
167.07069	4.6
171.11647	1.7
171.95964	0.8
173.09671	2.1
173.13290	1.7
175.07637	0.8
175.11174	6.8
175.14777	1.2
181.05009	0.8
182.15398	0.8
183.11827	1.2
185.13268	1.4
187.07582	0.8
187.14746	0.7
189.16402	1.1
193.12254	4.4
197.13342	1.4
201.16356	1.9
203.17894	1.5
206.07217	0.8
210.14928	1.2
211.14781	0.8
215.14314	0.9
243.11371	1.2
247.89600	0.8
251.05576	1.5
251.17996	0.8
253.19626	1.4
255.17467	1.4
261.08783	1.5
261.18289	0.7
265.08380	0.8
269.18936	2.0
273.18497	2.7
285.18433	1.1
286.19183	1.7
287.10196	1.3
287.20001	2.1
309.10974	0.9
323.23639	1.3
337.10669	3.2
339.12292	0.8
341.13950	1.4
341.24664	2.3
367.11816	1.2
369.13367	2.2
379.29922	3.2
397.30945	8.9
400.18768	1.9
408.19116	1.2
415.32083	4.5
418.13638	0.8
433.33124	100.0
434.33496	4.5
438.20193	2.0
472.31717	0.8
577.30255	5.7
594.45160	0.8
595.18469	1.2
595.26855	3.1
595.45978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01858	10.2
55.05503	54.3
57.03431	21.4
57.07045	2.3
57.11230	2.0
59.04993	6.2
61.02914	6.2
65.03939	2.9
67.05499	100.0
69.03421	4.3
69.07067	13.6
69.14013	13.2
71.04991	5.3
73.02903	3.0
73.19839	1.7
79.05481	28.9
81.03410	13.8
81.07055	38.7
83.04987	15.9
83.08614	19.2
83.57810	2.0
85.02901	22.4
85.06536	3.4
85.74062	1.9
87.04460	8.4
91.05460	17.4
93.07033	17.8
95.04953	8.2
95.08600	14.9
97.02872	8.2
97.06524	5.5
97.10165	38.8
103.03942	10.0
104.23177	2.1
105.07028	6.5
107.04964	5.2
107.08585	19.7
109.06486	3.2
109.10146	81.6
111.04427	5.0
111.08067	5.6
117.06960	4.0
119.08555	10.0
121.10123	5.5
123.04418	2.5
125.09615	48.4
131.08537	2.5
133.10114	3.6
135.08031	2.2
135.11662	6.0
137.09595	2.2
141.88794	2.5
143.10638	7.5
145.10123	7.1
147.11545	2.2
153.12791	10.5
155.10640	11.0
163.11156	18.3
173.09576	3.7
173.10240	3.0
173.11736	43.5
173.13228	2.5
173.77225	1.8
181.12206	8.0
182.99678	2.0
191.10626	5.7
193.12248	4.1
199.13287	6.6
209.11685	11.6
217.14261	6.2
227.12801	13.7
229.14328	71.9
230.14668	2.6
245.13814	3.9
256.82776	2.0
257.13867	22.1
261.62387	2.1
263.96350	2.2
275.96933	2.3
283.15393	16.0
301.16425	35.6
313.39365	2.0
319.17401	12.2
326.41879	2.1
399.23560	4.9
540.26471	2.4
596.31183	1.9
597.32135	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	596.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.0
57.03438	17.8
62.12294	6.5
65.03952	6.3
67.05503	80.1
67.46731	5.5
69.07069	26.2
69.40338	5.6
69.55273	5.9
69.55621	25.8
71.08620	14.0
79.05483	64.8
81.03407	22.0
81.07043	100.0
81.77541	5.3
83.04999	16.2
83.08607	28.0
85.02896	5.3
88.74718	6.4
89.04031	7.1
91.05471	53.5
93.07043	67.4
95.04962	23.3
95.08601	43.3
97.06545	12.1
97.12940	6.0
99.08080	13.9
105.07005	45.3
107.04934	11.2
107.08587	41.1
109.06510	6.5
109.10170	8.6
111.08060	10.9
113.83057	5.4
115.58706	6.2
117.07024	9.4
119.08549	30.8
121.10119	37.5
123.11646	7.4
129.07033	11.3
131.08540	18.8
133.10138	32.4
135.08034	7.6
135.11685	27.5
137.09579	7.3
145.10013	8.9
147.11678	13.8
149.09633	10.4
149.13263	17.5
151.11194	7.2
159.11684	16.4
179.14253	34.4
193.12260	16.3
195.13814	13.4
211.13252	14.8
267.16061	15.3
269.17490	49.2
275.20160	21.0
275.63544	7.0
277.21503	29.2
285.16861	30.8
342.63425	6.3
344.74902	6.2
349.23587	11.4
351.25189	15.3
449.28888	10.9
453.25461	8.2
463.30664	52.0
543.36469	17.6
545.79688	9.1
561.38000	39.6
597.34357	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	22.3
57.03424	32.7
67.05498	79.7
67.45100	9.5
69.07055	16.1
69.20535	14.4
69.20943	44.2
79.05490	75.3
79.33630	9.5
79.94801	10.2
81.03416	51.9
81.07055	65.3
83.04981	22.7
83.08607	22.3
85.02904	23.6
91.05476	100.0
93.07049	73.2
95.04950	43.1
95.08590	33.8
97.95789	10.0
104.10712	37.6
105.07005	87.4
107.08574	44.2
109.06533	16.4
109.10123	18.8
117.06989	23.5
119.08556	64.5
121.10103	22.7
129.06973	20.9
131.08543	23.2
133.10117	65.1
133.81155	11.6
135.11713	20.3
143.08548	14.6
145.10159	30.6
147.11650	39.1
149.13234	18.6
157.10077	23.5
161.13376	13.8
168.75685	10.5
173.13181	18.9
175.11139	10.7
175.14941	11.8
193.12187	39.1
211.13264	39.7
241.19432	21.2
259.20471	51.9
267.15714	19.4
275.19952	11.1
285.16940	44.1
333.24219	51.5
451.31970	13.7
543.36627	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	596.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	65.5
69.32179	26.9
69.32587	44.6
71.05000	16.0
79.05478	26.5
81.07061	78.9
91.05481	22.4
93.07030	24.5
109.10157	12.0
111.78904	12.6
147.87155	12.8
200.55057	12.5
301.19907	13.1
335.25894	40.0
503.37231	100.0
550.29321	14.3
561.41577	35.5
618.66626	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	597.1444
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03437	2.8
61.02926	2.9
62.50567	0.4
65.58287	0.6
66.32710	0.5
69.03422	4.0
71.01318	0.5
73.02912	6.7
81.03413	1.1
85.02900	5.0
91.03937	1.0
93.07021	0.5
95.04931	0.6
97.02881	3.9
109.02858	1.2
111.00757	0.4
113.96554	0.5
114.05499	0.5
115.03893	2.6
121.02837	1.3
123.04424	1.1
127.03916	2.1
137.02347	2.9
145.04919	0.9
149.02362	0.6
153.01802	6.0
163.03854	0.8
165.01836	2.8
173.05981	0.6
183.02852	1.1
195.02759	0.6
201.05440	1.5
229.04916	4.6
247.06042	0.6
257.04355	2.8
274.04523	0.6
285.03848	1.6
303.04947	100.0
304.02100	0.5
304.05225	3.2
312.99704	0.6
315.04904	1.1
327.04938	0.5
345.06009	2.0
369.05777	1.5
373.09088	1.2
374.09421	1.6
377.17010	0.6
399.06973	1.1
400.07239	1.2
465.10147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03932	1.1
65.05736	0.4
69.03423	4.2
69.39435	1.0
69.39837	1.2
69.91888	0.4
71.04986	2.1
74.62195	0.4
79.01846	2.8
81.03408	6.2
84.04499	0.5
85.02898	2.3
88.33519	0.4
96.04488	6.1
97.02886	5.6
98.09685	0.6
99.04464	0.8
107.01308	1.7
109.02868	5.2
110.05978	0.5
111.25928	0.5
114.05517	52.3
125.02341	4.2
126.05473	0.6
127.03898	5.7
143.03383	6.3
145.04909	0.7
153.01810	100.0
153.02843	4.0
154.02139	1.4
156.06532	1.8
171.02863	8.1
191.03439	0.4
192.72421	0.5
195.02859	0.8
204.52443	0.4
242.95464	0.4
244.51990	0.5
266.06567	50.8
267.06949	1.1
272.94000	0.5
297.06049	4.6
308.07639	1.8
315.07034	5.2
329.36221	0.4
410.10510	1.2
543.14093	0.7
562.11981	0.7
580.12543	1.5
597.19788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2303
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
65.45259	0.3
69.81995	0.3
70.70885	0.6
98.22792	0.3
107.24440	0.4
159.04179	0.4
175.03650	11.1
176.04030	0.3
176.09180	0.3
179.29202	0.3
188.04472	1.3
201.05411	0.3
201.67792	0.3
202.06068	0.5
204.07533	1.8
217.08382	1.4
219.06296	1.9
352.12888	0.5
385.12573	4.4
394.81406	0.4
399.14117	5.2
401.15720	0.5
413.15952	0.5
447.56894	0.3
549.21069	0.6
597.22986	100.0
598.23267	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	597.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.7
53.03942	1.4
54.50872	1.2
55.01865	1.6
55.05493	3.9
57.03433	2.8
65.82624	1.2
67.05494	6.0
69.03420	2.1
69.07060	32.4
69.08226	8.1
71.04984	1.7
79.01844	3.6
79.05486	12.5
81.03414	3.2
81.07048	37.3
83.08590	1.4
91.05481	10.4
93.07034	16.1
95.04957	8.1
95.08598	9.4
97.06518	21.9
97.10174	2.3
99.04475	1.6
99.08080	20.3
105.03423	1.7
105.07006	16.1
107.01309	3.0
107.04958	2.5
107.08582	12.5
109.02872	5.1
109.06516	8.0
109.10155	8.5
113.09628	1.9
115.07504	1.8
117.07003	3.7
119.04926	3.6
119.08553	9.8
121.06490	9.5
121.10129	8.5
123.08056	35.6
123.08906	2.6
123.11654	3.1
125.02353	4.7
125.09617	11.0
127.03880	6.6
127.11185	10.5
128.06187	3.0
129.07031	3.2
130.07750	2.0
131.08575	10.8
133.06444	2.9
133.10107	7.4
135.08043	3.6
135.11703	2.6
137.05949	3.8
137.09567	2.0
143.03378	6.7
143.08545	9.8
143.10583	1.8
145.06442	4.0
145.10092	15.2
147.08009	5.1
147.11690	3.8
149.09581	3.6
149.13208	3.2
153.01813	100.0
153.02879	5.2
154.02129	1.5
155.08521	8.3
157.10141	6.2
158.07249	2.0
159.08026	6.1
159.11664	4.9
161.09607	8.9
161.13245	2.1
163.11154	3.4
165.06920	1.7
165.12733	6.0
167.07040	3.1
167.08510	3.3
169.10086	5.7
171.02872	7.9
171.08046	10.6
171.11693	3.5
173.09599	25.1
173.11089	1.7
173.13257	5.5
175.07521	2.1
175.11157	3.6
177.12674	2.0
179.08559	3.0
179.14180	3.1
181.04959	1.6
181.10065	6.5
182.10837	3.6
183.08070	2.2
183.11687	5.3
185.09586	5.1
185.13292	4.1
187.11171	5.0
189.09093	2.5
191.06985	2.0
191.10622	14.8
192.09331	1.9
193.08456	1.6
193.10126	1.8
195.08034	2.9
195.11667	5.9
197.09659	4.5
197.13237	7.0
198.10355	3.0
199.11166	6.8
199.14803	1.6
201.12704	3.9
205.12250	1.9
206.10924	2.0
207.11708	4.1
209.09570	3.8
209.13165	2.2
210.10388	3.7
211.11176	7.3
211.14737	1.7
213.12685	10.6
215.14278	6.2
219.11725	2.6
221.13199	3.5
222.14185	1.3
223.11172	5.3
223.14729	2.9
225.12703	18.1
227.14294	3.4
229.12175	4.5
231.11685	1.4
231.13820	5.0
232.12332	1.6
235.14732	2.9
237.12733	2.1
237.16270	6.4
239.14343	2.7
240.14841	1.6
241.15840	2.7
243.13718	1.8
247.14771	2.7
249.12744	1.8
250.13536	3.7
251.14310	2.3
253.15915	3.3
255.17348	7.2
257.15363	1.8
263.14087	2.8
263.18021	1.5
265.15878	15.1
267.17413	3.0
269.15366	1.3
275.17691	1.7
281.15451	4.9
283.16885	44.6
284.17636	6.2
285.18460	4.1
293.18912	2.4
295.20502	6.0
299.20016	1.8
301.14880	1.4
301.17838	6.3
305.18811	2.1
311.20105	8.6
313.21512	15.8
317.19043	2.8
323.19946	2.9
329.21301	2.3
333.22040	2.3
335.20084	9.0
339.19458	1.6
351.23175	2.5
353.21066	17.9
369.24268	3.1
373.24924	2.3
376.20209	1.5
391.26242	13.1
401.15701	2.5
409.27307	39.6
410.27591	1.7
427.28482	15.0
429.30109	1.6
431.16943	3.1
435.18033	1.5
445.29190	2.1
451.17346	1.8
453.19083	42.8
453.74121	1.5
454.19180	2.6
455.20386	1.5
471.20258	1.4
481.21887	4.1
483.23615	3.0
523.23212	47.4
524.23566	3.6
561.28015	3.7
579.29401	27.5
580.29559	1.8
597.22095	3.2
597.30762	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	597.3756
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
55.01847	0.2
55.05508	1.6
57.03438	0.6
57.07044	0.4
58.33649	0.3
59.22379	0.3
67.05496	3.2
69.07067	1.0
69.83014	1.0
79.05482	4.1
80.05846	0.3
81.03428	0.5
81.07045	2.9
81.94849	0.3
83.05001	0.3
83.08630	0.6
85.06549	0.3
89.11269	0.3
91.05469	3.2
93.07034	3.4
95.04974	1.1
95.08607	2.2
97.06528	0.5
97.10133	0.3
98.22717	0.3
98.92339	0.3
105.07020	2.7
107.08605	1.5
109.10132	0.5
117.07022	0.8
119.08567	1.6
121.10147	1.2
129.06935	0.4
131.08620	0.9
133.10083	1.3
135.11681	0.8
139.03741	0.4
145.10106	0.8
147.11731	1.2
149.02278	0.4
157.10132	0.6
159.11705	0.6
161.13248	0.5
171.11653	0.5
185.09735	0.3
206.96996	0.3
247.13022	4.7
253.18549	0.3
262.39859	0.3
269.17920	0.3
294.10037	0.3
299.20074	0.4
303.15610	4.0
317.20847	3.8
354.95187	0.4
373.23471	3.6
527.29907	0.5
597.37561	100.0
598.37872	7.7
616.81897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.6
67.82677	1.6
68.89912	1.4
69.03419	3.2
69.53246	5.6
79.05480	5.4
81.03417	12.7
81.07029	1.7
82.47486	1.6
85.02899	12.5
90.91440	1.5
91.05502	1.9
97.02897	2.7
98.23419	1.7
100.73080	1.8
104.17938	1.5
105.07011	4.2
107.04939	7.1
115.05465	6.1
116.06239	1.6
117.06998	11.1
119.08571	1.6
123.04434	3.7
124.05209	2.7
127.03867	1.7
137.06009	1.6
143.04974	2.5
144.05725	1.9
145.04849	2.0
145.05241	2.1
145.06462	28.1
147.08008	1.4
155.06010	5.2
156.05681	4.4
159.08046	4.7
161.05945	4.9
165.12704	1.6
167.07027	50.2
169.07567	1.8
173.05966	57.8
180.08592	2.9
184.05273	2.2
187.07489	6.3
190.06226	32.9
190.07889	2.3
191.06920	3.1
193.08562	3.4
202.06297	4.3
203.07028	7.7
205.08578	100.0
206.08923	2.5
207.06528	2.9
217.08566	44.7
219.10124	3.9
223.09694	4.0
231.07883	1.8
235.09622	28.2
247.09743	7.1
265.10669	27.6
279.10300	1.6
307.09830	1.7
315.08588	4.3
319.09439	2.9
323.12564	1.9
330.11017	5.6
331.11920	3.0
351.12271	3.5
353.85458	1.6
371.15125	2.1
383.14801	10.5
401.15836	10.2
450.03436	1.9
598.23120	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	598.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01864	1.4
55.05503	0.9
57.03421	1.2
57.07070	20.1
61.02909	1.8
67.05487	1.9
69.03424	4.6
69.07060	2.0
70.01655	1.4
71.04981	1.1
71.08609	0.9
71.45670	0.5
73.02890	0.8
73.38032	0.5
76.09602	0.5
79.05495	1.6
81.03410	2.4
81.07040	2.3
83.01417	0.6
83.04962	0.5
83.08604	1.0
85.02895	19.4
85.06534	26.5
91.05484	1.5
93.07033	2.2
95.04967	6.1
95.08607	8.5
97.02876	5.5
97.06514	1.2
98.23282	0.7
99.04436	2.2
99.08068	0.7
105.07030	0.7
107.08566	1.9
109.02864	1.9
109.06509	17.5
109.10162	4.5
111.08047	0.9
119.08587	2.8
121.10126	1.0
123.08056	5.0
123.11720	0.7
125.05996	0.5
125.09610	1.0
127.03902	3.2
133.10114	1.1
137.09610	7.7
145.04951	2.2
151.07458	0.7
153.09084	5.2
155.10660	11.9
161.13260	2.3
163.11169	0.7
163.80418	0.5
165.09128	2.0
167.10670	0.8
175.14777	1.2
179.14297	30.2
180.14626	0.5
193.15869	2.5
203.14310	0.9
221.15326	6.8
239.16394	100.0
240.16701	3.8
241.18015	0.9
257.17465	43.8
258.17828	1.1
267.83279	0.5
313.35916	0.6
383.20447	0.9
401.21643	5.1
517.64063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94387	0.8
57.07067	6.6
58.06585	2.5
59.43854	0.9
59.74433	0.9
67.05516	1.4
69.07066	1.1
69.59492	3.8
70.06586	16.2
71.08630	3.5
81.07058	1.8
82.08459	0.8
88.07615	20.0
94.97110	0.9
95.04956	1.2
95.08588	1.2
98.23216	2.4
102.09160	14.4
105.03379	14.6
105.04546	1.3
106.54615	0.9
124.93711	0.9
149.02368	9.6
149.05962	64.6
150.06340	1.1
177.09048	0.9
181.06493	1.1
192.37410	0.8
193.04945	9.2
218.03490	1.1
284.29437	47.2
285.29770	1.6
297.07559	13.3
341.10168	55.7
342.10461	1.7
396.24384	1.1
421.74405	1.0
598.37305	100.0
599.37451	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	598.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68789	4.1
55.05511	28.2
57.03423	14.3
57.07062	6.6
67.05503	94.9
69.03420	8.3
69.07059	31.7
69.75176	11.2
69.75567	13.8
71.04992	12.7
71.08626	11.9
79.05486	74.5
81.03415	21.1
81.07050	100.0
83.04977	15.1
83.08623	16.6
85.06535	8.8
91.05482	52.2
93.07041	86.6
95.04962	24.9
95.08592	46.3
97.06541	13.6
99.08096	9.2
105.07024	44.0
107.08585	40.4
109.06516	7.8
109.10149	20.7
111.08087	12.3
112.21272	5.1
117.07014	14.8
119.08577	33.9
121.06422	5.5
121.10101	27.6
123.08057	10.5
125.09636	8.3
129.06996	10.5
131.08578	22.8
133.10129	25.9
133.32423	5.5
135.08041	6.0
135.11691	15.6
142.07750	8.6
143.08588	12.0
145.10139	22.6
147.11703	16.9
149.05992	7.2
149.09641	7.8
149.13271	25.0
151.11201	15.9
157.10106	12.5
159.11681	20.0
161.13191	7.3
163.11203	7.6
163.14819	5.3
167.10677	9.2
171.11740	9.3
177.12648	6.7
193.12199	12.8
195.13795	12.2
207.85017	5.1
209.13222	7.8
211.13280	10.9
221.15288	8.3
257.84451	6.7
259.20551	6.5
269.17465	40.8
277.21588	9.2
285.16910	10.7
310.37543	5.1
315.23138	6.8
335.25739	11.4
341.10278	6.7
463.30643	51.9
487.33978	11.9
527.37250	8.1
545.38306	42.5
598.34082	27.0
599.41754	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	599.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
69.54782	1.4
69.55168	1.5
69.88127	0.6
70.41381	0.7
79.05467	1.6
85.02889	1.8
91.05949	0.6
95.04949	2.8
95.45931	0.7
97.02891	0.8
98.22717	0.8
105.04494	0.9
107.04939	100.0
108.05293	1.5
109.02845	1.2
121.02830	1.5
129.07048	0.6
131.04903	1.7
139.03897	0.6
147.04422	1.3
151.03909	1.7
153.07014	0.6
159.08121	1.0
163.03856	1.2
173.05904	1.7
175.03912	2.1
177.05486	1.6
181.05002	1.0
187.03864	1.8
187.07497	0.7
189.05476	1.4
191.03462	0.7
193.04944	2.8
201.05443	1.3
203.03418	0.7
205.04944	5.0
211.05818	0.6
213.05408	1.1
217.04909	4.6
219.06392	0.9
221.04420	1.4
223.05989	1.7
229.04951	2.8
231.06439	2.0
233.04439	0.8
235.05896	3.4
241.04852	1.7
243.06429	1.9
245.58374	0.6
247.05951	5.5
249.11263	4.5
259.06021	6.4
271.05890	3.4
273.07617	1.1
277.06989	2.0
281.99091	0.7
283.06046	2.0
285.07492	0.7
287.09103	0.8
289.06955	2.6
299.09207	1.0
301.06915	3.7
311.08990	1.3
313.06992	2.2
315.17728	0.8
317.10193	0.8
325.06955	3.3
327.08655	0.8
329.10147	3.9
341.10144	4.1
343.07904	1.0
353.10089	5.6
365.10098	4.3
377.10156	2.0
383.11316	5.5
389.10059	1.4
395.11215	9.1
407.11179	8.5
413.12180	2.1
419.10977	5.4
425.12555	3.1
431.13306	7.8
443.13333	2.0
449.12207	5.9
461.13290	2.8
467.13339	3.1
473.11758	1.0
479.13351	4.0
485.14182	2.1
491.13068	1.8
497.14407	4.8
509.14288	2.4
527.15094	2.0
545.16272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
57.03436	0.8
59.05000	0.9
65.03938	0.4
65.92197	0.4
67.05499	3.0
69.07089	0.6
71.04987	1.7
79.05500	1.9
81.03401	2.7
81.07056	1.7
83.04987	0.9
83.08640	0.8
85.02879	0.5
85.06537	0.7
91.05483	2.2
93.07047	1.4
95.04960	1.1
95.08600	1.4
97.06550	0.7
98.23451	1.2
105.07041	1.7
107.08609	1.4
109.10178	1.3
111.08086	0.8
119.08574	1.1
121.10124	1.8
123.08053	0.5
129.07016	0.6
131.08586	0.9
133.10153	0.9
147.11703	1.4
149.09662	2.0
157.10091	0.8
167.10674	0.5
175.11237	0.5
191.29080	0.4
193.12242	1.3
225.14816	0.5
233.11594	0.8
267.15948	0.7
281.13354	0.4
283.15115	15.0
284.15649	0.6
339.17749	8.8
340.18219	0.4
464.89981	0.4
532.58777	0.5
599.33997	100.0
600.34387	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	599.3552
Annotation	Avermectin A1a aglycone
Peak:m/z	Relative Intensity
50.41032	0.3
53.03932	0.4
55.05497	1.3
57.03424	1.0
57.07064	0.5
67.05502	3.8
69.03409	0.4
69.07065	1.6
79.05486	2.4
81.03416	1.4
81.07058	3.3
83.04971	0.7
83.08615	1.1
85.02902	1.1
85.06583	0.5
90.30411	0.4
91.05484	3.2
93.07044	3.6
95.04963	2.2
95.08606	2.0
97.06510	0.6
103.05490	0.5
105.07030	4.1
107.04959	0.5
107.08574	1.5
109.06523	0.5
109.10163	0.7
117.07016	0.8
119.05007	0.3
119.08575	2.7
120.14381	0.4
121.06502	0.4
121.10140	2.0
123.08047	1.0
123.11674	0.4
125.05975	0.4
128.06267	0.5
129.06973	0.8
131.08560	1.4
133.06549	0.4
133.10060	2.1
135.08035	0.5
135.11688	0.7
137.09641	0.7
143.08569	1.0
145.10120	1.6
147.08035	0.7
147.11685	1.0
149.09634	0.5
151.07565	0.5
155.08531	0.4
157.10106	1.0
159.11702	1.5
161.09583	0.4
161.13181	0.5
163.11096	0.6
165.09100	1.6
167.10591	1.9
169.10098	0.4
171.11768	0.8
173.13271	0.7
175.11186	0.6
183.11610	0.5
185.13295	0.5
187.11127	0.5
195.11800	0.4
197.13284	0.6
211.14809	0.5
221.15370	2.9
233.15421	0.8
247.16957	0.6
251.12602	0.9
261.40732	0.4
275.20081	0.4
307.15173	0.9
315.19284	9.6
371.21933	8.4
391.26410	0.5
489.17636	0.4
507.34961	0.5
558.96088	0.4
563.37683	0.5
586.36731	0.4
599.35376	100.0
600.35608	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	599.3553
Annotation	Avermectin A1a aglycone
Peak:m/z	Relative Intensity
50.18678	0.5
53.03919	0.6
55.01865	0.6
55.05506	4.5
57.03420	0.9
57.07065	1.4
59.04994	0.6
65.69070	0.5
67.05502	5.3
69.03421	1.2
69.07058	2.3
71.04992	0.7
71.42162	0.5
79.05481	5.0
81.03403	1.5
81.07040	4.8
83.04974	1.6
83.08605	3.1
84.19240	0.6
85.06519	0.7
89.06023	1.0
91.05465	5.9
93.07039	8.9
95.04967	3.2
95.08606	4.5
95.09157	0.7
97.06526	2.1
97.10152	0.8
103.61737	0.6
105.07024	6.4
107.04945	1.1
107.08589	5.7
108.30383	0.5
109.06520	1.7
109.10143	2.3
111.08097	0.6
113.09647	1.0
114.57138	0.5
115.05464	0.9
117.07002	2.1
119.08579	5.7
121.06499	1.4
121.10143	5.3
123.08072	1.4
123.11660	0.8
125.09652	1.4
128.06180	0.8
129.06992	1.7
130.07880	0.7
131.08554	3.5
133.10127	4.0
135.08025	1.8
135.11681	1.5
137.09625	0.7
139.11177	1.0
141.06944	0.9
142.07765	2.0
143.08540	3.1
145.10114	4.2
147.08060	1.2
147.11723	1.4
149.09613	1.4
151.07477	0.7
151.11177	0.7
155.08623	1.1
155.10667	0.7
156.09343	0.8
157.10159	3.4
159.08069	1.1
159.11664	2.2
161.09615	1.1
161.13211	1.0
163.11211	1.0
165.09097	1.5
167.08566	0.6
167.10661	6.0
169.10121	1.8
169.57285	0.5
170.10966	0.6
171.11717	2.3
173.09692	0.6
173.13245	1.6
175.11261	0.9
175.14801	0.9
179.08417	0.7
181.10159	1.2
181.12181	1.5
183.11685	1.3
185.13264	1.0
187.11276	0.6
187.14816	0.9
194.10803	0.7
195.11673	1.9
195.13556	0.8
197.13269	1.5
199.14796	1.4
203.14258	0.9
207.11569	0.8
209.13260	1.8
211.14763	1.1
221.13283	1.3
221.15388	4.5
223.14833	1.6
233.13326	0.7
233.15250	3.2
235.14795	1.0
249.11041	2.0
275.20187	0.8
299.20010	1.3
305.13477	1.5
313.06302	0.5
315.19217	0.7
317.20834	5.0
373.23468	6.8
464.30557	0.7
492.92294	0.6
581.39532	1.7
593.51019	0.7
599.35272	100.0
600.35626	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	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35172	7.5
57.07074	10.7
67.05495	17.0
69.03423	15.9
69.07053	12.0
73.02705	8.2
74.69175	8.2
79.05479	18.2
81.07044	25.6
83.04964	11.5
91.05490	30.7
93.07036	30.9
95.04965	18.0
95.08627	20.0
97.06525	9.7
98.23086	11.4
105.06995	45.2
107.08596	40.3
109.10177	11.3
117.07040	13.8
119.08541	53.2
121.06487	14.4
121.10151	41.4
123.08056	12.2
129.07007	14.0
131.08560	35.5
133.10114	32.0
135.07986	14.0
141.07022	11.9
142.07791	21.8
143.08540	37.2
145.10138	33.4
147.08075	17.6
147.11646	13.9
149.09688	11.0
151.07574	16.8
155.08545	14.1
156.09308	10.4
157.10097	46.1
159.08018	10.1
159.11699	23.7
161.09602	10.4
163.11232	11.9
165.09120	30.5
167.08441	10.3
167.10683	18.5
169.10124	16.9
171.11687	30.1
179.08603	13.5
179.63779	8.8
183.11682	20.3
189.12680	10.5
194.10829	10.6
195.11606	14.9
197.13324	18.2
199.14932	12.6
203.14229	10.6
207.11571	16.0
209.13278	19.7
211.27345	8.8
213.12869	10.6
221.13492	12.5
221.15337	58.4
233.15393	36.0
235.14803	9.6
239.28065	9.0
281.18878	14.5
288.39679	8.0
507.34766	90.1
599.40912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01851	0.8
55.05507	4.0
57.03399	0.6
57.07071	5.5
59.04966	2.1
65.03905	1.7
67.05502	7.4
69.03421	7.4
69.07066	3.6
71.01283	0.5
71.05000	0.6
79.05054	0.6
79.05484	8.2
81.03381	0.7
81.07053	11.8
83.04967	3.0
83.08575	1.1
85.06531	2.9
91.05472	14.2
93.07036	18.1
95.04974	6.6
95.08036	1.0
95.08598	12.6
96.97157	0.4
97.06519	2.5
103.05417	0.9
105.04465	0.5
105.07021	20.1
107.04928	1.1
107.07930	0.8
107.08588	11.8
109.06507	5.8
109.10140	4.8
111.08046	2.0
115.05415	1.7
117.07011	5.3
119.04924	0.6
119.08569	24.2
121.06500	4.5
121.10128	11.7
122.07249	0.8
123.07273	0.7
123.08064	10.3
123.11720	0.9
125.06002	2.4
128.06221	3.4
129.07011	4.2
130.07748	2.0
131.08562	8.9
133.06433	1.4
133.10114	12.1
135.08043	10.8
135.11636	3.7
137.05923	0.8
137.09604	11.4
139.07494	1.6
139.11185	0.9
141.06961	2.3
142.07764	6.6
143.08549	10.3
144.09306	1.7
145.06419	1.0
145.10107	14.3
147.08037	20.7
147.11673	2.9
148.08670	0.5
149.09604	5.0
149.13219	1.1
151.07527	8.8
153.06923	1.2
153.09044	1.3
154.07832	0.6
155.08522	5.1
156.09338	3.9
157.10109	13.6
158.10803	0.9
159.08023	3.1
159.11661	8.8
161.09618	4.7
161.13223	5.1
163.11162	5.8
165.06868	1.5
165.09100	39.6
166.07773	1.0
167.08513	2.2
167.10619	2.0
168.09309	2.1
169.10117	7.1
170.10899	3.0
171.08051	0.7
171.11664	9.3
172.08817	0.6
173.09572	4.0
173.13251	3.0
175.11180	3.2
175.14793	1.9
177.09117	2.4
177.12750	1.0
179.08496	1.6
179.10666	0.6
179.14240	0.7
180.09238	1.2
181.10123	3.3
181.12222	6.6
182.10852	2.2
183.11671	10.5
185.09549	1.7
185.13248	6.3
186.10353	0.7
187.11139	2.7
187.14815	1.6
188.11940	0.7
189.12715	2.9
191.10655	3.3
191.14291	1.3
193.10146	2.3
193.12167	0.7
194.10818	1.2
195.11673	3.7
195.13744	1.8
196.12437	2.0
197.09532	0.8
197.13237	4.5
198.10388	0.7
199.11134	2.1
199.14861	1.3
200.11977	0.6
201.12756	1.6
202.13271	0.5
203.14293	14.0
205.10242	0.9
205.12181	1.0
206.10849	1.2
207.11687	2.7
207.13779	5.9
208.12360	0.7
209.09731	0.7
209.13228	3.9
209.15182	1.1
210.13846	0.6
211.11162	1.2
211.14795	5.3
212.11824	0.5
212.15440	0.6
213.12715	2.3
214.13562	0.7
215.14262	1.3
217.10060	0.6
219.11678	1.3
220.12413	1.0
221.15341	100.0
222.15746	2.0
223.14771	1.6
225.12639	2.3
225.16354	1.7
227.14323	0.9
229.12236	0.8
229.15851	1.7
231.11642	0.6
231.13759	1.6
233.13133	1.2
233.15358	2.9
235.14821	1.7
237.12581	1.0
237.16393	1.5
239.14359	1.3
239.17789	0.8
243.13722	1.5
245.15422	0.7
246.14127	0.5
247.14757	1.1
247.16911	16.2
249.16307	0.9
251.18024	0.8
253.15886	0.9
253.19485	0.6
255.14185	0.6
260.15741	0.6
261.18607	0.8
263.18060	0.8
265.15811	0.7
267.17468	0.6
269.18994	1.0
271.16986	0.8
281.18924	1.5
286.19238	1.3
287.20056	7.5
293.18958	0.9
299.20099	4.6
301.21542	2.3
309.18414	0.7
311.20026	1.8
313.21463	1.9
325.21585	1.5
327.23090	2.0
335.20026	0.8
345.22061	0.9
364.24075	0.6
365.24728	3.7
391.26291	8.3
413.26682	1.5
419.29233	2.5
427.28400	7.2
441.29611	0.7
453.29599	1.4
507.34653	7.3
519.34515	3.3
543.34827	0.9
563.39111	0.6
581.39880	2.6
599.40906	47.5
600.40912	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	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.8
65.64228	5.0
67.05496	25.5
69.03422	16.0
69.07063	12.5
69.51016	16.8
69.51416	9.6
79.05500	17.0
81.07050	21.4
81.12832	5.0
83.04976	12.6
83.08634	6.2
86.62663	5.7
91.05486	31.6
93.07037	41.2
95.04959	20.4
95.08590	26.1
97.06503	8.5
98.10264	5.2
98.23200	17.1
105.07021	62.4
107.08588	44.0
109.06508	11.5
109.10137	11.9
117.07008	13.6
119.08571	46.8
121.06503	15.0
121.10135	47.6
123.08041	16.5
128.06233	6.0
129.06967	12.7
131.08560	28.4
133.10135	23.3
135.08073	14.8
135.11638	8.5
137.09616	14.5
142.07780	13.1
143.08524	27.8
144.09377	10.7
145.10132	36.2
147.08041	25.1
147.11713	6.4
149.09659	13.4
151.07533	13.8
155.08534	12.8
156.09326	15.0
157.10136	50.3
159.08026	14.1
159.11716	17.5
161.09560	15.4
163.11154	8.8
165.06947	6.9
165.09062	25.8
165.77267	5.5
167.08514	14.0
167.10686	17.1
169.10110	21.1
170.10886	6.2
171.11711	26.6
173.09685	11.3
173.13257	8.7
175.11154	13.5
181.10057	11.1
181.12215	7.2
182.10832	8.3
183.11642	24.2
185.13205	9.4
187.11128	6.4
189.12680	14.4
193.10075	7.0
195.11723	15.4
197.13286	18.7
203.14285	9.3
207.11769	10.3
207.13795	14.0
208.12373	5.0
209.13286	13.2
209.15276	7.8
211.14815	7.9
213.12854	5.7
215.14388	5.3
219.11514	8.0
220.12209	5.4
221.13379	10.5
221.15335	56.4
223.14775	7.0
233.13219	8.5
233.15318	40.4
235.14751	6.5
237.14645	6.9
281.19012	12.1
364.23618	7.6
449.89224	5.7
489.34027	8.6
507.34705	82.1
599.31671	14.4
599.40710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22346	0.4
52.52573	0.5
64.86554	0.4
67.74468	0.4
71.42697	0.5
85.02898	2.2
91.05449	1.1
97.02869	0.5
105.07015	0.9
107.04941	6.6
108.05277	1.7
115.05434	1.1
128.06197	2.2
129.06975	4.6
131.04837	0.6
131.08542	6.2
133.06425	1.0
133.10043	0.7
141.07031	2.2
142.07758	0.5
143.08511	1.3
144.05669	2.2
145.06508	2.2
146.07288	0.7
153.07021	0.5
157.06473	2.7
158.07156	0.5
159.08038	11.1
161.05986	0.7
161.09599	3.4
162.07565	0.6
167.07010	1.9
167.11079	0.5
169.07597	1.3
170.07281	2.2
171.07970	2.6
172.05159	1.1
173.05951	1.3
174.06717	0.9
175.07483	1.6
187.07526	9.0
187.09131	0.3
188.08206	0.5
189.05440	0.9
189.09096	3.2
190.06235	1.0
198.06682	0.6
199.07553	1.3
203.06966	2.0
204.07797	5.4
205.08502	0.9
206.09245	0.6
216.07768	1.9
218.09334	0.9
219.10121	2.2
221.11671	1.4
231.10109	2.9
240.31773	0.5
249.11185	100.0
250.11548	2.8
259.05716	0.5
267.12143	0.6
354.10461	0.7
381.17441	0.5
384.11136	0.6
408.11472	0.5
462.93851	0.5
466.08035	0.5
600.27667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.3
57.07062	9.6
59.05009	4.3
65.03928	2.0
65.80248	1.7
67.05501	18.8
67.94810	1.7
69.03410	13.9
69.07054	10.6
69.44629	6.9
71.05011	2.7
79.05482	22.8
81.03416	3.2
81.07048	33.2
83.04976	17.5
83.08616	6.5
85.06542	6.9
89.06030	4.7
91.05468	31.3
93.07033	53.5
94.07350	2.2
95.04951	15.9
95.08599	27.0
97.06500	12.2
103.05463	2.6
105.04515	2.9
105.07018	69.7
106.07838	3.9
107.04956	3.1
107.08588	41.6
107.61856	2.2
109.06506	17.8
109.10143	17.4
111.08065	4.2
113.09685	2.1
115.05443	4.8
117.06992	14.7
118.07869	2.1
119.08570	64.7
120.09351	2.5
121.06490	12.8
121.10136	40.9
122.10470	2.2
123.08063	25.3
123.11732	4.6
125.05988	4.2
125.09608	9.9
128.06169	9.2
129.07001	14.4
130.07761	6.8
131.08571	31.8
132.09355	2.7
133.06471	9.6
133.10115	31.8
135.08037	18.9
135.11705	9.2
137.09613	11.3
139.07527	5.3
139.11201	5.2
141.07014	7.7
142.07761	20.0
143.08548	34.0
144.09311	10.6
145.06517	4.5
145.10106	55.7
146.10660	2.7
147.08034	32.5
147.11668	13.9
148.08691	3.2
149.09615	16.0
151.07533	16.2
155.08524	13.6
155.10629	2.6
156.09323	14.3
157.10112	59.0
158.10851	10.2
159.08032	13.7
159.11679	31.0
160.08809	8.4
161.09590	20.5
161.13216	9.2
162.10394	2.3
163.11169	19.8
165.06958	5.3
165.09091	42.7
166.07654	2.7
166.09445	2.5
167.08582	5.6
167.10655	14.5
168.09372	5.6
168.10927	2.1
169.10143	23.5
170.10947	9.2
171.08041	4.1
171.11665	31.6
171.13036	3.0
172.12440	8.6
173.09639	9.4
173.13242	16.3
174.10323	2.7
175.11151	22.5
175.14818	5.2
177.09172	4.5
177.12747	2.9
179.08516	5.7
179.10623	4.1
180.09256	4.4
180.11476	2.6
181.08812	2.1
181.10167	14.4
181.12219	13.7
182.10898	6.2
183.11668	21.3
184.12415	5.9
185.09605	6.6
185.13245	23.6
186.10500	2.1
186.13943	3.6
187.11212	8.2
187.14844	8.4
189.12718	11.6
190.13489	12.4
191.10583	4.7
191.14261	6.2
193.10269	10.0
193.12120	11.0
194.10892	4.3
195.11705	16.8
195.13664	3.8
196.12416	6.4
197.09637	4.2
197.11700	3.1
197.13245	19.0
198.13977	2.4
199.11142	9.1
199.14822	7.3
201.12715	6.8
203.14293	27.8
205.10152	2.3
205.12164	2.1
206.10898	2.4
207.11690	14.9
207.13792	15.5
208.12433	6.4
208.14603	11.1
209.13235	14.1
209.15350	5.4
210.13924	5.5
211.11188	6.2
211.14719	14.4
212.11835	4.5
212.15527	2.8
213.12779	10.4
213.16286	3.4
214.13359	2.7
215.14302	6.2
216.15018	3.1
217.15845	2.8
218.16629	2.7
219.11665	6.4
219.13826	7.7
220.12474	5.0
221.13251	10.8
221.15309	95.9
222.15735	4.5
223.11275	4.8
223.14781	8.6
224.15482	2.4
225.12738	6.9
225.16403	7.3
227.14253	4.9
229.15947	4.2
231.11650	2.5
233.13335	4.5
233.15343	20.4
234.13954	2.6
234.16019	14.8
235.14735	7.2
237.12694	3.6
237.14708	38.6
239.14337	4.5
239.17844	2.4
241.15848	3.4
243.13832	3.2
245.13200	4.5
246.16203	2.9
247.14920	4.5
247.16930	7.5
248.13939	10.2
249.16397	5.1
250.15669	3.6
251.14316	3.3
253.15860	7.8
255.17438	19.5
258.13934	2.4
259.14694	4.9
259.17090	4.3
261.16354	7.4
263.14038	2.5
265.15823	3.4
265.19745	2.4
268.18143	3.2
269.15247	2.6
269.19025	6.7
270.19748	6.0
271.16986	4.0
273.18585	5.6
274.19318	14.4
279.17361	7.0
281.19025	7.1
283.17227	2.6
283.20395	2.7
285.18509	7.7
286.19278	18.9
287.20139	11.9
291.17459	2.1
293.18787	3.6
294.19742	8.2
295.20651	4.0
297.18591	2.6
298.19138	3.1
299.20084	17.7
303.19473	52.7
311.19904	4.8
312.20731	8.1
313.21722	17.2
317.43057	2.3
319.20413	2.4
325.21548	14.5
337.21567	8.6
347.23480	2.6
352.23923	100.0
353.24249	6.9
363.22897	2.3
365.24631	22.6
366.24988	3.4
374.26154	3.3
377.24734	7.6
378.25433	4.1
383.25812	4.5
391.25793	3.0
392.26566	2.0
419.28949	2.9
420.30505	2.4
451.29590	2.3
487.32056	4.5
502.34241	12.5
503.35156	8.0
505.32977	6.9
507.34644	13.8
508.35165	10.0
520.35510	45.1
529.38727	2.4
582.40265	4.2
583.41193	2.9
585.39380	4.6
600.41296	33.5
601.41492	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.05505	10.1
57.07074	8.0
59.04977	2.2
59.11877	1.1
65.03933	2.8
67.05499	17.2
69.03419	10.0
69.07061	7.6
69.13806	7.8
77.03922	2.0
78.04676	1.4
79.05484	21.1
79.87755	1.4
81.07052	20.5
83.04967	7.6
83.08594	4.3
85.06519	4.1
87.04456	1.8
88.59016	1.3
89.06035	7.3
91.05473	31.0
92.06289	1.6
93.07034	39.7
95.04955	17.6
95.08595	16.4
97.06513	4.7
103.05455	4.8
105.04499	3.7
105.07018	100.0
107.04924	3.5
107.08574	28.7
107.09258	2.4
109.06508	13.1
109.10134	8.0
111.08060	1.9
112.59715	1.2
115.05429	6.1
116.06250	1.5
116.40378	1.2
117.06997	13.3
119.04954	1.6
119.06004	1.2
119.08566	43.4
119.09422	2.3
120.09420	1.7
121.06493	13.2
121.09269	1.5
121.10136	22.2
122.07346	1.3
123.08060	15.8
123.11675	2.5
125.05973	3.9
125.09621	4.6
128.06219	9.2
129.07010	16.5
130.07748	5.8
131.08553	24.0
131.09460	2.2
133.06520	6.3
133.08592	2.7
133.10118	25.0
135.08026	16.3
135.11682	6.2
137.06038	1.6
137.09595	7.5
139.07504	1.4
139.11115	1.7
141.06953	8.2
142.07748	17.4
143.08553	27.1
144.09323	9.4
145.06479	4.0
145.10107	29.7
146.07245	2.0
146.10478	1.6
147.08029	18.0
147.11676	7.7
149.09598	11.9
149.13188	1.5
151.07532	10.3
153.06908	2.4
154.07790	3.5
155.08530	11.8
156.09355	11.8
157.10124	37.3
158.07269	1.4
158.10844	5.6
158.88304	1.3
159.08075	11.0
159.11674	16.8
160.08803	2.8
160.12373	1.7
161.09621	10.4
161.13257	3.8
163.11119	6.4
165.06972	4.7
165.09093	19.1
166.07753	3.0
167.08647	6.3
167.10649	5.0
168.09351	5.9
169.10109	16.5
170.10837	5.6
171.08040	1.9
171.11682	15.8
172.08780	2.2
172.12433	4.1
173.09572	8.5
173.13213	6.8
174.10179	1.7
174.14133	1.3
175.11176	15.4
177.09093	2.3
177.12663	1.5
178.07660	2.0
179.08583	8.0
179.10510	1.2
180.09291	4.2
180.11446	1.9
181.10085	11.5
181.12181	4.0
182.10840	4.4
182.25784	1.2
182.93405	1.2
183.08069	2.3
183.11644	10.8
184.12343	3.7
185.09630	4.1
185.13277	10.2
186.10435	1.4
186.13837	1.7
187.11183	6.3
187.14758	2.8
188.11804	1.5
189.12714	3.4
190.13475	4.5
191.10719	2.0
191.14333	1.5
192.09277	1.6
193.10114	8.2
193.12224	6.0
194.10918	6.5
195.11679	11.5
195.13429	2.0
196.12445	4.5
197.09578	3.2
197.13251	10.0
198.13965	2.0
199.11194	5.7
199.14784	3.3
200.11749	1.7
201.12775	3.3
203.14308	12.7
205.09991	2.8
206.10892	3.7
207.11653	7.9
207.13763	6.2
208.12428	4.5
208.14502	4.1
209.09714	1.5
209.13295	8.2
209.15085	1.8
210.14055	2.2
211.11179	3.0
211.14761	6.6
213.12698	5.6
215.14378	3.0
217.10068	2.0
217.15831	1.7
219.11638	4.6
219.13725	2.6
220.12474	2.3
221.13263	6.2
221.15308	36.8
222.13957	2.5
222.15851	1.8
223.11244	1.4
223.14819	4.6
224.15532	1.4
225.12779	4.2
225.16280	2.4
227.14255	3.0
231.11612	3.2
232.12439	2.1
233.13167	3.3
233.15347	10.5
234.13962	2.6
234.16068	5.5
235.14743	4.4
235.16779	1.5
237.12660	4.2
237.14587	12.3
239.14159	2.3
245.13419	2.7
245.15569	1.5
246.13936	1.7
247.14743	3.1
247.16891	4.4
248.13843	6.2
249.16368	3.7
253.15956	2.0
255.17436	9.7
261.16293	2.4
265.16211	1.6
265.19376	1.7
269.15524	1.5
270.19711	2.8
271.15036	11.5
273.18518	2.2
274.19312	6.1
279.17371	2.0
281.18912	3.5
285.18628	2.8
286.19180	5.5
287.19916	5.0
289.19434	2.4
295.20566	1.9
297.18549	2.6
299.20056	3.6
303.19507	19.5
311.20178	1.6
313.21454	4.6
319.20309	1.6
325.21509	5.0
337.21487	4.7
352.23929	37.4
359.23450	2.1
365.24731	7.5
375.21906	5.9
377.24850	2.1
413.27441	1.4
483.70273	1.3
487.31888	2.3
502.34213	4.0
503.35059	3.1
505.33087	2.4
507.34573	3.2
508.34940	3.2
520.35492	15.2
572.73779	1.6
583.40088	1.4
585.39337	1.8
600.41486	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	30.0
57.07097	24.3
59.14734	22.5
67.05508	29.8
67.63808	25.5
69.58846	37.9
69.59238	63.9
81.07057	51.1
83.18098	22.8
84.02414	24.8
89.05993	34.6
91.05468	57.2
93.07017	59.1
95.04951	39.1
95.08627	23.7
98.22694	29.7
100.46995	23.1
105.07010	66.1
107.08601	33.1
109.10163	35.0
119.08575	73.4
121.10133	29.2
123.98101	21.5
125.27071	25.9
131.08574	39.4
133.10210	32.7
135.08167	25.1
137.09543	26.8
145.10130	48.3
147.08028	32.8
149.09608	27.5
157.10114	52.9
159.11685	35.9
161.09674	34.2
163.11143	41.0
165.09048	58.4
169.10133	33.8
175.11263	26.9
181.12259	28.7
183.11670	36.2
221.15349	100.0
223.93744	28.3
256.46390	26.8
261.16693	22.6
290.21783	26.7
299.19702	30.4
303.40750	25.1
308.86133	25.5
333.03329	30.3
352.24069	35.3
448.50412	30.9
471.68521	24.9
520.35516	38.9
578.99341	25.4
600.41071	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
55.05507	14.6
55.18547	2.8
57.07069	19.9
59.04990	4.7
65.03918	5.1
66.75669	2.7
67.05492	28.5
69.03407	14.1
69.07066	14.6
69.14988	14.6
79.05481	34.3
81.07047	40.2
83.04979	16.5
83.08614	6.2
85.06533	12.0
89.06011	12.7
91.05471	52.7
93.07035	73.6
95.04948	26.9
95.08595	40.4
97.06510	12.3
103.05449	3.8
105.04519	4.3
105.07020	90.8
107.04942	5.2
107.08583	59.2
107.16721	3.2
109.06505	27.2
109.10163	18.9
111.08058	7.3
115.05473	8.0
116.06217	3.4
117.06985	24.9
118.07815	2.9
119.08568	81.6
120.09273	6.7
121.06511	19.4
121.10125	52.3
122.07283	3.1
123.08052	25.9
123.11740	6.1
125.05985	7.6
125.09610	6.5
128.06221	12.5
129.07025	21.6
130.07799	6.4
131.08554	44.4
133.06483	11.4
133.08592	7.4
133.10110	51.7
135.08031	30.0
135.11703	15.5
137.05957	6.4
137.09587	17.1
141.06976	9.2
142.07751	29.0
143.08549	51.1
144.09325	18.3
145.06468	6.3
145.10124	59.4
146.07210	3.9
147.08035	43.6
147.11678	15.3
148.08871	4.5
149.09630	25.4
150.10170	3.2
151.07533	23.6
151.11189	4.2
153.07019	5.0
154.07697	4.5
155.08519	23.1
156.09334	20.1
157.10104	82.6
158.07318	3.5
158.10854	14.2
159.08061	19.1
159.11670	45.0
160.08855	6.8
160.43799	3.5
161.09602	25.3
161.13281	14.0
163.11169	22.3
165.06989	8.4
165.09091	57.3
167.08508	8.0
167.10652	15.8
168.09349	7.1
169.10077	26.2
170.10893	18.5
171.08047	6.6
171.11667	38.8
172.12349	8.1
173.09599	17.3
173.13234	16.4
174.10356	6.2
175.11191	28.7
175.14778	5.1
177.09137	7.0
177.11295	3.0
177.12730	5.6
178.13167	2.8
179.08513	9.4
179.10619	8.2
180.09326	8.3
180.11554	4.3
181.08659	4.5
181.10063	18.6
181.12253	12.0
182.10849	8.6
183.11655	31.6
184.12389	6.4
185.09586	6.6
185.13206	26.9
186.13983	3.8
187.11206	8.7
187.14784	8.1
189.12743	18.3
190.13519	18.0
191.10715	5.1
191.14194	5.5
192.09210	5.2
193.10339	14.8
193.11937	14.7
194.10873	12.5
195.11664	28.6
196.12463	6.3
197.09645	5.5
197.11674	5.2
197.13220	25.5
199.11154	8.8
199.14722	9.2
200.11871	3.7
201.12706	14.5
203.14279	33.7
204.14801	3.4
205.10146	3.1
205.12242	5.3
206.10927	5.9
207.11694	18.9
207.13823	13.5
208.12410	9.7
208.14561	8.7
209.09656	3.7
209.13229	22.7
209.15230	6.8
210.14003	8.3
211.11169	8.9
211.14757	18.1
212.11937	5.1
213.12630	8.9
213.16142	3.9
214.13412	3.9
215.14253	8.7
216.15088	3.5
217.12262	6.8
219.11768	6.0
219.13770	10.1
220.12434	4.6
221.13245	18.1
221.15298	100.0
223.11241	3.2
223.14830	10.6
225.12779	10.4
225.16347	7.0
226.13583	3.8
227.14250	7.1
229.15878	3.9
231.11548	4.9
233.13188	8.0
233.15347	28.9
234.16130	13.3
235.14752	10.1
235.16847	3.5
237.12662	7.1
237.14647	35.6
237.16986	4.3
239.14085	6.8
239.17838	6.1
240.14929	4.1
241.15872	4.9
245.13147	3.7
247.14867	6.5
247.16884	13.1
248.13882	14.5
249.16324	7.0
253.15834	8.3
255.17383	24.7
259.14648	4.4
259.17081	6.7
261.16327	12.2
263.18008	3.4
265.15839	3.7
265.19641	4.0
267.17261	3.2
269.19006	7.7
270.19644	5.0
271.16879	9.1
273.18518	6.6
274.19272	13.9
279.17447	8.2
281.19110	5.1
285.18674	4.7
286.19339	18.2
287.20047	12.8
289.19318	3.8
294.19717	8.0
295.20551	4.7
297.18741	4.3
299.19986	12.8
300.20786	4.5
303.19525	51.2
309.18347	4.6
311.19922	6.3
312.20963	4.4
313.21686	14.8
319.20477	5.0
325.21548	17.1
337.21561	13.8
352.23914	96.4
365.24759	21.2
377.24768	6.9
383.25586	4.5
397.26904	3.6
409.19281	3.2
420.30170	4.3
487.31781	4.4
502.34354	9.3
503.34848	9.8
505.33340	6.7
507.34396	10.6
508.34973	4.2
520.35364	45.7
567.37677	5.3
585.39362	6.2
600.41425	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	18.9
58.07930	12.5
59.04978	13.4
67.05490	28.9
69.03419	15.3
69.07067	12.8
69.33423	57.6
71.04984	12.4
79.05496	31.5
81.07047	40.8
83.04976	24.1
83.08637	13.5
89.06033	19.7
91.05489	57.4
93.07037	74.1
95.04951	32.8
95.08591	43.6
98.22720	23.1
105.07016	100.0
107.04938	11.4
107.08603	61.6
109.06509	15.2
109.10117	16.2
110.07896	14.3
110.88972	12.4
116.68777	11.1
117.07042	25.5
118.07803	10.3
119.08569	96.9
121.06481	13.8
121.10128	44.0
123.08050	18.1
125.09581	15.8
129.06973	37.6
131.08548	38.7
133.10098	39.8
135.08081	16.1
137.09558	18.0
142.07770	23.8
143.08545	44.9
145.10086	50.9
147.08086	30.3
149.09642	16.9
155.08569	19.4
156.09320	21.8
157.10149	71.3
159.08038	17.3
159.11635	30.0
161.09654	21.7
163.11133	16.8
165.09111	29.2
169.10091	27.8
171.11638	23.8
173.13220	14.4
175.11185	27.4
179.08539	18.1
181.10054	25.2
183.11732	17.6
185.13220	20.0
185.40576	11.3
187.11139	16.5
190.13573	15.4
193.10112	14.1
195.11690	32.5
199.11165	11.9
207.11572	23.3
209.13248	27.6
221.13370	21.0
221.15283	72.0
225.77933	13.5
233.15370	21.1
234.16010	13.4
237.14708	13.7
255.17340	14.4
274.18903	11.4
287.19855	13.1
303.19522	40.6
338.50403	11.3
352.23904	50.0
417.47968	13.0
506.11203	12.6
520.35297	26.7
534.74805	16.3
600.41412	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20161	3.5
53.03929	3.8
55.05514	20.6
57.07054	11.1
61.24063	2.9
65.03930	5.2
67.05501	27.4
69.03417	10.6
69.07057	15.6
71.04982	6.6
79.05482	35.2
81.07059	36.8
83.04972	10.2
83.08609	12.3
85.06539	8.8
91.04932	6.0
91.05478	70.9
93.07039	75.1
93.42189	3.1
95.04972	28.1
95.08601	31.0
97.06535	14.8
103.05441	5.1
105.04528	5.1
105.06348	6.5
105.07023	100.0
107.04975	7.3
107.08583	57.8
109.06503	18.0
109.10132	26.6
111.08135	5.0
115.05456	9.6
116.06258	5.7
117.07023	27.0
118.48695	3.5
119.08566	83.3
121.06489	13.5
121.10116	49.7
123.08057	28.6
125.09583	8.3
128.06197	18.1
129.06999	27.8
130.07813	8.9
131.08560	51.9
133.06471	4.7
133.10101	48.6
135.08046	14.6
135.11708	15.1
137.09593	8.3
139.11229	5.7
141.06985	12.9
142.07770	34.9
143.08551	59.7
144.09334	15.3
145.06453	9.3
145.10115	71.2
146.10945	4.5
147.08040	15.3
147.11685	16.1
149.09610	10.1
151.07571	8.4
151.11159	4.9
153.06975	5.6
154.07780	7.5
155.08527	20.3
155.10660	11.7
156.09306	21.7
157.10115	71.1
158.10863	11.5
159.08073	20.1
159.11685	45.1
160.08839	7.7
161.09569	22.2
161.13231	9.8
163.11180	13.0
165.06943	10.6
165.09125	10.1
167.08571	14.0
167.10666	23.5
168.09314	6.8
169.10109	34.6
170.10930	13.6
171.07977	8.3
171.11691	43.6
172.12444	6.1
173.09622	12.1
173.13246	21.6
175.11169	14.6
175.14835	5.4
179.08548	18.5
180.09361	9.8
181.10115	21.1
181.12137	4.9
182.10898	9.1
183.11691	37.0
184.12373	5.0
185.09663	8.6
185.13245	26.0
187.11180	8.1
187.14832	7.3
189.12779	6.7
190.13535	6.3
192.09395	6.6
193.10107	20.1
193.12158	6.2
194.10899	12.2
195.11676	30.0
196.12253	6.9
197.13237	37.7
199.11200	7.5
199.14822	9.8
201.12810	8.7
201.16335	6.4
203.14322	18.2
205.10136	6.9
206.10934	9.1
207.11690	18.0
207.13702	7.2
208.12459	6.9
208.14409	3.8
209.13306	25.1
209.15096	5.1
210.13800	4.8
211.11218	5.9
211.14706	16.4
213.12717	13.6
213.16319	5.4
215.14282	9.4
217.10077	6.6
218.10857	4.4
219.11697	7.0
219.13820	5.8
220.12466	6.4
221.13226	14.5
221.15378	27.2
222.13911	4.9
223.11169	4.0
223.14784	19.1
225.12669	7.7
225.16437	9.8
226.13158	3.6
227.14183	8.4
231.11690	4.3
233.13229	8.9
233.15385	26.8
234.16031	7.2
235.14832	11.6
236.15401	5.2
237.12743	4.5
237.16432	12.2
239.14320	4.9
241.15921	4.9
246.75511	3.6
247.14769	7.9
249.16376	6.4
251.17987	6.6
255.17416	36.0
257.13229	3.8
261.16382	10.1
262.16928	5.8
263.17929	5.7
269.18951	10.4
270.19788	5.2
273.16238	5.5
275.17834	6.3
277.19199	4.9
279.17471	7.3
281.18970	10.3
285.18674	5.9
287.20020	5.5
289.19653	5.2
299.20078	6.5
303.19739	4.8
313.21680	4.5
319.20413	5.8
325.21463	3.8
352.23975	6.7
365.24551	8.2
377.24496	4.1
383.25827	9.2
508.35663	6.7
582.40350	4.3
600.41559	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.1
56.75179	6.9
57.07058	26.0
59.04997	10.4
61.67568	7.4
67.05493	24.0
69.03406	12.3
69.07047	18.0
70.09385	15.3
79.05489	22.0
81.07039	40.2
83.04956	10.0
83.61406	7.6
85.06555	10.4
89.06033	9.1
91.05468	35.2
93.07034	82.6
95.04942	17.0
95.08070	7.5
95.08583	37.0
97.06512	9.7
98.22783	11.0
105.07021	76.2
106.91957	7.2
107.08584	47.2
108.29222	8.2
109.06515	27.7
109.10128	23.8
117.06988	23.4
119.08566	89.8
121.06478	9.9
121.10135	32.3
123.08057	27.1
125.05977	26.9
129.06987	21.1
131.08585	37.7
133.10135	35.1
135.08040	27.6
135.11673	15.3
136.72214	8.5
137.09596	30.6
139.07474	9.1
142.07753	18.5
143.08583	39.6
144.09396	10.4
145.10100	76.6
147.08025	74.2
147.11665	16.1
148.08481	7.3
149.09599	27.3
151.07510	25.6
155.08585	17.5
156.09175	8.3
157.10123	63.5
158.10866	8.8
159.07974	11.8
159.11687	49.9
161.09612	28.1
161.13257	22.0
163.11143	27.8
165.09109	100.0
166.09549	9.9
169.10126	26.1
170.10866	13.9
171.11720	43.7
172.12474	8.0
173.09572	16.9
173.13242	23.0
175.11163	24.6
181.10080	17.3
181.12222	29.3
183.11647	30.4
185.13284	30.3
187.11249	10.7
187.14915	8.0
189.12756	17.5
190.13481	18.6
191.10571	18.6
193.10191	7.6
193.12206	28.8
195.11667	12.3
196.12469	8.5
197.13274	25.9
199.11128	15.3
201.12744	15.1
203.14290	44.3
207.13771	25.6
211.14915	15.4
213.12723	12.0
217.16011	8.8
219.13922	10.8
221.13333	10.7
221.15332	98.0
223.11145	10.1
223.14804	9.4
224.11995	7.7
233.15279	11.7
234.16054	24.2
239.18015	11.9
247.16943	25.7
251.17993	10.0
253.15833	11.0
274.19110	10.6
283.26050	9.8
287.19989	11.4
299.19983	9.8
311.20197	7.9
325.21606	19.7
337.21878	9.3
352.23862	17.8
425.26776	19.1
440.29214	28.9
511.28879	8.6
511.95038	8.5
520.35596	9.6
600.41125	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
57.07073	3.3
63.30363	1.6
67.05495	3.9
69.03438	2.8
69.07069	1.8
73.83259	1.3
77.03935	1.4
79.05495	4.2
81.07055	6.3
83.04951	3.7
85.03046	1.5
85.06554	2.8
89.06036	4.1
91.05467	7.2
93.07027	8.5
95.04950	2.6
95.08603	8.1
98.23494	3.4
105.07021	16.4
107.08592	8.1
109.10129	3.4
117.07010	3.2
119.08560	21.3
120.09381	1.5
121.06542	1.6
121.10129	11.2
123.08029	7.0
125.05980	4.1
129.07028	2.4
131.08586	6.2
133.08560	2.3
133.10109	7.3
134.10583	1.5
135.08041	7.4
135.11688	2.8
137.09621	4.9
142.07762	2.0
143.08568	6.4
144.09404	1.7
145.10127	10.7
147.08022	9.6
147.11671	2.5
149.09595	4.8
151.07533	4.8
155.08635	2.3
157.10110	11.8
158.10982	2.1
159.08089	3.4
159.11682	11.2
161.09631	4.4
161.13293	2.9
163.11163	7.9
165.09082	32.8
166.09502	4.7
168.09390	1.6
169.10150	3.2
171.11687	6.9
172.20993	1.7
173.09636	3.0
173.13231	4.1
175.11205	6.0
175.14885	1.5
178.09821	1.7
181.10234	3.1
181.12233	14.2
183.11691	5.2
184.12332	1.8
185.13290	4.7
186.46111	1.6
187.11246	3.7
189.12752	4.4
190.13472	6.2
191.10744	2.9
193.10339	1.4
193.12260	4.9
195.11711	4.1
195.13858	2.9
196.12347	1.6
197.13251	3.0
199.11206	3.2
201.12813	4.5
203.14294	13.2
204.14700	1.7
207.13831	4.8
208.14526	7.8
209.13248	2.8
209.15227	1.5
210.02332	1.7
211.11143	1.6
211.14783	5.6
213.12669	2.1
216.15094	2.6
219.13913	3.1
221.13373	4.0
221.15332	100.0
222.15709	18.4
225.12695	2.5
233.15340	3.1
234.16129	14.7
239.14409	1.7
241.15785	1.7
247.14650	2.4
247.16953	24.8
248.17378	5.1
259.17130	2.5
261.18491	3.0
273.18594	2.8
274.19287	10.6
278.74582	1.6
279.17249	1.5
285.18573	1.9
286.19272	4.5
287.20059	9.4
288.20364	2.2
299.20065	11.7
300.20660	2.3
311.19803	2.9
312.20792	6.8
313.21594	6.6
325.21637	10.2
326.22256	1.8
327.22983	3.1
337.21716	2.8
339.23111	5.4
340.23898	12.6
352.23944	19.9
353.24081	1.8
365.24646	5.0
366.25378	4.6
379.26242	4.0
387.25531	2.6
388.25830	1.8
391.26456	3.4
392.26825	5.7
400.26135	1.5
402.27744	1.8
403.20453	1.7
405.27499	1.7
413.26773	2.8
419.29514	8.9
420.30310	2.8
425.26956	2.8
426.27481	2.9
427.28262	9.9
428.28766	3.5
440.29208	36.4
441.29425	2.3
442.30682	2.9
508.35593	7.8
520.35303	22.4
521.35541	2.2
583.41473	2.3
585.39044	5.0
600.41327	40.4
600.55695	3.4
601.42572	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35605	3.6
55.05511	26.0
57.07060	11.1
65.03938	4.1
67.05502	31.5
69.03416	16.5
69.07059	21.4
71.04971	5.3
71.08633	4.6
73.69711	4.1
79.05486	32.9
81.07046	42.2
83.04958	17.2
83.08604	17.6
87.04426	6.0
89.06024	52.5
91.05469	46.4
93.07040	67.2
95.04955	21.1
95.08592	32.3
96.30869	4.0
97.06515	15.1
105.04482	6.0
105.07018	100.0
107.08573	63.0
109.06506	16.2
109.10168	31.8
111.08051	5.4
113.09641	7.0
115.05452	8.1
115.82148	3.9
116.06172	3.8
117.07027	20.0
119.07743	6.1
119.08570	83.4
121.06488	14.6
121.10140	46.4
121.83894	3.5
123.08049	29.5
123.11682	5.8
125.06001	3.4
125.09616	12.6
127.19357	3.9
128.06198	15.7
129.06993	25.2
130.07761	9.3
131.08551	50.8
133.06445	4.7
133.08601	31.2
133.10100	44.3
135.08018	13.2
135.11679	17.3
137.09590	10.8
139.11099	5.2
141.06932	10.5
142.07825	30.4
143.08565	41.5
144.09323	12.6
145.06479	5.5
145.10112	67.0
146.10904	4.0
147.08035	16.5
147.11700	19.2
149.09636	13.2
151.07506	6.4
153.06973	5.7
154.07735	6.3
155.08540	22.8
155.10582	8.8
156.09355	25.3
157.08844	7.2
157.10106	69.8
158.10892	12.3
159.08044	20.6
159.11693	40.0
160.08842	6.9
161.09592	20.5
161.13168	8.0
163.11124	12.6
165.07004	7.6
165.09035	5.5
166.07759	5.7
167.08514	9.9
167.10620	18.4
168.09380	7.7
169.10117	26.9
170.10854	17.1
171.11684	40.8
172.12585	4.2
173.09602	10.0
173.13258	19.9
175.11162	19.8
177.11232	12.7
179.08516	12.5
180.09288	8.7
181.10103	23.0
182.10910	13.2
183.11659	28.5
184.12422	6.2
185.09505	7.0
185.13297	22.4
186.14024	5.6
187.11177	5.5
187.14812	7.5
189.12712	13.2
192.09326	5.7
193.10240	20.1
193.11856	7.0
194.10870	12.9
195.11644	31.5
197.13210	26.5
198.13887	5.9
199.11115	6.8
199.14780	13.6
201.12624	8.0
203.14339	14.6
206.10922	9.2
207.11662	18.5
207.13623	9.1
208.12422	10.2
209.13210	26.5
210.13814	5.3
211.11218	4.9
211.14825	19.8
212.15678	4.3
213.12704	11.9
213.16422	5.0
215.14293	6.9
219.11681	8.3
219.44057	3.9
220.12485	6.7
221.13229	17.6
221.15367	20.2
222.13948	5.5
223.14760	21.4
225.12750	5.7
225.16470	7.2
227.14322	8.4
229.15825	6.3
233.13173	11.2
233.15323	22.3
235.14819	13.0
237.16388	9.1
245.13217	5.5
247.14696	9.8
253.15749	6.5
255.17380	30.0
261.16266	5.3
263.17908	10.1
265.19403	4.8
269.18851	7.9
273.18634	4.9
281.18878	5.0
287.20209	5.1
298.19138	4.5
299.20184	9.7
319.20688	4.5
367.60452	4.1
415.25186	7.9
600.41150	10.2
601.26001	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	3.1
53.03946	4.1
55.05504	18.6
55.53521	3.0
57.07074	16.5
59.04992	8.0
61.31576	3.3
62.37646	3.2
65.03915	5.2
67.05504	28.3
69.03426	16.8
69.07068	16.4
69.18977	12.7
69.19390	7.0
71.04959	3.4
79.05485	41.8
81.07051	40.7
83.04974	19.4
83.08600	8.8
85.06525	11.0
89.06020	10.9
91.05465	56.9
93.07032	71.6
95.04961	34.9
95.08089	4.3
95.08610	43.6
97.06523	10.2
105.04519	3.9
105.07014	100.0
107.07917	5.1
107.08585	55.2
109.06524	26.9
109.10147	20.7
111.08063	3.9
114.63326	3.7
115.05423	8.5
117.07003	27.4
119.08568	82.4
120.09432	3.9
121.06521	17.0
121.10131	55.5
123.08061	34.1
123.11693	7.2
125.05923	7.2
125.09574	8.5
128.06233	18.5
129.06982	23.5
130.07759	12.1
131.08548	51.1
133.06477	12.1
133.08546	5.3
133.10104	47.6
135.08041	24.7
135.11659	18.8
137.05980	3.7
137.09616	19.7
139.07510	6.0
141.06960	11.6
142.07753	28.1
143.08560	49.5
144.09338	17.2
145.06464	4.2
145.10098	76.1
147.08043	38.7
147.11678	12.6
149.09599	23.3
151.07513	24.3
151.11272	3.6
153.06938	7.4
154.07753	4.8
155.08511	22.5
156.09340	23.3
157.10114	80.1
158.10867	13.0
159.08037	17.5
159.11690	37.4
160.08821	6.8
161.09639	29.9
161.13208	9.5
163.11168	21.5
165.07028	8.3
165.09109	53.5
167.08514	11.1
167.10625	14.0
168.09286	7.5
169.10107	31.5
170.10869	13.7
171.08025	5.5
171.11667	40.5
172.12337	9.9
173.09602	10.8
173.13206	21.9
175.11168	24.9
175.14809	4.0
176.11906	8.8
177.09113	4.1
177.12715	8.1
179.08516	15.2
179.10730	3.8
180.09264	4.8
181.10103	22.1
181.12193	16.3
182.10812	9.7
183.11642	35.9
184.12320	4.9
185.09575	7.8
185.13257	22.6
187.11140	13.7
187.14836	5.2
189.12767	18.5
190.13545	11.9
193.10130	18.0
193.12161	9.1
194.10817	9.7
195.11676	29.4
196.12376	10.4
197.09595	8.5
197.11591	7.3
197.13278	26.1
198.13963	3.9
199.11183	9.7
199.14737	10.1
201.12770	9.0
203.14256	30.3
205.10118	6.9
206.10922	9.7
207.11630	21.8
207.13818	18.1
208.12552	6.8
208.14580	5.6
209.09731	4.2
209.13263	28.9
211.11169	9.0
211.14812	15.2
213.12714	14.4
215.10730	4.1
215.14328	6.2
217.12184	4.2
219.11638	10.8
220.12531	4.9
221.13231	14.6
221.15274	79.7
223.11099	5.3
223.14789	13.3
225.12720	8.4
225.16345	9.0
227.14343	7.9
233.13203	13.2
233.15372	27.2
234.16060	9.6
235.14754	7.9
237.12712	8.3
237.14546	22.7
238.16792	4.0
246.13954	5.6
247.14809	9.6
247.16997	8.3
249.16283	6.8
251.14197	6.1
253.15771	8.1
255.17393	20.8
260.15628	4.3
261.16351	11.2
263.17935	7.6
271.16873	10.3
274.19174	7.5
275.17783	5.6
279.17267	4.8
281.18967	8.2
285.18500	10.7
286.19223	11.1
287.20200	8.4
289.19547	5.3
295.20651	4.3
297.18399	8.4
299.20007	13.6
303.19470	28.4
311.20065	7.8
312.20914	5.9
313.21548	14.0
319.20273	3.5
325.21539	26.4
337.21539	9.3
352.23923	54.1
365.24738	32.5
383.26080	6.0
487.32336	4.7
502.34946	4.9
505.33072	5.5
507.34738	27.2
517.84149	4.1
520.35571	21.1
583.41302	4.6
585.39008	5.3
596.51788	3.9
600.39758	75.4
601.39105	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81140	6.4
53.03946	8.1
53.46030	5.8
55.05516	21.8
57.03410	6.1
57.07076	15.5
58.61602	5.4
67.05508	39.2
67.05846	6.3
69.03437	12.5
69.07070	20.3
71.04988	10.1
71.08649	6.2
76.14503	6.0
79.05497	42.3
79.83871	6.5
81.07055	46.9
83.04963	19.9
83.08604	17.1
85.06523	10.1
87.04471	6.3
89.06013	36.6
90.08306	5.7
91.05473	67.9
93.07034	79.5
95.04964	31.1
95.08593	53.1
97.06532	17.3
98.23479	15.2
105.07019	100.0
107.08588	63.8
109.06529	18.8
109.10136	40.9
110.46645	5.9
111.08094	10.2
112.00341	5.9
115.05463	7.4
117.07026	17.9
119.08572	81.0
121.10149	63.8
123.08029	30.6
125.09629	15.8
128.06221	14.2
129.06998	30.4
130.07747	9.8
131.08556	54.5
133.08603	25.3
133.10103	62.8
135.08023	29.6
135.11685	17.5
137.09589	11.4
141.06973	14.4
142.07803	27.7
143.08548	64.3
144.09332	11.9
145.06528	8.9
145.10097	71.7
147.08009	27.0
147.11696	24.7
149.09593	14.5
151.07533	13.4
154.07739	7.2
155.08551	24.1
155.10640	16.6
156.09332	23.6
157.10110	78.1
158.10919	14.1
159.08063	23.3
159.11662	46.6
160.08766	7.7
161.09575	15.1
161.13348	8.1
163.11237	9.1
165.06987	12.1
165.09143	18.9
167.08566	13.6
167.10681	27.0
168.09277	11.8
169.10144	33.6
170.10892	14.0
171.11693	61.3
172.12373	10.5
173.09674	12.6
173.13280	25.9
175.11205	22.3
175.14880	9.6
177.11316	11.7
179.08569	15.5
180.09378	14.4
181.10110	26.0
182.10925	12.9
183.11713	27.5
185.09616	8.1
185.13266	39.0
187.11246	10.1
187.14862	7.6
189.12752	14.2
190.13455	7.8
192.09363	8.4
193.10143	17.7
194.10805	12.6
195.11674	34.9
196.12468	7.8
197.13284	43.5
199.11203	11.4
199.14809	19.7
201.16496	8.0
203.14346	20.8
207.11702	22.4
207.13771	9.5
208.12431	13.8
209.13222	36.6
211.11093	7.2
211.14824	26.7
213.12743	17.3
213.16420	9.0
215.14281	12.9
219.11707	9.0
220.12392	8.4
221.13260	22.8
221.15437	26.8
223.14807	28.8
225.12724	7.7
227.14391	13.5
233.13289	13.3
233.15373	30.1
233.84105	6.8
235.14844	16.3
237.16362	10.6
239.17876	10.4
241.15990	8.5
245.13205	7.7
247.14833	12.2
249.16330	9.2
255.17397	44.9
259.14783	8.8
261.16565	8.1
263.17880	10.5
265.19666	8.9
266.13043	6.9
268.18396	7.6
269.18896	9.2
270.19843	7.3
273.18613	10.4
277.19415	6.9
279.23157	12.3
281.19235	6.7
285.18347	8.3
299.20163	13.9
383.25143	6.8
600.41998	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
57.07070	35.6
59.05006	1.4
67.05493	6.3
69.03416	1.9
69.07059	5.9
70.62048	2.2
71.08629	23.4
73.06536	7.9
74.47198	1.0
78.51726	1.0
79.05500	4.6
81.07059	5.8
81.95033	1.2
83.05008	2.7
83.08606	3.1
85.10172	14.9
87.04461	5.6
89.06023	100.0
91.05469	7.9
93.07033	9.7
95.04976	2.6
95.08614	4.1
97.06525	2.1
97.10186	3.8
98.91840	1.0
99.11729	2.9
105.07010	14.8
107.07044	1.6
107.08585	8.8
109.06527	3.3
109.10159	4.8
111.08147	1.2
111.11727	2.6
113.13300	1.9
115.05435	1.1
117.07006	3.0
117.09090	7.3
119.08597	10.9
121.06454	1.3
121.10104	8.8
123.08060	3.8
123.11774	1.2
125.09636	1.4
128.06203	2.2
129.06996	4.4
130.08664	1.8
131.07057	2.2
131.08565	7.3
133.08591	49.6
133.10074	5.5
135.08029	1.8
135.11684	1.9
141.06946	1.5
142.07794	4.6
143.08542	8.0
144.09265	2.5
145.10115	9.3
147.08069	2.6
147.11655	2.8
149.09659	2.0
155.08578	2.9
156.09349	3.3
157.10144	8.2
159.08067	3.2
159.11665	5.7
161.09627	2.4
163.11069	1.9
165.09111	1.5
167.08578	1.7
167.10713	2.8
168.09302	1.4
169.10100	5.3
169.19507	2.9
170.10930	2.3
171.11652	6.5
173.09587	1.3
173.13268	4.4
175.09683	1.9
175.11086	1.5
177.11201	20.6
178.07846	1.3
179.08565	2.7
180.09369	1.9
181.10088	3.3
182.10997	1.4
183.11681	3.9
185.13269	2.0
187.14886	1.6
193.10167	1.7
195.11719	4.7
196.12505	1.5
197.13286	3.7
199.14850	3.4
200.15692	1.2
207.11754	2.5
208.12471	1.3
209.13229	4.5
211.14812	2.0
212.43658	1.1
213.22189	2.7
215.14355	1.4
219.11870	1.5
221.13637	4.1
221.15532	2.0
223.11226	1.5
223.14917	1.3
225.16382	1.1
233.13280	1.6
233.15431	3.4
235.14882	1.4
237.16315	1.6
249.16409	1.3
249.78276	1.1
255.17419	2.9
257.24722	6.8
261.16388	2.1
262.61734	1.1
263.17679	1.4
265.16122	1.6
265.19476	1.1
273.18848	1.3
283.17496	1.7
301.27350	4.6
376.98383	1.1
399.88181	1.2
415.25415	3.9
539.41504	1.7
583.43695	4.5
600.40210	1.9
601.26038	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	601.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55786	0.4
55.05500	1.4
57.03434	0.9
57.07062	0.7
57.99028	0.4
62.30787	0.4
67.05499	2.3
67.71392	0.4
69.07058	1.0
69.79980	1.0
71.08625	1.1
79.05475	2.7
81.03419	1.4
81.07056	2.4
83.04985	0.6
83.08607	1.6
85.02899	1.2
86.22594	0.4
89.06017	1.1
91.05481	2.6
93.07049	2.4
95.04961	1.2
95.08612	1.6
97.06539	0.6
98.23457	0.9
105.07013	2.4
106.20418	0.4
107.04944	0.7
107.08603	1.6
109.06522	0.8
109.10131	0.8
109.38740	0.4
115.24137	0.4
117.07006	0.8
117.34415	0.4
119.08544	2.1
120.87381	0.4
121.10153	1.2
123.08076	0.7
129.06981	0.6
131.08556	1.0
133.08586	0.4
133.10143	1.6
142.07843	0.5
145.10120	0.5
147.11700	0.9
151.11121	0.5
157.10112	1.0
167.10696	0.5
193.12259	0.4
223.85355	0.4
232.24419	0.4
248.46558	0.4
251.12570	0.7
307.15247	0.8
317.20831	10.5
373.23517	5.4
601.37012	100.0
602.37366	6.2
603.52893	0.4
608.84863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58886	0.3
55.05504	1.0
57.03414	0.6
67.05493	3.1
69.07069	1.1
69.08800	2.0
79.05487	2.3
81.03423	0.6
81.07046	2.3
83.08635	0.6
85.02899	0.8
91.05459	2.6
93.07030	2.9
93.29441	0.3
95.04971	0.8
95.08602	1.5
97.06534	0.6
105.07011	2.2
107.08606	1.4
109.06480	0.6
109.10175	0.5
117.07056	0.4
119.08567	1.5
121.10136	1.0
123.08120	0.4
131.08585	1.0
133.10118	1.5
135.11700	0.7
142.07724	0.4
143.08508	0.4
145.10107	0.9
147.11699	0.7
149.13254	0.4
157.10065	0.4
159.11690	0.5
165.08760	0.4
221.15352	0.3
251.12517	3.6
307.15173	2.4
312.50891	0.4
317.20822	3.2
333.24539	0.3
373.23419	4.9
465.24512	0.4
531.29150	0.6
601.37018	100.0
602.37347	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	601.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.05505	12.8
57.07070	14.0
59.04993	4.6
65.03929	2.8
67.05511	19.7
69.03421	11.2
69.07064	7.5
69.24330	12.1
79.05499	26.8
81.03438	3.5
81.07052	31.3
83.04959	8.5
83.08590	4.2
85.06524	7.9
91.05473	44.1
93.07040	62.3
95.04961	16.7
95.08607	35.2
97.06509	5.4
98.22671	5.5
103.05444	3.3
105.06340	5.2
105.07020	67.5
106.07320	4.2
107.04924	3.8
107.08589	30.1
109.06519	16.9
109.10140	12.7
111.08082	2.8
115.05446	2.8
117.07027	14.7
119.08574	67.3
120.08955	4.8
121.06469	8.0
121.10152	30.1
123.08068	30.0
123.11724	3.2
125.05978	7.9
128.06204	7.3
129.07004	8.0
130.07761	6.9
131.08554	28.2
133.10114	31.8
135.08054	19.6
135.11673	9.7
137.05991	3.3
137.09587	24.2
141.06956	6.5
142.07764	11.8
143.08563	25.4
144.09273	7.5
145.10124	41.2
146.10423	3.5
147.08028	44.4
147.11682	13.1
148.08440	2.8
149.09558	7.9
151.07523	23.9
155.08531	11.2
156.09319	12.6
157.10126	37.0
158.10808	2.8
159.08040	6.1
159.11690	24.9
161.09613	9.3
161.13232	10.3
163.11215	13.9
165.07028	3.4
165.09108	72.7
166.09399	5.5
167.08549	6.3
168.09296	3.6
169.10098	14.1
170.10889	4.3
171.11729	18.6
173.09665	6.2
173.13261	9.6
175.11153	7.9
175.14755	6.7
176.11491	2.8
179.08510	4.3
181.10100	9.4
181.12210	9.8
182.10864	7.7
182.12340	3.1
183.11713	16.6
185.09634	3.4
185.13252	11.5
187.14796	7.1
189.12753	6.8
193.10077	6.9
193.11952	2.6
194.10770	3.2
195.11690	10.3
196.12379	5.6
197.13261	12.1
199.11082	2.8
199.14719	2.8
201.12804	3.9
202.13365	3.1
203.14328	22.6
206.10933	3.0
207.11720	7.4
207.13763	8.9
208.12572	3.6
209.13214	11.6
210.13750	3.3
211.14845	5.9
217.15764	2.9
219.13875	2.8
221.13376	3.9
221.15340	100.0
222.15712	7.5
223.14876	5.1
227.14191	3.0
233.13376	3.2
234.16122	3.3
237.16235	4.2
247.16907	6.4
285.18787	3.5
287.19965	6.4
299.20193	3.3
300.20737	5.2
301.21567	3.4
313.21735	3.8
325.21490	3.6
353.24017	3.8
367.26285	6.1
441.29501	6.3
491.35031	11.0
521.36279	5.4
528.99628	3.1
583.41083	9.3
601.42230	31.0
602.43390	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.8
55.05516	23.9
56.28037	4.0
57.07074	30.3
67.05502	35.0
69.03426	15.4
69.07069	22.8
71.08624	19.1
72.08986	4.0
79.05186	3.3
79.05500	34.9
79.79388	4.0
81.07054	45.5
83.04972	17.5
83.08591	8.7
85.06536	9.4
85.10175	10.7
87.04467	7.6
89.06023	60.3
90.06385	11.1
91.05469	55.0
93.07045	67.3
95.04977	28.0
95.08607	47.2
97.06538	16.0
97.10143	5.2
105.07021	100.0
106.07322	6.0
107.04948	8.0
107.08601	68.7
107.86716	4.2
109.06510	17.4
109.10155	29.1
111.08086	8.6
111.11716	4.3
115.05427	5.6
117.07024	22.3
117.09138	4.3
119.08575	96.4
120.08843	6.1
121.06508	10.2
121.10133	72.4
122.10387	4.6
123.08083	16.3
123.11720	8.2
124.08393	5.1
125.09612	7.8
128.06206	9.5
129.06989	14.5
130.07771	7.4
131.08559	45.6
132.08882	6.0
133.06512	5.0
133.08569	30.1
133.10109	44.6
134.08989	6.3
135.08046	21.2
135.11705	16.1
137.09593	11.3
141.06987	6.1
142.07764	21.3
143.08583	39.3
144.09167	5.0
145.10117	68.6
147.08080	11.0
147.11693	25.6
149.09619	19.1
151.07594	6.4
155.08533	17.2
156.09314	20.2
157.10110	53.8
158.10699	6.5
159.08044	19.6
159.11679	34.3
160.12186	5.7
161.09657	12.6
161.13211	12.3
163.11192	8.4
165.06981	7.1
165.09148	11.5
167.08597	10.5
167.10683	36.9
168.09300	9.7
169.10135	19.9
170.10672	7.9
171.11658	31.5
172.12103	7.4
173.09573	6.2
173.13307	21.7
174.13612	4.5
175.11105	6.7
175.14827	12.1
177.11174	10.1
179.08531	6.5
181.10130	16.8
181.12253	6.1
182.10818	12.0
183.11676	22.8
184.12128	8.0
185.09666	5.4
185.13216	20.1
187.11183	7.1
187.14787	10.4
189.12733	11.1
193.10129	10.0
194.10826	10.3
195.11710	20.4
196.12325	8.6
197.13312	26.8
199.11226	5.2
199.14760	13.0
201.12695	7.0
203.14287	7.1
205.10019	4.5
206.10826	8.0
207.11710	13.8
208.12163	8.5
209.13345	20.1
211.14764	11.9
212.15123	4.5
213.16391	4.7
215.14389	4.7
217.15805	4.7
219.11676	5.7
221.13252	13.7
221.15349	20.1
223.14812	14.0
225.16338	5.8
227.14279	5.1
233.13271	8.2
233.15392	29.4
234.15952	3.8
235.14815	8.7
237.16396	5.0
239.17877	4.7
241.15826	4.4
247.14644	6.3
249.16269	4.5
251.17999	4.3
255.17349	9.0
261.16302	7.5
266.20313	4.9
267.17337	5.9
269.19034	6.9
273.18607	6.7
275.17786	5.0
277.19540	5.9
311.20288	7.6
312.20389	6.3
360.24445	4.9
491.34348	4.9
583.41760	5.1
601.26318	7.2
601.35516	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	602.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15417	17.6
62.39555	20.4
70.11485	52.3
92.27007	25.2
98.22915	29.5
109.12254	22.9
131.45277	20.1
137.05965	40.9
153.01793	30.6
153.05466	100.0
219.47827	21.7
247.09592	28.5
325.10590	62.9
390.40137	24.2
503.41336	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	602.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19419	22.5
60.47044	25.0
62.88731	26.8
73.78700	25.4
91.05418	25.6
105.07016	38.5
111.04419	38.9
122.42764	26.9
125.05977	39.8
137.05978	38.5
148.33237	29.3
151.03876	33.3
153.01884	36.9
153.05431	100.0
183.32193	28.8
188.44016	26.0
297.11038	44.2
325.10751	40.9
339.12128	37.6
357.13278	63.3
602.27557	33.5
603.35968	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01882	8.2
55.05493	3.9
57.03227	1.2
57.03436	13.9
59.04994	2.5
61.02930	12.1
67.05503	1.6
69.03069	2.3
69.03425	31.7
69.06712	2.0
69.07061	19.9
71.04983	2.4
73.02911	25.2
75.05555	1.3
79.05488	1.8
79.08880	1.4
81.03412	8.4
81.07045	2.1
83.04954	1.5
85.02898	100.0
87.04457	5.0
91.03930	5.6
91.05460	3.0
93.06994	1.9
95.04980	2.0
95.08607	2.2
95.48942	1.2
97.02888	53.9
97.06529	1.7
99.04433	5.1
105.07016	1.9
107.08579	3.1
109.02879	10.8
111.11720	10.3
115.03918	19.0
117.77691	1.2
121.10139	1.8
127.03895	24.4
133.04956	26.4
133.10136	1.9
137.05962	6.1
145.04948	41.9
153.01820	14.3
163.06033	17.1
193.04961	1.8
199.05876	2.5
223.06049	4.7
241.07050	5.8
243.15771	2.1
259.08029	7.4
277.09119	1.6
287.05579	3.9
288.05756	2.5
295.10236	6.1
602.28217	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	602.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01862	7.4
55.05498	4.4
57.03434	14.6
59.05000	1.7
61.02920	12.9
67.05487	1.5
69.03062	1.9
69.03423	31.9
69.07063	28.5
70.55408	2.3
71.01353	1.4
71.04971	2.7
72.87233	1.0
73.02909	27.9
73.03292	2.1
74.26025	1.0
78.15495	1.2
81.03409	7.6
81.07048	2.5
85.02896	100.0
87.04448	4.4
91.03948	4.5
97.02885	54.5
99.04456	4.7
102.72164	1.1
103.03935	2.5
105.07014	1.7
107.08533	1.8
107.69454	1.4
109.02876	7.7
109.10130	1.6
111.11703	19.6
115.03915	20.1
119.08621	1.4
127.03902	29.4
133.04956	35.8
133.05934	2.5
145.04942	46.6
145.06079	2.3
153.01785	9.0
163.06007	25.2
187.05986	1.3
193.04903	3.0
199.06009	1.4
217.07077	1.9
223.05974	6.4
224.05524	1.4
225.14815	2.0
241.07043	7.4
243.15959	2.9
259.08093	12.7
277.09125	3.2
295.10266	7.8
338.74133	1.1
368.50998	1.2
406.64102	1.2
602.27869	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	602.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
54.59446	1.1
55.01859	1.9
55.05497	4.3
57.03423	6.1
67.05500	4.1
69.03416	9.3
69.43441	5.4
71.04961	1.5
75.04491	7.0
79.05479	22.5
81.03416	9.5
81.07056	6.1
83.04961	1.5
85.02892	7.3
91.05473	17.5
93.07037	97.4
95.04960	8.0
95.08602	3.0
97.02863	6.4
98.22718	1.6
98.23263	2.5
99.04407	1.5
100.11253	5.8
105.04521	1.8
105.07025	13.9
107.04956	2.4
107.08582	17.3
109.02858	4.1
109.10128	3.0
111.04420	1.6
111.08062	5.1
115.05394	2.0
117.06952	1.3
119.08562	8.0
121.06477	2.8
121.10134	100.0
123.04420	1.3
123.08044	1.5
125.05964	1.6
127.03890	4.9
131.08527	6.1
133.06476	24.2
137.05952	33.4
137.06999	1.7
139.11131	3.5
141.78203	1.3
145.04926	1.9
149.09607	28.9
151.07507	12.4
153.01807	2.4
161.09555	1.3
163.07578	2.3
165.09116	16.7
167.07028	2.0
167.10648	23.9
175.07524	4.0
175.11157	1.5
177.09087	3.3
182.15355	2.7
183.10150	15.0
189.09009	1.8
195.10287	1.5
203.10625	1.5
209.16452	1.2
210.14816	2.9
221.11607	2.5
223.13297	3.4
239.12717	2.3
257.13812	36.1
275.12805	1.9
281.13742	1.3
293.13913	5.6
311.11417	1.8
311.14844	23.8
313.17841	1.2
331.19110	1.6
377.22968	1.8
387.21564	6.6
405.22638	6.5
602.22522	1.9
602.42444	38.5
603.42126	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42976	0.7
74.96323	0.7
103.03145	0.6
122.09653	0.9
128.50601	0.8
161.01549	0.7
293.74725	0.8
396.87741	0.8
406.10168	21.7
407.10883	1.4
603.18274	100.0
604.18799	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	603.1831
Annotation	Dahuribirin F
Peak:m/z	Relative Intensity
68.77999	0.5
69.41837	2.4
90.50553	0.5
91.05488	0.5
104.64161	0.5
112.32438	0.5
122.09674	1.4
156.48354	0.5
219.06192	0.7
257.84027	0.5
261.08640	0.6
390.18130	1.4
391.07986	1.8
392.19611	1.3
400.18924	0.8
406.10181	23.6
407.10895	1.5
415.25983	0.6
418.17737	0.8
419.10858	0.7
447.12967	0.7
464.17700	0.7
555.16425	1.1
575.28729	0.9
603.18329	100.0
604.18774	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	603.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.5
64.33880	1.2
64.64568	1.1
65.86609	1.5
67.05499	3.3
67.22356	1.3
69.03421	2.1
69.14544	7.7
76.68616	1.3
79.05481	4.5
81.03397	4.4
81.07046	4.5
90.83131	1.3
91.05468	5.2
93.07026	3.2
94.06568	2.4
95.04967	4.2
95.08571	3.1
105.07009	3.2
106.06548	4.0
107.07330	16.1
109.02880	2.6
119.08561	2.0
120.08122	3.7
122.09651	100.0
132.08076	2.4
132.49814	1.3
133.10158	2.5
135.06754	1.6
136.07596	3.8
145.06534	1.8
148.11209	7.1
150.07906	2.6
150.09122	49.7
161.37648	1.4
166.08707	1.7
170.09758	1.7
172.07576	2.6
174.09151	4.6
175.08626	2.0
176.09415	1.5
176.10693	9.4
186.09203	1.4
188.07027	2.0
188.10707	1.7
189.05386	1.9
190.08527	2.3
198.09259	2.0
200.09331	1.9
202.08691	2.7
203.11800	3.3
204.10173	13.1
209.34819	1.6
213.10165	3.3
214.08662	2.4
218.08118	1.8
224.10846	1.5
225.10190	4.9
226.08699	1.7
226.12383	2.4
227.11908	1.7
239.11826	4.3
240.10097	1.8
252.10202	1.9
253.09735	3.1
259.10770	24.7
260.09125	10.5
261.09894	2.5
261.12384	1.6
267.11267	3.8
273.14981	1.9
282.07523	1.6
285.09906	5.0
285.12607	1.7
286.10779	3.3
295.10709	4.4
301.14136	5.7
312.10989	7.2
313.11938	39.4
314.09921	4.0
317.16428	3.6
323.02826	1.4
325.11765	3.7
326.10092	3.1
329.16464	1.6
329.20096	4.3
331.17990	2.5
343.18005	2.1
345.19562	2.6
347.13663	1.7
357.19580	2.1
359.17484	2.4
371.17480	1.9
373.18964	7.4
375.17166	3.2
382.17487	4.2
389.18488	4.9
390.19238	2.4
391.20184	12.9
401.18542	2.2
418.18484	5.2
419.19467	7.7
430.17374	7.7
431.16150	4.0
433.89194	1.3
434.20966	12.3
435.20584	1.8
436.18600	19.5
445.19601	2.6
446.20535	1.8
447.19189	1.6
448.18884	2.9
451.99573	1.5
462.20206	45.3
463.21060	65.6
464.21423	7.8
509.28851	2.0
557.27399	7.7
558.26086	2.2
567.25800	6.0
573.27502	1.8
575.28619	7.3
585.26910	30.7
586.26605	4.6
603.31201	8.5
621.33246	2.1
623.99689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39167	0.8
53.71140	0.9
55.05498	2.4
57.03436	1.4
67.05492	3.3
69.03446	1.0
71.42198	0.9
79.05494	5.5
80.05019	1.0
81.03407	4.2
81.07048	3.5
83.04968	1.7
83.08611	1.3
85.02890	1.5
91.05486	4.4
93.07035	3.7
94.06562	3.3
95.04961	3.4
95.08565	1.6
97.10131	0.8
103.05464	1.0
105.07034	4.2
106.06544	4.9
107.04929	1.2
107.07330	17.2
107.08575	2.4
109.02848	2.0
109.06508	1.2
109.10152	1.0
111.04482	1.0
111.08100	1.0
117.06979	1.1
119.08547	1.3
120.08121	1.9
121.08903	1.2
121.10163	2.1
122.09654	100.0
123.08052	1.0
123.10030	1.4
124.07583	3.2
131.08543	2.2
132.08029	1.2
134.09610	0.9
135.06772	3.0
136.07553	3.5
143.08540	0.8
146.09627	1.1
147.11633	1.3
148.11200	3.8
150.09129	66.2
161.06000	1.7
164.07059	2.7
166.08676	1.8
172.07617	2.8
173.05931	1.3
174.06783	0.9
174.09096	3.0
175.08733	1.7
176.10742	6.7
186.09180	1.3
189.05473	2.4
189.10283	1.4
190.08598	1.3
193.12199	1.1
197.10756	1.1
199.08650	1.3
200.07016	1.0
200.09457	1.6
200.50107	0.9
203.11792	3.3
204.10175	12.5
204.12274	1.4
212.10716	1.2
213.10234	2.9
214.08609	1.9
216.10135	0.9
224.10793	1.4
225.10205	8.3
226.12506	1.0
227.11618	1.8
239.11781	4.5
241.09674	1.1
243.11292	1.1
252.10289	1.8
253.09706	3.5
255.11299	1.0
257.12790	0.9
259.10751	11.0
260.09103	5.9
267.11206	3.0
268.12006	2.4
273.14673	1.5
285.09756	1.8
285.12350	3.2
286.07120	1.4
289.16840	1.0
295.10730	7.0
297.12027	1.3
301.14322	4.8
313.11826	57.1
314.13104	4.7
315.14944	1.5
317.16403	2.8
325.11786	3.3
326.10300	1.7
327.18723	1.4
329.12546	1.1
329.16537	1.0
329.20068	2.0
331.12741	1.8
331.18088	1.4
341.17050	1.3
344.15067	1.1
345.19571	1.3
353.67209	0.9
355.44708	1.1
358.16562	1.7
359.17300	1.4
362.15369	0.8
372.18170	1.3
373.19101	8.1
375.17276	1.4
382.17630	1.8
383.16061	2.7
389.18579	2.8
390.18719	4.6
391.20236	4.5
392.19678	1.8
400.18674	1.2
403.16376	1.4
417.17859	1.5
418.18741	7.9
419.19574	10.2
431.16019	4.0
434.20654	8.0
435.21231	2.0
436.18576	20.7
436.24048	1.5
444.19058	1.1
448.18750	3.4
452.22003	8.6
462.20181	51.9
463.19739	12.1
464.21921	22.3
480.21210	6.1
557.27594	4.3
567.26685	1.1
575.28424	2.0
585.26813	13.3
586.25531	4.1
603.29517	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	603.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
53.57232	1.5
55.01868	14.0
55.05251	3.0
55.05504	35.7
57.03438	13.5
67.05500	42.4
68.86440	1.3
69.03412	10.3
69.07063	14.7
71.04975	4.7
75.09184	1.5
77.03907	1.9
79.05482	51.2
81.03410	69.4
81.06562	2.9
81.07043	49.0
82.76405	1.5
83.04969	15.3
83.08613	23.0
84.08083	1.8
85.02892	27.6
85.06540	2.0
87.04452	2.5
91.05474	60.0
93.07034	36.2
95.04956	67.1
95.08604	21.0
97.02877	6.4
97.06535	5.0
97.10164	17.9
99.04454	2.5
99.08078	2.4
103.05479	6.8
105.03416	2.9
105.04466	2.5
105.07019	35.8
107.04945	22.8
107.07365	1.5
107.08572	20.7
109.02863	13.4
109.06499	8.0
109.10123	8.1
111.04432	12.3
111.08047	8.7
113.06033	2.1
115.05427	14.0
117.06995	21.9
119.04925	9.0
119.08571	22.6
121.02834	16.3
121.06509	14.6
121.10126	13.0
122.09653	20.6
123.04443	6.8
123.08056	7.1
123.11729	2.7
125.02357	2.6
125.06023	1.5
125.09619	13.6
127.03910	2.7
128.06204	9.3
129.06998	20.2
131.04883	15.2
131.08563	17.2
133.06477	16.3
133.10153	11.4
135.04427	3.6
135.08017	7.8
135.11702	7.7
136.07579	4.4
137.02356	4.1
137.05974	5.6
139.72426	1.6
141.06967	8.7
142.07715	3.7
143.04919	2.8
143.08559	9.0
144.05750	2.8
145.06458	21.0
145.10121	11.8
147.04419	10.4
147.08041	10.9
147.11693	10.4
148.05063	1.6
149.05972	5.5
149.09581	9.4
150.09113	2.1
151.11153	2.0
152.06229	2.5
153.01848	3.5
153.06989	3.6
153.09093	2.4
153.12759	1.9
155.06036	2.5
155.08498	8.4
157.06517	8.6
157.10107	10.8
159.04439	2.8
159.08040	11.3
159.11693	4.0
160.05220	8.4
161.05968	24.7
161.09599	9.4
161.13368	2.2
163.03929	2.2
163.07573	2.2
163.11137	11.4
165.06998	2.1
165.12737	2.7
167.08580	5.7
169.06500	5.9
169.10168	5.3
171.04433	1.7
171.08057	10.4
171.11693	2.0
173.05965	42.5
173.09659	5.7
174.06729	7.5
175.03923	4.5
175.07523	6.5
175.11176	7.4
177.05521	2.9
179.08487	1.7
181.06519	4.0
181.10161	2.9
181.12285	4.4
183.08090	6.4
183.11703	2.2
183.29639	1.6
185.06017	6.5
185.09619	4.0
185.13206	2.1
186.06805	4.8
187.07515	21.3
187.11237	3.2
189.05434	28.2
189.09108	4.4
189.11200	6.9
190.06145	4.5
191.06972	2.0
191.08597	1.7
191.10678	5.1
193.10381	3.2
193.12175	19.0
195.08098	3.3
195.11705	4.4
197.05963	2.5
197.09645	4.9
199.07532	5.0
199.11206	2.3
200.08331	3.9
201.05612	2.8
201.09138	5.6
203.07071	4.4
203.10747	3.7
205.10298	1.7
205.12279	2.3
207.08081	2.3
209.13309	2.2
211.07512	4.2
211.11304	3.4
211.13214	20.2
211.14989	1.6
213.05453	2.0
213.09143	3.6
213.12868	3.0
215.10721	2.2
223.11194	1.8
227.12553	7.1
235.13242	2.1
237.12735	4.8
243.13878	4.8
245.15483	2.3
255.13728	13.3
257.15488	3.9
259.13205	1.9
260.09689	1.6
265.12125	3.8
267.15781	7.2
271.10818	2.0
271.13452	5.4
273.14798	31.1
283.13144	16.4
285.14728	7.6
285.17441	11.1
289.14255	7.9
291.16092	2.3
295.17044	2.6
299.16336	2.8
301.14288	82.6
302.14825	2.4
303.15781	8.2
313.17947	2.5
315.16086	3.8
319.15396	11.1
323.16522	6.6
325.14316	2.7
331.15317	2.0
341.17441	9.7
343.15408	11.5
345.16855	3.1
357.17032	4.2
359.18646	2.8
361.16669	2.8
375.17963	19.5
393.19122	5.9
399.18231	2.3
417.18948	2.3
454.19717	1.6
457.23978	2.2
465.27011	2.9
469.25644	2.2
475.25095	4.6
493.25800	8.8
511.27042	8.7
525.28717	2.2
539.30103	3.8
543.29401	23.5
549.28540	3.6
555.29828	4.1
557.29810	1.9
567.29468	21.3
573.30603	19.1
585.30505	100.0
586.30933	7.1
603.31567	60.1
604.31989	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	603.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03941	7.0
54.99141	1.5
55.01868	16.6
55.05252	2.8
55.05508	41.5
57.03435	18.5
58.77369	1.2
59.04995	2.3
67.05500	56.1
67.05865	2.8
68.49577	1.3
68.99798	2.0
69.03426	10.8
69.07066	15.9
69.40337	7.1
71.01368	2.3
71.04989	10.0
77.03905	1.8
79.05489	59.8
81.03413	85.4
81.07053	58.9
83.04980	20.7
83.08617	28.3
85.02900	29.6
85.06559	2.4
89.85016	1.3
91.05476	65.5
91.06056	3.3
93.03413	2.2
93.06450	1.9
93.07040	40.4
95.01322	2.2
95.04961	75.3
95.08602	21.9
96.26533	1.4
97.02900	9.2
97.06527	7.9
97.10155	17.8
99.04475	4.5
99.08109	1.9
103.05476	11.5
104.06297	1.7
105.03398	2.5
105.04527	4.3
105.07026	50.1
107.04954	26.8
107.08584	23.9
109.02872	21.7
109.06501	10.1
109.10178	8.7
111.04430	14.8
111.08062	9.9
113.06005	2.5
115.05445	12.0
116.06237	2.1
117.07005	22.1
119.04937	10.2
119.08575	29.5
121.02880	9.6
121.06492	19.9
121.10157	16.4
122.09664	7.1
123.04426	6.3
123.08067	5.6
123.11720	3.7
125.02326	2.3
125.06003	2.7
125.09613	12.1
127.03930	5.4
128.06226	6.8
129.06995	24.2
131.04924	20.9
131.08556	24.1
133.06482	22.4
133.10110	14.2
135.04399	5.2
135.08049	9.3
135.11691	8.0
137.02347	8.7
137.05984	4.9
137.09642	4.5
139.03879	2.3
141.06975	9.4
142.07837	4.6
143.04935	1.5
143.08531	10.4
143.10693	4.2
144.05717	3.8
145.06482	28.8
145.10109	15.5
147.04388	14.7
147.08035	11.5
147.11667	17.0
149.05963	9.2
149.09605	11.1
151.03911	2.5
153.06973	3.3
153.09094	3.4
153.12755	4.2
155.08553	9.3
157.06480	9.4
157.10115	20.0
158.07294	1.9
159.04349	2.3
159.08054	11.1
159.11697	3.4
160.05177	7.0
161.05963	27.2
161.09610	8.0
163.07480	2.7
163.11169	17.2
165.05530	1.8
165.06973	1.7
165.12747	4.1
167.08586	5.4
169.06491	3.8
169.10117	6.4
171.04382	3.2
171.08049	10.3
171.11673	3.5
173.05951	31.1
173.07417	1.7
173.09483	7.3
174.06747	9.0
175.03918	4.4
175.07480	8.3
175.11166	14.2
177.05518	2.9
177.12741	1.9
179.08615	3.4
181.06544	4.0
181.10159	3.4
181.12285	5.6
183.08058	5.1
183.11717	3.7
184.08752	2.0
185.05989	5.0
185.09598	6.4
185.13277	2.6
186.06667	2.8
187.07539	18.9
187.11201	3.9
189.05441	27.6
189.09302	2.5
189.11250	7.6
189.12776	1.9
191.07039	3.1
191.10667	6.0
193.10423	2.2
193.12219	40.7
193.13959	2.4
195.08087	5.1
195.11755	3.3
197.09634	4.9
199.07565	7.7
199.11214	2.4
199.14941	1.6
200.08325	3.4
201.05594	2.2
201.09125	4.5
201.12657	2.4
203.07092	3.7
203.10620	2.2
203.14256	1.5
205.10358	2.7
205.12296	4.9
209.09705	2.4
209.13289	2.0
211.07599	3.2
211.11357	2.5
211.13260	42.4
213.09126	2.8
213.12796	3.8
219.11745	2.0
221.09691	1.9
223.07452	1.8
225.12685	1.6
227.10750	2.3
227.12431	6.9
227.14600	2.7
229.12370	1.9
231.13773	1.9
233.15472	2.0
235.10904	3.0
237.12703	3.6
239.10594	1.9
241.12289	4.2
243.13882	3.5
245.15448	2.4
247.13361	2.3
247.45171	1.5
249.14771	1.8
255.13860	11.4
257.15417	7.9
259.13364	3.6
261.08847	3.4
261.14978	2.5
262.09103	1.5
265.12173	2.9
267.15897	11.0
269.15506	1.9
271.13364	4.2
273.14832	34.3
281.15216	1.3
283.13211	19.3
283.15979	2.2
285.14725	11.7
285.17502	17.5
289.14349	10.7
291.15903	2.7
295.16946	1.4
295.65991	1.3
297.15039	1.3
301.14301	100.0
302.14651	1.5
303.15915	5.9
311.16461	1.8
315.15997	2.6
319.15378	17.7
323.16440	4.2
339.15900	3.0
341.17526	4.0
345.16989	2.4
357.16992	5.7
359.18524	5.8
367.22647	1.6
373.15823	1.8
375.17981	24.4
385.23630	2.4
393.19177	8.8
400.18677	2.0
403.25562	1.4
420.19144	4.2
429.24142	1.7
447.25583	2.5
459.27652	4.6
465.26462	2.5
475.25024	3.7
477.28342	2.8
483.27466	2.2
493.25845	8.9
511.26880	6.7
525.28595	1.6
529.28394	3.7
539.30249	3.3
543.29370	2.5
555.29163	3.3
567.29346	12.7
573.30554	27.1
575.28546	3.0
585.30554	79.0
586.30939	3.7
603.31458	79.3
604.31531	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76455	1.0
60.64368	0.9
63.00444	0.9
67.05502	4.2
69.18979	6.0
75.43369	0.8
79.05495	2.5
81.07051	3.6
89.69196	0.8
91.05486	2.8
93.07041	4.0
95.04919	1.0
95.08624	3.2
98.23442	2.2
105.07034	1.9
107.08576	1.5
109.10194	1.1
117.06992	1.2
119.08575	1.6
131.08582	1.0
145.10165	1.3
148.79176	1.0
177.12735	1.5
189.21671	1.1
211.49399	1.2
245.97885	0.9
251.12630	1.8
253.14153	1.9
277.37561	1.2
309.16852	1.1
317.20956	1.6
335.21817	1.8
343.04800	1.0
373.23792	1.8
561.03381	0.9
603.38586	100.0
604.38849	4.2
615.53790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41581	0.5
55.05488	1.2
69.07061	1.0
78.14449	0.4
79.05485	2.3
81.03412	1.2
81.07045	2.7
82.70323	0.5
83.08620	1.4
85.02892	1.2
91.00504	0.6
91.05483	1.6
93.07040	1.7
95.04962	0.8
95.08593	2.6
105.07020	1.6
107.08601	1.4
109.10179	0.8
119.08561	1.4
121.10149	1.1
131.08571	0.9
133.10123	0.8
137.13245	0.5
139.80394	0.5
147.11595	0.7
153.50850	0.6
157.10135	0.6
161.76936	0.6
202.63724	0.6
251.12613	1.9
301.21371	1.0
307.14938	3.2
319.22452	4.6
375.25189	2.4
392.80225	0.5
603.38623	100.0
604.39374	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	604.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01867	0.4
55.05499	1.1
57.03434	2.6
57.07077	2.4
59.05001	0.3
61.02922	0.4
63.64061	0.2
67.05502	0.5
69.03414	1.6
69.07072	1.0
70.04073	100.0
70.22540	0.2
71.04988	14.7
75.04475	0.5
79.05489	0.6
81.03420	1.3
81.07054	0.9
83.04975	3.4
83.08646	0.4
85.02898	18.7
87.04456	0.6
91.05456	0.5
93.07059	0.4
95.04980	0.9
95.52306	0.3
97.02876	1.3
97.06485	0.2
99.04469	0.5
99.08088	9.4
99.08720	0.5
105.07041	0.7
107.08624	0.4
109.02882	2.0
109.06509	0.3
109.10139	0.5
111.04436	2.7
111.08061	0.3
117.09136	2.3
119.08579	0.5
121.10140	0.4
122.09694	0.4
123.04473	0.7
125.09589	0.3
127.03900	3.4
129.05469	6.2
133.10167	0.4
145.04988	0.4
147.06499	2.5
147.11652	0.3
153.05565	0.3
159.10211	0.4
183.10146	1.1
195.10144	2.2
198.08818	0.3
209.07164	0.3
216.09773	5.6
217.09848	0.3
225.11189	1.7
227.08319	3.6
227.12791	2.2
237.02805	0.3
243.12193	1.7
261.08774	0.4
261.13260	1.2
262.09351	0.3
301.14499	0.4
322.18762	0.2
323.67023	0.3
400.18121	0.3
458.16885	2.3
586.30542	0.4
604.31238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.199
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34518	0.3
66.87585	0.3
70.49593	0.6
88.49976	0.4
93.53910	0.4
103.38225	0.4
128.99245	0.4
174.84772	0.3
176.04430	0.4
178.66972	0.4
189.05214	0.9
190.37314	0.3
206.97583	0.4
301.03610	0.4
333.30075	0.4
375.08337	0.9
377.10010	0.6
378.10770	1.3
379.11655	0.4
390.10709	0.4
391.11487	0.6
393.09412	2.1
408.11798	6.7
409.12424	0.8
575.18713	1.4
605.19861	100.0
606.20325	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	605.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00178	0.2
52.71626	0.2
55.35627	0.2
63.23740	0.2
64.05054	0.2
69.71571	0.3
69.71950	0.3
137.22443	0.2
158.98883	0.2
175.03654	0.2
189.05228	0.4
209.28450	0.2
219.06320	0.3
289.98077	0.2
363.08243	0.2
375.08374	0.7
377.10187	0.4
378.10760	0.8
390.10767	0.7
391.11465	0.3
392.90167	0.2
393.09366	2.5
407.10931	0.2
408.11725	6.5
409.12360	1.0
421.12601	0.3
469.18903	0.2
557.17822	0.5
575.18549	1.0
590.16895	0.2
605.19788	100.0
606.20142	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	606.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85049	4.2
53.03922	4.5
55.01865	5.6
55.05501	34.0
57.03430	9.7
63.22298	3.4
67.05496	62.0
69.03442	4.6
69.07066	33.8
76.56946	4.0
79.05486	70.2
81.03415	6.0
81.07050	43.5
83.04975	13.1
83.08614	8.5
91.05471	50.7
93.07029	50.2
95.04991	21.4
95.08614	24.4
97.02934	5.3
97.06520	8.8
97.10162	13.0
105.04488	3.5
105.07014	43.2
107.04948	13.0
107.08575	20.3
109.06531	5.2
109.10206	10.3
114.81580	3.9
117.07001	12.8
118.45779	3.9
119.08570	30.2
121.06498	6.6
121.10127	10.6
123.08051	8.6
125.09642	11.1
129.06972	17.1
131.08572	10.9
133.10150	8.6
135.11694	4.9
143.08524	7.9
145.10115	14.4
147.07977	6.7
147.11674	26.3
155.08502	4.6
159.11722	5.4
161.09630	6.6
161.13185	6.5
169.12109	4.5
171.11656	18.6
189.11143	4.4
189.12762	11.5
200.97116	4.0
207.13745	21.9
223.13316	13.0
227.12939	4.7
273.18466	15.4
281.17462	52.2
281.98987	4.7
291.19528	100.0
365.23279	26.0
474.63287	4.0
540.89813	4.0
571.36139	84.1
582.99005	4.4
606.42126	6.0
607.43964	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	607.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01872	3.8
57.03423	2.3
61.02922	2.4
65.03929	1.1
66.04723	0.6
67.05470	0.6
68.99772	1.3
69.03421	8.6
69.40250	2.3
71.04980	1.3
73.02901	3.6
79.05466	0.8
81.03411	9.4
81.07046	1.3
83.01350	0.5
85.02896	21.6
87.00822	10.6
87.04477	0.6
91.03966	0.9
91.05467	2.4
94.04169	3.0
97.02888	18.0
99.04446	4.3
103.05441	2.0
105.01871	6.1
105.09191	0.5
107.04930	1.0
107.08558	0.5
109.02865	7.2
109.06501	1.7
111.04444	1.0
115.03954	4.1
115.05447	5.0
117.01837	1.6
117.07016	2.1
119.04919	0.9
122.03640	6.2
125.02318	1.2
125.05976	0.9
127.03903	12.9
128.06216	1.8
129.01807	1.2
129.06969	4.8
131.04912	3.4
131.08559	0.7
133.04987	0.7
137.05960	100.0
138.06310	2.0
141.06979	0.8
143.04903	6.4
144.05670	2.0
145.04953	6.2
145.06419	1.1
147.04407	0.7
149.05984	0.5
151.03894	1.2
151.07533	4.8
153.01775	0.7
153.05437	1.3
155.06046	0.8
157.06490	4.2
158.07219	0.6
159.02888	4.6
159.08087	1.2
160.05179	10.6
161.04451	1.8
161.05928	2.0
163.07501	5.3
165.05389	0.7
172.05219	2.8
172.06422	0.5
174.06764	2.8
175.07527	59.1
176.07846	1.3
177.05397	0.7
179.05530	0.5
179.06998	1.2
187.07523	26.7
188.07823	0.6
189.09094	7.7
190.09398	0.5
191.08528	0.6
191.10686	0.5
197.05956	0.8
199.07524	1.3
201.03957	1.4
201.09122	1.2
203.08504	1.9
205.08557	9.2
211.07542	1.7
217.08563	3.8
219.04893	0.6
219.07991	1.5
219.10147	4.2
220.08760	0.6
227.06903	1.4
231.04802	1.1
231.08054	1.8
232.08775	0.6
233.09557	0.8
235.09555	5.2
239.07034	2.0
240.07755	1.0
247.04715	0.8
247.07553	1.5
248.08258	3.1
249.09071	0.7
251.10712	0.7
255.06561	1.3
256.07413	1.2
259.07510	1.2
261.08984	1.6
263.10681	3.4
265.08621	1.2
269.08163	0.9
270.08841	4.0
271.09601	5.5
276.07803	1.8
277.08548	1.6
279.09924	2.6
283.09521	1.2
291.10095	7.7
292.10840	0.9
293.11649	1.3
296.10513	1.1
297.11221	0.6
308.10565	1.1
309.11157	1.1
311.12698	3.1
323.12735	8.4
325.14294	3.2
341.13760	9.0
342.14197	0.8
357.13528	0.6
365.13904	0.8
512.47852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05728	0.4
66.39079	0.4
71.09125	0.4
74.92758	0.4
98.22533	0.4
147.02959	0.4
148.26944	0.4
162.06134	0.4
189.05194	6.2
189.53337	0.4
201.05156	3.1
233.94269	0.4
244.07083	0.8
297.75906	0.5
381.12897	0.5
391.12122	0.6
395.10986	4.6
409.12787	1.4
410.13293	13.9
411.14209	1.8
559.19281	0.5
577.20209	1.1
592.19055	0.5
607.21399	100.0
608.21857	6.5
630.69354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98552	0.4
66.11411	0.4
68.40916	0.4
73.69241	0.4
81.84444	0.4
145.54097	0.4
155.97754	0.4
185.05742	0.4
189.05203	7.5
201.05237	3.0
229.64908	0.4
244.06998	0.6
248.71788	0.4
277.26736	0.4
354.31799	0.4
371.92691	0.4
381.13098	0.7
395.10941	5.3
409.12515	1.4
410.13315	10.8
411.14059	1.5
423.14264	0.5
475.51053	0.5
559.19672	0.6
607.21411	100.0
608.21716	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	607.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74718	0.3
68.17067	0.2
69.60244	0.9
94.05373	0.3
134.79546	0.2
175.03708	0.3
202.91039	0.3
219.06183	0.3
253.59274	0.3
343.11374	0.3
369.40390	0.3
395.10919	3.3
410.13315	10.3
411.13953	1.0
607.21368	100.0
608.21655	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	607.2144
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
69.60600	1.0
74.51949	0.2
81.36525	0.3
177.05269	0.3
322.26010	0.2
361.10358	1.9
362.18552	0.2
363.11832	0.5
365.09937	1.1
377.09796	1.8
379.11609	0.7
380.12183	1.8
381.13074	0.6
392.12289	2.1
395.11087	3.3
410.13287	7.6
411.13986	1.2
423.14105	0.3
529.17889	0.3
559.18896	0.4
567.92340	0.2
577.20728	1.3
607.21405	100.0
608.21765	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	607.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97304	0.3
51.09065	0.3
67.98212	0.3
69.53693	0.9
69.54080	0.8
76.29658	0.3
78.81027	0.3
86.59168	0.4
87.78174	0.3
100.37461	0.3
100.55532	0.3
120.59415	0.4
129.65031	0.4
176.04541	0.4
180.42142	0.4
257.43375	0.4
299.09653	0.4
395.10950	2.5
410.13345	9.1
411.14041	0.9
428.75555	0.4
607.21436	100.0
608.21698	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	607.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66344	0.1
64.73181	0.2
66.13708	0.2
66.24218	0.1
69.15707	0.4
69.16113	0.6
70.87830	0.2
81.69199	0.1
98.22820	0.6
140.01263	0.1
153.01840	0.4
157.54289	0.1
175.03723	0.3
177.05215	0.4
189.05280	0.3
202.74471	0.2
232.07098	0.6
237.78374	0.2
241.84518	0.2
361.10464	1.3
362.11075	0.3
363.12244	0.4
364.09198	0.2
364.13290	0.2
365.09985	1.1
366.10513	0.2
377.10034	1.7
379.11493	0.7
380.12238	1.7
381.13159	0.6
391.11899	0.2
392.12189	2.4
393.61819	0.1
395.10931	2.9
409.12598	0.4
410.13318	6.9
411.13937	1.1
423.14093	0.3
466.67545	0.2
559.19397	0.5
577.20612	2.0
607.21411	100.0
608.21729	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	607.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26544	1.2
69.19769	1.2
76.66177	1.2
77.84991	1.2
89.03919	10.4
95.04948	1.3
98.33881	1.2
112.21720	1.2
117.03365	28.3
134.03598	2.3
135.04395	2.3
137.05966	3.7
145.02827	60.3
147.56516	1.2
149.05960	7.8
158.06017	1.6
163.03821	4.1
177.05450	100.0
197.28824	1.3
201.05458	1.6
205.04890	1.9
219.10135	4.0
311.09116	4.4
351.08517	1.5
353.09970	2.0
445.34103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88658	0.3
61.89997	0.2
66.39285	0.2
69.50927	1.1
71.48437	0.2
77.11897	0.2
83.08600	0.3
98.22709	0.5
114.48533	0.2
146.05980	0.3
183.09222	0.4
191.07350	0.3
191.13719	0.2
192.00330	0.3
197.10693	0.3
223.12289	0.5
237.10345	0.3
251.11702	0.4
298.13345	0.3
300.14810	0.3
336.15192	0.3
338.16278	0.4
374.15408	0.8
375.16183	1.0
376.16818	0.5
387.16183	0.7
388.16754	1.3
389.17447	2.9
390.18280	1.3
391.19202	1.1
400.17920	0.3
401.17615	0.9
402.14603	0.9
402.18677	0.8
403.15146	0.6
403.19492	3.9
404.20224	2.1
405.20758	3.5
406.21338	0.3
407.22397	0.3
415.14890	0.4
415.19662	0.5
416.15659	1.3
417.16269	4.6
417.21255	1.9
418.17685	1.5
418.21701	1.2
419.22382	6.8
420.23358	1.3
430.17923	1.0
431.18372	8.5
432.18903	3.5
433.20084	4.4
435.22305	0.3
443.18701	0.6
445.20117	5.4
446.20975	9.3
447.21707	8.4
448.22665	1.3
457.20377	0.3
459.17438	0.6
459.22998	1.6
460.18344	0.7
460.23270	0.5
461.19357	1.8
462.24576	0.4
463.21027	0.8
463.25882	0.4
473.19220	0.8
473.24210	0.5
474.20349	6.6
475.21094	6.1
476.21970	0.4
477.22882	0.8
478.23502	0.8
487.21512	1.4
488.22003	0.5
489.18997	0.3
490.23328	0.8
491.19720	2.5
493.25616	0.3
501.22864	1.0
503.24280	0.3
504.21109	0.6
505.22235	0.9
506.22784	0.6
518.22632	0.3
519.24011	17.2
520.24011	1.0
529.22711	0.4
532.20660	0.4
533.21698	0.3
547.23340	12.2
548.23694	1.1
551.26501	0.4
561.24561	0.6
579.25879	5.5
580.26166	0.4
607.25403	100.0
608.25745	7.8
619.65808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.23851	0.2
60.26786	0.2
67.05507	0.3
69.03428	0.3
69.51171	1.0
81.03413	0.6
81.07035	0.3
91.05476	0.3
93.07018	1.0
93.20059	0.2
95.01077	0.3
95.08593	0.3
98.23476	0.3
105.07012	0.2
116.53378	0.2
120.58547	0.2
121.02595	1.4
121.10136	0.8
131.08546	0.3
136.04958	0.3
137.05991	0.6
138.09109	0.4
141.05241	0.8
147.07986	0.2
149.02130	0.9
153.01859	0.8
159.04236	0.3
163.07411	0.3
164.07021	1.0
169.04736	0.3
173.09662	0.3
179.03233	0.2
185.04247	1.0
189.05229	0.2
204.07643	1.2
207.09891	1.2
233.11581	0.7
243.08487	0.2
243.11072	0.3
246.73691	0.2
261.11176	0.2
265.14423	0.3
279.12106	0.7
301.11798	0.6
305.11075	0.3
323.14676	1.4
333.13098	2.7
351.14096	6.7
356.40262	0.3
367.13510	1.0
369.15240	1.1
380.19699	0.3
381.18216	0.3
409.18192	1.6
425.17661	1.1
426.20340	0.6
427.28687	0.3
444.21146	0.4
445.29483	0.3
452.18094	1.1
470.19623	0.3
589.26447	0.9
607.27216	100.0
608.27551	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	607.2905
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
66.69411	0.1
66.71008	0.1
69.74336	0.2
69.74722	0.3
136.90277	0.1
162.98050	0.1
185.07912	0.1
192.65701	0.1
202.29028	0.1
242.79620	0.1
289.43204	0.1
387.15872	0.2
389.17630	0.4
390.18506	0.1
401.17679	0.2
402.18341	0.3
403.19156	1.3
404.19995	0.2
405.20737	0.3
415.19315	0.2
416.20001	0.3
417.16345	0.3
417.21408	1.1
418.21866	0.7
419.22290	0.9
430.17245	0.2
430.22324	0.2
431.18054	2.4
431.23557	0.2
432.18784	0.7
433.23959	3.8
434.24683	0.6
439.71600	0.1
444.18433	0.1
444.23666	0.2
445.19678	3.0
446.20621	1.8
447.21606	1.8
449.23740	0.1
459.21445	1.4
460.22443	6.6
461.23257	7.4
462.23578	0.4
473.23419	1.4
474.24072	0.8
477.22595	0.3
487.25049	1.0
488.25711	0.2
489.22910	0.2
491.24731	0.2
492.25162	0.3
504.25192	0.2
505.21765	1.2
506.27130	0.1
515.24323	0.4
517.22467	0.2
518.23022	0.2
519.27136	1.1
520.24078	0.3
532.24811	0.5
533.25531	0.2
547.26953	30.8
548.27258	2.3
575.26642	0.9
578.24664	0.3
579.29657	0.8
592.26355	0.2
607.29028	100.0
608.29407	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	607.2905
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.22141	0.8
66.36478	0.7
68.56675	0.8
69.40362	2.1
69.40752	1.3
93.95769	0.9
102.75424	0.8
136.11711	1.0
141.58298	0.8
147.79121	0.7
174.90742	0.8
178.71443	0.9
222.11649	1.0
235.12444	1.0
264.08096	0.9
286.13525	1.2
387.16116	1.4
388.16757	1.8
389.17480	4.4
390.18768	1.0
392.19894	1.1
401.17630	2.8
402.18414	3.4
403.19055	11.9
404.19659	4.6
405.20761	7.2
415.14606	1.2
415.19452	2.1
416.20676	3.9
417.16672	4.7
417.21478	12.6
418.21735	8.3
419.22211	14.2
420.22943	1.4
429.21039	1.5
430.16879	4.2
430.22562	1.9
431.17978	28.0
432.18689	7.2
432.24478	1.4
433.18414	1.4
433.23947	24.5
434.24741	4.0
443.18542	1.2
444.18976	1.6
445.19812	35.3
446.20758	16.4
447.21558	12.8
459.21222	11.4
460.22409	28.2
461.23257	25.7
462.24268	1.4
472.22296	1.2
473.23749	7.1
474.24057	3.1
477.22607	1.5
487.25272	3.8
488.25345	1.1
491.25110	1.4
492.25146	1.7
497.81308	1.0
503.20673	0.9
505.21725	6.7
506.26831	1.0
515.24438	1.9
517.22601	1.0
519.24310	3.5
532.24609	1.9
547.27008	48.2
548.27405	2.8
575.26538	1.4
579.30035	1.7
607.29053	100.0
608.29266	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	607.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05247	2.1
55.05513	4.2
62.61681	1.8
67.05490	4.8
69.03426	7.8
69.07059	18.1
71.04981	4.4
73.02903	2.9
74.17627	2.2
79.05473	3.1
80.76524	1.9
81.03413	5.0
81.07047	29.1
85.02900	16.6
91.05470	8.7
93.07037	7.6
95.04974	4.4
95.08596	2.5
96.44120	2.5
97.02876	6.0
97.06514	9.5
97.10171	3.3
99.08095	16.1
103.05445	2.7
103.34826	2.4
105.07024	9.6
107.04881	2.7
107.08579	6.9
109.02862	6.7
109.06464	3.9
109.10172	4.1
113.09612	2.2
115.07572	3.6
117.07014	3.3
119.04925	4.6
119.08578	3.9
121.06502	3.5
121.10194	2.6
122.03592	2.7
123.08045	6.4
125.09591	2.9
127.03941	4.3
127.11190	8.6
129.06970	4.2
131.04921	5.8
131.08565	5.6
133.10097	4.3
135.08049	5.6
137.05977	37.1
138.06366	2.7
143.08522	4.4
145.10110	9.0
147.07970	2.3
147.11633	3.4
153.01845	14.0
153.02887	2.4
155.08586	4.8
157.84372	2.1
159.11696	2.8
161.05945	5.9
161.09575	4.5
163.07541	18.8
165.06790	2.7
167.07091	3.9
169.10144	2.8
171.08165	2.4
173.09608	8.9
175.07520	11.1
180.94199	2.3
185.09503	2.8
185.13280	2.4
187.07851	2.3
187.11194	2.6
189.09064	5.2
191.08539	2.9
191.10632	3.3
195.11690	5.8
197.13249	6.4
199.11221	4.1
202.07840	2.4
203.06895	3.2
203.08630	2.3
207.11710	2.4
209.09712	3.9
211.11122	4.1
213.12680	3.2
219.07994	5.1
223.11156	3.0
225.12714	6.6
237.12729	3.2
237.16391	3.3
239.14278	6.2
247.07431	4.4
250.13658	2.6
251.10628	3.8
255.17439	3.1
265.08496	3.2
265.15939	5.1
279.10324	4.4
283.16895	13.8
284.17795	3.2
291.10104	3.5
299.16190	2.9
301.14517	5.2
301.17963	100.0
302.18555	7.8
303.19397	2.8
311.12689	10.8
311.20117	2.5
313.21561	4.4
323.12839	3.0
329.21143	8.1
331.22580	6.5
341.13788	7.6
353.21130	5.3
359.15570	2.6
371.22076	22.7
409.05035	2.7
409.27438	15.6
420.77609	2.5
427.28381	75.9
428.28635	4.0
445.29449	33.2
463.23352	3.3
487.14166	2.3
554.15405	2.5
607.23962	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	607.3476
Annotation	Caucasicoside A
Peak:m/z	Relative Intensity
53.03949	1.9
53.43888	1.6
55.05506	3.6
57.03425	3.3
59.04993	1.8
61.02930	3.6
67.05483	4.9
69.03434	9.4
69.07064	25.1
71.04977	4.3
71.21565	2.0
73.02876	1.5
79.05484	6.9
81.03402	4.2
81.07053	27.5
83.04969	1.7
85.02898	18.7
91.03952	2.5
91.05481	5.8
93.07034	11.8
95.04946	5.0
95.08584	6.5
97.02921	7.8
97.06514	13.5
97.10154	1.7
98.06053	2.2
99.04428	2.6
99.08088	14.3
105.07023	8.0
107.08588	11.0
109.02832	1.8
109.06509	6.9
109.10152	7.9
111.08066	2.9
115.07570	6.3
117.07011	3.3
119.08572	8.5
121.02894	1.6
121.06509	4.1
121.10124	4.6
123.08054	10.3
123.11721	2.1
125.05922	2.0
125.09611	12.6
127.03916	4.4
127.11174	21.3
128.06168	2.0
129.06963	1.9
131.04950	2.7
131.08534	7.5
133.10133	4.9
135.08020	4.5
135.11653	1.6
137.05965	7.0
137.09627	2.8
138.06482	1.6
141.05524	1.7
143.08545	6.1
143.10649	4.2
145.06451	1.5
145.10132	10.6
147.07970	6.0
147.11676	2.9
149.05965	2.0
149.09622	4.4
149.13315	1.8
151.11183	1.7
153.01826	7.2
155.08589	3.5
156.09392	1.9
157.10095	4.3
159.08028	3.9
159.11696	3.9
161.05963	2.7
161.09584	6.3
165.12761	2.9
169.10141	3.3
171.08028	6.1
171.11708	4.0
173.09576	14.9
173.13284	2.2
175.11136	3.2
179.14375	2.0
181.10075	2.0
183.11728	4.4
185.09550	2.5
185.13196	3.8
187.07596	1.8
187.11180	2.9
189.09100	7.1
191.10600	8.2
195.11674	5.7
197.09560	2.9
197.13188	3.4
199.11188	3.5
199.14832	3.1
201.12595	3.0
209.11581	3.1
209.13327	3.6
210.10234	2.0
211.11111	3.1
211.14772	1.8
213.12825	3.4
215.14374	3.0
219.17424	2.1
221.13199	3.0
223.11230	3.5
223.14890	3.1
225.12723	7.2
227.14124	1.8
237.12708	3.1
237.16315	4.7
239.14268	4.6
241.15802	2.2
249.14815	3.2
253.15941	2.4
253.19450	2.7
255.17284	4.0
265.15820	6.1
267.17456	2.0
279.15842	3.5
283.16852	17.8
284.17496	2.2
293.19376	1.9
295.20566	2.4
299.16394	2.1
301.17938	70.0
302.18781	10.9
303.19461	3.2
305.19238	2.2
311.19879	2.2
313.21649	8.9
317.21613	2.1
319.19006	5.8
329.21057	6.2
331.22693	19.6
335.20096	4.3
341.21146	2.0
351.22791	2.1
353.21164	9.0
371.22232	20.7
391.26199	5.3
409.27383	22.0
427.28403	87.8
428.28619	3.8
445.29446	100.0
446.29498	3.7
463.23297	3.4
533.27252	3.1
589.33478	3.0
607.17169	2.5
607.34521	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	607.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	2.6
55.05508	16.4
56.36504	0.8
57.03431	3.9
57.07080	1.8
60.27622	1.1
60.61195	0.9
64.56396	0.7
65.03944	2.5
67.05501	28.3
69.07060	14.3
71.04997	1.7
77.95558	0.8
78.45060	0.8
79.05486	19.7
81.03409	1.7
81.07053	30.4
83.04990	3.1
83.08614	8.5
85.06522	1.8
91.05471	22.0
93.07038	25.5
93.07597	1.5
95.04964	5.2
95.08603	21.8
97.06550	3.1
97.10186	3.7
103.05460	0.8
105.07021	22.2
107.04958	1.7
107.08582	12.8
109.06514	2.6
109.10142	9.7
111.08107	2.2
114.42181	0.9
115.05471	1.8
117.07008	11.8
119.08572	17.6
121.06477	0.8
121.10152	6.5
121.28426	0.9
123.08083	2.6
123.11735	2.5
125.06040	1.0
125.09639	2.1
128.06216	4.2
129.06989	10.7
131.08565	16.0
133.10115	12.9
135.08038	1.0
135.11716	4.0
137.09576	1.0
139.11191	0.9
141.06952	6.0
142.07805	2.4
143.08557	12.4
144.09395	1.0
145.10100	11.9
147.08200	1.3
147.11693	7.1
149.09653	1.5
149.13292	2.5
153.07033	2.2
154.07820	1.1
155.08528	11.8
155.09641	1.1
156.09407	2.2
157.10098	12.6
159.11662	8.6
161.09691	1.3
161.13278	4.1
163.11253	0.9
165.07056	2.5
166.07764	2.3
167.08549	8.2
168.09343	2.4
169.10126	15.5
169.11472	1.5
171.11662	10.4
171.13031	1.0
173.13220	5.0
175.14780	1.2
178.07866	1.3
179.08574	5.5
180.09315	1.3
181.10103	10.9
182.10901	1.7
183.11678	12.6
183.13103	1.1
185.13232	7.9
187.11247	1.1
187.14879	2.6
189.16418	1.0
192.09329	1.9
193.10072	6.5
195.11696	11.5
196.12474	2.2
197.13254	10.3
198.14235	0.8
199.14810	4.6
201.16449	2.1
203.18065	0.9
205.10165	2.4
206.10851	1.2
207.11682	7.4
208.12317	1.0
209.13261	10.7
211.14804	6.3
212.28250	0.9
213.16451	1.8
215.17932	1.1
219.11729	2.1
220.12378	1.3
221.13316	6.1
222.13947	1.0
223.14755	8.2
225.16415	3.6
227.18086	2.3
233.13318	2.2
235.14812	4.5
237.16391	5.3
239.18050	3.6
247.14961	1.9
249.16481	3.0
251.17990	3.2
255.17590	1.0
257.19104	1.6
259.14874	1.2
259.20639	2.0
261.16318	1.8
263.17929	2.3
265.19608	1.9
267.21164	1.1
275.20190	4.7
277.19409	1.4
279.13684	0.9
283.20529	1.1
307.20740	1.7
311.20212	1.1
315.23224	1.1
319.20657	1.2
333.22238	1.2
335.23599	1.8
337.25162	1.5
347.23212	0.9
349.25232	2.0
351.23184	1.6
363.26709	1.9
367.26581	0.9
377.28586	2.0
378.76065	0.8
381.27863	1.4
389.28467	1.2
391.30420	1.2
403.30200	1.9
405.27594	1.2
419.29242	1.1
421.30737	1.1
445.31024	2.0
485.33188	0.9
495.35062	0.9
497.38028	2.0
515.38751	9.5
525.35193	1.0
533.39960	6.6
537.35815	1.7
538.36615	2.4
551.40863	3.7
571.41595	1.8
589.42413	7.9
607.43561	100.0
608.43890	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	607.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
52.84267	0.7
53.03941	4.7
55.01865	9.9
55.05507	26.7
57.03437	4.0
57.07069	3.4
59.52499	0.9
65.03942	5.0
67.05501	59.1
68.05833	2.1
68.99797	0.9
69.03426	1.6
69.07064	40.3
71.05001	2.8
71.08645	0.8
77.03938	2.5
79.05486	57.1
80.05840	1.8
81.03413	7.4
81.07049	61.2
82.07392	1.2
83.04976	7.0
83.08619	8.4
85.06560	2.5
91.05474	93.6
92.05817	1.4
93.07037	49.6
94.07380	1.2
94.33475	1.0
95.01321	13.6
95.04962	21.5
95.05526	1.4
95.08601	42.3
96.08952	1.0
97.06519	14.1
97.10154	4.2
98.23512	1.8
99.08079	1.3
103.05452	4.4
105.04526	4.7
105.07021	100.0
106.07404	1.5
107.04951	20.3
107.08586	25.3
109.06500	5.2
109.10154	11.9
111.04461	1.1
111.08088	2.9
113.09636	1.4
115.05444	4.2
117.07011	27.8
119.08570	54.9
121.06521	3.5
121.10149	13.2
123.04455	2.4
123.08078	3.8
123.11697	3.0
124.60545	0.8
125.09641	3.0
128.06239	4.0
129.06995	13.4
130.07764	2.1
131.08551	33.1
132.08932	0.9
133.06500	2.0
133.10120	47.3
134.10510	1.2
135.08054	3.1
135.11682	9.2
137.09641	3.2
141.07002	3.1
142.07791	2.7
143.08549	11.3
143.09459	1.0
144.09312	1.5
145.06499	1.9
145.10118	24.9
145.11211	1.6
147.08107	1.9
147.11667	27.6
148.12035	0.9
149.09619	6.4
149.13225	6.2
151.11191	2.5
155.08522	6.9
156.09299	1.6
157.10110	9.6
159.08086	1.2
159.11679	22.4
161.09680	1.2
161.13242	8.7
163.11206	3.7
165.09132	1.7
167.08583	2.7
168.09306	1.2
169.10094	8.2
171.11667	9.8
173.13237	9.0
175.11304	1.4
175.14833	4.0
177.12756	3.2
179.08669	1.7
179.14297	13.0
181.10086	5.1
183.11662	5.7
185.13242	6.5
187.11195	4.2
187.14859	3.3
189.12756	1.4
189.16492	0.9
195.11717	4.0
195.13606	1.3
197.13214	4.8
199.14856	3.1
201.12802	1.1
201.16454	1.2
205.12320	1.4
207.11771	1.4
207.13737	1.7
209.13350	2.6
211.14868	2.6
212.15494	1.1
213.16478	1.4
215.17981	1.8
219.17389	1.4
221.13341	1.1
223.14844	2.9
229.19611	2.4
231.21140	1.8
235.14961	1.1
237.16376	2.1
239.17928	2.6
241.19504	9.0
247.20685	1.7
255.17389	1.3
257.18951	5.7
259.20566	10.5
261.16199	1.1
261.37167	1.1
267.21286	1.3
273.18552	1.1
275.20047	50.5
276.20477	2.0
281.17566	1.9
293.21143	3.7
297.22110	1.5
315.23166	11.6
331.22836	1.0
349.23514	4.5
419.22491	1.9
431.18759	1.2
432.19760	1.4
445.20209	1.1
446.20956	1.8
447.21823	1.8
460.22461	1.0
474.20822	1.6
475.21191	2.1
483.34384	1.5
515.38794	2.9
519.23969	2.1
533.39801	2.1
538.36310	1.4
547.23279	9.1
551.40979	1.6
607.25769	12.0
607.43506	49.0
608.25677	2.5
608.44012	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	608.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
53.49564	1.1
55.01865	7.4
55.05505	47.8
55.73069	1.0
57.03434	8.9
65.03934	2.8
67.05495	36.0
69.03418	5.2
69.07060	11.8
70.02928	2.4
71.04974	3.4
73.02930	1.3
73.86887	1.1
76.05072	1.1
79.05486	36.0
81.03408	34.8
81.07047	32.9
81.07504	2.3
83.04971	12.9
83.08609	33.9
85.02892	12.8
85.06544	1.7
91.05470	45.3
93.07024	22.3
95.04951	16.1
95.08585	7.9
97.02845	2.7
97.06525	2.6
97.10155	54.1
98.10515	1.4
101.09605	1.4
103.05442	1.4
105.04546	1.4
105.06344	1.6
105.07017	18.2
107.04939	7.3
107.08576	22.3
109.06503	5.7
109.10149	9.4
111.04448	1.7
111.08041	7.3
115.05473	5.6
117.07003	19.3
118.14901	1.1
119.08564	46.4
121.06473	2.7
121.10113	5.1
123.08099	1.6
125.09618	46.1
128.06245	1.8
129.06961	8.9
131.08546	10.5
133.06476	3.3
133.10127	11.7
135.08043	8.5
136.06174	9.4
137.09627	2.2
141.07007	1.3
142.07733	2.1
143.08543	4.8
143.10664	2.5
145.06467	16.8
145.10124	3.9
147.08017	4.9
147.11656	7.3
149.09605	3.6
153.09087	4.8
155.08575	2.8
157.10104	10.7
159.08086	6.7
159.13945	1.0
161.09619	2.6
163.07552	1.6
165.12720	2.0
169.10135	2.2
171.10141	4.6
173.09601	3.1
173.48369	1.1
175.11163	9.3
189.11189	40.2
193.12221	29.9
211.11172	2.2
211.13252	40.4
225.16359	1.9
227.12746	100.0
228.13155	1.9
243.17339	2.1
245.13861	2.9
253.15868	1.7
258.77802	1.1
267.15887	9.7
271.16898	34.3
273.18533	1.6
285.16937	17.2
289.17923	10.0
337.54965	1.2
345.20642	6.0
348.06946	2.6
350.86945	1.1
363.21729	7.4
419.24173	1.6
437.25256	8.9
438.25443	1.2
439.26718	7.8
455.26440	12.5
555.33063	5.4
573.34027	11.6
574.34863	1.5
608.34186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01871	14.4
55.05259	2.7
55.05507	35.8
57.03439	8.2
57.07058	1.4
59.04994	2.3
59.56272	1.7
64.09926	1.5
65.03922	1.9
67.05167	2.2
67.05500	28.8
69.03420	7.2
69.07063	22.1
69.45482	6.2
71.04965	4.4
72.88599	1.5
73.55429	1.4
79.05488	33.1
81.03413	13.6
81.07052	28.0
83.01327	4.5
83.04972	10.4
83.08611	13.1
85.02880	4.6
85.06521	1.9
91.05467	26.2
93.07035	35.4
95.04966	13.6
95.08594	14.4
97.02891	8.3
97.06519	8.9
97.10136	11.3
99.04426	1.6
100.49853	1.5
105.07020	23.8
107.04941	11.4
107.08578	17.5
109.06499	5.7
109.10161	7.7
111.04395	2.8
111.08079	1.7
115.80943	1.4
117.06999	14.3
119.08558	15.7
121.06474	5.5
121.10149	10.1
123.04472	2.4
123.08059	7.9
125.09595	8.0
129.06972	5.6
131.08551	11.5
133.06425	2.2
133.10100	6.2
135.08037	2.1
135.11650	8.9
137.09590	3.1
142.07750	2.4
143.08514	4.8
145.10109	14.1
147.08025	5.8
147.11661	5.4
149.13234	3.1
152.07135	1.7
154.40105	1.5
155.08527	2.0
157.10080	3.9
159.11691	3.4
163.11180	18.3
171.11671	2.1
173.09612	2.7
175.11171	2.0
177.12674	1.9
181.12244	2.0
189.11102	2.7
193.12250	2.3
193.27510	1.8
195.11443	1.5
208.64046	1.7
209.11697	6.3
211.13242	2.2
223.13240	15.7
227.07890	1.7
227.12779	6.7
249.14633	2.6
267.15973	3.5
273.18497	11.3
275.19983	4.7
283.15372	65.2
285.16672	2.0
291.19501	100.0
292.19894	3.9
340.31064	1.8
347.21732	2.4
349.23523	2.6
365.23199	29.5
541.34686	5.3
573.34167	45.5
574.33734	2.4
608.43640	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	608.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
53.09587	3.7
54.68477	3.6
55.01867	14.3
55.05507	37.6
57.03430	15.4
57.07080	4.5
59.05017	4.8
65.03916	4.8
67.05501	100.0
67.05865	5.1
69.03438	8.0
69.07067	26.8
69.24054	3.7
69.41490	19.4
71.04992	10.9
79.05489	94.3
81.03416	21.9
81.07051	88.2
83.04975	22.9
83.08627	16.6
83.83932	3.7
85.06484	5.8
91.05476	84.0
93.07036	82.7
95.04958	33.8
95.05875	5.1
95.08602	39.2
97.06550	15.5
97.10192	5.6
105.04564	6.9
105.07025	69.1
107.04961	15.4
107.08606	48.7
109.06522	13.0
109.10175	35.8
111.08071	4.3
112.95108	4.1
115.05473	5.1
117.07001	26.5
119.08582	45.0
121.06516	7.6
121.10157	16.1
123.08086	8.8
123.11713	7.6
129.06990	21.2
130.07770	4.1
131.08598	19.9
133.06555	4.0
133.10127	59.4
135.08044	6.3
135.11664	14.4
143.08594	10.7
145.10138	26.6
147.08060	8.5
147.11673	28.8
149.09613	9.0
151.11201	15.2
155.08530	3.8
157.10164	8.3
159.11700	10.9
161.09628	6.6
161.13309	7.2
163.11230	23.1
165.09131	4.8
169.10245	4.8
169.12260	5.9
171.11697	21.9
173.13229	6.8
175.11258	5.5
175.52103	4.9
179.14104	4.5
181.12277	5.2
189.12727	5.8
193.12270	3.8
196.55746	3.9
207.13860	13.2
209.11613	4.8
217.15953	4.3
217.44475	4.5
227.12720	5.8
253.14262	37.9
257.18976	10.2
266.77127	4.2
267.16080	8.8
269.17584	6.2
273.18539	16.3
275.20129	24.4
281.17511	33.4
283.15378	35.0
291.19568	17.3
340.42438	4.7
349.23843	10.3
365.23175	15.9
461.28821	9.2
475.30878	20.9
479.26202	9.7
534.31403	4.1
541.35089	11.5
549.24933	4.3
555.36658	5.8
573.33331	18.6
608.34875	5.8
608.44690	19.4
609.26819	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	608.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56199	4.5
53.03937	6.7
55.01859	10.6
55.05501	33.1
57.03424	13.8
65.03938	10.6
67.05499	91.2
69.06979	25.4
69.07310	25.1
79.05482	100.0
81.03411	17.7
81.07046	92.7
83.04978	16.9
83.08604	17.4
91.05470	80.9
93.07031	93.2
95.04965	24.4
95.08599	53.9
97.06519	22.9
97.10146	6.8
105.04568	6.2
105.07019	61.2
107.04954	15.8
107.08581	46.3
109.06526	11.0
109.10168	11.2
111.08050	7.8
115.05441	5.2
117.07048	25.9
119.08566	49.5
121.06491	5.4
121.10157	25.1
123.08065	10.6
125.09672	7.9
128.06264	6.8
129.07011	18.0
131.08556	23.1
133.10144	32.0
135.11674	17.4
135.34724	4.8
143.08559	18.6
145.10110	19.2
147.11655	39.0
149.09579	15.7
155.08485	6.0
157.10083	11.4
159.11649	14.9
161.09605	5.6
161.13220	15.5
163.11174	14.6
167.08524	5.9
171.11649	25.9
173.13200	6.7
183.11681	7.8
189.12741	13.0
196.11995	5.8
207.13803	31.1
227.12854	4.8
229.19366	4.8
239.18002	8.6
257.18970	10.9
259.20645	9.1
269.17502	13.7
275.20044	25.5
281.17398	48.0
283.15350	10.0
333.24158	6.1
349.23697	13.1
363.99097	5.1
461.28882	21.4
466.87659	5.0
475.30533	75.7
534.40594	6.9
541.33820	6.0
555.36542	20.2
608.43848	45.1
609.26611	13.8
609.44806	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	608.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01882	16.7
55.05507	36.2
57.03427	18.1
57.25486	3.3
60.80804	3.0
63.80996	2.9
65.03924	3.4
67.05501	74.5
69.03442	5.8
69.07076	29.3
69.07555	11.8
71.05006	6.0
72.20329	3.2
79.05487	80.8
79.34245	3.3
81.03425	18.9
81.07047	86.4
83.01324	5.2
83.04975	23.5
83.08607	19.2
85.06551	5.2
91.05467	73.8
93.07040	77.9
95.04974	25.0
95.08610	34.0
97.06512	13.5
99.04467	5.9
105.07021	69.3
107.04951	14.1
107.08583	54.3
107.77575	3.7
109.06503	13.2
109.10144	37.4
114.40649	3.7
116.06228	3.8
117.07005	21.3
119.08560	35.0
121.06477	10.6
121.10136	15.4
123.08070	9.0
123.11694	6.4
125.09606	3.6
127.07513	3.8
128.06233	4.9
129.07002	11.6
131.08597	12.4
133.10106	58.6
135.08031	8.2
135.11670	12.5
143.08542	11.2
145.10098	19.3
147.08029	4.0
147.11668	19.0
149.09583	11.7
149.13188	7.7
151.11192	30.1
157.10143	4.9
159.11719	5.1
161.09569	4.2
161.13239	6.7
163.11169	16.2
169.12180	5.4
171.11636	11.9
181.12126	5.7
189.12753	6.5
207.13768	10.8
209.11624	4.1
253.14326	100.0
254.14742	6.0
269.17514	9.7
273.18494	17.3
275.20038	11.8
281.17493	24.1
283.15332	39.9
291.19464	10.7
347.21884	4.6
365.23132	14.4
448.07858	5.2
461.28741	10.0
475.30463	34.6
479.26352	23.4
553.96643	3.8
555.36462	4.0
573.34357	18.6
608.43896	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	608.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.5
55.01869	10.9
55.05511	30.4
57.03431	8.7
57.24294	4.4
65.03915	5.3
67.05501	78.7
68.05843	5.4
69.07057	33.4
71.04968	5.1
71.08637	5.6
79.05489	83.4
81.03415	12.2
81.07047	70.7
82.07367	5.8
83.04982	12.3
83.08621	17.2
91.05470	89.3
93.07031	77.8
94.07356	3.8
95.04963	29.6
95.08614	42.5
95.45382	5.0
97.06540	11.7
97.10118	6.7
99.08096	6.9
105.04504	5.8
105.07023	77.1
106.07341	5.1
107.04976	14.7
107.08582	33.8
109.06510	6.5
109.10154	13.0
117.07018	24.1
119.08569	50.0
120.08984	6.4
121.10149	19.3
123.08060	6.8
129.07016	19.1
131.08528	23.5
133.10124	38.8
135.11668	13.4
143.08556	18.5
145.10112	26.0
147.11661	47.3
149.13251	10.3
155.08557	5.7
157.10092	8.1
159.11691	19.7
160.12045	5.1
161.13260	19.0
163.11157	5.8
163.77670	4.6
171.11612	24.6
173.13315	8.2
175.11203	5.3
175.14923	6.4
179.14377	8.5
183.11807	5.6
185.13281	8.8
187.11118	4.5
197.31927	5.7
207.13803	12.5
217.98579	5.2
241.19524	7.9
259.20529	15.7
275.20032	23.1
276.20450	11.7
281.17413	21.8
293.21072	36.4
315.23343	5.8
316.23489	6.7
333.24435	10.0
349.23709	4.6
367.24512	6.0
418.17535	10.2
420.22678	8.6
432.18976	10.2
446.20569	9.1
447.21646	11.4
448.21970	10.5
469.16928	4.6
475.20801	13.8
476.21542	8.5
520.23920	13.9
539.37097	10.3
548.23590	71.6
573.37726	18.4
580.26215	14.0
608.25690	100.0
608.43396	42.9
609.25586	7.6
609.44708	19.2
623.74951	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.2
59.59237	0.9
61.26828	1.0
67.05497	5.1
69.03428	1.0
69.07047	1.9
69.22379	3.4
69.22780	2.7
69.98241	1.0
71.02420	0.9
79.05473	1.5
81.03415	1.0
81.07038	6.8
83.08600	1.1
85.02884	1.8
85.06532	1.1
91.05467	1.9
93.07047	3.0
95.04993	1.5
95.08588	7.8
97.02807	1.0
98.97588	3.2
99.08092	1.3
105.07000	2.4
107.08612	2.7
109.09515	1.0
109.10142	6.0
113.03258	1.1
116.98572	1.9
119.08598	3.6
121.06504	1.5
123.08115	1.1
125.09627	2.4
129.17944	1.0
131.08595	2.6
133.10121	2.4
141.06973	1.0
143.08575	2.8
143.10715	1.4
145.10121	3.6
153.01839	3.1
153.19998	0.9
155.08572	1.3
157.10088	3.1
159.03300	1.9
159.11716	1.5
161.13377	1.0
169.10091	1.6
171.11673	1.2
173.09651	3.0
175.03685	1.2
175.11160	2.4
177.04358	1.7
183.11705	2.3
183.67992	0.9
185.13310	1.2
197.13312	3.1
199.11111	1.0
199.14885	1.2
209.13306	1.3
211.14732	1.5
213.12776	1.5
219.05431	1.7
219.75056	1.0
223.14787	1.2
239.17989	2.8
249.16452	2.5
267.17435	14.5
285.18463	55.3
286.19092	1.7
287.20090	1.6
295.20688	1.1
312.21118	1.2
319.20770	1.1
355.06906	1.8
359.14935	1.1
393.27689	5.6
399.11966	1.2
408.24551	1.0
411.28857	26.0
429.20193	1.4
429.29977	20.7
447.31012	22.7
587.91797	1.0
588.53503	1.2
591.28491	2.6
609.19434	100.0
609.28772	5.2
610.19702	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	609.194
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95172	0.8
81.07076	1.2
82.76971	0.9
99.07069	0.9
137.06012	1.0
153.01865	2.7
173.09599	1.0
187.86725	0.9
214.59909	1.1
219.02989	1.1
235.83644	0.8
236.07092	0.9
251.35089	0.9
285.18710	1.0
326.54221	0.9
341.75168	1.0
411.29019	1.7
429.29846	1.7
447.30759	1.1
591.28357	2.0
609.19403	100.0
610.19775	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	609.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96190	1.0
69.03436	2.7
70.06581	2.1
70.07535	1.2
70.07853	1.8
81.03414	2.5
83.49698	1.0
84.02984	3.8
85.92925	1.1
91.05784	2.2
99.04456	1.6
100.02450	4.9
100.98643	1.2
101.00842	1.5
102.04028	10.4
118.03510	21.0
118.51193	1.1
119.01908	3.6
120.05059	4.3
123.04015	1.2
125.05600	1.8
125.24975	1.1
126.04020	1.4
130.03508	1.5
131.01898	1.3
132.05040	1.8
136.04541	11.4
137.02867	1.3
141.05063	21.5
142.03436	1.9
143.01840	2.8
143.06636	29.4
144.05032	3.4
145.03450	1.4
148.04472	1.9
150.06122	1.7
153.01790	1.8
155.01868	2.1
159.06139	23.9
160.04541	1.8
160.06175	1.3
161.02940	3.4
161.07700	43.4
162.07826	1.6
167.01898	2.4
169.04465	5.7
173.02969	2.4
175.11867	3.8
179.01917	1.2
183.06079	3.7
185.02908	7.7
187.05624	100.0
188.05774	2.8
196.04443	1.9
197.02888	2.6
203.03847	2.0
205.06670	66.4
206.06694	2.7
211.05699	1.6
214.05499	1.6
215.03996	2.0
221.07727	2.3
222.06120	1.3
223.09256	3.4
224.07687	3.4
227.04051	1.4
229.06569	1.7
239.08746	35.0
241.06583	1.4
245.05019	9.6
249.07210	1.7
253.06566	1.5
257.09787	3.4
267.08218	52.4
268.08514	1.2
285.09268	73.5
286.09464	3.6
298.08728	2.1
303.10327	1.4
308.10992	1.2
309.09137	3.0
315.11447	5.0
327.10321	98.6
328.10519	3.9
331.09647	2.1
339.10269	4.5
351.10446	2.6
357.11365	14.4
365.04709	1.1
369.11053	1.5
381.11374	3.5
387.12399	26.5
388.11975	1.3
403.01312	2.4
411.12228	2.6
413.14853	2.5
423.70874	1.3
429.08380	1.8
429.13547	19.5
447.14520	23.3
489.15622	6.9
490.15366	1.6
519.16272	1.5
549.12909	1.9
609.19891	16.3
623.27368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39443	0.4
69.76009	1.6
97.67145	0.4
98.22786	0.6
114.24352	0.5
137.05969	0.7
145.90128	0.4
153.01791	0.5
159.04176	1.7
172.75165	0.4
177.05412	0.5
189.05185	0.7
219.06378	1.4
234.08606	4.1
257.48883	0.4
287.92535	0.5
363.12115	0.5
367.11661	0.7
379.11307	1.4
381.13016	1.0
382.13812	2.0
393.12793	0.4
394.13724	1.9
397.12558	3.8
411.14050	0.6
411.29102	0.6
412.14886	6.8
413.15521	1.2
437.32391	0.5
447.31207	1.1
579.21704	1.1
591.27753	0.6
609.22925	100.0
610.23169	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05210	0.5
99.08078	0.3
112.87211	0.4
125.21288	0.3
153.01805	0.7
154.65117	0.3
182.95985	0.3
195.02878	0.4
234.08566	0.4
363.11954	0.8
364.13031	0.5
367.11487	1.5
379.11496	1.8
381.12921	0.9
382.13980	1.9
393.13126	0.4
394.13867	2.0
395.14310	0.4
397.12592	4.2
398.12668	0.4
411.14130	0.8
412.14874	7.3
413.15384	1.3
429.30219	0.6
561.20520	0.6
574.05530	0.4
579.22144	1.0
591.27588	0.4
609.22748	100.0
610.23053	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	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.22492	0.7
67.05496	1.0
69.62268	2.9
81.07043	0.7
91.05811	0.8
93.07025	0.7
98.22810	1.7
98.23450	1.4
125.51383	0.6
135.50433	0.7
209.10461	0.8
212.73660	0.8
317.99539	0.7
355.06540	0.9
377.17603	1.8
379.19177	0.9
390.18195	0.7
391.19345	2.9
392.19940	2.1
393.20877	1.1
405.16940	3.0
405.21399	1.6
406.17551	1.5
406.22208	1.0
407.22424	5.2
418.17810	1.9
419.18338	4.7
420.19211	3.8
421.20181	2.1
433.15543	1.6
433.21030	5.8
434.21237	5.4
435.21866	10.4
447.18127	3.1
447.22989	1.1
448.18445	1.2
449.19318	1.7
461.19891	2.4
462.20367	8.4
463.21091	7.6
475.21643	3.5
479.20798	0.9
489.22711	1.7
490.24136	1.0
507.19910	1.2
508.23779	0.9
521.25555	9.3
549.24902	27.5
550.25391	1.5
577.24658	1.0
581.27435	1.8
586.81250	0.8
609.26965	100.0
610.27466	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	609.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.5
53.03944	8.7
54.73160	1.3
55.01867	7.6
55.05510	25.0
57.03432	13.9
61.02911	2.9
65.03927	2.5
67.05500	56.3
69.03424	18.9
69.07062	14.4
69.22664	1.6
71.01356	1.8
71.04993	9.4
73.04738	2.0
79.05486	49.8
81.03413	100.0
81.07053	37.4
83.04978	21.9
83.08617	17.8
85.02896	20.0
85.06548	5.1
91.03941	1.7
91.05457	40.7
93.07040	52.4
95.04964	30.7
95.08598	15.1
97.02890	17.1
97.06532	12.1
97.10171	12.5
99.04447	6.0
99.08093	2.2
103.05454	2.3
105.04502	1.7
105.07014	25.4
107.04930	9.9
107.08588	31.5
109.02883	16.4
109.06532	8.5
109.10149	11.7
109.50605	1.3
111.04436	13.8
111.08068	10.1
117.07001	8.6
119.04905	1.5
119.08577	21.9
121.06510	6.8
121.10140	14.6
123.04408	2.5
123.08032	3.2
123.11727	1.8
125.09664	6.6
127.03937	9.6
128.06201	1.9
129.05487	1.5
129.06998	11.7
130.07748	1.4
131.04987	1.7
131.08531	10.0
133.06500	4.1
133.10124	13.1
135.08063	4.8
135.11690	30.4
137.09612	3.1
141.06978	1.8
142.07805	2.3
143.08553	5.0
145.04994	4.7
145.06514	3.4
145.10107	13.5
147.08052	3.3
147.11678	12.0
149.09607	5.7
151.07518	1.3
151.11189	2.9
153.12747	4.4
155.08577	3.9
157.06418	2.0
157.10132	9.1
159.08047	1.6
159.11711	2.6
161.09641	1.6
163.11159	12.0
165.12755	6.1
169.10179	2.3
171.07907	1.6
171.11642	2.9
173.04454	3.1
173.09679	1.4
173.11871	1.5
173.13361	1.5
175.11191	9.1
177.12665	1.6
181.12218	14.0
183.11699	1.5
185.09714	1.4
185.13332	2.1
189.12773	1.8
191.10651	4.2
193.12221	28.3
197.09412	1.3
199.13260	1.9
203.14293	1.9
211.13275	44.8
221.15257	1.5
227.12720	7.0
229.14261	2.5
237.14952	1.7
242.81129	1.4
243.13947	2.2
253.14334	2.1
255.15945	14.4
261.14911	2.8
267.15915	9.3
273.14783	2.4
277.14502	1.4
277.43369	1.3
283.15546	1.7
285.16974	4.9
301.14377	2.2
313.16727	1.4
325.13031	1.4
325.16174	6.6
327.23053	1.8
337.11572	10.3
337.16135	1.9
337.21567	2.1
355.07053	3.4
355.17514	7.7
355.22687	4.1
355.90335	1.5
381.19080	4.7
393.18555	2.1
403.24622	1.6
411.20126	4.5
429.26367	4.8
447.27393	21.2
459.17709	2.1
465.28354	12.2
487.20593	2.5
489.27826	1.5
531.29254	1.8
555.29773	1.7
573.30548	2.3
591.31372	7.2
593.09540	1.9
609.25653	22.8
609.32751	46.7
610.25830	2.7
610.34491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43509	0.7
53.03924	0.9
55.05501	2.7
56.10867	0.7
61.02907	0.8
67.05511	4.2
69.03421	2.7
69.07063	12.4
69.21961	4.6
79.05483	2.7
81.03419	1.1
81.07037	8.0
85.02888	7.1
88.03527	0.8
90.61160	0.7
91.05505	2.7
93.07046	3.7
95.04935	2.1
95.08584	5.2
97.02936	1.7
97.10183	1.3
98.60046	0.8
98.91832	0.8
99.03749	0.9
99.04419	0.8
105.07022	6.3
107.08569	4.4
109.06522	2.9
109.10152	10.4
111.11740	1.8
111.49040	0.9
117.07014	1.8
119.05001	0.9
119.08606	5.0
121.10132	2.2
123.11725	1.4
127.03940	1.4
127.11172	1.3
129.07021	1.7
131.08557	4.4
133.10130	2.3
135.08070	0.8
137.05949	2.1
143.08572	6.4
145.04979	2.2
145.10104	5.7
147.08055	2.0
147.11693	2.9
153.01860	2.5
155.08560	1.9
156.09370	0.9
157.10161	3.3
159.08080	1.5
159.11719	3.9
161.09608	1.0
161.13225	0.9
167.08601	1.0
169.10167	2.7
171.08038	1.5
171.11745	3.1
173.09679	3.1
173.13231	1.3
176.04463	3.0
179.08597	1.4
181.10071	1.9
182.10922	1.1
183.11714	2.9
185.09647	1.4
185.13315	3.1
187.11092	1.3
189.09091	2.0
191.10553	1.1
193.10139	1.2
195.11749	2.8
196.12463	0.9
197.09656	1.7
197.13194	3.9
199.11234	3.4
199.14801	4.3
201.12685	1.1
201.16516	1.0
204.07721	2.9
205.10098	1.1
207.11760	1.1
209.09567	1.0
209.13297	3.5
210.10403	1.0
211.14850	2.4
212.11943	1.0
213.12781	2.7
213.16367	1.0
215.14366	1.0
217.10193	1.3
221.13208	1.0
223.11212	1.5
223.14774	1.8
224.15540	0.9
225.12675	4.1
225.16422	1.1
227.14294	2.4
235.14816	1.1
237.12665	1.7
237.16458	3.2
239.14415	2.8
247.14857	1.5
250.13570	1.6
251.14380	1.2
251.17992	0.9
255.17612	2.0
255.21080	1.9
257.15439	1.4
263.14078	1.1
265.15860	4.7
267.17490	1.9
275.08923	1.3
277.10416	9.8
283.16879	14.0
284.17432	1.6
285.18555	3.8
299.16467	1.6
301.17935	88.9
302.18423	7.9
303.19571	0.9
309.07416	2.1
311.20242	1.8
313.18079	1.4
315.19818	1.3
319.20364	1.1
319.59305	0.9
324.09634	10.8
325.10385	1.1
327.19461	2.3
328.20419	1.6
329.21347	2.3
337.21472	1.6
341.21133	2.1
342.21924	1.3
355.07349	2.2
355.11465	64.5
355.22433	5.4
356.11899	4.3
368.23602	1.2
375.27084	2.0
393.27765	5.6
411.28864	100.0
412.29089	5.5
429.29959	52.9
430.30475	3.5
438.53177	1.0
447.31024	17.4
448.31323	1.3
579.22223	2.2
605.15369	1.0
609.23163	30.7
610.23383	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	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03940	0.8
55.01861	1.7
55.05506	14.4
57.03431	3.4
57.07072	2.1
59.04979	0.5
65.03934	1.4
67.05498	26.4
69.03407	0.5
69.07059	11.0
70.69947	0.5
71.04989	1.3
74.94071	0.4
77.03937	0.4
77.17734	0.4
79.05486	16.4
81.07049	21.8
83.04968	1.3
83.08608	6.3
85.06536	1.6
91.05463	13.9
93.06435	0.8
93.07034	17.2
95.04967	3.0
95.08597	19.0
97.06503	2.6
97.10157	4.0
99.08101	0.5
103.05422	0.6
105.04530	0.8
105.07019	13.8
107.08580	10.8
109.06519	1.3
109.10138	9.1
111.08088	0.8
111.11691	0.5
115.05421	2.1
117.07005	8.4
119.08569	14.5
121.10130	7.4
123.08080	1.1
123.11673	2.6
125.09624	1.4
128.06213	2.8
129.06987	11.1
129.07956	0.4
130.07808	0.6
131.08553	13.7
133.10109	10.5
135.08066	0.5
135.11685	4.7
137.09642	0.4
137.13268	0.8
141.06982	5.1
142.07787	3.1
143.08546	13.5
144.09276	0.8
145.10106	13.2
147.11662	7.2
149.09566	0.7
149.13213	2.8
153.07047	1.0
154.07788	1.6
155.08534	11.2
156.09338	1.8
157.10110	13.3
157.11380	0.7
158.10651	0.8
159.11676	9.9
161.13258	3.9
163.11086	0.7
163.14874	1.2
165.07040	0.8
166.07748	0.7
167.08533	6.2
168.09386	1.8
169.10110	15.3
170.10883	0.8
171.11667	9.9
172.12157	0.5
173.13220	6.2
174.13847	0.4
175.14825	2.1
177.16504	0.6
179.08537	1.9
180.09338	0.8
181.10097	8.6
182.10901	1.1
183.11670	14.7
183.13310	0.7
184.12100	0.7
184.21738	0.4
185.11684	0.3
185.13228	8.2
186.13683	0.6
187.14778	3.9
187.16040	0.3
189.16422	1.2
191.08609	0.6
191.17957	0.7
193.10107	2.6
194.10909	0.7
195.11676	9.0
196.12363	0.8
197.13229	10.4
198.13910	0.5
199.13124	0.6
199.14806	5.0
201.16405	2.0
203.18002	0.7
205.10091	0.4
205.15840	0.5
207.11621	2.9
208.12457	0.7
209.13205	6.9
210.13925	0.6
211.14775	7.5
212.15346	0.4
213.12947	0.3
213.14691	0.7
213.16397	3.8
214.17079	0.4
215.17984	1.2
217.15916	0.5
219.11736	1.1
221.13219	3.1
222.13873	0.5
223.14799	5.8
224.15587	0.4
225.12938	0.4
225.16385	5.5
225.18388	0.6
227.18143	2.6
231.91061	0.4
233.13242	0.8
233.18907	0.6
235.14735	2.2
237.16345	4.3
238.16878	0.4
239.17955	3.4
241.15729	0.6
241.19499	1.5
247.14795	0.9
249.16434	1.7
251.17970	2.7
253.19565	1.2
255.21335	0.6
257.18854	0.6
259.20563	0.5
263.18008	1.5
265.19470	1.0
267.17307	0.6
267.20996	1.1
269.18896	0.7
275.17542	0.5
275.20145	1.1
277.19550	0.9
279.21152	1.2
281.19025	0.4
281.22708	0.7
283.20422	0.8
285.00568	0.5
285.18387	0.5
285.22083	0.6
287.20480	0.5
287.23770	0.4
289.19275	0.5
293.22321	0.5
295.20535	0.5
295.24075	0.4
297.22256	1.4
299.20120	0.6
299.23621	0.7
301.21667	0.5
307.20673	0.5
307.24234	0.4
309.22195	1.3
311.19977	0.4
311.23651	1.3
313.21634	1.0
313.25171	0.5
315.23196	0.4
321.22101	1.1
323.23792	1.5
325.21762	0.8
325.25339	1.0
327.23236	0.6
333.97989	0.4
335.23691	1.2
337.21649	0.5
337.25314	1.5
339.23087	0.9
339.26788	1.1
341.24695	0.7
347.23575	0.7
349.25296	1.1
351.23117	0.7
351.26770	2.1
353.24652	0.7
353.28638	0.7
355.06961	0.6
355.26291	0.6
357.24188	0.4
361.25137	0.5
363.26776	1.2
365.24509	0.5
365.28464	1.5
367.26312	1.0
369.27942	0.8
377.28360	0.9
379.25790	0.8
379.29944	1.1
383.29572	0.6
391.30011	1.1
393.27472	0.7
393.32089	0.8
393.41888	0.4
399.29211	0.4
403.29977	0.5
407.29074	0.6
409.30823	0.7
417.31668	0.5
421.30704	0.7
423.32571	0.9
425.30499	0.4
429.31775	0.4
431.33063	0.4
435.32794	1.0
447.32666	1.9
449.34412	0.6
461.34174	1.0
473.32639	0.6
475.35355	0.8
487.34296	0.7
499.39709	2.1
501.36044	0.8
507.34561	0.5
513.35889	0.4
515.37512	0.6
517.40405	12.7
518.40826	0.8
521.36145	1.2
525.35437	0.9
527.37714	0.6
535.41467	6.2
536.41754	0.4
539.36938	1.7
540.38422	0.6
541.38470	0.5
553.41742	1.1
555.42029	0.6
573.42816	2.0
591.44055	12.9
592.44440	1.3
609.45050	100.0
610.45367	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	609.4508
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03952	0.5
55.05508	5.7
57.03421	1.4
57.07056	0.7
65.03945	0.7
67.05499	13.5
67.05861	0.7
69.07058	5.5
77.03944	0.4
79.05486	9.2
81.07050	13.6
81.74853	0.6
83.04988	0.8
83.08598	3.1
85.06549	0.9
91.05473	8.4
93.07037	9.0
95.04957	1.5
95.08002	1.0
95.08597	10.4
97.06520	1.3
97.10188	1.6
99.08128	0.7
105.04504	0.9
105.07030	7.3
107.08586	7.5
109.10154	5.4
115.05402	0.5
117.06998	3.7
119.08567	7.6
121.10142	5.4
123.08001	0.6
123.11713	2.1
125.09646	1.0
128.06197	1.0
129.06998	4.0
131.08566	6.8
133.10115	5.5
135.11682	3.2
137.13228	1.0
141.06999	2.1
142.07776	1.3
143.08542	6.0
144.09360	0.8
145.10115	7.0
147.11662	3.8
149.13264	2.0
155.08577	4.8
156.09354	1.3
157.10115	7.2
159.11696	5.6
161.12076	0.6
161.13208	2.4
163.14760	1.0
167.08603	1.8
168.09314	0.7
169.10121	6.0
171.11650	5.4
173.13240	4.2
175.14870	1.8
179.08636	0.7
181.10092	3.9
183.11670	6.5
185.13251	4.1
187.14766	2.9
189.16451	1.0
195.11687	4.2
197.13249	5.3
199.11424	0.5
199.13239	0.8
199.14845	3.4
201.16362	1.5
207.11729	1.5
209.13266	4.3
211.14807	4.9
213.16399	1.6
215.17944	1.3
221.13190	1.1
223.14832	3.0
225.16409	1.9
227.17973	1.6
235.14897	1.4
237.16466	1.5
239.17892	2.4
241.17751	0.9
241.19841	0.6
247.20413	0.5
249.16373	0.8
251.17961	1.2
253.19672	1.2
257.19110	1.0
261.22287	0.5
263.17892	1.1
265.19589	1.2
275.20065	2.3
279.17422	0.6
279.20877	0.9
283.20413	0.7
285.22037	0.9
309.21988	1.0
311.23633	1.0
313.21616	0.6
313.25195	0.7
321.22046	0.8
323.23541	1.3
325.25241	1.0
327.23358	0.7
335.26215	0.6
337.25177	1.4
339.26785	0.8
347.23529	0.9
349.25354	1.0
351.26846	2.2
353.24631	0.7
353.28558	0.6
355.26300	0.6
365.28299	1.6
369.28027	0.9
375.27753	0.6
377.28601	0.9
379.26154	0.7
391.30240	0.9
395.29605	0.7
403.29486	0.6
405.31424	0.6
407.29269	1.2
419.33047	0.7
425.29861	0.6
435.32608	0.9
447.32709	2.0
449.34592	0.7
475.35471	0.8
487.34366	0.9
499.39517	2.2
501.35797	2.0
513.36462	0.7
515.37726	0.8
517.40314	11.3
521.36243	0.8
525.35645	0.8
527.37701	0.8
535.41461	5.9
539.37396	2.3
540.37921	0.9
549.24762	0.8
555.42377	0.8
573.43237	1.1
591.44012	8.3
609.45074	100.0
610.45416	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	609.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.00370	0.7
55.01861	2.3
55.05506	15.1
57.03436	4.5
57.07072	2.5
62.84244	0.7
65.03934	1.4
67.05499	28.5
68.05830	1.0
69.03421	1.1
69.07064	17.3
69.13979	4.0
71.04985	1.5
71.07329	0.8
71.08604	0.8
73.74420	0.6
79.05485	20.8
79.11950	0.7
81.03425	1.3
81.07051	31.8
81.92997	0.7
83.04972	2.5
83.08612	7.8
85.06538	2.1
91.05446	17.1
93.07037	22.2
95.04946	3.8
95.08601	23.5
97.06535	2.9
97.10177	3.1
99.08076	1.2
100.84039	0.8
103.05479	1.4
105.04545	0.9
105.07021	20.1
107.04937	1.0
107.08588	13.8
107.09260	1.2
108.08917	0.9
109.06539	1.3
109.10152	10.7
111.08101	2.4
115.05449	1.3
117.07003	10.8
119.08565	19.1
121.10139	8.4
123.08087	1.7
123.11739	2.4
125.09629	1.2
128.06230	2.7
129.06982	11.7
131.08560	15.3
133.10121	11.1
135.11656	4.7
137.09657	0.9
139.11162	0.9
141.06966	7.6
142.07759	3.6
143.08537	16.9
144.09349	1.4
145.10104	16.3
147.08107	0.9
147.11668	6.6
149.09619	1.1
149.13290	2.9
151.11124	1.4
153.06978	2.0
154.07730	1.6
155.08553	13.9
156.09366	2.4
157.10104	15.7
159.11679	10.6
161.13226	5.5
163.14810	1.3
165.07043	1.7
166.07739	1.0
167.08540	6.9
168.09335	1.7
169.10103	18.3
169.11458	1.4
170.10519	0.8
171.11673	13.1
173.13257	7.9
175.14882	2.8
179.08548	2.8
179.14252	0.9
180.09393	1.7
181.10086	11.1
182.10878	1.7
183.11674	17.3
183.96625	0.7
184.12181	1.0
185.13234	11.8
187.14851	4.2
189.16451	1.8
193.10190	2.8
194.10863	1.2
195.11681	10.4
196.12396	1.7
197.13225	14.1
199.14828	8.2
201.16394	2.2
203.17946	0.9
205.10123	1.4
207.11732	4.2
208.12262	0.9
209.13217	8.9
211.14809	9.4
213.16432	5.3
215.18071	1.0
219.11789	1.1
221.13304	3.1
221.15358	1.0
223.14809	6.9
225.16315	5.4
227.18019	4.1
233.13359	1.4
235.14766	3.6
237.16368	4.5
239.09396	1.1
239.18025	3.7
241.19524	2.3
249.16458	2.4
251.18076	3.3
252.18155	0.9
253.19585	2.5
255.21240	1.4
259.20587	0.9
261.22223	0.8
263.17966	1.7
265.19614	2.0
267.21182	1.6
275.20206	1.1
276.76944	0.7
277.19482	1.2
279.21008	0.9
281.22757	0.9
285.00977	1.7
285.18735	0.7
285.22348	0.8
295.20422	1.2
297.22137	1.4
299.05997	0.7
305.22479	1.0
307.20340	1.2
309.21887	1.6
311.23669	1.2
313.21719	0.9
321.22202	1.7
323.23718	1.4
325.21750	0.9
335.23785	1.6
337.25412	2.1
347.23621	1.4
349.25330	2.0
351.26886	2.6
353.24686	1.2
355.07077	2.2
363.26794	1.9
365.28326	1.1
367.25992	1.0
377.28638	1.3
379.25800	1.0
389.28662	0.9
391.30048	1.1
393.31815	1.0
433.30875	0.9
435.32074	0.9
441.01361	0.8
447.32401	1.9
459.31665	0.8
460.60587	0.8
475.35400	1.9
483.35373	0.9
499.39749	1.7
501.34979	1.0
515.38025	0.8
517.40387	14.9
518.41150	1.2
535.41479	6.7
539.37793	1.8
553.41046	1.1
573.42987	1.9
591.43903	12.1
592.43854	0.9
609.45074	100.0
610.45538	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	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.03423	2.5
64.20143	2.0
67.05495	5.8
69.03421	8.6
69.07061	11.5
70.57056	3.1
70.57382	1.9
71.04977	15.0
73.04726	3.0
73.28338	1.8
79.05476	12.1
81.03424	4.6
81.07047	9.9
83.04967	11.8
84.04488	7.6
85.02897	27.3
86.80490	1.9
91.05487	7.8
93.07046	17.2
95.04978	9.0
95.08596	6.4
97.02872	7.8
97.06526	16.8
98.46276	1.7
99.04452	12.6
105.07027	24.5
107.02982	1.8
107.04933	11.1
107.08584	12.9
109.02862	4.3
109.06495	6.5
117.06985	4.1
119.04893	5.7
119.08571	7.8
121.06500	12.6
121.10152	2.3
125.05964	19.7
127.03909	5.4
129.05479	6.0
129.07004	2.4
130.04993	11.3
130.07790	2.5
131.08565	5.8
133.06490	4.0
133.10149	2.8
135.11661	4.2
137.02277	2.7
137.05946	8.1
138.13660	2.3
139.07535	4.5
143.07004	15.6
143.08588	4.1
145.04984	1.9
145.06444	4.0
145.10106	44.3
147.07616	10.6
147.11681	5.5
151.07648	2.8
151.71957	2.1
153.01826	5.3
155.08516	3.5
157.08618	2.0
158.07285	3.1
159.08031	3.4
159.11694	19.1
161.09578	3.1
163.11171	64.2
165.01785	3.0
169.10135	7.3
173.09613	35.9
175.83469	2.0
179.08585	2.9
181.12198	7.2
187.11179	28.6
189.12753	4.1
191.10634	15.5
194.98531	1.9
197.09566	8.4
205.12247	20.7
209.11681	3.3
215.10669	26.1
225.15137	1.8
225.45596	1.8
227.12802	6.4
229.04948	3.1
233.11688	60.6
233.13914	3.6
251.12782	47.8
257.04504	2.6
269.13797	20.5
287.05487	40.1
303.04956	100.0
355.07156	3.1
395.16940	2.1
413.17957	16.0
449.10791	4.0
575.22968	5.1
610.19025	2.4
633.00238	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	610.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.4
55.05501	4.4
65.07335	3.4
67.05494	4.8
69.03420	10.2
69.07067	19.4
70.80152	5.6
71.04998	3.7
77.09271	2.8
79.05504	18.9
81.03412	11.0
81.07046	18.7
83.04981	13.5
83.96758	3.2
85.02915	17.4
91.05492	13.0
93.07037	23.7
95.04970	14.9
95.08595	12.5
97.02885	9.0
97.06516	38.8
99.04423	17.7
105.07026	36.9
107.04952	8.8
107.08575	21.7
109.02849	5.7
109.06513	11.9
117.07001	9.1
119.04908	6.6
119.08606	10.3
121.06509	31.5
125.05984	31.8
127.03909	7.4
129.06960	5.9
130.07782	7.7
131.03926	2.8
131.08609	17.2
133.06482	5.2
133.10129	6.6
135.08017	4.7
135.11638	7.9
137.05997	9.6
139.07552	4.8
141.06995	4.2
143.06998	32.2
143.08615	6.3
144.42201	3.2
145.06480	9.9
145.10115	74.3
147.08037	3.3
147.11653	6.2
151.07533	3.5
158.07260	6.6
159.08043	11.1
159.11716	24.3
163.11174	75.4
169.10118	9.3
171.08061	4.1
172.08803	4.9
173.09592	69.6
181.12256	9.3
185.09708	4.5
187.07545	4.4
187.11153	47.8
189.12770	5.9
191.10674	26.3
197.09625	10.5
199.11243	4.2
205.12213	36.3
209.11816	4.0
215.10643	48.1
227.12805	10.3
233.11694	100.0
251.12732	62.9
269.13901	18.0
275.12650	4.1
287.05457	14.8
317.13654	3.5
355.07071	6.4
359.14621	3.7
366.19254	3.8
377.15881	6.3
395.17041	8.0
413.17990	26.7
440.70944	3.5
575.23199	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	610.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24870	1.5
53.03941	2.2
55.01865	10.0
55.05508	30.4
57.03436	13.5
65.03936	1.9
67.05160	2.8
67.05499	44.2
69.03433	8.2
69.07060	31.5
69.69852	3.8
71.04982	5.7
71.08640	1.6
73.04745	5.5
77.03967	1.7
79.05486	39.7
81.03409	40.7
81.07051	43.8
83.04987	10.0
83.08618	19.8
85.02892	10.9
85.06522	2.6
91.05434	37.6
93.07039	31.8
95.04959	21.6
95.08588	21.4
97.02884	10.5
97.06516	5.6
97.10150	13.8
98.23410	2.1
105.07020	30.5
107.04948	14.7
107.08576	18.4
109.06487	8.2
109.10126	7.8
111.04463	2.4
111.08064	8.7
112.07641	1.7
115.05428	1.8
117.06993	11.8
118.10717	1.4
119.04885	2.1
119.08572	24.4
121.06487	4.5
121.10130	12.3
123.08035	5.7
123.11714	2.8
125.09608	7.8
129.07014	11.7
131.08560	15.0
133.06500	3.7
133.10110	15.5
135.08032	6.0
135.11668	10.2
137.09573	2.9
142.07724	2.8
143.08514	3.6
145.10117	12.7
147.08043	7.9
147.11668	10.4
149.09639	7.7
149.13292	3.2
153.08986	2.8
157.10089	9.1
159.11681	4.8
161.09578	2.3
163.11163	11.3
165.12709	1.8
167.05545	3.6
169.10175	2.0
171.11600	2.1
175.11198	9.2
181.12149	2.3
189.11215	4.3
193.12247	25.2
195.13792	2.8
209.11734	1.8
211.13268	36.5
223.13275	16.1
227.12785	17.1
239.09563	2.4
249.14780	4.2
267.15900	14.8
269.17401	3.7
273.18423	14.5
275.20010	5.9
283.15485	12.7
285.00861	2.4
285.16992	30.2
287.05350	1.8
291.19504	100.0
292.19931	2.3
299.06305	3.2
327.11349	1.7
349.23654	3.8
355.07025	10.1
365.23141	32.8
365.27557	2.2
418.99844	1.9
460.10712	1.8
463.26987	3.7
477.28439	12.3
514.80725	1.9
557.34491	15.2
575.35645	21.8
576.36169	1.5
612.79852	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96358	3.1
55.01871	19.8
55.05265	2.8
55.05507	42.0
57.03430	25.2
59.05015	4.0
65.03942	5.9
67.05163	5.1
67.05502	84.2
69.03426	4.1
69.07056	31.1
70.91885	3.8
71.04985	8.8
72.38971	3.0
77.03930	4.1
79.05046	4.4
79.05492	76.9
81.03407	38.0
81.07048	85.0
83.01321	11.3
83.04977	25.5
83.08612	26.5
85.02859	6.0
85.06546	8.0
91.05450	66.0
93.07039	82.4
94.04215	3.5
95.04955	29.7
95.08595	38.4
97.06524	17.5
97.10150	7.5
103.05487	4.2
105.04479	3.3
105.07024	45.8
107.04969	17.0
107.08594	42.2
109.05826	3.1
109.06511	16.0
109.10155	18.7
111.08048	9.7
117.07007	26.1
119.08559	31.7
121.06488	11.4
121.10167	24.4
123.08047	15.5
123.11742	4.3
125.09581	3.5
129.06990	9.3
131.08542	22.1
133.10132	40.3
135.08011	9.3
135.11679	28.5
137.09608	3.8
143.08586	6.9
145.10120	28.7
147.08130	3.8
147.11670	14.7
149.09613	15.1
149.13255	14.0
151.11148	12.8
157.10173	5.5
159.11673	13.6
163.11189	36.1
171.11653	4.1
173.09579	4.0
173.13252	3.9
175.11139	5.2
181.12300	5.3
193.12210	12.3
195.13777	7.7
205.12250	3.4
209.11725	12.5
211.13280	14.6
213.14999	3.4
218.37579	3.0
227.12755	8.2
239.09599	4.8
253.14223	24.2
255.15857	11.2
257.19031	4.1
267.15829	4.7
269.17444	14.4
273.18402	8.8
275.20038	25.5
281.12488	3.2
283.15372	71.7
285.00977	3.8
285.16916	9.5
291.19574	9.1
299.06140	5.9
347.22076	4.3
349.23679	13.2
355.06894	12.9
365.23022	8.9
463.26608	22.2
477.28473	100.0
496.97217	3.4
557.34961	16.0
575.35645	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	610.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24781	2.6
55.01868	17.1
55.05507	43.8
57.03436	20.8
59.05002	5.9
59.72667	2.7
65.03931	3.7
67.05499	83.6
67.05864	4.0
69.03431	8.5
69.07070	30.9
71.05000	8.4
73.04765	11.3
77.56162	2.5
79.05490	78.7
81.03411	32.3
81.07052	100.0
82.07400	2.7
83.01339	7.0
83.04977	27.4
83.08617	30.7
85.02908	7.0
85.06577	4.0
91.05394	63.0
93.07040	84.2
93.07603	5.5
95.04965	30.3
95.08598	48.7
97.02854	6.0
97.06537	18.7
97.10178	9.9
99.04440	3.7
99.08117	3.6
105.04504	2.8
105.07028	53.1
107.04950	17.1
107.08587	50.2
109.06507	15.3
109.10165	20.1
111.04467	5.4
111.08084	9.4
117.07024	25.2
119.08575	42.2
121.06501	9.6
121.10120	28.3
123.08056	13.2
123.11702	5.7
125.05983	3.5
125.09638	6.1
129.07031	7.1
131.08554	24.6
133.10123	30.1
135.08057	9.5
135.11681	35.1
137.09634	6.1
143.08551	4.6
145.06366	3.5
145.10118	34.7
147.08112	3.7
147.11681	8.9
149.09595	10.2
149.13277	11.9
149.82382	3.4
150.02605	2.4
151.11191	6.8
153.12744	5.0
155.08533	3.8
157.10129	7.5
159.11629	16.2
161.09560	4.5
161.13287	4.5
163.11188	37.3
165.12816	3.3
167.05585	7.8
173.09616	4.7
175.11267	4.1
177.12718	5.3
179.29131	2.5
181.12184	6.9
191.10655	3.7
193.12292	8.2
195.13799	12.1
209.11771	12.7
211.13327	10.7
213.14848	3.1
225.61096	2.8
227.12721	18.0
229.19380	2.8
239.09509	9.7
245.18849	3.2
253.14323	11.7
255.15929	17.3
257.19058	8.7
267.16010	6.0
269.17398	29.1
273.18530	4.7
275.20041	36.6
283.15387	92.3
285.01022	8.1
285.16962	8.8
287.05490	4.1
291.19556	7.4
299.06131	8.5
344.97540	3.4
349.23828	12.4
349.59445	2.4
355.06982	25.5
365.23322	6.8
367.24814	7.2
393.06213	2.6
463.26892	29.8
477.28427	90.5
478.28955	3.5
496.14539	2.8
557.34546	15.1
575.35876	16.5
610.45264	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	610.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01863	11.3
55.05506	26.8
57.03431	11.5
65.03925	5.9
67.05499	69.7
69.03422	5.4
69.07059	22.3
69.42203	8.5
71.04995	7.1
73.04764	5.8
79.05488	49.5
81.03410	50.2
81.07053	71.3
83.04968	22.8
83.08614	22.1
85.02893	15.1
85.06541	6.1
88.21294	1.9
91.05446	66.4
93.07038	43.7
95.04960	34.1
95.08602	24.3
97.02885	4.1
97.06524	5.6
97.10162	8.6
99.04439	2.0
101.06010	1.9
105.07025	57.9
107.04939	14.6
107.08588	29.7
109.06511	10.2
109.10143	33.4
111.04420	5.0
111.08069	11.9
113.06025	3.6
113.39473	2.0
115.05438	3.3
117.07013	8.3
119.08570	26.7
121.06494	10.3
121.10129	13.9
123.08069	5.2
123.11701	7.1
124.03096	1.8
125.09637	5.3
128.06245	3.1
129.06998	12.2
130.22974	1.9
131.08554	19.7
133.06496	9.9
133.10126	58.4
135.08061	5.9
135.11668	5.6
137.09637	2.4
142.07822	3.4
143.08533	5.3
145.06514	2.9
145.10129	9.2
147.08046	7.1
147.11673	14.4
149.09615	8.4
151.11165	25.1
157.10129	12.6
159.11682	3.0
161.09610	7.6
161.13226	1.9
163.07655	2.5
163.11176	4.5
165.12733	3.9
167.05624	3.3
169.12233	6.0
171.11784	2.3
175.11169	12.5
185.13174	2.2
189.11188	2.7
193.12236	37.6
211.13254	54.7
223.13292	6.1
227.12805	2.6
239.09430	3.3
251.12740	2.9
253.14337	100.0
255.17516	2.7
256.26398	2.4
263.20120	2.6
267.15775	12.6
271.15353	3.7
273.18454	25.8
275.19870	2.2
283.15149	3.3
285.01028	3.7
285.16956	36.8
291.19525	52.2
342.25598	1.9
347.22122	6.7
355.07007	7.5
365.23224	28.5
366.23529	2.7
445.25305	2.0
463.26703	10.8
481.27716	4.8
518.71680	2.0
557.34668	12.2
575.35687	32.3
576.35907	4.0
611.35645	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	610.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.9
53.03951	8.3
55.01858	18.9
55.05508	41.4
57.03432	19.5
57.07053	5.6
67.05500	70.4
69.03421	8.5
69.07063	35.6
71.04989	8.8
73.04761	8.9
79.05484	74.1
81.03405	17.5
81.07050	71.6
83.01344	8.9
83.04976	19.8
83.08620	30.3
85.02917	5.8
85.06540	6.1
86.32419	3.3
87.35380	3.1
91.05386	48.3
91.05905	6.8
93.07037	84.4
95.04967	41.1
95.08601	52.0
97.06532	14.3
97.10176	9.7
98.23522	7.2
98.97604	3.1
99.04466	8.3
103.12064	3.1
105.07018	53.3
107.04945	14.1
107.08590	55.8
109.06519	7.9
109.10149	14.4
111.04474	4.4
111.08101	7.8
117.07020	26.5
119.08557	35.4
121.06496	8.6
121.10125	26.9
123.08078	11.9
125.09617	6.9
129.06990	8.8
131.08563	19.1
133.10110	26.9
135.08022	8.7
135.11676	53.5
143.08565	8.7
145.06479	4.1
145.10117	45.1
147.08147	4.1
147.11682	13.2
149.09634	13.3
149.13268	13.9
155.08516	5.5
159.11676	10.7
161.13240	4.6
163.11172	52.7
167.05571	8.7
169.10027	5.8
171.11684	4.4
173.09569	4.3
177.12727	6.4
181.12215	8.6
187.14954	3.4
195.13748	6.5
209.11781	11.2
223.13264	14.0
227.12753	61.8
229.19400	5.0
239.09534	6.4
239.17732	3.8
247.20552	4.6
255.13474	4.1
255.15698	17.8
257.19019	11.5
268.97723	5.9
269.17508	15.7
275.20068	45.5
278.33368	2.8
283.15384	100.0
284.15811	3.4
285.00903	7.8
291.19525	7.6
293.21036	13.5
299.06161	7.9
331.22653	3.9
349.23788	25.8
355.07016	18.4
367.24777	11.4
463.26791	25.7
477.28464	47.3
557.34607	24.8
575.35657	17.4
587.32098	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	610.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74191	3.7
53.03938	9.5
55.01863	21.4
55.05506	55.2
57.03434	18.9
57.07072	6.7
59.04982	5.9
65.03938	6.4
67.05505	79.8
69.03416	5.5
69.07057	33.4
69.45896	18.0
70.07375	4.1
71.04986	15.8
71.08636	18.7
73.04758	15.9
75.20885	3.9
79.05486	94.2
81.03418	32.3
81.07047	91.3
81.07499	6.9
83.01354	9.4
83.04985	21.1
83.08619	25.3
85.02920	8.7
85.06526	6.1
91.05491	63.1
91.05906	12.3
93.07043	100.0
95.04959	31.2
95.08599	54.0
97.06535	13.9
99.08100	10.1
105.07021	65.8
107.04952	19.5
107.08582	48.8
109.06513	15.3
109.10168	21.3
111.08044	6.6
115.05466	4.1
117.07011	19.4
119.08551	44.9
121.06514	14.2
121.10130	35.3
123.08082	12.8
125.09669	8.5
128.06256	5.3
129.07002	11.7
131.08578	30.8
133.10110	42.1
134.10501	5.7
135.08038	7.1
135.11687	37.2
137.09682	4.9
140.61461	3.9
143.08574	8.4
143.34837	3.9
145.06477	5.2
145.10112	38.3
147.11674	25.3
149.09547	8.4
149.13266	13.3
151.11166	8.5
155.08627	5.0
157.10114	12.3
159.11670	15.8
160.60051	4.2
161.13266	15.0
163.11197	37.7
167.05528	9.3
169.10201	5.5
171.11740	8.1
173.09602	4.6
173.13354	6.3
177.12782	4.7
179.14296	33.9
183.11777	5.0
189.06674	4.3
193.12296	8.5
209.11664	9.3
211.13373	12.1
227.12833	7.8
238.30341	4.4
239.09499	13.9
241.19550	6.0
253.14412	5.4
257.18875	6.3
259.20578	14.5
267.15903	12.2
275.20090	12.5
277.18839	4.0
277.21478	22.3
283.15369	58.7
284.15817	4.5
285.00922	13.8
285.16962	28.2
293.21069	93.5
299.06281	12.9
315.23276	5.1
325.49451	5.2
333.24237	11.5
351.25253	18.3
355.07025	25.4
356.07059	5.8
367.24771	17.3
373.08118	6.9
477.28381	18.6
541.34979	7.2
543.36920	10.4
561.37878	20.3
575.35455	19.1
610.45642	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	610.431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35614	3.8
53.03927	3.9
55.05505	34.3
57.03422	9.6
57.07055	5.4
67.05155	7.1
67.05498	88.0
68.05817	4.3
69.07085	20.4
69.18637	23.9
71.04978	4.6
71.08621	15.5
71.62917	4.8
72.69812	3.7
73.04743	15.0
73.06530	4.9
77.03913	5.3
78.53815	4.0
79.05483	100.0
80.05820	4.5
81.03394	15.2
81.07045	95.3
82.07353	4.8
83.04951	16.4
83.08614	16.1
91.05390	62.7
92.05780	5.3
93.07034	93.8
94.07381	5.7
95.04964	39.1
95.08591	43.4
97.06508	11.6
97.10172	7.6
99.08073	13.4
105.04490	6.8
105.07017	61.9
107.04936	6.8
107.08582	38.0
109.06509	14.4
109.10153	13.8
111.08054	6.6
117.07014	12.8
119.08557	39.5
121.10130	16.8
123.08016	4.1
129.06972	14.5
131.08559	17.2
133.10159	19.3
135.11667	17.3
141.47270	4.1
143.08473	5.4
145.10097	21.6
146.10518	5.2
147.04405	5.3
147.11659	26.6
149.04533	5.1
149.13145	8.6
151.11206	21.1
159.11685	13.0
161.09549	6.0
161.13222	18.3
163.11203	18.7
167.05452	6.7
167.10770	4.3
169.10126	5.2
171.11642	22.7
175.14777	4.3
177.12781	4.7
179.14296	7.9
189.12703	12.2
200.57132	3.7
207.13773	25.4
217.13614	4.0
227.12733	7.5
239.09464	15.8
241.19650	6.2
259.13412	4.1
259.20547	9.5
269.17380	13.9
275.20004	11.9
276.20306	8.3
277.21597	17.4
281.17471	47.6
283.15393	7.4
285.00922	15.1
299.06201	9.6
334.07330	4.7
351.25201	16.9
355.06955	37.5
379.24768	5.2
415.03156	5.6
418.99152	5.5
475.30411	72.6
476.30667	5.9
557.38300	21.4
610.17401	6.0
610.35999	4.1
610.45789	27.1
611.18146	4.5
611.28058	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	611.1386
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
55.01875	0.3
68.99462	0.2
68.99773	1.3
73.04742	0.6
81.03414	0.7
83.04977	0.3
83.43568	0.3
85.02882	0.4
91.05820	1.3
93.03430	0.3
95.04897	0.3
98.22943	1.4
105.43407	0.2
107.04973	0.2
109.02875	0.8
111.00819	1.2
111.04447	0.4
121.02896	0.4
123.03566	0.4
123.04399	2.3
127.03905	22.6
133.02878	0.6
135.04411	0.6
137.02299	1.2
139.03893	23.0
140.04210	0.3
141.06935	0.3
147.04379	0.9
147.07541	0.3
149.02342	1.0
151.03896	6.2
153.01837	0.5
154.28801	0.3
157.06557	0.3
159.04405	0.3
161.05936	0.4
163.03909	1.7
165.05438	0.5
167.03372	0.7
171.04330	0.3
173.05927	0.5
175.03885	2.8
177.05486	1.0
179.03384	8.2
181.04941	1.0
183.04637	0.3
185.05936	0.4
189.05484	1.0
191.03366	3.1
193.04907	1.2
197.06049	0.3
199.03900	0.7
201.05432	1.0
203.03369	4.1
203.07005	0.4
205.04962	0.6
213.05443	2.1
215.03539	0.3
217.04915	0.9
229.04970	1.3
231.06564	1.4
233.04468	1.6
237.02669	0.5
241.05064	1.2
245.04457	2.9
251.05495	0.5
257.04425	3.1
258.04990	0.4
259.05997	0.9
263.05457	3.8
269.04434	0.9
271.05942	0.4
275.05499	4.5
286.01102	0.3
287.05469	100.0
288.05756	2.1
289.07178	0.4
299.05508	4.2
305.06454	2.5
307.08154	1.8
311.05453	0.8
317.06519	4.4
323.05301	0.5
341.06415	0.9
353.06497	0.6
355.06912	0.6
356.07175	0.5
365.06253	0.5
371.06876	0.3
385.44742	0.3
395.07446	0.4
407.07623	0.8
425.08658	4.7
437.08649	0.5
443.09659	3.0
449.10727	9.6
455.09454	0.3
473.10498	0.8
515.11694	0.3
557.12543	0.3
611.15735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32954	2.0
54.99250	2.0
55.01883	3.7
57.03433	4.5
59.16255	2.0
61.02916	2.9
68.99795	7.9
69.80892	2.2
69.81232	6.3
73.04729	2.6
81.03422	6.5
84.04527	3.9
85.02907	9.7
91.05781	3.6
93.03423	2.9
97.02901	4.0
107.04953	4.6
109.02888	5.5
111.04449	2.6
121.02876	8.8
123.04415	2.9
130.04997	6.9
131.04990	2.6
133.02809	3.0
133.06453	3.2
135.04382	16.3
137.02339	100.0
137.03409	5.8
139.03952	3.3
147.04404	5.4
147.07635	5.5
149.05998	3.5
151.03943	3.3
153.01826	2.3
155.04874	1.9
161.02364	4.2
161.05986	4.5
163.03914	4.7
165.01855	4.5
175.03931	5.7
177.01857	7.0
177.05502	2.5
179.03389	12.4
185.05994	2.3
187.03897	5.3
189.01833	10.5
189.05516	5.0
191.03352	10.8
193.04890	2.4
195.02913	13.8
201.01834	4.3
201.05386	4.9
203.03401	12.5
205.04980	5.4
207.02840	13.1
209.04388	3.7
209.16446	2.0
213.05435	3.6
215.03392	3.9
217.04942	12.4
219.02834	11.0
221.04362	4.6
225.03874	3.9
227.03372	3.5
229.05011	10.7
231.02806	10.3
231.06482	2.2
233.04410	3.2
237.03946	3.1
239.03329	2.6
241.05046	3.2
243.02864	8.3
243.06474	2.7
245.04398	4.6
247.05986	3.3
249.03946	2.9
255.02910	2.7
257.04541	6.3
259.06058	7.0
261.03906	11.2
264.81396	2.2
267.06723	3.8
271.02701	1.7
271.05994	5.7
273.03992	8.9
283.06024	6.7
284.06714	4.1
285.01279	2.3
285.03876	11.3
287.05475	65.0
288.05920	2.9
291.04993	5.1
295.06052	5.4
297.07483	2.5
299.05606	8.3
300.06061	3.2
303.05240	2.3
310.04758	15.0
311.05475	67.8
311.09064	4.7
312.05984	6.8
313.07114	8.5
315.04807	2.4
321.05972	2.5
323.05463	43.7
324.06235	12.5
325.07013	14.2
327.04965	7.8
329.06598	5.6
335.05408	5.6
336.06302	4.4
337.07034	23.3
338.07739	9.8
339.08099	3.7
341.06497	81.8
342.06769	4.3
345.06293	4.4
349.06989	7.9
351.04950	2.3
351.08578	11.2
352.09085	2.6
353.06485	49.6
354.06827	2.5
355.07458	2.6
363.08295	11.3
365.06454	27.5
365.10461	3.1
367.08099	17.1
369.05746	2.6
371.07648	20.0
377.06381	13.8
379.08203	3.6
381.09824	7.4
383.07626	4.5
389.06613	4.9
390.07312	2.4
391.08047	8.9
393.08041	6.5
395.07587	48.1
396.07980	4.0
405.09018	5.9
407.07486	26.7
413.08502	3.5
419.07605	19.6
423.09183	4.8
425.08594	31.7
433.09128	2.8
437.08707	19.2
441.10214	6.1
443.09830	30.2
449.10068	10.1
455.09763	24.1
461.09042	6.2
473.10764	65.6
474.10867	3.0
479.09659	7.7
491.11548	17.0
497.10724	27.0
503.09671	3.8
509.10477	4.8
515.11737	8.1
521.10608	6.6
527.11798	20.7
539.11823	20.3
545.12744	5.0
557.12842	21.7
558.12769	2.8
575.13684	16.4
593.14868	7.5
611.15179	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	611.16
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
57.03421	2.6
61.02907	2.1
63.24402	1.6
71.41925	2.1
75.08029	1.3
80.69626	1.5
85.02892	5.1
93.03351	1.9
98.23261	1.5
103.03919	2.9
103.88460	1.4
107.04957	3.1
109.02837	1.7
117.03351	1.5
135.04405	7.7
137.02321	28.7
156.23663	1.5
161.02336	4.0
163.03836	2.1
171.04347	1.7
176.00992	2.3
177.01796	4.2
179.03358	4.0
182.67920	1.6
187.03847	2.5
189.01781	9.1
190.02536	1.7
191.03349	6.5
195.02863	4.6
201.05479	2.8
203.03375	11.6
205.04930	2.8
207.02847	7.7
212.69647	1.6
213.05486	1.7
215.03328	2.1
217.04817	3.6
219.02869	7.2
221.04453	3.6
227.03349	2.6
229.04942	5.1
231.02702	2.3
233.04506	3.9
239.03465	1.8
241.04909	1.6
243.02873	2.1
255.02844	2.4
257.04437	2.6
267.06375	2.5
269.04556	1.6
270.05026	1.7
283.05878	3.9
284.06854	3.8
285.04083	3.6
287.05264	3.1
291.52530	1.7
295.06039	5.2
296.06720	2.3
297.07471	6.3
299.05444	6.4
305.82196	1.6
307.05844	2.4
309.07651	3.6
310.04669	23.4
311.05457	75.7
312.06180	8.3
313.06998	11.2
320.06549	1.6
322.08395	1.7
323.05438	48.8
323.09241	2.9
324.06207	15.3
325.06995	14.4
329.06567	6.8
335.05521	7.6
335.08884	1.8
336.06238	3.4
337.07010	27.4
338.07895	11.0
339.04883	3.4
339.08563	4.0
341.06525	100.0
342.06812	2.7
349.07004	6.6
350.07904	1.7
351.04813	2.3
351.08530	12.4
352.05780	2.5
353.06522	59.3
353.10779	3.5
354.06741	3.9
355.08145	2.7
361.07022	3.0
363.08542	10.0
365.06482	35.3
365.10962	2.7
366.07159	3.1
367.08112	21.4
369.06061	1.7
371.07587	22.0
377.06390	16.1
377.10309	2.4
379.07941	5.5
381.09790	11.1
383.07605	4.2
389.06448	5.2
391.07996	10.1
395.07553	50.5
396.07803	2.2
401.06244	2.1
403.07928	2.8
405.09665	4.9
407.07553	31.1
408.08423	2.1
409.08676	1.7
417.09592	3.1
419.07422	22.5
425.08643	41.7
426.09079	1.9
426.41571	1.8
431.07654	3.0
433.08948	2.8
437.08633	22.3
443.09726	38.9
444.09528	2.2
449.09009	3.5
455.09775	30.0
461.09302	5.7
473.10782	81.3
474.11237	2.2
479.09689	4.3
491.11697	17.0
497.10724	25.6
503.09460	4.0
509.10712	3.2
515.11774	19.1
521.10504	7.1
527.11847	24.0
539.11615	19.4
545.12579	6.7
557.12848	23.8
575.13959	20.4
593.15039	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	611.1602
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03422	2.6
69.03413	1.1
69.57925	0.5
70.91965	0.6
71.04987	13.0
75.55746	0.5
81.07047	0.7
83.04980	1.0
85.02898	18.5
85.03413	0.9
87.04469	0.7
93.22944	0.5
97.02876	1.7
97.06548	0.9
105.07023	0.5
109.02891	0.9
111.00813	0.8
118.59220	0.6
121.02886	0.9
127.03914	0.8
129.05461	4.0
130.04944	0.9
137.02347	2.5
145.10114	1.2
147.06496	0.6
153.01825	2.7
163.11147	2.1
165.01817	1.9
166.02567	0.5
173.09558	0.8
183.02885	1.0
191.10663	0.7
201.05432	1.1
204.12271	0.5
229.04948	3.6
233.11697	1.9
234.12056	0.8
247.06027	0.7
251.12874	0.9
257.04486	2.1
285.03864	1.0
287.05499	10.6
303.04962	100.0
304.05124	2.7
449.10959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03929	0.2
55.01880	0.2
55.05497	0.2
57.03176	0.2
57.03428	1.8
59.04984	0.2
61.02912	1.0
65.03922	0.2
68.93923	0.1
68.99460	0.1
68.99784	0.5
69.03421	0.9
71.01328	0.2
71.04981	9.7
73.02889	0.4
75.04464	0.6
75.88375	0.1
81.03396	0.5
83.04977	0.7
85.02890	14.5
87.04431	0.3
88.56322	0.1
91.03938	0.7
93.03405	0.3
95.04986	0.2
97.02877	1.3
99.04449	0.3
109.02878	0.5
111.00780	0.8
111.04396	0.3
117.53926	0.2
121.02854	0.7
123.04420	0.1
127.03907	0.8
129.05455	3.3
135.04396	0.2
137.02316	2.8
137.03366	0.3
145.04947	0.5
145.06512	0.1
147.06528	0.8
149.02277	0.3
153.01790	2.9
155.04984	0.2
161.06029	0.2
163.03940	0.5
165.01840	1.4
173.05925	0.3
183.02829	0.6
183.04294	0.2
187.03868	0.3
191.03300	0.2
201.05373	1.3
205.05019	0.2
219.06584	0.2
219.81551	0.1
221.06003	0.1
229.04939	3.4
245.04320	0.1
247.05919	0.7
257.04419	2.1
274.04514	0.7
285.03882	1.0
287.05472	0.9
299.05502	0.1
303.04932	100.0
304.05264	3.0
315.04883	0.5
341.06610	0.2
345.06024	1.0
356.07352	0.1
369.06052	0.5
411.06821	0.2
447.09109	0.2
449.10547	0.2
454.41803	0.2
465.10153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.01853	0.1
61.39860	0.1
66.77604	0.1
67.05450	0.1
68.99783	0.2
69.07021	0.1
69.41038	0.3
79.05437	0.1
81.03413	0.1
81.07047	0.1
83.04928	0.1
85.02859	0.2
91.05380	0.1
93.07015	0.2
95.08556	0.1
97.02827	0.1
97.06432	0.1
98.23475	0.1
99.04446	0.1
99.07997	0.1
105.06984	0.2
106.07348	0.1
107.04939	0.1
107.08556	0.2
109.02827	0.1
109.10136	0.1
111.00726	0.1
119.04871	0.1
119.08595	0.1
121.02813	0.2
121.06485	0.1
121.10078	0.1
123.04353	0.1
125.05995	0.1
131.08571	0.1
133.06470	0.1
137.02318	1.3
137.05940	0.1
141.06969	0.1
143.04933	0.1
143.06972	0.1
145.10068	0.2
146.10361	0.1
147.04384	0.1
149.02255	0.2
149.05861	0.1
150.02998	0.1
153.01767	0.1
157.06464	0.3
159.11584	0.1
161.05925	0.2
163.03802	0.1
163.11136	0.4
164.11543	0.1
165.01753	0.1
167.04898	0.1
171.04442	0.1
173.09564	0.2
175.03830	0.2
175.07567	0.1
177.01822	0.1
181.12251	0.1
185.05948	0.6
187.11145	0.1
189.05431	0.3
199.03917	0.1
203.06938	0.1
205.12410	0.1
213.05415	1.4
214.05647	0.1
216.04143	0.1
227.03282	0.1
231.06396	0.6
233.11647	0.2
234.11954	0.2
241.04868	0.8
242.05699	0.2
242.83655	0.1
251.12733	0.2
252.13194	0.1
259.05914	0.2
269.04276	0.4
287.05441	100.0
288.05768	3.0
303.05084	0.2
340.00391	0.1
383.23019	0.1
413.30151	0.2
431.31824	0.1
449.10727	11.2
450.10959	0.4
611.16052	0.7
611.25006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Cyanin
Peak:m/z	Relative Intensity
51.29483	0.2
52.21195	0.2
56.96553	0.2
65.30167	0.1
68.99780	0.2
69.03413	0.2
69.75248	0.4
81.03408	0.3
91.05799	0.4
98.97572	0.3
103.98180	0.2
117.03278	0.2
119.02698	0.2
121.02905	0.2
137.02330	1.2
143.04907	0.3
145.06433	0.4
149.02298	0.3
153.01828	0.5
157.06470	0.2
161.03021	0.2
161.05862	0.3
161.55295	0.2
163.03780	0.2
163.07455	0.3
185.05954	0.4
187.05644	0.3
189.05392	1.0
205.06682	0.2
207.06425	0.4
211.00771	0.4
211.02650	0.2
213.05473	1.1
214.05949	0.2
216.98634	0.5
228.98656	0.3
231.06519	0.6
232.98155	0.2
234.99776	0.3
241.04950	0.7
241.08505	0.2
247.04973	0.2
259.06168	0.2
261.01453	0.2
269.07999	0.4
271.96420	0.2
273.01898	0.2
274.99161	0.2
285.09338	0.3
287.05463	100.0
288.05820	2.9
302.98404	0.3
303.01590	0.3
311.11710	0.2
328.10681	0.2
329.10168	0.8
341.06668	0.3
359.11911	0.3
389.12219	0.3
394.99231	0.2
405.01196	0.2
409.54025	0.2
431.13556	0.3
449.10751	12.5
450.10977	0.3
495.34766	0.2
500.10934	0.2
570.89038	0.2
611.16486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67139	0.9
53.03928	2.1
55.01880	1.5
55.05490	2.0
57.03430	1.8
59.66607	1.0
67.05487	2.6
69.03416	10.3
69.07069	1.5
69.31011	5.2
71.04964	3.9
73.04742	3.2
75.04469	2.1
79.05474	11.3
81.03402	8.2
81.07036	3.5
83.04984	1.5
84.04459	1.0
85.02886	3.7
91.05397	11.6
93.07026	59.9
95.04948	4.1
95.08598	2.8
96.04481	11.0
97.02885	5.5
103.05455	1.5
105.04504	1.6
105.07028	8.7
107.04971	1.2
107.08584	6.0
109.02855	2.8
109.06438	1.2
109.10143	4.1
111.04406	1.5
111.08074	2.0
114.05508	100.0
117.07019	1.4
119.08564	15.0
121.06493	1.9
121.10120	60.3
123.08084	1.7
127.03886	2.8
129.06938	1.1
131.08557	4.5
133.06386	0.9
133.07523	0.9
137.05960	4.2
143.03349	2.7
145.04982	1.3
145.10075	1.1
146.03717	1.1
149.09586	21.1
151.03888	1.9
151.07545	1.1
153.01799	40.1
154.02193	1.4
156.06508	3.1
159.11591	1.2
161.05998	1.4
161.09462	1.6
167.05565	2.4
167.06961	1.2
167.10655	7.5
175.03661	4.2
179.07089	1.1
181.04900	1.2
189.05229	1.6
219.06201	1.2
234.08548	3.1
239.09395	1.8
266.06549	90.8
267.06912	2.0
285.00894	2.3
287.05432	9.8
293.13885	3.1
299.05954	1.5
301.10730	2.2
308.07635	2.9
311.14786	5.7
355.06879	3.1
356.06946	2.8
399.13776	1.5
406.18509	3.4
413.15659	1.7
413.30524	2.5
431.31656	2.8
449.10825	1.4
449.32727	1.6
549.60577	1.0
558.19684	2.5
576.20807	6.3
611.24420	42.1
612.24493	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	611.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15825	0.4
76.83486	0.4
85.02925	0.4
91.05772	0.4
98.22541	0.3
139.01750	0.4
155.41002	0.3
159.04172	1.7
175.03671	0.4
189.05188	25.9
190.05440	0.3
202.06013	0.5
203.06749	7.0
204.07597	1.4
207.06306	0.4
216.07533	1.8
217.08336	7.9
217.10396	0.5
232.07008	0.7
233.07944	1.4
234.08595	0.5
282.81348	0.3
287.05478	0.9
343.05630	0.4
356.07202	0.6
369.12714	0.9
383.14627	1.2
399.14105	2.6
413.15622	4.8
413.30453	0.5
414.16425	5.6
415.16666	0.4
429.15567	0.4
474.16330	1.0
563.22113	0.5
581.23212	0.5
611.24432	100.0
612.24835	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	611.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
58.85888	0.8
60.04848	0.9
67.05500	3.0
73.04744	2.2
75.90146	1.0
81.07051	2.7
85.02903	1.9
85.41625	0.8
91.05840	1.7
93.07025	2.8
95.08596	1.4
97.02861	1.2
105.07048	1.7
109.10165	1.9
119.08603	1.2
122.06015	1.5
122.09658	2.8
123.11734	0.9
125.09637	2.1
131.04893	1.5
137.05951	3.1
138.09129	1.1
140.71429	0.9
150.09061	1.0
151.03815	1.6
161.05946	1.3
162.77139	1.0
163.10918	0.8
163.50645	0.9
164.07037	1.3
166.08603	2.5
166.12268	1.0
167.05629	1.8
167.07025	7.1
181.04935	1.1
196.13435	1.2
200.09477	2.0
202.07401	2.9
207.95667	0.9
215.11804	1.3
217.09732	5.0
227.08081	1.6
228.08951	3.2
233.09204	2.2
235.10695	2.2
243.11322	2.0
259.10751	2.6
261.08661	41.1
261.12051	2.0
261.12515	1.9
261.83160	0.9
262.08929	1.1
271.10825	2.9
287.05511	4.7
287.10214	32.7
320.13870	1.9
324.12973	1.1
338.14914	1.5
349.17953	2.2
355.06873	1.1
356.07156	2.9
364.12848	29.6
364.16489	2.1
364.20255	2.1
366.14352	3.7
378.14005	1.4
378.18256	2.4
380.19736	5.5
382.21237	1.5
383.14828	2.0
392.16098	2.9
394.21106	1.4
398.17081	11.6
408.19113	46.8
409.19351	2.7
409.71078	1.1
412.22223	1.5
413.30402	1.8
424.18515	9.5
438.20184	100.0
439.20648	4.8
448.24042	1.4
456.21161	2.8
474.16135	2.6
575.28601	83.2
576.29730	4.3
593.29321	5.5
611.23889	9.8
611.30933	6.1
612.23822	1.0
616.06812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3786
Annotation	Blechnoside B
Peak:m/z	Relative Intensity
51.01782	0.9
53.03938	1.5
55.05491	4.0
61.02894	1.0
66.52676	0.9
67.05495	17.0
69.03395	1.6
69.06706	1.5
69.07060	16.0
69.64288	4.2
71.04985	2.5
75.91059	1.0
79.05482	7.4
81.07042	22.4
83.04950	1.2
83.08601	3.1
85.02885	6.8
91.05450	8.2
93.07026	16.8
94.89330	1.0
95.04966	3.0
95.08597	25.8
96.09029	1.0
97.02884	2.0
97.06506	4.8
97.10152	2.2
99.04448	1.0
99.08085	2.1
105.07013	16.8
107.04929	2.2
107.07919	1.7
107.08578	16.8
109.02877	1.2
109.06508	2.8
109.10143	48.5
111.08041	3.6
117.07017	2.5
119.08544	12.7
121.06477	5.6
121.10131	12.7
123.08041	6.1
123.11681	3.2
125.09593	1.1
127.11163	4.8
128.06192	1.5
129.06998	3.7
131.08551	7.6
133.06461	2.0
133.10138	8.1
135.08005	2.9
135.11685	7.1
137.09526	1.5
137.13284	1.7
141.06995	1.6
143.08540	6.7
145.04857	1.2
145.10097	9.6
147.08014	3.5
147.11638	6.6
149.09612	1.4
149.13219	5.9
151.11119	1.5
155.08519	3.9
157.10088	7.6
158.36871	1.2
159.08078	2.3
159.11671	6.2
161.09601	5.7
161.13220	13.6
163.11136	1.8
163.14824	3.0
165.02429	1.0
167.05464	1.2
167.06903	1.8
169.10089	2.0
171.08072	1.7
171.11655	5.8
173.09644	4.5
173.13263	2.6
175.11137	8.9
175.14732	1.7
177.16356	3.5
179.14256	10.4
181.10109	1.9
183.11636	3.1
185.13251	2.6
187.11130	2.2
187.14690	2.3
189.12729	5.7
189.16290	2.1
193.12105	1.5
195.11697	1.7
197.13229	2.8
199.14777	10.2
201.12732	1.6
201.16374	2.0
209.13202	1.4
211.14661	1.5
215.14313	7.3
215.17886	1.6
217.12389	1.1
217.15854	15.5
227.14241	1.9
229.15779	1.3
233.15247	7.5
233.18861	1.3
235.10704	1.3
235.16902	4.9
237.16391	1.2
245.15372	2.1
251.18143	1.4
263.16321	7.1
267.17294	1.6
269.18939	2.2
285.18604	1.5
287.05417	3.3
287.19986	4.3
295.20459	1.5
313.21649	1.6
321.22073	1.8
327.23175	1.8
339.23129	5.4
345.24203	2.2
357.24332	7.3
364.77133	1.3
377.28177	4.8
395.29401	24.9
413.30450	100.0
414.30823	8.1
419.48520	1.1
431.31497	44.4
432.31543	2.4
449.32663	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	611.3787
Annotation	Blechnoside B
Peak:m/z	Relative Intensity
53.03172	1.0
55.05503	3.5
56.95805	1.1
57.03405	1.4
57.07048	1.5
59.04986	1.3
60.27859	1.1
65.03944	1.2
67.05498	14.6
69.03420	2.8
69.06765	1.1
69.07068	13.2
71.04984	2.5
79.05487	7.6
81.07043	16.8
83.04977	2.2
83.08604	2.5
85.02882	4.7
85.06529	3.6
87.04446	1.4
91.05418	6.1
93.07033	15.3
95.04964	2.6
95.08601	20.9
97.02882	1.6
97.06489	5.0
99.08080	2.4
105.07019	12.0
107.04942	2.3
107.08585	20.8
108.28240	1.0
109.06493	2.4
109.10143	51.1
111.08078	2.6
111.40481	1.1
117.07014	2.6
118.00890	0.9
119.08556	11.8
121.06491	5.6
121.10140	12.6
122.09695	1.0
123.08059	6.4
123.11681	2.8
124.16939	1.0
125.09623	7.3
127.11174	10.3
129.06975	2.5
131.08572	6.7
133.10118	10.3
135.08015	3.6
135.11678	6.7
137.06001	1.7
137.09546	1.7
137.13225	2.0
138.09143	1.2
143.08586	6.8
145.10115	9.1
147.08041	4.0
147.11662	7.0
149.09569	2.2
149.13231	4.1
151.11058	1.5
153.01833	1.4
154.79666	0.9
155.08553	4.0
157.10138	7.9
159.08015	1.6
159.11685	6.1
161.09563	4.5
161.13229	7.7
163.11110	2.8
163.14804	1.8
167.07034	2.3
169.10109	2.2
171.07950	1.3
171.11591	4.9
173.09572	6.6
173.13228	3.9
175.11168	9.1
175.14752	1.2
177.16379	2.2
179.14287	5.3
181.10123	2.0
183.11693	2.2
185.09579	1.6
185.13206	2.8
185.42741	0.9
187.11230	2.4
187.14842	2.1
189.12747	2.9
189.16374	1.1
191.10657	2.9
193.12178	1.2
193.56778	1.0
195.11690	2.4
197.13264	2.9
199.11115	2.2
199.14769	5.2
201.12743	4.9
201.16434	1.8
202.10817	1.1
203.14430	1.0
209.13171	2.8
210.11659	1.0
211.14764	2.1
213.12718	2.1
213.16412	1.7
215.14265	6.0
217.15903	7.1
219.30304	1.1
221.13216	2.2
223.14787	1.8
227.14307	3.3
229.15869	1.2
233.13281	1.1
233.15352	4.0
235.16844	1.0
239.14319	2.1
239.17943	1.5
241.15849	3.3
241.19537	1.5
251.17921	3.5
253.15909	1.0
259.16815	1.6
263.16443	1.4
265.15982	1.2
267.17340	1.9
269.19043	5.6
277.19357	1.4
281.18890	1.3
285.18393	3.0
287.05408	3.8
287.20053	15.5
295.20630	2.0
313.21667	1.9
321.22165	3.8
339.23160	4.6
356.06927	1.9
357.24158	8.7
377.28467	2.7
395.29385	17.0
413.30453	100.0
414.30707	3.8
431.31494	34.2
432.31870	2.7
449.32605	55.8
450.32645	2.5
545.51172	1.5
548.23456	1.7
575.35358	2.9
611.23413	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	611.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
57.03440	1.4
67.05501	16.2
68.01178	1.1
69.03429	1.1
69.07063	13.2
69.36743	2.9
69.37130	2.3
71.04979	3.7
79.05495	4.0
81.03406	1.3
81.07048	11.4
85.02895	3.8
87.49961	1.0
91.05450	1.7
93.07059	6.8
95.08597	9.4
97.02851	1.2
97.06490	2.0
98.22655	2.1
103.05491	1.9
105.07045	3.8
107.08604	6.0
109.10145	100.0
110.10451	1.2
111.08033	1.6
117.07021	1.9
119.08604	7.5
121.06510	1.9
121.10142	3.8
122.00452	1.3
127.11186	44.2
128.11542	1.3
129.06985	2.0
131.04947	2.5
131.08513	2.6
133.10098	3.4
135.08063	1.5
135.11720	1.7
143.08530	2.7
145.10127	5.6
147.08034	1.8
147.11722	4.6
149.09639	1.2
153.01831	2.2
155.08603	2.3
157.10121	5.0
159.11681	3.6
161.09621	3.1
163.07541	2.7
167.14310	1.5
169.10144	2.0
171.11649	2.7
173.09656	6.4
175.11145	2.8
181.10118	1.1
183.11705	4.4
185.09669	1.6
185.13318	2.2
187.11208	2.0
195.11716	3.9
197.13412	1.3
199.11212	2.4
199.14767	2.6
201.12715	7.9
209.13269	4.2
211.14827	4.5
213.12709	1.7
219.85587	1.3
223.14848	3.2
227.14381	1.6
234.70052	1.1
239.17879	1.9
240.91199	1.3
241.15919	5.7
241.19511	1.9
245.15392	1.3
247.39998	1.1
251.17972	8.1
259.16965	4.0
267.21292	1.1
269.18970	24.6
271.16772	1.7
285.18292	2.4
287.05441	3.0
287.20026	67.4
288.20425	3.0
289.17981	3.9
313.21524	1.9
395.29480	7.2
413.30453	77.9
414.30917	5.8
431.31506	7.4
449.32520	1.9
575.36029	1.3
611.19537	2.1
611.27997	2.0
637.31152	1.3
639.59088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3788
Annotation	Blechnoside B
Peak:m/z	Relative Intensity
67.05523	13.4
69.07085	24.8
69.51794	17.7
73.04779	5.8
79.05528	11.1
81.07077	21.0
83.08650	8.7
85.02914	12.2
93.07071	19.4
95.08607	30.2
105.07061	22.1
107.04949	8.1
107.08627	18.8
109.10145	48.3
117.06981	6.8
117.17671	5.2
119.08617	23.0
121.06536	7.1
121.10200	14.9
123.08090	6.6
123.11783	6.5
127.11227	16.8
131.08617	19.4
133.10161	7.1
135.11763	8.7
143.08578	14.3
145.10199	13.5
147.11723	5.8
157.10103	14.1
159.11713	11.8
161.13234	10.2
163.14801	6.8
167.07062	7.3
171.11752	8.7
173.09589	7.0
175.11217	14.6
179.14372	7.8
189.05272	16.1
195.50919	5.9
199.14909	7.8
211.14644	5.8
215.14407	14.7
233.15392	20.5
261.08774	10.7
263.16562	9.8
269.19012	9.4
271.17123	11.6
285.18390	9.1
287.05493	31.8
287.20154	12.7
289.05307	6.6
327.23215	12.6
339.23340	10.0
356.06543	6.3
377.28482	7.6
395.29382	74.3
413.30478	100.0
414.31000	10.5
431.31494	25.6
432.32996	7.2
438.20053	17.2
474.16034	14.4
575.28876	6.8
593.29517	8.5
611.23224	69.8
612.24420	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74088	9.9
55.05516	18.3
67.05484	27.6
79.05476	19.3
81.07054	15.8
91.05817	10.8
93.07040	18.8
95.08590	15.3
96.37997	11.8
105.07022	13.4
110.39059	13.0
119.08646	13.2
121.10182	15.0
143.08524	10.5
207.11774	12.8
267.20935	10.0
346.52722	11.3
372.44931	11.4
472.04263	11.6
513.35199	14.2
573.92505	12.8
611.46454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.27144	0.9
55.01862	1.2
55.05511	14.2
57.03426	3.9
57.07060	2.8
65.03941	2.5
65.83482	0.9
67.05498	37.2
69.03417	0.9
69.06693	7.1
69.07069	10.6
71.04992	1.5
71.08644	1.4
72.88728	1.0
77.03911	1.0
79.05489	25.5
81.07047	37.2
83.08624	6.7
85.06514	1.5
91.05444	21.3
93.07037	27.5
95.04975	4.9
95.08598	27.6
97.06499	1.5
97.10166	3.1
98.22717	2.4
99.08069	1.9
105.04449	1.4
105.06345	1.6
105.07030	26.7
107.08578	16.1
109.06515	2.1
109.10148	12.6
115.05447	1.7
117.07005	11.6
119.08567	21.3
121.10125	15.2
122.27243	1.0
123.11715	3.5
125.09636	1.7
128.06171	2.0
129.06982	7.5
130.07829	1.1
131.08545	18.0
133.10120	19.5
135.11685	8.0
137.09592	1.1
137.13310	1.5
137.97394	1.0
141.06999	2.2
142.07771	1.8
143.08548	11.1
144.09285	1.2
145.10117	17.4
147.11673	14.4
149.09636	1.7
149.13203	4.7
155.07466	1.0
155.08479	5.3
157.10115	9.2
159.11690	14.5
161.13271	10.7
163.14830	2.2
167.08594	1.6
168.05835	0.9
169.10147	3.5
171.11664	10.1
173.13239	10.2
173.58716	1.0
175.14809	5.6
179.14311	1.1
181.10117	2.2
183.11731	3.6
185.13249	8.6
187.14851	3.7
195.11703	1.2
197.13297	3.7
199.14815	5.7
201.16367	3.1
209.13344	1.6
211.14847	2.3
213.16429	3.2
215.17932	2.1
217.19354	1.1
219.17378	0.9
223.14833	1.4
227.18047	2.2
229.19508	1.4
231.17502	1.1
231.21117	1.8
237.16383	1.0
239.17964	2.8
241.19632	8.1
243.20969	1.5
257.18997	3.9
259.20523	18.2
261.22159	2.7
275.20135	1.2
297.21860	1.2
299.23715	1.2
311.23825	1.4
315.23254	3.0
317.24805	1.4
325.25256	1.1
333.24219	12.1
335.25769	18.9
337.27023	1.4
353.28537	1.4
356.07028	2.6
367.30032	1.1
410.94443	1.3
519.41998	6.6
537.43134	4.3
541.39020	1.6
593.45795	7.9
611.46649	100.0
612.46869	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	612.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	4.4
51.97610	4.5
53.03919	6.0
55.01869	12.5
55.05507	44.4
57.03439	21.6
65.03931	6.4
67.05499	89.5
69.03423	10.6
69.07066	30.7
70.91875	5.6
71.04993	10.5
79.05491	81.4
81.03416	76.1
81.07056	100.0
83.04971	24.3
83.08617	30.8
85.02915	33.0
91.05470	82.5
93.07040	61.4
95.04966	41.5
95.08607	39.8
97.02863	5.0
97.06521	13.8
97.10163	9.8
105.04480	3.9
105.07027	66.0
107.04940	15.0
107.08577	40.6
109.06508	13.0
109.10153	9.9
111.08067	15.9
113.06049	4.3
115.05431	4.9
117.07027	21.9
119.08564	51.6
121.10160	20.3
123.08021	7.4
123.11678	5.3
125.09640	4.2
125.52029	3.6
129.07010	18.7
131.08551	29.6
133.06503	7.1
133.10100	38.8
133.14522	3.6
135.07947	4.4
135.11700	15.3
137.09573	8.4
142.07733	6.9
143.08560	7.2
145.10086	20.0
147.11696	34.8
149.09567	25.8
149.13268	14.7
157.10101	24.2
159.11678	18.0
161.13229	7.6
163.11113	9.9
173.13312	4.6
175.11261	20.8
177.12811	4.2
193.12238	65.8
195.13757	8.2
211.13257	82.8
211.15091	5.5
227.12735	5.7
255.15843	13.3
257.18997	8.4
267.15906	26.2
269.17480	20.6
275.20041	26.1
285.16937	66.3
349.23840	31.3
385.82639	4.2
447.27509	8.6
456.62009	4.1
461.28824	17.7
465.28513	19.1
479.30060	70.8
517.74219	4.2
541.35596	4.3
559.36145	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	612.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
55.01866	7.7
55.05508	32.9
57.03437	19.4
57.07084	2.4
59.05000	2.9
65.03925	5.1
67.05499	84.7
69.03423	5.7
69.07062	30.1
71.01357	2.3
71.04987	9.7
77.03907	3.0
79.05486	79.3
81.02983	1.4
81.03411	62.9
81.07050	100.0
82.06518	2.0
83.04975	23.6
83.08612	27.8
83.30927	1.9
85.02892	20.2
85.06538	7.9
91.05457	73.2
93.07035	70.0
95.04955	42.1
95.08600	32.4
97.06527	18.2
97.10170	8.5
99.08105	3.8
105.04516	4.5
105.07021	55.6
107.04947	13.5
107.08594	35.6
109.06502	11.1
109.10142	16.2
111.04450	3.3
111.08099	12.0
115.05475	3.0
117.07019	14.0
119.08571	42.9
121.06496	3.1
121.10114	22.6
123.08085	6.6
123.11701	5.7
125.09668	3.5
129.06989	16.8
130.07758	2.0
131.08556	26.6
133.06494	3.7
133.10109	33.6
135.08041	6.0
135.11662	17.1
137.09625	5.4
142.07797	3.8
143.08565	5.2
145.10112	13.9
147.08058	2.4
147.11687	26.0
149.09613	16.0
149.13206	13.9
151.11275	2.5
157.10123	18.1
159.11717	13.6
161.13300	4.2
163.11169	11.2
165.12761	6.2
167.05537	2.7
173.09590	2.3
173.13226	6.5
175.11217	16.8
177.12706	5.2
179.14326	3.8
181.12248	4.2
183.11661	3.6
185.13133	3.1
193.12221	51.0
195.13792	9.4
197.13174	2.6
211.13266	69.5
227.12724	2.4
229.19470	2.2
239.17999	2.3
247.42055	2.4
249.14920	2.6
255.15891	17.4
256.26447	2.4
257.19052	6.1
267.15875	25.3
269.17429	32.7
275.20062	25.6
285.16946	49.2
328.07901	2.0
339.67105	2.0
349.23639	15.1
357.06870	5.9
367.24683	3.9
447.27515	4.1
461.28836	14.1
465.28488	18.9
479.29984	48.5
480.30350	3.2
559.36328	10.5
612.34790	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	612.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85184	2.6
51.93583	2.5
53.03928	5.4
53.44658	2.4
55.01860	8.0
55.05508	46.3
55.25376	2.8
57.03429	34.8
58.03816	2.7
61.73443	2.8
62.55098	2.9
65.03933	6.0
67.05499	91.5
69.03418	10.7
69.07063	33.8
70.04114	6.3
71.04987	11.8
79.05487	90.8
81.03411	81.0
81.07049	100.0
83.04972	25.2
83.08614	37.4
85.02894	31.6
85.06531	6.3
91.05450	99.7
93.07037	77.0
94.05457	2.5
95.04956	53.8
95.08597	45.1
96.92974	2.7
97.02859	4.6
97.06506	12.7
97.10159	6.8
99.08082	4.7
103.05460	3.9
103.85348	2.9
105.04495	4.3
105.07022	71.6
107.04955	18.1
107.08580	45.6
109.06515	10.1
109.10165	13.6
111.04398	4.4
111.08060	16.3
113.06044	3.1
115.05421	5.3
117.06992	28.0
118.07310	2.9
119.08577	50.2
121.06446	5.2
121.10146	27.4
123.08047	8.9
123.11674	8.3
125.05990	3.5
125.09594	3.7
128.06241	5.4
129.06993	22.7
131.08548	44.1
131.24011	2.9
133.06464	5.0
133.10107	43.7
134.06812	2.6
135.08054	3.5
135.11684	21.5
137.09566	3.7
139.11102	3.1
142.07811	4.8
143.08527	9.2
145.10120	23.4
147.08032	4.0
147.11655	30.7
149.09566	15.2
149.13245	11.6
151.11177	4.2
155.08528	3.6
157.10133	21.2
159.11658	19.2
161.13181	3.2
163.11151	10.7
165.12675	6.8
171.11682	5.3
173.13179	7.6
175.11168	20.3
177.12761	3.7
179.14395	2.7
181.12282	3.0
183.11604	3.5
185.13185	4.4
187.11209	2.9
193.12212	62.7
195.11824	2.7
195.13762	7.0
211.13258	84.9
227.12840	4.4
235.16942	5.9
239.17989	6.0
247.20494	3.4
249.14880	3.4
251.16707	3.0
255.15840	20.3
257.19019	19.2
267.15814	25.1
269.17471	29.9
275.19992	42.8
285.16907	50.3
291.19574	7.7
293.21124	3.8
295.40482	2.7
304.89478	2.8
331.22778	5.3
349.23758	15.9
357.06500	4.1
367.24594	6.2
447.27380	6.0
461.29163	16.9
465.28577	17.6
479.29965	31.8
482.94672	3.2
541.35004	5.2
559.35999	9.4
613.33051	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	612.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01867	9.6
55.05505	49.5
57.00064	2.2
57.03431	14.7
59.05024	2.8
65.03957	2.9
67.05501	45.3
69.03419	8.0
69.07071	16.1
71.04986	6.3
79.05482	53.7
81.03406	51.7
81.07047	39.6
83.04960	15.7
83.08610	36.3
85.02889	14.4
85.06515	4.3
91.05452	48.0
93.07029	31.0
95.04959	23.2
95.08589	13.9
97.02901	3.0
97.06520	7.5
97.10158	46.3
105.07017	41.2
106.00510	2.4
107.04954	10.8
107.08580	44.6
109.06493	6.7
109.10145	11.4
111.08079	9.5
111.49949	2.2
117.07034	7.4
119.08575	24.0
121.06512	3.2
121.10142	8.7
122.42284	3.1
125.09605	40.5
129.06979	15.4
131.08524	17.5
133.06554	2.8
133.10126	20.8
135.08025	6.0
135.11736	4.0
137.09601	2.5
142.07753	2.5
145.10088	11.3
147.11697	13.6
149.09647	7.6
151.11215	2.9
153.09062	2.9
157.10109	10.8
159.11691	6.5
161.13306	2.8
163.11116	4.7
167.05641	2.5
171.11670	2.9
173.13330	2.3
175.11214	11.9
189.11211	22.8
193.12222	40.2
208.99512	2.4
211.13271	63.8
215.40369	2.5
227.12744	100.0
228.13083	3.0
245.13770	2.4
257.18979	6.3
267.15860	16.5
275.20023	36.7
285.16891	36.8
293.21237	2.5
313.21436	2.5
329.17221	5.7
331.22675	4.5
333.16913	2.4
349.23672	29.1
355.06851	2.9
357.06641	3.3
366.02139	2.5
437.25427	9.0
455.26352	16.2
541.35114	12.0
559.36316	26.3
577.37579	3.1
612.30023	4.4
613.33484	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	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49741	3.1
55.01862	11.9
55.05254	4.2
55.05507	40.9
57.03427	20.2
57.07057	7.8
57.12533	3.6
65.03909	4.4
67.05502	75.3
69.07059	30.2
70.91885	5.2
71.04997	7.6
71.08611	5.1
71.21718	4.5
79.05487	86.3
81.03422	37.0
81.07049	85.7
83.01313	5.8
83.04980	28.2
83.08612	23.3
85.02898	12.3
85.06533	3.9
91.05454	70.1
93.07034	71.3
95.04970	37.7
95.08596	44.8
95.09805	4.1
95.71402	4.4
95.72056	3.4
97.06525	15.2
97.10160	5.4
99.08105	7.1
105.07026	50.1
107.04936	15.2
107.08601	34.7
109.06500	13.7
109.10136	9.2
111.08080	9.4
117.07009	15.9
119.08574	36.2
121.06481	6.3
121.10118	23.9
123.08090	9.2
125.09627	6.4
129.07013	12.6
131.08548	28.5
133.10103	36.0
133.42175	4.0
135.08018	6.2
135.11679	15.6
137.34450	3.4
137.83743	3.2
139.07544	4.3
145.10130	23.0
147.08017	5.0
147.11662	22.0
149.09599	6.2
149.13277	18.1
151.11163	10.1
157.10161	9.4
159.11671	12.5
161.13254	9.8
163.11151	21.2
167.05502	4.0
171.11671	4.1
173.13226	4.2
175.11166	8.0
175.14693	4.9
177.12691	5.4
193.12233	27.4
195.13771	6.0
211.13246	27.3
227.12762	8.6
241.19481	4.6
259.20511	11.3
267.15875	6.6
269.17514	9.6
275.20062	10.5
277.21573	11.0
283.15417	42.1
283.18338	5.5
285.16925	13.4
333.24258	11.6
349.23471	5.5
351.25201	12.9
371.01410	4.0
477.28427	100.0
478.28833	5.2
553.23651	5.0
559.35822	11.0
613.26294	18.4
613.35620	19.1
629.24115	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	612.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	29.3
57.03442	11.0
61.09179	7.0
67.05499	83.6
68.71941	6.5
69.07072	34.4
71.04968	35.1
79.05477	61.0
81.07053	100.0
82.07406	7.7
83.04949	8.3
83.08612	11.5
85.06547	9.2
91.05396	56.3
93.07039	67.8
95.04977	12.6
95.08572	36.2
97.06519	19.9
99.04433	7.1
105.07005	66.4
107.08571	32.2
109.10123	22.8
113.79020	10.1
117.07012	22.7
119.08578	43.3
121.10112	25.5
123.11716	10.9
129.06952	11.6
131.08546	28.6
133.10126	45.6
135.11694	14.4
140.73157	7.4
143.08623	12.2
145.10129	18.1
147.11708	22.6
150.35774	7.0
151.11197	11.3
157.10153	17.1
159.11731	14.2
161.13194	9.6
171.11752	9.9
173.13260	8.7
185.13280	11.8
199.14828	9.9
201.14861	8.6
227.20244	7.8
241.19540	11.8
259.20587	34.9
301.20151	40.3
315.23358	12.2
333.24167	30.7
357.06833	16.7
483.63034	8.5
501.35751	57.6
527.37103	39.1
559.40186	15.0
612.46008	10.1
613.36627	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	612.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	17.2
55.05503	36.7
57.03435	22.4
66.79449	11.4
67.05505	96.8
69.07056	18.6
69.22570	68.8
79.05489	48.1
81.03419	100.0
81.07060	60.5
83.04975	13.8
83.08638	19.6
91.05478	41.8
93.07033	70.2
95.04968	25.2
95.08591	52.2
105.07027	38.9
107.08593	31.9
109.06457	17.1
109.10169	26.3
114.33032	13.8
117.93575	11.7
119.08563	35.2
121.10135	31.5
126.47335	13.3
131.08604	36.2
133.10126	17.8
147.11720	15.2
149.13202	19.6
175.11223	15.9
193.12265	16.5
267.15857	81.7
315.83029	16.9
335.25766	69.7
472.21823	14.0
527.37054	43.0
545.38391	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	612.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34777	4.1
55.05511	30.9
57.03430	17.9
61.38533	4.7
61.38856	4.0
67.05500	76.7
69.07066	20.3
71.04989	5.9
79.05487	58.5
81.03413	100.0
81.07050	82.8
83.04967	4.5
83.08609	25.7
84.84287	5.0
91.05441	45.0
93.07045	56.7
95.04959	27.2
95.08600	55.0
97.10174	8.2
98.22787	4.2
105.07028	43.4
107.04977	4.8
107.08607	24.0
109.10160	18.4
111.08077	11.7
117.07001	12.2
119.08592	25.3
121.06499	6.9
121.10150	26.1
123.11686	8.3
129.06995	11.1
131.08549	23.7
133.10120	16.1
135.11729	14.1
139.02541	4.6
145.10127	22.8
147.11690	18.8
149.13254	9.5
156.00948	5.2
157.10161	10.8
159.11681	8.0
161.13213	5.5
173.13235	5.4
175.11163	6.0
187.14850	7.7
193.12190	21.9
227.12825	8.4
261.22098	11.9
267.15887	97.9
267.18744	6.3
335.25787	90.9
357.06622	6.3
435.32458	7.4
453.33469	5.6
471.34845	7.0
509.35413	5.2
527.37274	47.6
545.38037	17.3
576.21222	5.2
612.47296	23.9
630.40247	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	612.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.4
55.05511	20.5
57.03432	23.4
59.04976	3.0
67.05499	67.2
69.03423	4.8
69.07063	18.9
71.04974	3.0
71.08652	2.5
73.04790	2.7
76.96902	2.3
79.05482	52.0
81.03412	100.0
81.07051	65.3
83.04976	3.2
83.08626	22.9
85.06538	3.4
89.06065	2.5
91.05450	34.0
93.07034	49.3
95.04964	29.4
95.08600	50.1
97.06502	3.0
97.10173	8.5
98.22599	5.6
105.07017	29.6
107.04949	6.9
107.08575	29.9
107.09236	2.4
109.06510	2.8
109.10113	17.6
111.08057	4.5
117.07013	9.8
119.08583	25.6
121.10153	25.2
123.11710	7.7
125.09611	5.0
129.07014	6.8
131.08557	25.9
133.06491	4.0
133.10092	13.0
135.11664	14.2
137.09683	3.0
138.70547	2.6
142.07767	2.8
143.08516	2.8
145.10132	11.2
147.08096	4.9
147.11652	14.5
149.09605	6.6
149.13211	6.0
151.05066	2.5
151.11150	3.3
157.10117	14.0
159.11705	7.6
161.13281	8.3
163.11163	3.0
171.11592	3.1
173.13260	5.9
174.02631	2.3
175.11160	7.6
187.14784	3.8
193.12244	22.2
227.12740	4.3
231.14143	2.6
243.21153	4.3
261.22186	10.2
267.15897	64.0
301.25430	3.5
335.25781	63.3
336.26331	3.4
527.37500	29.4
528.37323	4.6
545.38354	14.4
612.46783	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	613.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.46310	1.8
64.41708	1.6
65.03941	4.6
68.99782	5.5
85.02908	6.6
91.05852	1.9
93.03398	2.4
95.04996	2.5
97.02879	2.6
107.04951	1.8
111.04452	3.6
119.04918	3.6
121.02855	100.0
123.04479	2.5
135.04399	3.6
135.82814	1.8
137.02370	3.7
137.05942	2.1
139.03893	3.4
147.04439	3.3
151.03908	4.1
153.01825	4.8
161.06021	3.1
163.03889	17.4
165.01857	4.0
173.05899	3.4
175.03838	3.1
177.01781	3.2
177.05383	2.9
181.04951	3.6
185.05945	2.6
187.03900	5.4
189.01828	2.2
189.05396	3.5
191.03407	3.2
195.02928	7.5
200.04706	1.9
201.05490	2.8
203.03322	3.3
205.05011	5.3
207.02878	8.0
213.05449	1.9
217.05005	7.2
219.02913	7.5
223.63216	2.5
225.03934	3.6
229.04968	3.2
231.02888	7.8
233.04497	3.0
241.05113	2.4
243.02974	5.4
243.06699	2.2
247.06009	4.8
249.03955	4.8
259.05957	6.4
261.03903	14.8
271.05994	5.9
273.03946	6.2
283.06058	3.5
285.03888	4.8
287.05545	3.9
291.04922	4.4
295.05978	5.7
297.03802	2.7
301.07126	5.1
303.05029	3.9
307.06192	4.1
313.06995	4.1
315.04871	2.3
325.07013	4.9
327.04855	4.1
337.06866	5.7
339.06964	6.5
349.07071	3.2
355.08252	4.7
356.07278	2.7
357.06427	3.2
363.07059	5.5
379.08163	5.3
393.08075	7.0
397.08804	2.2
405.07904	3.5
409.09079	6.7
419.46973	1.8
421.08911	4.1
423.08978	5.8
427.10245	5.1
433.08890	3.0
439.10135	3.2
441.10049	6.9
445.10394	3.8
451.11951	1.9
457.11365	12.4
463.09991	3.2
475.11951	4.8
481.10995	2.6
493.11554	2.6
499.12479	1.9
505.11331	2.7
511.12366	6.1
523.11877	3.9
541.13086	2.8
559.14148	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	613.2294
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
55.01856	0.6
63.46384	0.6
65.03922	2.5
67.05482	2.5
69.03427	0.6
69.07037	1.9
78.04704	3.3
79.05475	2.6
81.07024	2.9
82.04189	1.2
83.08596	0.6
85.02880	1.8
88.38932	0.5
90.14812	0.5
91.05451	4.9
93.03387	0.7
93.07040	1.7
95.04948	2.1
95.08588	2.3
97.06511	1.2
103.05429	1.2
105.07006	2.1
106.04158	1.6
106.07315	0.8
107.04940	2.3
107.08586	1.7
109.02918	0.5
109.10137	3.8
110.03687	1.4
110.10470	1.3
111.04343	1.0
115.05447	5.8
117.07018	9.5
119.04951	3.5
119.08556	1.4
121.06471	1.1
121.10139	1.7
122.03644	1.7
122.10405	0.6
123.04416	8.6
123.08075	1.0
124.05190	2.5
125.06013	1.1
127.05418	1.4
128.26105	0.6
131.04915	1.3
131.08537	1.2
133.06407	0.5
133.10121	0.6
137.05974	11.7
143.04874	1.3
145.06471	15.5
145.10135	0.7
147.04379	4.1
147.08011	1.4
151.03911	2.8
151.07503	1.0
152.04663	1.9
153.01759	0.7
153.05460	3.4
155.06024	7.1
157.10068	1.1
161.05975	1.5
161.13252	1.0
162.13542	0.7
167.07025	100.0
168.07367	1.8
169.10249	0.6
171.06517	2.5
173.05972	21.0
175.07521	0.9
177.05414	0.6
179.07042	1.3
179.14334	0.7
181.04941	31.4
182.05304	0.9
189.12764	0.7
191.07042	2.1
203.06982	0.8
205.08566	5.8
217.15919	1.0
218.16185	0.8
231.06577	0.9
233.08054	5.6
234.08743	0.6
235.09616	6.0
250.24254	0.6
264.07751	0.7
297.11212	0.6
310.08472	0.6
357.13275	4.2
358.24438	0.7
381.13467	0.6
385.12790	21.6
386.13162	1.1
387.14444	9.1
396.29819	1.9
413.30396	1.3
414.30728	5.3
415.31351	2.9
417.15387	12.3
431.31430	0.9
432.31696	3.0
433.32147	1.8
583.21521	3.4
613.22699	38.3
614.23004	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	613.2655
Annotation	Karajinone B
Peak:m/z	Relative Intensity
51.01942	1.3
52.43451	1.1
53.92547	1.1
64.50756	1.2
67.60250	1.1
69.24085	1.1
69.47648	5.8
81.58981	1.1
91.05820	1.5
96.92181	1.3
98.23476	2.4
109.06523	1.4
135.81316	1.1
145.80487	1.2
148.97772	1.1
302.23212	1.3
373.08524	1.4
381.16995	1.6
395.18658	2.5
396.19470	3.4
409.20639	1.6
411.21814	2.3
423.18146	4.3
424.18884	4.3
437.15979	2.7
439.21335	3.7
451.17798	5.4
465.19250	2.1
466.19962	2.9
467.20956	2.0
479.20651	2.0
493.22382	2.2
518.93781	1.3
525.25250	8.5
538.22058	2.8
553.24365	17.1
613.26459	100.0
614.26648	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	613.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.9
57.07064	2.7
67.05495	8.0
69.07074	3.0
69.07835	13.3
71.23626	1.9
72.22775	2.0
74.65152	1.8
79.05495	4.8
81.07037	6.0
89.06005	2.1
91.05408	3.2
93.07049	4.9
95.08606	6.3
105.06995	3.8
107.08597	2.3
109.10130	2.7
118.77698	1.8
119.08548	2.3
228.34785	1.9
317.21432	2.6
449.70746	2.1
472.11346	2.1
527.29810	2.4
613.35010	100.0
614.35101	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	613.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12167	0.7
51.28633	0.7
51.65582	0.6
55.01870	1.2
55.05508	2.9
57.03432	1.2
57.07087	1.0
67.05503	6.3
69.03413	1.1
69.07066	2.7
71.42144	0.9
79.05488	7.3
81.03419	2.5
81.07047	6.6
83.04972	1.4
83.08627	1.3
91.05436	5.0
93.07046	6.2
95.04974	2.7
95.08617	3.9
99.92216	0.7
105.07030	3.3
107.04929	1.2
107.08589	2.4
109.06478	0.9
109.10157	1.7
111.08080	1.1
117.07027	1.8
119.08575	2.9
121.10151	3.0
123.08105	1.0
131.08549	2.0
133.10147	1.9
135.11691	1.0
143.08543	1.5
145.10120	1.7
147.08119	0.9
147.11766	1.7
151.11246	0.7
159.11760	1.1
161.13261	1.1
171.11613	0.9
173.29514	0.7
211.13342	1.2
247.13123	2.2
283.15247	1.0
303.15750	3.0
333.20297	5.3
336.94229	0.9
389.23068	4.9
515.30402	0.9
525.25500	0.9
553.24530	3.6
613.37042	100.0
614.37482	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	613.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.3
57.03427	0.7
57.07069	0.4
67.05504	4.0
67.54975	0.3
69.07063	1.3
79.05494	3.9
81.03417	0.6
81.07056	3.9
83.04976	0.9
83.08618	0.7
85.06533	0.5
90.34646	0.2
91.05450	2.8
92.71889	0.3
93.07051	3.1
94.59576	0.2
95.04980	1.3
95.08598	1.9
95.32133	0.3
97.06533	0.6
97.10139	0.3
105.07018	2.1
107.04962	0.3
107.08598	1.2
109.10166	0.6
117.07043	0.8
119.08578	1.5
121.10168	0.9
123.08177	0.3
129.07010	0.6
131.08615	0.7
133.10143	1.0
135.11716	0.6
145.10135	0.8
147.11694	1.0
157.10072	0.4
159.08061	0.3
159.11688	0.3
165.09271	0.2
170.15242	0.3
171.11725	0.6
189.59053	0.3
215.83501	0.3
247.13014	1.8
303.15686	2.2
332.39777	0.3
333.20328	8.4
334.20950	0.3
389.22989	5.1
389.27597	0.4
515.30096	0.4
613.37073	100.0
614.37378	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	613.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05514	1.5
57.03429	0.5
57.07083	0.5
59.04995	0.5
67.05499	4.2
69.07059	2.1
69.66483	0.7
69.66867	0.8
79.05483	4.4
81.03423	1.4
81.07046	4.8
82.07396	0.4
83.04987	0.9
83.08630	1.1
85.06568	0.4
86.73907	0.3
89.40599	0.4
90.92810	0.3
91.05454	3.0
93.07034	4.4
95.04938	1.9
95.08603	1.9
97.06535	0.8
97.10167	0.7
99.08099	0.6
105.07031	2.9
107.04939	0.5
107.08575	2.4
109.06546	0.7
109.10184	1.1
111.08061	0.6
117.07033	0.7
119.08559	2.1
121.10145	1.0
123.08085	0.9
129.07005	0.7
131.08592	1.4
133.10173	1.5
135.11726	1.0
137.09586	0.4
143.08527	0.4
145.10164	1.1
147.11734	1.1
149.86766	0.4
157.10106	0.7
159.11716	0.6
163.11139	0.5
171.11816	0.8
179.14375	0.4
247.13008	1.9
252.13197	0.4
282.76767	0.4
303.15588	2.2
313.17834	0.9
331.18961	0.7
333.20346	7.1
333.24377	0.6
347.25897	0.9
360.40720	0.4
387.21616	0.5
389.22891	4.3
411.24512	0.4
458.50250	0.4
504.85144	0.4
515.29956	0.7
548.93170	0.4
595.32556	1.5
613.37079	100.0
614.37457	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	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.73901	1.6
55.05504	17.7
57.03434	6.0
57.07071	3.3
58.56140	1.6
65.03934	3.1
66.20110	1.4
67.05161	3.2
67.05502	52.8
69.07061	18.7
70.59830	3.3
71.21219	1.3
77.03922	2.0
79.05491	35.2
81.07056	52.0
83.04984	1.7
83.08611	10.0
85.06543	1.8
91.05475	30.5
93.07037	38.6
95.04952	3.3
95.08595	42.4
97.06535	3.1
97.10178	5.1
105.07024	26.0
107.08590	21.3
109.10148	22.2
117.07032	9.8
119.08567	21.9
121.10148	16.9
123.11710	10.1
129.07033	3.7
130.67738	1.4
131.08560	17.2
133.10132	16.9
135.11710	14.1
137.13264	3.8
143.08592	5.9
145.10129	18.7
147.11696	14.3
149.13229	7.2
157.10103	3.6
159.11690	15.5
161.13220	11.6
163.14815	4.5
167.08406	1.7
169.10135	2.3
171.11722	5.9
173.13223	9.5
175.14818	4.8
177.16322	2.4
183.11763	2.5
185.13226	3.4
187.14795	4.9
189.16449	4.0
191.17903	1.7
197.13190	2.7
199.14827	2.7
201.16373	4.1
203.17838	2.7
213.16336	3.2
215.17940	1.8
217.19481	2.2
241.19550	4.5
243.21141	3.8
259.20590	10.2
261.22116	16.4
273.22079	2.3
279.23080	1.5
313.25656	1.7
324.90909	1.8
333.24365	6.4
335.25833	19.8
337.27322	12.8
503.37152	2.5
521.43567	7.3
539.44446	5.8
595.47089	15.1
613.48199	100.0
614.48108	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	614.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.9
67.05517	0.9
69.03421	1.5
69.07069	3.8
73.02914	2.6
73.69602	0.8
79.05445	1.7
81.07050	3.8
82.67374	0.9
83.04968	1.0
85.02888	2.4
87.04447	1.9
91.05456	5.2
93.07019	1.3
94.04203	1.0
95.04959	1.7
97.02900	1.2
97.06519	2.6
99.08116	1.7
100.11182	0.8
103.05469	6.2
104.07092	2.9
105.07014	2.9
107.04948	1.0
107.08564	1.8
109.06491	2.1
111.04436	1.0
115.05428	1.5
117.06999	3.2
119.04918	3.6
121.06496	2.4
122.03642	1.9
123.08060	2.9
125.05980	0.9
125.09631	1.7
127.11143	0.8
128.06194	1.3
129.06999	1.3
131.04915	13.3
131.08568	1.7
133.06430	0.9
133.10094	1.0
134.07367	1.0
135.08037	2.3
137.05963	32.8
138.45520	0.8
143.08595	1.7
145.06454	1.8
145.10046	0.9
147.08008	0.9
149.05948	2.5
149.09645	1.1
151.07523	20.2
153.01808	2.3
157.06470	1.9
159.07974	0.9
161.05975	4.7
162.06734	2.3
163.07524	31.8
165.09074	1.1
165.12712	3.5
166.13077	1.1
167.08432	1.0
171.08000	1.5
173.09613	2.3
174.06752	1.0
174.10017	1.2
175.07536	5.1
177.09096	100.0
178.09430	2.1
187.11252	0.8
189.09116	9.5
195.08058	3.7
195.10036	1.7
203.10631	1.1
207.10112	1.0
211.09538	1.3
221.05943	1.6
221.09616	1.2
221.11674	16.3
223.07550	1.7
224.08211	0.8
225.09094	1.4
227.10619	3.9
237.09096	1.7
237.11200	7.5
249.11244	1.0
249.65196	0.8
253.08588	2.7
253.12222	1.9
255.10190	4.4
265.08459	1.0
267.10022	1.6
269.08386	1.0
272.10626	1.0
281.11630	1.8
285.11118	3.3
287.12741	7.9
298.12021	1.3
311.12686	1.5
313.14304	7.2
322.76572	1.2
330.14517	5.1
331.15427	10.6
342.14578	2.8
343.15378	1.3
371.22064	1.9
372.22479	3.2
405.19058	23.0
406.19720	0.9
410.27875	1.0
427.28329	1.4
428.28781	3.5
445.29553	2.3
446.29865	9.2
464.30756	1.8
503.26233	2.0
504.26648	2.6
578.33856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01862	4.7
55.05506	41.9
57.03433	21.5
57.07056	4.2
64.09189	2.9
65.03943	5.1
67.05499	87.1
69.03426	5.7
69.07064	23.8
71.04979	8.4
71.08622	15.1
79.05488	73.0
81.03410	63.7
81.06564	4.8
81.07047	98.6
83.04968	29.6
83.08615	32.8
85.02892	25.7
85.06558	3.8
91.05470	79.5
93.07034	68.8
95.04956	40.2
95.08595	41.4
97.06506	17.3
97.10163	10.0
99.08105	20.7
103.79942	3.0
105.04479	3.3
105.07020	51.2
107.04951	12.0
107.08578	30.3
109.06516	9.4
109.10149	9.1
111.08055	17.0
113.06010	4.6
117.07005	16.4
119.08556	36.8
121.10135	22.0
123.08069	6.1
123.11667	5.1
125.09635	6.4
129.07019	15.3
131.08559	26.6
133.06511	4.9
133.10120	27.6
135.11676	6.7
139.07460	3.0
140.62955	3.2
145.10077	8.2
147.08017	4.3
147.11678	26.5
149.05960	6.7
149.09668	4.7
149.13252	14.7
151.11180	16.9
151.62227	3.3
157.10088	20.4
159.11690	8.3
161.13258	8.1
163.11166	10.8
165.12755	7.0
175.11203	12.8
177.12802	4.8
179.14265	5.8
189.11298	3.7
192.29825	3.1
193.12221	58.3
195.13791	8.7
211.13263	74.4
227.12683	6.5
227.91142	3.5
234.71994	3.1
239.10620	3.3
242.02321	3.3
259.20575	4.6
267.15869	24.9
269.17416	21.9
277.21503	17.4
285.16977	53.3
323.61288	3.3
341.10126	3.5
351.25342	22.7
461.28735	21.1
479.30032	100.0
480.30246	5.9
543.36761	3.3
561.37683	12.4
614.35443	6.4
615.34491	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	614.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.0
57.03440	11.1
65.41045	5.9
67.05506	40.8
69.07064	15.3
69.16029	28.7
69.16449	12.4
79.05479	25.0
81.03399	42.7
81.07030	34.4
83.04968	7.7
83.08607	18.7
85.06516	7.6
89.06007	23.0
91.05452	19.0
93.07034	14.0
95.04957	16.4
95.08601	27.5
97.06512	6.4
97.10175	11.7
105.07011	13.4
107.08567	15.5
109.10162	8.0
112.61639	6.6
112.73102	6.0
119.08591	19.9
121.10149	12.2
129.06993	7.8
131.08559	9.7
133.08597	18.4
135.11682	8.2
143.08583	10.5
157.10066	7.8
161.09654	7.0
181.12202	9.0
193.12256	20.9
267.15881	100.0
268.12299	6.7
337.27335	91.2
352.23767	11.8
384.22964	7.3
400.26117	7.4
455.35339	6.6
529.38885	71.1
547.40009	32.1
592.36505	8.9
614.39093	13.2
629.97363	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	614.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04815	0.6
55.05511	4.6
57.07072	57.5
59.04999	1.4
62.72925	0.7
67.05495	4.7
69.07065	8.1
69.77501	0.7
71.08627	49.1
73.06558	6.5
76.65460	0.8
78.95475	0.8
79.05486	3.2
81.03401	0.9
81.07056	4.1
83.08621	4.2
85.10178	32.3
87.04468	7.6
89.06024	100.0
90.06316	0.8
91.05477	3.4
93.07047	4.3
95.04968	1.6
95.08607	3.3
97.10168	3.2
99.08089	0.7
99.11727	7.8
105.07020	3.1
107.07057	2.9
107.08631	1.7
109.06511	1.1
109.10130	1.2
111.11717	4.2
113.13271	7.4
117.09135	9.5
119.08591	2.1
121.10152	1.7
125.13234	3.5
127.14834	5.2
130.08638	1.7
131.07033	3.1
131.08533	1.6
133.08592	73.6
133.10181	2.2
135.10188	1.1
145.10138	1.0
151.11095	1.0
161.11749	2.4
163.11115	0.9
173.13129	0.8
175.09680	1.6
175.71718	0.8
177.11205	28.1
183.21127	1.4
195.12308	0.9
203.14139	0.6
221.13756	7.2
227.23698	1.3
228.53412	0.8
239.14902	2.9
265.16504	1.1
269.17590	1.0
271.26422	1.9
283.17505	3.1
294.69299	0.7
315.29071	4.4
327.20087	2.5
371.22876	2.2
384.12225	0.7
415.25165	6.6
452.03784	0.7
470.36743	0.7
597.45746	8.2
612.52728	0.8
614.37903	2.5
614.48511	3.4
615.38550	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	615.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78279	0.6
55.01656	0.7
55.01872	7.9
62.47633	0.7
62.60416	0.6
65.03938	9.8
67.05484	1.1
69.07038	0.6
69.17531	0.6
71.01341	0.7
77.03917	1.1
79.05489	2.7
81.07040	0.8
82.04192	1.8
85.02891	1.5
91.05479	7.6
93.03394	2.9
93.07040	1.6
95.01324	1.6
95.04951	3.9
97.06522	1.0
98.22564	1.2
98.23188	3.4
102.04687	0.8
103.05460	20.3
105.03389	1.6
105.07018	5.7
107.04933	4.9
108.02113	1.0
109.06499	1.6
110.03655	6.4
111.04454	6.3
115.05448	2.0
117.07041	1.5
118.04167	3.6
119.04933	4.9
121.02875	4.5
121.03735	0.8
121.06478	1.8
121.10138	0.7
122.03622	0.8
123.04404	2.0
125.05987	8.7
129.06979	1.0
130.04187	1.4
131.03958	1.1
131.04924	21.5
132.05692	1.3
133.02838	4.2
133.06508	5.0
135.04424	0.9
135.08018	1.4
137.05971	8.4
138.03123	1.1
140.04662	0.8
144.05682	0.7
145.06479	2.7
146.03647	1.3
147.04378	5.7
148.05185	11.4
149.02344	1.9
149.05998	3.3
151.03944	1.7
151.07538	2.2
153.01807	2.1
153.05466	15.4
154.05849	1.3
155.05934	0.8
157.06499	0.9
158.67931	0.7
159.08060	1.6
161.05968	6.3
161.09618	1.2
162.06747	1.7
163.02583	0.6
163.03883	1.3
163.07530	23.4
165.05511	3.2
165.06827	0.9
167.07036	10.2
167.08363	1.2
171.06583	0.8
173.05923	2.1
174.06750	0.8
175.07559	1.7
176.04703	2.0
177.05481	5.6
179.07018	1.9
181.04950	26.2
182.05328	0.9
187.07561	1.5
188.08337	0.9
189.05400	1.1
189.09058	1.0
191.07019	100.0
192.07567	2.2
193.04990	1.4
193.08617	2.0
195.08070	2.2
197.06068	1.4
197.09697	0.9
205.08563	2.3
206.07266	0.8
207.06433	1.5
207.08130	1.3
207.09956	0.7
208.07220	1.4
209.06108	1.4
209.08041	9.5
210.06706	2.4
211.07535	1.2
212.08185	1.0
217.08485	0.7
219.08157	0.8
219.10068	1.3
220.08800	0.8
221.05981	0.6
221.08002	12.7
221.09868	1.0
223.07462	1.4
223.11122	0.9
224.08023	0.7
225.07220	3.7
225.09386	1.2
227.07062	1.5
227.10629	1.2
231.07999	0.8
234.06839	1.1
235.07391	1.4
235.09576	1.2
236.08266	1.1
237.09062	1.1
238.06180	2.0
238.09839	2.4
239.06943	2.1
240.07762	5.0
241.08554	1.1
247.09576	0.8
249.08995	1.5
249.11380	0.8
251.07036	2.3
252.07843	2.1
253.08562	9.1
253.12221	3.5
254.09245	1.7
255.06703	0.9
255.10115	2.3
257.08173	0.9
265.08453	1.3
265.10950	0.8
266.09473	1.8
267.10168	2.0
268.07629	1.5
268.10651	0.8
269.08109	1.2
270.08994	1.3
271.09467	0.7
271.13361	0.7
277.08499	1.2
281.08069	2.2
281.11743	2.9
282.08813	1.5
283.06531	0.9
283.09573	5.5
284.10281	2.1
285.11151	2.3
295.09589	2.2
297.11172	1.4
298.08411	0.8
298.11780	1.4
299.12689	3.3
309.11163	4.6
310.11935	1.9
311.12781	1.1
313.10620	5.5
313.14398	2.4
326.11218	1.7
327.12216	19.4
328.12827	1.5
331.15289	1.6
339.12128	1.8
341.13632	2.7
343.15460	1.0
357.13284	1.2
358.13498	0.7
359.14856	63.0
360.15167	3.4
371.15054	4.1
372.15524	1.1
388.14807	1.0
389.15787	4.6
418.16071	4.2
419.16602	1.6
503.17035	1.4
531.25415	0.8
549.27045	0.9
615.24634	2.9
615.33954	2.1
616.44104	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
55.01864	5.9
65.03922	1.3
67.05502	0.7
69.03413	0.7
70.06571	0.7
77.03920	0.9
78.04710	0.7
78.29414	0.4
79.05483	2.4
81.03368	0.5
81.07033	1.0
82.04151	0.5
85.02905	1.0
89.03898	0.7
90.04704	0.4
91.05470	5.4
93.03333	0.4
93.07018	1.6
95.04967	1.9
95.08613	0.5
97.02887	0.5
97.06527	0.5
102.04693	0.8
103.05461	19.0
104.05721	0.4
105.03364	1.1
105.04499	0.7
105.07029	4.3
107.04939	3.0
107.08639	0.5
110.03651	0.5
111.04457	0.5
115.05441	2.5
116.47182	0.4
117.06965	1.1
118.04132	3.3
119.04935	5.1
120.05663	0.5
121.06465	0.9
121.10085	0.5
122.03606	0.5
122.09621	0.6
123.04396	1.4
125.05994	0.5
129.07007	0.5
130.04121	1.5
131.04915	18.5
131.08536	0.7
132.05637	1.3
133.02820	3.2
133.06476	5.2
133.10048	0.5
135.08040	1.6
137.05962	4.1
144.05725	0.6
145.06451	1.6
146.03601	1.4
146.07251	0.5
147.04405	5.6
148.05174	10.1
149.06015	2.8
151.03856	0.6
151.07480	0.8
153.01830	3.3
153.05402	0.9
159.07982	0.5
160.48627	0.4
161.05940	4.0
163.07524	20.5
165.05475	0.5
166.06264	0.5
167.07027	7.7
171.06563	1.0
173.05949	2.1
174.06729	0.6
175.07539	0.5
176.04701	1.8
176.08250	0.6
177.05463	4.9
179.07024	1.8
181.04939	9.9
187.07416	0.6
189.05423	1.0
190.06229	0.4
191.07008	100.0
192.07439	2.8
193.08583	1.8
205.08600	1.3
209.08061	7.5
219.10104	0.6
221.08081	13.3
221.10233	0.7
222.08270	0.4
225.07614	0.6
247.09811	0.5
249.11240	0.4
265.10791	0.8
359.14801	0.8
388.15036	0.8
418.16190	4.2
419.16940	1.0
420.15152	0.7
446.16684	0.6
529.25476	0.5
615.24603	3.6
615.33783	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	615.3499
Annotation	Lasonolide E
Peak:m/z	Relative Intensity
52.49564	0.6
55.01854	1.1
55.05505	2.0
55.62604	0.6
57.03437	1.2
67.05507	4.7
68.15953	0.5
69.03411	0.8
69.07066	3.4
69.72519	1.7
71.04990	0.7
79.05495	3.6
80.92947	0.5
81.03407	2.4
81.07046	5.4
83.04974	1.5
83.08604	1.9
85.02904	1.8
85.06538	0.6
91.05479	4.9
93.07037	5.3
95.04967	2.1
95.08603	3.2
97.06525	1.5
97.10161	0.7
98.00674	0.5
105.07012	4.8
107.07952	0.6
107.08573	3.5
107.56737	0.6
109.06532	2.1
109.10170	2.0
109.69970	0.6
111.08067	0.9
117.07021	0.9
119.08569	3.6
121.06470	0.7
121.10129	4.0
123.08081	1.5
125.06023	0.6
125.09674	1.2
127.86752	0.5
129.06995	1.1
131.08577	2.5
133.06502	0.5
133.10091	3.3
135.07990	1.2
135.11717	1.5
137.09567	0.9
139.83084	0.6
142.07831	0.6
143.08543	1.3
145.10124	2.4
147.08104	0.7
147.11700	1.5
149.09625	1.3
149.95149	0.6
151.07573	0.9
155.10599	0.7
156.09282	0.7
157.10146	2.1
159.07945	0.8
159.11713	1.8
161.09558	0.9
161.13263	0.8
163.11203	1.5
165.09120	1.3
167.10675	2.2
173.09682	0.9
173.13295	1.0
175.11189	0.7
181.10138	0.7
181.12248	1.4
183.11781	0.7
185.09633	0.7
203.14302	0.6
209.13316	0.7
221.15373	1.9
233.15350	1.4
251.12447	2.8
270.19998	0.5
301.28833	0.6
307.15146	2.8
313.17645	2.9
331.18753	6.0
369.20447	1.8
384.47122	0.6
387.21371	4.7
493.94260	0.7
517.27533	0.6
555.24750	1.3
597.24152	1.0
597.33795	12.5
598.34399	0.6
615.34912	100.0
616.35419	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	615.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
54.15620	0.3
55.01873	0.5
55.05500	2.4
57.03436	1.0
57.07065	0.5
67.05499	4.4
69.03425	0.5
69.07064	1.8
69.95164	0.9
70.40799	0.4
79.05499	3.1
81.03416	1.7
81.07052	3.5
83.04986	1.5
83.08618	1.4
85.02903	1.1
91.05489	3.3
93.07038	3.2
95.04962	2.1
95.08620	1.8
97.02875	0.3
97.06570	0.8
97.10181	1.1
105.03349	0.3
105.07058	2.3
107.04991	0.5
107.08586	1.7
109.06530	0.7
109.10161	1.1
111.08065	0.4
117.07011	0.6
119.08577	1.8
120.08957	0.3
121.06506	0.7
121.10136	1.8
123.08053	0.5
125.09647	0.7
129.07036	0.7
131.08572	1.6
133.10146	1.5
135.08066	0.7
135.11722	0.5
137.09621	0.4
142.07732	0.5
142.38020	0.3
143.08568	0.8
145.10126	1.1
147.08023	0.5
147.11674	0.7
147.97205	0.4
149.05960	0.6
149.09625	0.4
150.85794	0.3
151.07530	0.8
156.86302	0.3
157.10107	1.4
159.11737	0.5
161.09628	0.4
163.11261	0.8
167.10696	0.7
169.10081	0.5
171.11679	0.4
175.11150	0.4
183.11710	0.6
193.74834	0.4
195.11798	0.4
203.14272	0.4
211.13216	0.6
212.13586	0.4
221.15387	1.0
223.13165	0.7
233.15388	0.6
249.10966	1.0
251.12669	1.2
256.26447	0.4
259.95581	0.3
270.43201	0.3
271.94751	0.3
285.16956	0.4
295.91614	0.3
307.15247	1.3
331.18771	5.6
333.20386	1.3
366.88083	0.4
366.99622	0.3
387.21411	4.1
387.25931	0.4
389.23178	1.2
479.29953	0.4
480.30392	0.6
503.33881	0.4
615.34918	100.0
616.35223	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	615.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38680	0.5
53.03943	0.6
55.01863	1.9
55.05518	3.4
57.03431	1.5
57.07066	0.8
65.03928	0.5
67.00867	0.5
67.05503	5.1
69.03442	0.8
69.07065	2.3
69.72529	1.4
71.04993	1.1
71.08644	0.7
79.05498	5.7
81.03419	3.3
81.07052	6.7
82.03736	0.5
82.98996	0.5
83.04993	2.2
83.08623	2.9
85.02901	0.9
91.05473	5.0
93.07050	5.5
94.07908	0.5
95.04982	2.2
95.08626	3.2
97.06519	1.1
99.08069	0.8
105.07028	4.0
107.04936	1.0
107.08583	3.4
109.06514	0.9
109.10176	1.5
111.04417	0.5
111.08075	1.7
117.06997	1.0
119.08598	4.8
120.08957	0.7
121.06503	1.2
121.10146	3.4
123.08127	1.5
123.11727	1.3
129.06990	1.4
131.08595	1.9
133.10153	1.9
135.08061	0.5
135.11703	1.2
142.07716	0.6
143.08577	1.2
145.10121	2.3
147.08052	0.7
147.11678	1.6
149.09583	0.9
149.13275	0.8
151.07474	0.6
157.10155	1.1
161.13249	0.7
163.11177	2.1
165.09166	1.0
167.10686	1.6
169.10117	0.7
171.11668	1.0
175.11211	1.1
176.11542	0.5
181.10188	0.6
193.12277	1.9
194.12567	0.8
197.13390	0.6
209.13280	0.7
211.13347	1.9
212.13530	0.9
221.15350	1.1
233.15498	0.9
249.11005	0.6
277.21661	1.4
278.21896	1.5
285.17078	2.0
286.17151	1.1
296.23215	0.6
333.20355	9.1
339.04974	0.6
352.25742	1.2
369.26108	0.5
389.23004	6.3
480.30377	0.9
544.37164	1.2
562.38196	1.0
580.39233	1.4
597.38013	0.7
615.34906	100.0
616.35236	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	615.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01865	0.4
55.05505	2.6
57.03434	0.9
57.06815	0.6
57.07073	7.9
58.07398	1.4
59.04993	0.5
65.01689	0.4
67.05499	4.3
69.07068	2.6
69.18237	2.3
71.04981	0.6
71.08624	6.0
71.08989	0.5
72.08957	0.9
73.06547	0.6
76.18397	0.4
79.05496	4.0
81.03422	0.7
81.07048	4.2
83.04985	1.3
83.08614	1.5
85.06568	0.7
85.10178	3.3
87.04468	0.9
89.06025	12.6
90.06361	1.6
91.05476	4.5
93.07037	4.7
94.07304	0.4
95.04958	2.2
95.08614	2.7
97.06545	0.9
97.10160	0.6
99.11747	0.9
102.59330	0.4
103.70092	0.4
105.07018	3.3
105.07610	0.4
107.04968	0.6
107.08587	3.0
109.06528	0.8
109.10164	1.5
111.08054	0.6
111.11748	0.5
113.13236	0.7
117.07048	0.8
117.09103	0.8
119.08556	3.2
120.39423	0.4
121.10117	2.5
123.08070	0.7
125.09624	0.6
127.14827	0.4
128.06198	0.5
129.07019	0.8
130.07767	0.4
131.08575	1.1
133.08594	8.2
133.10106	2.4
134.08910	1.8
135.08102	0.7
135.11691	1.1
137.09642	0.7
139.11122	0.6
142.07809	0.4
143.08560	1.1
145.10144	1.4
147.11702	1.1
149.09647	0.8
151.07527	0.5
151.11102	0.4
157.10193	1.0
159.08086	0.5
159.11690	0.8
161.09706	0.5
161.13229	0.6
165.09106	0.8
167.10730	1.0
171.11743	1.3
172.55121	0.4
173.13246	0.7
176.22414	0.4
177.11235	2.1
178.11638	0.8
181.10071	0.4
181.12253	0.6
183.11755	0.5
189.12880	0.4
195.13829	0.4
197.13232	0.6
207.00711	0.4
221.15411	1.0
231.21393	0.4
233.15414	0.7
235.18152	0.4
239.94527	0.4
247.13109	1.5
303.15503	1.8
335.21902	9.9
391.24539	4.5
415.25626	0.4
416.25684	0.6
501.21637	0.4
502.05240	0.5
521.92712	0.4
598.46155	0.9
615.38647	100.0
616.38959	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	615.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01864	4.2
55.05504	16.1
57.03434	5.0
57.07064	6.0
59.04992	1.6
60.13352	1.8
61.02911	5.3
65.03943	2.9
67.05499	24.5
69.03416	16.8
69.07063	16.1
69.39214	6.9
71.04986	4.2
71.08633	1.9
73.02901	2.3
79.05488	22.8
81.03416	7.4
81.06563	2.0
81.07053	52.4
83.04975	26.3
83.08620	12.2
85.02901	32.1
91.05472	27.5
93.07040	57.3
94.67410	1.5
95.04974	16.1
95.08601	85.2
97.02884	14.0
97.06528	4.2
97.10162	3.6
99.04416	3.1
103.05409	2.2
105.04539	2.4
105.07025	67.7
105.07736	3.6
106.07369	2.2
107.08586	87.2
109.02872	5.4
109.06522	10.7
109.10147	55.1
111.08053	7.6
115.05480	2.2
116.06236	1.6
117.07028	11.8
119.08579	100.0
120.08144	1.5
121.06491	2.3
121.10138	69.0
123.08052	6.5
123.11697	20.7
125.09621	13.6
127.03912	5.6
128.06238	3.0
129.06975	4.9
130.07761	3.0
131.08566	38.8
133.10126	71.4
135.08018	3.8
135.11684	28.5
137.09584	8.1
137.13254	4.4
139.11218	2.3
141.07014	2.5
142.07750	2.6
143.08560	27.4
144.09322	4.0
145.01276	1.6
145.04971	4.4
145.08958	3.6
145.10115	74.7
147.11691	29.6
147.12854	2.4
149.09628	4.4
149.13248	17.4
149.99776	1.7
151.11183	9.5
153.09077	6.2
157.10123	13.7
158.10793	3.8
159.11690	57.3
160.12268	1.7
161.09634	2.3
161.13263	25.2
163.07500	2.4
163.11156	4.2
163.14792	15.8
165.12723	7.0
169.10112	4.4
170.10960	2.1
171.11699	12.6
172.12506	2.4
173.13252	35.9
174.13654	1.8
175.14816	28.3
177.09050	5.8
177.12666	3.4
177.16371	18.0
179.10709	2.2
182.10887	2.1
183.11690	5.5
185.13242	12.1
186.13977	2.0
187.14809	75.0
188.15205	3.5
189.12759	2.2
189.16370	59.8
191.14278	17.8
191.17921	20.7
192.54875	1.6
193.15848	5.2
195.11639	2.1
197.13297	6.9
198.13953	1.8
199.14777	14.7
201.16373	67.5
202.16817	2.4
203.17882	13.1
205.15833	9.2
205.19449	1.8
207.17447	5.9
209.13257	2.3
211.14787	4.9
213.16357	52.8
215.17937	66.4
216.18413	2.2
217.15935	11.8
217.19525	10.8
219.17427	41.4
223.14925	1.8
225.16451	4.4
227.17984	7.0
229.15910	4.5
229.19543	3.7
231.17456	4.3
233.15201	1.9
233.18933	13.5
235.16931	35.5
237.16502	2.7
239.17960	4.2
241.19579	10.4
243.21034	7.6
245.22614	3.7
247.16920	23.0
253.19516	4.4
255.21068	9.4
257.22522	4.3
261.18481	30.4
267.21091	21.1
269.22577	4.6
279.21011	2.5
281.22684	2.7
283.24329	2.7
293.22446	2.9
297.22205	1.9
301.21753	2.6
311.23825	4.1
315.22873	2.0
319.23819	2.3
330.02380	1.9
333.25952	2.8
337.25140	1.9
340.49655	1.8
351.26813	4.6
355.26083	2.2
369.13965	1.6
379.26193	1.8
389.31918	19.1
397.26944	1.9
407.33057	98.0
408.33423	3.6
409.34830	11.3
435.32535	19.2
436.22571	1.6
453.33533	17.9
475.26801	1.8
615.28186	3.6
615.30585	2.3
615.38385	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	616.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05511	1.8
57.03434	9.2
61.02919	12.8
67.05167	1.0
67.05497	13.2
69.03421	5.7
69.38761	0.8
70.05808	1.0
70.06577	1.0
71.41782	0.8
71.42239	0.9
73.02898	4.6
74.59783	0.9
75.04475	6.3
75.16361	1.1
81.03410	6.7
81.07049	7.5
85.02414	1.1
85.02903	21.4
91.03944	16.6
91.05457	1.7
93.05514	28.9
93.07033	3.3
95.04959	3.1
95.08593	5.1
97.02885	8.5
99.04436	2.8
107.04955	1.6
109.02863	7.0
109.06564	1.4
109.10143	42.4
119.08603	2.0
123.04409	3.3
124.04793	1.6
125.05994	1.3
127.03906	13.0
137.09602	100.0
138.09923	3.1
145.04944	10.5
151.03856	0.9
153.01793	4.7
155.10632	9.6
163.06007	29.3
165.09106	61.3
183.10139	6.8
191.44527	0.9
201.11195	14.8
209.08000	1.1
219.12212	1.2
243.12285	1.1
255.10660	6.5
265.14706	1.0
267.12329	1.7
291.12329	1.2
309.13272	13.3
327.14359	28.9
328.14536	1.2
345.15417	44.7
346.15656	2.0
422.77954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.077
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01595	0.5
51.02371	0.9
53.03932	0.3
54.28207	0.2
55.01865	0.3
60.99873	0.2
69.03424	1.2
71.42666	0.3
79.01846	6.6
81.03411	1.3
97.02895	1.4
99.04410	0.5
103.05486	0.2
107.01305	1.6
109.02845	1.5
111.04406	0.2
123.00783	0.2
123.03085	0.2
125.02341	3.4
127.03901	4.0
129.03325	0.2
131.04941	0.5
136.60455	0.2
143.03386	8.2
145.04945	0.6
147.04442	0.2
153.01811	100.0
153.02875	5.5
154.02159	1.3
159.04456	0.3
163.03854	0.4
171.02844	0.3
173.02336	0.2
175.03883	0.7
179.03383	0.3
185.02263	0.3
187.03842	1.4
191.03429	0.4
195.02916	0.2
201.01775	0.8
203.03392	0.5
205.04942	0.6
207.02934	0.3
212.11789	0.2
213.01852	0.9
215.03394	1.1
219.02911	0.4
229.01315	0.6
231.02855	4.4
233.04471	0.7
241.01262	0.5
247.02419	1.3
257.00748	1.0
259.02350	7.7
260.02536	0.2
261.03940	0.7
275.01834	2.4
276.02548	0.6
277.03394	20.4
278.03802	0.5
279.05011	0.4
285.00299	0.8
297.05981	0.4
303.01331	12.9
304.01767	0.5
321.02545	0.4
345.02417	0.4
363.03500	0.5
401.54053	0.2
429.04721	0.2
447.05588	0.2
473.09894	0.2
523.05695	0.2
617.07672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0771
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01587	0.4
51.02354	1.1
53.03941	1.3
55.01861	0.4
57.03426	0.5
68.56467	0.2
69.03423	5.2
71.04980	0.7
71.41693	0.2
71.42115	0.2
72.72498	0.2
76.67315	0.2
78.08039	0.2
79.01848	5.8
81.03408	9.2
85.02893	2.4
86.09685	0.3
97.02882	1.9
99.04447	1.8
99.44109	0.2
103.05459	0.3
107.01309	1.6
109.02864	5.8
122.15561	0.2
123.00786	0.2
125.02345	3.9
126.15502	0.2
127.03907	5.6
143.03381	8.1
145.04921	1.5
147.04469	0.4
153.01814	100.0
153.02888	5.9
154.02164	1.3
157.02875	0.3
159.04465	0.4
163.03941	0.3
171.02863	1.5
171.04265	0.4
173.02377	0.4
175.03865	0.7
178.99826	0.3
185.02385	0.3
187.03879	1.3
191.03346	0.5
195.02699	0.3
199.03911	0.4
201.01791	1.1
203.03343	0.7
213.01799	0.7
215.03386	1.2
219.02837	0.5
227.03397	0.4
229.01320	1.1
231.02846	3.8
233.04454	0.3
237.03821	0.3
241.01346	0.7
241.04906	0.2
243.02849	0.5
247.02382	1.6
255.02658	0.4
255.05009	1.0
257.00769	2.3
259.02371	5.8
261.04099	0.4
271.02383	0.5
273.03888	0.5
275.01831	3.1
276.02554	0.6
277.03403	13.9
278.03918	0.4
279.05042	0.5
281.03885	0.2
283.02359	0.4
285.00302	1.7
285.02982	0.2
289.03293	1.1
296.69003	0.2
297.06085	2.6
299.01807	2.1
301.00180	0.3
301.03394	0.9
303.01321	22.7
304.01666	0.9
305.02863	0.6
313.03482	0.6
315.01382	3.2
315.04700	0.4
321.02338	0.5
327.01349	1.7
328.99231	0.5
329.02881	0.2
331.00845	1.0
333.02512	0.2
337.03091	0.3
339.01294	0.3
339.05200	0.4
341.02835	0.8
345.02423	4.6
367.00607	0.4
369.02319	0.5
381.02271	0.5
383.04034	0.3
385.05597	0.6
387.03406	0.4
393.02374	0.5
411.03513	1.4
429.04114	0.2
447.05853	0.5
465.06537	0.8
515.68512	0.3
550.73627	0.2
617.07745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58704	1.4
55.05508	2.1
61.65177	1.5
67.05479	3.4
72.70988	1.6
79.05489	3.2
79.99875	1.5
81.03392	4.0
81.07045	3.0
85.02899	1.8
91.05460	3.1
93.07037	2.0
94.06595	1.8
95.08550	1.7
105.07027	2.6
107.07320	11.2
107.08559	1.4
117.06989	1.4
122.09657	68.9
124.11231	7.7
136.11160	2.8
138.75044	1.5
148.11150	2.0
150.09126	6.4
161.00119	1.7
164.07019	2.0
176.10709	2.5
177.83722	1.5
192.10220	1.9
194.08098	1.7
205.12219	2.1
211.08630	1.9
213.10213	2.7
222.11336	1.7
227.11908	1.5
241.09697	6.5
255.11304	8.6
269.09204	4.1
269.12930	2.1
271.10620	2.5
283.10791	10.6
291.13440	4.8
300.11572	1.5
310.09305	2.4
313.08356	2.6
313.11716	2.1
315.13403	2.1
317.14932	3.8
325.11652	7.1
328.10480	4.7
329.11328	2.7
343.12854	100.0
344.13321	7.5
345.14441	13.7
411.36960	1.5
416.16385	1.6
436.18701	4.2
466.17126	1.8
466.23483	9.2
468.17899	2.2
476.21521	2.8
494.22845	73.4
495.23184	3.8
557.27679	13.4
589.26093	3.7
599.24329	2.0
617.35095	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56322	0.8
51.75624	0.8
55.05510	1.6
55.43958	0.9
59.45192	1.0
64.70515	1.1
67.05489	1.6
69.03422	1.0
69.25805	1.6
69.26206	3.7
79.05480	2.8
81.03410	2.3
81.07047	2.5
83.08607	0.8
91.05460	2.4
93.07033	2.0
94.06586	1.2
95.04984	1.0
95.08616	1.2
105.07027	1.5
106.06546	1.6
107.07325	7.7
107.08589	1.8
109.10150	0.9
116.23692	0.9
117.06983	0.9
119.08567	1.5
122.09653	64.6
123.07909	0.8
124.11228	5.9
136.07562	1.2
136.11166	5.2
142.98357	0.9
148.11177	1.8
149.09665	0.8
150.09113	4.8
153.01787	1.6
164.10596	0.9
176.10651	4.9
192.10228	1.6
194.08156	1.1
196.09695	1.0
209.10413	1.0
212.09332	1.1
213.10182	1.2
222.11215	1.7
227.08182	1.1
227.11798	1.3
237.10223	0.9
241.09692	3.9
243.11118	1.0
250.10750	1.8
253.09700	1.7
254.10196	0.9
255.11281	8.5
256.12085	1.1
257.12915	1.1
269.09164	4.1
269.12729	1.1
271.10791	1.6
273.12326	1.5
282.10019	1.9
283.10760	10.2
285.12396	1.2
287.13791	2.0
289.11746	1.0
291.13406	4.2
297.12296	1.7
298.13278	1.0
299.10480	1.2
299.13699	1.3
303.13293	1.4
310.09467	2.2
313.08188	2.0
313.11688	1.7
315.13300	2.8
317.14886	2.4
325.11749	7.3
328.10461	5.2
329.11252	2.1
343.12839	100.0
344.13403	6.9
345.14355	15.5
379.12433	1.0
407.12424	1.5
418.17764	0.9
424.14758	2.6
425.15591	0.9
436.18527	3.5
454.79355	1.0
462.19696	1.5
466.16849	1.7
466.23254	12.5
468.17691	1.4
476.21707	2.9
494.22781	84.8
495.23184	4.5
557.27563	13.6
585.27625	1.2
589.26465	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	617.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.03433	0.6
57.07069	0.5
60.01253	0.4
67.05499	2.3
69.07060	1.3
69.58955	1.5
76.57290	0.4
79.05473	2.2
81.03419	1.4
81.07053	3.0
83.04992	0.5
83.08619	0.4
85.02892	0.7
91.05478	1.8
93.07034	2.4
95.04951	1.5
95.08604	0.9
97.06539	0.6
105.07012	2.3
107.08581	1.5
108.31770	0.4
109.06506	0.4
109.10175	0.8
117.06942	0.4
119.08595	1.3
121.10145	1.1
123.08096	0.4
131.08571	1.0
133.10109	1.0
143.08537	0.9
145.10121	0.7
147.11737	0.7
151.07507	0.6
157.10143	0.7
159.11696	0.5
181.12289	0.5
221.15262	0.5
222.84694	0.4
251.12543	1.8
269.87039	0.4
302.89728	0.4
307.15259	1.0
333.20343	5.0
333.23904	0.5
372.21298	0.4
382.56863	0.4
389.22934	6.3
419.26013	0.4
519.29285	1.5
617.36487	100.0
618.36768	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	617.3654
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
53.42842	0.4
55.05503	1.2
57.03420	0.7
67.05505	2.8
69.07062	0.9
72.21462	0.5
79.05483	2.4
81.03415	1.6
81.07038	2.9
83.04988	1.1
83.08605	1.1
85.02896	1.6
91.05469	3.1
93.07037	2.5
95.04957	1.1
95.08595	1.4
98.23483	1.4
105.07024	2.2
107.08598	1.6
109.06460	0.5
109.10180	0.7
109.50957	0.5
109.92057	0.4
111.08089	0.4
119.04941	1.4
119.08546	2.2
121.10152	1.3
129.07014	0.7
131.08546	0.6
133.10132	0.8
135.08052	0.5
145.10127	1.7
147.04391	3.5
147.11693	0.8
153.21078	0.4
157.10118	0.8
159.11716	0.9
165.09018	0.4
167.10635	0.5
173.13246	0.6
181.96121	0.5
183.01830	0.5
193.12198	0.5
221.15509	0.8
231.02330	0.5
251.12552	1.3
307.15149	1.7
333.20300	10.3
389.23102	3.3
453.33710	0.5
530.07697	0.5
617.36499	100.0
618.36914	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	617.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18921	0.3
54.49362	0.3
55.05510	1.3
57.03432	0.9
62.34293	0.3
67.05495	2.8
68.79295	0.3
69.07064	1.1
71.04993	0.7
79.05499	2.5
81.03410	1.7
81.07050	3.1
83.04984	0.9
83.08614	1.1
85.02898	1.5
91.05471	2.3
93.07039	2.2
95.04961	1.1
95.08595	1.8
97.06540	0.4
99.76131	0.3
100.67817	0.3
101.59352	0.4
104.10750	0.3
105.07019	2.5
107.04913	0.4
107.08611	1.2
109.06564	0.5
109.10168	0.9
111.04411	0.5
111.08099	0.7
117.07015	0.6
119.08579	1.5
121.06435	0.4
121.10120	1.8
123.08046	0.5
129.07028	0.7
131.08582	0.8
133.10112	1.6
143.08530	0.6
145.10117	0.8
147.08070	0.4
147.11719	0.8
149.09695	0.5
151.07500	0.4
157.10109	1.1
159.11691	0.5
159.91516	0.3
163.11212	0.6
165.09177	0.4
167.10718	0.6
169.10089	0.4
175.11113	0.6
184.12537	0.4
216.28600	0.3
221.15398	1.3
233.15193	0.4
251.12552	1.9
283.01953	0.6
307.15088	2.0
314.61313	0.4
333.20267	7.8
389.22888	4.9
390.23108	0.5
484.64017	0.4
617.36481	100.0
618.36810	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	617.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
57.03427	0.9
64.67337	0.4
67.05502	3.0
69.03410	0.7
69.07052	1.5
69.78456	0.5
71.04968	0.6
75.33578	0.4
79.05492	3.0
81.03408	1.0
81.07053	4.1
83.04965	1.3
83.08617	0.9
83.22357	0.4
85.02894	0.4
85.06533	0.5
88.21014	0.4
91.05482	3.6
91.71779	0.4
93.07043	3.1
95.04954	1.6
95.08612	1.7
97.10133	0.7
98.23481	1.4
98.82501	0.4
101.21619	0.4
105.07016	3.6
107.08598	2.6
109.06484	0.7
109.10178	1.2
111.08057	0.5
117.07006	1.1
119.04915	1.7
119.08595	2.8
121.06535	0.7
121.10124	2.3
123.08057	1.0
123.11736	0.7
125.09655	0.6
131.08562	1.6
133.10143	1.8
135.08060	0.5
135.11694	0.8
143.08568	1.1
145.10132	2.0
147.04405	5.8
147.08035	0.7
147.11696	1.2
149.09608	0.8
151.07492	0.7
155.08578	0.6
157.10143	1.2
159.11707	1.5
161.09630	0.5
163.11188	0.6
165.09103	0.6
167.10710	0.5
169.10120	0.5
171.11671	0.6
173.13208	0.9
175.11230	0.5
181.10081	0.4
181.12051	0.5
185.13234	0.5
187.14952	0.4
190.87514	0.5
195.11758	0.4
202.89412	0.4
215.14311	0.6
221.15321	0.5
233.15300	0.5
251.12549	1.8
260.07010	0.4
268.71906	0.4
307.15198	1.2
315.19272	1.2
333.20346	6.8
334.20847	0.7
389.23004	4.8
390.86160	0.5
487.50977	0.5
617.36475	100.0
618.36719	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	45.7
57.07060	10.3
67.05493	30.4
67.87988	7.3
69.03420	15.4
69.07058	21.3
69.72472	16.5
69.90945	6.3
71.04990	10.7
74.46591	5.2
76.16985	5.6
79.05488	30.2
81.07050	56.2
83.04972	21.6
83.08604	69.6
85.06552	8.7
87.04462	7.9
90.58082	6.4
91.05463	66.8
93.07029	69.7
95.04963	31.8
95.08583	33.9
97.06516	21.8
103.05417	6.4
105.07016	100.0
107.04975	9.6
107.08582	76.8
109.06525	18.6
109.10154	23.0
113.09619	14.6
115.05415	10.1
117.07010	27.5
119.08564	88.1
121.06501	20.8
121.10130	60.1
123.08057	28.7
123.11756	6.3
125.09611	19.8
128.06239	14.0
129.07014	29.3
130.07776	9.9
131.08568	52.8
133.10107	54.3
135.08066	17.0
135.11682	12.9
137.09648	8.6
139.11166	15.1
142.07773	26.5
143.08559	51.4
144.09322	12.3
145.10112	83.2
147.08047	9.7
147.11703	26.3
149.09569	12.4
151.11208	7.9
155.08528	22.8
155.10672	16.3
156.09346	20.2
157.10098	69.3
158.10872	8.5
159.08083	12.3
159.11667	40.5
160.08858	20.2
161.09618	16.3
162.13100	7.1
163.11163	7.7
164.92088	7.3
165.07021	11.4
165.12700	8.1
167.08589	14.3
167.10651	13.6
169.10071	34.4
170.10858	10.3
171.11629	45.5
172.09038	7.3
173.09607	12.7
173.13284	18.8
175.11211	14.1
179.08636	11.6
179.14326	11.5
181.10153	28.4
181.12173	31.4
182.10881	16.3
183.11681	25.4
185.13286	23.5
187.14729	9.7
189.12640	10.1
191.14233	15.3
193.10132	19.4
194.10817	10.1
195.11696	24.3
196.12383	7.8
197.13280	46.3
199.14861	15.8
203.14264	7.5
206.10872	7.4
207.11790	14.7
207.13861	7.2
208.12506	8.7
209.13260	28.4
211.14793	20.0
213.12746	15.3
215.14308	22.3
218.16708	8.2
219.11862	7.0
221.13190	18.2
221.15355	21.5
222.13864	6.6
223.14751	16.7
225.14798	17.0
231.11678	8.9
233.13260	14.7
233.15266	50.9
235.14789	12.9
237.16493	11.3
247.14708	9.4
249.16335	9.3
253.15729	10.6
255.17438	35.0
261.79147	6.6
269.19006	9.3
270.19846	9.5
275.17874	8.5
281.19366	8.8
349.25232	9.2
376.34683	7.1
383.25980	14.5
618.43439	10.1
619.38232	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01865	3.8
55.05251	2.4
55.05507	31.6
57.03429	1.9
57.07060	4.4
59.04987	1.2
65.03949	2.6
65.54622	1.3
67.05495	21.4
69.03415	7.6
69.07059	14.5
71.04998	4.6
79.05482	27.3
80.06253	2.1
81.03408	2.9
81.07049	34.6
82.30810	1.3
83.04969	14.5
83.08614	45.8
85.02882	1.7
85.06539	6.6
87.04466	1.4
91.05476	32.5
93.07037	40.9
94.07359	1.5
95.04959	26.6
95.08598	24.6
97.06533	16.2
97.10152	2.1
99.04457	3.0
99.08085	1.9
101.21973	1.7
103.05474	2.8
104.10745	5.7
105.04534	2.6
105.07021	65.4
107.04932	4.4
107.08583	45.9
108.05788	1.4
109.06506	11.5
109.10146	17.0
110.90758	1.4
111.08067	5.4
113.09656	7.6
115.05453	4.8
117.07001	15.9
119.06121	2.2
119.08571	55.1
120.09355	2.5
121.06503	7.3
121.10128	37.9
121.65538	1.1
123.08056	15.8
123.11700	5.2
125.09619	17.4
126.10438	1.8
128.06221	10.1
129.06979	13.1
130.07788	5.8
131.08553	33.6
132.09373	3.2
133.06505	3.6
133.10114	29.1
134.11011	2.5
135.08032	10.6
135.11729	8.8
137.09610	5.0
139.11134	11.6
140.16127	1.5
141.06964	6.7
142.07776	16.2
143.08557	36.2
144.09358	7.4
145.06471	5.6
145.10107	48.7
147.08040	10.1
147.11691	13.5
149.09610	9.5
149.13219	2.4
151.07541	2.9
152.06230	1.5
153.06972	1.8
153.09129	1.7
154.07800	3.7
155.06007	1.4
155.08568	16.2
155.10582	7.9
156.09293	11.7
157.10121	45.2
158.10892	6.6
159.08069	9.2
159.11661	24.7
160.08832	8.4
161.09560	9.9
161.13234	4.2
162.14961	1.5
163.11159	4.7
165.07021	4.3
165.09169	2.0
165.12715	1.6
166.07751	2.4
167.08545	5.9
167.10652	16.7
167.52260	1.4
168.09360	5.0
169.10100	20.9
170.10936	7.8
170.12267	1.4
171.08055	1.7
171.10274	2.6
171.11655	24.4
172.08855	1.6
172.12494	2.6
173.09563	7.5
173.13203	11.0
175.11198	8.8
175.14828	3.1
177.12762	1.7
178.07726	2.0
179.08481	6.7
179.14311	5.0
180.09315	4.4
181.10103	12.3
181.12215	19.3
182.10893	11.7
183.11673	20.2
183.13451	1.9
184.12459	4.9
185.09612	3.3
185.13235	16.0
185.14760	2.2
186.13989	2.1
187.11197	6.8
187.14804	5.8
189.12714	4.1
190.13510	2.3
191.14293	6.6
192.09309	3.9
193.10159	13.0
193.11966	1.9
194.10918	6.8
195.11703	18.6
195.13583	2.7
196.12459	6.4
197.09686	2.2
197.13243	29.3
198.13974	2.6
199.11130	4.0
199.14784	9.5
200.15672	1.9
201.12749	3.1
201.16342	3.1
203.14325	4.7
206.10942	3.6
207.11685	11.5
207.13811	3.8
208.12447	5.7
208.14493	3.4
209.13306	19.9
209.15233	2.8
210.14082	2.7
211.11189	3.4
211.14766	11.8
212.15622	1.9
213.12724	5.0
213.16397	4.1
215.14302	17.5
217.10176	2.2
217.15848	3.8
218.16632	2.7
219.11728	4.9
220.12447	3.3
221.13225	10.8
221.15379	15.4
222.14001	2.4
223.14784	13.5
224.15536	2.2
225.12717	4.2
225.14799	6.6
225.16418	5.1
227.14308	4.1
227.17917	1.8
229.15892	2.9
231.11649	3.2
231.17352	2.0
232.12552	2.8
233.13200	5.8
233.15364	29.9
234.13925	3.2
234.16014	2.9
235.14810	8.3
236.15567	2.7
237.16452	8.7
238.13371	1.8
239.14276	2.3
241.15858	3.7
243.17488	1.5
245.13148	3.5
246.13943	2.7
246.16145	2.5
247.14656	6.9
247.16980	3.8
249.16357	7.2
250.17189	1.5
251.17969	3.6
253.15851	1.7
255.17430	27.2
257.13260	2.2
257.19061	2.7
258.14011	2.4
259.14651	2.4
259.17160	2.2
261.16382	4.9
263.10617	1.5
263.17923	6.7
264.18729	1.6
265.19522	6.2
266.20395	1.7
267.17532	3.4
268.18143	3.4
269.18948	3.0
270.19727	5.3
271.14688	2.0
271.20566	3.2
273.16147	2.4
273.18597	4.2
275.17999	4.2
277.19510	3.1
281.19009	5.3
282.19724	4.4
283.20529	3.3
285.18521	3.1
286.19266	3.9
287.17535	1.9
287.20200	2.2
289.19513	3.1
293.18991	2.1
295.20459	2.8
297.21835	1.6
299.19995	5.1
300.20737	2.7
301.19226	1.9
307.20389	3.1
308.21066	2.0
315.21127	1.6
323.23495	1.9
329.22421	2.0
331.23874	2.4
335.21616	8.0
337.21527	1.8
337.25443	4.1
347.23514	3.6
349.25128	3.0
360.24127	1.8
365.24695	6.1
367.26294	2.3
373.25165	2.2
383.25797	7.7
391.24460	5.3
399.26746	2.4
457.31094	2.1
475.83267	1.5
618.36072	28.0
619.38055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02366	0.9
53.00294	0.1
53.03945	0.2
55.01863	0.2
56.31048	0.1
65.08712	0.1
69.03416	0.2
69.31640	0.2
69.32047	0.5
69.35965	0.1
79.01846	6.1
81.03413	1.9
82.73822	0.1
97.02888	1.3
107.01320	1.1
109.02859	0.7
123.00784	0.3
125.02348	3.3
127.03907	6.4
127.14622	0.1
137.04015	0.1
143.03386	7.8
144.03697	0.1
153.01817	100.0
153.02879	5.7
154.02119	1.3
163.03938	0.2
186.89853	0.1
190.06462	0.1
191.03369	0.4
198.39720	0.1
213.03929	2.0
219.02878	0.1
233.04419	0.2
237.03929	1.1
261.03943	0.4
279.04965	1.7
297.06073	0.2
305.03006	0.2
318.27124	0.1
449.07117	1.0
492.31839	0.1
516.57092	0.1
571.01910	0.1
619.08710	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	619.2146
Annotation	Kadsuphilol F
Peak:m/z	Relative Intensity
57.03159	1.8
69.53316	7.9
129.47577	1.7
166.61798	2.0
189.05304	6.3
201.05164	2.3
215.06859	2.1
298.60828	1.8
309.28049	2.2
347.89084	2.0
351.19983	1.8
395.10931	4.1
409.12814	4.0
410.13422	17.9
411.14120	6.8
573.17432	5.2
588.19507	20.7
589.20386	100.0
590.20703	6.8
619.21417	96.3
620.21887	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	619.2148
Annotation	Kadsuphilol F
Peak:m/z	Relative Intensity
69.91608	2.6
91.05423	0.9
95.04918	0.7
98.23008	2.1
107.07296	1.4
108.08044	0.8
122.09649	12.8
124.11233	1.3
136.07576	1.1
151.48170	0.8
153.01845	5.3
164.07112	2.3
189.05164	0.9
203.08171	1.1
204.10182	2.1
217.09705	1.8
235.10768	9.6
257.09302	0.9
259.10809	1.2
261.08640	6.8
263.10306	1.3
285.08777	1.3
298.62915	0.8
301.24725	0.8
303.41830	0.8
305.11374	3.2
313.08441	1.2
361.38281	0.7
363.08261	1.0
378.10648	1.1
390.18314	0.9
393.09430	3.7
398.17236	3.2
408.11749	8.2
409.12497	2.2
428.21799	1.7
438.20288	2.8
456.21243	3.2
464.18146	3.3
468.17908	1.3
589.20398	1.4
591.27673	1.0
601.25989	3.9
619.21375	100.0
620.21777	4.8
649.05927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
55.01865	0.5
62.41115	0.4
65.03960	0.4
66.33782	0.4
67.05491	0.7
69.29729	1.8
71.02481	0.6
79.01843	1.5
79.05479	1.3
80.05005	0.5
81.03402	0.9
81.05775	0.5
81.07047	0.6
82.28099	0.4
83.08668	0.4
91.05495	0.9
93.07024	0.6
94.06553	2.1
95.04980	0.5
97.02856	0.6
98.06075	0.5
98.23427	0.8
105.07030	0.9
106.06548	3.5
107.01328	0.5
107.07329	15.9
107.08504	0.8
107.98626	0.3
108.08132	1.0
109.02874	0.8
119.04916	0.5
120.08045	0.5
121.08889	0.5
121.10101	0.4
122.06047	3.3
122.09657	100.0
123.10006	1.6
124.11228	1.6
125.02345	0.9
135.06795	1.0
136.07565	5.3
140.07074	1.2
140.91528	0.4
143.03380	2.0
148.07664	0.4
148.11194	1.9
149.07092	0.5
149.12021	0.5
150.09131	14.6
153.01817	26.1
153.02901	1.7
154.02211	0.8
160.07607	0.6
162.05513	0.4
164.07062	7.7
167.10703	0.5
174.09088	0.8
176.10704	2.9
177.06602	2.5
178.08617	0.4
181.09717	5.4
182.08177	0.4
188.07082	1.3
191.08145	4.6
200.13066	0.4
201.06635	0.9
201.10361	0.4
202.07246	1.5
202.08879	3.5
203.08170	1.5
204.06540	0.5
204.10158	3.5
205.09825	0.7
213.10240	0.7
217.09723	2.4
219.11331	0.8
220.09671	0.6
229.09782	0.4
230.08105	2.7
230.10072	0.4
233.09239	0.8
235.10728	1.0
241.13370	0.6
245.09183	1.8
248.09216	2.9
257.09198	0.7
259.10712	1.0
259.14432	4.8
261.08698	20.5
263.10324	1.5
265.11655	0.6
272.09219	2.4
279.13266	0.4
285.08859	0.5
285.12369	0.5
287.10159	2.8
289.11780	0.8
290.10187	0.6
301.11655	0.7
302.13123	0.7
305.08032	0.6
305.11334	1.8
307.12753	3.4
313.08197	1.0
321.14453	0.5
333.10745	0.7
340.12637	0.8
361.14212	0.9
365.17215	0.5
380.15399	0.5
380.19766	0.9
382.21234	3.4
390.18451	1.9
398.17090	7.0
410.20792	0.5
418.17664	1.7
426.20074	2.2
428.21759	2.1
434.17014	0.5
436.18732	2.2
438.20288	2.1
452.18118	1.6
454.19666	2.3
456.21045	4.6
464.18088	5.9
470.19202	7.2
482.19281	1.3
527.26410	1.1
555.25659	1.9
573.26941	2.6
583.25421	0.6
589.26453	0.9
591.28174	2.9
601.26483	6.6
602.26263	0.6
619.27606	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	619.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37388	0.3
54.44064	0.3
54.59525	0.3
55.01859	0.5
67.05486	0.7
70.04091	0.4
71.02473	0.8
75.00842	0.3
77.99657	0.3
79.05474	0.6
80.04980	0.5
81.07055	0.8
87.60503	0.3
91.05463	0.8
91.65956	0.3
93.07020	0.4
94.06567	2.1
96.08114	0.4
98.06017	0.5
105.07018	1.1
106.06544	2.7
107.07331	15.7
108.08124	0.8
119.04943	0.6
120.08088	0.4
121.06467	0.3
121.08849	0.3
122.06046	3.9
122.09657	100.0
123.10005	1.1
124.07517	0.3
124.11239	1.4
135.06805	0.9
136.07564	5.7
138.09077	0.3
140.07037	0.9
143.72969	0.3
148.11203	1.3
149.07089	0.5
150.09129	14.9
153.01772	1.9
160.07475	0.6
162.05522	0.4
164.07065	6.8
174.09129	0.6
176.10645	1.8
177.06555	2.4
177.09975	0.3
178.05025	0.4
181.09705	6.0
188.07077	1.3
191.08130	5.6
201.10248	0.4
202.07018	0.4
202.08656	4.2
203.08154	1.7
204.06566	0.8
204.10266	1.3
205.09758	0.7
206.08041	0.4
217.09688	2.2
217.95416	0.3
219.11314	0.5
220.09618	0.6
230.08153	2.5
233.09195	0.4
235.10687	1.8
243.11259	0.6
244.09647	0.8
245.09204	1.3
247.10889	0.3
248.09181	2.1
257.09207	0.4
259.10779	0.9
261.08713	6.9
261.11780	0.4
263.10132	1.7
265.11801	0.5
272.09225	1.6
273.08630	0.4
277.11993	0.3
279.13370	0.3
287.10236	2.1
289.11884	1.1
290.10217	0.6
299.13870	0.6
305.08279	0.3
305.11157	1.6
307.12845	3.9
313.08072	0.4
327.13269	0.6
333.10733	1.0
340.12891	0.7
352.16336	0.4
361.14020	0.3
390.17926	0.9
398.17068	4.2
410.20676	0.8
418.17767	0.7
424.18625	0.4
425.16672	0.4
428.21906	2.4
436.18524	1.1
438.20212	2.7
452.18307	0.4
454.19772	2.0
456.21124	3.0
464.18134	2.9
468.17758	0.6
470.12726	0.6
470.19211	8.7
482.19336	1.4
527.26434	1.3
555.25964	1.5
573.26917	2.7
583.25586	0.3
591.28070	3.6
601.26422	3.9
619.27448	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49030	0.9
70.49367	1.0
71.47295	0.6
81.20470	0.6
84.69927	0.5
87.04484	0.6
98.23357	0.7
117.73270	0.6
122.05979	0.9
153.01825	3.8
197.10773	0.6
199.12178	1.1
208.31549	0.5
225.10210	6.3
226.11002	7.5
241.13309	6.4
245.09201	0.7
259.14389	0.9
263.10614	0.9
267.11310	0.7
269.09033	1.5
270.09915	1.2
284.11536	4.6
285.12299	100.0
286.12616	2.4
304.14307	0.8
310.11780	1.3
318.12479	1.0
319.16748	2.3
322.11832	1.6
332.13995	0.8
334.19177	0.9
336.13449	2.2
346.15482	1.9
347.16232	1.4
348.13391	1.0
350.14926	1.1
362.11237	2.8
362.15036	1.2
362.18674	0.8
362.37442	0.6
364.16449	1.3
376.12903	4.9
377.13828	2.1
378.13806	1.1
378.18106	8.0
380.19647	1.5
382.21432	0.7
390.14053	3.6
391.15375	5.2
392.15891	0.8
406.17566	56.4
407.18256	2.8
408.19128	39.8
409.19305	1.5
426.20169	1.1
436.18692	1.9
445.96100	0.8
451.17303	2.7
452.18097	54.3
453.18396	2.4
482.19153	56.0
483.19644	3.3
588.65442	0.6
589.26514	18.5
590.26563	1.4
619.27527	95.4
620.27637	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	619.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79831	0.9
69.28070	3.4
69.28481	1.1
79.05492	1.1
82.19978	0.8
94.06572	2.0
95.04955	0.9
106.06551	2.2
107.07323	13.8
107.08553	1.5
108.08111	1.6
122.06029	2.6
122.09657	85.8
124.11227	3.9
134.09616	1.1
135.06825	1.2
136.07584	4.5
142.88766	1.0
148.11205	5.3
150.09122	13.7
152.10785	0.9
153.01836	3.4
164.07042	8.2
176.10742	3.5
177.06584	2.1
181.09724	5.4
183.09270	1.0
186.09192	1.0
191.08199	4.8
201.06580	1.3
202.07198	8.8
202.08995	1.9
203.08308	0.9
204.10185	17.7
206.08147	2.2
212.09390	1.0
213.10213	2.1
215.08118	1.2
217.09695	10.7
217.61665	0.9
230.08159	2.3
233.09195	4.5
235.10785	2.2
241.09703	1.3
245.09137	1.2
248.09239	1.9
257.09207	18.3
258.09976	1.0
259.10760	1.8
261.08685	100.0
262.08936	1.5
263.10342	2.5
271.10712	1.2
272.09149	1.5
273.12360	0.9
285.08691	26.8
285.11719	1.3
287.10156	4.8
289.11749	1.1
290.10040	1.0
299.10245	1.0
302.12857	2.8
305.11295	2.0
307.12845	3.3
313.08160	17.0
331.09232	25.3
331.13171	1.7
331.16711	1.1
333.10532	1.4
344.13486	1.1
359.16217	1.1
360.13492	1.3
361.14188	4.1
362.14795	1.0
364.16730	1.0
374.14810	1.1
390.18036	9.6
392.19824	5.0
398.17010	15.5
405.20471	0.8
418.17603	15.7
420.19095	1.0
428.21722	2.5
431.35696	0.9
436.18549	6.6
438.20148	3.7
452.18054	1.4
456.21088	1.9
464.18152	49.3
465.18536	2.8
468.17645	13.9
469.18036	1.2
470.19217	7.6
482.19318	4.3
527.27008	1.3
553.13525	1.0
573.26978	7.2
591.28107	4.6
601.26501	44.5
602.26404	3.3
619.27643	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	619.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18146	0.3
67.05474	0.4
69.32323	1.4
69.32729	0.6
85.70892	0.3
91.05447	0.6
93.07005	0.5
94.97220	0.3
98.23090	1.5
107.07310	0.5
108.08076	0.6
119.04942	0.6
121.06413	0.4
122.09650	4.1
128.46629	0.3
136.07513	0.9
143.03374	0.6
147.04411	0.5
153.00687	0.3
153.01817	5.1
153.02936	0.6
164.07054	5.0
185.10686	1.1
186.11322	0.6
199.12273	4.6
200.09329	0.4
200.13058	4.6
218.10495	0.8
219.11252	0.4
225.10222	0.6
226.10931	1.2
241.13324	12.4
243.11354	0.8
244.12012	0.7
258.13629	3.7
259.14392	100.0
260.14725	2.0
271.10831	0.6
285.12302	6.6
320.17566	0.8
321.18518	0.4
322.15430	0.5
333.14203	0.3
336.13400	0.4
336.17072	0.6
338.18478	0.4
350.15009	1.3
351.15692	0.6
352.16263	0.6
352.20264	0.8
362.18753	0.6
364.16354	0.8
365.17285	1.5
366.17999	1.3
367.18924	0.4
380.19653	9.2
381.20212	0.9
382.21204	59.9
383.21649	1.9
406.17325	1.7
408.19040	2.2
409.16223	0.4
425.19412	2.2
426.20184	31.3
427.20432	1.3
452.18222	2.7
456.21252	53.5
457.21603	2.0
482.19174	9.4
483.19730	0.5
576.62567	0.4
589.26398	7.4
591.28101	0.8
619.27551	33.5
620.27795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
57.03438	1.0
67.05499	3.1
69.03440	0.5
69.07064	1.0
69.61582	0.4
71.04990	0.6
79.05480	2.8
81.03424	1.4
81.07050	2.8
83.04996	1.1
83.08620	2.4
85.02896	1.8
91.05465	3.7
93.07050	3.1
95.04961	2.2
95.08615	2.0
97.06509	0.9
104.10767	0.5
105.07021	3.4
106.07379	0.7
107.04957	0.4
107.08604	1.7
109.06527	1.2
109.10172	1.1
111.08096	0.4
117.07021	0.8
119.07875	0.4
119.08549	2.3
121.06614	0.4
121.10124	2.0
122.10493	0.4
123.08077	0.6
123.11685	0.4
125.09592	0.4
128.06245	0.5
129.07010	0.8
131.08580	1.4
132.08862	0.4
133.10063	2.0
135.08025	0.5
135.11713	0.5
139.11145	0.6
142.07738	0.9
143.08575	1.0
145.10109	2.0
147.08145	0.5
147.11664	1.2
155.08563	0.5
156.09341	0.8
157.10104	1.4
158.10452	0.7
159.08002	0.4
159.11713	0.6
167.10733	0.6
167.77022	0.4
169.10152	0.9
171.10283	0.4
171.11720	1.2
181.10057	0.5
181.12370	0.7
183.11588	0.5
185.13307	0.6
193.10106	0.5
193.12228	0.6
195.11758	0.4
196.12190	0.6
197.13277	0.9
204.77518	0.5
207.11615	0.6
209.13226	0.7
210.13661	0.5
215.14246	0.5
221.13356	0.6
221.15364	0.6
233.15343	1.0
240.99352	0.5
251.12534	1.0
255.17441	0.5
256.17743	0.4
307.15067	1.0
335.21890	8.1
391.24332	3.2
392.62018	0.4
533.92920	0.4
619.38055	100.0
620.38428	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	620.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64129	0.4
53.03938	1.3
54.09857	0.4
55.05513	0.7
57.03424	1.3
57.07072	3.2
59.04995	0.9
61.02914	1.1
67.05494	0.8
69.03430	4.5
69.07063	1.3
69.99806	0.9
70.00108	0.4
70.04074	100.0
71.01357	0.6
71.04408	0.4
71.04996	1.4
73.02914	1.0
78.72266	0.4
79.05469	1.0
81.03415	5.3
81.07062	0.7
83.04998	0.6
83.08609	1.0
85.02900	16.9
91.03972	0.7
91.05486	1.0
95.04972	1.1
95.08607	1.1
97.02885	8.9
99.04464	2.4
99.07446	0.9
99.08092	14.8
99.08723	0.8
105.07021	1.0
106.06524	0.6
107.07346	2.6
109.02880	14.0
111.04401	0.5
111.08054	0.6
117.09135	6.8
122.06078	0.6
122.09662	18.8
123.04433	1.9
123.10007	5.7
125.02340	0.7
127.03906	11.0
127.07520	0.5
136.07550	0.9
145.04944	4.1
150.09131	2.2
151.09435	0.8
159.10178	1.4
163.06058	1.5
164.07060	1.3
171.10083	0.5
173.04488	0.5
179.10699	0.7
181.09804	1.0
183.10168	4.0
189.11198	0.5
191.08188	1.0
195.10156	22.8
201.11116	0.4
202.08612	0.5
204.10332	0.4
207.80275	0.4
225.11200	14.7
227.08348	3.6
243.12286	7.0
245.09244	0.6
261.08765	1.6
261.13235	2.8
262.09067	0.9
296.11646	1.2
399.17661	0.5
407.97137	0.4
439.20880	0.5
457.21814	0.5
465.18576	0.6
471.19705	0.6
512.86829	0.5
592.28400	1.0
602.26770	0.5
620.29175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05505	8.0
57.03434	9.0
58.12749	0.9
58.17920	0.8
59.05001	1.8
61.02924	4.3
65.03926	1.5
66.52577	0.8
67.05499	64.7
69.03420	1.3
69.07067	9.3
71.04982	3.8
71.41724	1.1
73.02905	2.1
79.05487	14.6
80.46016	0.8
81.03410	3.6
81.07052	35.9
83.04983	1.8
83.08611	8.6
85.02899	2.5
85.06542	2.5
86.92342	0.9
91.03963	1.5
91.05480	10.7
93.07040	21.9
95.04956	3.4
95.08604	11.1
97.02896	2.4
97.06535	3.0
97.10153	1.1
99.08103	0.9
105.07014	2.4
107.04978	1.0
107.08588	9.7
109.06548	1.1
109.10149	45.6
111.08058	4.5
117.06980	4.0
119.08585	4.4
121.06470	1.0
121.10114	8.1
131.08537	3.0
133.10149	2.7
135.11691	3.8
137.09651	1.8
139.11180	0.9
149.13243	12.5
149.37466	0.8
151.07489	0.9
155.10648	2.2
159.11693	4.4
173.11729	12.3
177.12704	1.7
195.13802	4.3
211.13139	0.9
216.10728	0.9
229.14326	34.2
242.58197	0.8
242.64998	0.9
243.16025	1.3
255.15863	1.1
269.17441	37.5
394.22772	1.0
423.27377	100.0
424.27710	3.3
496.23645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.0
71.02448	0.9
71.15765	0.8
71.43439	1.0
72.88982	0.9
81.07051	1.3
94.06535	1.3
95.04956	1.3
96.08122	1.7
105.07011	1.9
105.69188	1.0
106.06544	4.2
106.42310	0.9
107.07323	13.0
108.07637	1.3
109.75349	1.1
122.09653	100.0
123.10007	5.7
124.07560	5.9
124.11186	1.2
128.89134	1.1
136.07584	1.6
137.05939	1.1
138.09120	3.2
148.11174	1.7
150.09125	11.9
164.07101	1.5
165.10236	0.9
166.08641	4.5
167.06950	1.2
176.10703	3.1
177.06596	3.1
183.11263	3.6
188.06995	1.1
193.09698	4.8
202.08617	2.9
203.08005	1.2
204.10120	3.0
204.82594	1.0
217.09636	5.4
219.11400	1.1
230.08099	2.9
231.11269	1.3
235.10719	2.6
243.11279	1.1
245.09039	1.3
248.09166	2.4
259.10681	1.7
259.14401	1.4
261.08698	13.7
261.11584	1.9
262.08994	2.3
263.10242	1.0
272.09018	1.6
285.12225	0.9
287.10474	1.9
289.11600	1.1
307.12827	4.2
332.17563	1.2
354.94333	0.9
390.17984	2.4
400.18604	15.5
418.17493	1.7
426.20233	2.6
428.21875	1.4
428.35135	1.0
438.19824	1.8
454.19604	2.3
456.20941	3.5
472.20840	11.0
529.27698	2.0
575.28174	3.1
589.16461	1.1
593.29486	4.0
603.28113	8.6
620.37830	4.2
621.16809	2.1
621.29535	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
67.05482	2.4
68.35671	1.6
71.67054	1.8
79.05485	3.5
81.03399	1.9
93.41152	1.8
94.06559	3.2
94.89989	1.9
95.08585	3.3
106.06547	5.2
107.07346	18.6
122.09649	100.0
123.10043	11.7
124.07598	6.7
124.97047	1.8
136.07553	2.9
138.09120	2.1
148.11215	3.1
150.09135	18.6
151.09549	2.5
166.08646	5.9
174.59668	1.8
176.10699	3.9
177.06628	2.3
183.11317	6.6
193.09708	5.2
202.08687	3.8
204.10197	5.6
205.10550	2.6
213.21564	1.9
217.09778	5.5
230.08109	3.7
248.09050	2.6
257.09116	4.4
261.08682	23.2
262.09055	11.4
263.09146	3.9
272.09207	2.6
285.08694	4.8
286.09061	2.4
287.09973	2.7
305.02310	2.2
307.12827	4.5
313.08279	3.3
331.09317	4.0
332.09500	2.6
391.18317	2.8
398.16733	2.3
399.17401	3.5
400.18396	7.5
419.17706	2.1
456.21481	2.3
465.18515	6.6
466.18353	4.4
470.18167	2.2
471.19742	2.5
472.20688	10.5
575.28015	3.6
593.28882	5.4
603.27490	12.1
621.21515	17.9
621.31244	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	621.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29750	0.3
59.53292	0.3
70.29679	0.7
70.30030	0.4
87.98995	0.4
91.05497	0.4
93.07018	0.4
137.06104	0.3
157.40683	0.4
161.46642	0.3
189.05304	0.6
203.24326	0.4
225.08426	0.3
296.60141	0.4
355.11154	0.4
357.12979	0.6
395.11047	3.6
410.13327	11.0
411.13712	0.7
423.14417	0.4
426.74146	0.4
431.48947	0.4
440.14514	0.4
451.16058	0.6
459.34811	0.7
548.51941	0.4
603.27966	0.6
621.22998	100.0
622.23303	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	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.99339	0.4
59.98283	0.4
64.84599	0.5
69.61384	0.4
69.61713	1.9
70.11341	0.4
71.63712	0.4
76.07854	0.5
78.56857	0.4
89.60586	0.5
98.23382	1.0
100.01568	0.6
122.24524	0.5
148.80313	0.5
173.29482	0.5
185.25865	0.5
245.46407	0.5
337.33417	0.6
348.46518	0.5
389.17828	1.2
390.18439	0.7
403.19144	1.8
404.19809	1.1
405.20847	0.9
417.17044	1.9
417.21497	0.9
418.21790	0.5
419.22348	5.1
420.22845	1.0
430.17542	0.8
431.18091	3.1
432.19449	1.9
433.20209	1.5
445.20193	4.1
446.20859	7.5
447.21692	11.4
448.22098	1.4
459.21820	2.1
460.18091	0.8
460.23618	0.7
461.19635	1.0
473.23615	1.5
474.20221	7.8
475.21094	8.8
475.26886	0.7
476.21674	1.5
487.21509	3.8
488.21906	1.2
489.22260	0.6
490.23615	0.6
491.21100	1.4
492.20822	0.5
501.22858	2.0
505.25635	1.9
518.22382	0.5
529.22412	0.7
531.21338	0.5
533.25476	16.3
534.25745	1.3
546.23151	0.8
561.24890	25.8
562.25055	2.0
565.27747	0.8
589.24286	0.7
593.27399	4.7
621.26971	100.0
622.27155	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07061	1.3
67.05506	2.3
69.91785	2.3
75.01140	1.0
81.07050	1.5
83.08600	1.7
85.57347	0.9
91.05512	1.2
98.22599	0.9
98.98499	1.5
99.05276	0.9
126.21620	1.0
157.83438	1.1
211.13483	1.3
225.98369	0.9
308.61453	1.0
321.49719	1.1
374.15588	1.2
374.46170	1.0
375.16373	1.3
378.44589	0.9
387.16159	2.0
388.16904	2.3
389.17676	8.3
390.18402	2.3
391.19357	2.3
401.17831	3.0
402.18457	3.9
403.15143	1.2
403.19330	8.7
403.35443	0.9
404.20187	4.5
405.20825	3.4
412.16769	1.1
415.19571	2.0
416.20447	1.4
417.16873	4.7
417.21045	4.0
418.17087	2.0
418.21640	3.0
419.22250	9.0
420.23007	2.2
430.17377	2.1
430.22409	1.4
431.17926	9.1
432.19354	3.0
433.20032	2.4
445.20511	8.2
446.21439	5.8
447.21817	9.9
448.22192	1.7
459.17093	6.6
460.18399	2.6
461.19870	3.1
473.19720	3.0
474.20294	10.2
475.21255	16.9
476.22031	2.0
487.21194	4.4
501.22873	2.9
505.26141	2.0
529.21832	1.7
533.25537	10.2
561.24896	36.1
562.25079	1.8
589.24481	1.4
593.27557	1.6
621.27008	100.0
622.27301	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	621.27
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76875	0.7
69.61474	1.4
69.61856	1.0
91.28458	0.6
98.22739	1.0
104.54754	0.6
122.67598	0.6
132.42133	0.6
262.54431	0.7
266.36154	0.7
374.15265	1.5
375.15955	2.0
379.60559	0.8
387.16266	1.0
388.16922	1.5
389.17575	5.3
390.18460	1.7
391.19183	1.2
401.17789	1.8
402.14191	1.3
402.18616	2.0
403.19357	6.6
404.19995	3.7
405.20746	2.9
415.19604	1.0
416.16238	2.1
416.20724	1.0
417.16968	4.8
417.20953	4.2
418.17123	0.9
418.21967	1.5
419.22375	12.2
420.22946	0.9
429.16858	1.1
430.17877	2.4
431.17917	8.5
432.18692	3.5
433.20200	2.9
444.19839	1.0
445.20062	8.7
446.20895	8.9
447.21756	13.3
448.22186	1.0
457.20593	1.0
458.20905	1.1
459.17865	3.2
459.22455	2.1
460.23071	1.2
461.19745	1.4
463.21155	0.8
473.18674	1.1
473.24249	1.6
474.20370	9.8
475.21207	15.9
487.21506	4.6
488.22015	1.9
491.20483	1.4
501.22842	2.6
529.22650	0.8
533.25537	12.6
546.22876	0.9
561.24908	74.8
562.25372	5.0
589.24347	3.2
592.60925	0.7
593.27423	3.2
621.26990	100.0
622.27313	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.91452	0.6
53.67336	0.6
55.01869	1.2
55.05507	1.9
67.05502	2.7
69.07085	1.0
69.63919	1.2
69.64306	1.5
79.05482	2.7
81.07040	3.1
83.04975	0.9
83.08614	0.9
91.05458	2.5
93.07056	2.8
95.04958	3.1
95.08623	1.7
97.06503	1.6
98.23402	1.1
105.07044	3.1
107.08631	0.8
109.06506	1.4
109.10170	1.4
117.06997	1.6
119.08569	1.9
125.09648	1.0
131.08614	1.6
135.11633	0.6
143.08548	1.3
145.10176	1.5
157.10118	1.2
171.11742	0.9
273.18488	1.4
275.20139	1.8
375.16464	0.7
387.15988	0.8
389.17606	2.7
390.18411	1.5
391.18991	1.1
401.17926	1.2
402.18875	1.4
403.19363	3.5
404.20047	1.7
405.20718	2.3
416.16107	1.5
417.16016	3.2
417.20996	2.3
418.17236	1.1
419.22287	6.8
430.17755	1.3
431.18100	5.8
432.19446	2.7
433.20044	1.5
445.20074	6.5
446.20813	6.0
447.21765	10.6
448.22366	1.0
459.22388	4.4
461.19736	2.1
473.19003	1.1
474.20407	7.7
475.21167	8.6
487.21320	2.8
488.21927	1.2
491.20361	0.8
501.22809	1.2
503.20578	1.0
533.25470	16.3
534.25293	1.1
561.24890	23.2
562.25494	1.2
589.24390	1.5
593.27576	4.7
620.39490	0.8
621.26990	100.0
621.38696	3.0
622.27014	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	621.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74800	0.9
52.56540	0.9
53.03944	2.2
54.68552	0.9
55.01865	1.6
55.05505	4.8
57.03436	1.8
60.57228	0.9
61.58430	0.9
64.57969	0.8
67.55630	0.9
69.03411	2.5
69.07067	1.8
69.33503	1.8
69.33911	3.1
71.04979	1.7
72.66936	1.0
73.02871	0.9
74.44327	0.9
79.05491	6.9
81.03408	17.2
81.07046	8.1
83.04972	1.8
83.08615	3.7
85.02892	4.2
91.05466	6.7
93.07035	6.4
94.03053	0.9
94.06585	0.9
95.04953	7.7
95.08598	4.3
96.08094	4.3
97.02895	3.2
97.06525	1.5
97.10145	1.6
98.22750	1.5
105.04584	1.3
105.07016	5.7
107.04961	2.0
107.07348	2.4
107.08588	5.2
109.02885	4.9
109.06492	1.9
109.10137	1.7
110.06044	2.0
111.04451	2.0
111.08123	1.7
113.86964	0.9
115.68871	0.9
117.07014	1.8
117.48802	0.9
119.08563	4.2
120.08088	1.2
121.06499	1.8
121.10134	2.3
122.09660	17.4
123.04349	1.3
123.08025	0.9
123.09997	7.4
123.11661	1.2
124.07581	18.2
124.11225	2.1
129.07002	3.0
130.31427	0.9
131.04880	1.3
131.08548	4.7
133.08900	1.3
133.10126	3.1
134.09590	1.1
135.08099	1.5
135.11694	1.5
136.07568	1.0
138.08167	1.3
138.09117	7.6
142.07835	1.0
145.06473	1.5
145.10056	2.1
147.04399	1.3
147.07993	1.5
147.11679	2.4
148.11177	6.4
149.09613	1.7
150.09175	1.6
157.10144	3.1
162.09192	1.1
163.11230	1.3
164.07053	1.3
166.08669	3.8
173.04391	1.1
173.09575	1.1
175.08696	1.2
175.11208	2.3
176.10706	3.7
181.41615	0.9
184.07315	2.8
186.09189	1.7
189.10071	4.8
193.12256	5.8
200.09444	1.6
201.06624	2.0
202.07355	7.0
204.10178	26.8
207.11295	4.0
211.13277	8.0
213.10184	4.6
215.08199	1.5
217.09708	33.7
218.08070	1.4
227.12521	0.9
231.11189	5.1
233.09198	11.4
235.10770	19.3
235.12988	1.6
241.09674	5.8
243.11453	1.3
257.09192	12.8
257.12143	1.0
257.12790	0.9
259.10754	10.6
261.08682	100.0
262.09018	2.9
267.15952	2.0
269.09244	4.9
270.07376	1.1
271.10886	1.2
271.58221	0.9
273.12119	1.8
273.14911	2.2
277.11951	1.3
283.10623	1.2
285.08728	20.4
285.11948	1.4
287.10278	10.7
294.73184	1.0
301.14417	2.2
302.12833	3.3
305.11380	1.8
313.08145	16.0
317.15231	1.1
331.09213	11.6
331.16382	1.3
346.19138	1.6
348.20651	1.4
354.17737	1.0
360.20584	1.6
361.14093	3.8
362.14923	1.6
366.22003	1.3
376.16504	1.1
385.23486	1.2
390.18066	13.3
392.19672	12.4
393.19421	1.3
400.18634	73.8
401.18857	3.6
418.17630	9.0
420.19263	1.8
436.18546	1.9
438.20239	2.6
439.20465	1.1
452.18121	2.6
456.02179	1.1
464.18225	14.6
470.12738	1.6
470.19189	27.3
471.19452	1.8
495.29886	1.1
529.27844	4.7
531.29724	5.1
575.28558	26.3
576.28760	1.7
585.30078	2.9
593.28955	5.5
603.28033	94.5
604.28455	8.7
621.32318	15.1
622.32745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01865	0.6
55.05503	1.6
57.03436	0.6
65.03936	0.4
67.05505	2.9
69.03421	1.6
69.07065	1.6
70.04073	6.9
71.04997	1.1
78.36433	0.4
79.05493	4.4
80.05006	0.9
81.03412	4.9
81.07056	4.9
82.99776	0.4
83.04970	1.0
83.08601	1.3
85.02890	2.4
85.06543	0.5
91.05474	3.1
93.07024	2.8
94.06552	2.0
95.04951	2.5
95.08552	2.1
96.08100	1.1
97.02893	1.9
97.06539	0.8
97.10176	0.9
98.06031	0.6
99.04469	0.6
99.08054	1.0
103.05434	0.4
105.07033	3.2
105.07610	0.6
106.06518	2.7
107.04939	1.5
107.07336	15.8
107.08573	1.7
109.02882	1.1
109.06536	1.2
109.10165	1.6
110.06039	0.7
110.09648	0.5
111.04404	0.6
111.08015	0.6
115.05500	0.6
117.07010	0.6
117.09135	0.5
119.08576	1.5
120.08079	1.3
121.02900	0.4
121.06559	1.0
121.10153	1.6
122.06036	1.7
122.09659	100.0
123.04433	0.7
123.08023	0.7
123.09992	4.7
123.11735	0.8
124.07578	5.7
124.11192	2.1
125.09611	0.6
127.03941	1.1
129.06969	0.9
131.04898	0.5
131.08540	1.6
133.10133	1.0
135.06790	0.8
135.08034	0.5
135.11687	0.8
136.07607	3.3
137.05989	0.7
137.13310	0.6
138.09132	1.6
139.11209	0.5
140.07022	0.7
145.06532	0.7
145.10097	1.4
147.08055	0.8
147.11702	1.0
148.07527	1.0
148.11203	2.0
149.09682	1.0
150.09132	15.2
153.01831	2.6
154.02136	0.8
155.02345	0.5
157.10173	0.9
159.08014	0.4
161.05937	0.6
162.09198	0.7
163.11176	1.0
164.06998	2.3
165.10214	0.5
166.08629	3.5
174.09087	1.1
175.11197	0.8
176.10719	4.1
177.06616	1.7
181.09727	1.8
183.11316	1.9
188.07104	1.2
189.10252	0.6
191.08188	0.6
192.10150	0.7
193.09763	2.8
193.12233	1.1
201.10017	0.7
202.08771	2.6
203.08144	1.6
204.10130	3.7
206.08148	1.3
206.80074	0.5
211.13376	0.8
215.11871	0.6
217.09680	3.2
218.07953	0.4
219.11308	0.8
220.09695	1.1
227.11813	0.6
230.08188	2.1
231.11234	0.6
233.09192	1.5
233.13040	0.6
235.10754	2.0
241.09911	0.6
243.11322	2.1
244.09608	0.7
245.09152	1.2
248.09125	2.1
252.09047	0.6
253.09740	0.6
255.11290	2.1
259.10666	0.7
259.14490	0.5
261.08682	9.6
261.12140	2.5
262.08905	0.8
263.10135	1.5
265.11813	0.8
267.15839	0.6
269.12811	1.1
273.14880	1.0
279.13382	0.7
287.10248	1.8
287.13733	1.2
289.11597	0.9
295.10748	1.1
297.12494	1.4
298.09433	0.7
301.14316	1.0
305.11368	0.9
307.12717	2.4
313.11755	5.1
315.13351	14.9
316.13745	0.7
323.16605	0.6
382.17407	0.8
390.17975	1.7
400.18661	13.5
418.17612	0.9
426.20383	0.8
436.22952	3.7
438.20187	0.8
454.19681	1.7
456.21048	1.7
464.21976	8.6
466.19641	0.7
472.20740	9.6
485.24878	0.8
529.28046	1.4
557.27570	7.9
558.27795	0.8
575.28668	3.1
585.27502	2.3
593.29956	2.8
603.27985	8.1
604.28400	0.5
621.31122	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	621.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	0.6
62.94696	0.5
67.05481	1.0
69.69975	1.0
69.70330	1.1
79.05497	0.8
81.03417	1.1
81.07028	0.7
85.02895	1.2
91.05472	0.5
93.07038	1.4
95.08640	0.5
96.08105	1.3
98.22688	0.7
105.07016	0.8
109.02819	0.5
110.06104	0.5
119.08596	0.8
121.10140	0.6
122.09685	0.7
123.07985	1.2
124.07585	5.8
130.93657	0.5
131.08575	1.0
138.09140	2.0
145.10138	1.1
153.01845	1.5
155.02254	0.6
161.09631	0.6
166.08504	0.5
173.09602	1.2
181.12280	0.8
184.27129	0.5
185.13301	0.6
191.10637	0.7
215.14360	0.5
225.10210	2.3
225.91519	0.5
226.10983	2.1
240.12633	0.7
241.13326	5.5
259.14371	3.8
264.11356	0.6
278.12961	0.8
281.93268	0.6
284.11554	1.3
285.12296	29.1
286.12665	1.6
310.11893	1.8
318.16125	0.8
319.16751	2.4
320.17654	1.5
322.11899	1.8
322.19073	1.4
332.14020	0.8
333.14453	0.6
334.18973	2.3
336.13449	1.4
346.15427	1.6
347.16360	1.8
348.13281	1.1
348.17194	1.2
349.14413	0.7
350.14902	1.2
352.20358	0.7
362.11417	3.0
362.15271	0.4
362.18591	7.2
363.16418	1.2
364.16360	1.2
364.20349	1.2
365.17514	0.9
376.12759	2.5
376.20334	1.2
377.13571	1.3
378.18079	12.1
379.18625	1.0
380.19626	9.9
382.21310	1.4
390.14294	1.4
390.18335	1.2
391.15256	4.1
392.15958	1.1
406.17545	52.3
407.17899	3.6
408.18997	10.3
408.23456	0.6
409.19534	0.6
422.20700	1.9
423.25208	11.5
426.20303	3.1
434.67242	0.5
441.26282	9.1
451.17212	0.9
452.18091	40.4
453.18457	2.3
454.19086	1.1
482.18961	4.8
484.20367	0.8
485.26370	0.5
529.28040	1.0
545.27435	2.3
591.28040	34.2
592.28424	2.9
603.28888	0.6
621.29071	100.0
622.29218	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	621.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68217	1.0
55.25480	1.1
59.28659	1.3
60.96568	1.0
70.58712	1.8
79.05473	1.7
81.05812	1.6
81.07066	1.5
94.06551	1.8
96.08118	3.6
98.23438	1.5
100.11249	1.9
106.06552	2.1
107.07341	6.8
108.08159	1.5
110.06009	1.9
119.08559	1.2
120.08103	1.7
122.08810	2.6
122.09654	43.0
123.09997	2.8
124.07570	23.6
124.11213	2.1
131.08499	1.9
138.09135	7.7
148.11169	8.2
149.12022	2.1
150.09061	6.1
152.10667	2.3
158.09543	1.3
166.08635	7.2
168.56126	1.2
176.10678	4.9
177.06593	1.7
180.00096	1.4
183.11244	2.1
186.09052	2.3
187.08755	1.4
189.10185	5.0
193.09735	2.2
202.07213	7.1
204.08391	2.4
204.10167	27.5
207.11214	3.9
212.09502	1.3
213.10184	7.0
217.09720	24.8
230.08125	1.6
231.11272	4.7
233.09247	6.9
235.10764	14.3
239.08099	1.3
241.09715	6.3
241.13603	1.6
242.08292	1.6
248.09427	1.4
257.09180	13.4
259.10699	12.0
261.08676	78.5
262.09009	2.9
269.09177	5.3
275.50278	1.1
283.10812	2.6
285.08710	24.7
285.11969	2.3
287.10245	15.5
289.11856	1.2
302.12943	3.8
305.11194	2.2
307.12894	2.3
313.08151	17.8
331.09192	13.6
331.16614	2.1
351.16602	1.4
360.13239	1.5
361.14063	4.4
362.14981	2.1
366.21619	2.5
374.18665	1.7
390.18091	17.7
391.18539	1.5
392.19678	18.4
400.13412	2.3
400.18634	39.5
401.19208	2.3
402.18073	2.0
410.13098	4.7
418.17615	11.2
424.18536	1.5
436.18549	4.8
438.20285	3.4
452.18152	3.2
464.18295	13.2
470.19202	30.2
471.19736	1.8
472.20740	5.0
529.27631	4.9
531.29462	6.5
542.47461	1.3
575.28485	25.7
603.28040	100.0
604.28290	7.1
621.22241	31.4
622.22925	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	621.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74800	0.9
52.56540	0.9
53.03944	2.2
54.68552	0.9
55.01865	1.6
55.05505	4.8
57.03436	1.8
60.57228	0.9
61.58430	0.9
64.57969	0.8
67.55630	0.9
69.03411	2.5
69.07067	1.8
69.33503	1.8
69.33911	3.1
71.04979	1.7
72.66936	1.0
73.02871	0.9
74.44327	0.9
79.05491	6.9
81.03408	17.2
81.07046	8.1
83.04972	1.8
83.08615	3.7
85.02892	4.2
91.05466	6.7
93.07035	6.4
94.03053	0.9
94.06585	0.9
95.04953	7.7
95.08598	4.3
96.08094	4.3
97.02895	3.2
97.06525	1.5
97.10145	1.6
98.22750	1.5
105.04584	1.3
105.07016	5.7
107.04961	2.0
107.07348	2.4
107.08588	5.2
109.02885	4.9
109.06492	1.9
109.10137	1.7
110.06044	2.0
111.04451	2.0
111.08123	1.7
113.86964	0.9
115.68871	0.9
117.07014	1.8
117.48802	0.9
119.08563	4.2
120.08088	1.2
121.06499	1.8
121.10134	2.3
122.09660	17.4
123.04349	1.3
123.08025	0.9
123.09997	7.4
123.11661	1.2
124.07581	18.2
124.11225	2.1
129.07002	3.0
130.31427	0.9
131.04880	1.3
131.08548	4.7
133.08900	1.3
133.10126	3.1
134.09590	1.1
135.08099	1.5
135.11694	1.5
136.07568	1.0
138.08167	1.3
138.09117	7.6
142.07835	1.0
145.06473	1.5
145.10056	2.1
147.04399	1.3
147.07993	1.5
147.11679	2.4
148.11177	6.4
149.09613	1.7
150.09175	1.6
157.10144	3.1
162.09192	1.1
163.11230	1.3
164.07053	1.3
166.08669	3.8
173.04391	1.1
173.09575	1.1
175.08696	1.2
175.11208	2.3
176.10706	3.7
181.41615	0.9
184.07315	2.8
186.09189	1.7
189.10071	4.8
193.12256	5.8
200.09444	1.6
201.06624	2.0
202.07355	7.0
204.10178	26.8
207.11295	4.0
211.13277	8.0
213.10184	4.6
215.08199	1.5
217.09708	33.7
218.08070	1.4
227.12521	0.9
231.11189	5.1
233.09198	11.4
235.10770	19.3
235.12988	1.6
241.09674	5.8
243.11453	1.3
257.09192	12.8
257.12143	1.0
257.12790	0.9
259.10754	10.6
261.08682	100.0
262.09018	2.9
267.15952	2.0
269.09244	4.9
270.07376	1.1
271.10886	1.2
271.58221	0.9
273.12119	1.8
273.14911	2.2
277.11951	1.3
283.10623	1.2
285.08728	20.4
285.11948	1.4
287.10278	10.7
294.73184	1.0
301.14417	2.2
302.12833	3.3
305.11380	1.8
313.08145	16.0
317.15231	1.1
331.09213	11.6
331.16382	1.3
346.19138	1.6
348.20651	1.4
354.17737	1.0
360.20584	1.6
361.14093	3.8
362.14923	1.6
366.22003	1.3
376.16504	1.1
385.23486	1.2
390.18066	13.3
392.19672	12.4
393.19421	1.3
400.18634	73.8
401.18857	3.6
418.17630	9.0
420.19263	1.8
436.18546	1.9
438.20239	2.6
439.20465	1.1
452.18121	2.6
456.02179	1.1
464.18225	14.6
470.12738	1.6
470.19189	27.3
471.19452	1.8
495.29886	1.1
529.27844	4.7
531.29724	5.1
575.28558	26.3
576.28760	1.7
585.30078	2.9
593.28955	5.5
603.28033	94.5
604.28455	8.7
621.32318	15.1
622.32745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25233	0.7
67.96263	0.8
70.70648	0.9
70.70982	1.0
79.05478	1.0
91.05469	1.2
94.06566	1.3
96.08125	3.1
98.23167	1.6
106.06524	1.4
107.07332	4.2
110.06018	1.3
122.09655	23.4
122.45609	0.8
123.09958	1.8
124.07589	15.7
124.11211	1.9
131.08496	1.2
136.07542	1.0
138.09122	7.4
148.11176	6.0
150.09117	3.5
158.09500	0.8
166.08603	4.7
176.10687	3.1
183.11172	1.4
185.10635	1.2
186.09079	1.3
189.10193	2.0
193.09673	1.2
200.09491	1.0
201.06546	0.8
202.07292	5.0
204.10176	20.6
205.10466	1.2
207.11256	3.0
213.10263	4.3
215.08038	0.9
217.09714	18.6
231.11288	4.2
233.09161	6.7
235.10738	10.4
241.09569	4.1
243.11319	0.9
245.09129	0.8
257.09161	11.2
259.10822	8.2
261.08685	65.8
262.09024	3.0
269.09229	5.1
273.12210	1.2
283.10565	1.1
285.08719	18.2
285.12155	2.1
287.10251	11.3
289.11786	1.2
302.12827	2.4
304.14420	1.0
305.11191	1.8
313.08102	11.3
316.14282	0.9
317.14798	1.2
331.09268	12.1
331.16757	2.0
332.17334	1.0
333.37723	0.9
346.19058	2.2
348.13052	0.8
348.20822	1.3
360.13306	1.2
360.20532	1.0
361.10144	1.2
361.14120	3.7
362.14832	2.0
364.20175	1.5
366.21649	1.7
374.18680	1.3
376.16354	1.5
390.18069	14.3
391.18375	1.6
392.11884	1.1
392.19693	13.0
395.10770	2.1
397.20367	0.9
400.18628	36.6
401.18741	1.4
402.18188	1.5
405.20166	1.4
410.13242	5.9
418.17526	11.2
420.18909	1.6
436.18417	3.3
438.20013	2.3
452.17871	1.7
464.18063	14.5
465.18301	0.9
470.19183	26.4
471.19147	1.6
472.20355	2.7
482.18970	1.0
503.45776	0.9
529.28040	5.3
531.29803	6.1
557.27136	1.3
575.28644	23.2
576.28558	2.2
593.29730	1.0
603.28058	100.0
604.28406	6.8
621.22449	37.4
622.22601	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.8
53.03939	7.5
55.01872	6.5
55.05508	18.6
57.03434	9.7
59.05003	1.1
59.19193	0.9
65.03942	3.3
67.05500	30.7
68.17847	0.8
69.03417	13.2
69.07056	6.0
70.04073	4.1
71.01350	1.6
71.02484	0.9
71.04982	6.1
73.02920	1.2
77.03952	1.5
79.05488	33.6
81.03412	100.0
81.07050	32.4
83.04979	15.7
83.05437	1.4
83.08617	18.3
85.02898	19.2
85.06552	2.6
86.59302	0.7
87.04451	0.9
91.05473	40.4
93.07041	22.6
94.06585	0.8
95.04962	30.2
95.08597	12.3
96.08125	1.4
97.02886	14.3
97.06518	4.7
97.10158	7.6
99.04458	3.4
99.08109	2.1
103.05498	2.7
105.04549	2.1
105.07018	28.1
106.06570	2.2
107.04954	12.7
107.07343	13.3
107.08570	11.6
108.07671	1.1
109.02877	17.1
109.06496	8.7
109.10184	3.6
111.04431	8.1
111.08061	8.6
113.06022	1.5
115.05477	3.2
117.07007	9.1
119.04963	2.5
119.08570	20.0
121.06496	6.5
121.10135	8.7
122.06057	1.6
122.09657	90.5
123.04415	4.3
123.08104	3.3
123.09998	14.7
123.11719	2.7
124.07603	5.2
124.10387	1.9
124.11237	1.7
125.02311	3.8
125.09624	5.2
127.03893	7.9
128.06239	2.9
129.05544	1.4
129.06996	13.8
131.04941	4.2
131.08556	15.1
133.06480	6.0
133.10115	9.5
135.04468	1.0
135.06773	1.2
135.08101	2.8
135.11697	2.3
136.07590	3.2
137.06000	1.3
137.09637	1.6
138.09178	1.6
141.07002	1.9
142.07826	2.7
143.08572	3.1
145.06509	5.0
145.10114	6.2
147.04465	3.3
147.08031	4.5
147.11673	16.7
149.05981	2.3
149.09631	6.6
150.09122	10.6
151.07549	1.1
151.09529	1.2
153.09171	1.3
153.12779	1.4
155.08614	3.4
157.06506	2.1
157.10104	12.7
159.08105	2.2
159.11728	1.7
161.06018	3.0
161.09663	1.9
161.13330	1.1
163.11154	6.0
164.07103	2.4
165.05504	1.1
165.07394	1.1
165.12717	4.2
166.08711	2.4
167.08569	1.3
169.10158	2.0
171.08113	2.4
171.11737	2.4
173.04498	4.1
173.06029	2.3
173.09688	2.5
175.11172	12.4
176.10745	1.7
177.12756	1.2
181.09938	1.3
181.12303	1.9
181.93661	0.9
183.07980	1.0
183.11491	2.5
185.06070	1.0
185.09593	1.1
185.13307	1.1
187.07561	1.4
188.06996	0.9
189.05516	2.2
189.11288	2.2
189.12796	1.2
191.08371	0.9
191.10756	2.7
193.09782	2.6
193.12225	35.9
195.08186	1.6
195.11769	0.8
199.11156	0.9
202.08701	2.7
203.08243	1.0
204.10355	0.9
205.12294	1.7
207.13940	1.2
209.11635	1.4
211.13266	34.8
213.12794	1.4
217.09793	1.9
219.11639	0.9
219.14084	1.0
227.12706	5.1
229.14345	1.0
230.08293	2.2
231.13849	1.1
235.11101	1.9
235.13454	2.1
243.13983	1.1
245.15535	1.3
247.13213	1.2
248.09227	1.2
249.15053	3.3
255.14020	2.3
259.13446	2.2
261.08694	5.5
262.08997	1.8
263.10431	1.8
265.12079	1.2
267.15875	11.6
267.18274	0.9
273.14822	7.6
277.14615	0.9
283.13135	1.5
285.17004	6.2
287.10297	1.3
289.14529	2.1
291.15961	1.3
301.14316	10.1
307.13016	2.8
308.13107	1.4
319.15384	4.1
337.16461	4.5
355.17590	3.1
367.22882	1.7
375.18192	3.0
385.23914	2.3
393.19275	3.5
399.17831	1.0
400.18604	6.6
411.20358	3.1
426.20651	0.9
428.22009	2.0
438.20123	1.4
454.20087	2.0
455.19214	0.9
456.20703	1.6
458.22171	1.0
459.27533	5.9
464.18823	0.9
466.19241	1.1
470.19373	1.0
472.20584	8.9
477.28458	5.9
495.29486	4.2
501.28497	1.0
511.27286	1.2
515.41510	0.8
529.27917	2.2
557.27069	1.2
565.32123	1.1
567.29785	0.9
573.30737	1.3
575.29016	1.8
585.30646	6.7
593.29303	4.9
603.29211	7.9
621.32770	36.3
622.33594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3266
Annotation	withalongolide L
Peak:m/z	Relative Intensity
53.03904	0.8
55.01834	1.9
55.05468	1.1
56.99219	0.5
57.03399	1.3
59.04986	3.2
61.02885	1.2
64.44500	0.5
67.05446	1.7
69.03420	6.6
70.60744	1.1
71.04934	0.9
76.24412	0.5
79.05422	2.4
80.03838	0.5
81.03422	2.7
81.07043	3.0
83.04940	0.7
85.02901	12.7
85.06496	0.6
91.05470	3.7
93.07037	6.4
95.04920	1.3
95.08534	2.5
97.02893	3.8
97.06480	1.2
99.04404	1.0
105.07018	6.4
107.04940	0.6
107.08531	2.5
109.02787	0.9
109.06455	2.5
117.06943	2.3
119.04857	0.7
119.08562	4.5
121.06489	4.3
121.10129	1.3
123.08057	15.1
125.09546	0.7
127.03915	3.5
128.06183	1.1
129.06966	1.4
130.07707	1.0
131.04900	0.6
131.08565	5.0
133.06467	1.3
133.10121	3.8
135.08049	4.4
135.11604	0.6
137.05902	1.0
137.09583	0.7
139.07536	1.0
142.07709	0.6
143.08522	3.4
145.04901	2.4
145.06418	1.1
145.09166	0.6
145.10123	8.2
147.08032	4.2
147.11598	1.4
149.08495	0.8
149.09592	7.3
151.07524	1.0
151.11086	0.6
153.01817	3.5
153.06998	0.7
154.02104	1.0
155.08528	3.0
157.10130	3.2
158.07230	1.3
159.07996	1.2
159.11653	1.9
161.09619	4.5
163.11165	3.1
166.07855	0.6
167.08485	1.2
169.10036	1.9
171.08005	2.4
171.11618	1.9
173.09596	11.4
173.13232	0.9
175.11189	2.8
177.09007	0.6
181.10039	1.4
182.10684	1.3
183.07912	0.7
183.11649	1.3
185.09569	0.8
185.13240	1.5
187.11124	1.3
189.09042	1.1
189.12602	0.6
191.10645	12.7
193.09927	0.8
195.11615	2.5
197.09654	0.9
197.13187	1.1
199.11113	1.7
201.12735	1.0
207.11633	1.6
209.09901	0.7
209.11636	3.4
209.13293	1.4
211.11124	1.3
211.14731	1.1
213.12746	3.2
215.14288	12.0
219.11603	0.9
223.11136	0.8
223.14726	0.8
225.12683	2.2
227.14183	1.9
231.13780	0.8
237.12709	1.2
237.16312	0.7
239.14267	1.7
242.48622	0.6
243.13704	1.3
249.14857	1.0
251.14174	1.6
252.14896	1.1
253.15819	1.7
254.16690	0.9
262.13455	0.7
265.15778	1.5
267.17276	1.1
277.15881	0.8
280.14352	0.6
283.16873	2.0
289.15878	1.0
295.16913	1.2
301.18112	1.2
319.20380	0.8
321.18634	0.6
329.18863	0.7
332.17569	3.1
335.19897	1.4
343.76547	0.6
347.19742	1.7
355.22461	0.8
365.21127	1.1
372.20834	0.9
375.19113	0.9
381.24057	1.1
383.22150	1.0
387.23209	1.7
390.21652	4.6
393.20453	1.3
395.26620	0.6
405.24265	7.7
408.22833	7.2
423.25262	100.0
424.25742	3.7
425.26727	2.0
441.26324	82.9
442.26501	3.2
443.27933	1.2
459.27667	1.9
484.73404	0.7
620.39789	2.0
621.40485	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	621.3267
Annotation	withalongolide L
Peak:m/z	Relative Intensity
52.56727	0.4
53.03917	1.2
55.01846	1.3
55.05503	2.3
57.03395	1.5
59.04998	2.5
59.05222	0.8
61.02887	1.9
67.05497	2.8
69.03421	7.8
69.07024	2.2
70.34526	1.1
71.04967	1.2
73.02863	0.7
79.05503	3.0
79.05914	0.8
81.03407	2.6
81.07045	5.0
83.04932	1.5
85.02895	11.9
85.06487	0.6
91.05460	4.4
93.07039	7.5
95.04956	2.4
95.08597	3.6
97.02895	4.2
97.06488	1.8
97.10120	1.7
99.04401	1.3
99.08025	0.5
102.39683	0.4
105.06360	0.7
105.07012	8.6
107.04948	0.9
107.08566	4.2
109.02833	1.8
109.06514	2.4
109.10115	1.7
111.08046	0.7
115.05403	0.7
117.07020	2.4
119.04886	0.6
119.07868	0.5
119.08575	5.7
121.06464	4.1
121.10082	2.2
122.09615	1.7
123.08056	14.0
123.11678	1.1
125.09547	1.1
127.03897	2.4
127.11124	0.5
128.06200	0.6
129.06953	1.9
130.07774	0.8
131.08575	5.2
133.06470	0.9
133.10103	3.8
135.08020	4.9
135.11649	1.7
137.05925	1.6
137.09525	0.9
138.09082	1.0
139.07521	0.8
139.11191	0.9
143.08533	3.5
145.04930	1.2
145.06436	0.8
145.10112	7.2
147.08020	4.6
147.11642	1.6
149.05917	0.7
149.09587	7.0
151.11115	0.9
153.01765	1.2
155.08493	3.2
157.10156	2.9
158.07214	1.6
159.08020	1.4
159.11630	2.2
161.09607	5.9
163.11137	3.6
165.06956	0.7
167.08498	1.0
169.10091	2.0
171.08023	2.4
171.11642	1.8
173.09587	10.1
173.13170	1.3
175.11121	2.7
177.12532	0.7
179.08379	0.8
181.10066	1.7
183.08034	0.6
183.11603	1.6
185.09586	1.8
185.13171	1.3
187.11101	1.6
189.08995	1.5
189.12709	0.7
191.10637	12.1
193.10059	1.5
193.12251	0.9
195.11696	2.2
197.09599	0.6
197.13202	2.0
199.11156	1.6
201.12669	1.2
207.11647	0.9
209.11638	3.3
209.13333	1.3
211.11143	1.9
213.12700	2.2
215.12357	0.8
215.14308	10.9
218.19844	0.5
220.12498	0.7
221.13217	1.2
223.11252	0.9
223.14708	0.6
225.12737	2.7
227.14281	1.4
229.12177	0.5
231.13797	1.4
237.12689	1.5
237.16292	1.0
239.14221	1.3
243.13771	1.1
245.09175	0.8
249.12578	0.6
249.14787	0.8
250.13539	0.6
251.14247	1.0
252.14990	0.7
253.15764	1.4
254.16672	0.6
261.08643	1.7
263.14371	1.0
265.15854	1.2
267.17432	0.9
275.14124	0.7
280.14529	1.4
281.15222	0.7
283.16916	1.3
289.16049	0.7
299.16299	0.8
301.17953	1.7
305.15463	0.7
305.18872	0.9
319.20300	0.6
321.18216	0.7
332.17639	2.9
335.20117	0.7
337.21628	0.7
347.19968	1.8
353.20959	0.7
355.22571	1.1
365.21045	1.5
375.19421	0.7
381.23984	1.2
383.22128	1.0
387.23132	1.4
390.21869	5.0
393.20380	1.3
399.25327	0.6
405.24130	8.5
408.22861	5.9
409.23419	0.6
423.25256	100.0
424.25510	4.7
425.26971	2.5
441.26315	78.5
442.26660	2.9
443.28174	0.5
447.27560	1.3
454.19437	0.9
459.27466	1.8
465.28342	1.4
591.28430	1.1
621.29944	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	623.1886
Annotation	Dioonflavone
Peak:m/z	Relative Intensity
51.75946	4.4
71.43317	5.9
72.39111	5.5
73.07510	4.4
74.62476	4.9
103.88750	5.2
108.30487	5.9
122.09669	48.9
123.09984	13.6
124.07552	6.3
137.06006	11.1
147.04282	5.8
272.97034	5.6
605.28552	9.0
623.18945	100.0
623.30249	9.5
624.19464	8.9
625.42358	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	623.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64416	7.7
69.64783	2.8
75.82172	1.9
76.18539	2.1
106.50388	2.1
122.09634	11.7
125.07911	2.4
131.42966	2.0
137.05888	2.5
141.18001	2.2
166.08592	2.7
167.06970	2.2
176.88040	2.1
177.05513	2.3
204.10211	5.8
217.09879	4.7
218.09937	3.4
233.19080	2.3
234.09387	2.3
258.09229	3.2
261.08701	11.9
262.09061	10.5
263.09143	5.7
286.08939	3.3
306.55878	2.0
313.08002	3.5
313.53079	2.1
391.18350	3.8
392.19193	3.5
393.20126	3.8
394.20068	2.8
397.12323	3.3
400.18536	2.7
401.19116	4.2
402.19040	6.6
411.13922	2.1
412.14651	8.5
420.18008	3.1
443.52966	2.5
465.18369	2.7
466.18182	2.9
471.19467	3.7
472.19858	4.6
577.28760	7.3
591.18256	3.2
604.28131	6.4
605.28619	34.1
623.25110	100.0
624.25214	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	623.188
Annotation	DIOONFLAVONE
Peak:m/z	Relative Intensity
64.04968	6.8
68.14606	5.6
69.09846	31.1
69.10244	10.3
93.07025	5.6
121.63762	6.4
124.12106	6.6
137.05928	11.7
144.34932	6.8
531.08484	6.3
591.18085	24.3
623.19006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11058	1.2
65.41260	1.1
81.07050	1.4
98.22633	2.5
102.09985	1.0
127.99497	1.1
131.08649	1.0
142.15607	1.2
252.87247	1.2
332.79599	1.3
390.18192	1.1
391.19064	3.2
392.19806	2.7
404.20013	1.2
405.20651	4.6
406.21463	4.5
407.22141	9.3
414.18402	1.5
415.19312	2.4
419.22726	2.1
420.22971	1.6
421.23856	6.3
422.24756	2.1
429.20575	3.9
430.21497	1.3
432.19153	1.5
443.22388	1.9
457.24100	1.7
458.24854	1.9
459.22070	1.4
460.22476	1.7
461.19760	3.8
475.21097	5.8
476.22018	3.0
477.22693	2.2
485.23523	3.4
486.20184	1.3
487.21146	2.3
489.23001	2.1
499.21335	3.3
503.24533	4.5
517.25781	1.8
535.26788	3.6
545.25360	18.0
563.25580	1.5
564.27002	1.6
573.24915	4.4
591.26062	2.3
605.27557	17.5
623.28461	100.0
624.28925	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22160	0.9
57.07060	2.4
71.35513	1.0
89.06023	4.1
133.08606	1.9
259.35883	1.0
377.17126	1.1
378.18210	1.5
389.18256	1.6
391.19211	3.6
392.19849	3.4
393.20676	2.0
401.17819	1.3
405.20670	3.4
406.21600	3.8
407.22324	8.7
408.22748	1.1
413.18057	1.3
414.18530	3.0
415.19202	3.7
419.22656	1.7
421.23956	7.1
422.24557	1.6
428.19937	2.4
429.20804	9.2
430.21320	3.0
443.22400	6.0
444.23654	2.0
445.19980	2.3
457.23941	3.8
458.24609	3.9
459.21741	4.4
461.19876	3.4
471.22195	1.3
472.22687	3.7
475.21429	4.3
476.21881	2.4
477.22736	1.5
485.23767	6.5
486.20770	1.0
489.23004	2.1
499.20926	2.3
500.22318	1.1
503.24377	4.3
513.22681	2.3
517.25989	3.3
535.27240	2.3
545.25403	63.7
546.25647	3.3
573.24817	13.6
591.25873	1.5
605.27527	100.0
606.27527	5.4
623.28516	92.9
624.29199	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70834	0.6
69.50373	1.4
69.50744	1.4
72.48941	0.8
78.34251	0.6
78.53648	0.7
96.31497	0.7
98.23232	2.1
139.20389	0.6
182.71330	0.7
321.70383	0.9
391.18906	1.0
403.19366	1.8
405.20782	1.3
406.21478	1.1
417.16525	1.1
417.21158	1.2
418.17706	0.8
419.22366	2.9
430.17374	1.5
430.22415	1.0
431.18573	2.3
432.19135	1.3
433.20084	6.0
443.18289	1.6
444.18677	0.9
445.19501	4.0
446.20859	1.5
447.21817	4.3
448.22430	2.1
458.20859	5.6
459.21646	4.1
460.22607	4.1
461.23477	0.8
463.21201	2.4
473.23605	0.9
475.21680	2.2
477.22653	2.2
517.22290	1.6
518.23047	5.4
521.21643	1.4
533.25543	9.3
535.26898	2.1
545.25586	2.7
546.26208	1.9
563.26617	6.8
605.27490	12.1
606.28162	1.6
623.28540	100.0
624.28839	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05503	0.9
55.66460	0.3
67.05499	2.0
69.07061	0.9
79.05486	1.9
81.07043	1.7
83.05001	0.3
83.08584	0.4
91.05486	1.3
93.07059	1.3
95.04954	0.7
95.08617	1.3
97.10139	0.6
104.16343	0.3
105.07037	1.1
107.04997	0.5
107.08598	0.7
112.99995	0.3
117.06993	0.7
119.08578	1.0
121.10096	0.4
125.09574	0.3
128.06241	0.5
129.06987	0.5
131.08586	0.9
133.10141	0.9
143.08565	0.7
145.10147	0.6
157.10229	0.4
159.11769	0.4
171.11992	0.3
221.10944	0.3
275.20102	0.7
291.19989	0.3
377.17487	0.6
389.17758	0.5
390.18411	0.7
391.19308	1.3
392.20032	1.3
393.20944	0.5
403.19458	0.7
404.15677	0.5
404.20245	0.8
405.16092	0.5
405.21152	2.8
406.21628	2.6
407.22464	1.9
417.16721	0.4
417.21326	0.5
418.17465	2.5
419.17770	3.6
419.22778	1.4
420.23340	5.2
421.24002	2.8
431.18484	0.6
432.18948	1.6
433.20038	9.4
434.20816	3.6
435.21732	1.0
445.20203	0.4
446.20605	1.4
447.22064	6.0
448.22522	6.1
449.23645	3.1
450.24561	0.6
459.21826	0.4
460.22665	0.7
461.18930	0.5
461.23657	0.9
462.19669	0.5
463.21292	2.6
464.22458	0.4
475.21429	1.2
476.21921	4.9
476.28183	0.4
477.22791	6.6
478.23303	0.7
479.24612	0.7
489.22913	1.7
490.23849	0.7
493.26160	0.3
503.24258	1.2
504.24820	0.3
505.22504	0.8
506.22836	0.3
507.27716	0.4
511.37292	0.4
519.23938	0.9
520.24127	0.7
521.21014	1.6
534.26385	3.1
535.27612	3.9
548.23743	0.4
549.24896	0.5
563.26483	22.0
564.26495	1.9
565.24280	0.7
566.24402	0.4
579.25610	0.4
580.26825	0.6
591.26105	0.6
594.28278	1.5
595.29022	0.7
605.42542	0.5
623.28552	100.0
624.28857	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36483	0.5
52.71291	0.5
53.03943	1.0
55.01860	2.3
55.05508	5.1
57.03431	1.2
59.28465	0.5
60.60307	0.6
62.51543	0.5
65.03933	0.5
67.05505	8.8
69.07063	5.1
76.04787	0.6
79.05487	8.7
81.03426	1.0
81.07055	8.4
83.04961	0.9
83.08617	2.2
91.05473	9.1
93.07037	6.8
95.04960	2.4
95.08594	4.7
97.06533	3.5
97.10162	1.4
101.85252	0.7
105.07021	10.0
107.04967	1.8
107.08602	3.8
109.06485	1.8
109.10155	2.3
115.05416	0.7
117.06990	3.6
119.08569	5.6
121.06512	1.0
121.10153	1.6
123.08047	0.7
123.11691	0.7
125.09664	1.3
128.06235	1.3
129.06984	1.1
131.08542	5.5
133.10126	4.7
135.08041	1.2
135.11693	1.4
137.09581	0.8
141.07007	1.0
142.07802	0.7
143.08562	1.8
145.06453	0.6
145.10062	3.9
147.08084	0.6
147.11633	2.7
149.09642	1.2
153.07051	0.7
155.08560	2.5
157.10158	1.8
159.08105	0.7
159.11693	2.7
161.09647	0.7
161.13240	0.9
163.11195	0.8
167.08629	0.7
169.10117	2.3
171.11703	1.6
173.13277	1.4
179.14334	1.4
181.10181	1.2
183.11699	1.5
185.13272	1.7
189.11194	0.7
195.11749	0.6
197.13310	0.6
207.11693	0.7
209.13235	0.8
211.14839	1.0
227.12758	0.7
239.17841	1.0
254.29422	0.7
257.19003	1.7
271.20496	0.6
275.20032	8.1
291.19601	0.8
326.17227	0.6
387.84717	0.6
389.17529	2.0
392.20041	0.6
401.17694	1.2
402.18222	0.8
403.19470	2.6
404.19855	0.7
405.20630	1.8
415.19226	1.0
416.20291	0.9
417.16501	1.5
417.20822	2.4
418.21823	0.9
419.22498	5.0
420.22922	1.3
428.16095	0.7
430.17480	1.6
431.18555	3.4
431.22913	2.0
432.19489	2.4
433.20032	2.9
443.18439	4.0
444.19366	2.3
445.20023	8.8
445.24857	0.6
446.20782	5.2
447.22046	5.5
449.23547	1.4
457.20181	1.3
458.20935	1.0
459.21786	2.7
461.19537	1.7
462.20721	2.2
463.21219	1.9
475.21362	1.4
476.21924	6.5
477.22992	5.9
478.23328	0.8
489.23013	2.1
490.23166	0.8
491.20660	1.1
503.24423	1.0
505.23080	0.6
505.26227	0.8
511.37930	0.7
515.19373	0.7
517.22687	0.7
521.21869	1.8
525.35773	1.3
531.38196	0.9
533.25482	15.0
535.26984	1.2
545.25415	1.0
549.25092	1.4
563.26459	15.8
564.26514	1.0
593.27386	3.4
605.27075	1.0
605.42401	1.1
623.28540	100.0
623.43182	9.6
624.28687	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05504	1.3
55.17662	0.3
57.03417	0.3
57.07069	0.3
67.05492	1.8
69.07056	1.1
78.58781	0.3
79.05491	2.1
81.07054	2.1
83.04967	0.6
83.08635	0.5
91.05473	2.0
93.07031	1.7
94.82538	0.3
95.04984	0.8
95.08610	1.1
97.06513	1.2
105.07030	1.7
106.06552	0.4
107.04959	0.6
107.08598	1.0
109.06555	0.3
109.10117	0.4
117.07011	0.7
119.08572	1.0
120.08131	0.3
121.10163	0.7
129.06989	0.5
131.08575	1.0
133.10149	1.4
140.99353	0.3
145.10100	0.6
147.11685	0.6
155.08537	0.4
159.11629	0.5
169.07722	0.4
179.14319	0.3
182.19539	0.3
211.12335	0.5
225.10207	0.4
235.08734	0.4
235.12444	0.4
237.10262	0.6
249.10336	0.5
251.11755	0.5
275.20007	2.0
289.18158	0.3
301.12405	0.3
315.33377	0.3
323.13739	0.4
326.13071	0.4
328.14493	0.5
342.16113	0.4
375.16156	0.6
376.17072	0.5
377.17691	0.5
388.17181	0.4
389.17679	0.9
390.18604	0.6
391.19281	1.9
392.20081	0.8
394.21848	0.3
400.16818	0.4
402.18311	0.5
403.19202	1.2
404.15732	0.6
404.19998	1.2
405.16800	1.0
405.21552	2.0
406.21469	1.2
407.22391	1.1
415.19547	0.5
417.17087	1.4
417.21616	0.6
418.17871	1.1
419.17596	2.2
419.22467	1.8
420.18896	0.7
420.23495	0.4
421.24213	1.8
428.16193	0.4
429.17136	1.0
430.17380	0.4
431.17664	1.7
431.23157	0.9
432.19427	1.3
433.19833	3.9
434.20889	1.8
435.21786	1.4
443.18585	1.0
444.19293	0.9
445.20255	3.5
446.20901	1.2
447.17270	1.3
447.22754	3.7
448.23087	1.8
449.23389	5.6
450.23969	0.5
457.20425	0.4
458.20938	1.1
459.21994	1.4
460.22659	0.6
461.19592	1.8
461.23984	1.1
462.19894	0.6
463.21097	1.7
475.20685	2.1
476.21906	5.1
477.22781	4.8
489.23148	2.4
490.23328	0.5
491.20471	0.7
503.24194	1.2
504.25201	0.6
505.22244	0.5
507.23502	0.3
508.24622	0.5
517.22174	0.5
521.21802	1.0
533.25464	3.7
535.27600	3.9
545.25519	1.2
548.23779	0.4
563.26508	17.5
564.26855	1.1
591.25928	1.1
593.27557	0.7
595.29150	0.9
605.27710	2.2
606.28314	0.5
623.28558	100.0
624.28961	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	25.7
55.23342	3.7
57.03427	7.1
57.09506	3.3
61.02925	32.9
64.99619	4.0
65.03917	5.5
67.05500	42.0
69.07077	18.7
70.30397	9.2
73.02910	8.1
79.05488	36.8
81.03400	5.5
81.07050	40.6
83.04968	5.3
83.08627	9.4
85.02896	25.3
91.03939	12.2
91.05466	52.8
93.07044	40.0
95.04961	9.0
95.08619	23.0
97.02878	15.3
97.06520	9.0
98.23222	9.2
102.79279	3.9
103.05448	4.0
105.04561	4.0
105.07032	36.4
107.04919	9.4
107.08585	13.9
109.06522	6.4
109.10126	9.6
115.03905	4.3
115.05410	7.7
117.06994	29.6
119.08583	20.3
121.06504	9.0
121.10136	12.5
123.08015	4.5
128.06175	13.3
129.06993	30.7
131.04918	6.9
131.08565	42.4
133.06462	5.1
133.10149	14.6
135.08051	6.0
135.11696	4.7
137.03664	3.8
141.06961	17.3
142.07747	3.6
143.08528	32.4
145.06438	11.4
145.10091	20.4
147.08037	8.9
147.11758	5.0
149.09598	6.4
151.03911	33.5
151.04973	6.8
155.08545	31.0
157.10110	23.6
159.08058	7.8
159.11700	17.1
161.05919	5.1
165.07011	6.1
167.08589	12.9
169.10098	18.1
171.08006	4.1
171.11617	8.5
175.11137	9.2
177.12679	6.0
178.07713	4.5
181.10098	10.5
183.11694	7.9
185.13208	7.4
187.14722	4.3
189.06960	4.5
193.10123	6.5
195.11751	11.3
197.13278	6.0
199.14787	5.2
200.20084	8.2
205.06580	4.4
207.08110	6.5
209.13162	10.3
211.14804	5.2
215.14253	6.3
218.07097	8.3
219.08049	5.3
221.06023	6.2
221.13239	9.3
223.14737	7.8
233.09883	4.6
235.14803	4.7
236.08229	8.9
239.14238	6.8
241.16106	4.8
247.07600	7.0
247.69849	3.9
249.09114	4.1
253.15726	6.0
261.09216	8.9
262.06097	4.0
263.06754	6.0
264.07773	11.6
265.08646	6.9
289.08508	11.7
291.06500	6.3
292.07233	10.0
293.07971	7.2
306.08713	4.6
307.09659	13.1
307.19992	4.3
317.08160	5.4
323.23578	4.8
333.22025	19.2
335.09055	60.9
339.12198	13.1
341.24841	4.3
349.10333	6.8
351.23160	56.7
367.11682	66.6
368.12006	6.3
369.24268	34.2
387.25247	18.3
399.32349	4.5
415.28357	4.4
425.26749	7.9
443.27875	100.0
461.29016	55.4
461.35513	8.8
623.33289	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	623.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04980	2.4
53.03943	5.5
53.32484	2.1
55.01870	10.1
55.05506	26.2
57.03433	15.4
57.07075	2.9
65.03927	5.9
67.05500	76.1
69.07060	14.8
69.78274	6.8
71.04987	2.9
73.01550	2.6
78.48822	2.1
79.05490	56.5
81.03410	5.7
81.07056	65.9
82.01890	2.8
83.04974	9.2
83.08636	8.4
85.06538	8.9
91.05471	58.0
93.07035	44.4
93.07600	3.1
95.04349	3.3
95.04964	65.5
95.08601	32.3
97.06532	9.4
97.10172	4.4
98.23501	2.7
103.25076	2.4
105.04469	3.1
105.07018	42.0
107.04944	13.1
107.08580	23.6
109.06505	45.4
109.10156	9.5
111.08082	3.8
113.05995	16.4
115.05470	6.6
117.07008	26.3
119.08591	34.9
121.06505	8.0
121.10117	11.6
123.08076	9.3
128.06200	5.4
129.06981	15.3
131.08559	30.8
133.06451	5.0
133.10127	25.4
135.07999	17.4
135.11671	10.3
137.09601	2.1
141.06984	5.7
142.07816	2.5
143.08530	22.2
145.06436	3.2
145.10104	24.7
146.10437	2.5
147.08035	8.4
147.11684	14.9
149.09625	5.7
149.13202	5.2
150.65935	2.4
155.08536	11.4
157.10124	15.7
159.07999	5.2
159.11688	19.1
161.09589	6.4
161.13272	6.7
163.11220	3.0
167.08575	3.6
168.09399	2.4
169.10118	12.4
171.11670	11.5
173.13280	9.4
175.11205	3.8
177.12740	3.6
179.08560	2.8
181.10188	4.2
183.11674	7.0
185.13286	9.6
187.11203	5.6
187.14815	5.0
187.97731	2.2
193.10046	4.4
195.11667	7.8
197.13249	3.0
199.11104	2.9
199.14864	5.2
201.16360	4.5
207.11624	4.3
209.13226	4.2
211.14862	5.7
217.15889	6.3
221.13124	3.0
224.33771	2.6
225.16254	3.0
229.19418	2.5
237.16385	2.7
241.14256	3.7
241.19505	6.2
257.19064	3.3
259.20633	9.6
271.17065	2.4
273.18460	30.4
275.20020	9.0
279.15909	8.3
291.19543	29.7
303.19046	2.3
315.23105	4.6
327.26804	3.7
333.24252	7.9
347.22232	10.7
362.79367	2.3
405.20901	4.2
410.55594	2.3
432.18927	3.3
433.19794	5.6
447.22061	2.7
468.31381	2.7
483.35095	2.5
511.38004	3.1
519.24084	5.3
531.38049	7.4
549.39166	5.2
563.26727	11.1
593.61816	2.9
605.41888	19.5
623.28320	51.8
623.42719	100.0
624.28955	8.9
624.42950	8.0
630.25311	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	623.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.0
53.03951	3.0
55.01863	9.4
55.05508	40.9
57.03437	6.5
57.07069	3.5
62.81028	1.4
65.03934	4.1
67.05501	53.0
69.03432	5.1
69.07062	22.0
71.04990	3.3
71.42188	1.4
75.55368	1.5
77.04001	1.4
79.05488	48.8
79.26868	1.3
81.03408	9.6
81.07051	44.8
83.04988	5.7
83.08613	17.7
85.06551	2.6
91.05474	40.8
93.07037	34.6
93.07597	2.1
95.04446	2.0
95.04951	10.3
95.08604	27.4
97.02893	2.1
97.06534	7.0
97.10170	18.3
98.61121	1.5
98.81891	1.6
105.04556	2.9
105.07020	32.6
107.04992	5.6
107.08591	25.5
107.09270	2.6
109.06522	4.4
109.10156	14.8
111.08105	4.1
115.05468	4.5
117.07018	21.2
119.08584	22.2
121.06519	2.5
121.10139	13.7
123.08078	2.5
123.11726	4.4
125.09609	13.1
128.06250	6.8
129.06985	20.1
130.07793	2.6
131.08568	23.7
133.06526	1.7
133.10126	17.9
135.08098	5.4
135.11690	4.9
137.09651	2.3
141.06987	8.3
142.07791	5.5
142.60274	1.7
143.08565	20.0
144.09433	1.8
145.10107	20.1
147.08070	3.3
147.11687	11.7
149.09613	2.3
149.13255	2.4
153.09079	1.6
154.07753	3.1
155.08565	16.0
156.09377	2.1
157.10124	13.5
159.08089	2.5
159.11687	16.3
161.09608	2.3
161.13248	2.7
163.11224	3.3
163.14842	2.0
165.06952	2.3
167.08521	8.4
168.09364	2.7
169.10112	16.7
171.08075	2.1
171.11664	11.2
173.06026	2.6
173.09605	2.6
173.11862	2.9
173.13283	5.5
175.10992	1.6
179.08649	5.6
180.09370	1.8
181.10126	11.7
182.10861	1.5
182.62967	1.6
183.08086	3.6
183.11681	16.6
185.13303	7.1
187.14792	3.3
189.11125	8.1
191.08531	1.7
192.09343	1.7
193.10138	4.0
195.11646	9.6
196.12469	1.8
197.09613	2.3
197.13266	11.1
199.14871	6.4
207.11743	4.6
209.13301	8.8
209.15149	2.1
210.13976	2.1
211.11205	2.1
211.14867	5.1
213.12871	3.3
213.16505	3.2
215.18022	1.6
219.11736	3.1
221.13324	4.0
223.14922	6.9
225.16399	3.7
227.12730	13.0
233.13361	3.3
235.14854	4.0
237.16438	4.4
239.17995	5.6
241.19545	2.2
247.14870	1.8
249.16455	2.5
251.17984	3.2
253.19713	3.3
255.17575	1.7
257.19080	4.1
259.20642	5.5
263.18109	2.6
273.18524	4.2
275.20035	6.5
281.22635	1.8
289.14661	1.4
291.19348	11.9
295.20599	2.7
315.23367	1.7
363.26773	2.5
377.28616	2.2
379.30215	7.8
382.49936	1.5
419.29813	1.8
433.20178	1.9
447.18307	1.6
451.32193	2.7
475.30975	2.3
513.37463	3.1
525.35803	6.1
529.29358	1.7
531.38330	5.1
545.21661	2.2
549.39447	6.9
553.35266	2.2
554.36115	4.2
563.24176	2.3
587.41223	1.9
595.43665	2.0
605.24249	4.1
605.41968	17.5
623.28241	12.1
623.43066	100.0
624.26825	2.8
624.43414	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	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81053	3.1
55.01864	6.8
55.05502	39.9
57.03424	4.1
65.03926	5.5
67.05495	53.2
69.07061	20.5
71.05030	3.9
79.05483	39.0
79.40482	2.9
81.07047	43.2
83.04979	8.0
83.08611	15.8
85.24093	3.6
87.08892	3.2
91.05478	34.0
93.07040	33.4
93.30519	3.4
95.04953	9.8
95.08608	26.6
97.06532	8.3
97.10171	24.7
103.28891	3.4
105.07027	29.2
107.08572	24.2
109.06487	4.7
109.10139	14.5
112.50889	3.2
115.05455	4.9
117.06993	23.7
119.08572	29.5
121.06464	3.2
121.10111	9.8
125.09631	22.0
125.69002	3.5
126.39728	3.2
128.06230	5.7
129.06970	19.6
130.07840	3.5
131.08578	15.4
133.10129	14.1
135.11676	6.8
141.06970	12.1
142.07750	6.2
143.08513	17.3
145.06493	12.7
145.10104	13.1
147.11665	7.4
153.07005	3.9
153.09085	4.2
155.08549	16.8
157.10118	13.5
159.11679	13.5
165.06859	3.5
166.53354	3.8
167.08551	7.8
169.10123	13.3
171.11662	10.3
173.13257	4.6
179.08531	3.9
181.10123	8.7
182.10886	3.5
183.11685	13.1
185.13240	10.4
187.14731	6.0
189.11209	13.5
193.10068	4.6
195.11653	9.2
197.13293	15.1
199.14835	5.9
201.16348	3.9
209.13155	5.9
211.14824	5.8
219.14005	3.4
221.13242	6.8
223.14749	5.7
225.16269	5.4
227.12778	12.8
233.68132	3.6
235.14732	4.9
237.16374	3.7
239.17944	5.7
243.17511	4.3
251.17819	4.3
259.20746	5.3
271.16885	15.9
275.20102	7.6
289.17896	4.7
291.19519	11.7
379.30011	10.1
525.35687	6.3
531.38257	10.4
563.26129	8.0
605.41650	17.5
623.28381	37.7
623.43060	100.0
624.43231	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	624.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
52.32657	0.3
53.71922	0.3
54.68177	0.3
56.82731	0.3
58.28058	0.4
65.78029	0.3
69.03412	1.3
69.35839	1.6
70.06569	1.1
73.05984	0.5
79.01853	3.5
81.03407	0.4
81.39947	0.4
88.63779	0.4
97.02874	1.2
98.23363	0.7
107.01330	0.7
109.02907	0.4
125.02316	2.3
127.03907	2.1
134.30652	0.3
135.08047	0.3
143.03395	5.9
153.01811	100.0
153.02856	4.2
154.02171	0.9
154.09563	0.3
163.03767	0.3
191.14284	0.4
195.02794	0.4
213.03908	0.7
233.23718	0.4
237.03833	2.6
261.04004	0.5
266.62619	0.3
271.25528	0.3
279.04971	1.1
288.19360	0.3
297.06003	1.9
307.70679	0.4
343.19864	0.4
449.07114	6.9
467.08279	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	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.01865	4.3
57.03434	3.7
61.02914	3.5
65.03947	1.7
67.05486	2.0
68.99767	2.3
69.03428	18.6
71.04991	2.1
73.02880	2.9
79.05482	2.0
81.03410	16.4
81.07040	5.9
85.02890	34.8
87.00816	14.9
91.05453	3.1
93.07062	2.7
95.08604	3.2
97.02883	19.9
99.04451	9.6
105.01892	8.2
105.07011	3.8
107.04852	1.8
107.08586	2.3
109.02866	15.9
115.05441	5.5
117.01798	3.4
117.06953	2.1
119.08599	2.1
121.10175	3.2
122.03662	4.7
126.18282	1.7
127.03910	30.6
128.06230	1.9
129.07002	6.1
131.04901	5.6
137.05963	100.0
143.04922	11.6
145.04979	11.6
145.06383	1.6
151.03876	2.5
151.07535	5.5
153.05505	2.7
155.80013	1.7
157.06497	5.6
159.02875	7.4
160.05183	14.5
161.05949	4.6
163.07591	3.1
167.90620	1.9
172.05219	2.7
172.72185	1.8
175.07527	99.7
183.11688	2.1
185.05780	1.9
187.07509	44.5
189.09044	10.7
205.08583	21.7
211.07495	2.8
217.08646	6.1
219.08177	2.0
219.10072	2.1
231.05014	7.1
231.08029	3.6
235.09618	28.7
239.06976	2.5
247.07460	2.8
248.08240	3.3
256.07150	2.8
263.10666	4.0
270.08804	3.6
271.09671	7.8
279.10132	2.6
291.10071	8.3
299.45587	1.7
309.10339	1.8
311.12601	8.1
323.12848	16.6
325.14517	3.1
341.13846	26.2
357.13113	2.7
442.55838	1.6
443.27109	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
54.88507	1.4
55.01871	1.5
57.03422	3.3
61.02928	2.0
73.02906	1.9
79.88525	1.3
81.03423	2.3
81.07052	3.2
85.02895	5.8
87.26658	1.5
93.03381	3.2
95.04950	1.6
98.23125	1.5
99.71147	1.3
103.03942	3.4
107.04993	2.3
109.02863	2.9
111.04421	1.6
115.08650	1.8
116.64801	1.3
121.02866	2.5
135.04410	2.0
137.02315	7.8
140.21236	1.4
145.06409	2.0
149.05980	9.8
151.03893	26.8
151.05008	3.8
152.69598	1.4
153.01834	4.9
153.72986	1.4
161.02292	2.2
161.05934	2.1
165.01822	1.7
175.03896	3.7
177.01823	2.1
177.05455	1.4
179.03331	2.1
181.04906	1.6
189.01834	6.8
190.02388	1.6
191.03372	5.2
195.02873	7.9
201.01871	2.2
201.05542	2.1
203.03354	8.9
207.02878	10.2
209.04424	1.6
215.03288	2.7
217.04903	4.6
219.02753	7.5
221.04381	2.5
227.03525	1.7
229.04929	4.4
233.04385	3.3
241.04900	1.8
245.04250	1.8
255.02892	2.9
257.04498	2.1
261.03793	2.2
271.06146	1.8
273.03955	2.1
281.04535	2.1
281.08109	3.0
283.05972	2.5
284.06906	2.9
285.03967	3.2
292.29895	1.6
294.05179	3.5
295.05777	2.2
296.06769	4.4
297.07407	3.2
298.04913	2.0
298.08209	2.8
300.69476	1.4
307.05795	1.8
308.06876	4.0
309.03983	2.5
309.07416	6.9
310.04684	13.4
310.08331	5.5
311.05362	3.8
311.09085	4.1
312.06128	7.2
313.07004	6.6
321.07437	3.5
322.04636	11.2
322.08228	2.9
323.05420	6.4
323.08923	3.1
324.06284	23.2
324.09799	1.6
325.07010	77.6
326.07648	9.8
327.08487	5.6
334.04636	2.6
334.08423	4.1
335.05566	2.6
336.06381	12.4
337.07010	48.5
337.09998	1.7
338.07687	17.0
339.05188	2.4
339.08710	13.3
340.05807	4.8
343.08124	4.6
347.09210	1.8
348.06113	3.7
349.06998	6.4
350.07724	7.4
351.04593	2.0
351.08591	23.8
352.05728	7.8
352.09341	8.8
353.06320	3.2
353.10114	3.9
355.08060	100.0
356.08463	5.5
361.07202	2.3
362.07922	5.3
363.08707	8.7
364.09232	1.9
365.06451	2.3
365.10248	16.7
366.07172	6.9
367.08060	61.1
368.08182	2.5
369.09567	4.0
375.08420	2.4
376.05487	2.4
377.10233	10.6
378.07458	2.5
379.08029	33.0
380.08676	5.5
381.09744	21.0
385.09146	21.2
386.09058	1.7
387.08853	2.0
390.07336	3.5
391.07919	15.9
393.09464	6.8
395.11240	11.2
397.09012	3.2
403.07864	7.0
404.09039	1.9
405.09842	7.7
407.07352	2.0
409.09106	59.0
415.07941	3.2
417.09677	2.2
418.06750	2.1
419.11282	2.8
421.09167	28.2
423.10770	2.4
431.11633	3.0
433.08990	22.3
439.10220	48.5
440.10583	3.5
443.11160	1.9
445.10980	2.7
447.10516	1.8
451.10129	26.6
452.10519	2.8
457.11246	40.1
458.11652	3.1
463.10669	2.2
469.11215	36.2
470.11716	3.3
475.11499	7.2
487.12299	97.6
488.12518	5.1
493.11148	6.1
505.13260	15.8
511.12271	28.9
517.11359	3.4
523.12457	3.0
529.13342	22.1
535.12427	8.3
541.13385	20.7
553.13367	27.6
554.13495	2.8
559.14838	8.0
571.14392	30.5
589.15326	23.6
607.16327	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	625.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55065	0.5
54.29148	0.5
55.01862	0.9
55.05498	1.6
60.42458	0.5
67.05489	5.0
69.07064	1.3
69.73920	0.5
69.74257	1.7
75.71226	0.5
75.74052	0.6
79.05501	3.1
81.03416	1.7
81.07058	3.3
83.04970	1.1
83.08586	0.8
91.05466	3.0
93.07046	3.0
94.06557	0.7
95.04940	1.0
95.08599	1.7
97.10175	0.9
103.05443	0.7
105.05105	0.5
105.05811	0.5
105.07034	1.2
107.08590	1.8
109.10152	1.3
111.08026	0.6
119.08588	1.3
120.08098	3.8
121.10132	1.1
121.26058	0.6
131.08598	0.8
133.10106	0.8
134.85887	0.5
135.11681	1.1
145.10159	0.8
148.07565	2.1
149.13297	0.7
149.14973	0.5
150.86795	0.5
158.09642	0.8
159.11699	0.8
163.11183	0.7
188.10722	1.6
197.10793	0.6
208.90016	0.6
235.12296	1.4
237.10074	0.6
243.07674	0.8
244.08434	0.8
247.08636	0.8
248.09392	0.8
249.10252	3.3
250.11082	1.4
251.11681	0.9
261.10172	1.1
262.10938	0.9
263.11844	4.6
264.12347	0.9
265.13422	0.8
269.17432	1.2
275.08032	0.6
275.11664	1.0
277.09674	2.5
278.10416	1.6
279.11163	1.7
283.15515	0.8
289.09756	0.9
290.10565	0.9
291.11212	7.9
292.11783	1.2
293.12781	5.3
295.10834	1.5
298.13452	1.1
299.14243	1.8
300.15140	1.0
312.14856	1.4
313.15790	2.0
314.16278	0.7
319.10730	1.6
323.14670	0.6
324.11295	0.9
325.11951	3.1
326.12854	1.9
327.13721	0.7
328.14462	0.8
328.18082	1.3
329.12637	0.8
337.11951	1.7
338.12823	2.0
339.13635	5.5
340.14413	7.3
340.18121	0.9
341.15164	1.1
342.16116	1.8
347.64163	0.6
352.14621	1.2
353.11337	0.8
353.15555	1.4
354.12885	3.1
354.16104	4.7
355.13010	2.3
355.16718	1.3
356.13834	1.4
356.17648	2.9
358.19260	1.0
366.11972	0.8
366.16019	0.9
367.13168	1.8
368.13913	5.5
368.17889	0.8
369.14587	2.9
369.18567	1.6
370.15137	3.9
370.19534	2.7
371.19781	0.7
380.13867	0.9
381.15021	1.3
382.11563	0.7
382.15524	4.7
383.16394	1.2
384.17020	11.5
385.17441	1.2
395.12717	1.1
396.13126	1.6
396.17117	2.4
397.18170	3.0
398.14172	1.2
398.18961	4.5
399.19284	1.2
400.20413	3.0
401.13461	0.8
402.18124	2.3
410.14810	2.1
412.16550	11.3
413.17041	0.8
424.16599	1.3
425.17465	0.6
426.18085	5.2
427.18903	2.1
428.20395	2.9
430.17535	9.5
438.14334	0.7
443.18274	1.2
444.19138	3.8
452.16428	0.7
453.16687	0.9
454.17667	5.2
456.15363	3.2
470.17065	2.1
471.12457	0.4
471.17828	21.6
472.18619	100.0
473.18985	6.1
502.19681	1.0
549.24969	0.6
564.32123	0.6
575.23004	1.0
593.23901	4.1
625.31836	2.9
625.43622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49842	0.5
53.03953	0.5
55.01868	1.3
55.05503	3.6
57.03437	1.1
67.05500	7.6
69.07066	3.3
69.42627	2.2
70.06589	0.5
71.05013	0.6
71.08630	0.7
79.05485	5.3
79.18764	0.4
81.03427	0.8
81.07049	7.3
83.04976	0.9
83.08613	1.1
84.76587	0.5
85.06531	0.7
91.05466	5.5
93.07043	5.5
95.04980	1.3
95.08588	4.5
97.06540	1.6
97.10166	1.0
99.08115	0.7
105.07027	4.6
107.04979	1.0
107.08608	3.0
109.06534	1.4
109.10142	2.4
113.06104	0.5
117.06992	2.5
119.08599	3.2
121.10116	1.2
123.11701	0.7
125.09584	0.4
128.06233	0.7
129.07024	1.5
131.08569	3.2
133.10101	2.8
135.08089	0.7
135.11736	1.6
141.07060	1.3
143.08627	1.8
145.10104	2.7
147.08147	0.5
147.11717	1.7
149.09604	0.8
155.08549	1.1
157.10133	1.6
159.08080	0.5
159.11751	1.8
161.09631	1.1
161.13274	0.9
163.99811	0.5
169.10194	1.0
171.11697	1.6
173.13283	0.7
179.14342	1.3
181.10135	0.9
183.11697	1.3
185.13252	1.4
195.11742	0.7
197.13344	1.2
199.14905	0.5
209.91498	0.5
223.14874	0.5
225.16359	0.8
241.19586	0.8
259.20700	0.6
273.18570	1.6
275.20178	1.3
277.21744	0.7
291.19632	1.1
314.87268	0.4
377.17706	1.8
379.19495	1.0
391.19409	1.2
392.20114	1.2
393.20764	1.7
405.16470	2.5
405.21146	1.6
406.17752	1.3
407.22745	4.6
419.18164	3.7
420.19162	2.4
421.19980	3.3
431.18686	1.2
433.19812	5.0
434.21030	5.4
435.21759	7.0
436.22406	0.8
445.19995	1.0
446.20807	0.7
447.21884	1.8
448.22986	0.7
449.19400	2.8
451.24991	1.4
460.22571	1.1
461.23532	1.7
463.21283	3.0
464.21924	1.6
465.23349	2.6
477.22836	2.6
478.23428	6.2
479.24863	5.8
491.24420	1.4
505.26160	1.1
507.24191	0.7
513.36243	1.0
521.25598	9.2
522.25928	0.6
523.22760	2.2
527.37262	1.6
533.25482	0.7
533.39929	1.2
537.28851	0.7
547.26953	1.6
549.24915	1.1
551.40668	0.7
565.28094	21.2
566.29053	1.0
581.27551	2.0
593.27960	0.8
597.30872	0.6
607.29150	0.7
607.42969	2.7
625.30151	100.0
625.44733	7.8
626.30597	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	625.319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84073	1.0
57.02314	1.0
61.02916	3.2
65.63873	1.1
67.05502	6.3
69.03428	2.8
69.76900	1.0
73.02921	1.4
81.03432	1.0
81.07064	5.0
85.02907	4.2
91.03927	2.3
93.07030	2.3
97.02895	2.8
98.22748	3.5
98.23419	2.7
107.08572	2.3
109.02767	1.3
109.10161	4.7
113.96652	1.2
123.52068	1.2
149.13293	2.0
173.11850	1.2
243.08344	1.9
413.17654	5.6
453.20767	6.4
463.30844	1.4
625.31860	100.0
626.32239	6.5
627.63275	1.2
631.87354	1.2
634.76782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
53.25736	0.6
55.01855	0.9
55.05493	1.2
67.05499	3.7
69.03418	1.4
69.06715	0.7
69.07064	9.2
69.42524	0.9
69.42914	2.1
71.04955	0.6
71.08607	1.1
79.05498	4.1
81.03410	1.0
81.07054	38.1
85.02891	4.4
91.05458	2.9
93.07033	3.6
95.04991	1.2
95.08594	2.3
97.02873	1.6
97.06520	2.3
99.08089	21.3
105.07034	4.0
107.08571	3.0
109.06516	1.8
109.10138	10.0
111.08102	0.8
117.06979	1.1
119.04968	0.7
119.08562	2.7
121.06499	1.3
121.10151	1.6
123.08048	1.4
125.09625	2.6
127.11169	2.8
129.07027	1.4
131.08540	3.3
133.10129	2.0
137.05957	1.8
141.06985	0.6
143.08540	4.7
143.10693	1.0
145.10120	5.1
147.08041	1.2
147.11691	1.8
155.08562	3.2
157.10107	2.6
159.08069	1.5
159.11691	1.9
165.06984	1.3
167.08597	1.3
169.10139	3.5
171.04617	0.6
171.08044	2.7
171.11711	1.5
173.09586	4.5
173.13264	1.0
175.11243	0.8
179.08585	1.0
179.14285	1.0
180.09369	0.9
181.10101	3.9
182.10916	0.7
183.11678	3.5
185.09596	1.3
185.13251	2.5
187.11330	0.7
189.09074	1.3
191.10638	1.6
193.10136	2.5
195.11690	4.7
197.09569	2.3
197.13257	5.3
199.11176	2.1
199.14716	0.7
205.10234	0.9
207.11708	2.2
208.12250	0.8
209.09682	1.2
209.13249	1.7
211.11159	2.4
211.14815	1.8
213.12706	2.0
218.10756	0.7
219.11719	1.3
221.13177	3.6
223.11197	2.2
223.14920	1.0
224.12108	0.6
225.12701	5.2
227.14398	1.2
231.13728	1.2
232.12473	0.9
233.13191	0.8
234.13925	0.6
235.11241	0.7
235.14822	1.8
237.12730	1.3
237.16368	4.2
239.14301	3.4
243.13823	0.7
247.14842	1.9
249.14862	1.2
250.13483	2.0
251.14313	1.0
253.15854	1.4
253.19540	1.1
255.17461	1.8
263.14188	1.0
265.15881	5.6
267.17291	0.8
272.19348	0.7
273.15799	0.7
279.15924	1.2
283.16888	16.5
299.16278	3.2
301.17966	100.0
302.18552	5.3
303.19513	2.0
311.19965	1.2
313.21707	1.6
327.19495	0.9
329.21078	9.8
331.22723	5.1
335.20078	1.1
339.19510	0.8
340.20535	0.9
353.21088	4.9
357.45541	0.7
371.22354	0.9
391.26291	2.0
409.27338	21.7
410.27576	0.9
411.21606	0.7
427.28397	48.4
428.28702	2.2
445.29422	12.7
446.29828	0.7
463.30643	3.4
503.51074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01871	0.8
55.05503	1.7
57.03426	2.4
61.02919	1.9
67.05501	4.5
69.03416	6.1
69.07057	5.9
69.43999	2.8
70.76704	0.5
71.04994	1.0
71.08630	0.8
73.02907	1.0
74.53973	0.6
79.05486	6.7
80.63932	0.6
81.03409	1.9
81.07047	43.4
83.08628	0.7
85.02892	12.1
85.06540	0.9
87.04470	1.4
91.03962	0.9
91.05457	3.2
93.07035	4.6
95.04939	1.3
95.08601	3.0
97.02902	4.5
97.06522	1.4
97.10147	0.6
97.29206	0.5
98.22742	1.0
99.04453	0.6
99.08083	20.9
103.03759	0.6
103.05473	1.2
105.07005	4.5
107.04903	1.0
107.08580	5.9
109.02890	2.2
109.06465	1.2
109.10131	7.6
111.08086	0.7
115.05417	0.7
117.07014	1.7
119.04950	1.0
119.08535	2.9
121.06477	2.5
121.10114	1.9
123.04425	0.6
123.08041	1.1
123.11681	0.8
125.09616	13.7
127.03909	2.1
127.11160	4.1
128.06198	1.0
129.06999	1.2
131.04933	1.3
131.08565	2.7
133.10129	1.8
135.08011	0.8
137.05927	3.2
141.06981	0.8
143.08545	4.2
143.10655	8.1
145.04895	1.0
145.06520	0.7
145.10086	5.4
147.08015	1.7
147.11661	1.2
153.01825	0.9
155.08537	3.6
157.10118	2.7
159.08020	1.7
159.11685	1.5
161.09677	1.3
163.07487	1.7
165.06989	1.0
167.08563	1.5
169.10109	4.1
171.08008	3.3
171.11694	2.1
173.09613	4.9
173.13123	0.9
175.11183	1.5
177.08992	0.7
179.08536	1.5
180.09314	0.7
181.10080	2.8
182.10844	1.3
183.11658	3.5
184.08873	0.6
185.09624	1.6
185.13251	2.4
189.09120	1.8
191.10593	1.0
193.10115	2.2
194.10841	0.6
195.08046	1.3
195.11638	3.4
196.12488	0.6
197.09647	1.8
197.13222	6.5
199.11143	2.4
199.14888	1.7
201.12691	1.0
205.10085	1.3
207.11726	2.0
209.09650	1.3
209.11462	0.6
209.13237	1.8
210.10445	1.1
211.11172	2.4
211.14746	1.3
212.11981	0.9
213.12695	2.1
215.14333	0.9
217.10162	1.4
218.17807	0.6
221.13222	2.3
222.10379	0.6
222.13947	0.8
223.11176	3.5
223.14815	1.5
224.11858	0.8
225.12755	6.6
225.16388	0.6
227.14256	1.2
231.11638	0.7
233.13231	1.2
235.11206	1.2
235.14830	1.8
236.11954	1.0
237.12732	1.2
237.16388	3.8
239.14323	2.8
247.14810	1.2
250.13533	1.4
251.14227	1.4
253.19406	0.9
255.17381	2.4
257.13214	0.8
259.14862	0.6
263.14221	1.8
265.15891	6.1
265.18820	1.0
267.17407	2.1
273.03992	1.1
275.14282	0.7
281.15338	1.4
283.16885	18.3
284.17303	0.8
285.18524	1.5
291.17444	0.9
293.18903	0.8
299.16299	4.1
300.17007	0.9
301.03418	1.9
301.17947	100.0
302.18448	3.7
303.19495	11.2
307.16916	1.3
311.19983	3.8
317.18951	1.3
325.17648	1.0
329.21075	9.2
330.21393	0.6
331.22491	0.7
335.20096	2.6
341.21405	0.8
353.21005	5.2
354.21863	0.9
371.22031	2.2
391.26178	3.3
409.27301	27.0
410.27664	0.9
427.28397	27.2
428.28625	0.9
445.29413	10.3
446.29803	0.7
463.23135	13.7
463.30420	12.0
491.26926	0.8
515.25787	0.7
571.32294	3.1
589.33673	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01867	22.2
55.05509	29.9
57.03434	9.6
57.07058	3.6
58.44186	1.3
65.03949	3.9
67.05498	61.8
69.03405	1.4
69.07065	46.9
71.04988	5.4
79.05485	47.2
81.03432	4.7
81.07050	60.8
83.04973	7.7
83.08607	16.2
85.06546	1.9
91.05473	54.1
93.07040	45.8
95.01359	2.1
95.04959	12.9
95.08595	44.8
97.06516	23.8
97.10172	7.3
98.22653	3.9
99.08069	2.7
103.05461	2.6
105.04521	1.7
105.07021	49.6
106.07322	1.7
107.04959	8.0
107.08578	30.8
107.09249	2.2
109.06518	5.7
109.10145	18.0
111.08092	5.6
115.05459	3.1
115.07799	1.3
116.06272	1.5
117.07016	23.7
119.06051	1.7
119.08575	41.5
121.06498	4.2
121.10129	20.4
123.08068	6.5
123.11716	5.7
125.09634	4.9
128.06261	3.7
129.05544	1.8
129.06989	17.4
130.07820	1.9
131.08554	35.5
133.10112	32.1
133.11014	2.2
135.08075	4.3
135.11702	15.3
137.09613	3.7
139.11163	2.6
141.06995	6.4
142.07796	3.4
143.08549	23.5
145.10115	28.8
147.08051	2.0
147.11667	21.3
149.09633	6.0
149.13248	5.4
151.11157	3.1
154.07776	1.4
155.08498	12.7
156.09198	2.0
157.10132	17.7
159.08093	2.5
159.11684	23.6
159.12949	1.9
161.09631	2.2
161.13246	13.1
163.11171	6.6
163.14874	3.0
165.12749	2.7
165.57210	1.4
167.08621	5.2
168.09348	2.6
169.10107	15.2
171.10300	3.1
171.11644	20.7
173.09599	2.1
173.13258	15.4
175.11205	2.0
175.14827	5.7
177.12741	2.2
179.08575	3.4
179.14378	3.2
181.10124	8.5
182.10965	2.5
183.11685	13.3
185.09714	1.5
185.13226	14.4
187.11241	2.3
187.14787	7.0
189.12747	2.1
189.16406	2.4
193.10136	3.5
195.11700	8.8
197.13232	11.3
199.14844	7.4
201.16432	2.3
205.15834	1.7
207.11787	3.6
209.13297	7.0
211.14828	6.4
213.16429	5.4
215.18048	3.8
221.13225	4.0
223.14825	4.1
225.16389	4.2
229.19499	2.0
231.20975	2.4
235.14682	2.8
235.16878	1.6
237.16357	4.1
239.17914	3.5
241.19592	9.9
243.21112	1.8
245.19264	1.6
251.18025	2.6
255.17564	1.6
257.19046	6.1
259.20624	13.3
261.18716	1.5
261.21863	2.0
263.20181	3.7
265.19547	1.5
271.20654	2.9
273.18484	5.2
275.20041	24.6
277.21674	4.1
285.22058	2.4
289.21674	4.1
289.78531	1.5
291.19565	3.2
293.21143	2.9
295.20386	1.7
297.22046	3.0
309.21899	2.0
313.21872	2.2
315.23129	3.9
325.25363	2.1
327.23059	2.9
327.40405	1.5
333.24149	12.2
339.26843	1.7
341.24805	3.4
349.23734	12.7
375.26688	1.6
389.27121	2.0
421.30862	3.3
433.20374	1.8
435.32391	4.0
437.34189	6.6
445.30682	2.1
449.15924	2.4
451.21411	2.2
478.19894	2.1
479.20715	2.4
485.32889	1.5
509.36084	1.9
511.37527	4.9
513.35815	11.5
515.38513	4.7
527.37183	7.7
528.98279	1.6
529.39282	2.3
533.39905	9.4
551.40942	8.9
553.39099	1.7
555.36847	2.1
565.24451	9.1
589.42725	3.7
597.44739	2.2
607.43494	48.5
608.43311	3.6
625.27155	33.2
625.44476	100.0
626.26508	5.7
626.44318	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01873	43.4
55.05509	45.3
57.03439	14.5
57.65337	5.3
65.03937	7.4
67.05501	100.0
69.07063	90.3
70.82371	10.7
79.05477	76.1
81.03414	14.4
81.07055	86.6
83.04968	12.4
83.08614	15.3
91.05470	75.8
93.07031	60.7
95.04974	20.6
95.08593	54.1
95.24029	5.5
97.06517	54.0
97.10177	15.0
104.71353	7.1
105.04504	5.6
105.07016	76.3
106.06420	6.5
107.04932	14.9
107.08580	35.5
109.06519	8.0
109.10161	16.7
111.08039	7.8
117.07008	34.7
119.08559	48.8
119.74165	5.7
120.04935	5.3
121.10113	20.2
125.09642	8.4
129.07011	22.8
131.08548	58.7
133.10092	40.9
135.11679	18.5
141.07005	6.2
143.08554	35.2
145.10123	49.4
147.11627	32.6
149.09593	10.3
149.13268	10.6
151.47032	6.9
155.08559	17.4
157.10118	27.2
159.11673	37.0
161.13252	20.5
163.11188	8.0
167.08496	9.8
169.10124	24.2
171.11653	27.9
173.13272	23.4
175.14787	9.8
181.10001	13.0
183.11681	24.4
185.13181	14.6
187.10994	8.0
187.14763	11.3
195.11748	14.6
197.13220	12.5
199.14824	15.8
201.16414	9.2
205.87875	5.9
209.13197	17.4
223.14816	8.7
241.19482	20.3
257.19098	11.0
259.20547	21.1
273.18561	7.3
275.20078	42.4
291.19507	12.6
333.24213	20.2
349.23676	26.0
435.32532	10.3
437.34076	15.2
511.37540	8.5
513.35870	7.7
533.39996	13.2
551.40906	10.5
607.43390	54.0
625.28992	13.3
625.44781	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03938	3.3
55.01868	10.6
55.05508	35.6
57.03442	9.0
57.07067	5.0
58.09172	1.0
59.04996	1.1
65.03928	3.8
67.05499	64.1
69.03413	1.7
69.07065	35.6
71.04976	6.1
71.08627	1.6
79.05488	47.3
79.05949	2.4
81.03420	4.0
81.07050	67.7
81.50584	1.0
81.80786	1.2
83.04986	5.3
83.08617	17.7
83.12255	1.2
85.06554	3.7
91.05470	49.7
92.05831	1.5
93.07035	44.7
95.04963	9.9
95.08602	41.3
97.06531	10.8
97.10143	8.8
99.08091	2.5
103.05468	2.4
105.04501	2.5
105.07019	42.3
106.68190	1.0
107.04953	3.8
107.08580	31.7
109.06528	3.6
109.10152	20.4
111.08052	5.2
111.11703	1.5
113.09680	1.8
115.05460	4.8
117.07010	23.9
119.08569	35.5
119.09416	2.0
121.06507	4.1
121.10139	18.2
123.08106	3.6
123.11686	7.5
125.09596	6.3
128.06233	5.1
129.07001	17.4
130.07793	2.0
131.08556	34.8
133.06506	2.7
133.10112	27.1
135.08080	3.9
135.11691	10.8
137.09653	3.3
137.13199	1.4
139.11159	2.5
141.06985	7.2
142.07782	4.9
143.08554	24.5
144.09378	2.5
145.06479	2.0
145.10114	29.2
146.87053	1.1
147.08070	2.2
147.11674	17.2
149.09642	6.3
149.13240	5.8
151.11154	3.7
153.06982	1.7
154.07762	2.7
155.08531	19.4
156.09328	3.9
157.10112	20.7
159.08115	1.4
159.11671	23.0
159.12933	1.9
161.09628	3.6
161.13194	10.0
163.11191	4.1
163.14815	1.9
165.07047	1.4
165.12730	1.4
166.07823	1.5
167.08536	6.1
168.09328	2.4
169.10118	20.2
170.10898	1.7
171.10251	1.5
171.11656	20.0
172.12366	1.2
173.09622	2.4
173.11783	2.1
173.13222	15.2
175.11212	2.6
175.14885	4.6
177.12810	3.0
179.08560	3.7
179.14282	1.4
180.09192	1.4
181.10092	11.1
182.10956	2.0
183.11668	19.1
185.09662	2.4
185.13249	13.3
187.11218	3.1
187.13354	1.8
187.14774	6.8
189.11282	2.8
189.12808	1.7
189.16420	2.6
193.10156	3.7
194.10820	1.9
195.11667	11.7
196.12408	2.0
197.13237	12.0
199.11423	1.1
199.14786	8.5
201.12859	1.5
201.16451	2.5
203.14302	1.5
205.10170	1.8
207.11684	2.2
209.13234	10.2
211.14877	8.3
213.12862	1.6
213.16365	5.8
215.14333	1.6
215.18027	2.9
219.11734	1.7
221.13263	4.9
223.14775	6.0
225.12671	1.4
225.16472	5.7
227.12811	4.7
227.18062	2.4
229.19554	1.5
233.13303	1.8
235.14905	4.2
237.16443	4.9
238.04292	1.1
239.18001	5.3
241.19508	4.8
243.15907	2.2
243.21017	1.2
249.16545	2.7
251.17967	2.0
253.19586	3.2
255.21106	1.4
257.19073	4.4
259.20514	7.5
261.22092	1.9
263.17831	1.4
265.19595	1.7
271.20560	3.3
273.18564	2.2
275.20029	9.2
277.21948	1.8
281.19061	1.3
283.20517	1.2
289.21942	1.4
297.22186	1.8
299.23495	1.2
301.21640	1.8
315.23389	2.2
321.21939	1.3
325.25177	1.3
327.23157	2.1
329.24741	1.7
333.24277	4.3
337.25226	1.9
339.23187	2.7
349.23819	5.8
363.26590	1.8
365.28494	5.6
367.26459	1.2
379.30005	2.8
383.29321	2.8
395.29739	1.2
403.30359	1.7
407.29291	1.5
421.31067	5.2
437.34164	1.8
439.32126	2.9
451.31958	1.1
495.34796	2.0
497.37067	1.6
501.35840	1.6
513.35779	20.6
514.36127	1.6
515.39075	6.5
527.37640	6.1
533.39984	12.1
537.35437	2.1
539.37878	1.3
551.41107	5.3
553.39008	2.0
555.36316	1.9
576.18616	1.2
589.42334	2.6
597.45209	1.9
607.43494	45.5
608.43903	4.6
625.44531	100.0
626.45026	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03932	4.1
55.01869	49.7
55.02141	2.6
55.05507	39.0
57.03437	12.4
57.07074	6.1
65.03937	5.2
67.05499	89.6
69.03423	3.5
69.07064	100.0
71.04984	4.3
71.08632	4.4
77.03919	2.1
79.05489	73.5
81.03407	8.3
81.07051	88.0
83.04979	10.1
83.08613	17.0
85.06548	3.0
91.05473	82.5
93.07039	67.3
93.43980	1.3
94.07364	1.5
95.01334	5.2
95.04971	20.9
95.08601	63.9
97.06525	50.5
97.10169	8.7
99.08109	4.6
103.05487	3.6
105.04511	5.3
105.07023	90.9
107.04951	18.0
107.08583	38.2
109.06490	8.1
109.10149	22.3
111.08083	3.4
115.05425	3.2
116.06244	1.7
117.07009	33.4
119.08570	61.1
121.06518	4.6
121.10141	22.5
123.04411	2.4
123.08060	8.1
123.11745	5.7
125.09618	6.1
128.06226	6.5
129.05522	1.7
129.06996	27.2
130.07809	2.5
131.08554	54.9
133.06512	1.8
133.10117	53.2
135.08066	4.8
135.11676	17.7
136.12099	1.4
137.09630	5.1
139.07558	1.6
139.11194	3.2
141.06938	11.3
142.07814	6.8
143.08549	34.1
143.09619	2.2
145.06497	3.7
145.10107	44.5
145.11209	2.5
147.08054	4.1
147.11676	35.0
149.09569	10.2
149.13240	10.5
151.11189	3.6
153.06996	2.5
154.07785	3.1
155.08527	21.6
156.09314	4.0
157.10110	31.7
159.08099	3.5
159.11687	36.2
161.09648	3.4
161.13254	22.4
163.11201	7.3
163.14845	3.2
165.07060	2.8
165.09135	2.0
166.07784	1.7
167.08542	9.1
168.09406	2.7
169.10118	20.9
170.10913	1.6
171.08069	2.9
171.10197	4.2
171.11652	34.5
173.09680	2.6
173.13243	21.5
175.11249	3.5
175.14838	8.7
177.12773	4.5
179.08586	4.5
179.14352	6.3
181.10123	12.9
182.10867	3.3
183.11655	20.6
185.09698	3.2
185.13222	21.8
187.11209	5.9
187.14787	10.0
189.12778	3.7
189.16434	2.8
193.10144	4.4
194.10889	1.7
195.11653	12.4
195.13419	1.7
197.13231	16.0
199.11182	3.7
199.14807	11.3
200.15501	1.3
201.12669	3.0
201.16380	3.5
205.21246	1.6
207.11687	6.9
207.13559	1.5
208.12392	1.5
209.13274	8.9
211.11264	1.5
211.14806	10.4
213.12816	1.6
213.16257	6.1
215.17967	2.8
217.19479	2.0
219.11790	1.6
221.13278	4.6
221.15285	1.4
222.14217	1.5
223.14932	7.7
225.16434	6.0
227.18059	2.6
229.19534	3.2
231.21062	4.0
233.13316	1.6
235.14842	2.9
237.16432	5.7
239.14267	1.9
239.17973	6.7
241.19460	18.7
249.16478	3.0
251.17926	2.6
251.68785	1.4
253.19743	1.4
255.17294	1.4
257.19019	10.3
259.20560	25.8
259.23166	2.1
265.19565	3.2
267.21014	1.4
273.18631	2.6
275.20056	52.6
277.21692	5.0
279.16089	2.6
279.21176	2.2
283.20621	1.6
291.19476	1.7
293.21164	4.5
297.22147	4.6
299.23654	2.3
311.23602	1.8
313.21640	3.5
313.25116	2.3
315.23181	6.8
321.22055	2.2
323.23672	3.1
327.23206	2.1
333.24240	23.4
337.25314	1.8
339.23334	2.1
341.24753	3.2
349.23651	33.6
350.24045	1.7
351.25696	2.3
353.24905	1.7
357.24246	1.5
365.24557	1.4
377.28378	1.8
391.29843	1.8
417.31796	2.1
419.33237	3.5
421.30972	2.5
433.30417	1.6
435.32590	9.1
437.34238	15.2
453.33591	2.0
455.35306	2.2
455.54251	1.7
475.35886	3.1
483.34378	2.4
493.36914	2.1
495.34814	2.1
497.37323	1.7
501.35776	2.3
505.40387	2.1
509.36087	4.5
511.37943	11.7
513.35645	10.8
515.38647	8.3
527.37085	6.2
529.38806	6.8
533.39917	13.7
537.35797	2.2
551.40875	8.9
555.36981	5.6
556.37616	3.8
565.27484	1.7
589.42743	1.7
597.45007	3.6
607.43512	58.2
608.43689	4.4
625.29980	8.1
625.44537	94.0
626.44940	8.9
634.91260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03937	4.1
55.01871	16.1
55.05508	42.7
57.03433	9.3
57.07061	4.3
59.05002	2.3
62.90113	1.2
64.31670	1.4
65.03928	6.0
67.05499	88.2
69.03418	3.3
69.07063	40.5
71.04977	6.7
71.08627	2.1
71.42445	1.5
79.05486	57.2
81.03415	3.5
81.07051	75.2
82.07385	2.0
83.04966	8.2
83.08619	20.5
85.06544	2.6
91.05473	59.7
93.07038	57.5
95.04960	16.3
95.08598	51.2
97.06525	13.4
97.10163	13.3
99.08106	3.2
103.05457	1.8
105.04516	3.9
105.07023	51.3
107.04943	7.2
107.08585	32.7
109.06511	6.1
109.10148	29.5
111.08085	5.6
115.05479	5.2
115.40845	1.2
116.06244	1.8
117.07008	28.8
119.08574	41.9
121.06529	3.4
121.10140	19.6
123.08084	5.5
123.11706	8.0
123.89655	1.3
125.09619	7.7
127.11228	1.7
128.06213	9.0
129.06996	23.7
130.07777	1.9
131.08560	37.3
133.06502	3.1
133.10129	30.2
135.08040	4.6
135.11707	12.2
137.09610	4.5
137.13263	1.3
139.11209	2.2
141.06972	12.1
142.07770	6.4
143.08543	29.7
144.09306	1.7
145.06418	2.9
145.10104	34.0
145.11203	1.7
147.08037	2.8
147.11667	18.0
149.09598	8.6
149.13245	7.5
151.11165	3.3
153.07011	1.6
154.07745	3.0
155.08551	19.5
156.09334	3.9
157.10106	31.1
159.08011	3.0
159.11679	23.6
161.09671	3.6
161.13268	9.7
163.11226	4.4
163.14787	1.7
165.06992	2.9
166.07788	1.6
167.08525	8.2
168.09308	2.4
169.10130	19.5
170.10890	2.3
171.08171	1.3
171.10225	1.0
171.11674	26.4
172.12119	1.7
173.09644	3.2
173.11838	2.4
173.13225	13.3
173.68988	1.3
175.11192	3.2
175.14905	6.6
176.59593	1.3
177.12766	1.9
179.08603	5.3
179.14395	2.3
180.09305	2.3
181.10109	15.5
182.10931	2.4
183.11656	24.4
183.13106	2.0
184.12454	2.3
185.09663	2.3
185.13239	17.8
187.11189	3.0
187.14787	6.2
189.11211	4.2
189.12737	2.5
189.16425	3.0
192.09283	1.4
193.10164	3.5
194.11017	1.9
195.11661	13.0
196.12431	2.3
197.13249	16.7
198.13959	1.3
199.11256	2.8
199.14801	11.0
201.12794	1.3
201.16417	4.1
203.14311	1.8
207.11713	5.7
209.13277	10.6
210.13951	1.4
211.14761	9.2
213.16434	5.9
215.14343	1.3
215.17882	3.0
217.10008	1.3
219.11757	1.9
221.13295	4.8
223.14835	10.2
225.16432	7.2
227.12688	3.9
227.17967	5.3
228.31195	1.4
229.14374	3.9
229.19502	2.3
233.13205	2.3
235.14851	3.3
237.16333	5.8
239.18004	4.6
239.30797	1.3
241.15958	2.0
241.19450	6.4
243.15779	1.7
245.18976	2.3
249.16534	2.0
251.18062	1.5
253.19685	4.0
255.17513	1.7
255.21107	1.5
257.19046	4.2
259.20581	8.8
263.17801	1.9
263.20416	1.4
265.19586	3.4
267.21173	2.2
273.18646	2.5
275.20117	9.9
279.21008	1.8
283.20560	1.6
291.19519	2.1
295.23969	1.5
303.65628	1.4
305.22311	1.3
309.21976	1.7
311.20197	1.8
311.23581	1.6
313.21564	2.3
315.23175	1.7
319.20386	1.5
323.23895	2.3
325.21591	2.0
327.23187	2.2
333.24393	6.1
339.23227	1.7
339.27426	1.4
349.23743	4.7
355.26431	1.5
363.26810	2.3
365.24509	2.0
365.28500	5.5
367.26440	1.6
377.29160	1.6
379.30057	3.7
381.31808	1.9
387.25275	1.3
395.29803	1.5
403.29858	2.2
421.31058	4.6
435.32230	1.9
439.32111	2.9
447.32709	2.4
453.33557	1.7
459.32553	1.6
495.34811	4.1
497.37064	1.5
509.36349	1.6
513.35736	18.1
515.38788	6.2
527.37354	5.2
533.40179	10.6
543.36353	1.5
551.40906	5.6
555.36987	2.5
565.27771	1.7
567.39990	2.3
589.42773	2.8
597.45093	2.7
607.43561	44.2
608.43860	4.1
609.45691	1.9
625.28998	3.9
625.44519	100.0
626.44727	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01869	23.6
55.05509	42.1
57.03432	16.4
57.07066	6.3
59.05009	2.5
63.15863	2.3
65.03938	6.0
67.05502	99.3
69.03423	4.3
69.06705	4.1
69.07065	51.7
71.04987	10.0
79.05483	66.5
80.05790	3.3
81.03433	12.2
81.07051	84.4
83.04979	10.0
83.08617	24.4
85.02893	2.9
85.06513	7.0
91.05466	65.6
91.05981	4.3
93.07034	62.4
93.07594	3.4
95.04950	19.9
95.08602	51.9
97.02859	2.4
97.06525	19.9
97.10163	15.3
99.08102	4.4
105.07020	53.8
107.04942	10.5
107.08582	38.8
109.06532	8.6
109.10137	35.2
111.08075	8.0
113.09666	3.0
115.05475	5.7
117.07011	25.8
119.08557	48.7
121.06510	6.8
121.10128	26.2
123.08070	4.8
123.11732	8.9
125.09632	9.8
128.06250	6.3
129.06999	29.9
131.08559	39.7
133.10117	35.0
134.10527	2.9
135.08060	6.4
135.11682	14.0
137.09615	4.4
139.11243	3.3
141.06976	9.8
142.07777	7.0
143.08554	32.4
144.09044	2.6
145.06412	4.2
145.10110	37.1
147.08041	2.7
147.11647	22.5
149.09616	14.6
149.13303	5.5
151.11124	4.5
153.06982	5.1
155.08556	23.6
157.10094	32.7
157.11198	2.6
159.08025	4.8
159.11685	33.4
161.09647	7.3
161.13268	14.4
163.11166	14.0
165.06982	2.7
165.12799	4.2
167.08594	10.6
168.09360	3.3
169.10127	27.7
171.11661	28.3
173.09712	2.9
173.11922	4.0
173.13245	17.0
175.11212	6.5
175.14856	7.1
179.08563	3.8
181.10078	15.9
182.10741	3.4
183.11679	22.5
184.12222	2.7
185.13248	19.6
187.14845	7.0
189.11238	3.6
189.12810	2.7
193.10130	6.9
193.12276	3.7
195.11690	13.0
195.13495	2.5
197.13255	19.6
199.11317	3.8
199.14856	11.4
201.12856	2.8
201.16489	4.4
207.11685	8.3
209.13235	14.1
211.14841	11.4
213.16380	7.7
215.18018	3.8
223.14876	10.6
225.16409	7.8
227.12791	7.8
227.18002	3.1
235.14752	6.1
237.16548	3.0
239.18114	5.1
241.19669	5.8
246.60506	2.5
247.14812	3.0
251.18030	3.6
253.19437	3.7
255.17371	3.2
257.18991	4.8
259.20587	10.9
267.15884	5.8
268.16434	2.7
273.18457	5.1
275.19983	14.0
283.15448	4.7
291.19623	7.6
297.22214	3.3
313.21512	3.0
315.23401	3.9
323.23807	4.1
333.24179	7.4
337.25439	2.6
349.23981	8.0
365.28384	5.6
379.25879	3.1
421.30945	6.9
439.32315	4.2
452.76645	2.9
495.34680	3.1
513.35681	29.0
515.38959	7.3
527.37329	5.4
532.56354	3.0
533.39642	17.9
551.40594	14.8
558.34967	4.3
574.48853	3.0
589.42944	3.5
597.44891	3.2
607.43341	53.9
608.43652	8.0
625.32538	12.4
625.44513	100.0
626.44861	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01867	7.5
55.05507	32.6
55.93690	1.1
57.03437	6.5
57.07072	3.4
59.04988	1.8
63.76259	1.2
65.03927	3.5
67.05497	52.4
69.03429	4.2
69.07061	24.1
69.10349	3.0
69.10755	5.5
71.04991	4.3
79.05487	38.2
79.05947	2.5
81.03428	3.6
81.07050	52.1
82.07443	1.2
83.04977	5.5
83.08613	17.0
85.06538	3.6
91.04608	1.3
91.05472	33.9
93.07037	33.4
93.07604	2.3
94.06423	1.2
95.04985	6.4
95.08602	31.2
96.08937	1.3
97.06527	10.0
97.10175	13.4
99.08112	2.3
102.26304	1.2
103.05481	2.4
105.04526	2.2
105.07024	29.8
107.04956	4.1
107.08580	22.8
107.38977	1.2
109.06551	2.9
109.10143	15.8
111.08080	2.8
115.05466	3.5
116.72096	1.2
117.07003	16.4
119.08573	25.5
121.06492	2.5
121.10136	12.1
123.08100	3.3
123.11697	12.4
125.09616	9.6
128.06232	5.8
129.06982	18.5
129.07848	1.7
129.44269	1.2
130.07779	1.5
131.08559	26.1
133.10112	21.1
135.08040	2.7
135.11670	7.4
137.09650	2.4
141.06996	9.4
142.07808	5.2
143.08551	24.2
143.09624	1.8
145.06470	1.5
145.10135	20.9
147.11662	10.9
149.09663	2.8
149.13240	3.2
150.80774	1.4
151.11142	2.1
153.06979	1.6
153.12733	2.0
154.07776	1.7
155.08542	15.1
156.09355	3.9
157.10115	21.4
159.11685	15.8
161.09602	1.8
161.13205	6.7
163.11208	2.2
163.14853	1.6
165.06978	1.7
167.08527	7.0
168.09335	2.2
169.10110	14.6
171.11696	15.3
173.13223	10.2
174.38129	1.5
175.14851	3.6
179.08585	3.4
180.09273	1.7
181.10103	8.9
182.10884	1.8
183.11671	18.2
185.13232	11.9
187.11229	1.5
187.13287	2.8
187.14865	6.0
189.11186	5.8
189.16367	1.5
193.10199	4.7
195.11664	9.1
196.12346	1.5
197.13242	14.3
199.11176	1.6
199.14804	9.4
201.12477	1.3
201.16391	2.6
207.11729	3.4
209.13295	7.1
211.14825	9.1
213.16422	5.2
215.17934	2.5
221.13260	3.8
223.14867	6.0
225.16283	7.5
227.12639	6.8
227.17982	3.7
233.13148	1.6
235.14859	2.4
237.16434	3.7
239.17992	4.0
241.19543	5.1
243.16013	5.5
243.20966	1.4
249.16472	2.5
251.17944	2.2
253.14366	1.8
253.19803	1.8
255.21161	1.5
257.19064	2.9
259.20596	3.2
265.19473	3.5
267.20941	1.4
271.20575	1.4
273.18451	1.8
275.19907	5.7
279.21222	1.5
281.22656	1.4
301.21542	1.9
309.22177	1.4
311.23489	2.4
315.23529	1.7
323.23804	1.7
333.24289	1.9
335.23544	2.0
349.24033	4.8
365.28387	11.9
379.30115	1.5
381.31625	4.0
383.29654	6.0
421.30994	4.1
439.32278	3.6
497.37411	1.3
513.35693	12.6
515.38660	7.6
533.39716	9.0
537.35553	1.8
551.40826	6.3
553.38416	2.2
555.36615	2.1
607.43506	35.0
607.53339	2.1
608.43915	1.7
625.44543	100.0
626.45203	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	626.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
50.63135	0.2
51.02382	0.6
53.03944	1.1
55.01865	0.3
55.05524	0.4
57.03431	0.7
67.05492	0.6
69.03426	3.1
69.07065	0.9
69.82954	0.7
70.04073	43.7
71.04988	0.5
79.01853	2.6
79.05501	0.4
81.03415	7.9
81.07060	1.2
83.04916	0.3
85.02905	3.1
85.30847	0.2
93.07010	0.7
95.04989	0.4
95.08621	0.9
97.02892	7.1
97.06509	0.6
99.04454	1.1
105.03362	0.8
105.07012	0.3
107.01317	1.9
107.08604	0.6
109.02868	5.2
109.10145	0.3
111.04507	0.3
115.07592	0.6
119.08560	0.5
121.10157	0.6
123.00882	0.3
123.08054	0.4
123.11705	0.5
125.02364	3.2
127.03904	8.0
127.07517	0.3
137.05925	0.3
143.03386	4.8
145.04968	2.1
145.19199	0.3
147.08124	0.3
147.11765	0.3
153.01816	100.0
153.02858	4.2
154.02174	1.8
167.06923	0.4
171.02878	16.2
172.03255	0.4
184.25774	0.3
225.10818	0.3
237.03848	0.4
279.04993	0.4
297.06024	11.4
298.06213	0.3
315.07043	12.1
316.07553	0.5
377.22861	0.9
378.23145	1.1
384.10135	0.3
407.00241	0.3
432.79108	0.3
582.29205	1.1
625.27393	0.5
626.28455	4.0
627.29968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99399	0.7
56.57936	0.6
62.71550	0.6
65.41446	0.6
69.03423	1.1
70.48519	1.5
73.62314	0.7
74.31620	0.6
81.03410	1.4
85.02876	2.3
87.00835	0.9
88.57411	0.6
91.05441	1.4
95.08614	0.7
97.02894	1.0
98.22782	0.9
103.05456	7.0
107.08631	0.7
117.07029	1.6
121.06532	0.8
122.03650	1.6
127.03902	1.3
128.06221	0.8
131.04916	14.2
135.14192	0.6
137.05962	17.8
143.08540	0.9
151.07547	5.3
161.05954	1.5
162.06717	2.3
163.07527	37.1
164.07895	1.5
171.08047	0.9
175.07516	3.2
175.11140	0.9
177.09097	100.0
178.09447	2.3
189.09166	1.2
194.07185	0.8
195.10141	2.5
203.10727	1.0
221.11708	18.2
233.15186	0.9
251.16386	1.6
267.10156	0.9
299.12888	1.3
311.12753	2.2
313.14218	0.7
331.15338	2.8
343.15201	1.7
411.28799	1.3
429.30103	1.5
475.18939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46114	1.1
53.03919	1.8
55.01863	2.7
56.72140	1.1
58.95345	1.3
67.05508	1.7
69.03430	9.7
69.07027	1.4
71.04974	1.3
79.05486	2.0
81.03429	7.8
81.07047	3.3
84.17892	1.3
85.02899	15.2
87.00814	5.9
91.05445	2.1
97.02877	5.9
99.04464	1.6
101.91334	1.3
105.01855	4.8
105.07047	1.4
108.17454	1.5
109.02879	5.1
115.05470	2.8
121.10140	1.4
123.08026	2.5
127.03917	9.6
129.06996	8.1
131.04959	1.9
131.08554	5.6
135.04401	2.5
137.05963	7.2
141.06969	4.5
143.08502	2.6
145.04935	4.0
153.01781	3.5
157.06506	4.2
158.07277	2.5
159.02861	3.2
159.07991	8.2
161.09576	1.8
169.06464	2.1
170.07256	1.3
171.08015	4.6
174.06776	13.1
175.07547	4.2
186.06732	3.2
189.09099	26.9
191.10634	3.4
201.09093	10.2
203.10664	9.2
219.10143	100.0
220.10512	3.1
231.05029	2.4
249.14714	1.3
301.17960	2.9
302.18149	2.6
303.19427	3.2
304.19772	3.0
318.46286	1.5
409.27798	1.5
428.28583	3.1
446.29901	2.4
517.79114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91747	1.6
53.03942	2.8
55.01858	5.1
57.01347	1.9
57.03432	2.7
61.02928	2.6
69.03431	17.0
69.18076	1.8
69.33065	11.2
70.74165	1.7
71.04986	3.2
73.02897	3.2
79.05458	3.4
81.03431	15.5
81.07050	3.9
85.02905	43.4
87.00825	16.5
91.05457	13.6
93.07039	2.4
94.04122	3.1
95.04975	5.9
97.02884	18.3
98.23417	4.2
99.04424	5.8
103.05441	3.9
105.01868	13.8
105.07021	5.4
107.04965	3.7
109.02864	12.7
109.06487	2.2
115.03893	3.0
115.05476	2.7
119.04934	12.4
121.06529	4.3
122.03627	3.6
124.01111	1.9
127.03895	22.7
129.01816	2.5
129.07018	11.6
131.04913	6.4
131.08566	5.3
133.06418	2.1
135.08009	3.9
137.05965	75.3
138.06331	2.2
141.07037	4.6
145.04938	10.6
145.06540	3.1
147.04468	2.2
149.05975	10.5
151.03922	5.0
151.07538	61.7
157.06505	12.2
159.02885	5.8
159.08041	4.7
161.05965	12.0
161.09552	2.6
163.07556	18.7
165.06990	3.5
165.09314	2.6
165.75471	2.1
167.07198	2.4
167.08588	6.5
169.06459	2.8
171.07951	2.4
174.06783	11.5
175.07500	14.1
177.09105	11.8
179.08604	2.1
187.07501	2.6
189.09077	40.5
193.06445	3.4
193.10143	4.1
195.08101	11.4
195.10097	2.3
201.09085	8.7
203.06960	2.5
203.10704	7.3
207.10164	5.8
209.09744	3.1
212.08203	2.6
219.05014	2.8
219.10150	68.8
220.10649	2.0
221.06050	3.7
221.09656	4.9
223.07593	7.3
225.09128	7.0
227.10684	16.8
231.04984	4.0
239.06996	2.0
240.07813	2.4
249.09006	4.4
249.11334	5.7
253.08586	6.7
253.12244	10.4
255.10178	19.4
267.10242	4.6
269.08255	3.3
269.11417	2.4
279.10031	3.3
281.11810	4.7
285.11084	13.7
287.12769	29.6
293.11752	2.4
297.11203	7.3
299.12790	10.3
307.09717	2.1
309.11121	3.0
311.12677	7.1
313.14343	26.5
321.11127	2.4
323.12769	2.3
325.14462	2.5
331.15356	100.0
332.15649	5.4
341.13974	2.4
343.15433	21.5
355.15317	4.3
367.15530	3.9
379.15375	3.0
397.15955	2.6
403.15512	2.7
421.16278	7.7
426.69736	2.1
439.17792	2.6
525.17920	2.3
543.18451	3.9
561.19653	3.4
567.78687	2.5
587.85596	2.1
627.25464	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	626.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01867	17.8
55.05507	47.7
55.05779	2.5
55.27927	2.1
56.69652	2.2
57.03433	27.2
57.53416	2.0
59.04993	4.7
61.02916	2.8
65.03939	4.1
67.05500	60.8
68.05872	2.0
69.03422	8.3
69.07065	13.4
71.04987	12.5
73.02881	2.8
79.05490	67.2
79.05947	5.1
81.03411	79.1
81.07050	65.5
83.01322	11.9
83.04972	36.5
83.08614	41.2
85.02898	28.1
85.06534	3.5
91.05470	59.8
93.07039	55.8
95.04958	37.3
95.08630	22.7
97.02879	12.5
97.06507	12.0
97.10159	15.9
98.23501	6.0
99.04460	4.3
99.08102	3.4
102.42749	2.2
103.59731	2.3
103.60409	2.1
105.04511	2.4
105.07025	39.1
107.04959	17.8
107.08577	29.3
107.09134	2.2
109.06499	14.0
109.10167	12.4
111.04437	14.2
111.08066	16.3
113.06004	2.6
115.05410	2.7
116.67227	2.3
117.06977	16.7
119.04900	2.2
119.08564	35.4
121.06520	8.6
121.10129	19.8
123.08070	13.3
123.11720	3.4
125.06034	2.9
125.09633	7.5
129.06992	16.5
130.07761	3.8
131.08540	17.9
133.06506	6.1
133.10143	16.1
135.08081	8.1
135.11647	15.0
137.09642	9.3
138.94618	2.2
141.01219	2.5
142.07762	5.3
142.35941	2.2
145.06499	5.0
145.10109	24.8
147.08075	9.6
147.10638	3.2
147.11681	18.7
149.09627	9.7
153.12785	8.8
157.10117	17.7
159.08051	11.0
163.07611	3.3
163.11160	38.7
165.12708	2.4
166.53560	2.1
169.10030	2.8
172.45050	2.3
173.09671	6.0
175.11192	14.0
181.12238	8.0
189.11261	5.9
191.10727	8.5
193.12233	52.3
201.17094	1.9
209.11720	23.6
211.13274	81.8
227.12785	24.7
261.18613	3.2
263.16403	2.3
267.15894	26.9
271.16888	6.9
283.15344	47.8
285.16962	82.7
286.17230	2.7
289.18036	19.4
307.19107	11.2
308.73346	2.1
363.21722	6.0
381.22635	29.8
414.17862	3.3
454.21420	4.5
457.26199	3.3
461.06879	2.5
475.26828	22.6
493.27939	100.0
494.28433	8.7
555.33118	4.7
573.34375	9.8
585.31451	2.9
591.35229	20.6
603.32019	13.7
618.89612	2.8
626.32239	94.3
627.32123	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	626.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.7
55.05509	45.3
57.03430	26.9
65.03920	3.8
67.05499	56.7
69.03430	10.8
69.07064	22.8
70.50171	7.0
71.04986	8.8
79.05483	59.8
81.02959	6.7
81.03414	97.8
81.07049	59.5
83.01349	5.7
83.04971	44.0
83.08620	40.6
85.02905	27.3
91.05460	52.3
93.07040	54.8
95.04962	41.0
95.08604	16.2
97.02901	6.8
97.06520	11.6
97.10174	15.3
105.07024	37.1
107.04945	19.1
107.08595	28.8
109.06496	11.3
109.10138	12.5
111.04440	10.8
111.08064	16.8
114.02984	4.6
117.07017	16.6
119.08563	38.0
120.82018	3.8
121.06509	4.1
121.10129	21.2
123.08058	12.5
125.09602	8.6
129.07004	13.9
131.08553	17.9
133.06508	6.7
133.10115	11.9
135.08054	12.5
135.11667	11.2
137.09608	11.7
144.47261	4.5
145.06467	5.4
145.10078	18.0
147.08063	5.1
147.11647	12.4
149.09608	9.1
153.12848	3.6
157.10037	18.0
159.08060	10.1
163.11182	26.8
173.09590	9.9
175.11165	17.9
193.12251	54.6
209.11742	4.4
211.13261	66.3
227.12785	17.5
261.18546	8.3
267.15952	22.5
271.16995	8.9
283.15341	38.4
285.16910	69.5
289.17923	36.8
307.18942	6.5
363.21603	11.0
374.34708	3.8
381.22595	17.4
435.05020	4.9
457.25909	3.8
475.26859	13.6
493.27936	100.0
555.32770	7.4
573.33844	22.5
591.35187	26.1
626.31793	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	626.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01859	15.4
55.05298	4.2
55.05510	48.2
57.03420	16.1
65.03939	4.4
67.05503	72.2
68.05813	4.7
69.03419	4.7
69.07063	37.7
70.07378	6.5
71.04978	12.9
79.05482	66.7
81.03411	58.5
81.07049	100.0
82.07351	5.0
83.04961	14.6
83.08603	27.3
85.02901	5.8
91.05469	74.7
93.07041	59.3
94.07381	4.9
95.01283	5.0
95.04963	34.4
95.08602	48.3
97.06512	26.8
97.10159	10.4
99.68772	3.4
105.07023	75.4
106.07321	4.2
107.04952	17.9
107.08581	32.9
109.06510	12.7
109.10130	22.8
111.08064	11.5
113.09644	4.5
115.05460	4.5
117.07014	19.7
119.08579	50.8
121.06481	6.0
121.10155	23.1
123.08045	8.8
125.09597	9.2
129.05486	4.3
129.06961	13.0
131.08563	39.0
133.06503	5.0
133.10103	45.0
134.10449	6.2
135.08092	4.4
135.11667	16.6
142.07782	5.9
143.08542	9.2
144.08969	4.8
145.10104	24.7
146.10443	4.0
147.08038	5.1
147.11658	26.7
149.09581	16.5
149.13220	7.9
151.11185	8.2
155.08473	7.9
157.10103	17.3
159.11676	21.0
160.12140	4.6
161.09560	4.7
161.13249	8.4
163.11150	14.4
169.10069	10.4
170.10329	4.2
171.11632	11.7
173.13231	7.1
175.11150	9.7
177.12688	5.3
179.14233	10.9
181.10226	5.4
183.11656	6.6
184.99831	4.4
186.13553	4.2
193.12225	16.3
195.11736	5.8
197.13298	5.5
198.72005	4.6
211.13240	9.6
216.95731	4.2
223.13197	8.2
239.18060	4.7
257.18951	8.5
264.52075	3.5
267.15887	54.5
268.16254	4.4
269.17380	4.3
275.20029	56.9
276.20370	6.1
277.21255	4.7
285.16913	10.6
293.20969	5.5
297.16910	9.3
349.23688	34.5
381.26282	6.2
443.27078	4.6
491.29660	11.3
514.36041	5.5
541.35229	99.2
542.35565	5.6
581.31195	5.8
608.43805	17.7
626.45178	55.0
627.34485	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	627.1552
Annotation	Quercetin 3-gentiobioside
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.8
56.86129	0.4
57.03431	1.1
61.02917	1.1
68.99802	0.5
69.03418	2.5
69.50188	1.5
70.06583	0.5
73.02906	0.7
81.03394	2.1
85.02894	11.9
91.03960	0.7
97.02894	3.7
98.23380	0.8
99.04448	0.8
103.54694	0.3
106.89467	0.4
107.04963	0.4
109.02850	1.6
111.00785	0.8
121.02876	0.7
127.03875	2.2
137.02330	3.8
141.91747	0.4
145.04938	3.0
153.01808	4.4
155.04916	0.5
163.03929	0.5
165.01813	2.3
173.05855	0.7
183.02849	0.7
183.04361	0.5
201.05501	1.6
219.02956	0.5
219.10188	1.3
229.04924	4.6
247.06001	1.1
257.04425	2.6
274.04657	0.8
283.84555	0.4
285.03870	1.3
295.59177	0.4
303.04953	100.0
304.05215	2.0
315.04895	0.8
345.05939	1.5
366.48373	0.4
465.10394	0.6
560.33990	0.5
582.32410	0.4
624.05627	0.5
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
53.03930	0.3
55.01871	0.5
57.03424	0.6
61.02912	0.8
67.38849	0.2
68.99804	0.5
69.03416	2.1
69.14626	0.2
70.06573	0.3
71.04982	0.4
81.03404	1.3
84.04491	0.4
85.02406	0.4
85.02901	6.5
91.03939	0.4
94.03806	0.2
97.02888	2.5
99.04436	0.5
105.03376	0.2
107.04959	0.6
109.02875	0.6
121.02867	2.4
125.02353	0.3
126.86854	0.2
127.03916	1.3
130.04971	0.4
131.04922	0.4
133.02823	0.4
137.05997	0.3
145.04959	1.0
145.06482	0.2
147.07643	0.3
151.03886	0.3
153.01819	1.7
159.04372	0.6
169.01318	5.2
171.02901	0.3
173.06052	0.3
175.03712	0.4
181.01263	1.1
181.05045	0.2
183.04382	0.5
185.00816	0.5
195.02908	0.3
201.05515	0.5
213.05550	0.2
229.04993	0.6
247.06004	0.5
257.04388	0.9
274.04660	1.0
275.05426	0.3
285.03885	0.7
303.04956	100.0
304.05426	2.6
319.04626	0.3
364.96024	0.2
411.09705	0.3
465.10260	25.3
466.10782	0.8
489.12802	0.3
587.31714	0.3
601.16296	0.2
627.20508	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91603	0.2
56.66458	0.2
61.02883	0.2
69.30468	0.5
69.30869	0.6
73.94334	0.2
83.52796	0.2
93.07043	0.2
95.08582	0.3
105.07008	0.3
109.10142	0.2
137.05991	0.3
153.01807	3.5
153.45900	0.2
154.02110	0.3
175.03644	0.5
177.05249	0.3
189.05222	0.5
203.03093	0.3
203.06784	0.6
204.07526	0.9
205.04710	57.5
206.05089	0.9
213.16473	0.2
217.08362	2.4
218.05466	2.3
219.06297	0.7
223.05629	0.4
232.07077	1.9
246.07269	0.2
249.07326	0.6
287.19916	0.7
332.15802	0.5
382.14026	0.4
406.00259	0.2
415.13574	2.7
429.09973	0.4
429.15210	3.5
430.15866	2.1
431.16797	0.9
465.31937	0.4
579.22058	0.6
627.24042	100.0
628.24432	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	627.2806
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.79364	1.1
59.84732	1.1
67.05493	1.7
69.75773	4.2
75.52213	1.1
76.29781	1.0
91.05510	1.2
94.02936	1.2
98.22887	2.8
98.23441	1.3
136.07590	1.3
149.02292	1.7
155.12709	1.4
174.09166	5.3
187.08681	2.0
187.12268	6.6
188.10724	3.1
192.86513	1.2
193.04933	1.9
199.08476	1.5
208.22589	1.1
211.08623	2.6
213.10228	1.9
215.11812	4.7
223.08716	1.9
225.10237	5.0
226.11086	1.3
227.11826	5.0
235.08542	1.5
238.10823	1.5
239.11659	2.4
241.13344	3.4
243.11234	25.8
248.09691	1.3
249.10300	3.3
251.11655	2.5
253.09804	1.8
262.69409	1.2
265.09714	1.2
267.11215	9.0
269.09167	1.4
269.12823	2.6
277.09750	2.3
285.12299	2.9
295.10956	3.2
299.14148	1.2
301.15500	3.5
309.12476	3.6
314.13312	1.5
325.15372	12.3
325.18640	1.5
326.13062	1.5
327.13522	7.5
328.10770	2.9
329.11536	1.8
329.15167	1.5
330.12454	4.4
331.12961	1.7
331.85803	1.3
334.15540	1.6
341.11649	2.0
342.12402	4.8
342.15952	1.3
343.13217	4.4
344.13849	4.2
345.14542	1.3
346.15402	2.8
348.13364	3.0
351.13470	1.9
356.13995	4.0
357.14755	2.5
358.15463	4.3
370.15756	1.2
372.17059	4.9
386.14542	2.0
386.18851	2.5
397.92520	1.2
398.15063	1.4
400.16473	2.2
403.15964	1.7
407.15372	1.8
416.16486	1.6
418.17502	3.2
422.17758	1.6
430.17691	2.1
431.18625	1.7
432.19458	2.7
435.18820	1.5
447.22095	2.8
449.20084	2.9
451.16672	2.3
462.24323	2.4
463.21527	3.2
465.18594	14.0
466.19351	2.1
475.20975	1.4
477.18909	2.4
478.19934	2.0
479.20276	5.5
480.21277	4.7
481.22363	4.3
489.22824	2.3
491.20313	1.9
492.21481	3.8
493.22519	7.3
494.22888	1.5
504.21533	2.3
507.23859	3.5
517.22327	1.9
520.21136	1.7
521.22247	1.4
535.23395	5.2
549.25024	13.1
553.24414	2.1
563.22552	1.7
567.25922	77.2
568.26300	4.3
577.24377	1.8
595.25421	53.3
596.25757	3.0
627.28015	100.0
627.36353	4.1
628.28485	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	627.2807
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.40037	1.0
53.03929	1.1
55.01857	1.5
55.05506	3.1
57.03431	1.3
67.05495	7.0
69.07062	3.0
70.02953	0.9
71.04968	0.9
79.05484	4.5
80.04988	0.8
81.03378	1.9
81.07044	6.4
83.04984	1.7
83.08618	2.2
90.17692	0.9
91.05466	5.8
93.07041	3.7
95.04967	3.6
95.08605	2.6
97.06521	1.0
98.23580	1.9
100.28596	0.8
105.07020	4.8
107.08601	3.1
109.06494	1.4
109.10176	1.6
111.08061	1.9
117.07006	1.5
119.08543	2.3
121.10146	1.9
125.09573	0.9
129.07019	1.5
131.08559	2.2
133.10147	2.8
136.07657	1.7
143.08563	1.1
145.10074	1.6
147.11700	1.9
159.11757	1.2
161.09668	1.1
163.11183	1.4
169.10138	1.0
172.09917	1.1
174.09155	5.5
182.09654	1.4
185.07083	0.9
187.08789	1.1
187.12318	5.7
188.10677	3.0
199.08687	1.1
211.08595	1.5
215.11786	4.1
224.09450	1.3
225.10268	3.1
226.10921	0.9
227.11839	2.3
235.08650	2.2
237.10236	1.8
239.11844	3.1
241.09778	1.1
241.13454	2.5
243.11273	28.8
249.10362	2.1
251.11864	1.6
253.09853	2.3
267.11267	6.1
267.15942	1.4
269.12885	2.2
277.09775	2.7
285.12436	2.3
291.11136	1.0
295.10825	3.9
300.11469	1.8
301.15656	1.5
302.12793	1.5
313.12045	1.0
314.12939	2.2
316.14456	1.1
318.12512	1.3
325.15454	10.6
327.13531	3.3
328.11142	1.8
328.14471	2.1
329.11450	1.9
330.12411	4.2
330.15955	2.0
331.13074	1.9
342.12476	2.9
343.13150	4.2
344.14005	3.8
345.14819	1.9
346.15497	3.1
348.13513	4.8
355.13104	1.6
356.13937	4.2
357.14713	2.1
358.15503	3.5
362.14728	1.2
370.15417	2.5
371.16245	1.4
372.17081	5.3
374.14877	1.8
384.13266	1.4
386.14545	1.8
386.18793	2.0
400.16635	2.3
403.16074	1.2
405.17194	1.2
417.16687	1.4
421.17062	1.2
422.17587	2.1
428.16165	1.3
430.17096	1.3
432.19049	3.3
435.13968	1.9
436.19498	1.6
437.19754	3.5
440.64050	1.0
444.19397	1.3
447.21738	3.8
448.15088	1.4
449.15665	1.9
450.16617	2.4
451.17621	2.7
460.18582	2.1
461.23459	1.8
462.23886	3.2
463.21262	4.2
464.18250	1.2
465.18735	16.8
466.19598	1.2
477.18796	1.2
478.19736	1.7
479.20575	6.3
480.21545	5.1
481.22272	4.1
489.22467	1.8
490.20972	1.9
492.21585	4.4
493.22214	3.7
494.23221	1.1
504.20935	1.8
506.23010	1.4
507.24109	5.7
508.21152	2.8
517.22046	2.6
520.20959	1.3
535.23303	7.5
539.26392	2.0
549.24988	14.3
553.24493	2.0
563.23035	1.6
567.25970	93.9
568.26233	4.4
577.24298	2.3
595.25439	100.0
596.25665	3.3
627.27985	46.5
628.28064	1.6
640.60516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
61.98547	0.5
64.01297	0.5
67.05518	0.6
69.07054	1.2
69.27406	2.9
79.05499	1.2
81.03393	0.8
81.07063	1.1
91.05445	1.0
93.07015	1.3
95.08596	1.2
97.02866	0.6
97.06523	0.7
97.29211	0.5
105.04541	0.6
105.07021	1.2
107.08579	0.6
109.02882	0.6
109.06371	0.6
109.10123	0.9
119.08569	0.6
121.06515	0.6
121.10161	0.9
127.03922	0.6
137.05922	0.9
153.01813	0.8
165.08923	1.2
167.06985	3.8
181.04965	1.1
185.16240	0.5
225.10945	39.6
226.11371	1.0
235.13002	0.6
245.06371	2.3
277.08096	0.6
289.05466	0.7
314.52795	0.6
339.17767	2.1
361.23453	6.6
370.62497	0.6
379.24738	2.9
381.18793	6.7
417.15579	0.8
425.17795	3.3
523.28693	0.8
541.29846	4.3
573.27008	0.6
583.30835	35.3
584.31232	2.1
609.28815	1.5
627.29785	100.0
628.30463	5.4
631.78552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17187	0.6
55.05505	1.8
67.05502	1.8
69.27370	3.0
69.30727	0.8
79.05488	1.3
79.61608	0.7
81.05797	1.0
81.07050	4.2
85.02898	1.1
85.20110	0.8
86.13486	0.7
91.05450	2.1
93.07040	2.5
95.04958	1.0
95.08573	1.3
96.08115	3.6
97.06535	0.9
97.10176	1.8
98.23388	1.7
105.06998	1.1
107.08593	4.7
109.10134	1.6
119.08581	1.4
121.06480	0.8
121.10164	0.9
122.06004	1.3
124.07588	17.0
125.09628	9.7
129.06955	0.8
131.08534	1.3
136.07567	44.8
137.07852	0.9
138.09120	1.7
143.10661	4.3
153.01764	1.3
157.10103	0.8
159.08017	0.7
159.11682	0.8
161.09515	1.1
164.07054	98.1
165.07420	1.7
173.09564	1.9
182.08116	100.0
183.08398	1.3
200.10767	1.5
201.12560	0.9
209.01474	0.7
217.13408	1.3
227.11661	1.0
232.29411	0.8
241.15942	1.3
242.11714	1.0
245.12834	8.2
259.14240	0.9
269.18958	3.4
271.17163	0.8
287.13931	8.3
287.20013	6.4
303.04901	4.4
305.14935	18.1
323.16074	4.4
411.28983	5.7
429.29941	10.3
447.30829	2.8
465.09824	0.9
465.32056	2.2
532.49677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51487	0.5
53.03949	0.8
55.05502	1.8
55.14133	0.7
58.36544	0.9
59.89124	0.6
67.05496	2.1
69.03414	1.5
69.07057	6.2
69.25508	2.2
69.25914	1.1
71.04968	0.6
71.08600	0.6
79.05490	4.5
81.07050	26.4
83.08585	0.9
85.02882	3.0
87.04465	0.8
91.05464	2.7
93.07031	4.6
95.04893	0.7
95.08592	6.0
97.10148	1.1
99.08089	6.8
105.07003	4.6
107.08585	14.8
109.06503	1.3
109.10132	3.1
111.08157	0.7
111.10976	0.6
119.08575	2.3
121.06503	0.8
121.10103	2.0
123.08027	0.9
125.09621	39.8
126.09963	1.1
127.03922	0.7
129.06984	1.5
131.08546	2.8
133.10109	2.7
135.11646	1.5
137.05962	1.4
137.09682	0.8
143.08665	3.3
143.10660	28.1
145.10133	4.3
147.08028	1.3
147.11697	3.5
149.09560	0.8
153.01817	2.5
155.08531	1.6
157.10126	2.3
159.11687	2.1
159.46358	0.6
161.09622	1.3
169.10147	1.2
171.11702	1.3
173.09618	1.9
173.13271	1.3
175.11194	2.4
181.10121	1.1
183.11702	2.4
185.13287	1.8
187.11171	1.6
195.11699	3.5
197.09570	0.8
197.13206	1.4
199.11203	1.0
199.14745	1.4
201.12767	2.0
201.75174	0.6
205.04716	1.0
209.13220	2.9
211.14844	1.7
213.12720	1.1
213.16490	0.7
213.69978	0.6
215.14291	0.8
223.14833	1.7
225.16399	1.1
235.14804	0.9
236.15511	0.9
239.14165	1.0
239.17908	1.6
241.15807	1.4
241.19496	2.4
251.17938	7.5
254.16507	1.0
259.16855	1.2
261.16238	0.7
267.17331	1.4
269.18973	31.5
270.19241	1.6
278.25311	0.7
285.18533	4.5
286.19250	3.8
287.20032	100.0
288.20422	4.2
331.15051	0.7
331.22418	0.7
332.15732	1.6
375.26526	0.9
393.27936	3.6
403.33139	0.6
411.28915	16.2
412.29037	1.1
429.29877	2.9
449.25073	0.9
464.84195	0.8
573.34033	1.8
627.23804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93075	0.7
55.01849	1.0
55.05501	1.9
61.02932	1.3
65.03944	0.9
66.89938	1.0
67.05496	4.2
68.42110	0.9
69.03413	3.0
69.07059	8.7
71.04975	1.1
77.87206	0.8
79.05490	5.7
81.03402	1.6
81.07049	27.6
83.04976	1.3
83.08617	1.4
85.02893	5.9
87.04462	1.1
91.05474	3.9
93.07051	5.7
95.04955	1.9
95.08609	8.2
97.02884	1.5
97.06525	1.3
99.08087	5.7
100.22718	0.9
105.07039	6.1
106.24037	0.8
107.07916	1.7
107.08588	18.1
109.06473	2.1
109.10160	6.9
117.06976	1.4
119.04913	1.1
119.08569	3.9
121.06483	2.4
121.10132	3.5
122.03636	1.0
123.08055	1.5
125.08700	1.9
125.09620	35.2
129.06973	1.2
131.04958	1.1
131.08521	2.3
133.06502	1.9
133.10117	4.3
135.08029	1.1
135.11668	1.8
137.06021	4.5
137.06978	0.7
137.09665	0.9
138.06320	1.5
138.09166	1.3
143.08548	4.1
143.09520	1.4
143.10661	25.2
145.05008	1.2
145.06284	0.9
145.10091	5.6
147.08041	2.3
147.11661	5.0
149.05934	1.3
149.82591	1.0
151.07506	4.3
151.15628	0.9
152.07886	2.2
153.01826	1.2
155.08572	2.2
157.10103	3.5
159.08066	1.2
159.11688	2.6
161.05943	3.2
161.09575	1.9
165.12740	1.1
167.07106	0.8
167.08580	1.2
169.10129	2.0
171.11636	1.7
173.09602	2.7
173.13208	1.4
175.11169	4.8
177.09039	1.3
181.04898	1.1
183.11641	1.9
185.13194	2.0
187.11198	2.7
189.09099	2.0
193.08537	2.2
195.11703	3.6
196.12125	0.9
197.13223	1.4
199.14807	2.1
201.12801	2.6
205.04689	4.4
209.13182	2.5
211.14786	3.1
213.12766	1.5
215.14288	1.1
223.14780	1.4
227.14270	1.8
235.15123	0.9
236.15594	1.6
239.14235	1.0
239.17848	1.9
241.15770	1.4
241.19426	2.2
251.17964	7.5
253.12045	0.9
259.17065	1.0
267.17404	1.4
268.18137	0.9
269.18985	29.1
270.19183	1.2
285.11084	1.1
285.18478	6.7
286.19263	3.5
287.13077	2.5
287.20026	100.0
288.13040	1.8
288.20322	3.8
313.14371	2.1
314.14597	2.2
331.15387	4.9
331.22690	1.3
332.15756	8.4
337.21799	1.1
355.22684	1.0
393.27783	5.7
411.23663	1.7
411.28873	23.6
412.29236	1.5
415.14944	1.5
429.30002	14.7
430.29974	1.0
432.14685	1.1
447.30994	3.8
449.25226	1.7
462.16675	1.2
465.31900	2.7
474.16473	1.2
571.18988	1.0
573.34039	1.5
627.24011	9.2
628.24023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37057	1.8
55.01871	1.5
55.05507	4.4
57.07053	1.5
63.03371	1.4
66.91016	1.3
67.05488	5.5
69.03416	3.0
69.07066	21.1
70.50500	2.4
71.04984	1.5
76.06865	1.5
78.13016	1.6
79.05485	7.1
81.07053	20.5
83.04978	1.8
83.08608	1.9
85.02898	5.0
91.05482	4.9
93.07029	8.3
95.04980	4.3
95.08607	10.8
97.06531	5.6
98.23179	2.5
99.08082	4.1
103.05439	3.7
103.09601	1.6
105.04505	1.5
105.07032	9.5
107.08583	13.3
109.06512	4.3
109.10160	5.7
110.56506	1.4
111.08112	2.7
115.07522	1.4
117.07036	2.2
119.08568	6.6
121.06479	5.1
121.10149	3.4
123.08070	10.9
125.09646	9.2
127.11143	2.7
129.06958	3.1
131.04910	4.7
131.08592	7.0
132.05258	1.8
133.10129	6.2
135.08078	3.7
135.11670	3.7
137.05965	11.3
137.09592	1.6
138.06311	2.4
143.08578	5.0
143.10648	5.3
144.03302	1.4
145.10136	7.8
147.08098	2.2
147.11673	5.1
149.13194	2.2
151.07518	3.7
153.01790	21.9
155.08560	3.7
157.10115	6.4
158.89159	1.5
159.08025	3.3
159.11726	4.3
161.09598	3.9
161.13284	2.9
163.07533	15.1
164.07903	2.8
165.12733	16.4
169.10155	4.5
171.08113	2.3
171.11624	3.2
173.09624	9.2
173.13266	2.4
175.03690	4.7
175.11188	17.4
177.09114	22.1
177.12753	2.9
178.09485	14.2
179.03415	1.9
179.14258	10.3
183.11682	3.3
185.13239	3.0
187.14870	3.8
188.04480	2.5
189.12709	3.4
191.10742	2.5
195.02792	3.1
197.13286	3.2
201.12721	2.5
205.04709	39.5
205.06538	2.5
206.05046	1.9
209.13184	2.4
215.14285	10.8
217.08452	1.9
219.06322	2.6
221.11766	4.3
222.11917	2.1
223.14871	2.4
227.14328	1.9
231.13704	2.1
232.06921	1.8
233.15343	15.1
234.08743	7.3
235.16946	4.3
247.09557	2.0
251.16322	16.3
267.17487	5.0
269.18985	2.5
285.18542	6.0
287.19980	12.0
297.21948	1.7
300.56085	1.5
301.45895	1.8
313.21655	1.8
315.23236	1.9
331.22711	2.6
337.21701	5.0
345.24194	1.7
355.22641	59.6
373.23651	4.0
375.26706	1.9
383.29514	3.2
385.12595	4.3
393.28107	8.3
399.14175	5.2
411.28879	29.6
412.29147	3.2
429.29968	72.1
430.30148	4.0
447.31058	19.4
465.32254	7.0
627.23981	100.0
628.23920	12.7
649.09174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3736
Annotation	14-epi-Ponasterone A 22-glucoside
Peak:m/z	Relative Intensity
55.05510	4.7
57.91427	1.2
58.29695	1.2
60.51515	1.2
65.03928	1.2
67.05486	6.6
69.03424	3.7
69.07061	24.0
69.28028	3.5
69.28426	2.6
71.04987	2.7
79.05488	10.0
81.03404	1.6
81.07047	30.2
83.04988	2.6
83.08630	3.0
85.02893	6.6
85.06544	2.4
91.05486	9.1
92.13641	1.1
93.07022	12.9
95.04956	7.4
95.08591	13.4
97.02902	2.4
97.06529	10.3
97.10157	2.2
99.08087	9.5
105.06997	13.1
107.04942	2.0
107.08584	23.6
107.09251	2.0
109.06518	5.2
109.10124	7.7
111.08103	2.7
115.05544	1.2
117.07054	2.2
118.34251	1.1
119.08550	10.0
121.06506	4.3
121.10147	5.0
123.08057	14.6
123.11674	1.9
125.09626	17.8
127.11181	3.6
129.06990	4.3
131.08575	6.5
133.10114	8.6
135.08029	3.7
135.11668	5.6
137.05980	3.3
137.09628	2.9
142.07735	2.5
143.08556	6.8
143.10660	5.0
145.10132	11.5
147.04362	2.3
147.08020	2.3
147.11636	10.7
149.09578	2.1
149.13199	2.3
153.01834	2.9
155.08521	4.7
157.10098	8.0
159.07999	3.2
159.11661	5.0
161.09622	5.2
161.13261	4.2
163.07602	1.8
163.11203	2.1
165.12738	27.2
169.10112	3.2
171.08035	3.2
171.11685	4.3
173.09673	6.4
173.13287	2.9
174.94398	1.9
175.11165	11.9
175.14809	2.8
177.12764	2.4
178.92451	1.6
183.11676	3.6
185.09590	1.3
185.13268	2.0
187.14862	1.4
189.09158	1.8
189.12695	5.2
193.12262	2.1
195.11736	2.5
197.13243	3.6
199.11281	1.9
199.14844	3.3
201.12778	2.1
203.14352	1.5
209.13319	2.7
211.14824	2.3
213.12744	2.6
215.14244	8.4
217.15872	4.6
219.10136	2.4
219.13713	1.6
220.10448	3.0
223.14818	1.8
225.16324	1.8
227.14209	2.7
229.15787	1.3
233.15324	6.2
237.16322	1.6
239.17970	4.5
243.13963	1.5
267.17517	5.7
269.19037	4.0
279.20932	1.7
285.18533	6.8
287.19980	13.0
295.20453	2.0
297.22186	3.8
303.19513	2.5
313.21582	3.8
315.23148	3.4
319.20306	1.7
331.22537	3.5
337.21542	5.8
355.22614	76.3
356.22903	3.0
368.97333	1.2
375.26871	3.8
393.27805	9.7
411.28900	38.1
412.29428	2.4
429.29950	100.0
430.30252	5.6
447.31064	22.5
448.30396	1.6
465.32050	10.2
550.13177	1.6
606.11005	1.3
627.13226	2.5
627.23895	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	627.3736
Annotation	14-epi-Ponasterone A 22-glucoside
Peak:m/z	Relative Intensity
50.97443	3.5
55.05535	5.4
63.45489	3.8
65.87024	4.0
67.05504	14.0
69.03416	5.4
69.07071	29.6
69.46809	17.7
70.33202	4.0
75.37186	3.9
79.05486	14.1
81.07051	34.6
83.08628	5.4
83.80674	3.7
85.02901	11.4
91.05481	11.9
93.07062	20.5
95.04987	5.1
95.08597	24.0
97.06533	7.5
99.08102	8.8
103.05453	10.9
105.07036	17.4
107.04966	4.1
107.08576	21.5
109.06542	9.3
109.10131	22.9
119.08591	14.3
121.06495	11.1
121.10160	9.0
123.08078	13.1
123.11778	3.7
125.09628	11.2
127.11132	4.7
131.04936	15.5
131.08553	15.5
132.05212	5.3
133.06552	5.6
133.10138	14.0
135.08105	5.0
135.11688	12.8
137.05957	31.5
143.08572	7.2
143.34872	4.1
145.10127	12.0
147.08064	4.8
147.11641	7.6
149.13257	6.2
151.07518	4.8
155.08525	6.7
157.10162	8.5
159.08104	6.4
159.11684	14.6
159.66315	4.4
161.06001	4.4
161.09625	6.9
161.13281	5.9
163.07516	28.0
163.11226	5.7
164.07883	14.2
165.12741	17.6
167.76953	4.3
168.25262	4.0
169.10193	6.4
169.27571	4.1
171.11732	10.8
173.09598	39.2
173.13274	8.0
175.11165	74.7
175.12636	6.5
175.14682	3.7
177.09103	86.9
177.12724	15.9
178.09450	48.3
179.14308	29.5
183.11671	5.4
187.11127	6.2
187.14842	13.9
189.12811	5.3
191.10728	8.1
197.13225	8.4
199.14775	5.6
205.15875	7.6
209.13348	4.7
215.14299	38.3
221.11668	12.2
222.12056	9.5
231.13783	6.5
233.15315	55.1
235.16969	18.0
239.17754	4.9
251.16348	68.9
267.17548	4.2
270.02127	4.6
285.18460	6.2
287.20105	13.1
337.21698	5.4
355.22595	47.3
358.47986	4.3
383.29556	9.0
393.27914	17.8
411.28900	64.8
423.07709	4.8
429.29959	100.0
430.30371	6.5
447.31000	18.9
627.23132	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	627.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	40.6
55.05497	30.5
57.03430	16.1
57.07059	19.1
65.98441	8.9
67.05505	96.9
69.07062	68.9
71.08598	21.7
71.43643	8.6
79.05491	82.7
81.03393	13.9
81.07049	100.0
83.04969	16.2
83.08592	16.4
85.06527	11.7
91.05476	73.5
93.07033	92.5
95.04952	25.2
95.08597	85.3
97.06512	49.0
97.10162	10.8
99.08035	12.8
105.07026	72.2
107.04980	21.7
107.08578	66.9
109.10129	33.9
117.06978	24.0
119.08599	65.4
121.10127	30.7
125.95193	8.0
129.06985	18.7
131.08569	49.5
133.10139	60.8
133.11002	9.2
135.07942	11.0
135.11685	19.8
143.08525	21.1
145.10123	37.5
147.11688	31.6
149.09573	17.8
149.13211	14.8
157.10091	20.5
159.11682	22.4
161.13225	24.1
169.10088	12.6
171.11703	15.7
179.14374	17.0
185.13272	11.8
197.13306	12.6
231.82764	9.6
275.20053	51.3
293.21164	17.8
319.38074	9.5
335.25723	29.0
349.23700	33.6
515.37219	14.3
529.38770	19.5
535.41364	12.2
609.44922	48.1
627.46375	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	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10722	2.8
53.03941	6.9
55.01867	14.5
55.05508	55.3
57.03422	8.2
57.07069	5.5
65.03918	4.0
66.08598	2.7
66.67715	2.6
67.05499	85.3
69.07059	33.2
71.04990	5.2
71.08627	7.0
79.05486	71.6
81.03403	5.3
81.07052	91.0
83.04975	8.6
83.08615	22.8
84.77167	3.0
85.06561	4.4
89.06011	4.3
91.05468	69.7
93.07037	72.2
95.04958	21.7
95.08598	61.0
96.08114	2.7
97.06541	12.2
97.10163	7.0
99.08080	7.2
105.04533	4.1
105.07015	54.6
107.04956	5.8
107.08572	36.4
109.06501	9.6
109.10162	28.4
109.27777	2.9
111.08125	6.9
112.99660	3.0
115.05473	3.4
117.07003	26.4
119.08565	45.9
121.06470	4.0
121.10130	19.0
123.08018	5.7
123.11723	10.0
125.09662	4.4
128.06200	4.1
129.06961	20.3
130.07799	3.7
131.08553	40.8
133.08588	3.2
133.10107	34.1
135.08066	4.8
135.11670	19.6
137.09581	5.8
141.07001	6.3
143.08542	17.2
145.10120	26.6
147.08040	3.4
147.11662	19.6
149.09610	6.6
149.13264	8.4
151.11165	6.8
151.14888	3.2
155.08582	14.4
157.10098	23.5
159.11694	21.0
161.09566	4.1
161.13261	9.7
163.11174	6.3
165.12904	3.6
167.08566	5.5
169.10139	10.6
171.11646	17.4
173.09610	3.8
173.13280	11.9
175.14854	8.7
177.12726	3.4
181.10056	5.2
183.11731	11.9
185.04047	2.7
185.11783	3.6
185.13287	12.1
187.14816	8.5
195.11734	5.9
197.13286	6.0
199.14857	8.0
201.16440	5.1
209.13307	4.9
211.14861	6.1
213.16461	4.6
215.17935	4.4
216.59969	2.7
223.59343	2.7
225.16536	4.7
229.19569	4.8
241.19601	4.2
257.18854	5.7
261.22238	5.0
267.21179	3.2
273.18765	3.5
275.20123	15.8
277.21823	5.1
300.93375	3.8
335.25858	8.3
349.24002	6.9
385.11624	3.5
499.37900	5.2
513.35883	3.4
515.37665	5.9
517.40344	8.2
529.38837	7.2
535.41443	13.7
539.37592	3.1
553.42365	9.9
555.40833	4.1
591.43945	4.3
591.75024	3.2
594.29492	3.7
609.45154	49.2
610.45428	4.6
627.28131	8.2
627.46130	100.0
628.46503	7.0
650.78699	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	628.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
57.03426	13.1
57.07056	1.6
61.02910	3.7
67.05496	13.6
69.03061	2.9
69.03425	38.9
69.03801	1.9
69.07054	5.3
73.02924	3.3
79.05492	13.3
81.03412	2.8
81.07054	100.0
83.04985	1.6
85.02901	41.9
87.04470	27.5
91.03938	2.5
91.05473	4.7
93.07056	10.0
95.04985	2.1
95.08601	16.6
97.02890	45.9
97.06499	1.7
98.03262	1.4
98.23510	3.1
99.04446	2.0
105.06980	2.7
107.08596	7.9
109.02865	3.2
109.10162	5.5
111.08047	2.1
115.03112	3.0
115.03928	56.4
120.08055	2.1
121.10153	3.7
127.03921	7.5
131.04973	1.6
131.08609	3.3
133.04959	62.5
133.10104	2.9
135.11684	2.8
137.05962	4.6
137.13239	17.2
145.04953	13.4
147.04393	1.7
149.13283	7.8
151.03918	2.1
153.01822	3.2
155.56432	1.4
159.11722	3.6
163.06105	7.9
163.07411	2.3
167.07104	1.4
169.04980	1.5
195.13771	2.6
198.85619	1.5
202.06160	1.5
205.04813	2.8
241.06993	2.3
259.08176	5.7
269.17465	51.0
277.09149	4.2
291.12308	9.5
295.10254	8.4
325.11386	3.1
336.20248	1.4
367.28552	1.5
397.16525	2.8
413.30450	2.4
431.31677	2.3
508.00931	2.1
509.35907	1.5
597.27795	1.6
628.21021	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	628.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04537	5.6
56.07993	5.2
56.96552	9.7
71.43513	5.3
72.88056	5.5
98.97545	9.6
109.63324	5.5
110.59175	5.3
116.98598	14.3
134.99608	7.6
170.06665	6.6
195.70346	6.2
262.94147	6.0
285.23163	6.0
479.28281	9.6
497.29926	6.8
515.30347	10.6
531.29694	19.3
533.31323	19.5
545.31342	11.7
587.32574	100.0
605.33594	91.3
628.34918	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	628.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	10.2
67.05482	1.6
70.50534	2.0
79.05484	1.5
81.07045	5.2
84.03776	1.3
91.05476	2.3
93.07018	2.7
94.07874	1.1
95.08598	4.5
98.91631	1.1
98.97562	19.9
104.82669	1.1
105.07022	4.3
107.08575	4.4
109.10178	2.1
116.98606	16.1
119.08575	5.0
121.10153	5.6
123.11724	1.4
131.08565	1.9
133.10117	5.1
134.99637	8.8
135.11694	2.7
145.10114	2.4
147.11679	1.8
149.13206	1.6
153.00671	1.5
159.11676	2.2
187.14626	1.4
189.16367	2.9
201.16486	2.9
215.17897	2.0
260.21762	1.1
261.61630	1.2
306.77063	1.3
309.13620	2.2
323.15167	1.5
327.14825	2.6
329.16351	2.2
341.16296	2.7
447.25446	1.4
461.27298	2.8
467.28320	1.7
479.28613	5.9
491.27948	2.2
497.29300	4.6
507.69022	1.3
509.29352	5.8
515.30164	4.6
527.30420	15.3
528.30762	1.9
533.32025	2.7
543.33582	2.2
545.31482	10.8
561.34570	4.8
563.32404	3.0
587.32324	28.5
588.32562	1.7
589.56122	1.3
605.33539	100.0
606.33832	8.2
623.34247	2.4
628.35333	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	628.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01851	0.8
55.05499	3.4
57.07056	0.8
60.62811	0.7
61.02919	1.0
65.03952	0.8
67.05499	13.0
69.03419	1.5
69.07064	10.0
69.50880	3.3
71.04963	1.0
78.82079	0.7
79.05485	6.2
81.03439	1.2
81.07049	18.0
83.04968	0.9
83.08620	2.1
85.02900	4.0
85.06520	1.2
91.05476	5.7
91.70596	0.7
93.07034	13.1
95.04976	2.0
95.08600	22.7
95.22111	0.8
97.02855	0.8
97.06532	3.8
97.10139	1.4
98.22827	1.8
99.08078	1.1
105.07018	11.2
107.04949	1.3
107.08585	14.5
109.06491	2.2
109.10147	42.5
111.08062	2.4
117.06985	1.9
119.08569	8.7
121.06490	4.8
121.10123	12.6
123.08074	7.8
123.11681	2.6
125.09648	1.2
127.11144	2.3
129.06996	3.0
131.08553	4.5
133.06480	0.9
133.10117	6.9
133.40083	0.9
135.08058	2.2
135.11681	5.9
137.09605	1.0
137.13216	1.5
141.06950	1.0
143.08545	7.4
145.06465	0.8
145.10118	8.1
147.08044	3.0
147.11661	5.9
149.09592	1.6
149.13248	5.1
153.01797	1.2
155.08519	4.1
157.10071	6.0
159.08070	1.7
159.11633	4.5
161.09631	4.3
161.13239	10.1
163.11104	0.9
163.14790	1.6
169.10139	1.5
171.08073	1.4
171.11658	6.5
173.09619	2.6
173.13226	3.1
175.11172	6.1
175.14890	0.9
177.12785	0.9
177.16353	4.0
179.14264	8.4
183.11652	1.2
185.09631	1.6
185.13268	2.1
187.11223	1.6
187.14830	1.6
189.12746	5.7
189.16379	2.5
193.12157	1.3
197.13284	2.4
199.11240	1.2
199.14771	8.6
201.12764	1.9
201.16373	2.0
205.12169	0.8
207.13721	1.0
207.17461	1.4
209.13251	1.8
211.14755	1.1
213.12794	1.0
215.14284	7.2
215.17850	1.0
217.15839	12.4
227.14244	1.5
233.15402	6.4
235.16907	3.2
241.15822	1.1
245.15375	2.2
251.17822	1.4
255.17281	0.8
255.21159	0.8
263.16248	3.9
267.17432	1.0
269.19220	1.5
281.19165	1.0
285.18445	1.8
287.20078	1.2
297.22034	1.0
309.22092	1.1
313.21576	1.9
317.37698	0.8
321.22119	2.9
327.23193	1.0
339.22998	5.1
345.24280	2.6
357.24338	6.0
365.04514	0.9
377.28418	2.5
385.31033	1.4
395.29407	17.1
413.30457	100.0
414.30923	3.6
431.31522	66.7
432.32004	2.5
449.32645	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01871	8.8
55.05510	35.4
56.96570	3.0
57.03445	18.4
60.24538	2.4
65.03923	4.7
67.05502	88.9
68.90084	2.8
69.03430	9.8
69.07063	57.6
69.57717	8.9
70.99397	2.5
71.04987	22.4
73.02917	4.7
76.03733	2.5
77.03947	2.8
79.05486	88.9
81.03413	49.7
81.07050	71.0
81.07446	2.5
83.04980	27.4
83.08618	26.9
85.02905	18.2
85.06549	3.5
85.52606	2.6
91.05471	78.9
93.07034	67.5
95.04967	42.2
95.08603	37.5
97.06524	100.0
97.10159	4.5
98.22703	4.8
99.08097	6.8
100.70078	2.6
105.04468	4.5
105.07028	53.3
107.04933	15.3
107.08587	36.4
107.09260	3.7
109.06512	16.6
109.10150	12.5
111.04475	4.1
111.08091	10.8
111.96411	2.4
113.05997	4.1
115.05473	4.9
115.07561	27.5
117.07017	21.5
119.08574	39.1
121.06515	7.2
121.10137	20.2
123.08067	10.6
123.11712	4.4
125.09631	5.0
129.06975	22.1
131.08546	28.6
131.89581	2.7
133.06476	3.5
133.10124	30.1
134.99722	3.5
135.08067	12.2
135.11671	6.8
137.09616	5.0
143.08565	7.5
145.10132	12.1
147.08022	6.5
147.11632	17.7
149.09631	9.0
149.13264	7.3
151.11177	8.3
153.12708	3.4
157.10114	22.0
159.11707	6.1
161.09657	4.8
163.11177	8.0
165.12814	3.8
167.10829	2.9
171.11739	3.1
173.09544	3.3
173.13321	3.8
175.11191	13.2
177.12755	6.5
187.11261	2.6
193.12231	44.1
195.13770	6.8
211.13257	52.3
217.15906	7.5
227.12764	7.3
245.19084	3.3
247.17056	2.8
253.14301	5.4
267.15747	13.0
269.17529	13.3
273.18356	19.8
275.20172	4.2
283.15350	9.8
285.16962	28.3
285.32980	2.9
291.19571	14.9
347.22076	5.6
365.23163	8.1
437.25232	5.1
461.28775	6.3
477.28384	9.3
479.29855	20.6
481.15112	3.3
509.29575	4.0
527.30481	14.4
545.31042	8.2
557.34357	5.0
563.32312	11.1
575.35480	7.3
587.32379	7.6
605.33252	19.9
628.34662	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	628.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21584	2.4
55.05509	9.8
55.40599	1.9
57.03431	3.0
67.05490	18.9
69.03427	9.8
69.07064	35.1
70.04073	4.8
70.93114	4.3
71.04998	3.6
77.06384	2.1
79.05509	11.1
79.05907	2.0
81.03445	2.5
81.07053	27.9
82.38183	2.3
83.04976	9.6
83.08648	2.6
85.02903	23.9
85.06542	19.2
91.05487	8.6
91.12632	2.2
93.07033	15.5
95.04972	3.3
95.08604	20.7
97.02895	7.7
97.06545	6.3
97.10151	3.0
98.06189	2.0
99.03757	2.0
99.04419	3.3
99.08072	4.5
101.06019	7.3
105.07005	12.8
107.04951	3.2
107.08595	17.1
109.02924	5.4
109.06522	7.5
109.10145	97.8
111.08078	4.8
111.11707	4.0
117.07017	7.3
119.08572	9.5
121.06500	3.8
121.10149	8.9
123.11698	4.5
127.03934	8.6
127.07573	3.3
127.11170	35.4
128.06236	2.7
129.07016	7.1
131.08571	13.1
133.00858	1.9
133.06505	3.3
133.10141	10.3
135.08073	3.5
135.11687	3.9
137.06042	3.9
137.13252	3.8
141.07022	4.7
143.08560	13.7
145.04970	4.4
145.10120	14.2
147.11682	11.3
149.13255	3.5
153.01793	11.2
153.09070	6.3
153.12958	2.1
155.08580	10.0
157.10100	11.0
159.08076	2.6
159.11714	9.4
161.13315	2.9
163.06039	4.9
167.07028	8.1
167.08582	6.8
169.10170	8.6
171.08093	2.5
171.11682	10.2
173.09613	6.3
173.13287	4.7
179.08488	2.6
180.09476	2.9
181.10092	9.1
181.98488	2.1
183.11714	7.7
185.13249	5.7
187.14825	3.6
195.11719	9.9
197.13260	10.4
199.11101	2.6
199.14871	4.2
201.12680	12.4
202.13545	4.0
203.14207	3.2
205.10182	3.5
207.11694	9.7
209.13268	9.6
211.14873	5.9
213.12770	5.2
213.16399	5.2
215.14362	3.0
221.13390	4.7
223.11166	5.3
223.14828	7.4
225.10878	2.9
225.12830	6.8
227.14302	5.3
233.13239	2.9
235.14998	2.6
237.16403	7.6
239.14302	4.5
247.14833	6.6
249.16322	3.1
251.14189	4.2
253.19603	2.7
255.21124	3.8
265.15839	20.5
266.16568	4.0
267.17447	17.1
269.15302	2.8
269.19067	4.7
279.17535	3.0
279.21057	6.7
281.18948	3.7
283.17056	14.7
284.17496	3.5
285.18530	4.5
293.19092	3.1
293.22296	3.2
303.21210	3.9
305.22366	2.7
321.22183	7.7
349.28778	3.9
359.27295	12.9
377.28375	54.1
378.28680	3.7
395.29401	100.0
396.29620	3.9
413.30484	18.1
584.31348	2.6
628.31287	15.9
629.31287	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.5
55.01876	12.6
55.05508	41.4
57.03424	23.5
57.88990	3.4
67.05503	65.4
69.03416	7.5
69.07066	25.4
69.74286	8.4
69.74675	7.3
71.05006	7.7
74.36372	3.3
79.05489	71.3
81.03410	67.4
81.07056	100.0
83.01302	3.4
83.04974	28.8
83.08614	35.2
85.02904	27.8
91.05479	64.0
91.06043	3.5
93.07041	60.3
95.04961	39.3
95.08591	32.5
97.06541	15.9
97.10161	28.1
105.07026	44.4
107.04958	19.6
107.08582	30.7
109.06523	14.0
109.10175	15.2
111.04457	14.2
111.08107	17.5
115.04188	4.0
117.07004	19.3
119.08569	35.7
121.06507	8.5
121.10163	27.2
123.08075	25.1
125.09657	24.8
129.06987	18.4
131.08556	24.5
133.06519	6.5
133.10123	21.3
135.08073	7.5
135.11682	11.8
137.09546	6.1
143.08569	4.5
145.10103	16.2
147.08061	15.8
147.11693	14.5
149.09596	12.1
151.82294	3.6
153.12672	4.1
157.10104	18.7
159.11766	5.2
161.09625	6.4
163.11113	18.9
165.09045	6.5
173.09608	4.4
175.11182	15.2
181.12234	11.0
189.11215	16.3
191.10710	10.0
193.12251	48.4
211.13268	61.6
223.13187	6.6
227.12712	24.4
255.17610	4.2
263.20178	4.5
267.15958	17.0
269.17465	4.9
273.18454	37.9
283.15353	12.2
285.16965	62.1
291.19540	70.2
309.20563	6.6
347.21988	9.6
365.23209	26.7
383.24338	10.4
477.28598	9.0
505.21921	5.3
557.34406	13.7
575.35565	23.7
593.37445	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	628.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19733	3.4
53.03943	9.4
55.01866	25.0
55.05502	46.7
57.02530	3.5
57.03433	25.0
57.07063	6.0
62.42328	3.8
65.03929	8.1
67.05499	99.9
69.03437	7.2
69.07069	52.9
69.14631	25.7
71.01382	3.7
71.04958	7.9
77.43076	3.7
79.05489	94.9
81.03411	59.3
81.07047	100.0
83.04968	29.0
83.08608	30.3
85.02892	12.5
85.06533	6.9
91.05475	92.1
93.07040	78.4
93.07617	7.3
95.04964	40.3
95.08593	45.4
97.06523	25.3
97.10149	13.9
99.08110	6.1
102.09195	4.5
102.99175	3.6
103.05421	3.9
105.04527	7.1
105.07012	58.9
107.04958	16.3
107.08576	44.7
108.35326	3.4
109.06502	16.4
109.10138	15.2
110.10466	4.0
111.04533	4.0
111.08068	16.3
116.04733	7.9
117.06983	25.1
119.08560	43.2
120.48051	3.7
121.06480	7.8
121.10153	23.5
123.08055	13.8
123.11677	5.6
125.09636	10.4
129.05461	13.6
129.06973	19.1
131.08542	29.0
133.06496	4.5
133.10112	44.4
135.08035	10.5
135.11655	20.3
137.09601	12.7
142.07732	5.3
143.08592	8.4
145.10118	17.1
147.07950	4.9
147.11684	24.2
149.09581	22.2
149.13306	6.4
151.11203	4.2
157.08757	7.2
157.10143	18.9
159.11688	11.3
163.11153	11.9
169.31322	3.8
171.10193	4.8
173.13205	4.9
175.11113	21.8
177.12744	6.7
193.12236	37.7
207.06485	9.0
211.13268	29.6
227.12831	7.5
253.14410	6.6
255.15971	10.0
256.26395	6.9
257.19040	6.3
267.15997	18.4
269.17386	11.0
275.19931	24.8
285.16995	23.2
301.16486	28.6
322.60526	3.9
349.23660	19.3
362.90515	3.9
423.27344	4.8
481.28168	4.4
495.29742	18.4
559.36444	6.1
628.34290	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
55.01868	12.3
55.05503	43.3
57.03434	20.1
57.07072	3.1
65.03926	4.6
67.05499	100.0
69.03433	6.7
69.07061	29.8
71.01340	4.5
71.04992	12.0
71.08622	3.1
73.02911	3.6
73.24962	2.5
79.05487	80.9
81.03408	48.2
81.07050	85.0
83.04979	21.4
83.08608	23.1
85.02899	7.7
85.06531	7.8
91.05470	77.3
93.07040	64.8
95.04965	39.1
95.08595	29.3
97.02872	4.6
97.06511	22.9
97.10168	13.7
98.07321	3.8
99.00825	3.4
99.08073	7.1
103.05457	3.4
105.04507	3.4
105.07020	52.5
107.04939	14.6
107.08570	35.9
109.06509	10.5
109.10146	18.2
111.04427	3.3
111.08099	9.2
115.05469	4.4
116.04689	3.2
117.07001	15.9
119.04935	3.1
119.08575	32.3
121.06499	6.8
121.10126	21.3
123.08047	11.5
123.11650	3.4
125.09617	6.8
129.05475	10.6
129.07010	13.4
131.08539	22.2
133.10126	46.6
135.08083	7.5
135.11697	21.6
137.09650	8.6
139.11209	2.7
142.07773	5.1
143.08531	6.7
145.10136	15.1
147.07965	3.5
147.11668	17.3
149.09598	9.9
149.13258	8.0
151.11171	10.9
155.08447	3.2
157.08649	5.7
157.10136	13.6
159.11682	9.5
161.09648	4.1
163.11176	9.2
165.12726	4.0
173.11813	3.1
173.13214	3.2
175.09790	2.5
175.11203	10.4
177.12732	5.3
179.10634	4.3
181.12196	4.1
189.09366	2.6
189.11151	4.9
193.12216	28.7
195.13794	5.3
196.80945	2.9
199.13315	4.4
209.11702	4.6
211.13190	16.9
216.90227	2.4
220.09978	2.6
227.12756	6.4
243.11269	10.4
244.11620	10.1
253.14311	5.4
255.15887	11.4
267.15942	17.6
269.17474	13.1
273.18597	3.3
275.20010	10.8
283.15359	10.4
285.16983	14.4
291.19193	3.5
293.21063	3.7
299.14832	9.0
301.16458	18.5
325.15576	5.2
326.15665	5.5
330.12070	3.4
349.23795	6.7
356.13947	3.3
366.86353	3.1
465.19049	3.3
465.29074	4.7
466.19693	11.3
482.22577	3.6
492.58136	2.8
493.21600	4.0
493.27905	13.8
494.18994	2.8
495.29077	11.8
498.51279	3.4
508.24286	4.2
536.23566	5.2
550.17639	3.3
550.25153	10.6
557.34460	4.6
567.25610	3.1
568.26288	64.3
575.35773	5.0
593.36639	3.5
596.25708	69.2
597.26221	4.6
628.27930	33.9
629.36609	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	628.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.0
55.01877	4.2
55.05513	21.2
57.03436	12.2
65.51341	4.3
67.05497	57.5
69.07072	20.7
71.08629	17.5
74.88625	4.1
79.05486	51.4
81.03406	64.7
81.07053	60.9
83.04972	13.3
83.08619	18.7
85.02943	6.1
91.05473	46.2
93.07034	50.2
95.04954	27.0
95.08591	34.6
97.06535	10.2
97.10140	6.7
98.23516	10.6
99.08109	13.7
105.07056	21.1
107.04963	10.2
107.08566	23.2
109.06555	5.7
109.10172	10.1
111.08100	6.2
117.07001	4.9
119.08544	25.9
121.10153	18.2
123.08091	8.3
125.09599	6.2
128.85892	4.9
129.07014	13.4
130.11098	4.1
131.08583	17.4
133.10127	12.8
135.11693	14.6
143.08524	4.4
145.10118	8.8
147.11688	13.9
149.09615	6.4
149.13252	8.8
151.11130	8.5
157.10136	8.3
161.13205	6.7
163.11171	6.8
165.12679	4.6
175.11171	5.4
179.14293	35.5
193.12262	15.1
211.13271	12.8
259.20819	4.6
267.15891	82.5
277.21585	32.3
285.17001	9.6
293.63107	4.3
304.51154	4.3
351.25308	24.9
479.30038	12.2
543.36688	100.0
544.37048	7.6
561.37622	4.9
599.88892	5.9
629.36218	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	628.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.0
55.05515	45.6
57.03426	16.2
58.50668	7.3
64.35650	7.0
67.05505	100.0
68.05824	6.2
69.06101	36.2
69.07053	38.6
71.04976	19.4
79.05486	87.4
81.03394	31.7
81.07050	85.7
83.04981	12.0
83.08596	28.5
84.11585	6.4
85.78747	6.2
86.64271	6.2
91.05470	78.1
93.07028	95.5
95.04944	30.6
95.08623	46.5
97.00170	6.6
97.06499	12.1
97.10159	13.2
98.39833	7.0
105.07025	51.9
106.07363	11.6
107.04945	14.7
107.08578	38.7
109.06487	7.9
109.10135	22.8
111.07999	8.0
117.07001	24.4
119.08586	37.3
121.10146	31.7
123.11692	11.4
129.06956	18.7
130.07176	6.1
131.08531	38.1
133.10136	38.6
135.11658	24.9
135.47688	7.7
143.08542	9.0
145.10095	31.6
147.11656	26.0
149.09685	10.8
149.13298	6.8
157.10110	15.2
159.11685	18.4
161.13280	7.9
163.11127	12.8
165.12627	7.8
171.11703	13.9
173.13301	11.1
177.12756	8.5
185.13203	17.9
188.80910	6.8
199.14723	7.6
207.11591	7.7
227.12700	14.4
259.20535	9.6
267.15851	13.1
269.17395	7.3
275.20074	19.9
293.21234	9.6
301.20059	8.4
451.31821	11.6
495.29089	16.4
517.35541	12.7
525.35504	31.4
543.36536	42.4
575.39429	13.8
628.34583	10.4
628.45886	16.6
629.34601	16.7
645.93384	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	629.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
60.83601	1.1
67.14948	0.9
68.99785	9.1
71.41763	1.6
81.03414	5.4
85.02912	6.7
93.03373	2.2
93.16763	1.2
95.04964	1.8
97.02873	5.9
102.53928	1.0
103.03905	1.4
107.04935	2.1
109.02887	6.6
111.04433	4.1
112.68185	1.1
114.32933	1.2
119.04961	1.4
121.02866	4.8
123.04426	4.0
127.03915	2.9
131.04901	1.7
135.04428	5.7
137.02327	100.0
138.02679	1.3
139.03896	1.7
145.04979	1.3
147.04416	4.0
151.03946	3.7
153.01823	15.4
159.04437	2.0
161.05954	2.0
163.03847	6.6
165.01901	3.2
165.05391	1.3
171.02905	1.5
173.02251	1.5
173.05887	1.5
175.03842	6.0
177.01843	4.2
177.05431	3.9
179.03357	10.8
183.02930	1.9
187.03911	5.6
189.01840	3.4
189.05472	2.7
191.03409	4.3
193.04919	3.0
195.02806	7.3
197.04378	1.3
201.05368	3.7
203.03415	3.3
205.04953	4.9
207.02850	8.9
213.05469	2.1
215.03302	3.0
217.05009	8.0
219.02870	11.6
221.04384	2.9
225.03908	4.2
227.03323	1.5
229.04991	5.1
231.02826	7.3
231.06479	2.0
233.04482	4.6
235.05949	2.2
237.03923	4.3
238.28703	1.1
241.04901	2.8
243.02872	6.0
243.06425	2.1
245.04369	1.6
247.05978	3.3
249.03920	5.2
253.04951	1.2
257.04486	3.5
259.06049	5.8
261.03906	16.8
271.06012	4.9
273.03857	7.7
277.06970	2.2
279.04959	2.2
281.06476	1.8
283.06027	3.3
285.03854	7.7
291.04907	5.6
297.06342	1.3
301.07065	2.3
303.04944	4.6
310.04568	1.4
311.05331	6.3
313.06833	1.8
321.06137	2.7
323.05478	4.6
325.06952	3.0
327.04910	4.5
337.06989	1.9
339.07205	11.2
341.06534	6.2
343.08038	1.7
345.05914	4.6
351.08594	1.9
353.06616	7.1
357.06253	1.8
361.09363	2.2
363.06998	7.0
365.06543	3.8
369.05905	1.3
371.07535	4.9
375.07114	1.7
377.06439	2.6
383.07510	2.5
393.08231	6.1
395.07562	7.6
405.08316	7.1
407.07452	4.5
419.07773	1.9
423.09119	7.6
425.08548	8.8
437.08456	5.3
441.10233	10.1
443.09567	4.7
449.08755	3.1
455.09451	5.0
459.10416	1.9
461.09747	3.9
473.10727	16.0
479.09476	2.6
491.11356	6.2
497.10535	6.0
509.10373	3.3
515.11523	3.8
527.11328	8.6
539.11554	4.3
557.12604	5.4
575.13354	3.6
629.22028	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2725
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
50.32464	0.9
54.96503	0.8
61.26319	1.0
70.02740	0.9
81.07047	1.1
89.06018	1.7
90.92506	0.9
92.72880	0.9
95.08597	1.2
115.76984	1.0
117.58933	0.8
213.24686	1.0
255.85835	1.0
431.78229	1.1
460.88684	0.9
531.40601	1.1
629.27252	100.0
630.27625	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	630.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03941	2.6
55.01876	0.7
55.05506	3.4
57.03445	4.1
59.27364	0.7
60.47095	0.6
65.03909	0.8
66.50709	0.6
67.05494	2.3
69.03434	10.5
69.07060	1.1
71.05000	1.8
71.42793	0.6
73.02909	1.2
75.04478	6.0
75.62450	0.8
77.03928	1.1
79.05489	18.1
81.03419	9.9
81.07053	6.8
83.04949	0.9
85.02903	8.9
87.04455	1.3
91.05474	14.3
93.07041	87.1
94.07357	1.7
95.04963	8.5
95.08589	4.5
97.02882	8.0
97.06514	1.5
97.53461	0.6
99.04452	2.7
103.05511	0.6
105.04522	2.0
105.07022	8.9
107.04973	1.5
107.08592	16.6
109.02872	5.6
109.06512	1.2
109.10140	3.0
111.04435	2.1
111.08080	5.9
116.06248	0.8
119.08580	13.9
121.06528	2.2
121.10139	100.0
122.10448	2.0
123.08075	1.8
123.11697	2.3
125.06017	0.7
127.03924	6.5
129.05472	0.9
129.07004	1.5
131.08560	6.9
133.06432	0.8
133.10141	1.4
135.11696	1.2
137.06001	1.2
137.09602	0.7
139.11172	5.5
143.08574	1.4
145.03906	0.7
145.04941	3.6
145.10129	2.0
147.08113	0.8
147.11699	0.8
149.09613	31.3
149.10818	1.6
149.13213	0.6
150.09908	1.1
153.01730	0.7
157.10167	1.1
159.11655	0.9
161.09578	1.8
165.09088	1.0
167.10672	29.4
169.10147	1.1
173.09616	0.8
175.11174	1.3
185.13303	0.8
187.11128	0.8
191.10718	2.1
207.10281	0.9
211.11018	0.9
228.80479	0.7
229.12292	1.0
247.13336	1.2
257.11810	1.2
265.14346	1.1
275.12790	3.0
283.15408	1.9
293.13815	9.2
311.14880	29.0
312.15186	0.7
329.15900	1.6
382.26355	0.8
397.15033	0.7
397.30997	1.4
473.20050	0.9
586.32434	2.3
629.44183	1.5
630.31903	12.5
630.43842	1.4
631.36206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	14.5
67.11242	4.2
69.03411	6.3
69.07056	17.0
69.14337	10.8
69.14762	15.4
81.07043	14.6
85.02903	8.7
91.05478	9.6
93.07044	10.7
93.18148	4.8
95.08612	16.0
98.23423	9.8
99.08121	4.8
99.45230	3.8
105.07036	9.0
107.08588	7.2
109.10154	100.0
119.08577	6.3
121.06489	6.1
127.11183	60.6
137.05991	17.7
145.01468	4.3
147.11713	10.5
151.03867	7.5
151.07610	5.4
153.01848	10.4
157.10172	8.1
159.11739	8.1
163.07579	4.3
169.10097	4.9
175.07463	4.8
181.04996	10.0
183.11760	5.4
191.07127	5.2
209.30403	4.3
211.14807	6.7
219.18335	4.8
253.19400	20.7
271.20587	12.6
379.29874	12.1
397.30936	50.4
415.31799	12.2
464.63724	4.4
630.34351	5.0
631.34888	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	630.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53140	3.8
53.03931	6.4
55.01878	12.2
55.05508	58.8
55.74613	3.9
57.03429	23.7
57.07053	7.0
67.05498	74.2
67.22824	3.9
69.03419	11.1
69.07062	23.5
69.43481	20.2
70.06583	6.6
71.04968	10.7
71.08628	8.7
79.05488	77.8
80.99553	4.0
81.03411	100.0
81.07050	79.2
83.04980	27.9
83.08612	39.4
83.38342	3.5
85.02893	23.9
89.59781	4.2
91.05474	76.7
91.91481	4.5
91.92084	4.7
93.07039	58.4
95.04960	51.4
95.08587	40.0
96.70847	4.4
97.02879	4.7
97.06524	19.6
97.10155	27.7
98.23425	4.3
99.08109	11.6
105.07024	44.9
107.04945	25.4
107.08586	33.4
109.06535	13.6
109.10130	22.3
111.04465	11.7
111.08078	19.3
117.07024	17.1
119.08551	33.5
121.06529	9.4
121.10136	25.5
123.08098	12.3
123.11656	6.0
125.09634	26.8
129.06975	21.3
131.08569	19.7
133.06493	6.2
133.10126	28.4
135.08092	6.6
135.11688	14.9
136.05962	3.6
137.09581	4.8
139.11253	4.7
143.08612	5.8
145.10141	20.1
147.08061	7.5
147.11653	23.1
149.02370	8.6
149.09602	16.1
149.13319	4.7
151.11148	7.1
153.09082	8.0
155.08553	4.2
157.10115	17.3
159.11685	14.0
163.11165	22.7
165.12819	7.5
167.10686	7.5
169.10077	5.1
173.09695	5.3
175.11177	13.4
177.12785	10.1
189.11200	14.9
193.05017	6.0
193.12271	43.8
195.13763	8.4
211.13268	55.7
227.12715	23.0
228.23215	10.7
244.84157	5.0
257.19022	4.7
267.15915	56.4
269.17477	12.6
275.19995	37.0
285.16922	54.9
293.21094	54.7
337.95416	4.6
349.23654	17.5
367.24838	30.1
385.25793	5.3
447.07471	6.3
447.27515	9.7
461.29117	22.2
533.26520	10.5
541.35089	15.3
559.35944	21.1
577.37091	12.4
595.38611	6.4
630.32739	24.7
631.34113	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	630.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	14.5
67.11242	4.2
69.03411	6.3
69.07056	17.0
69.14337	10.8
69.14762	15.4
81.07043	14.6
85.02903	8.7
91.05478	9.6
93.07044	10.7
93.18148	4.8
95.08612	16.0
98.23423	9.8
99.08121	4.8
99.45230	3.8
105.07036	9.0
107.08588	7.2
109.10154	100.0
119.08577	6.3
121.06489	6.1
127.11183	60.6
137.05991	17.7
145.01468	4.3
147.11713	10.5
151.03867	7.5
151.07610	5.4
153.01848	10.4
157.10172	8.1
159.11739	8.1
163.07579	4.3
169.10097	4.9
175.07463	4.8
181.04996	10.0
183.11760	5.4
191.07127	5.2
209.30403	4.3
211.14807	6.7
219.18335	4.8
253.19400	20.7
271.20587	12.6
379.29874	12.1
397.30936	50.4
415.31799	12.2
464.63724	4.4
630.34351	5.0
631.34888	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	630.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
55.01870	13.6
55.05508	38.0
57.03437	26.2
57.07068	6.0
59.05004	3.7
61.24887	2.0
65.03926	6.0
67.05499	100.0
67.05863	4.8
69.03416	9.6
69.07063	25.9
71.01347	4.4
71.04987	10.1
71.08624	41.9
71.41379	1.7
72.88544	2.6
73.06559	2.1
77.03909	2.3
79.05042	4.4
79.05486	79.8
79.05949	4.2
81.03049	1.7
81.03411	56.2
81.07051	86.4
82.07352	2.3
83.04971	30.4
83.08611	30.6
85.02903	15.7
85.06530	8.9
87.04474	2.1
91.05475	84.0
93.07036	67.4
95.04961	45.9
95.08596	44.9
96.08918	2.2
97.06518	20.2
97.10181	15.4
98.07301	3.5
99.08089	27.4
101.05955	2.4
103.05505	2.8
105.04499	6.3
105.06350	3.3
105.07022	47.6
107.04945	11.8
107.08588	39.0
109.06522	13.2
109.10139	26.5
111.08085	17.8
115.05471	3.6
116.04689	4.3
117.06981	13.9
119.08562	38.6
121.06497	3.1
121.10140	25.0
123.08041	6.9
123.11653	3.6
125.05921	2.4
125.09624	14.9
129.05493	10.2
129.07002	12.8
131.08572	19.3
133.06503	3.1
133.10117	32.1
135.08107	3.8
135.11688	12.5
137.09653	5.3
139.11183	15.0
143.08508	4.1
145.10118	11.7
147.08043	4.7
147.11661	20.4
149.09607	8.9
149.13210	9.7
151.11188	23.1
157.10120	19.8
159.11678	7.3
161.13232	12.2
163.11160	19.2
165.12700	5.6
167.10655	3.0
171.06508	3.4
171.07951	2.0
171.10219	3.2
171.11711	4.4
173.11768	10.4
173.13130	2.3
175.11172	16.1
175.14729	3.6
177.12790	4.3
179.14297	7.0
185.13222	2.9
189.11223	6.0
191.14223	1.8
193.12230	43.2
195.13791	3.4
199.13261	5.0
203.14375	2.2
207.13744	2.5
209.11639	3.9
211.13263	48.2
212.13678	3.3
221.15143	3.4
227.12749	9.5
229.14317	3.9
241.19496	4.7
259.20575	5.0
267.15869	21.6
269.17444	9.2
275.20096	2.7
277.21658	20.0
283.15387	4.9
285.16925	32.0
293.21057	7.5
301.16473	23.0
351.25299	35.6
365.23309	3.0
367.24866	3.4
381.77588	2.1
383.24484	9.9
439.26837	3.4
445.29584	2.8
463.30447	10.7
478.28934	2.5
479.29837	3.0
495.29391	18.0
543.36511	8.9
561.37909	11.5
577.37158	5.7
630.42841	4.2
631.32343	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	630.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	28.8
69.07079	2.9
71.08620	20.1
71.43207	3.1
73.06545	9.1
81.07050	3.2
83.08599	2.9
83.29562	2.9
85.10168	21.4
87.04453	6.9
89.05465	5.6
89.06020	100.0
99.11733	6.8
113.13284	3.2
117.09099	6.8
124.98093	2.8
133.08595	51.1
155.17999	4.1
177.11176	18.1
199.20540	4.8
221.13782	4.1
243.23166	7.7
245.97813	2.5
287.25903	4.7
388.34448	3.0
520.17230	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71925	0.3
66.06181	0.3
74.24339	0.3
81.03409	0.5
85.02881	0.6
91.05487	0.4
93.07046	0.6
105.07040	0.8
106.46387	0.3
107.08607	0.6
109.10181	0.4
112.65857	0.3
119.08559	0.3
133.06508	0.5
137.05952	2.6
140.33847	0.3
140.87930	0.3
143.43115	0.4
145.10046	0.4
153.01819	3.1
153.02893	0.5
161.05988	1.2
161.09570	0.3
164.07091	0.9
167.07062	0.8
174.68134	0.3
175.07516	0.4
178.09424	0.5
203.05380	0.5
235.07547	0.4
245.06342	1.1
277.03308	0.5
287.05481	2.2
289.05176	2.1
311.12982	0.4
365.13721	0.5
383.14551	3.4
407.58652	0.4
463.15402	0.5
527.18414	0.6
545.19861	9.1
546.20349	0.4
569.19690	0.8
587.20935	41.4
588.21350	2.3
620.56635	0.4
631.19879	100.0
632.20087	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	631.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05497	3.4
57.03434	0.9
57.07068	3.0
59.04996	1.4
67.05499	8.5
68.49002	0.8
69.03443	0.8
69.07060	3.3
71.04998	1.2
71.08629	1.3
73.06580	0.9
77.95675	0.6
79.05491	6.3
81.03416	2.5
81.07042	8.0
83.04971	1.4
83.08617	2.2
85.06545	1.5
85.10167	0.9
89.06016	7.6
89.66462	0.7
90.06386	0.9
91.05481	7.3
93.07034	6.7
95.04975	3.4
95.08590	3.7
97.06516	1.2
97.10114	0.9
101.00214	0.7
105.07017	7.4
107.04942	1.3
107.07953	1.1
107.08578	5.5
109.06512	1.8
109.10130	4.3
111.08099	0.7
117.07038	1.9
119.08592	5.8
121.10165	4.1
123.08064	2.2
123.11716	0.9
125.09682	1.3
129.06967	1.1
131.08569	2.7
132.60371	0.8
133.08597	4.2
133.10124	3.3
135.08032	1.7
135.11662	1.9
137.06030	1.0
142.07776	1.4
143.08606	1.6
145.10085	4.8
147.11714	1.5
149.09625	1.6
151.07562	1.3
156.09390	0.8
157.10120	2.5
159.11714	1.5
161.09602	1.6
163.11208	1.2
165.09108	1.0
167.10757	1.9
171.11778	1.1
173.13351	1.0
175.11182	1.0
175.14828	0.8
177.11298	1.6
181.12227	1.5
189.12888	1.2
193.12204	1.7
195.11713	0.8
221.13409	1.0
221.15407	2.2
233.15324	1.7
247.14514	0.9
249.35547	0.8
255.41592	0.7
273.15036	0.8
283.15305	5.1
299.20648	0.7
315.19315	6.4
335.22107	1.1
339.17847	2.1
347.25699	1.8
371.21973	3.3
460.50577	0.9
490.36029	2.8
530.46338	0.9
601.40887	1.7
631.38080	100.0
632.38226	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	631.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.2
57.03428	1.0
57.07070	2.8
59.04995	1.7
60.98463	0.6
61.78624	0.7
67.05505	7.2
69.03439	1.3
69.07069	4.2
69.56852	2.0
71.04988	1.4
71.08629	1.6
79.05489	6.2
81.03417	2.8
81.07059	6.4
83.04989	2.9
83.08615	2.0
85.06541	1.7
85.10175	1.1
87.04478	0.7
89.06024	7.2
91.05468	7.2
91.05890	0.6
93.07037	7.9
94.07342	0.9
95.04974	5.7
95.08595	6.3
97.06531	1.4
105.07026	6.9
107.04946	1.4
107.08572	5.5
108.14937	0.7
109.06528	2.6
109.10154	3.6
111.08112	2.0
117.07022	2.3
119.08575	6.1
121.06518	1.1
121.10136	3.8
123.08062	1.8
123.11718	1.3
123.30299	0.7
125.05950	1.5
125.09651	1.2
129.07014	1.3
131.08560	5.1
133.06503	0.9
133.08585	4.1
133.10078	4.2
135.08073	1.9
135.11716	1.6
137.09593	1.6
142.07758	1.2
143.08600	1.3
145.06537	0.9
145.10136	3.1
147.08055	1.3
147.11736	2.6
149.09613	1.9
151.07536	1.7
155.08621	0.9
157.10129	2.6
159.08066	1.1
159.11760	2.0
161.09651	1.7
163.11212	2.0
163.84859	0.7
165.09169	0.9
167.10681	1.1
169.10213	1.2
171.11673	0.8
173.09622	0.9
173.13257	1.2
175.11166	1.3
177.11165	1.8
181.12286	1.4
183.11754	0.8
189.12808	0.8
193.12305	0.8
195.11668	1.4
211.14934	0.8
221.15486	1.4
283.15204	4.4
301.14328	0.8
315.19278	9.3
335.21921	1.4
339.17767	4.2
371.21820	3.9
403.24817	0.8
490.36026	2.4
631.38116	100.0
632.38373	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	632.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13733	0.7
53.03934	1.2
55.01862	1.0
55.05509	6.9
57.03431	4.8
57.86362	0.7
57.97432	0.8
59.04994	2.4
61.02920	1.2
62.98766	0.8
65.03941	1.9
67.05500	49.0
68.15569	0.7
69.03409	1.0
69.07060	3.6
69.38289	4.2
71.04981	2.3
73.06539	0.9
79.05038	1.8
79.05486	25.3
81.03411	3.7
81.07053	19.6
83.04978	4.9
83.08624	4.3
85.02916	2.3
85.06544	2.2
87.04512	0.9
91.05473	20.0
93.07042	26.5
95.04964	7.6
95.08608	10.2
97.02904	1.0
97.06545	2.0
97.10149	1.8
105.07024	13.8
107.04942	2.3
107.08593	7.7
109.06506	2.2
109.10149	34.3
110.10464	0.9
111.08148	1.6
117.07017	3.6
119.08575	11.7
120.67291	0.9
121.10120	2.7
123.08051	1.7
128.06223	1.0
129.06981	4.8
131.08560	1.2
133.10121	3.5
135.11688	3.3
137.09650	1.9
143.08565	4.2
145.10118	3.8
147.08055	1.4
147.11671	11.5
155.10632	1.7
161.09598	1.9
161.13263	4.4
171.11690	8.2
173.11693	9.6
189.12689	2.5
207.13745	7.5
211.13344	0.9
225.14807	0.9
229.14326	26.4
255.15872	3.1
281.17435	22.9
435.27386	100.0
436.27872	4.3
569.12231	0.8
579.31116	1.2
609.33154	2.0
632.33722	3.6
633.35791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89764	0.3
53.03912	1.2
55.01842	1.0
55.05507	9.2
57.03433	12.5
57.07042	1.0
61.02913	1.8
65.03909	1.4
67.05497	36.4
69.03423	0.7
69.07061	9.3
71.01341	3.1
71.04984	3.3
73.02909	0.7
77.03889	0.5
79.05484	29.9
81.03409	5.5
81.07050	15.3
82.83823	0.3
83.04537	0.6
83.04976	7.5
83.08609	2.8
85.02884	2.3
85.06105	0.3
85.06531	3.2
91.03967	0.4
91.05470	13.3
93.07034	35.1
94.07343	0.8
95.04957	5.6
95.08595	5.1
97.02867	1.2
97.06515	8.4
97.10155	8.4
99.04412	0.6
99.08066	1.4
105.04487	1.2
105.07002	4.0
107.04916	1.1
107.08582	25.2
109.06493	0.9
109.10145	5.4
111.04378	0.4
111.08070	1.5
115.05450	0.4
117.07013	3.9
119.07738	0.5
119.08559	5.5
121.06481	1.2
121.10132	5.1
123.07973	0.4
125.09602	1.3
129.06932	0.5
130.07716	0.9
131.08530	0.6
133.10100	2.9
135.08040	1.0
135.11676	41.3
136.12003	0.7
137.09590	1.2
143.08521	0.7
145.10094	6.8
147.11650	1.0
153.12735	1.2
163.11179	6.0
173.11761	0.7
174.02415	0.3
181.12215	9.4
193.12212	0.8
199.13245	1.9
207.13687	0.5
211.13254	1.3
229.14349	1.8
255.15880	64.6
256.16177	1.4
269.17517	0.6
277.21429	0.5
281.17563	1.4
285.16974	1.0
358.76520	0.3
435.27365	100.0
436.27661	3.8
439.26855	0.7
461.28983	0.6
479.29813	1.6
495.93448	0.3
518.90582	0.3
535.28918	0.6
561.37732	0.4
633.36505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.3
58.08366	1.2
60.93954	1.0
67.05506	6.0
69.03405	2.1
69.07062	3.4
75.74837	1.2
79.05476	5.5
81.03394	1.6
81.07040	4.8
91.05463	4.0
93.07017	4.2
95.04963	6.1
95.08591	3.6
97.06516	2.2
105.07018	5.2
107.08567	3.7
109.06526	2.2
109.10098	2.4
119.08578	4.1
121.10104	2.7
125.05972	1.7
128.26093	1.1
129.06941	1.2
133.10098	2.7
135.08070	1.6
143.08589	2.0
145.10138	1.4
147.04428	1.3
147.08063	2.7
147.11694	1.2
149.09630	1.4
151.07573	2.2
157.10150	2.8
164.02968	1.3
167.10727	1.3
173.13190	1.7
181.12213	1.3
189.12695	1.3
221.15248	1.5
267.12027	1.7
267.15887	1.2
301.51187	1.3
325.15729	1.3
339.19110	7.7
353.22797	3.4
409.25803	2.7
489.80621	1.4
531.29193	1.6
547.28937	1.8
572.10809	1.2
597.38055	2.0
615.34753	2.7
633.34460	100.0
633.88770	1.4
634.34106	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	633.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.1
57.03437	0.9
67.05506	2.9
69.07077	0.9
79.05494	2.3
81.03413	1.3
81.07055	2.5
83.04980	0.7
83.08626	1.1
85.02901	1.5
91.05478	2.7
93.07046	2.8
95.04971	1.6
95.08617	1.2
97.06513	0.9
105.07024	2.7
107.08581	1.2
109.06497	0.5
109.10155	1.0
111.08074	0.8
117.07047	0.7
119.08572	1.5
121.06573	0.5
121.10148	1.0
123.08154	0.4
125.80892	0.4
129.06966	0.5
131.08589	0.8
133.10156	1.1
135.11757	0.4
137.05789	0.9
145.10181	1.0
147.11700	1.0
149.09627	0.5
151.07530	0.7
157.10201	0.8
168.41301	0.5
192.50502	0.4
192.88098	0.4
193.12303	0.5
197.27716	0.4
251.12636	1.3
307.15338	0.6
349.19818	11.5
349.24060	0.7
351.21545	0.5
356.10498	0.5
405.22424	5.7
535.28693	0.5
536.91095	0.5
633.35986	100.0
634.36145	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	633.3602
Annotation	Longithorone E
Peak:m/z	Relative Intensity
53.81747	0.3
55.05493	1.1
57.03430	0.5
62.26405	0.3
66.95164	0.4
67.05481	1.6
69.03426	0.3
69.07069	0.7
69.85023	1.1
71.04986	0.4
79.05476	1.7
81.03407	1.5
81.07051	1.9
83.04987	0.8
83.08588	0.9
85.02893	1.3
86.54912	0.4
87.68068	0.4
91.05465	1.9
93.07037	1.4
95.04960	1.2
95.08604	0.8
97.10151	1.0
98.23376	0.4
105.07026	1.3
107.04944	0.5
107.08588	1.0
109.06521	0.7
111.04418	0.4
111.08117	0.4
111.64385	0.4
117.06999	0.6
117.18867	0.3
119.08566	0.8
121.10151	0.7
123.08054	0.7
129.06970	0.4
133.10123	0.8
135.11658	0.4
145.10129	0.5
147.08023	0.4
147.11711	0.8
157.10114	0.7
163.11188	0.5
205.62729	0.4
251.12587	1.2
261.08563	0.5
269.32535	0.3
307.15152	1.2
345.10892	0.4
349.19821	7.4
379.17212	0.4
385.27850	0.4
405.22501	4.6
633.35986	100.0
634.36444	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	633.3609
Annotation	Longithorone E
Peak:m/z	Relative Intensity
50.42841	1.1
54.17486	1.1
55.05502	2.4
67.05498	5.6
69.07065	3.3
73.47201	1.3
79.01614	3.5
79.05483	3.6
81.03420	1.1
81.07043	5.9
83.08616	2.4
91.05474	5.4
93.07032	6.3
95.04949	5.1
95.06181	1.2
95.08596	4.2
95.15410	1.2
105.07009	5.0
107.08589	4.4
109.06519	2.6
109.10152	2.9
109.57401	1.2
115.05566	1.1
117.07043	1.8
119.08545	5.6
121.06510	2.0
121.10130	3.0
123.08008	1.7
125.05948	1.7
129.05528	1.6
131.08594	3.1
133.10107	2.9
135.08061	1.9
135.11703	1.7
138.02869	3.3
139.03680	4.5
143.08693	1.1
151.07550	2.2
153.05220	2.7
155.08521	1.2
157.10107	1.5
159.11664	1.7
161.09581	2.1
163.11209	2.6
167.10715	1.4
169.10097	1.8
171.11656	2.1
181.12282	2.0
193.29544	1.3
193.60741	1.4
195.09995	1.5
211.05827	3.6
221.15297	1.9
223.13074	4.5
246.30806	1.3
251.12505	5.3
267.12003	2.7
277.14395	1.3
281.13293	1.3
295.15009	1.6
307.15112	5.3
320.87567	1.4
323.14453	2.2
331.18701	1.7
333.20444	5.9
337.16278	1.9
338.16989	3.5
349.19983	2.6
366.16464	5.1
379.17145	7.3
389.23013	4.8
405.21921	1.5
448.24100	2.3
450.25720	2.9
461.25061	4.5
475.26709	1.8
479.26114	5.3
505.27777	2.6
531.33142	2.5
547.28809	25.6
547.37054	1.5
587.35034	1.9
615.34296	8.3
633.35797	100.0
634.36005	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	633.3604
Annotation	Longithorone E
Peak:m/z	Relative Intensity
50.25938	0.2
77.23380	0.2
79.05502	0.2
93.07061	0.6
98.22893	1.0
105.07035	0.2
107.08609	0.3
109.10164	0.5
118.73789	0.2
121.10241	0.2
133.06520	0.2
133.57816	0.2
137.05925	0.2
139.53246	0.2
153.01788	1.2
185.04230	0.2
367.29721	0.3
471.30444	0.9
513.25037	0.3
513.31934	0.7
543.25793	0.3
633.36053	100.0
634.36401	5.7
651.31183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00353	0.4
54.61132	0.4
55.05502	1.2
57.03432	0.8
59.21238	0.5
67.05509	4.0
69.03448	0.6
69.07072	1.1
69.72195	1.1
69.72557	1.0
71.04996	1.1
73.50217	0.5
79.05486	4.3
81.03428	1.0
81.07058	4.5
81.10334	0.5
83.04974	1.0
83.08623	0.8
85.06542	0.5
91.05486	3.6
93.07043	4.9
95.04977	1.3
95.08595	1.7
96.08962	0.6
97.06533	0.6
97.10135	0.7
98.22800	0.8
105.07029	3.0
107.08591	2.1
107.98319	0.6
109.10160	1.1
117.07022	1.1
119.08597	2.0
121.10164	1.6
125.06010	0.5
129.07011	0.9
131.08548	1.8
133.10153	1.4
135.08037	0.5
135.11786	0.6
139.20616	0.5
145.10120	1.1
147.11699	1.4
149.09605	1.1
157.10138	0.9
171.68828	0.4
173.13132	0.5
221.15450	0.7
268.67447	0.5
283.15118	14.5
317.20880	0.9
339.17706	4.8
373.23785	1.9
384.36594	0.5
411.20108	0.9
547.27393	0.6
633.39771	100.0
634.40228	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	633.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68001	0.6
55.05504	1.4
57.07074	1.7
59.04982	0.7
66.99003	0.6
67.05493	3.8
69.03411	0.8
69.07067	1.9
69.09702	4.4
71.05000	1.2
71.08627	3.2
72.91064	0.6
79.05479	3.2
81.03417	1.3
81.07064	5.1
83.08607	1.2
85.10178	1.3
87.04469	1.0
89.06030	5.7
91.05470	4.3
93.07029	4.4
95.04961	1.5
95.08614	2.1
97.06519	0.9
105.06988	3.5
107.08604	2.0
109.06521	0.9
109.10159	1.2
112.80358	0.6
113.00022	1.0
117.07047	0.9
119.08561	2.9
121.06544	2.0
121.10159	2.5
123.07008	0.7
123.08080	1.3
127.87455	0.7
129.07011	1.1
131.08543	1.5
132.16774	0.7
133.08612	3.0
133.10139	1.4
135.08073	1.1
135.11723	0.8
137.09650	0.7
143.08598	1.1
145.10153	1.4
147.08083	1.3
147.11665	0.8
149.09613	1.6
156.76405	0.7
157.10152	1.2
163.11252	1.3
165.09146	1.0
168.09380	0.7
175.11159	0.7
177.11247	1.1
179.14313	1.7
183.11623	0.8
195.11739	0.6
221.15350	0.8
233.06180	0.7
247.20499	1.2
267.16016	0.7
277.36908	0.6
283.15167	4.1
291.23245	2.1
317.20795	7.0
339.17737	4.7
373.23544	2.8
447.32516	0.7
521.36438	1.7
615.41321	1.0
633.39679	100.0
634.40051	7.2
664.45093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01870	4.4
55.05507	13.3
57.03432	16.5
57.07072	1.7
59.04997	5.7
61.02919	4.9
63.51397	0.8
65.03918	1.8
65.13593	0.9
67.05498	67.5
69.03417	1.5
69.06713	0.9
69.07059	3.0
69.62341	0.7
71.04985	4.7
73.02926	1.3
77.77562	0.8
79.05487	12.9
81.03409	7.3
81.07049	16.6
83.01315	6.0
83.04956	7.4
83.08610	11.6
85.02903	7.0
85.06531	2.9
91.03951	2.2
91.05466	11.4
93.07037	16.9
95.04978	5.4
95.08587	7.5
97.02868	4.1
97.06535	2.8
99.04459	1.3
105.07016	6.1
107.04945	3.8
107.08585	9.1
109.06490	4.8
109.10143	65.4
110.10483	1.1
111.04417	1.7
111.08086	2.9
117.06992	3.9
119.08573	8.5
121.06492	1.8
121.10104	4.3
122.09654	2.0
123.08047	5.4
125.05968	1.1
127.03881	0.9
130.07764	1.1
131.08525	2.4
133.10146	0.9
135.11696	8.5
137.09608	3.2
145.10104	9.3
147.07962	1.7
153.12743	1.9
155.08537	0.9
155.10603	4.0
163.11168	17.7
173.09514	1.3
173.11707	15.0
181.12257	2.2
187.85359	0.9
191.10684	1.7
209.11700	2.9
227.12804	3.0
229.14319	85.1
230.14799	1.4
283.15366	74.6
284.15790	1.9
304.33652	0.8
437.25296	100.0
438.25919	5.0
578.87866	0.9
640.44690	0.9
648.66040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46030	0.4
55.05487	0.5
63.77098	0.3
67.05482	1.2
69.07068	0.4
71.08611	0.7
79.05491	0.7
81.07042	1.4
82.39803	0.3
84.95347	0.3
89.06009	1.0
91.05470	0.8
93.07050	0.7
95.08588	0.8
98.98444	2.3
105.07012	0.6
107.08582	0.5
109.06516	0.4
118.06509	1.4
119.08527	0.5
121.06555	0.6
121.10114	0.4
123.08072	0.4
124.99981	7.0
129.06955	0.4
132.08052	0.5
133.08643	0.6
144.08061	9.3
158.09636	3.5
159.10391	1.5
160.11188	0.5
172.11206	2.6
176.14325	10.2
177.11273	0.4
202.15884	82.7
203.16202	1.8
220.16936	8.9
241.62843	0.4
300.13559	100.0
301.13940	2.7
374.17355	0.5
413.44888	0.4
553.95422	0.5
616.37659	1.1
634.39001	3.4
635.40942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
69.03410	2.8
71.43577	0.7
79.01838	5.8
81.03409	2.8
85.02930	0.7
97.02876	2.5
98.03166	0.6
103.05440	1.0
107.01285	1.1
109.02867	2.1
119.04951	0.8
125.02347	2.8
127.03896	4.4
143.03366	8.2
147.04385	1.6
153.01808	88.3
153.02904	5.9
154.02150	0.8
163.03949	1.3
175.03889	1.5
185.02295	1.9
187.03914	5.6
203.03339	4.5
203.23723	0.7
213.01813	4.3
215.03343	4.4
229.01372	1.0
231.02838	20.1
241.01329	3.9
247.02245	0.9
259.02347	27.2
275.01782	1.2
277.03397	100.0
278.03748	2.9
289.03351	1.4
297.06165	1.3
303.01294	13.2
315.01144	0.9
315.07025	1.0
321.02316	2.7
387.03363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.6
51.02368	1.2
53.03939	0.6
55.01867	0.5
57.03421	0.7
64.63277	0.2
65.03879	0.2
69.03423	3.3
69.40211	1.2
71.04985	0.6
76.37950	0.2
79.01847	7.1
81.03411	4.7
85.02898	1.6
91.05472	0.5
97.02888	3.0
99.04465	1.2
103.05472	0.8
107.01311	1.9
109.02874	3.3
115.05396	0.3
119.04922	0.6
123.00813	0.3
125.02330	3.5
127.03902	4.8
129.03358	0.5
131.04901	0.6
143.03383	9.0
144.03726	0.3
145.04993	0.5
147.04404	0.9
153.01811	100.0
153.02887	6.4
154.02151	1.3
157.02855	1.0
159.04311	0.4
171.02904	1.8
173.02368	0.4
175.03938	1.9
177.82161	0.3
185.02368	1.4
185.03802	0.2
187.03900	4.5
191.03477	0.6
192.78583	0.3
199.03796	0.3
201.01834	0.8
203.03363	3.4
213.01852	3.9
213.03716	0.4
213.05507	0.4
215.03362	3.9
217.04796	0.2
219.02873	0.4
223.03708	0.3
227.03305	0.6
229.01347	1.0
230.01884	0.3
231.02856	18.3
232.03337	0.5
233.04460	0.5
241.01299	2.9
241.04964	0.5
241.56107	0.2
243.02794	0.6
243.56323	0.2
245.04474	0.4
247.02318	1.5
255.02740	0.4
257.00888	0.9
259.02353	27.5
260.02692	0.8
261.04001	0.5
269.04532	0.5
271.02435	0.7
273.03839	0.8
275.01709	1.9
276.02588	0.4
277.03397	78.8
278.03726	2.1
285.00333	0.7
285.03784	0.5
287.01901	0.4
289.03424	3.5
295.02313	0.3
297.06421	1.2
299.01831	1.6
301.03470	1.2
303.01315	15.5
304.01407	0.3
305.02951	0.3
313.03384	1.0
315.01404	4.6
315.04822	0.7
317.02802	0.6
319.04242	0.4
321.02368	1.2
323.01846	0.3
327.01517	1.2
328.99265	0.5
331.00839	0.7
339.04858	0.3
341.02783	1.9
343.00754	0.3
343.04480	0.9
345.02365	5.9
346.02679	0.3
355.04602	0.3
357.06094	0.3
359.03845	0.5
361.01773	0.5
367.04926	0.5
369.02383	0.9
381.02377	0.3
385.05481	1.5
387.03394	6.6
399.03168	0.6
411.03412	1.5
429.04413	0.9
447.05237	1.2
465.06537	1.3
617.07690	0.4
635.08246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31927	0.5
92.01575	0.4
122.09647	3.1
122.81159	0.5
136.45879	0.5
137.05975	0.5
150.09114	0.5
176.04517	0.8
177.05299	1.3
217.04761	1.7
219.06197	0.7
231.06331	1.4
247.05670	2.8
248.06567	1.2
277.08240	1.8
285.18463	0.7
371.11227	2.0
390.18005	1.0
395.11035	5.3
401.11972	7.1
409.12576	1.3
410.13318	36.2
411.13986	5.1
428.14563	0.7
438.73410	0.7
451.16217	1.2
452.18127	0.8
589.26477	2.6
605.19714	3.0
617.25793	1.5
635.20880	100.0
636.21472	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	635.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43816	0.6
69.03384	0.6
71.02856	0.6
81.07057	1.1
93.07018	0.8
105.07052	0.8
107.07353	1.7
122.09669	10.3
148.11183	1.5
150.09196	1.1
153.01820	1.2
162.05536	0.9
167.07080	1.0
173.56181	0.7
176.04379	0.9
176.10696	1.0
177.05188	3.4
202.07402	1.7
204.10219	5.0
217.04771	1.1
217.09621	1.1
226.26469	0.8
231.06288	1.4
235.10823	2.8
247.05775	0.8
248.06615	1.4
257.09265	3.2
261.08704	19.2
271.70071	0.7
279.21353	0.8
285.08740	4.8
287.10284	1.3
305.11377	0.8
313.08148	2.6
331.09265	4.0
361.10486	2.8
363.12137	1.3
365.09949	1.8
371.11121	1.6
377.10074	3.2
379.11597	1.0
380.12381	2.7
390.18158	0.7
392.12137	4.1
395.10992	8.3
401.12082	6.5
409.12747	0.9
410.13342	35.8
411.14026	12.2
454.19296	1.2
464.18048	7.9
482.19077	8.0
503.94626	0.8
543.89288	0.8
575.18958	2.0
589.26355	1.1
604.18665	1.4
605.19818	6.1
617.26111	1.0
635.20868	100.0
635.37897	3.4
636.21405	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	635.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01867	1.7
55.05505	3.1
56.33421	1.4
58.23319	1.2
67.05488	11.2
69.03413	2.8
70.50174	2.4
71.04959	1.8
79.05489	8.6
81.03412	7.1
81.07042	7.4
83.08595	3.8
85.02894	2.8
91.05466	8.8
93.07035	6.1
94.06570	3.6
95.04979	2.8
95.08595	6.4
97.02856	1.7
97.10168	1.6
105.07021	5.7
106.06564	5.0
107.07330	15.7
107.08570	6.3
108.08100	4.5
109.02886	2.7
109.08944	1.4
109.10135	8.2
110.09721	1.4
119.08568	4.4
120.08104	3.4
120.08875	1.6
121.06408	1.7
121.10113	3.7
122.06031	4.5
122.09653	91.0
123.09979	1.5
125.09625	3.4
129.06967	2.2
131.08565	4.3
132.08064	2.3
133.06525	1.6
133.10123	3.2
134.09657	2.5
135.11652	2.2
136.07578	4.4
143.08533	1.8
145.10138	4.7
147.11714	1.8
148.11163	7.8
150.09128	40.9
153.01775	2.1
153.12669	1.4
157.10062	1.7
159.11716	2.4
162.05460	2.3
162.09210	1.4
164.07031	4.7
166.08583	1.6
173.09572	1.4
173.11528	1.4
174.09132	2.4
174.12628	1.8
176.10703	6.0
178.08607	3.6
179.08202	1.4
185.07117	2.8
186.07858	2.8
187.08698	5.8
187.14899	1.6
189.06674	1.6
191.08087	2.2
193.12254	3.1
194.11841	2.3
199.05038	4.2
200.05721	3.4
202.07242	1.8
204.10179	15.5
205.09694	2.4
208.34995	1.6
211.13275	3.1
213.10246	2.2
215.08144	7.4
217.06155	2.2
217.09756	2.5
218.06828	4.3
228.77335	1.3
229.09692	2.5
229.14352	7.4
230.08011	1.6
231.07678	3.1
233.09196	5.6
235.10732	4.4
251.10118	1.5
257.09134	4.5
257.60626	1.6
259.07123	6.5
259.10611	2.2
261.08691	21.8
263.10126	1.5
267.15555	2.2
269.09207	1.8
275.10571	1.5
277.08163	76.9
285.08716	6.6
285.16840	2.7
287.10150	4.9
290.16467	1.8
299.10278	4.5
301.11481	1.6
302.12802	11.9
305.11121	2.3
313.08206	3.7
316.14542	4.0
317.15100	1.9
318.12497	1.9
320.13913	1.7
330.15912	1.8
331.09171	4.6
331.16672	5.0
334.15387	2.6
335.12231	4.0
335.16266	3.8
346.19022	2.8
359.11740	1.5
360.13416	11.7
361.14127	16.6
362.14871	3.3
362.18814	2.2
364.20285	9.1
374.14822	4.1
375.15668	4.0
376.12589	2.2
378.14008	1.7
378.18329	3.5
379.15054	3.4
380.19528	2.0
388.16522	2.3
389.17337	2.2
390.18069	71.0
391.18768	2.0
396.15436	2.3
406.17529	14.4
408.19299	16.3
413.16772	2.9
414.16501	19.2
415.16949	1.7
418.17542	3.7
421.25751	1.9
426.20514	7.0
434.17053	10.1
436.18503	2.8
439.26947	5.6
450.16867	1.6
452.18051	30.7
454.19583	11.3
455.17938	2.7
455.31778	2.5
462.16553	5.0
464.17990	6.2
480.17633	17.2
482.19153	2.9
512.20148	2.6
527.26697	9.1
571.25287	2.7
589.26495	100.0
590.27087	7.1
599.24689	4.2
607.27429	3.4
617.25952	53.7
618.26074	4.8
635.26282	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	635.3937
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05506	3.9
57.07068	1.3
65.03925	2.1
67.05498	5.8
69.03417	1.0
69.07063	3.9
70.69458	1.4
79.05467	5.5
81.07048	13.7
83.04978	2.4
83.08614	3.3
86.99252	1.0
91.05471	18.0
91.05981	1.5
93.07031	14.1
95.04971	2.0
95.08603	20.8
97.10159	1.3
105.07028	18.7
107.07909	2.0
107.08585	20.3
109.06515	2.3
109.10146	14.1
111.08070	2.0
117.07005	2.3
119.04932	25.0
119.08569	23.3
121.10129	13.2
123.07990	1.2
123.11715	4.8
125.09620	4.6
129.07033	1.6
131.08571	7.4
133.10120	12.9
134.61461	1.2
135.11696	6.8
137.09586	1.8
143.08580	3.6
145.10112	17.5
147.04391	100.0
147.11642	8.1
148.04718	1.9
149.13272	4.0
151.11227	1.5
153.09088	1.1
157.10161	3.8
159.11676	14.9
161.13235	7.7
163.14810	3.9
165.05475	6.0
169.10136	1.2
171.11681	1.8
173.13263	9.1
175.14833	7.0
177.09056	1.2
177.16432	4.1
185.13315	2.3
187.14796	23.2
189.16367	12.2
191.14282	2.7
191.17940	5.6
197.13232	1.2
199.14755	5.5
201.16368	20.0
203.17944	5.2
205.15894	4.0
207.17366	1.1
213.16391	9.5
215.14470	1.3
215.17912	11.8
217.15750	2.4
217.19463	2.2
219.17455	11.4
227.17877	1.4
229.15981	1.5
233.19003	3.2
235.16841	7.3
239.17966	1.1
241.19496	2.2
243.21036	1.2
247.16914	6.3
261.18527	5.7
267.21060	3.7
275.20074	1.7
311.23703	1.4
389.32108	5.2
395.29315	1.9
407.33099	20.9
408.33490	1.3
423.32654	1.8
425.34122	1.8
435.32382	6.3
453.33652	14.5
545.34436	2.4
635.36646	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	635.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.0
57.07068	1.9
65.03925	1.8
67.05500	7.7
69.07060	3.6
69.15086	6.4
73.57403	1.3
79.05489	5.4
81.07057	12.7
83.04980	4.7
83.08604	2.8
86.30811	1.1
91.05470	23.0
93.07040	12.7
95.04960	3.2
95.08598	21.0
97.10168	1.7
105.07021	18.1
107.08587	21.7
107.62045	1.1
109.06506	2.5
109.10138	8.7
111.08137	1.5
117.07030	3.3
119.04933	31.8
119.08572	26.2
121.10146	20.0
123.08067	2.0
123.11711	4.7
125.09636	4.9
129.06998	2.3
131.08566	9.9
133.10115	14.1
135.11685	6.6
143.08562	5.3
144.09404	1.4
145.10103	17.7
147.04396	100.0
147.11671	9.7
149.13274	5.0
151.11201	2.5
153.09158	1.3
157.10172	2.7
159.11670	14.2
161.13217	8.5
163.11148	1.8
163.14842	3.7
165.05484	2.0
171.11671	3.1
173.13210	9.4
175.14825	7.2
177.16362	5.4
183.11684	1.4
187.14809	12.5
189.16344	18.0
189.17789	1.8
191.14365	4.2
191.17928	4.1
197.13147	1.2
199.14844	4.4
201.16373	24.2
201.37833	1.3
203.17987	5.4
204.86266	1.2
205.15836	2.4
213.16347	10.2
215.17920	9.4
217.15866	3.4
217.19530	3.4
219.17415	15.7
227.17969	2.4
233.19034	1.9
235.16855	6.7
241.19492	2.1
243.21043	2.0
247.16943	4.6
255.21086	2.4
261.18527	2.5
267.21036	4.2
276.55902	1.4
389.31866	3.7
407.33008	20.1
408.33145	1.5
409.34930	2.9
419.34579	1.5
435.32809	4.4
453.33615	19.9
461.72430	1.3
540.09985	1.4
545.13647	1.3
617.37347	1.4
635.36694	20.6
636.36676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3951
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05506	4.3
65.03941	3.7
67.05499	7.7
67.56094	0.8
67.66279	1.1
69.03418	1.0
69.07069	3.9
69.18444	4.4
69.18840	2.3
79.05490	7.6
81.07057	12.7
83.04991	5.0
83.08614	4.4
85.06536	1.4
91.05476	24.6
93.07047	13.4
95.04952	2.7
95.08607	20.5
97.06510	2.0
97.10173	2.2
99.04390	1.1
105.07020	18.0
107.08586	21.4
107.09264	1.8
109.06514	2.4
109.10143	13.6
111.08087	1.9
114.62291	1.3
117.07026	2.8
119.04946	30.8
119.08572	24.3
121.10137	17.1
123.08032	2.4
123.11704	5.3
124.36167	1.0
125.09651	2.9
129.06975	1.4
131.08554	8.4
133.10118	12.3
135.11659	7.8
137.13315	1.5
139.07535	1.2
141.07024	1.4
143.08553	4.5
144.09328	1.6
145.10120	15.4
147.04402	100.0
147.11670	9.8
148.04689	1.7
149.09615	1.2
149.13234	2.5
155.08662	1.3
157.10095	3.7
158.10846	1.2
159.11691	16.9
161.13232	6.0
163.11119	1.2
163.14790	4.7
169.10257	1.8
171.11720	3.3
173.13257	6.6
175.14824	6.3
177.16393	4.1
183.11664	1.8
185.13310	1.7
187.14818	14.2
189.16362	17.5
189.17993	1.4
191.14305	3.9
191.17953	4.4
197.13260	2.0
199.14838	2.1
201.16383	18.5
203.17931	3.8
205.15849	2.4
207.13831	1.2
209.13300	1.0
213.16353	10.0
215.17940	9.7
217.15881	3.2
217.19504	2.1
219.17435	14.3
225.16396	1.2
227.17909	1.4
233.18968	1.8
235.16847	7.3
241.19553	2.0
243.21143	1.9
247.16971	5.6
251.12735	1.0
255.20993	1.2
261.18433	1.7
267.21173	3.4
337.25433	1.3
379.17093	1.4
389.32022	2.9
391.24380	1.1
407.33084	22.0
435.32617	4.1
453.33670	17.3
454.33929	1.2
505.27664	4.5
566.33942	1.0
612.32166	1.4
617.36218	2.5
635.36444	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	636.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.01863	2.0
55.05503	11.6
57.02023	0.8
57.03436	13.1
59.04997	3.5
61.02921	3.8
65.03922	1.5
67.05500	66.6
69.03429	3.9
69.07069	3.4
69.29334	4.5
71.04990	5.0
78.14513	0.8
78.47292	0.8
79.05487	11.6
81.03411	37.5
81.06619	1.7
81.07051	19.3
81.07506	1.5
83.04981	7.6
83.08613	18.3
85.02897	16.9
85.06550	2.4
91.03910	1.9
91.05476	17.4
93.07030	10.9
95.04955	13.9
95.08595	7.7
97.02893	3.7
97.06538	1.9
97.10166	1.7
98.22760	1.4
99.04443	0.8
105.07013	9.8
105.07504	0.9
107.04955	3.8
107.08583	5.2
109.06515	2.0
109.10146	58.2
111.04443	1.6
111.08081	7.5
117.06949	1.0
119.08571	12.1
121.10109	4.8
123.08102	1.5
123.11691	1.3
127.11244	1.1
127.84492	1.0
129.07005	5.5
129.84943	0.8
131.08562	6.6
133.06528	2.1
133.10115	7.1
137.09612	4.1
142.07671	1.0
143.55023	0.9
147.08049	1.9
147.11652	8.3
149.09610	4.4
152.82877	0.9
155.10599	4.9
157.10095	9.6
165.12766	1.9
173.11713	16.2
175.11176	8.2
193.12216	26.9
198.03098	0.9
211.13272	43.6
229.14322	56.5
230.14720	1.6
267.15869	12.7
285.16956	29.5
286.17719	1.0
421.25833	16.0
439.26865	100.0
440.27203	6.3
479.64127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01864	1.3
55.05291	1.0
55.05506	10.9
57.03436	13.0
59.04995	2.7
60.13948	0.9
61.02909	5.3
65.03938	1.5
67.05500	72.7
68.05841	1.1
69.03431	2.8
69.07056	5.1
69.29204	2.2
69.29600	3.0
71.04990	5.5
73.02892	2.2
79.05485	14.2
81.03414	34.9
81.03896	1.9
81.07051	20.2
83.04977	8.3
83.08611	17.9
85.02898	17.6
85.06548	2.4
91.03948	1.5
91.05466	17.4
93.07037	11.4
95.04967	15.9
95.08594	10.2
97.02868	2.9
97.06526	2.5
97.10150	1.4
99.08096	1.3
105.07021	9.9
107.04953	3.2
107.08576	4.6
109.06498	2.5
109.10147	59.6
110.10501	1.2
111.08073	8.9
119.08572	13.3
120.08926	1.3
121.10146	4.7
123.08019	1.2
123.11686	1.7
123.88969	0.9
129.07022	5.5
131.08554	5.2
132.00070	1.0
133.06476	2.2
133.10117	5.7
137.09636	2.8
142.07826	1.5
145.10110	1.1
147.11685	7.0
149.09604	4.0
155.10634	5.2
157.10123	8.1
165.12689	2.5
173.11722	14.8
175.11118	6.9
193.12225	26.0
211.13277	38.4
212.13539	1.2
222.25171	0.9
229.14317	61.2
230.14629	1.6
267.15866	11.7
285.16968	30.9
286.17227	2.0
421.25793	14.8
439.26868	100.0
440.27115	5.5
449.13486	1.1
510.41360	1.2
583.30994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
57.34832	0.2
59.67612	0.1
64.02383	0.1
67.01862	1.8
68.99786	2.1
69.03428	1.5
70.06572	0.5
71.42081	0.2
79.01834	0.3
81.03416	0.4
83.01328	0.5
84.26198	0.2
95.30464	0.1
96.16170	0.1
97.02879	1.2
109.02905	0.2
111.00776	0.5
111.04430	0.7
121.02868	0.5
123.04381	0.3
125.02321	0.3
127.03916	1.0
137.02299	0.3
139.03915	0.8
147.04349	0.3
149.02336	0.6
151.07570	0.1
153.01811	100.0
154.02141	1.6
163.03918	0.4
165.01776	0.4
167.03448	0.9
171.02954	0.9
175.03844	0.4
175.11778	0.2
177.05437	0.3
179.03389	1.2
183.02841	0.2
187.03918	0.4
189.05432	0.2
191.03403	0.6
193.01355	0.3
195.02869	7.6
199.03873	0.3
201.05363	0.2
203.03342	1.3
205.01317	0.2
205.04947	0.3
207.02948	0.3
215.03336	0.4
217.04976	0.3
219.02965	0.4
221.04346	0.4
227.03366	0.3
229.04930	0.5
231.02908	0.7
232.03551	0.3
233.04286	0.2
235.02144	0.2
237.05446	0.2
239.03421	0.3
241.05103	0.2
243.02812	0.5
245.04242	0.3
247.02390	0.2
251.03375	0.2
253.04997	0.4
255.02887	0.2
255.06551	0.2
257.04388	0.3
259.02365	0.2
261.03821	0.3
265.04855	0.2
267.02936	0.3
267.06436	0.3
269.04434	0.5
271.02365	0.4
273.03796	0.2
277.05084	0.3
279.06470	0.5
281.04425	0.4
285.03946	0.3
291.06470	0.3
293.04486	0.2
295.02539	0.3
295.05991	0.5
297.03952	0.3
305.04346	0.6
307.05862	0.4
309.04083	0.2
313.03479	0.4
314.04132	0.2
319.05936	0.5
321.03726	0.3
322.04626	0.2
323.05453	0.4
325.03201	0.2
327.04852	0.3
329.02805	0.4
333.03711	0.2
335.05414	0.7
337.03311	0.3
339.04932	0.4
341.06705	0.3
343.04556	0.2
345.03732	0.2
347.05405	0.5
350.04214	0.2
351.04996	1.0
353.02719	0.2
353.06622	0.4
359.04431	0.2
363.04968	0.6
365.06583	0.2
367.04562	0.3
369.06061	0.5
375.04877	0.5
379.04398	1.2
381.06070	0.4
389.02783	0.2
391.04382	1.0
393.06027	0.5
395.03851	0.3
397.05475	0.6
403.04489	0.4
405.06345	0.2
407.03912	0.8
409.05499	0.4
415.06464	0.2
419.03912	0.5
421.05200	0.4
425.05167	0.4
427.06049	0.2
431.03714	0.3
435.03387	0.5
437.05002	0.4
439.06631	0.2
447.03455	0.2
453.04636	0.5
465.04352	0.4
481.05081	0.2
503.05832	0.2
517.07666	0.2
527.05878	0.4
529.07813	0.2
545.07001	0.4
555.05371	0.6
557.06952	1.3
563.08075	0.2
573.06256	0.7
583.04810	0.7
591.07751	1.1
601.06134	1.2
609.08795	0.2
619.07068	0.7
637.24463	0.4
637.40472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20572	0.3
69.11169	1.1
69.11587	0.7
70.06581	0.3
81.07058	0.4
91.54208	0.3
93.07050	0.3
95.08658	0.2
101.31398	0.2
105.06935	0.2
109.10163	0.3
112.29698	0.3
122.09660	0.9
153.01767	0.4
167.07034	0.3
175.03616	0.5
175.19020	0.3
176.04431	0.3
177.05182	0.3
189.05289	0.8
204.03900	0.3
219.06297	0.5
233.49069	0.3
261.08807	0.4
267.68546	0.2
343.11612	0.3
394.99710	0.3
395.11179	0.4
406.17664	0.5
410.13272	0.7
425.12009	2.7
426.12430	0.3
431.08658	0.3
440.14349	7.2
441.14868	0.9
442.16034	0.9
468.17520	0.4
482.19067	0.4
607.21259	0.6
619.27899	0.4
623.98029	0.3
637.22437	100.0
638.22882	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	637.225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91021	0.1
67.05482	0.2
71.33102	0.1
76.29832	0.1
81.07070	0.2
93.06999	0.2
109.10117	0.7
111.89119	0.1
118.15192	0.2
135.23125	0.2
153.01845	0.5
175.03696	0.3
177.05223	0.2
199.82260	0.1
203.59132	0.1
204.03998	0.2
204.10176	0.2
219.06349	0.3
261.08667	0.5
286.08505	0.2
287.08759	0.2
301.17993	0.1
325.10547	0.2
338.80582	0.1
343.11258	0.2
395.10977	0.2
398.16757	0.2
410.13470	0.5
425.12009	2.8
440.14340	7.7
441.15094	0.8
453.15164	0.3
464.17676	0.2
468.18042	0.2
558.31110	0.2
575.30914	0.2
589.20398	0.4
591.30835	0.3
607.20807	0.3
619.27679	0.2
622.19965	0.2
637.22375	100.0
638.22723	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	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19767	2.6
96.73838	1.8
167.80095	1.9
174.42714	2.1
206.95688	2.2
239.55331	2.3
271.62540	2.0
391.19467	3.5
392.19608	2.8
393.20566	4.0
400.16806	5.4
401.17624	5.3
407.21964	3.3
413.17282	4.2
414.18262	5.1
415.19223	9.3
417.21390	2.0
421.20166	3.7
428.20139	4.6
429.21304	10.7
433.20755	2.1
441.17319	2.5
443.18188	6.7
444.19537	6.1
457.20087	6.0
458.20792	5.4
471.21704	5.3
472.22751	4.1
473.19736	6.1
474.20151	2.1
485.19580	3.5
486.20538	9.1
487.21597	3.1
499.21405	10.7
500.21976	3.1
503.24332	3.5
517.22174	6.0
527.20465	2.7
531.24036	13.4
559.23279	97.0
560.23016	5.9
587.22778	18.4
619.25439	100.0
620.25433	8.1
637.26416	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	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05505	3.0
57.03421	1.4
64.69893	0.8
66.91913	0.9
67.05498	7.4
69.03419	1.9
69.07063	1.5
71.04975	1.4
79.05497	4.3
81.03412	7.0
81.05799	0.8
81.07048	3.3
83.04977	1.7
83.08610	3.1
85.02895	3.1
91.05464	3.9
93.07049	3.9
94.06532	1.4
95.04952	2.7
95.08594	2.9
96.08136	1.3
97.02867	1.9
99.04471	1.2
100.11236	0.9
105.07022	3.7
105.08068	0.7
106.06578	1.3
106.41694	0.8
107.04923	2.0
107.07322	3.1
107.08588	2.5
107.31676	0.8
109.02845	1.1
109.10139	4.0
110.09674	1.7
110.10435	1.1
111.04414	1.7
111.08091	0.8
119.08541	2.4
121.06502	1.7
121.10154	1.7
122.09648	14.5
123.04397	0.8
124.07583	7.4
129.07004	1.6
131.08583	2.9
133.10129	1.6
134.09663	1.4
135.08063	1.0
135.11670	2.0
137.05916	0.9
138.09128	3.8
145.08902	0.9
145.10056	1.5
147.11664	1.4
148.11176	5.6
150.09142	4.4
158.02525	0.8
159.08066	0.8
165.16936	0.8
166.08623	1.8
173.09569	1.0
174.09210	1.3
175.11200	1.4
176.10727	3.4
178.12285	0.8
184.07234	1.1
185.07047	2.1
186.07793	1.6
186.09261	0.8
187.08636	2.9
193.12314	1.7
194.11742	1.0
199.04982	2.5
199.08530	0.8
200.05833	1.5
204.10216	7.7
205.09793	2.4
206.15863	1.0
209.11855	0.9
211.13281	3.4
213.06548	1.3
215.08099	5.6
217.06075	1.7
218.06808	2.4
219.07452	1.2
219.11688	1.1
223.10675	1.0
229.14305	1.9
230.14619	1.1
231.07764	1.7
233.09219	9.3
247.10918	1.0
249.08752	1.6
251.10318	6.2
257.09088	1.4
259.07135	4.5
261.08633	2.5
261.12201	1.1
269.09161	0.9
273.12238	1.1
275.13916	0.8
276.14865	1.4
277.08163	46.2
278.08453	2.6
285.08688	2.2
285.16934	1.8
287.10242	3.5
290.16635	1.7
291.16965	1.1
299.10284	1.8
302.12881	7.6
303.13351	1.1
305.18881	0.9
314.12747	1.0
316.14331	2.3
317.15186	2.8
318.12585	1.2
318.16025	1.2
318.19507	1.6
320.13928	1.1
330.16046	1.3
331.16760	4.5
332.17422	1.6
334.15527	2.3
335.16385	1.7
346.15567	1.0
346.19278	5.4
347.16977	1.0
348.16891	1.6
360.13507	4.2
360.20648	4.2
361.14142	11.1
362.14703	3.1
362.18680	2.0
363.19452	1.4
364.20172	8.4
367.15436	1.1
374.14847	2.3
375.15756	1.9
376.16653	1.1
379.15271	1.6
380.15610	1.1
380.19751	2.7
382.21078	1.7
383.22458	0.9
385.39313	1.2
388.16446	1.6
390.18082	48.8
391.18549	4.2
392.19400	1.9
393.64224	1.0
405.20303	1.0
406.17526	8.0
408.19186	11.8
416.18112	26.7
418.17542	1.0
422.26257	1.0
426.20102	3.8
434.17273	5.2
436.18018	0.9
439.26385	1.5
440.27319	3.8
452.18094	8.9
454.19598	7.2
457.25699	1.9
475.26706	3.4
475.33386	1.4
480.17484	4.9
529.28094	22.1
530.28314	1.9
545.27789	1.1
547.28888	2.8
573.26581	2.2
591.28046	100.0
592.28381	7.6
619.27502	51.2
619.34766	0.6
619.37970	1.7
620.27728	5.1
637.31854	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	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.7
57.49484	1.5
59.93279	1.5
67.05496	6.3
69.03407	2.1
71.02457	1.5
81.07039	3.3
91.05482	7.6
93.05767	1.8
93.07052	5.3
94.05543	1.7
94.06580	11.0
95.04954	2.1
96.04496	2.6
98.06038	2.7
105.03384	4.3
105.07013	2.3
107.08575	2.1
108.08107	10.3
110.05976	2.3
118.06587	1.7
119.04906	6.0
120.08071	2.6
121.06472	2.2
121.10172	1.9
122.06020	35.0
123.06825	2.4
124.07563	5.0
126.05656	1.6
129.07089	1.9
134.06032	2.1
136.07576	34.0
138.09126	28.4
140.07065	5.7
144.07912	1.7
146.06015	4.1
146.09644	2.1
147.04413	4.3
148.07614	2.0
149.07097	3.8
150.05438	2.1
153.01805	3.7
158.06061	2.4
160.07613	2.6
162.05498	4.9
163.08624	2.2
164.07053	75.5
164.10768	4.7
172.07555	2.2
173.07088	2.3
174.05576	2.1
174.09157	12.6
175.08704	3.3
176.07060	2.3
177.06616	9.7
181.09708	28.2
184.41911	1.8
185.74384	1.7
186.05457	2.1
187.08716	2.1
188.07019	7.0
189.06564	2.0
189.10258	3.6
191.08131	23.7
192.10164	3.4
200.07101	4.4
201.06589	7.1
201.10373	2.6
202.07040	3.4
202.08749	21.1
203.08127	42.0
204.06569	22.1
204.08379	3.2
205.09689	3.5
213.10208	4.2
215.08127	4.7
215.11690	3.0
217.09721	29.8
218.08098	2.9
219.11284	1.9
220.09659	4.4
227.08167	4.0
228.08807	2.4
229.06047	18.4
229.13240	3.6
230.08139	15.4
231.07661	4.1
231.11276	4.5
233.09224	4.8
235.10757	4.8
239.08138	2.1
241.09732	4.5
241.13391	1.9
242.08215	2.1
243.07726	9.1
243.11316	5.1
244.09822	2.9
245.09204	51.5
245.12900	2.9
246.07571	9.8
246.09782	2.3
247.10817	4.8
248.09155	10.8
257.09073	9.2
257.12894	4.3
259.10794	10.5
259.14279	2.9
261.08719	36.7
261.12302	3.6
263.10233	60.3
264.10614	3.3
269.09177	5.6
269.12723	2.0
271.07202	10.7
271.09848	1.9
272.09222	8.5
273.12488	4.3
275.13934	7.3
277.11844	5.0
285.08618	7.3
285.12183	3.3
287.10263	31.9
288.08417	3.4
289.08182	5.8
289.11435	3.3
290.10129	2.8
291.09741	2.8
299.13794	4.5
301.11789	47.2
302.12180	2.5
305.11261	78.5
306.11572	2.8
307.12808	14.8
313.08173	11.5
315.09583	2.0
317.14746	2.4
319.12881	6.1
322.15451	4.1
326.15039	1.9
331.09262	7.2
333.10849	5.6
338.15002	2.2
339.17023	2.7
348.17267	2.3
352.16513	4.5
360.17139	2.6
364.16260	3.1
366.17947	9.6
378.18100	7.0
380.15753	3.4
381.17911	5.0
398.16766	8.0
402.18112	1.7
406.17667	10.9
407.16776	2.4
408.19138	4.7
420.19196	8.3
424.18616	8.3
426.20520	33.8
427.20428	2.4
434.17050	8.1
436.18698	3.8
438.20142	10.7
444.21286	36.7
445.21301	2.2
450.16281	14.8
452.18063	56.1
453.18521	2.1
456.21237	2.5
468.17368	19.2
469.17865	2.6
470.12659	3.1
470.19165	40.0
471.19022	2.7
482.19064	9.3
495.21188	1.7
543.25714	5.1
571.25586	10.4
573.26965	4.0
589.26501	100.0
590.27014	11.1
601.26526	2.6
607.27441	37.3
608.27313	3.9
619.27625	18.6
637.27942	5.1
637.37799	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54576	2.6
55.01865	6.1
67.05499	7.6
68.19142	1.9
69.19327	3.4
69.19729	11.5
76.14835	2.1
87.73988	1.9
91.05459	5.7
93.07027	6.5
94.06549	10.1
95.04939	3.2
98.06093	3.9
98.23068	11.0
101.04856	2.5
108.08086	10.8
119.04936	7.1
121.06492	2.7
122.06014	35.1
123.06834	3.0
124.07574	6.6
126.41738	2.3
136.07556	36.8
138.09142	23.2
140.07031	5.5
142.06487	2.4
146.06071	3.2
146.09660	2.9
147.04362	4.1
149.07097	2.6
150.05527	4.8
153.01782	3.6
158.08095	2.2
160.07468	3.8
162.05489	5.1
163.08621	2.9
164.07042	80.8
164.10709	5.6
172.07587	5.5
173.07104	3.2
174.09096	11.0
175.08694	4.6
177.06575	6.4
181.09703	21.0
186.05411	3.6
187.08595	2.4
188.07028	7.9
189.10127	3.5
191.08125	30.4
192.10181	4.8
200.07056	6.7
201.06577	9.5
201.10248	2.6
202.05669	2.5
202.07062	4.0
202.08884	14.2
203.08127	49.0
204.06558	22.5
204.10162	3.5
206.08121	2.8
213.10193	5.8
215.08218	5.4
215.11690	4.1
217.09676	33.6
218.08037	3.3
219.11296	4.7
220.09589	3.6
225.10201	3.7
226.11020	3.1
227.08112	5.6
229.06064	20.1
230.08063	10.7
231.07790	3.1
231.11240	4.9
233.09207	8.8
234.09898	2.8
235.10725	3.2
241.09703	8.5
241.13283	3.9
243.07617	6.5
243.11270	5.0
245.09222	49.9
245.12839	4.7
246.07608	9.1
247.10760	4.3
248.09175	11.7
257.09140	15.0
257.12799	6.2
259.10757	16.8
259.14429	2.8
261.08676	57.6
261.12030	4.0
262.08923	2.5
263.10229	55.7
264.10406	3.1
265.11771	2.9
269.09195	4.5
270.10275	2.2
271.07095	10.1
272.09094	7.3
273.12308	4.7
274.13028	4.6
275.13913	11.8
277.11856	6.0
283.10818	2.9
284.11176	2.2
285.08688	18.6
285.12302	33.6
286.12680	2.7
287.10162	36.1
289.08252	5.5
289.11618	4.8
301.11771	42.5
305.11285	79.8
306.11774	4.1
307.12759	16.2
313.08224	15.7
319.12878	6.3
319.16705	6.2
322.15283	4.9
329.11371	2.6
331.09167	16.6
333.10831	5.2
348.13284	3.4
350.14609	3.1
352.16476	3.1
360.16928	3.7
364.16302	3.3
366.18234	8.9
376.12604	3.8
377.13766	2.7
378.18250	12.8
378.22232	2.5
380.15485	2.7
380.19928	3.9
381.17569	3.3
392.15387	2.6
398.16724	15.3
406.17569	45.3
408.19418	18.2
420.19095	9.8
424.18542	7.3
426.20471	48.4
427.20709	2.7
434.16977	5.7
436.18826	3.1
438.20059	8.6
444.21344	51.6
450.16437	20.9
452.18115	79.7
453.18192	5.2
468.17667	29.4
470.19263	49.0
482.19116	35.1
500.19821	9.2
543.26184	5.6
571.25220	13.6
573.26563	3.8
589.26477	100.0
590.26697	9.4
607.27533	35.7
608.27808	3.3
617.38391	2.6
619.27600	64.3
620.27753	4.5
637.27692	7.4
637.37689	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88847	2.8
55.01881	4.1
62.58243	1.9
67.05476	5.6
69.72337	7.0
69.72681	2.3
70.03571	2.2
79.05495	2.0
91.05448	6.5
93.07053	3.9
94.06564	8.6
98.06035	4.7
108.08086	10.8
118.06532	4.0
119.04927	5.2
121.06529	3.6
122.06023	39.4
122.09586	2.8
123.08096	3.5
136.07564	33.5
138.09140	19.6
140.07053	6.1
144.92873	2.2
147.04378	3.6
148.07570	2.3
149.07141	4.4
150.05522	3.2
160.07620	5.5
162.05463	4.3
164.07054	87.6
164.10709	2.4
172.07556	3.0
174.09109	12.9
175.08739	3.7
177.06564	12.0
181.09700	27.0
182.08128	2.4
186.05489	3.5
186.29422	2.4
188.07076	7.9
189.10208	6.1
191.08113	27.4
192.10120	2.7
199.08794	2.8
200.07057	4.7
201.06645	4.8
202.07326	1.9
202.08705	18.8
203.04625	2.8
203.08124	44.3
204.06592	17.7
205.09770	3.8
213.10173	4.8
215.08084	4.7
217.09683	25.6
218.08069	5.6
219.11285	6.8
227.08078	4.6
229.06090	20.1
230.08115	14.7
231.07764	5.2
231.11253	5.1
233.09209	4.6
235.10780	5.9
241.09723	3.3
243.07655	6.6
243.11266	4.0
244.09682	3.8
245.09201	55.2
245.11798	3.4
245.12923	5.1
246.07567	6.9
247.10837	4.5
248.09218	11.8
257.09216	5.2
257.12799	3.1
259.10602	11.1
261.08624	14.5
261.12372	3.6
263.10242	58.0
265.11783	3.9
271.06955	13.7
272.09235	7.7
274.13162	2.9
275.13861	7.9
277.12024	4.9
285.08844	2.8
287.10184	29.7
289.08438	4.5
289.11496	3.2
290.10104	4.2
299.13824	3.4
301.11774	31.5
305.11285	92.5
306.11691	2.8
307.12842	18.0
307.96387	2.7
313.08218	6.4
319.12964	5.5
322.15222	2.8
333.10760	9.7
336.16693	3.0
340.12827	4.0
364.16342	3.1
366.18170	13.7
378.17990	3.6
378.71686	3.2
381.18164	4.3
384.19565	2.7
398.16574	4.0
406.17505	8.5
408.19040	5.9
420.19022	11.0
424.18643	10.7
426.20514	39.7
427.20532	3.7
434.16989	7.0
438.20163	7.9
444.21347	45.2
450.16492	17.3
452.18118	43.2
468.17557	24.6
470.19131	48.3
482.19147	4.3
555.25830	2.8
561.27161	2.4
571.25446	13.4
573.27167	4.0
589.26575	100.0
590.26978	10.2
601.26459	6.6
607.27625	49.3
608.28082	3.8
619.28082	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	637.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
67.05482	2.0
69.03416	1.1
69.07038	0.8
69.21117	3.7
70.83659	0.7
79.05479	1.5
79.47805	0.8
81.03411	1.6
81.07034	3.2
85.02893	0.8
91.05482	2.4
93.07042	3.0
95.04956	1.2
95.08581	2.2
97.06505	1.3
97.10144	0.7
98.23438	1.4
105.07008	0.9
107.07314	1.5
107.08566	3.0
108.08088	1.1
109.10107	1.2
119.08564	0.9
121.10137	1.2
122.05996	2.1
122.09647	8.2
123.08026	0.9
124.07513	1.0
131.08540	0.9
133.10098	1.3
136.07587	3.5
137.05954	3.4
138.09117	2.9
139.11021	0.8
140.07111	0.8
149.09575	1.0
153.01804	5.5
159.08015	0.9
164.07047	8.8
164.10699	2.1
171.09210	1.1
173.09587	1.0
176.10658	0.7
181.09607	0.9
187.08632	1.2
189.10159	1.4
191.08118	1.0
192.10194	0.9
200.09444	1.3
201.06552	3.2
202.07312	10.5
202.08839	0.6
203.08170	4.2
204.06516	2.3
204.10138	1.4
211.08636	0.9
212.09427	0.9
213.10350	1.2
213.12682	0.7
215.08205	2.0
217.09720	12.9
219.73453	0.7
225.10146	2.0
229.06078	4.2
229.09496	0.7
230.08078	0.8
231.11366	0.8
233.09222	8.2
235.10744	2.6
241.09691	1.4
243.07594	2.0
244.91029	0.7
245.09195	5.9
246.07539	0.9
247.10655	0.9
257.09180	17.0
259.14459	0.9
261.08682	100.0
262.08945	2.4
263.10294	5.5
269.09143	2.2
271.07144	1.8
271.10767	1.1
275.13824	1.0
284.11542	3.4
285.08658	22.2
285.12216	6.5
286.09033	1.4
287.10245	3.9
291.13474	1.5
292.14307	1.0
301.11804	2.9
302.12943	0.9
305.11310	12.6
305.33447	0.8
307.12964	1.0
313.08133	16.2
319.13089	0.9
319.16684	1.5
322.11853	1.3
322.15686	1.0
331.09213	21.2
334.11700	0.8
334.19199	1.2
335.12656	1.1
336.13568	3.8
336.17041	1.0
347.16049	1.3
348.13184	1.3
349.14059	1.2
350.14966	7.0
356.71060	0.8
361.14273	0.9
362.11047	1.8
362.14954	1.4
364.16550	1.9
376.12848	1.0
377.13788	6.0
378.14026	1.0
378.18143	9.7
380.19550	2.5
390.18335	1.6
391.15732	1.2
392.19464	2.9
393.16376	1.0
398.17050	24.5
399.17447	1.2
406.17566	46.9
407.17889	3.2
408.19312	6.8
418.17578	1.8
420.19287	1.7
421.16159	3.0
422.17001	1.3
425.15634	0.9
426.20493	4.7
434.16904	2.5
436.18613	24.3
437.18933	1.8
438.20163	3.2
439.32043	2.0
444.21353	4.6
449.15543	1.0
452.18106	7.0
453.15250	3.3
454.19919	1.2
456.21378	1.7
457.33252	0.9
464.18079	5.0
467.16629	2.7
468.17566	14.0
470.19196	2.9
482.19119	55.1
483.19495	3.4
500.20267	1.7
573.26898	2.4
589.26544	5.4
591.27417	1.4
601.26434	1.8
607.27466	3.6
619.27545	87.9
620.27716	7.1
637.28479	9.3
637.38153	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57193	2.7
54.39034	2.5
55.36477	2.7
60.33764	2.7
69.12590	18.5
101.92069	3.6
101.92792	3.9
104.01928	2.7
125.10873	3.3
182.94072	3.5
244.72864	3.0
405.20642	3.8
406.21472	7.3
416.20160	3.8
419.22058	3.9
420.23175	4.3
421.23907	12.5
429.21017	17.1
443.22366	10.1
444.23224	8.7
445.20203	5.5
457.24768	3.4
458.24649	11.0
459.21872	11.0
460.22717	5.7
461.19635	9.5
462.83347	3.6
472.22748	8.8
475.21594	4.5
476.21991	8.6
485.23346	10.7
488.10248	3.4
488.22174	5.5
503.24374	23.7
513.22754	4.9
517.25848	8.6
535.27228	25.1
545.25482	85.3
546.25848	4.4
563.26642	8.2
573.25031	19.8
605.27576	72.1
606.27625	7.6
637.30139	100.0
638.30206	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	637.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63933	1.4
71.22662	1.5
94.31553	1.3
112.28727	1.4
118.11745	1.6
264.33704	1.3
279.55954	1.3
285.81787	1.8
341.67609	1.4
402.67261	1.3
415.19421	2.3
419.22635	1.7
430.74731	1.4
431.18411	2.3
444.19357	2.1
445.19962	6.7
456.06458	1.7
458.20990	6.2
459.21762	5.0
460.22528	4.6
475.21207	2.2
476.22424	1.4
477.22952	1.9
518.23346	4.5
533.24927	2.3
566.68140	1.6
577.28748	1.7
605.27618	11.2
637.30127	100.0
638.30188	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	637.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01857	0.4
55.05504	1.2
57.03436	1.3
61.02632	0.2
61.02924	3.2
67.05499	4.4
69.03422	1.8
69.07082	1.1
70.15582	0.2
70.15903	0.4
71.01325	0.3
71.04975	0.9
73.02907	2.0
76.57726	0.2
79.05482	4.1
81.03399	1.8
81.07050	2.3
83.04962	0.8
83.08608	0.5
85.02898	3.4
85.06509	0.3
87.04489	0.2
91.03959	2.2
91.05487	1.8
93.07034	4.8
94.12158	0.3
94.22189	0.2
95.04955	0.7
95.08591	0.7
97.02885	3.0
97.06519	1.0
97.10136	0.9
99.04453	0.7
99.08050	0.3
101.02374	1.2
103.03914	0.3
105.07021	0.5
107.04931	0.3
107.08585	2.9
109.02879	0.9
109.10162	0.7
117.06942	0.5
119.08546	0.5
121.10106	0.5
122.04420	0.2
125.09666	0.4
127.03899	1.3
133.10129	0.5
134.21690	0.2
135.08073	0.2
135.11676	5.2
136.11974	0.2
145.04973	0.3
145.10075	1.3
163.11111	0.6
169.99199	0.2
181.12196	1.0
185.04250	0.5
221.11426	1.6
243.08363	1.5
255.15990	0.7
277.14114	0.8
283.15210	0.2
353.23083	0.3
413.17648	0.8
439.19321	12.9
440.19705	0.8
465.21027	0.7
475.26361	0.3
637.31677	100.0
638.32098	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	637.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
57.03428	1.9
57.52630	0.4
61.02921	4.1
67.05502	7.2
69.03418	2.7
70.37608	0.8
70.37945	0.9
73.02914	2.5
79.05486	3.4
81.03426	2.4
81.07051	3.9
83.04974	1.1
83.08609	0.9
85.02899	3.3
91.03948	2.5
91.05467	3.5
93.07038	3.6
95.04971	1.3
95.08595	2.2
97.02880	3.3
99.04441	0.5
101.02387	1.5
105.07022	2.6
107.04946	0.5
107.08573	1.4
109.02873	0.8
109.10148	7.1
117.07008	0.9
119.08591	1.8
121.10212	0.6
122.70014	0.5
123.54675	0.5
127.03901	1.8
129.07002	1.1
133.10120	0.8
145.10139	0.9
147.11687	1.5
163.11275	0.5
171.11731	1.3
173.11758	2.2
186.59424	0.5
195.10001	0.8
229.14343	1.2
243.08443	1.8
247.13194	0.8
303.15656	0.6
390.37119	0.5
406.39972	0.5
413.17725	7.4
457.25833	0.8
465.20868	7.6
466.21484	0.5
527.37518	0.6
637.31818	100.0
638.32043	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	637.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03935	7.4
55.01863	11.1
55.05505	26.7
57.03434	10.3
59.05006	2.2
65.03946	2.3
67.05499	34.9
68.05833	1.2
69.03426	18.2
69.07066	8.6
71.04987	7.0
76.81298	1.0
77.03933	1.7
79.05484	31.7
81.03410	100.0
81.07049	30.6
82.03735	1.4
83.01345	3.1
83.04974	23.9
83.05439	1.8
83.08609	21.4
85.02905	17.9
85.06541	2.2
91.05472	30.9
92.05804	1.2
93.07034	29.5
95.04958	26.3
95.05528	2.0
95.08599	12.8
97.02879	17.5
97.06515	7.0
97.10168	7.3
98.23505	2.8
99.04439	7.9
103.05472	1.5
105.04512	1.5
105.07024	20.3
107.04947	14.7
107.08579	15.2
109.02865	21.4
109.06509	5.8
109.10136	11.6
110.10493	1.5
111.04433	14.6
111.08063	8.8
111.30963	1.1
115.05478	1.9
117.07004	8.3
119.04918	1.8
119.08571	16.7
121.06525	6.1
121.10125	13.5
122.09653	2.2
123.04432	3.0
123.08073	5.6
123.11717	3.1
125.06007	2.6
125.09627	6.8
127.03908	14.6
129.05525	1.9
129.06985	8.9
131.08546	9.8
133.06543	3.9
133.10110	7.9
135.04500	1.2
135.08075	3.1
135.11671	10.5
137.05981	1.6
137.09633	1.4
141.07011	1.1
142.07825	2.7
143.08577	1.7
145.06514	2.3
145.10086	12.4
147.04408	1.9
147.08072	5.7
147.11667	11.8
149.05971	2.7
149.09624	6.4
153.12749	8.5
155.08615	1.7
157.10114	8.4
159.08066	1.1
160.30098	1.1
161.05969	2.3
163.11154	18.9
165.05492	1.6
165.12756	2.6
171.11838	1.4
173.04434	4.4
173.05951	1.6
173.09645	5.7
173.11743	1.9
175.11215	7.6
181.12170	8.8
187.07524	1.3
189.05533	1.2
189.11255	3.2
191.10677	6.6
193.12227	30.8
194.12537	1.5
205.12187	1.4
209.11659	6.2
211.11217	2.2
211.13255	41.5
212.13708	1.6
219.13760	1.3
223.13290	1.4
227.12692	16.5
229.14410	5.0
230.14764	1.6
231.13698	1.6
235.13280	1.9
243.13794	1.2
249.14925	1.4
259.13199	1.4
265.14478	3.3
267.15884	11.7
271.13290	1.8
273.14832	2.5
277.08163	5.4
277.14374	1.9
283.15414	15.5
285.17038	5.1
289.14371	2.2
301.14386	4.2
309.16977	2.9
319.15161	1.6
337.16580	3.1
353.16064	4.9
355.17566	5.7
355.22031	1.4
361.14139	1.1
375.18100	2.0
383.22195	4.8
385.18646	1.5
390.18210	4.0
391.17700	1.7
393.18811	1.5
401.23145	1.9
409.18790	2.4
411.20242	3.5
416.18201	2.8
422.26508	1.7
427.19705	3.3
439.26758	3.1
440.27280	10.8
457.26047	7.4
475.26923	18.2
475.33725	2.3
493.27808	15.9
529.27863	1.5
559.29047	1.4
591.28107	12.0
601.29865	1.9
619.30884	10.4
637.32178	61.5
638.32550	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.6
55.01867	4.5
55.05507	21.9
57.03434	17.5
57.07073	3.6
61.39729	1.5
65.03933	4.3
67.05499	78.4
69.03423	21.7
69.07058	20.3
71.01327	2.2
71.04993	7.6
73.02923	2.3
73.06545	2.2
73.72632	1.9
79.05483	80.0
81.03409	43.2
81.07049	83.3
83.04977	24.0
83.08623	15.4
85.02893	12.0
85.06535	5.4
91.05472	64.2
91.37836	2.1
93.07037	89.1
95.04958	27.2
95.08595	31.6
97.02901	9.3
97.06523	8.9
97.10131	3.9
99.04429	3.5
99.08067	2.9
103.05434	2.1
105.04506	6.4
105.07021	40.5
107.04953	11.6
107.08586	32.0
109.02883	7.0
109.06512	8.0
109.10130	5.0
111.04437	2.9
111.08086	6.9
115.05450	2.8
117.07003	19.0
119.08569	25.3
121.06493	5.5
121.10126	16.1
123.04443	2.3
123.08026	5.3
123.11712	2.4
125.09587	2.6
127.03911	7.3
128.06235	5.3
129.05466	4.4
129.07001	17.9
129.28395	1.6
131.04941	1.9
131.08569	17.7
132.08826	1.5
133.06485	4.9
133.10127	13.1
135.08020	2.5
135.11674	6.7
137.09619	2.4
141.06943	3.0
143.08528	9.7
145.06496	4.8
145.10068	9.0
147.08064	3.4
147.11662	26.7
149.09660	2.1
149.13222	22.8
155.08517	3.1
157.06487	2.8
157.10068	2.9
159.07948	2.4
159.11665	11.5
161.09615	3.9
161.13210	7.7
163.11172	1.8
165.12808	2.1
167.08597	3.1
169.10088	2.3
171.07912	2.2
171.11676	17.7
173.04483	4.5
173.09665	1.7
177.12689	8.3
181.10077	3.1
189.12729	8.9
195.13789	7.7
207.13779	21.6
223.54877	1.7
225.14777	3.0
239.14227	2.2
241.15805	4.9
247.65065	1.8
267.16028	2.1
269.15475	3.1
269.17596	24.3
281.17487	32.9
287.16370	7.2
315.49884	1.8
321.16922	1.7
326.19312	1.8
339.17767	4.5
351.18042	2.2
361.20081	2.7
407.20432	2.2
413.21674	8.2
425.21686	3.9
445.28995	1.9
475.30505	100.0
476.31244	3.5
489.31903	1.8
499.30264	1.7
527.33862	1.9
539.33411	2.8
555.32819	3.7
619.34613	19.3
620.34930	2.7
637.39148	36.6
638.39148	2.3
660.50427	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
63.82496	0.1
67.01862	1.7
68.99780	1.4
69.03427	1.4
70.09721	0.1
79.01845	0.3
81.03410	0.2
83.01331	0.3
85.02898	0.1
85.19594	0.1
86.55869	0.1
92.99760	0.1
95.08602	0.2
97.02885	1.1
107.04936	0.3
111.00809	0.3
111.04466	0.1
121.02839	0.1
125.02307	0.2
127.03917	0.3
139.03886	0.3
143.04935	0.1
149.02333	0.3
153.01813	100.0
154.02145	1.5
163.03969	0.2
167.03392	0.4
171.02898	0.3
171.04420	0.3
173.06007	0.2
179.03358	0.2
183.04378	0.1
189.05490	0.3
191.03307	0.2
195.02866	2.8
196.03302	0.1
199.03821	0.6
200.04707	0.1
201.05464	0.4
203.03346	0.2
211.03868	0.2
215.03369	0.2
217.04958	0.5
227.03403	0.4
228.04041	0.1
229.04919	0.6
231.02792	0.1
241.05095	0.1
243.02959	0.1
245.04419	1.3
253.04897	0.2
255.02774	0.5
257.04416	1.3
259.02274	0.2
261.03870	0.5
261.08621	0.2
269.04492	0.2
271.02350	1.0
273.03906	1.3
274.04816	0.1
275.05350	0.8
279.03238	0.1
281.04544	0.2
285.04031	0.5
287.05560	0.1
289.04288	0.1
291.04871	0.2
293.04376	0.2
296.06485	0.1
297.04010	0.3
301.03387	5.7
301.18015	0.2
302.03946	0.3
303.04898	0.5
307.05890	0.2
311.01868	0.1
325.03336	0.3
329.02957	0.4
331.05945	0.2
335.05313	0.2
339.04950	0.1
353.02811	0.3
357.03537	0.1
359.05505	0.4
363.04907	0.5
375.05008	0.3
387.04858	0.2
391.04410	0.5
393.06366	0.1
395.03873	0.2
403.04437	0.3
405.06161	0.2
409.05688	0.2
415.04144	0.1
419.04041	0.3
421.05594	0.2
423.07117	0.2
427.06430	0.4
431.03824	0.1
433.05313	0.3
437.05048	1.3
439.06464	0.1
449.04953	0.2
451.06592	0.5
455.05804	0.1
469.07620	0.9
477.04507	0.1
495.05869	0.1
575.08661	0.1
585.06616	0.4
603.07642	2.1
639.25739	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	639.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.15680	0.1
62.73977	0.1
67.01855	1.6
68.99776	1.5
69.03423	1.6
79.01837	0.3
81.03400	0.2
83.01318	0.5
85.02878	0.3
97.02885	1.1
105.06994	0.2
107.04915	0.1
111.00800	0.2
121.06418	0.1
123.08065	0.1
127.03899	0.2
133.06456	0.2
137.02318	0.1
139.03918	0.2
149.02338	0.2
153.01804	100.0
154.02147	1.9
155.02313	0.1
161.05992	0.2
167.03345	0.3
167.07140	0.2
171.02939	0.3
179.06921	0.1
189.05548	0.2
193.08627	0.3
195.02847	1.6
199.03833	0.4
201.05507	0.1
211.09654	0.5
217.04971	0.5
227.03354	0.2
229.04924	0.4
231.02791	0.2
241.04912	0.1
245.04460	0.9
255.02939	0.2
257.04422	0.7
261.03955	0.6
265.07584	0.2
271.02313	0.5
273.03931	0.6
275.05463	0.5
283.17020	0.1
285.04019	0.2
291.04935	0.3
295.05936	0.2
297.03842	0.4
301.03381	2.9
302.03632	0.2
303.04938	0.4
313.03275	0.2
329.03036	0.3
359.05319	0.2
363.04855	0.5
391.04401	0.4
393.05609	0.1
405.05798	0.2
409.05554	0.2
423.06653	0.2
427.06436	0.2
433.05887	0.2
437.05054	0.8
439.06207	0.3
451.06458	0.2
455.06412	0.2
459.27042	0.4
469.07587	1.3
495.06049	0.2
579.18115	0.2
585.06995	0.3
603.07605	2.6
621.07697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55053	0.4
67.05521	0.4
69.32455	1.7
72.48590	0.5
88.19918	0.3
91.05505	0.7
98.23082	1.7
101.64442	0.4
102.76440	0.3
105.07066	0.5
122.09655	0.4
137.05968	0.9
153.01842	0.9
153.05547	0.5
161.05956	0.5
167.07063	1.4
175.03685	0.8
187.07477	0.6
189.05197	2.8
205.04704	1.3
232.07010	0.6
261.08679	0.4
339.12164	1.8
351.12323	1.0
363.12006	0.6
367.11679	1.3
379.11462	1.2
381.13284	0.6
382.13745	1.9
383.14682	0.5
394.13794	1.6
395.14661	0.4
397.12549	2.9
399.14044	0.9
411.14191	1.0
412.14825	5.3
413.15564	2.0
427.13559	0.5
442.16364	0.9
470.19409	0.4
609.23163	0.5
621.28864	1.4
639.23962	100.0
640.24329	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	639.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
59.13382	0.4
60.69966	0.5
69.13708	2.9
71.31213	0.4
76.85085	0.4
81.07068	0.7
83.08602	0.5
91.80092	0.4
95.08612	0.5
100.11253	1.7
109.10136	0.6
119.08556	0.4
131.69334	0.4
137.05980	0.7
153.01825	1.8
176.04509	0.6
182.15491	1.0
189.05263	1.9
205.04745	1.0
210.14890	1.0
211.76704	0.4
226.19116	0.6
259.99051	0.4
261.08694	1.0
363.12115	0.8
367.11694	1.0
379.11414	1.5
382.13730	1.9
383.14795	0.5
392.26520	0.5
394.13699	1.6
397.12625	2.8
400.18643	0.7
406.17841	0.5
411.14215	1.0
412.14883	5.0
413.15723	1.4
470.18851	0.8
549.89807	0.4
566.90045	0.5
609.22900	1.0
621.29041	1.3
628.30243	0.5
639.24005	100.0
640.24463	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	639.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50304	1.4
62.95982	1.3
63.70646	1.5
81.03414	1.7
81.07043	2.6
82.98489	1.2
91.05508	2.1
93.07034	2.7
95.08613	2.5
107.03725	1.3
114.03352	1.3
133.87126	1.4
137.06001	4.0
175.09184	1.3
177.29617	1.3
183.05603	1.4
189.05212	26.2
203.06891	1.7
203.26741	1.3
216.07553	3.1
217.04834	1.5
219.06058	1.6
233.07846	35.4
234.08594	13.3
247.09396	20.5
295.55957	1.4
301.17966	1.8
305.44022	1.5
330.76645	1.3
339.12247	2.5
397.12750	2.1
411.14020	2.1
420.80942	1.4
429.14767	1.8
441.33835	5.7
444.17557	42.4
445.18329	10.2
529.40546	1.6
579.22461	3.7
584.96082	1.5
609.23120	9.7
618.04620	1.8
639.23901	100.0
639.32239	6.1
640.24103	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	639.2808
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03948	0.4
55.01872	1.3
55.05501	2.3
57.03432	0.8
61.59393	0.3
67.05497	3.9
69.07063	2.4
69.60421	0.4
70.51916	0.3
77.74522	0.3
79.05488	3.3
81.03421	0.6
81.07039	3.9
83.04979	0.7
83.08614	0.8
85.06568	0.6
91.05466	3.9
93.07044	3.1
95.04932	1.8
95.08582	2.3
97.02899	0.8
97.06540	1.2
97.10175	1.0
105.07007	3.3
107.04951	1.1
107.08584	2.4
109.06531	0.9
109.10139	1.0
113.06036	0.6
117.07035	1.6
119.08574	3.4
121.06506	0.7
121.10149	1.3
123.08064	0.6
125.09629	0.6
129.07018	1.3
131.08551	2.4
133.10133	1.8
135.08072	0.6
135.11691	0.8
141.06955	0.5
143.08604	1.1
145.10091	1.8
147.08032	0.6
147.11688	0.9
149.09613	0.9
151.11098	0.4
155.08519	0.6
159.11659	0.9
161.09645	0.6
163.11211	0.7
169.10106	0.5
171.11664	0.5
175.11157	0.4
179.14392	0.4
181.10045	0.7
185.13260	0.5
197.10928	0.5
197.13295	0.5
225.10336	0.4
227.12659	0.4
237.16354	0.4
253.13257	0.4
257.19049	0.8
273.18491	2.2
275.20099	2.4
289.17969	0.6
291.19492	2.6
314.12878	0.5
347.22122	0.7
365.23520	0.6
389.17767	0.5
393.16818	1.1
393.21188	0.5
405.17307	1.3
406.18008	0.7
407.18814	1.4
410.35962	0.4
419.14340	0.8
419.18991	0.7
420.15167	0.9
421.20398	4.8
422.20819	1.1
423.21725	0.5
431.14685	0.6
432.19482	0.9
433.15765	0.8
433.20355	1.5
434.17059	0.7
435.17322	2.6
436.22797	2.1
445.16513	0.5
447.17215	0.7
447.22165	1.4
448.18661	2.6
449.19574	9.7
450.20233	3.2
459.17981	0.6
461.19794	1.5
463.11099	0.4
463.21503	5.2
464.22144	4.4
465.22733	1.4
473.19925	0.5
474.20023	0.8
475.21472	1.9
477.18692	5.3
478.19763	2.1
479.20828	0.7
481.22733	0.5
491.21161	1.5
492.21323	0.6
493.22504	0.7
505.22586	0.6
507.24091	0.8
509.25327	0.6
519.22314	0.4
521.22101	0.6
523.23041	2.3
527.18524	0.4
533.21570	1.0
535.23645	3.3
536.24219	1.6
537.22516	0.6
547.22919	0.4
550.25781	0.8
551.26672	2.8
561.24976	3.4
563.23425	0.8
564.23694	3.8
565.23975	2.0
579.25928	7.8
581.24792	0.7
589.25024	0.5
595.25513	2.7
596.26196	1.0
607.25616	0.7
610.27319	1.2
611.28101	0.4
621.26831	3.0
621.41852	0.9
624.25726	4.9
625.27600	0.5
639.28027	100.0
639.42853	3.7
640.28290	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	639.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05511	11.9
57.03423	3.8
65.03936	2.3
65.46680	1.3
67.05496	21.1
69.03419	2.1
69.07060	9.8
71.04993	4.8
71.41712	1.6
79.05488	16.6
81.03415	3.4
81.07050	22.5
83.04980	3.7
83.08617	4.4
85.02902	1.5
91.05464	20.1
93.07045	14.9
93.67245	1.2
94.06575	1.7
95.04954	6.3
95.08600	13.1
96.34450	1.1
97.06528	3.6
97.10173	4.1
103.05482	2.5
105.07023	18.6
107.04957	3.1
107.08568	10.2
108.08124	2.4
109.06509	3.1
109.10165	6.0
111.08074	2.2
113.00021	2.0
115.05412	1.6
116.33441	1.3
117.06991	8.9
118.78590	1.3
119.08573	10.9
120.08107	12.1
121.10149	5.2
122.09644	3.6
123.08045	1.6
123.11736	1.8
125.09640	3.7
128.06219	1.8
129.06999	6.7
131.08562	11.4
133.06502	2.2
133.10117	8.5
135.08076	2.1
135.11731	3.0
141.07002	2.2
142.07797	1.9
143.08580	5.5
144.04485	2.1
145.06474	1.5
145.10085	8.0
146.05992	1.7
147.08055	2.5
147.11731	4.1
148.07562	2.3
149.09604	1.8
149.13251	1.9
155.08565	4.1
157.10144	5.0
158.09644	1.8
159.08051	1.6
159.11745	5.4
161.09630	2.1
161.13223	3.0
163.11232	1.5
165.12764	1.8
167.08618	1.5
169.10135	4.1
171.11728	4.3
172.03955	6.9
173.13297	3.3
179.08664	1.6
181.10109	2.9
183.11703	3.9
185.13260	2.5
187.14876	1.8
195.11707	2.4
197.13135	1.6
201.12735	1.8
204.06575	9.3
209.10806	1.9
209.13304	1.6
211.08650	2.9
211.14917	1.6
218.36745	1.5
225.10260	4.0
227.11934	6.1
233.10973	1.5
235.08679	2.2
236.09431	3.1
237.10239	2.5
239.17818	1.5
249.10309	4.5
250.10907	2.2
251.11900	3.9
253.09770	1.8
253.13426	3.1
257.18979	3.3
261.10446	1.5
263.11890	2.1
265.09680	2.5
273.18549	5.1
275.17355	1.3
275.19965	8.2
277.09857	2.4
279.11349	4.4
281.09454	1.7
285.12521	3.3
291.19595	5.1
300.14810	2.1
301.15494	2.2
307.10812	3.1
309.12222	2.6
311.13803	2.6
313.12540	1.3
314.13016	3.6
320.27673	1.6
325.12100	2.8
326.12988	2.8
328.14572	4.6
338.13065	1.9
339.13687	3.3
340.10898	1.8
340.14587	4.3
341.15305	1.8
342.12463	7.0
342.16144	2.5
349.23688	1.7
350.12704	1.4
354.12387	3.5
354.16235	2.2
355.13278	3.4
356.13882	4.5
356.17773	2.3
357.14624	2.4
358.15540	2.5
368.14020	4.9
369.15012	2.7
370.15472	6.8
371.16113	1.6
382.15768	1.8
383.16223	3.6
384.17114	4.2
385.17755	2.7
400.16769	1.9
410.15155	2.5
412.16599	2.7
419.14969	2.2
426.18118	2.7
430.17484	2.4
434.17703	1.7
435.18109	2.0
442.17963	1.6
444.19141	12.0
447.18118	1.6
449.19464	6.9
452.16232	2.5
463.21960	2.3
470.17108	5.1
471.34674	2.3
475.64246	1.5
477.23523	2.4
527.37378	18.5
551.26605	13.8
575.53363	1.6
579.26031	14.0
589.24811	3.3
607.25629	10.9
607.43439	6.1
611.28601	71.3
612.28705	5.7
621.41559	3.7
639.28082	100.0
639.44879	11.8
640.28711	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	639.2808
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
52.73228	2.5
70.06599	2.6
79.05472	2.8
81.03702	2.5
98.23337	2.3
106.55676	2.9
120.04405	2.5
120.08085	9.5
122.09650	4.2
146.05986	2.5
148.07521	3.5
150.09148	5.4
159.09253	2.6
163.90044	2.5
172.03955	7.3
190.04794	3.1
204.06461	12.1
225.10191	3.3
227.11926	5.2
249.10231	6.1
250.10931	2.6
251.11748	5.3
253.09801	3.6
256.26324	2.9
277.09698	4.6
279.11264	4.0
285.12228	3.8
311.14191	4.4
319.14212	3.4
326.13531	3.5
328.14346	6.1
339.13437	5.6
340.14468	3.7
342.12280	5.4
342.15952	4.6
352.14502	3.8
352.20706	3.4
354.12360	4.4
356.13968	7.0
357.14444	6.0
358.15402	4.3
368.14249	4.2
370.15570	6.9
384.17014	4.5
412.16602	4.8
444.19250	11.7
449.19733	4.1
465.23151	3.3
470.16736	5.3
477.23050	3.0
551.26355	20.3
579.25940	19.2
589.24469	3.8
607.25543	10.9
611.28534	79.9
612.28656	8.5
639.27979	100.0
640.28424	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	639.281
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
66.71338	1.2
67.25256	1.5
69.60819	4.4
97.68016	1.3
98.23070	4.3
106.71024	1.2
391.19000	1.6
407.22867	2.6
419.18637	3.2
420.19479	1.7
421.20529	3.3
433.20200	10.4
434.21201	4.2
435.21970	6.4
436.22372	1.8
449.19897	4.4
463.21317	2.3
464.22546	1.6
479.20798	2.4
492.21481	2.6
493.22366	3.3
505.22519	2.5
507.23923	2.2
520.24860	1.9
521.25464	6.7
579.25830	17.0
580.26074	2.0
581.27948	2.4
597.27521	1.9
639.28192	100.0
639.40247	15.0
640.27991	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	639.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01852	0.6
55.05502	2.4
55.79309	0.4
57.03429	3.0
59.04991	0.6
61.02918	5.6
63.73325	0.4
67.05493	9.0
69.03423	4.0
69.07054	1.5
69.17332	1.6
71.05002	1.0
73.02897	3.7
79.05480	4.0
81.00286	0.4
81.03411	8.2
81.07050	4.5
83.04976	2.5
83.08609	2.1
85.02888	5.7
91.03914	2.3
91.05467	5.0
93.07024	4.1
95.04951	2.8
95.08606	1.3
97.02882	5.7
97.06511	0.6
97.10151	0.5
99.04442	1.1
101.02387	2.0
103.03938	0.6
105.07024	2.6
107.04957	1.5
107.08576	1.5
108.90616	0.4
109.02877	0.9
109.06527	0.9
109.10133	7.2
111.04431	0.6
111.08102	0.8
113.57404	0.4
115.03933	0.5
117.07024	1.1
119.08569	2.6
121.06553	0.5
121.10160	1.5
123.04386	0.4
123.08033	0.8
123.11678	0.4
124.06234	0.3
127.03911	2.3
129.07011	1.4
131.08577	1.7
133.06544	0.6
133.10141	1.7
135.11693	1.3
137.09644	0.5
145.06523	0.5
145.10133	1.5
147.11710	1.5
149.09584	0.6
157.10115	1.2
159.11693	0.4
163.11172	1.5
173.11742	2.1
173.13184	0.6
175.11211	1.6
181.12144	0.4
185.04182	0.6
191.10712	0.4
192.26299	0.4
193.12199	2.3
195.09926	0.9
211.13379	1.6
227.12686	0.7
229.14417	1.2
243.08440	2.2
267.15955	3.4
283.15378	0.6
285.16785	0.4
336.93951	0.5
367.22775	0.5
413.17657	7.9
459.27423	3.0
467.18896	6.1
477.29211	0.8
509.17188	0.5
621.32507	1.3
639.29761	100.0
640.30066	6.9
653.22699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.9
67.05486	5.3
69.31828	4.1
69.32235	3.6
69.88091	1.4
79.05462	1.7
81.07017	1.7
82.69686	1.3
91.05470	5.1
93.07039	6.0
94.06557	6.0
95.04947	2.2
96.04449	2.1
98.06061	2.0
98.22696	2.3
105.07022	1.3
108.08097	11.5
110.06023	2.3
118.06468	1.7
119.04923	6.0
120.04419	1.3
121.06506	3.0
122.06026	24.3
123.08059	3.6
124.03938	2.7
124.07569	5.2
129.07028	1.5
132.08034	1.6
134.06010	2.0
136.07562	30.7
137.06004	2.3
138.09109	16.4
142.08598	2.3
147.04395	4.2
148.07541	2.7
150.05472	3.7
152.07126	1.5
158.05966	1.6
160.05164	1.4
160.07553	2.9
162.05484	3.6
163.08693	1.6
164.07057	86.5
172.07552	5.1
174.09097	11.4
176.03413	4.0
176.06929	3.0
177.06570	2.5
181.09685	14.1
184.07605	1.9
186.05534	1.7
188.07001	2.0
188.10657	1.7
189.10187	5.5
191.08195	8.4
192.10197	2.3
199.08641	1.8
200.07080	4.6
200.09369	2.5
201.06564	4.0
201.10226	1.5
202.08669	16.2
203.08142	23.8
204.06548	36.0
213.10228	2.0
215.07935	1.9
215.11755	3.0
217.06285	1.6
217.09729	25.5
218.08038	2.7
218.10094	1.6
219.11307	2.7
220.09679	3.8
227.07994	1.6
229.06102	8.1
230.08183	10.4
231.07561	1.6
231.11223	1.8
237.12398	2.4
238.92221	1.6
243.07648	4.2
243.11270	8.4
243.14986	2.5
245.09193	38.7
246.07564	4.0
247.10657	3.1
248.09183	9.8
257.12811	5.4
259.10809	5.9
261.12250	3.0
263.10245	100.0
264.10638	2.1
265.11658	10.2
269.12772	3.4
271.07056	5.7
271.10791	4.0
275.13892	1.3
277.11911	6.7
279.13391	3.9
283.14352	4.1
285.12482	1.9
289.08127	4.6
289.11749	13.5
291.09995	6.8
291.13040	2.5
301.15338	1.5
307.12906	24.4
309.14517	4.9
319.16537	1.8
333.10770	1.4
335.12628	1.6
336.17020	1.6
337.98557	1.7
339.17059	3.4
356.19531	3.9
364.16486	5.9
366.18045	2.5
367.16306	2.5
378.17963	5.9
379.18875	2.3
382.17419	10.8
384.19205	8.9
396.19226	5.8
400.18286	2.5
402.20285	25.7
402.25305	0.9
404.19626	5.0
422.20679	7.8
426.16269	29.9
428.17377	3.5
428.22000	4.2
440.21680	6.0
442.26782	2.7
446.22888	13.5
452.17981	7.6
454.19907	3.3
470.19009	2.0
472.20682	25.7
483.23816	1.7
501.24432	1.8
502.23355	1.6
519.25800	3.1
545.27374	3.0
547.25446	22.6
565.26385	10.4
573.27094	13.1
577.26312	1.8
591.28058	43.3
592.27850	3.2
596.39343	1.5
603.27570	2.2
609.29205	43.0
610.29395	3.2
621.28870	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	639.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.9
62.45139	0.7
62.76346	0.7
63.57008	0.6
65.03942	0.7
67.05509	4.3
69.03413	1.3
69.07063	1.0
69.72373	0.7
71.42991	0.7
77.03913	0.9
79.05492	1.2
81.07043	1.2
85.02896	1.3
91.05483	5.5
93.05760	1.3
93.07023	6.7
94.06560	5.3
95.04948	2.4
95.08611	1.6
96.04486	2.9
97.02875	0.8
97.06509	0.9
98.06072	1.1
105.07009	2.5
106.06512	0.7
107.08547	1.6
108.08104	9.9
109.02866	0.8
109.10117	1.2
110.06030	2.1
111.08072	0.8
114.05531	1.2
116.07057	1.9
117.07082	0.7
118.06490	1.0
119.04937	5.0
119.08538	1.0
120.04441	0.8
120.08064	1.5
121.06487	3.1
121.10135	1.2
122.06018	21.9
123.06805	1.1
123.08020	1.6
124.03935	1.7
124.07571	3.8
129.07024	0.8
131.08577	1.0
133.10126	0.7
134.05971	1.3
136.07565	26.5
137.05991	1.4
138.09122	15.1
139.05045	0.7
139.44377	0.8
142.08655	1.1
145.08963	0.8
146.06003	0.8
146.09625	1.0
147.04382	2.7
148.07515	3.0
150.05518	3.9
153.01791	1.2
156.08139	0.7
158.05998	2.0
160.07558	2.1
161.05933	1.1
162.05487	2.7
164.07048	77.2
164.10713	2.0
165.07410	1.4
167.07013	1.1
172.07602	3.9
174.05467	0.7
174.09097	9.8
175.08661	2.0
176.03433	2.6
176.07076	2.7
177.06537	1.7
177.09067	1.8
178.08632	1.7
181.09694	9.0
184.07544	0.9
186.05424	1.7
187.08745	1.3
188.07082	2.4
188.10759	1.6
189.10214	4.0
190.08621	0.9
191.08148	5.4
192.06522	0.9
192.10081	1.9
193.08545	1.2
199.08685	1.8
200.07072	4.5
200.09171	0.8
201.06595	2.0
201.10170	2.5
202.08673	15.4
203.08134	22.4
204.06541	32.9
204.08316	1.4
205.09761	1.5
213.10233	0.8
215.08112	1.6
215.11783	2.7
217.09709	26.1
218.08112	2.1
219.11259	3.6
220.09686	2.2
227.08163	1.9
228.06720	0.9
229.06093	9.7
229.09724	2.7
229.13306	1.3
230.08127	8.0
231.11224	1.4
234.11310	0.9
237.12376	1.7
241.09627	1.0
241.13306	1.2
243.07596	3.0
243.11267	6.3
243.14896	2.6
244.13412	1.0
245.09189	35.9
246.07536	4.8
247.10754	3.1
248.09126	6.4
251.13808	0.8
255.14983	0.8
257.09329	0.7
257.12814	5.4
259.10837	5.7
261.08542	0.9
261.12213	1.3
263.10236	100.0
264.10638	2.4
265.11801	10.1
267.11298	1.3
269.12796	0.9
271.07104	5.8
271.10706	3.4
271.13971	0.8
274.10645	0.7
275.14038	1.1
277.11746	6.6
279.13431	2.7
280.93210	0.8
283.14377	2.7
285.12057	0.9
287.10342	0.9
289.08173	5.3
289.11792	10.7
290.05072	0.8
291.09726	4.7
291.13342	2.1
297.15869	0.8
301.07852	0.9
301.15414	1.2
303.19455	1.1
306.16058	1.0
307.12906	19.8
309.14462	3.6
316.14240	0.8
321.15015	1.1
322.14963	1.2
331.12708	0.9
332.17749	1.0
333.10559	1.0
335.12405	1.4
336.16971	2.7
338.14932	0.9
338.18613	1.9
339.17007	5.4
340.15216	0.9
348.43799	0.8
350.18546	0.7
354.18051	0.8
356.15881	1.3
356.19589	4.1
360.16995	0.9
362.18723	1.1
364.16516	4.3
366.18158	2.3
367.16504	1.5
376.20364	1.1
378.18076	5.1
379.18692	1.7
382.17554	12.4
384.19153	8.6
396.19324	4.8
400.18405	1.8
402.15308	1.4
402.20184	19.4
404.19641	3.9
405.20282	1.6
408.19669	1.3
410.16833	1.9
422.20926	6.1
423.21753	0.9
426.16290	27.0
427.16721	1.1
428.17618	3.0
428.21790	4.6
429.19785	0.8
440.21664	2.8
446.22827	14.7
452.18015	6.7
454.19684	3.8
470.18979	2.0
472.20749	17.2
473.20953	1.1
483.23547	1.0
501.25092	1.2
509.25491	0.9
509.32172	0.8
513.25464	0.9
519.25775	3.4
527.26440	1.6
545.27264	2.7
547.25433	16.9
548.25305	1.2
555.25604	1.2
563.28107	0.9
565.26349	8.6
573.26953	9.5
575.28461	1.6
577.26343	0.9
591.28058	35.5
592.28198	2.8
603.28076	1.1
609.29083	37.9
610.29181	3.0
621.29028	4.7
639.30414	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01868	6.1
55.05258	1.1
55.05508	19.6
57.03438	8.9
65.03943	1.9
67.05496	26.8
69.03426	13.9
69.07066	7.4
70.69762	1.3
71.04983	6.0
73.02898	0.8
77.03918	1.1
78.60168	0.6
79.05486	29.3
81.03412	100.0
81.07050	29.7
82.03735	1.2
83.04976	19.9
83.08614	20.2
85.02898	19.8
85.06542	2.5
86.03276	0.7
91.05473	32.4
92.05779	0.8
93.07041	19.8
95.04960	29.8
95.08601	9.0
96.05293	0.9
97.02888	14.0
97.06511	5.2
97.10164	6.1
99.04444	3.6
99.08102	1.4
103.03917	0.8
103.05476	1.2
105.04494	1.8
105.07024	22.1
107.04948	7.5
107.08575	8.5
109.02870	14.4
109.06496	4.1
109.10148	4.4
111.04430	12.7
111.08064	10.2
113.06008	1.0
115.05411	1.9
117.07022	2.9
119.04955	1.0
119.08575	18.4
121.06501	3.6
121.10136	9.7
123.04436	1.4
123.08087	2.9
123.11710	1.8
125.09631	3.0
127.03921	7.0
128.06201	1.2
129.05475	1.9
129.06989	10.9
131.04958	1.2
131.08569	10.1
133.06479	4.7
133.10115	8.1
135.04411	1.1
135.08044	1.3
135.11716	2.0
137.05933	1.1
137.09641	2.0
139.61003	0.7
142.07788	2.2
143.08559	1.1
145.06467	1.7
145.10114	4.2
146.67474	0.7
147.04381	0.9
147.08026	4.1
147.11674	15.6
149.06052	1.8
149.09596	5.7
153.12759	2.0
155.08437	1.1
157.10127	12.3
161.05963	1.3
163.11166	6.5
165.09108	0.9
165.12738	5.2
167.08591	0.8
171.08118	1.2
173.04442	1.3
173.09650	1.6
175.11159	12.2
181.12283	3.0
187.11209	0.8
189.11180	1.7
189.12737	1.2
191.10686	3.0
193.12224	42.8
194.12532	1.6
209.11798	0.9
211.13268	65.3
212.13640	1.5
227.12827	5.2
229.14287	1.9
235.13258	1.5
235.58582	0.8
249.14825	1.3
259.13419	1.1
261.51849	0.8
265.14240	0.8
267.15881	20.8
273.14886	2.5
277.14349	0.9
283.12927	0.9
283.15677	1.8
285.16971	12.6
291.16058	0.8
301.14249	4.3
309.16818	0.9
309.45956	0.7
313.16592	1.0
319.15338	2.2
337.16553	2.6
355.17496	5.3
367.22794	1.1
375.18011	1.0
385.23752	3.4
393.19196	1.6
403.24628	1.3
411.20053	6.2
429.21225	2.2
459.27295	8.6
460.27884	0.8
477.28372	12.1
477.34647	0.8
495.29498	10.7
496.29660	1.1
519.29755	1.0
543.29327	0.9
585.30389	2.0
603.31543	2.3
621.32605	7.7
639.33752	45.1
640.33856	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	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01863	4.8
55.05505	18.4
57.03432	11.7
57.07065	0.6
59.05010	0.7
65.03922	2.2
67.05498	26.7
69.03060	1.0
69.03422	15.1
69.07059	7.5
70.56474	0.9
71.01351	0.6
71.04991	6.2
73.02903	0.7
73.06558	0.7
77.03919	1.5
78.58711	0.5
79.05485	29.5
81.03408	100.0
81.07047	33.6
82.03738	1.1
83.04971	20.4
83.08610	19.3
85.02492	0.3
85.02894	20.7
85.06541	2.5
91.05470	35.5
92.05791	0.7
93.03432	0.7
93.07037	21.8
94.07356	0.6
95.04958	29.9
95.08597	10.7
96.05282	0.6
97.02254	0.8
97.02883	16.5
97.06516	6.2
97.10161	7.9
99.04443	4.6
99.08070	1.3
103.05457	0.9
105.04516	1.4
105.07016	24.2
107.04947	9.9
107.08584	9.0
109.02866	12.9
109.06510	5.6
109.10146	5.5
111.04421	12.1
111.05167	0.9
111.08072	10.1
113.05995	2.2
115.05475	1.9
117.07004	4.2
119.04935	1.3
119.08564	19.8
121.06516	5.6
121.10132	10.5
123.04438	2.5
123.08004	3.1
123.11720	2.7
125.05988	0.7
125.09612	3.8
127.03893	8.4
127.07510	1.0
128.06180	1.1
129.05479	1.5
129.06989	11.0
131.04945	1.6
131.08560	12.7
133.06471	4.0
133.10120	9.6
135.08069	2.2
135.11685	3.5
137.05960	1.4
137.09634	2.3
141.07014	1.1
142.07758	2.9
143.08563	1.8
145.06490	2.2
145.10117	4.7
147.04358	1.0
147.08069	3.6
147.11665	19.6
149.05960	1.2
149.09613	7.9
151.11174	0.8
153.01804	1.0
153.12750	2.2
155.08585	1.9
157.06480	1.2
157.10112	14.2
159.04356	0.6
159.07990	0.9
159.11650	1.4
160.05153	0.6
161.06004	0.6
161.09642	1.2
163.11157	5.4
165.12740	6.2
167.08609	1.2
169.06598	0.7
169.10136	0.8
171.08101	1.1
171.11690	1.4
173.04488	1.9
173.05952	1.2
173.09656	1.9
175.07664	0.8
175.11166	13.8
175.12614	1.0
177.12723	0.7
181.10031	0.7
181.12250	3.2
183.11687	0.6
185.09671	0.8
185.13268	0.9
189.05469	1.3
189.09093	0.8
189.11203	1.5
189.12711	0.9
191.10654	3.5
193.12219	42.0
194.12656	1.7
197.13269	0.7
199.11090	0.6
201.12643	0.8
209.11749	1.0
211.13264	59.9
212.13628	1.9
217.12241	0.8
227.12666	5.2
229.14391	1.9
231.13835	0.9
233.15472	0.9
235.13307	1.9
237.12793	0.9
241.12233	0.7
245.15607	0.8
249.14900	2.4
255.13814	1.2
259.13321	1.4
265.14352	0.9
267.15891	21.9
268.16251	1.1
271.13251	0.6
271.16907	0.7
273.14859	4.1
277.14365	1.1
283.12793	0.7
283.15515	1.7
285.16934	14.8
289.14413	0.7
301.14194	3.7
309.17010	0.9
310.18259	0.7
313.16406	1.3
319.15497	2.7
337.16571	4.7
349.21692	1.3
350.95087	0.7
351.18228	0.9
355.17453	5.7
363.18332	0.8
367.22757	1.9
375.18057	1.6
385.23557	3.9
393.19153	1.9
403.24899	1.4
411.20160	6.7
429.21109	2.6
441.26334	0.7
459.27393	9.9
470.19757	0.8
477.28433	11.6
478.28461	1.2
495.29474	9.5
496.29980	0.7
501.28476	0.8
511.28897	1.0
519.29376	1.2
567.28650	0.7
573.30005	0.9
585.30432	1.8
603.31732	2.7
621.32611	10.5
622.32758	0.8
639.24945	1.5
639.33636	39.1
640.33698	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91955	0.3
53.03942	4.4
55.01870	5.2
55.05507	17.1
55.05778	0.8
56.89040	0.4
57.03433	11.2
57.07069	0.4
59.04996	1.3
65.03934	2.6
67.05498	25.4
69.03422	13.6
69.07057	6.3
70.18240	0.4
70.56237	0.8
71.01338	1.0
71.04990	7.4
73.02914	1.2
77.03929	0.6
78.16006	0.4
79.05486	27.6
81.03410	100.0
81.07049	28.6
82.03751	1.8
82.07391	0.5
83.01333	0.4
83.04462	0.8
83.04972	19.0
83.08612	22.2
85.02897	22.6
85.06530	2.0
87.04458	0.7
91.05471	33.2
93.07038	18.1
95.01295	0.7
95.04961	29.6
95.08594	10.6
97.02883	13.0
97.06519	6.1
97.10157	7.4
98.23424	0.4
99.04448	3.6
99.08076	1.3
101.00790	0.4
101.02357	0.8
101.06013	0.4
103.03933	0.6
103.05476	1.4
104.06168	0.4
105.04513	1.3
105.07018	23.7
106.07353	0.6
107.04943	8.4
107.08579	9.6
109.02870	14.0
109.06512	5.1
109.10146	4.1
111.04432	11.1
111.08064	11.1
113.06011	1.7
114.06590	0.4
115.05429	2.3
117.07005	4.3
119.04933	1.3
119.08569	20.4
120.08932	0.5
121.06493	3.6
121.10144	9.5
122.09645	0.8
123.04403	2.0
123.08047	3.5
123.11675	3.1
125.05985	1.1
125.09615	3.6
127.03906	7.3
127.07609	0.5
128.06212	1.3
129.05479	1.5
129.06990	12.3
131.04921	1.5
131.08554	12.4
132.08904	0.5
133.06491	4.4
133.10114	9.5
135.04405	0.9
135.08066	1.3
135.11710	3.0
137.05968	1.0
137.09644	1.8
139.03886	0.5
141.06989	1.3
142.07747	3.0
143.08507	1.9
145.06474	2.7
145.10132	3.9
147.04405	1.4
147.08047	3.7
147.11668	17.2
149.05991	1.2
149.09607	6.6
151.11166	0.7
153.09129	0.8
153.12762	1.7
155.08525	1.1
157.06453	1.2
157.10114	14.7
159.08049	1.2
159.11668	1.1
161.05995	1.2
161.09521	0.6
163.03947	0.4
163.11159	4.5
165.05499	0.5
165.12743	5.0
167.07164	0.5
167.08513	0.4
169.10147	1.0
171.08067	0.7
171.11650	1.0
173.04440	1.5
173.05853	0.7
173.09615	1.4
175.11168	13.3
175.12614	0.9
177.12753	0.5
181.10117	0.6
181.12251	3.0
183.11697	0.7
183.13766	0.6
185.13373	0.7
187.11308	0.5
189.05438	0.9
189.11212	1.6
189.12686	0.8
191.10677	2.6
193.12221	40.3
194.10922	0.5
194.12614	1.2
197.13261	0.5
199.11195	0.9
203.14412	0.5
205.12207	0.7
207.13806	0.7
209.11644	0.7
211.13268	53.1
212.13618	1.1
217.12225	0.5
223.13210	0.5
225.12721	0.5
227.12646	3.7
229.14369	1.3
231.13797	0.6
233.15359	0.7
234.44536	0.4
235.13272	1.1
247.13371	0.7
249.14952	1.4
255.13756	1.2
259.13412	0.7
265.14285	0.5
267.15881	18.9
268.16159	0.7
273.14828	3.1
277.14310	1.2
283.12848	0.5
283.15475	1.5
285.16953	12.2
285.19949	0.8
289.14334	0.8
291.07217	0.4
291.15900	0.7
301.14240	4.8
309.16916	1.4
313.16492	0.9
319.15317	2.0
337.16251	2.3
349.21448	0.6
351.17993	1.2
355.17511	5.5
357.17200	0.4
367.18121	0.6
367.22482	2.4
375.18057	1.0
385.23505	3.8
393.18735	2.1
403.24655	0.9
411.20020	4.5
429.21198	2.8
433.26208	0.5
441.26367	0.5
459.27386	8.4
477.28491	10.2
478.28784	1.1
490.66678	0.4
495.29440	10.3
495.36627	0.5
496.30026	0.7
501.28690	0.8
511.27954	0.7
519.29633	0.6
520.15997	0.5
531.28467	0.4
543.28906	0.6
561.30353	0.7
567.29266	0.6
573.30280	1.2
585.30603	2.0
591.31812	0.5
603.31659	2.6
621.23065	0.8
621.32654	8.9
622.32587	0.7
639.33679	32.0
640.33893	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	641.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13839	1.1
57.03708	1.2
58.92747	1.1
65.03917	4.8
67.05490	2.7
69.03421	2.2
75.61871	1.0
78.04701	1.7
79.05488	2.6
81.07024	1.8
82.04172	1.8
85.02868	4.2
85.96234	1.0
91.05484	8.4
93.03367	1.5
95.04937	4.6
97.06487	2.8
103.05441	1.6
105.03342	1.7
105.07012	1.7
106.04157	1.8
107.04923	5.7
108.02027	1.4
109.06465	1.9
109.10081	2.1
110.03652	2.2
111.04409	1.8
112.70190	1.3
115.05438	8.3
117.07007	8.9
119.04884	1.8
119.08513	1.3
120.05679	3.8
121.06506	1.9
123.04439	6.2
124.05203	1.7
125.05927	1.6
131.04901	2.3
135.04373	2.1
135.08028	1.3
137.05969	7.4
138.03044	1.7
143.04912	1.6
145.06487	15.5
147.04338	1.4
148.05132	3.1
151.03891	1.7
153.05371	3.5
155.06009	8.7
159.04385	1.9
161.05893	2.5
165.05461	8.3
167.07028	66.4
171.06522	7.1
173.05975	21.1
175.07602	2.9
177.05389	1.7
181.04947	100.0
186.05255	6.3
190.06075	1.8
191.07019	2.5
195.06445	1.5
201.05386	1.6
203.06978	3.6
205.05035	1.6
205.08594	5.7
205.36414	1.1
207.06496	1.5
217.08493	1.5
219.06465	4.5
220.07240	4.4
225.07495	4.2
227.17845	1.9
231.06378	1.6
233.08081	11.1
234.08716	3.3
235.09535	5.2
279.10269	1.4
283.09836	1.2
285.08109	2.1
307.09689	1.4
325.10492	1.7
355.11636	1.6
357.13000	5.4
385.08160	2.1
385.12769	31.1
386.13309	4.7
387.14050	3.8
398.13351	2.4
415.13904	1.7
416.14676	13.8
417.15335	14.4
418.14639	1.5
448.14792	25.1
491.16669	9.6
492.17157	2.1
611.20410	4.7
623.24628	3.0
640.42804	1.4
641.22449	56.1
642.22717	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	641.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60809	0.4
69.48593	0.6
69.49001	1.3
98.60566	0.4
137.05956	0.9
153.01819	0.5
175.03735	0.5
176.04459	0.4
181.76595	0.4
186.05234	3.3
189.05188	11.2
189.06876	0.6
201.05270	0.5
202.06024	2.7
203.06801	0.5
216.07567	5.1
217.08212	0.7
219.06252	0.9
232.07091	0.9
233.07820	12.0
234.08577	6.2
243.94701	0.4
247.09396	8.5
247.11903	0.6
285.08472	1.3
354.38272	0.5
399.14154	3.6
413.10220	0.8
413.15625	9.9
413.20972	0.7
414.16367	0.6
418.13596	0.6
429.15097	1.9
443.16733	0.6
444.17453	4.1
445.18399	0.9
448.14700	18.8
449.15259	0.9
477.91385	0.4
490.15585	0.5
491.16684	3.7
492.17072	0.5
504.17075	0.7
517.05560	0.5
611.24072	0.7
623.24506	0.5
641.25549	100.0
642.25836	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	641.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32491	1.2
69.69991	0.3
82.86522	0.2
93.07010	0.3
98.22766	0.4
109.10155	0.2
109.31339	0.2
137.05981	0.3
147.45631	0.2
167.07076	0.5
168.42944	0.2
168.57629	0.2
175.03700	0.3
176.04448	0.2
184.87149	0.3
189.05199	11.9
201.05209	0.7
202.05998	3.2
203.06827	0.6
215.06871	0.3
216.07550	5.7
216.09502	0.4
217.08330	1.1
219.06209	2.0
232.07124	1.2
233.07811	12.8
234.08571	7.4
235.09396	0.4
247.09386	9.7
248.09865	0.3
249.11021	0.3
365.13480	0.4
399.14102	5.2
399.19138	0.4
400.14694	0.3
413.15637	14.7
414.16129	0.7
415.17392	0.4
427.16400	0.3
429.15213	2.1
443.16861	0.4
444.17477	3.7
445.18146	0.8
611.24292	0.8
641.25549	100.0
642.25793	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	641.2962
Annotation	Crooksiine
Peak:m/z	Relative Intensity
59.64877	0.3
67.05510	0.3
68.98320	0.2
71.19379	0.3
79.05496	0.3
98.22813	0.3
100.95116	0.3
149.02338	0.6
159.39270	0.3
193.04950	0.7
224.19199	0.3
284.29337	0.3
306.80872	0.3
329.15897	0.3
372.42517	0.3
376.16632	0.4
377.17496	0.6
378.18521	0.3
379.19443	0.8
390.18582	0.4
391.19553	1.3
392.19818	0.9
393.16602	0.3
393.20978	2.1
394.21469	0.6
395.22308	0.3
405.16455	2.3
405.21396	0.8
406.17929	1.1
407.18320	0.9
407.22672	4.1
407.55893	0.3
408.23206	0.8
418.17471	0.4
419.18408	3.3
419.23462	0.5
420.19290	1.9
421.20175	5.7
421.24902	0.4
422.20920	0.9
423.21976	1.3
433.20163	4.8
434.21155	4.6
435.21951	7.9
436.22632	1.3
447.22394	1.5
448.18222	0.5
448.23410	0.5
449.19580	8.3
450.20142	0.5
451.22061	0.3
461.24164	0.5
462.20511	1.0
463.21088	3.6
464.21780	2.3
465.23666	0.5
467.24539	0.9
476.22171	0.7
477.22922	1.1
479.20926	1.1
480.21811	0.9
481.21680	1.7
493.21371	2.1
494.22739	3.2
495.23737	3.4
496.24588	0.4
505.21857	0.4
506.22244	0.4
507.23929	2.1
521.25623	10.0
522.25720	1.1
523.26642	0.5
535.23822	0.5
539.23602	1.0
549.24780	0.9
550.26385	0.5
551.25476	0.4
553.25537	0.9
563.26538	1.1
567.26013	0.7
580.27570	0.3
581.27618	18.5
582.28101	1.8
609.27161	0.4
641.29608	100.0
642.29559	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	641.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.3
70.17354	1.3
70.17677	1.6
82.83460	0.8
96.44219	0.7
106.21280	1.0
226.11003	0.9
319.11227	1.2
391.19296	1.2
406.22156	0.9
418.17914	1.3
419.18384	2.2
433.20245	2.5
434.20911	1.7
447.17456	1.2
447.22147	1.4
448.22656	1.4
461.19394	9.9
462.20340	3.1
463.21674	1.2
465.18845	1.9
467.24661	2.0
475.21457	1.2
476.21997	4.3
477.22833	3.8
479.20770	1.1
480.21207	1.5
493.22318	2.0
494.22815	5.8
495.23752	1.9
506.24030	0.9
507.22617	1.0
543.36804	1.0
548.23651	1.9
549.25037	2.0
550.54956	0.9
554.25305	0.8
563.26581	6.6
564.26813	1.8
581.27441	8.8
582.28186	1.0
608.25909	1.1
623.28333	3.7
641.29535	100.0
642.29730	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	641.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01863	1.3
55.05504	5.3
56.91629	0.5
57.03428	1.7
65.03938	0.6
67.05500	9.5
69.03414	1.0
69.07072	3.9
71.04974	0.7
71.08622	1.5
79.05484	9.7
81.03409	3.2
81.07055	9.8
83.04978	2.0
83.08615	3.0
85.06529	1.4
91.05474	9.4
91.05998	1.0
93.07037	8.3
95.04965	3.3
95.08605	6.9
97.06535	2.8
97.10157	1.2
99.08096	1.3
105.07025	7.6
107.04967	2.1
107.08574	5.0
109.06522	2.2
109.10129	2.8
111.08071	0.8
115.05454	0.9
117.07000	3.3
119.08575	5.6
121.06535	1.3
121.10137	3.2
123.08081	1.1
123.11629	0.6
125.09628	1.4
128.06230	0.7
129.07022	1.9
131.08560	4.8
133.06461	1.0
133.10100	5.1
135.08116	0.7
135.11699	2.3
137.40590	0.5
140.31322	0.6
143.08539	2.3
144.72252	0.6
145.06544	0.7
145.10114	4.6
147.11729	1.9
149.09613	1.4
149.13324	1.1
155.08559	1.2
157.10097	1.5
159.11694	1.4
159.99788	0.6
161.13222	1.4
163.11177	1.6
169.10173	2.2
171.11690	1.3
173.11835	0.6
173.13213	1.0
175.11137	1.2
179.14337	1.8
181.10199	0.8
183.11754	1.5
185.13251	1.2
188.78809	0.6
195.11684	1.2
197.13177	1.0
203.14336	0.6
207.11670	0.6
209.13219	0.7
227.12410	0.7
235.15036	0.6
247.20711	0.6
257.19022	1.1
259.20645	0.9
273.35092	0.6
275.20044	4.6
277.21768	1.6
291.19556	1.1
293.21008	0.9
327.99023	0.6
333.24365	0.7
349.23883	1.8
377.17429	1.1
379.19208	1.2
390.18314	0.7
391.19427	1.2
392.20468	0.8
393.20697	2.4
405.17111	2.0
406.17648	1.4
406.22327	0.9
407.17859	0.6
407.22522	4.8
408.22797	1.3
419.18686	3.6
420.19559	2.3
421.20245	5.5
423.21597	0.7
433.20242	5.0
434.21228	3.9
435.21890	8.6
436.22504	1.4
447.22308	1.2
449.19547	10.2
450.20154	0.7
461.19611	0.6
462.20584	1.7
463.20764	4.3
464.22232	2.7
465.18439	0.8
467.24521	1.0
477.23151	1.1
480.21500	1.0
481.22156	1.1
493.22531	1.9
494.22958	3.6
495.23834	3.5
507.23810	3.8
521.25677	8.6
531.37952	0.7
535.23218	3.2
539.23035	0.9
543.36786	7.1
549.25018	0.8
553.26617	0.7
563.26483	1.8
567.26123	0.8
581.27570	35.3
582.28094	2.3
595.25787	1.4
605.42322	0.9
609.27588	1.0
613.30121	1.2
623.27600	0.7
623.43433	3.1
641.29639	100.0
641.43060	3.5
642.29901	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	641.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.7
72.90659	0.9
79.05518	1.2
80.82484	1.1
87.20167	1.1
91.05482	1.0
93.07021	1.2
93.73793	0.9
98.22728	3.2
98.23453	3.6
107.08570	1.2
258.53397	1.1
296.21640	1.1
366.27863	1.0
389.17667	1.4
401.17734	1.8
402.18124	2.2
403.19171	2.6
404.19891	1.8
405.20993	1.6
407.22214	1.5
415.19131	4.2
416.19937	2.3
417.20627	4.9
418.21542	3.7
421.23856	1.9
429.20816	3.1
430.21503	3.5
431.22321	4.3
433.24121	7.3
435.21701	1.5
444.23148	2.7
445.19223	1.9
445.24374	2.9
446.24417	1.1
447.18134	1.1
447.25317	2.7
459.20831	2.4
460.22275	1.8
461.19205	2.1
462.20404	5.5
463.21204	3.8
472.22620	1.7
473.23828	4.7
474.23895	2.1
475.21072	5.3
476.21622	2.7
477.22775	15.1
485.23340	1.3
487.24796	4.4
489.22391	2.0
491.24619	5.4
505.26093	1.9
506.26691	2.2
515.24579	1.4
517.21704	1.2
519.27124	2.7
523.26794	1.5
535.23492	3.4
543.37201	1.6
545.25348	7.8
547.19385	1.7
547.26971	16.2
549.24908	15.2
550.25610	18.2
559.22852	1.5
561.20697	1.2
563.26141	3.5
564.26843	2.8
577.28003	1.3
579.29816	5.8
591.25952	15.9
592.26227	1.4
605.27466	20.1
609.25604	1.4
623.28552	100.0
624.28979	7.5
641.38147	32.0
642.38647	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54358	0.3
53.03927	0.7
55.01863	0.4
55.05507	1.0
57.03434	2.0
58.19177	0.3
59.04970	0.4
61.02924	3.6
63.64946	0.3
67.05500	5.9
69.03418	2.2
69.07047	0.6
71.04990	0.7
73.02915	2.9
76.13079	0.3
76.72318	0.3
79.05496	1.2
81.03417	4.2
81.07047	2.2
83.04972	1.2
83.08629	0.9
85.02900	5.0
87.04448	0.4
88.16114	0.4
91.03949	2.2
91.05468	2.2
93.07056	1.2
95.04980	1.6
95.08608	1.3
97.02885	3.8
97.06610	0.4
98.23447	0.8
99.04467	0.8
101.02367	1.7
105.07038	1.5
107.08577	0.5
109.02853	0.6
109.06522	0.4
109.10141	6.3
111.08096	0.7
115.19513	0.3
119.08595	1.5
121.10149	0.8
127.03929	1.2
131.08551	0.8
133.10170	0.9
137.09613	0.6
147.11707	0.8
155.10707	0.4
157.10179	0.8
173.11740	1.9
175.11192	0.6
188.08284	0.3
193.12268	1.0
195.09984	0.7
211.13275	0.7
229.14409	0.7
243.08253	1.6
251.12547	1.0
279.93976	0.4
413.17752	8.3
469.20392	6.8
641.31348	100.0
642.31744	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	641.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05505	1.1
57.03426	2.0
57.03691	0.4
59.04982	0.5
60.16826	0.4
61.02922	4.9
66.44449	0.4
67.05497	7.6
69.03423	2.6
70.92368	0.8
71.04990	0.9
73.02917	2.5
75.55498	0.4
79.05500	1.4
81.03418	4.8
81.07041	3.3
83.04990	1.2
83.08613	1.7
85.02892	5.8
85.06559	0.4
87.04451	0.6
89.96661	0.4
91.03963	2.8
91.05470	2.6
93.07051	2.1
95.04986	1.5
95.08620	1.4
97.02893	4.2
97.06512	0.7
99.04484	0.8
101.02375	1.8
105.07027	1.8
107.05014	0.7
107.08598	1.0
109.02879	0.5
109.10150	6.6
111.08105	1.1
119.08611	1.9
121.10110	0.6
127.03937	1.5
129.05482	0.8
129.07037	0.5
131.08528	0.7
133.10136	1.3
137.09627	0.5
147.11656	1.0
155.10629	0.8
157.10129	1.2
173.11772	2.1
175.11174	0.8
185.04250	0.7
193.12297	1.6
195.10001	0.5
211.13315	1.2
229.14343	0.8
243.08467	1.7
244.01344	0.5
251.12605	1.2
307.15155	0.8
413.17834	8.4
469.20395	8.1
641.31378	100.0
642.31982	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01873	2.9
55.05499	2.9
57.03435	2.7
61.02928	1.2
67.05496	6.5
69.03419	5.8
69.07063	22.7
69.38294	1.5
69.38578	5.5
71.04977	2.5
79.05492	9.0
81.03418	3.1
81.07046	53.3
83.04968	3.1
85.02884	9.8
90.60105	1.1
91.04993	1.0
91.05468	5.7
93.07037	6.4
95.04962	12.5
95.08593	3.6
97.02876	3.2
97.06504	5.8
97.10184	1.4
98.23485	1.6
99.08083	25.3
103.05491	1.6
105.07043	8.2
107.04968	3.9
107.08580	8.7
109.02897	1.9
109.06521	3.8
109.10141	8.2
117.07017	1.6
119.04986	1.1
119.08562	4.0
121.06568	1.7
121.10148	2.5
123.08069	3.6
125.06005	1.1
125.09608	11.7
127.11170	8.2
128.06215	1.7
129.06985	3.5
130.07849	1.0
131.04933	4.2
131.08549	5.9
133.10123	3.9
135.04402	9.4
135.08040	1.7
135.11685	1.8
137.05956	7.3
141.06998	1.8
142.07797	1.5
143.08554	9.1
143.10677	6.6
145.06419	1.9
145.10133	8.6
147.08069	4.5
147.11676	2.1
149.09470	1.3
153.01836	2.1
153.05508	1.9
154.07698	1.5
155.08575	7.1
157.06459	2.2
157.10098	3.7
159.08025	5.4
159.11688	5.2
161.09647	3.4
163.07535	2.8
165.06953	1.7
167.08609	2.8
168.09328	1.6
169.10107	4.8
171.08009	11.6
171.11656	3.2
173.09621	5.6
175.07526	1.5
175.11179	1.7
179.08531	4.2
181.10112	4.3
183.08096	1.5
183.11684	4.8
184.08853	1.9
185.09595	3.9
185.13202	1.7
187.07504	2.5
187.11110	2.3
189.09103	8.2
193.10170	5.8
194.10884	2.2
195.07918	2.6
195.11722	6.5
197.09694	5.6
197.13210	5.1
198.10329	1.4
199.11147	37.9
199.14754	1.4
200.11694	1.6
201.12756	4.7
205.10165	2.2
206.10797	1.6
207.10130	3.1
207.11746	3.2
209.09613	2.9
209.13272	2.6
210.10277	1.5
211.11201	2.4
211.14821	2.5
213.09090	1.1
213.12756	2.7
217.10210	1.3
218.11005	2.0
219.11734	1.9
221.09613	3.2
221.13272	4.4
223.11192	9.3
223.14696	2.6
224.11880	2.0
225.12668	5.4
225.16156	1.3
227.14273	3.9
229.12080	1.4
229.15918	1.8
235.11165	3.3
235.14801	4.6
237.12741	4.5
238.13370	1.8
239.10690	2.0
239.14293	11.4
241.12311	3.4
241.16049	1.6
245.13339	2.1
248.11938	1.7
249.12697	1.6
251.14314	5.2
253.11934	1.9
253.15834	6.2
253.19714	1.2
263.14325	7.8
264.14880	1.3
265.14124	1.4
267.14325	1.1
267.17380	1.6
271.16974	6.4
275.14264	1.4
279.13907	1.7
281.15347	25.8
281.18677	2.3
283.17007	2.6
289.18033	3.0
291.17264	2.8
299.16373	11.4
301.17984	3.7
307.20480	1.4
309.18530	5.0
311.12930	1.4
311.20001	2.7
317.17444	51.4
318.17667	1.9
319.19131	4.1
325.21509	3.3
327.19547	4.8
333.05859	2.3
333.18820	1.4
343.22791	2.8
345.20532	7.0
349.21655	2.0
361.23621	1.5
369.20605	3.3
387.21872	1.6
389.24643	5.1
407.25827	10.5
425.26837	25.3
443.27872	100.0
444.28232	5.7
461.28912	44.2
462.29251	2.3
479.30023	36.4
480.30209	1.5
605.33142	1.2
641.19818	1.4
641.35455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01859	15.7
55.05506	63.6
57.03437	13.3
57.07074	3.8
59.04981	3.2
65.03937	4.9
67.05499	100.0
69.03424	12.1
69.06042	9.6
69.06462	10.2
69.06754	2.8
69.07062	49.8
71.04983	6.8
79.05485	78.8
81.03426	11.5
81.07047	96.8
83.04974	9.7
83.08612	34.2
83.54198	2.8
85.06533	6.3
91.05468	71.3
93.07035	77.2
93.07603	5.4
95.04952	23.1
95.08598	59.6
97.02877	7.4
97.06526	18.7
97.10162	34.1
99.08050	4.3
100.41628	2.7
105.04552	5.9
105.07017	84.3
107.04939	14.7
107.08581	51.4
107.09257	4.0
109.06511	11.0
109.10159	28.6
111.08070	6.7
111.50282	2.6
115.05439	5.7
117.06997	35.8
119.08567	63.7
121.06520	7.8
121.10095	26.6
123.08089	10.6
123.11711	7.4
125.09605	24.9
128.06252	5.6
129.07022	22.2
130.07802	5.2
131.08556	45.2
133.06522	6.3
133.10115	50.1
135.08058	7.5
135.11703	22.0
137.09616	6.4
139.11162	3.4
141.06937	5.5
142.07803	7.2
143.08563	24.8
145.06482	3.7
145.10092	36.1
145.70480	3.1
147.08026	5.3
147.11662	36.2
149.09602	7.5
149.13275	9.9
151.11102	3.1
153.09129	3.4
155.08583	13.8
157.10103	20.5
157.38568	2.7
159.11674	21.0
161.09650	3.4
161.13237	26.1
163.11177	10.0
165.12721	4.5
167.08583	8.0
169.10081	14.8
171.11646	20.2
173.09660	2.6
173.13237	16.9
175.11220	6.2
175.14828	12.6
177.12671	4.4
179.08478	4.0
179.14285	5.1
181.10143	10.4
183.11703	12.5
185.13306	13.0
187.11244	2.8
187.14854	7.9
189.11223	14.6
195.11736	8.4
197.13263	11.0
199.14828	9.4
201.16438	5.3
207.11588	4.0
209.13318	7.6
211.14809	5.0
213.16417	6.0
215.53590	3.1
221.13243	5.5
223.13255	13.2
223.15102	4.8
225.16357	4.2
227.12746	17.6
227.17886	3.8
231.21281	3.7
239.17982	4.3
241.19550	20.9
245.14053	3.2
257.19043	11.3
259.20547	41.7
273.18454	10.8
275.20071	33.9
276.20358	3.0
283.20621	3.5
289.18149	4.9
291.19501	84.1
291.22653	5.5
293.06467	2.9
315.23300	5.3
333.24255	32.5
349.23752	12.2
350.93207	2.8
363.26645	6.0
365.23203	26.1
374.76440	2.7
379.29956	7.2
381.27637	3.3
387.99194	3.2
477.22583	5.2
513.36414	4.3
529.35242	3.5
531.38214	6.8
543.36603	9.7
567.40247	4.3
605.41895	16.2
623.28375	12.6
623.42950	73.5
641.29022	4.0
641.43201	34.2
642.44244	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	642.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03938	4.5
55.01870	5.1
55.05508	7.7
57.03428	5.4
57.07069	5.9
61.02921	7.9
67.05498	13.3
68.99776	1.6
69.03423	34.5
69.07059	6.8
69.11413	2.1
69.11830	3.1
71.04997	3.8
71.08637	0.8
73.02905	3.3
79.05497	1.9
81.03406	19.6
81.07047	30.6
83.01342	0.9
83.08608	10.0
85.02895	100.0
86.03236	1.3
87.00819	43.6
87.04438	1.0
91.05480	1.0
93.07040	2.4
95.04967	1.2
95.08594	42.3
96.08945	0.7
97.02250	1.7
97.02882	34.1
97.10165	9.8
99.04447	11.5
99.08134	1.5
101.02373	0.9
103.03975	1.1
105.01855	86.5
105.07050	0.7
107.08575	3.2
109.02866	27.9
109.03628	1.5
109.10139	53.8
115.03896	1.6
115.11214	1.5
117.01841	1.6
119.08582	0.8
121.10133	2.5
123.02856	0.8
123.11694	56.4
126.97004	0.8
127.03900	76.0
129.01833	2.4
133.02873	0.7
133.10101	1.0
137.13234	17.4
138.05478	2.8
139.14778	0.9
145.04945	31.5
145.10112	1.0
147.02901	1.8
153.01888	1.1
159.02846	7.2
163.05997	1.3
164.07060	1.1
171.02870	0.9
174.51334	0.7
177.16347	5.6
179.17921	52.6
180.18295	1.4
189.03922	2.5
197.18987	50.4
198.19345	1.5
213.03937	6.8
215.05615	0.8
231.04971	44.7
249.06017	35.7
269.19022	1.9
283.15427	2.4
287.20068	1.9
305.21063	1.5
309.10898	0.8
319.44583	0.7
365.23178	1.9
391.21097	2.9
409.22162	3.9
427.23166	5.4
427.28171	0.9
633.09906	0.9
642.25031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.2
53.03938	5.1
55.01865	16.6
55.05507	55.8
56.02175	1.2
57.03433	25.0
57.07078	3.1
59.05008	8.2
60.68000	1.2
65.03946	4.0
65.64082	1.2
66.30995	1.5
67.05499	97.1
69.03419	5.6
69.05698	8.7
69.07058	18.6
69.13713	1.3
70.07384	1.1
70.95889	1.1
71.01344	2.9
71.04983	8.6
71.08624	3.2
73.02919	2.2
75.69955	1.1
79.05486	51.9
79.05950	2.9
80.05840	1.7
81.03413	24.2
81.07050	53.2
82.07376	2.6
83.01332	9.9
83.04478	1.7
83.04971	20.6
83.05440	1.9
83.08609	27.1
85.02898	18.9
85.06529	3.1
87.04474	7.9
91.05475	37.1
92.05795	2.7
93.07037	42.7
93.07602	2.7
94.07367	1.4
95.04971	18.0
95.08602	27.6
97.02891	5.1
97.06532	11.3
97.10154	18.5
98.23474	2.1
99.04447	4.2
99.08109	2.2
103.03922	2.8
103.05482	1.4
105.04517	2.7
105.07021	26.8
107.04941	13.8
107.08582	28.3
109.06505	14.4
109.10145	58.0
111.04442	5.0
111.08044	6.1
115.05457	3.0
117.07006	15.5
119.08562	22.1
121.06484	6.5
121.10132	15.4
123.04431	1.7
123.08054	13.5
125.06013	2.4
125.09622	20.5
129.05492	3.7
129.07014	5.0
130.07785	2.0
131.08569	11.1
133.10147	6.7
134.10599	1.4
135.08070	4.5
135.11694	14.5
137.09637	6.1
143.08551	4.0
143.10675	3.7
145.10109	25.0
147.08028	3.1
147.11700	4.4
149.02402	1.3
149.05940	2.7
149.09616	5.1
151.11208	1.9
153.12715	8.0
155.08603	3.9
155.10680	3.5
157.10120	1.4
159.11739	2.8
161.13290	2.5
163.11169	41.7
164.11589	1.8
168.86469	1.3
171.11623	1.4
173.09660	6.2
173.11734	22.2
173.13194	1.7
181.12178	8.0
191.10622	6.1
193.12277	1.8
199.13246	10.0
209.11699	19.7
227.12730	13.6
229.14340	60.4
257.18985	1.5
267.15894	2.7
275.20126	8.6
276.20355	2.6
277.21704	1.5
283.15375	100.0
284.15680	3.4
301.16425	11.8
349.23645	3.1
392.18732	1.5
399.23782	15.0
407.24210	2.5
425.25397	5.3
437.25314	27.4
438.25647	2.1
441.19196	1.5
495.16165	2.6
503.33154	1.7
509.27551	3.9
550.25305	1.5
583.21643	5.0
607.34967	7.7
624.28772	5.3
624.43121	2.1
642.22418	1.8
642.42139	4.5
643.23804	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	642.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88959	0.9
53.03954	1.5
55.01871	3.0
55.05512	12.4
57.03436	4.4
61.02917	2.7
63.93920	1.1
65.03925	1.4
65.08310	0.8
67.05501	26.9
69.03413	1.7
69.07067	8.3
71.04972	2.1
73.02919	1.2
79.05493	20.7
81.03410	2.1
81.07053	24.2
82.07381	1.1
83.01335	1.0
83.04981	2.9
83.08614	5.0
85.02898	3.0
85.06560	1.3
91.03961	1.4
91.05476	25.1
93.07040	22.0
95.04965	5.2
95.08601	14.0
97.06520	3.6
97.10151	3.0
99.08134	1.3
105.04515	1.4
105.07024	24.9
107.04951	3.3
107.08580	12.7
109.06516	4.4
109.10162	8.6
111.08022	1.2
115.05377	1.2
117.07008	10.8
119.08569	16.9
121.06477	3.0
121.10133	6.9
123.08086	2.0
123.11750	1.2
125.09638	3.0
128.06192	1.3
129.06992	7.7
130.07820	1.1
131.08546	18.1
132.08958	0.9
132.21780	1.0
133.06499	1.4
133.10130	12.9
133.85130	1.0
135.08025	2.0
135.11708	4.8
137.09645	1.7
141.07005	3.7
143.08504	7.3
145.06470	2.2
145.10123	13.1
147.08020	2.4
147.11702	6.6
149.09578	2.7
149.13277	1.9
151.11174	2.2
155.08546	4.6
157.10103	6.4
159.08011	1.6
159.11668	5.9
161.09605	1.6
161.13211	1.7
163.11130	1.6
169.10159	4.1
171.11705	4.4
173.09604	1.1
173.11841	1.0
173.13235	3.1
175.11261	1.2
175.14917	1.1
181.10182	2.2
183.11626	2.8
185.13312	1.9
187.14757	1.7
193.12265	1.0
195.11719	1.4
197.13223	2.0
199.14862	2.0
209.13269	1.2
211.14786	1.6
225.16414	1.0
227.12727	1.8
229.14304	2.7
241.15799	1.1
241.19478	1.2
247.16975	1.8
257.19077	1.3
259.16898	1.0
259.20572	2.0
273.18439	2.1
275.20068	3.1
283.15405	2.4
325.25153	1.2
333.24118	1.6
335.23883	1.0
343.26401	1.2
353.24683	5.2
371.25723	7.3
389.26837	6.4
427.28049	2.0
437.25253	2.1
445.29449	100.0
446.29846	6.6
449.76657	1.1
463.30496	32.0
464.30838	1.5
557.34930	1.8
642.29596	4.0
642.40991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01857	2.3
55.05511	9.0
57.03432	3.3
57.07092	0.7
61.02915	3.2
65.03922	1.4
67.05155	1.5
67.05499	19.6
69.03432	1.3
69.07060	7.8
71.04975	2.5
71.18328	0.9
73.02897	0.8
79.05488	18.0
79.95309	0.7
81.03412	2.7
81.07050	21.8
81.07505	1.8
83.04964	3.1
83.08627	3.9
83.96015	0.8
85.02914	2.9
91.03952	1.1
91.05471	24.3
92.05807	1.4
93.07037	19.1
95.04955	4.3
95.08598	13.6
97.02901	1.5
97.06531	3.5
97.10174	2.9
99.80905	0.8
105.07020	23.1
107.04947	3.0
107.08575	9.0
109.06508	2.9
109.10158	5.4
111.04478	1.2
111.08066	1.4
115.05442	1.5
117.07014	9.7
119.08569	14.2
120.08818	0.9
121.06505	2.4
121.10116	5.9
123.08029	1.5
125.09679	1.0
126.51812	0.8
128.06247	0.9
129.06989	5.4
130.07806	1.0
131.08560	19.2
132.08839	1.1
133.06491	1.0
133.10103	8.4
135.01361	0.7
135.08052	2.4
135.11700	2.5
137.09593	1.7
139.11226	0.7
141.06985	3.0
142.07710	1.1
143.08554	6.5
145.06482	2.5
145.10098	11.3
146.10551	1.3
147.08034	1.6
147.11681	3.6
149.09578	2.0
149.13188	1.3
155.08554	2.4
157.10120	5.3
159.11714	5.7
159.34116	0.8
161.09630	1.1
161.13225	1.1
163.11156	2.6
169.10136	2.9
171.11694	3.1
173.11865	1.0
173.13274	2.4
181.10141	1.5
183.11644	2.4
185.13275	1.4
187.11046	1.2
187.14752	1.6
189.11223	0.9
195.11691	2.0
197.13255	2.5
209.13248	1.4
211.14868	1.5
213.12671	1.3
216.40718	0.9
223.14880	1.4
247.16901	1.2
257.19052	1.0
267.15945	1.2
275.20087	3.7
276.20285	1.9
283.15326	1.3
335.23621	1.2
343.26471	1.3
349.23788	1.3
353.24747	5.8
371.25781	5.8
389.26700	4.3
445.29459	100.0
446.29666	6.5
463.24374	1.6
463.30487	22.6
464.30859	1.6
584.51605	0.9
607.34406	1.1
624.42871	1.0
642.29248	1.9
642.44336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01867	11.3
55.05508	39.4
57.03439	18.0
59.38402	1.9
61.98919	1.9
65.03944	4.6
67.05499	51.2
67.48129	2.1
68.05846	2.6
69.03422	12.4
69.06701	3.2
69.07063	36.1
71.05001	6.8
77.03932	2.3
79.05484	48.0
79.05944	2.4
80.05825	2.3
81.03409	93.9
81.07047	47.9
81.07502	3.4
82.07398	3.7
83.04982	8.0
83.08609	25.4
85.06541	2.0
87.14984	1.8
91.05476	46.0
91.06044	2.3
92.05817	3.6
93.07040	41.3
95.04956	36.1
95.08595	24.3
97.02901	12.2
97.06516	9.3
97.10155	17.9
99.08089	2.8
103.05495	2.3
105.04478	2.4
105.07014	34.4
107.04942	18.0
107.08576	24.8
109.06509	9.2
109.10134	16.1
111.04453	4.3
111.08067	8.6
115.05437	2.5
117.07018	13.6
119.04923	2.4
119.08563	27.7
121.06495	8.2
121.10143	13.6
123.04453	2.1
123.08054	5.5
125.09611	14.7
128.06233	2.2
129.06999	12.3
131.08557	22.5
133.06499	7.3
133.10091	14.9
135.08011	4.8
135.11699	5.6
137.09579	3.2
142.07761	2.9
143.08554	5.3
143.58655	1.7
145.10103	16.8
147.08026	10.9
147.11691	10.5
148.18964	2.0
149.02292	1.9
149.09636	10.4
149.13335	2.6
151.77715	1.6
153.09012	1.8
155.08519	3.2
157.10110	12.1
159.08032	2.6
159.11687	7.7
160.12006	2.2
161.09647	3.4
161.13245	2.2
163.11179	10.0
165.09039	2.5
171.11693	2.4
173.09569	2.5
173.11816	1.8
173.13315	3.1
175.11217	10.9
177.12758	1.9
189.11211	7.3
191.10632	2.2
191.14220	1.7
193.12212	17.5
205.12236	3.3
213.12704	1.8
219.13840	4.2
223.13234	21.0
227.12761	10.3
229.14259	2.1
249.14891	7.4
257.85126	2.5
267.15872	94.1
268.16165	2.3
273.18457	13.8
275.20038	5.6
276.20337	3.5
283.15335	5.9
291.19513	100.0
292.19928	4.1
313.21469	2.4
347.22192	3.2
349.23666	2.9
365.23242	44.9
379.61081	2.3
445.25507	1.9
459.27182	3.6
477.28458	4.9
539.33868	3.2
544.36847	3.6
557.34662	84.0
558.35181	2.4
575.35577	2.1
575.61646	1.9
607.35480	2.4
624.43427	3.1
642.29095	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	643.1501
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
53.03929	0.4
55.01826	0.8
57.02446	0.2
57.03392	0.6
61.02915	1.0
68.99754	0.3
69.03416	2.5
71.04945	0.2
71.42092	0.3
73.02885	0.4
81.03413	1.6
81.26702	0.2
82.14235	0.2
83.01285	0.2
85.02892	6.9
89.49525	0.2
91.03925	0.4
93.03374	0.2
94.25201	0.2
95.04877	0.3
97.02879	2.3
99.04395	0.5
99.76534	0.2
109.02815	0.8
111.04406	0.2
116.57673	0.2
119.04952	0.3
121.02834	1.1
123.04353	0.4
125.02316	0.4
127.00272	0.2
127.03911	1.5
137.02333	3.5
137.03351	0.5
137.05902	0.3
145.04947	1.1
147.04358	0.3
149.02299	0.5
153.01839	1.0
161.05988	0.3
163.03865	0.3
169.01295	5.5
171.02847	0.4
171.04236	0.4
175.03854	0.5
181.01270	1.7
185.00829	0.3
189.05383	0.3
199.03893	0.9
203.03352	0.4
217.04980	1.3
221.04301	0.3
227.03319	0.5
235.06123	0.3
237.83600	0.2
245.04393	2.9
255.03006	0.4
263.05423	0.5
273.03857	2.9
289.03226	0.2
290.04089	0.6
301.03375	1.3
317.02826	0.4
319.04422	100.0
320.04742	3.0
335.03751	0.3
463.08139	0.3
481.09705	28.2
482.10184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01867	1.4
65.03939	5.6
67.05509	1.6
69.03417	1.3
69.64745	1.7
69.65140	2.3
71.01348	1.1
78.04720	3.1
79.05490	6.8
81.03419	4.1
81.07065	2.0
82.04205	1.5
85.02914	3.4
91.05486	5.2
92.02665	0.8
93.03426	2.0
95.04964	5.1
97.06522	2.2
98.23266	1.8
103.05468	14.2
103.06116	1.5
105.03397	2.5
105.07036	6.7
106.04207	1.2
107.04956	8.1
109.06525	1.8
109.09081	0.9
110.03655	2.9
111.04453	2.5
115.05441	6.2
115.47428	0.9
117.07021	6.2
118.04181	4.0
119.04949	2.3
119.08598	1.4
121.06551	1.4
123.04421	7.1
124.05225	3.7
125.05973	3.4
130.04156	1.1
131.04933	15.4
131.08591	1.0
132.05710	1.3
133.02882	2.7
133.06511	5.3
135.04427	1.5
135.08052	2.4
137.05984	5.7
138.03148	1.6
140.04721	1.6
141.07056	1.1
144.05693	2.0
145.06470	10.7
147.04443	1.0
147.08012	2.3
148.05170	7.3
149.05962	2.6
151.03903	3.7
151.07576	2.7
152.04709	2.8
153.05441	8.0
155.06033	3.3
155.07112	2.3
157.06514	1.0
159.07990	1.6
160.07381	1.5
161.05951	5.9
162.06842	1.4
163.07516	17.3
165.04272	1.0
165.05412	5.1
165.09218	0.9
167.07028	100.0
168.07416	1.3
171.06494	5.3
173.05972	15.4
175.07578	3.7
176.04782	2.5
177.05493	2.7
179.07072	2.9
180.07854	2.3
181.04944	88.7
182.05315	1.6
187.07553	3.6
188.06915	1.5
189.05519	1.3
191.07019	64.9
192.07607	1.4
193.05017	3.8
193.08620	2.3
195.06529	3.1
201.05490	1.7
203.07036	3.1
205.08513	6.4
207.06561	3.5
207.10306	1.8
208.07288	3.7
209.08098	2.1
210.11491	1.1
217.08691	2.9
219.08270	1.7
219.10115	5.2
221.07991	1.8
225.07513	8.6
226.08284	2.0
231.06339	1.4
233.08009	8.8
234.06775	1.0
235.07520	1.8
235.09676	7.1
245.08017	1.2
247.09613	1.8
263.09158	11.0
267.10101	2.3
285.08328	1.1
295.09766	0.9
307.09601	1.6
309.11206	1.3
325.07260	1.4
325.10773	2.8
327.12332	1.0
337.10663	1.2
355.11453	1.4
357.13281	3.0
367.11682	1.1
369.13303	1.0
385.12704	6.4
387.14331	9.2
399.14450	1.9
417.15414	35.2
418.15668	1.7
450.16245	14.9
451.16940	1.5
492.17218	1.2
493.18115	2.8
500.26630	1.0
625.26007	1.6
642.45569	42.8
643.27203	22.6
643.45630	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	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06012	0.2
54.58607	0.2
55.01868	0.6
55.05501	1.0
57.03417	0.6
67.05211	0.3
67.05499	3.0
69.03428	0.4
69.07040	0.9
71.04966	0.3
74.74924	0.2
76.76499	0.2
79.05484	2.0
81.03407	1.6
81.07048	2.4
83.04942	0.5
83.08599	0.7
84.50287	0.2
85.06525	0.2
91.05473	2.2
93.07021	1.4
95.04964	0.6
95.08596	1.1
97.06529	0.4
97.10126	0.4
105.07005	1.4
106.07338	0.3
107.04934	0.4
107.08562	1.3
109.10149	1.4
111.08041	0.3
116.67793	0.2
117.06981	0.5
119.08577	1.1
121.10128	0.7
123.08022	0.2
125.09624	0.3
126.50298	0.3
129.06987	0.5
131.08549	1.0
133.10132	1.2
135.11653	0.4
137.09660	0.3
143.08473	0.4
145.10081	0.5
147.11678	0.8
149.09607	0.5
149.13275	0.2
151.11179	0.6
153.70483	0.2
157.10104	0.4
161.13158	0.3
163.11142	0.5
185.13278	0.3
193.12288	0.4
227.12708	0.3
253.14351	1.1
254.14658	0.4
267.15884	0.8
268.16156	0.3
273.18661	0.4
275.20135	0.7
291.19482	0.3
333.24326	0.3
367.24982	0.3
395.11346	0.4
396.12100	1.4
397.12979	1.7
398.13684	1.1
399.14758	0.4
409.13290	0.6
410.13727	2.5
411.14502	6.5
412.15182	4.3
413.16125	2.2
414.16675	0.5
423.10022	0.5
423.15396	1.5
424.11157	1.2
424.16214	2.4
425.16174	12.0
426.16821	9.7
427.17548	2.3
428.18726	1.6
436.15601	0.3
437.16150	1.1
438.13281	3.1
438.17722	1.1
439.13583	13.2
440.13934	1.6
440.19278	4.7
441.19250	35.0
442.19644	3.5
451.13596	0.8
452.14377	4.5
453.15231	16.4
454.15842	4.9
455.16647	0.9
455.88342	0.3
457.14871	0.6
463.14267	1.1
464.14621	0.6
465.15524	0.3
466.11719	0.5
466.17014	0.7
467.17087	25.3
468.17792	14.7
469.18716	13.1
470.18726	1.0
471.16785	0.9
479.15918	0.4
480.17581	0.9
481.14737	15.4
482.15366	4.6
483.16284	0.8
485.18649	1.3
486.19244	0.4
487.19785	0.4
495.15634	3.1
496.17090	13.9
497.17606	2.9
498.18716	0.9
499.19540	1.0
500.19965	0.3
508.18195	0.3
509.18149	2.5
510.18625	0.9
512.20392	1.2
513.20770	0.5
514.22614	2.1
523.19604	1.5
526.17944	0.4
527.23413	2.8
528.23407	0.3
537.19354	0.6
539.19592	0.4
540.20184	0.6
541.21259	0.3
542.21918	0.7
555.22345	24.4
556.22791	3.3
558.35016	0.5
568.18573	0.6
583.21826	100.0
584.22089	12.8
586.20294	0.4
587.25354	1.3
611.21344	1.4
614.23584	1.0
615.24390	9.1
616.24628	0.9
625.44983	0.6
643.23853	51.0
644.24152	6.6
653.01251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05419	1.7
53.23373	1.8
54.32763	1.6
55.05492	4.8
55.36993	1.9
57.03427	2.8
61.02902	1.9
66.00871	2.2
67.05491	9.0
69.03410	5.9
69.06721	2.4
69.07058	32.9
71.04968	4.4
73.21336	1.7
79.05478	7.6
80.55422	2.2
81.03382	2.7
81.07050	27.9
83.04956	3.7
83.08618	2.2
85.02885	10.4
91.05491	4.2
93.07029	12.4
95.04977	10.2
95.08572	9.5
97.06509	11.6
97.10154	2.3
98.23096	3.3
99.08080	9.9
105.07027	11.0
107.08579	18.4
109.06490	5.4
109.10143	6.6
117.06995	3.4
119.08585	8.7
121.06487	7.4
121.10111	3.7
123.08052	14.8
125.09608	12.4
127.11161	5.6
131.08542	9.6
133.06451	2.5
133.10123	6.3
135.08000	2.3
135.11661	5.5
137.05934	7.0
137.09573	3.6
141.09038	2.0
143.08519	4.7
143.10631	6.4
145.10095	11.8
147.07994	7.7
147.11667	7.1
149.09615	2.6
149.13216	2.2
153.01813	8.2
155.08540	4.7
157.10066	2.9
159.08052	4.3
159.11646	7.5
161.05986	4.6
161.09622	5.2
163.07530	2.2
163.11201	2.7
165.12720	39.7
169.10092	4.5
171.08054	5.3
171.11624	3.8
173.09599	13.2
173.13269	3.1
175.11185	5.7
177.09239	2.2
177.12727	3.1
183.11734	3.0
185.09459	2.5
187.11179	7.7
189.09010	4.3
191.10686	8.1
193.12186	2.1
195.11650	4.4
197.09662	3.0
197.13284	2.5
199.11107	3.4
199.14935	2.4
203.14301	3.0
205.04695	6.1
207.10097	4.1
211.13188	2.3
213.12689	5.4
215.14272	6.3
223.14778	3.0
225.12711	2.6
231.13823	4.9
235.14786	2.2
237.16283	2.4
239.14316	4.5
249.03853	2.0
255.17268	2.6
265.15765	5.9
267.17453	2.4
268.79050	2.2
283.16846	5.1
285.16550	3.9
287.19946	4.9
301.17899	9.0
303.19382	10.4
311.20157	2.9
313.21472	4.9
319.19156	4.9
329.20724	4.1
333.05927	6.6
334.06354	6.2
335.06503	6.1
347.22134	2.7
353.21042	4.9
371.17462	4.4
371.22104	66.9
371.99905	2.4
391.26196	3.0
399.25372	3.0
409.27103	12.6
427.22772	3.0
427.28339	41.0
445.29443	100.0
446.29468	3.5
463.30585	16.7
481.31717	7.1
643.23761	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	643.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.05500	4.0
60.13868	1.8
67.05495	6.3
69.03419	4.9
69.07067	25.7
70.32417	2.0
71.04984	2.7
71.26349	2.6
79.05476	8.5
80.58755	2.0
81.03416	4.6
81.07056	34.7
81.55841	1.7
83.04970	3.1
85.02895	10.7
85.06538	2.0
91.05451	6.9
91.87222	2.0
93.07043	8.7
95.04967	9.2
95.08598	7.0
97.02872	2.2
97.06529	10.9
99.08086	10.4
105.06998	9.8
105.12470	1.9
107.04919	3.0
107.08586	19.3
109.06482	4.7
109.10138	4.9
111.08112	3.8
111.37985	2.1
117.07006	3.0
119.04877	1.9
119.08575	7.0
121.06490	3.6
121.10123	5.4
123.08092	12.6
125.09617	17.6
127.11183	5.3
127.14812	1.8
129.07018	2.0
131.08577	6.2
131.46870	2.2
133.10136	7.2
135.08107	3.3
135.11676	5.4
137.05956	8.4
143.08554	6.4
143.10684	3.8
145.06458	2.8
145.10109	10.4
147.07979	3.8
147.11690	6.6
149.09576	3.7
151.07547	2.9
153.01817	12.6
155.08571	3.9
157.10127	2.7
159.11688	5.7
161.05986	5.5
161.09612	6.8
163.07533	2.2
163.11081	1.9
165.12755	34.0
169.10120	2.8
171.08022	5.4
171.11662	1.9
173.09586	13.2
173.13206	4.1
175.11101	2.6
177.12769	2.7
183.11638	3.8
183.80786	1.7
185.13234	3.8
187.11172	7.3
189.09117	5.0
191.10658	5.3
193.12248	2.3
195.11688	4.2
197.13280	4.7
199.11368	2.4
201.12836	2.6
203.10484	1.9
205.04758	9.6
207.10095	3.7
209.13332	3.1
213.12636	3.0
215.14265	4.8
219.25061	1.8
225.12720	3.1
231.13736	3.6
249.14719	3.6
265.15878	4.1
283.16895	5.4
285.17041	5.9
287.19995	5.0
295.20422	4.3
301.17923	5.1
303.19562	9.2
313.21701	2.0
319.18976	3.5
320.04382	3.3
331.15323	4.3
333.05878	6.9
334.06360	5.6
335.06525	10.5
347.22006	2.7
353.21152	4.8
359.22427	2.2
371.22134	61.8
379.48694	2.0
385.84027	1.9
391.26437	2.5
409.27365	11.2
427.28387	38.9
428.28891	2.3
445.29474	100.0
446.29614	3.8
463.30634	15.6
481.31378	6.4
643.23566	16.4
663.19586	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05508	4.2
57.03440	3.5
58.02386	1.1
60.25811	1.3
66.05643	1.1
67.05505	4.9
69.03421	3.9
69.06707	2.3
69.07064	29.5
69.81911	3.3
70.85092	1.3
71.04985	1.5
79.05489	7.3
81.03420	2.8
81.07052	23.6
83.04981	2.5
85.02877	7.7
91.05472	6.0
91.45989	1.1
91.69393	1.4
93.07039	10.4
95.04964	8.7
95.08601	6.5
97.02881	1.6
97.06522	11.3
99.08082	8.1
105.07021	8.9
107.08585	19.4
109.06518	6.0
109.10172	5.2
111.08101	2.8
112.58122	1.3
117.07027	1.8
119.08585	6.4
121.06496	4.1
121.10145	4.9
123.08058	21.8
123.11685	3.3
125.09637	14.7
127.03928	2.1
127.11172	3.9
129.07018	2.1
131.08527	7.7
133.06493	2.2
133.10133	5.3
135.08061	3.3
135.11682	6.6
137.05969	2.2
137.09637	3.3
137.13271	1.7
139.46027	1.2
142.29657	1.2
143.08537	5.9
143.10654	7.2
145.06508	1.5
145.10100	13.3
147.08060	3.9
147.11670	5.8
149.09631	2.6
149.13249	1.6
153.01778	2.0
155.08571	2.4
157.10138	4.9
159.08052	1.9
159.11670	5.4
161.05934	1.7
161.09644	4.2
161.13266	2.4
163.11221	2.4
165.12740	37.0
167.07027	2.3
169.10123	3.3
171.08040	3.1
171.11694	3.3
173.09608	11.7
173.13251	3.1
175.11160	2.2
177.12740	1.6
179.14362	1.9
181.10130	1.8
183.11777	2.2
185.09587	2.7
185.13211	2.5
187.11218	5.0
189.09085	3.3
189.16354	1.3
191.10649	6.5
193.12138	1.8
195.11720	2.2
197.13261	4.1
199.11240	1.6
199.14996	1.5
201.12788	1.2
203.14349	2.0
205.12260	1.8
209.13431	1.5
211.11349	1.8
213.12709	3.2
215.14288	6.2
219.13850	1.7
223.11116	1.4
223.14899	1.9
225.12689	3.2
231.13821	5.9
243.13747	3.0
247.13225	2.5
249.14729	6.7
251.18103	1.2
255.17290	1.7
257.15073	1.4
265.15897	4.4
281.15305	1.3
283.16888	5.0
284.15704	2.6
285.18646	2.4
293.18716	1.4
295.20468	2.1
301.17902	5.7
303.19522	30.9
311.19968	3.3
313.21655	2.0
319.18948	3.5
323.19714	1.2
329.20993	3.6
330.48129	1.2
331.22690	3.4
347.22101	5.1
347.53540	1.2
353.21103	5.6
371.22137	98.5
372.22504	4.4
391.26428	2.4
409.27313	9.2
419.07990	1.3
427.28415	35.8
428.28809	2.2
445.29453	100.0
446.29837	3.3
463.24326	2.0
463.30515	23.1
481.31439	8.9
533.27344	4.0
643.22388	1.8
649.10773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05508	4.2
57.03440	3.5
58.02386	1.1
60.25811	1.3
66.05643	1.1
67.05505	4.9
69.03421	3.9
69.06707	2.3
69.07064	29.5
69.81911	3.3
70.85092	1.3
71.04985	1.5
79.05489	7.3
81.03420	2.8
81.07052	23.6
83.04981	2.5
85.02877	7.7
91.05472	6.0
91.45989	1.1
91.69393	1.4
93.07039	10.4
95.04964	8.7
95.08601	6.5
97.02881	1.6
97.06522	11.3
99.08082	8.1
105.07021	8.9
107.08585	19.4
109.06518	6.0
109.10172	5.2
111.08101	2.8
112.58122	1.3
117.07027	1.8
119.08585	6.4
121.06496	4.1
121.10145	4.9
123.08058	21.8
123.11685	3.3
125.09637	14.7
127.03928	2.1
127.11172	3.9
129.07018	2.1
131.08527	7.7
133.06493	2.2
133.10133	5.3
135.08061	3.3
135.11682	6.6
137.05969	2.2
137.09637	3.3
137.13271	1.7
139.46027	1.2
142.29657	1.2
143.08537	5.9
143.10654	7.2
145.06508	1.5
145.10100	13.3
147.08060	3.9
147.11670	5.8
149.09631	2.6
149.13249	1.6
153.01778	2.0
155.08571	2.4
157.10138	4.9
159.08052	1.9
159.11670	5.4
161.05934	1.7
161.09644	4.2
161.13266	2.4
163.11221	2.4
165.12740	37.0
167.07027	2.3
169.10123	3.3
171.08040	3.1
171.11694	3.3
173.09608	11.7
173.13251	3.1
175.11160	2.2
177.12740	1.6
179.14362	1.9
181.10130	1.8
183.11777	2.2
185.09587	2.7
185.13211	2.5
187.11218	5.0
189.09085	3.3
189.16354	1.3
191.10649	6.5
193.12138	1.8
195.11720	2.2
197.13261	4.1
199.11240	1.6
199.14996	1.5
201.12788	1.2
203.14349	2.0
205.12260	1.8
209.13431	1.5
211.11349	1.8
213.12709	3.2
215.14288	6.2
219.13850	1.7
223.11116	1.4
223.14899	1.9
225.12689	3.2
231.13821	5.9
243.13747	3.0
247.13225	2.5
249.14729	6.7
251.18103	1.2
255.17290	1.7
257.15073	1.4
265.15897	4.4
281.15305	1.3
283.16888	5.0
284.15704	2.6
285.18646	2.4
293.18716	1.4
295.20468	2.1
301.17902	5.7
303.19522	30.9
311.19968	3.3
313.21655	2.0
319.18948	3.5
323.19714	1.2
329.20993	3.6
330.48129	1.2
331.22690	3.4
347.22101	5.1
347.53540	1.2
353.21103	5.6
371.22137	98.5
372.22504	4.4
391.26428	2.4
409.27313	9.2
419.07990	1.3
427.28415	35.8
428.28809	2.2
445.29453	100.0
446.29837	3.3
463.24326	2.0
463.30515	23.1
481.31439	8.9
533.27344	4.0
643.22388	1.8
649.10773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
55.01852	3.8
56.52901	1.7
57.03419	4.5
58.04897	1.5
58.06493	1.8
61.02912	4.8
67.05497	2.3
68.99782	5.6
69.03421	24.0
69.07047	1.9
71.04971	4.2
73.02905	4.8
79.05492	4.3
81.03410	24.7
81.07046	5.4
83.04987	2.3
83.08599	2.8
85.02895	62.7
87.00822	27.3
91.03944	2.0
91.05475	16.7
93.07034	3.0
95.04965	8.8
95.08592	7.4
97.02886	20.4
97.10191	1.9
99.04436	7.8
103.03925	3.8
103.05447	16.0
105.01861	20.1
105.07021	16.5
106.02199	2.9
107.04945	21.3
107.08565	2.4
109.02871	22.4
109.06505	2.6
109.10138	7.8
110.10445	2.0
111.04424	2.8
115.05442	5.3
117.01883	2.7
117.07001	3.1
119.04948	11.5
119.08558	2.6
119.56059	1.8
121.06490	6.2
121.10094	1.8
122.03646	5.4
123.11687	7.7
124.12000	2.0
125.06010	1.7
127.03912	32.9
128.04201	3.2
128.06166	2.1
129.01811	5.0
129.06996	5.1
131.04913	28.2
131.08545	2.2
133.02844	3.7
133.06479	17.5
133.10101	2.9
135.08037	5.7
137.05966	100.0
139.53812	2.3
141.07021	2.9
143.04951	1.8
145.04962	13.3
145.06490	3.5
146.07195	2.4
147.02928	2.4
147.04369	8.9
147.13907	1.6
148.05016	1.8
149.05997	13.0
151.03870	3.0
151.07550	37.7
153.01828	3.8
157.06415	3.2
159.02882	5.6
159.04434	5.3
159.11670	2.4
160.05185	2.5
161.05969	73.8
161.09587	12.4
162.06709	3.4
163.07526	62.4
164.07054	5.2
165.09065	10.9
167.08519	2.9
168.97780	1.8
169.06526	2.3
173.13313	2.2
174.06717	4.7
175.07547	15.8
176.04704	2.3
177.05452	8.0
177.09088	9.5
179.06973	7.0
179.08429	2.1
179.10678	3.2
179.17963	2.8
180.18275	2.1
181.08604	11.7
182.08047	5.1
187.07541	4.5
188.04594	2.1
189.04021	9.9
189.05385	2.5
189.09087	44.6
191.05295	3.0
191.07010	40.2
193.08624	3.0
193.12233	4.6
195.07913	4.4
197.05939	5.7
197.19060	3.3
198.19371	3.4
199.19875	1.9
201.09142	4.0
203.07005	24.0
205.08528	3.3
207.10146	82.9
211.13219	4.2
213.09175	2.1
215.06989	6.3
217.08644	2.6
219.10101	6.9
221.11632	1.8
223.07680	2.1
227.10675	8.8
229.08600	10.6
231.05013	6.6
232.05325	3.2
233.05838	2.4
233.07993	14.0
237.09158	2.2
249.06212	2.6
249.11160	4.9
250.06390	2.3
251.10434	1.9
253.08611	3.2
253.12228	3.2
255.10144	9.7
257.08029	10.1
261.11163	3.9
265.08475	2.2
269.08041	2.4
273.11252	9.1
275.09079	6.9
281.11789	2.9
285.11206	7.3
285.16962	18.0
287.12665	17.5
291.12271	8.0
293.10385	2.2
297.11127	4.3
299.12643	3.6
311.12518	8.2
313.14331	15.7
325.14334	2.9
331.15381	56.0
332.15485	2.2
343.15448	9.8
379.10196	12.1
421.16211	2.2
439.17834	2.8
451.17368	3.3
472.11209	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01871	2.4
55.05505	5.7
55.76810	0.8
55.77097	0.7
57.03437	4.9
60.79727	0.7
61.02924	9.4
65.03941	1.0
67.05493	8.2
68.99773	0.8
69.03416	5.6
69.07053	3.3
69.27151	4.1
69.27538	1.2
71.04984	1.2
73.02905	4.0
79.05485	8.4
81.03409	37.4
81.07046	11.9
83.04969	7.1
83.08605	12.2
85.02895	27.5
85.06546	1.2
87.00818	4.0
91.03947	8.6
91.05469	11.9
93.07037	8.8
95.04962	14.0
95.08584	5.4
97.02898	8.9
97.06525	2.6
97.10179	0.9
99.04462	1.7
103.03951	1.3
103.05486	1.4
105.01846	1.7
105.07014	11.0
107.04959	5.2
107.08590	5.1
109.02859	3.9
109.06510	2.7
109.10155	2.1
111.04434	1.7
111.08078	7.0
113.06001	1.0
115.05453	1.2
117.07043	0.9
119.04958	1.5
119.08569	8.2
121.06472	1.7
121.10152	4.0
123.04399	0.7
123.07999	1.4
123.11712	1.1
125.09591	1.6
127.03892	7.4
129.01793	1.5
129.06982	5.0
131.04900	5.4
131.08556	4.6
133.06462	5.3
133.10092	6.5
135.08040	1.1
135.11681	1.0
137.05960	14.9
137.09624	0.8
141.06975	0.8
142.07704	1.4
143.08539	1.3
145.04945	3.2
145.10034	1.4
147.04393	1.5
147.08012	1.9
147.11655	8.9
149.05933	1.3
149.09532	3.6
151.04027	0.8
151.07535	4.7
153.01828	1.5
157.10117	8.4
159.02919	0.9
159.11711	1.2
161.05946	6.4
161.09579	2.8
161.13168	0.8
163.03908	2.4
163.06013	5.1
163.07547	5.9
165.09146	1.4
165.12727	3.3
175.07503	2.5
175.11140	9.2
181.08678	0.8
187.07539	1.0
189.03880	1.3
189.09094	5.3
189.12794	1.2
191.07014	7.3
193.12216	37.3
194.12579	0.9
201.09087	0.9
203.07062	5.3
205.08585	1.0
206.56194	0.8
207.10139	9.2
211.13263	29.9
212.13557	0.8
215.07161	1.2
215.14305	0.9
217.15947	1.0
219.10091	1.2
229.08658	2.2
229.14345	1.5
233.08078	2.2
257.08121	1.7
267.15851	15.4
273.11243	1.4
275.09052	0.9
285.16925	100.0
286.17288	2.8
287.12787	1.2
291.12244	1.8
293.10272	1.2
299.12866	1.0
313.14175	0.9
331.15305	6.9
343.15491	1.6
355.15353	0.9
379.10358	2.1
393.27689	0.8
411.28879	6.9
421.16370	1.4
429.21198	1.0
429.29929	12.1
447.31125	3.5
465.32159	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74081	0.4
53.03930	1.1
55.01876	0.9
55.05505	4.0
57.03431	4.8
61.02921	6.7
65.03912	0.4
65.37130	0.4
67.05494	6.2
69.03419	2.5
69.07058	2.2
69.98955	0.9
69.99287	0.5
71.04980	1.8
73.02905	2.8
79.05484	6.8
81.03407	28.9
81.07043	8.7
83.04965	5.5
83.08610	9.7
85.02894	15.6
85.06521	0.7
89.13947	0.4
91.03945	5.0
91.05468	9.5
93.07031	5.9
95.04958	10.5
95.08600	3.3
97.02882	4.8
97.06516	1.6
97.10152	1.0
99.04438	0.9
99.08099	0.4
103.03904	0.5
103.05444	0.4
105.07028	7.6
107.04934	2.2
107.08588	1.9
109.06516	1.4
109.10133	0.6
111.04443	0.9
111.08062	4.7
113.05979	0.7
115.05457	0.7
117.06989	0.6
119.04899	0.4
119.08558	7.2
121.06512	0.6
121.10117	3.3
123.08044	1.0
123.11690	0.7
125.09614	0.7
127.03922	2.1
129.06984	3.9
131.08562	4.5
132.08853	0.4
133.06474	1.5
133.10123	3.6
137.05980	1.6
137.09573	0.5
142.07750	0.6
145.04970	2.4
145.10104	0.5
147.08009	1.1
147.11673	6.8
149.09587	2.1
151.07507	0.4
153.01755	2.1
157.10107	6.6
161.05899	0.9
163.06003	2.9
163.07394	0.9
165.12700	2.0
175.11147	6.9
182.80846	0.4
189.09094	0.8
190.91701	0.4
193.12219	25.0
194.12546	0.8
207.10115	0.8
211.13268	18.8
212.13654	0.6
229.14194	0.7
248.59758	0.4
267.15894	7.2
285.16928	100.0
286.17276	3.4
287.83206	0.5
291.12170	0.5
331.15323	0.6
411.20010	0.5
429.21420	2.0
447.22168	2.4
493.09811	0.4
644.26025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01866	2.4
55.02411	1.8
55.05268	1.9
55.05512	19.8
57.03432	24.8
57.07061	1.9
61.02934	4.0
62.81196	1.9
65.03933	3.1
67.05495	48.5
68.05811	1.9
69.03408	4.7
69.07057	16.8
71.01334	2.9
71.04971	7.5
71.42638	2.0
75.04486	1.7
75.55750	1.4
76.92480	1.6
77.03930	1.7
79.05042	3.0
79.05485	45.8
80.05831	2.3
81.03410	71.2
81.07049	36.5
83.04970	13.0
83.08613	21.2
85.02893	7.3
85.06529	4.1
90.65606	1.6
91.05471	30.1
93.07038	47.0
94.07360	2.1
95.04957	33.1
95.08600	13.0
97.02850	3.6
97.06524	12.6
97.10139	12.6
99.08125	2.4
105.07018	21.2
107.04939	9.3
107.08582	31.9
109.06518	7.1
109.10129	8.8
111.04396	2.8
111.08067	10.9
117.07014	7.2
119.08558	16.1
121.06474	4.9
121.10145	11.8
123.08032	1.9
125.09615	6.9
128.06142	1.7
129.06990	10.6
131.08549	10.5
133.10112	11.3
135.08043	2.1
135.10632	2.4
135.11674	44.6
137.09648	2.6
143.08618	2.7
145.10107	13.2
147.08003	3.2
147.11668	10.0
149.09602	7.8
153.12762	3.3
154.70151	1.7
155.08594	2.9
157.10088	10.1
159.11601	2.9
163.11179	9.6
166.05446	1.7
173.13245	2.4
175.11176	10.0
175.14674	1.9
180.44652	1.7
181.12218	11.5
189.11160	2.5
193.12225	19.6
199.13344	2.7
209.11694	3.7
211.13251	5.7
223.17012	2.2
227.12798	4.7
229.14232	2.3
249.14699	1.7
255.15884	100.0
256.16226	3.3
267.15866	62.6
268.16190	3.2
273.45486	1.7
275.20056	4.0
283.15344	3.8
285.16910	3.9
301.16611	2.9
421.25824	8.6
422.26944	1.8
447.27368	93.0
448.27325	4.8
465.27994	2.3
475.26602	4.6
477.28580	3.2
489.28867	2.0
493.27930	6.0
511.29004	18.0
541.35046	4.0
550.73224	1.7
559.36212	2.9
588.13263	2.3
645.35889	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	644.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
54.31667	2.0
55.01867	11.3
55.05506	34.8
57.03435	16.4
59.01270	1.9
59.04990	2.2
65.03917	4.4
67.05158	3.6
67.05499	53.2
69.03416	5.0
69.07058	16.5
70.54915	2.9
71.01340	2.1
71.04978	6.4
75.04469	4.0
77.03931	2.4
79.05483	59.2
81.03412	71.9
81.07050	49.1
83.01310	2.8
83.04967	22.7
83.08611	27.0
85.02897	20.4
85.06548	4.2
91.05475	53.8
91.06049	2.8
93.07037	38.7
95.04963	29.3
95.08601	21.8
97.02913	9.1
97.05976	2.0
97.06492	10.3
97.10155	19.3
99.08047	2.2
105.04519	3.6
105.07014	36.8
107.04957	20.9
107.08592	35.9
109.06510	11.8
109.10116	12.7
111.04443	5.2
111.08090	11.2
115.05462	1.9
117.07043	12.1
119.08566	29.0
121.06489	7.3
121.10137	19.1
123.08012	9.3
123.11712	4.2
125.09607	14.9
125.26192	1.7
126.25878	2.0
129.06998	14.9
131.08554	22.2
133.06476	4.2
133.10095	15.7
135.08032	7.6
135.11685	16.3
137.09576	6.1
141.06975	2.3
142.07777	2.8
143.08548	3.2
145.10092	16.5
147.08083	5.4
147.11667	14.3
149.09598	8.1
151.11272	2.0
153.12708	6.4
155.08528	4.2
157.10083	13.3
159.11688	4.0
163.11168	21.2
165.12744	2.5
171.11667	2.4
173.09631	3.8
175.11227	10.0
181.12177	5.0
189.11156	10.2
191.10634	6.5
193.12238	31.8
209.11708	13.1
211.13298	27.7
227.12770	22.9
229.14140	2.3
242.39716	2.2
265.14276	8.1
267.15875	41.1
267.95917	2.0
273.18494	2.6
275.20023	8.3
283.15387	13.8
285.16867	16.2
289.17941	2.9
291.19501	2.7
299.19983	2.5
301.16357	12.8
307.19009	2.3
317.21591	1.9
349.23636	5.0
437.25174	4.7
447.27423	3.9
457.25726	12.6
459.26819	2.1
467.31870	3.0
475.26913	25.7
477.28201	2.4
479.28802	2.4
493.27942	32.4
494.28250	3.0
503.00403	2.2
511.28967	100.0
512.29150	8.1
541.35114	23.8
559.36267	11.8
573.33722	3.7
591.35034	9.3
645.36224	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	644.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45724	0.7
55.01873	1.5
55.05502	3.6
56.90173	0.9
57.07053	0.9
67.05498	13.5
69.03423	3.2
69.07066	14.1
71.04978	2.3
71.42890	0.8
76.74741	1.1
79.05492	6.0
81.03385	1.5
81.07053	15.8
83.04987	1.5
83.08611	2.6
85.02898	6.3
91.05455	4.9
93.07034	15.6
95.04956	2.5
95.08601	17.6
97.02889	2.3
97.06525	3.7
97.10159	1.5
99.04386	1.1
99.08096	1.9
103.05465	1.1
105.03409	1.0
105.04527	0.9
105.07027	12.9
107.08576	14.1
107.09248	1.3
109.06503	3.6
109.10152	43.4
111.08069	1.8
111.11622	0.9
117.07011	3.1
119.04953	1.5
119.08559	9.6
120.02023	0.9
121.06485	5.6
121.10134	11.5
123.08064	7.7
123.11679	1.9
125.05980	1.3
127.03920	2.2
127.11198	4.6
129.06975	1.5
131.04901	2.3
131.08553	7.4
133.06508	2.3
133.10103	6.8
135.08037	1.8
135.11671	5.1
137.05962	5.7
137.13235	2.0
143.08553	4.3
143.47247	0.9
145.06493	2.1
145.10107	9.7
147.04396	2.0
147.08031	4.7
147.11685	4.0
149.09618	1.0
149.13263	3.8
151.07489	1.2
151.11214	1.1
153.01823	1.9
155.08511	4.3
157.10115	4.4
159.08060	3.9
159.11687	6.5
161.09592	4.4
161.13254	11.1
163.03877	1.2
163.07587	2.2
163.11221	1.6
163.14809	2.4
165.12701	1.3
167.06892	1.5
169.10184	3.0
171.08018	5.0
171.11710	2.2
173.09627	11.7
173.13280	4.2
175.07452	1.0
175.11179	3.6
175.14844	1.0
177.16397	3.3
179.14297	7.7
181.10170	1.7
183.11652	1.9
185.09721	1.1
185.13252	3.1
187.11189	8.2
187.14845	3.2
189.09065	2.4
189.12701	1.4
189.16411	1.3
191.07060	1.7
191.10652	5.6
193.10172	1.0
195.11713	2.6
197.09625	1.4
197.13226	2.8
199.11258	1.8
199.14789	2.2
200.11996	1.2
201.12772	2.5
201.16437	1.6
203.10645	1.4
205.12267	2.8
207.11784	1.2
207.17346	1.1
209.13387	1.2
213.12724	3.6
215.10742	1.9
215.14308	13.3
215.17859	1.7
217.12151	1.9
221.13303	1.6
225.12749	2.4
225.16367	1.4
227.14316	2.2
231.13802	6.9
233.11588	1.1
233.15361	9.0
239.14236	2.2
241.15630	1.1
243.13911	1.1
245.15439	1.5
249.14861	3.4
253.16035	1.3
255.21269	1.5
261.14734	1.4
267.13925	1.1
267.17468	1.5
279.15796	1.6
281.15494	1.6
283.17044	1.9
285.18094	1.3
297.22134	1.0
301.17896	1.6
303.19470	1.3
307.20972	1.3
329.21130	1.2
337.21606	2.8
343.22583	1.5
355.22638	3.9
361.23727	1.5
373.23642	4.2
375.26816	3.4
393.27847	11.3
411.28885	32.2
412.29398	2.2
429.29987	100.0
430.30002	4.8
447.31021	66.0
448.31461	3.4
465.32147	14.7
585.55072	1.0
610.10339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
54.14364	1.4
55.01867	10.5
55.05509	48.4
57.03432	28.5
57.07042	2.8
57.55482	1.3
59.04997	6.5
65.03934	4.6
67.05500	100.0
69.03429	8.3
69.07064	17.7
69.91636	4.5
71.01361	2.3
71.04993	9.7
71.08622	1.6
73.02917	4.0
77.19109	1.5
79.05489	54.9
79.47865	1.3
80.91895	1.3
81.03412	75.5
81.07053	55.2
83.04979	29.1
83.08613	31.8
85.02898	34.1
85.06538	4.1
87.04465	8.8
91.05475	54.5
93.07041	33.0
95.04962	34.5
95.05534	2.9
95.08601	23.8
97.02890	5.4
97.06535	8.7
97.10169	18.5
99.08072	3.7
103.03956	2.9
105.04504	2.8
105.07019	34.0
107.04929	11.9
107.08592	19.0
109.06510	8.2
109.10151	55.3
111.04443	3.0
111.08072	14.4
113.05998	3.7
115.05434	2.1
117.06993	5.6
119.08578	27.2
121.06511	4.4
121.10121	13.7
122.66441	1.5
123.08073	5.7
123.11740	2.4
125.09618	16.7
129.05475	4.1
129.06992	14.7
131.08549	15.0
133.06487	4.2
133.10107	16.5
135.08037	3.3
135.11687	5.6
137.09599	5.3
142.07764	2.8
145.10109	8.0
147.08051	6.4
147.11664	16.3
149.09595	9.4
153.12762	2.0
155.10649	3.5
157.10117	14.8
163.11145	9.3
165.12764	4.3
173.11754	18.6
175.11154	18.0
181.12227	3.3
189.11275	1.9
191.10687	2.2
193.12230	65.4
194.12535	2.5
199.13280	8.9
209.11661	4.7
211.13274	73.3
212.13600	2.5
227.12796	7.0
229.14333	53.7
257.13779	1.6
267.15909	23.0
271.36179	1.4
285.16956	50.8
301.16400	9.8
399.23709	22.4
399.28320	2.2
421.25787	6.8
439.26846	23.7
493.28662	2.0
511.29059	2.4
559.36163	1.6
609.36298	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	644.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01862	10.5
55.05507	46.0
57.03435	26.8
57.07077	4.0
59.04993	7.5
59.89353	2.6
65.03940	4.0
67.05499	100.0
68.05844	3.2
69.03424	9.0
69.07064	32.1
71.01324	2.6
71.04992	12.3
71.08629	7.8
71.18011	3.0
79.05486	65.6
81.03407	83.8
81.07051	76.0
81.07413	1.7
82.07379	3.5
83.04965	14.8
83.08613	35.2
85.02905	19.3
85.06534	7.9
87.04477	12.8
89.06023	6.4
91.05470	68.9
92.05823	4.3
93.07038	62.2
93.07597	3.7
94.07359	4.5
95.04953	44.2
95.08600	41.5
97.02898	3.1
97.05924	3.1
97.06519	12.3
97.10156	16.3
99.08104	7.9
101.06087	2.6
105.07024	54.7
107.04950	8.2
107.08592	35.6
109.06512	8.1
109.10139	45.2
110.10491	4.2
111.04483	3.8
111.08096	14.7
117.07023	18.9
119.08571	46.0
121.06464	7.0
121.10121	24.4
123.08047	10.4
123.11683	6.8
125.09643	14.3
129.05550	3.3
129.07004	17.2
131.08577	24.6
133.06500	6.4
133.10114	25.9
134.10489	4.1
135.11694	12.6
137.09634	6.6
141.06990	5.7
143.08568	9.2
145.10133	15.4
147.08083	5.9
147.11658	22.7
149.09579	14.2
149.13269	5.5
151.11183	6.4
155.08568	5.6
157.10153	21.7
159.11720	9.1
161.09644	3.8
161.13232	7.9
163.11212	10.3
165.15956	3.1
169.10088	3.9
171.11667	6.7
173.11778	12.1
173.13210	4.4
175.11192	14.8
175.14842	3.3
177.12691	3.8
181.12370	3.3
183.11870	3.6
185.13287	4.2
187.14784	3.9
189.11240	8.4
193.12242	40.8
196.90552	2.8
197.13322	3.8
209.11642	4.8
211.13255	35.4
227.12767	9.7
229.14301	26.8
235.95590	2.9
253.14314	6.5
254.14801	3.8
259.20471	6.6
267.15891	52.0
275.20111	10.8
277.21707	5.0
283.15427	3.6
285.16919	16.7
293.21072	29.5
301.16357	4.2
349.23679	5.0
367.24557	9.5
399.23715	10.7
414.15158	3.2
426.16394	12.2
427.16782	8.3
439.13791	4.5
439.26663	12.5
439.80417	3.0
440.14151	9.1
441.18729	9.1
442.19577	32.5
443.19159	6.8
453.14648	3.5
454.15460	14.8
461.28754	5.9
468.17291	21.1
469.17938	12.5
470.18652	8.6
471.18839	3.2
482.15463	12.4
483.15274	5.4
497.17065	10.0
525.35327	4.7
541.35138	3.9
543.36475	8.9
556.22620	18.8
557.22247	3.6
559.36548	19.7
583.21936	5.6
584.13031	5.4
584.22058	93.0
585.22101	22.6
609.36078	10.8
616.24628	7.0
644.24036	53.6
645.23712	13.7
645.34741	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	644.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78059	2.7
53.03929	9.5
55.01867	8.8
55.05507	31.4
57.03432	16.6
57.07065	2.9
58.99392	2.6
59.04992	3.0
65.03913	4.4
67.05161	3.9
67.05499	69.1
69.03415	6.8
69.07057	26.3
69.26491	14.6
70.81525	2.4
71.01339	2.6
71.04991	7.8
79.05043	3.9
79.05485	64.0
81.03407	100.0
81.07049	79.2
83.04960	15.9
83.08611	31.6
85.02879	5.2
85.06536	7.9
87.71518	2.8
91.05470	53.9
93.07032	67.0
94.80240	2.6
95.04958	40.0
95.08589	30.4
97.06525	17.7
97.10143	13.2
99.08092	4.7
105.07018	47.5
107.04935	15.1
107.08575	35.2
108.49815	2.7
109.06483	12.2
109.10150	18.3
111.08039	11.9
117.07034	13.9
119.08564	34.5
121.06483	8.6
121.10147	17.8
123.08063	4.4
123.11668	3.6
125.09594	13.9
129.06987	21.2
131.08560	30.0
133.06464	5.5
133.10117	27.9
135.08023	5.0
135.11676	15.4
137.09615	6.2
141.07040	5.7
143.08582	5.8
145.06400	2.7
145.10095	17.2
147.08025	4.4
147.11684	22.1
149.09621	11.1
149.13240	10.8
155.08508	5.0
157.10120	14.8
159.07968	3.1
159.11699	11.5
163.11154	10.1
165.12755	4.1
169.10170	3.7
171.11723	3.9
173.09697	2.8
173.13248	5.8
175.11234	12.2
177.12749	5.0
181.12291	3.5
183.11696	4.0
185.13210	4.9
189.11224	4.9
193.12250	25.1
211.13312	8.1
217.15927	3.5
227.12785	11.9
229.14389	3.2
255.15839	15.3
257.18903	4.3
267.15891	76.5
268.16074	3.1
269.17435	27.2
275.20078	26.5
287.03485	2.6
293.20999	3.2
339.66571	3.1
349.23611	18.6
369.24225	11.4
387.25012	5.1
443.27777	9.1
447.27316	27.1
449.30240	3.9
461.22705	5.1
461.28912	81.2
467.31778	3.6
477.28525	7.2
493.31543	11.1
511.28549	4.7
541.35339	25.4
559.35901	11.1
591.36090	2.6
643.68378	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	644.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01872	12.1
55.05504	36.8
57.03429	18.3
57.07070	3.3
59.04997	2.6
59.74959	2.2
65.03929	5.4
67.05499	85.4
68.05803	2.2
69.03423	8.9
69.07067	26.7
71.01350	2.9
71.04993	13.2
73.02905	2.7
76.44340	2.3
77.03921	2.7
79.05488	61.5
81.02956	4.2
81.03409	58.2
81.07050	84.0
83.04970	23.9
83.08616	36.0
85.02900	25.9
85.06547	7.2
91.05473	64.9
93.07040	52.5
94.92277	2.3
95.04964	37.5
95.08601	32.6
97.02888	4.4
97.06541	17.4
97.10157	18.4
99.08116	4.7
105.04501	3.2
105.07019	40.4
107.04934	15.2
107.08582	33.2
108.23197	2.2
109.06495	13.1
109.10143	30.9
111.04398	3.7
111.08079	15.0
111.91923	2.1
113.06017	3.4
115.05498	3.3
116.04636	2.3
117.07015	16.0
117.26274	2.2
119.08569	36.7
121.06496	6.2
121.10130	23.3
123.08057	14.2
123.11719	6.2
125.09637	12.3
128.06113	2.6
129.05499	2.3
129.07028	12.4
131.04886	2.8
131.08577	24.2
133.06454	5.7
133.10121	25.5
135.08058	7.2
135.11697	10.6
137.09607	7.7
139.11200	2.4
142.07735	2.6
143.08551	4.0
145.10112	11.1
147.08006	4.4
147.11702	22.2
149.09581	14.4
149.13243	8.1
153.12845	3.2
157.10112	14.7
159.07985	2.5
159.11717	6.7
161.09593	2.5
163.11208	6.8
165.12773	4.5
165.16235	2.1
166.49124	2.0
169.10164	2.8
171.11719	3.9
173.11755	7.4
173.13182	3.4
175.11142	14.3
183.11703	3.1
189.11212	9.2
190.84438	2.4
193.12218	33.4
194.12602	3.3
195.13799	3.0
199.63902	2.5
205.46686	2.3
211.13269	49.6
211.15132	4.5
220.64510	2.4
227.12767	16.8
228.21985	2.1
229.14331	20.1
233.29845	2.2
254.99161	2.4
257.18973	6.9
267.15897	25.3
269.17404	14.1
273.18390	8.7
275.20044	21.5
283.15280	6.0
285.16968	38.6
291.19443	14.7
301.16443	9.5
347.22321	3.0
349.23682	9.7
365.23145	4.0
367.82529	2.5
383.23853	2.3
399.23706	2.5
421.25781	7.8
439.26764	32.3
440.27252	3.2
443.28003	2.8
461.28888	28.9
479.30026	100.0
480.30161	8.3
519.33264	2.6
529.31836	2.4
538.64441	3.0
541.34717	6.4
559.36383	11.9
591.37561	4.4
609.35004	2.9
626.41943	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	644.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.3
57.07071	32.8
59.04978	0.9
67.05506	5.2
69.07052	5.1
71.08625	27.5
73.06545	8.9
77.54187	0.8
79.05483	3.0
81.07043	3.6
83.08611	3.1
85.10178	17.0
87.04453	7.8
89.06023	100.0
91.05482	1.5
91.07573	1.2
93.07036	2.3
95.04984	0.8
95.08606	2.6
97.10146	3.7
99.11739	3.2
105.07014	1.0
107.07072	2.8
107.08601	1.2
109.10150	1.9
111.11703	2.4
113.13284	2.0
117.09116	6.7
119.08604	1.7
121.10101	0.8
122.50198	0.7
130.08650	1.1
131.07014	2.9
131.08540	1.0
133.08594	46.6
134.08922	0.8
147.11761	0.7
161.11731	1.0
169.19502	3.7
175.09674	1.8
177.11203	20.2
177.45949	0.8
213.22127	2.9
216.29514	0.8
221.13817	4.2
257.24701	5.9
265.16513	1.1
283.17487	1.6
301.27402	2.7
309.18961	0.8
327.20081	1.1
459.27933	3.0
551.23029	0.9
626.45056	0.9
627.46484	3.7
644.48254	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.61667	0.5
55.01857	1.2
55.05507	8.0
57.03431	9.2
57.07065	2.0
61.02937	1.5
65.03950	1.4
67.05500	37.7
69.03422	1.2
69.07064	11.3
71.01353	1.6
71.04996	3.4
77.03919	0.8
79.05486	26.6
81.03413	3.5
81.07050	33.6
82.07404	0.6
83.04967	6.2
83.08620	6.0
85.02912	1.3
85.06539	2.2
91.05470	11.2
93.07038	37.9
94.07405	0.7
95.04968	4.6
95.08602	10.4
97.02893	0.8
97.06522	8.1
97.10159	5.2
97.64509	0.6
98.22723	1.7
99.04412	0.8
99.08104	1.6
105.04519	1.6
105.07035	3.6
107.04924	0.8
107.08585	23.2
109.06488	1.3
109.10131	3.6
109.89911	0.6
111.08109	3.2
111.08752	0.6
113.09662	0.6
115.84700	0.6
117.07040	4.7
119.08550	3.8
121.06478	0.9
121.10152	9.1
123.11707	1.1
125.09637	0.8
131.08554	2.7
133.10114	3.7
135.08110	1.3
135.11679	25.6
136.12000	0.8
137.09746	0.6
139.11211	0.8
143.08525	0.7
145.10132	4.6
149.09590	0.9
149.13248	11.7
153.12704	0.8
159.11678	5.0
163.11191	3.9
177.12796	2.1
181.12207	3.9
195.13805	4.7
199.13341	1.3
205.32257	0.6
213.14912	0.8
255.15898	33.2
269.17453	26.7
270.17749	0.7
313.02219	0.6
449.28958	100.0
450.29349	5.3
603.44000	0.8
647.33691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01874	1.4
55.05511	8.9
57.03437	8.9
57.07068	1.4
59.04995	0.6
61.02918	2.0
65.03929	1.7
67.05501	33.8
68.05836	0.8
69.03413	1.0
69.07066	9.4
71.01336	1.8
71.04997	2.7
73.02914	1.3
78.26287	0.5
79.05487	26.1
81.03421	4.6
81.07052	33.4
82.07404	0.9
83.04980	6.1
83.08614	7.7
85.02902	2.4
85.06532	3.0
91.03990	0.6
91.05476	13.6
91.06058	0.9
92.05788	0.8
93.07039	34.7
94.07378	1.0
95.04977	5.4
95.08598	8.1
96.50516	0.5
97.02888	1.6
97.06515	7.5
97.10168	4.7
99.08094	1.7
103.05462	0.6
105.04514	1.1
105.07024	4.7
107.04968	1.3
107.08587	21.4
108.08932	0.7
109.06537	1.7
109.10181	3.4
111.04528	0.6
111.08070	3.0
117.07012	5.1
119.08567	4.1
121.06514	1.6
121.10128	7.0
123.08028	0.7
123.11694	1.4
125.06001	0.7
125.09629	1.4
131.08571	3.2
133.10124	6.5
135.08054	1.5
135.10635	1.1
135.11681	22.3
139.11192	0.7
143.08565	0.7
145.10144	4.8
147.11682	1.1
149.09657	0.8
149.13243	6.0
151.11151	0.8
153.12779	0.8
157.10181	0.7
159.11694	3.3
163.11162	3.2
164.96030	0.6
177.12773	1.9
181.12216	6.4
189.11198	0.9
193.12117	0.6
195.13809	4.8
199.13263	0.6
209.11758	0.6
211.13248	0.7
212.89737	0.5
213.14925	1.0
227.12642	0.7
229.14224	0.6
251.16327	1.0
255.15900	30.7
269.17447	16.4
275.19891	0.6
301.16486	0.6
362.35065	0.7
375.08383	0.5
418.20435	0.6
449.28961	100.0
450.29327	4.4
480.30856	0.7
481.30539	0.8
495.28931	0.7
647.35925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.01864	7.0
55.05501	30.6
57.03425	15.6
57.07070	8.3
59.04990	4.8
65.03945	4.8
67.05497	100.0
69.03442	4.0
69.07044	16.9
69.09023	18.7
69.60229	4.2
70.82183	4.5
71.04988	18.5
71.08659	4.6
75.04482	4.2
79.05489	49.7
81.03409	67.1
81.07043	69.8
82.50162	3.4
83.04982	10.2
83.08615	26.6
85.06527	8.6
87.04452	4.6
91.05470	54.4
93.07042	50.6
94.07355	3.4
95.04966	27.0
95.08591	36.9
97.06531	11.6
97.10159	13.1
98.22630	6.7
99.08097	5.8
105.04507	6.1
105.07019	35.9
107.04931	6.7
107.08607	31.5
109.06494	8.6
109.10144	50.1
111.08064	10.8
116.09579	3.4
117.07035	10.4
119.08563	21.2
121.10144	19.6
123.08072	7.4
125.09609	16.3
129.07028	12.0
131.08537	17.9
133.10138	16.1
135.08025	4.5
135.11705	14.0
137.09605	9.4
141.07005	3.7
141.68362	3.2
142.07793	3.7
143.08559	8.8
145.10121	12.5
147.11723	17.5
149.09624	8.4
149.13292	10.6
151.07388	3.5
151.11275	4.6
157.10110	13.3
159.11693	5.3
163.11212	7.4
165.09056	3.6
165.12714	4.4
170.48337	3.8
171.11668	5.3
173.11757	6.8
173.13182	6.0
175.11165	5.4
177.12711	5.4
185.13213	7.7
189.11230	7.0
193.12186	23.5
193.67360	3.3
211.13242	4.1
227.12764	10.2
229.14316	9.8
242.20715	3.7
267.15860	35.5
269.17404	8.4
275.20026	3.6
277.21616	4.0
286.01984	3.3
287.18533	7.7
369.24307	4.6
383.24326	10.5
421.25848	8.1
461.28946	12.5
493.31381	5.0
527.37366	10.4
545.38251	11.3
553.33392	13.5
577.40637	4.9
611.37915	7.8
646.40985	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	646.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01857	4.4
55.05506	35.1
57.03432	16.9
65.03924	2.7
67.05496	75.2
69.03404	6.9
69.07065	25.1
69.07710	13.9
71.04980	9.0
71.08622	11.3
77.03936	2.2
79.05485	56.0
81.03413	89.4
81.07049	73.9
81.07438	1.5
82.07375	2.7
83.04954	15.0
83.08614	28.2
85.02929	3.6
85.06529	7.0
87.90691	2.1
91.05476	45.8
93.07037	59.6
95.04958	37.3
95.08598	31.0
97.02872	3.0
97.06512	10.3
97.10136	15.5
99.08073	11.0
105.04519	5.3
105.07017	38.3
107.04938	10.5
107.08588	37.5
109.06498	9.4
109.10153	18.2
111.04436	4.2
111.08059	13.5
115.05426	3.1
117.06961	12.1
119.08556	30.4
121.06483	7.5
121.10130	22.8
123.08025	5.7
123.11659	4.8
125.09625	14.4
129.06984	18.0
130.07759	2.9
131.08557	23.0
133.06458	4.9
133.10107	22.4
135.08073	8.0
135.11688	13.2
137.09602	3.3
139.11179	2.9
142.07748	5.1
143.08542	7.2
143.40771	2.7
145.06433	2.7
145.10130	11.3
147.07973	3.7
147.11681	16.6
149.09589	8.7
149.13246	11.4
151.11153	13.2
155.08574	3.7
157.10124	17.8
159.11705	8.4
161.13211	6.1
163.11165	10.8
165.12712	5.5
171.11655	3.6
173.13171	3.1
175.11183	11.8
179.14285	5.5
185.13194	2.9
187.14845	2.9
189.11201	11.3
191.10565	3.3
193.12225	24.4
195.11697	2.7
195.13844	2.9
199.14807	3.9
209.13176	2.7
211.13264	6.3
217.15973	2.6
221.15450	3.5
227.12704	15.9
229.14410	4.0
245.13719	4.5
267.15894	91.3
269.17456	30.0
275.19998	2.8
277.21606	16.0
277.71906	2.3
293.21048	3.4
295.22729	2.5
351.25589	13.9
369.24057	6.6
387.25327	5.9
429.26108	2.7
437.24799	5.4
443.27756	10.9
447.27368	9.0
459.64551	2.8
461.28915	100.0
461.35519	5.2
461.49060	2.3
462.29233	9.7
469.33295	3.8
493.31439	14.3
543.36603	31.6
561.37506	8.8
593.40570	4.3
646.40210	16.1
647.38379	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	647.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33123	1.4
54.47532	1.2
56.60454	1.4
67.05499	1.5
69.28973	2.6
69.29379	6.6
70.73800	1.4
71.85676	1.5
98.97563	2.0
137.05916	2.1
151.38957	1.4
153.01790	2.3
171.97902	1.4
223.39058	1.4
289.29599	1.4
363.63580	1.7
372.08560	4.2
387.11194	7.9
390.09558	2.8
399.10779	2.4
405.12070	4.4
417.11929	1.7
561.16394	23.7
603.18195	31.0
604.18604	2.1
647.16797	100.0
647.33807	3.1
648.16846	7.3
665.75549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19091	0.7
54.15272	0.9
56.24119	0.7
56.41214	0.7
67.45374	0.8
69.31001	0.8
69.56808	2.7
70.59871	0.8
71.15876	0.7
96.50966	0.7
98.23516	0.9
153.01797	2.1
173.63345	1.0
185.04158	1.1
192.03947	2.6
193.04639	1.1
278.71722	1.0
315.10440	100.0
316.10995	1.6
355.09949	22.9
374.69724	0.8
477.22244	0.8
484.77335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
59.05006	0.6
67.05503	2.9
67.31300	0.5
69.07069	0.6
70.73323	0.4
71.04996	0.6
79.05492	1.2
81.03424	0.8
81.07055	1.8
81.27763	0.5
83.08620	0.6
85.06564	0.5
91.05470	1.5
93.07043	2.2
95.04961	1.2
95.08610	1.5
97.06551	0.8
98.23440	1.2
105.07010	1.8
107.08613	1.1
109.10173	1.5
117.06960	0.5
119.08545	1.1
121.10121	0.8
123.08051	0.6
131.08560	1.2
133.10139	0.7
133.15613	0.5
135.74734	0.5
143.08519	0.9
145.10144	0.9
159.11754	0.8
163.11151	0.7
243.08408	0.9
244.10056	0.5
263.16290	0.6
429.26065	1.5
485.29166	1.7
647.33917	100.0
648.34326	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	647.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
57.03436	0.4
58.75967	0.4
63.25451	0.4
67.05496	3.2
69.07068	1.0
69.31023	1.7
75.04461	0.6
79.05482	2.3
80.49050	0.4
81.02954	0.4
81.03410	1.5
81.07065	2.0
82.48198	0.4
83.04974	0.4
83.08604	0.9
86.73271	0.5
91.05466	2.5
93.07053	2.0
95.04968	1.3
95.08606	1.4
97.02871	0.5
97.06487	0.5
97.10178	0.9
105.04525	0.4
105.07032	2.0
107.04953	0.7
107.08569	1.1
109.10144	1.7
117.07025	0.6
119.08597	1.4
119.79990	0.4
121.10149	1.4
123.08016	0.9
126.56850	0.4
129.07036	0.4
131.08566	1.2
133.10156	1.4
134.10518	0.4
135.08069	0.4
135.11743	0.4
143.08502	0.5
145.10097	1.1
149.09601	0.4
151.07500	0.8
157.10074	0.8
163.11197	0.6
165.09135	0.5
173.09544	0.6
189.11311	0.5
193.12082	0.5
203.05229	0.6
221.15344	0.7
222.06549	0.4
227.12807	0.8
243.08456	0.7
267.15817	0.7
275.20258	0.5
311.20047	0.4
327.25861	0.4
429.26056	1.8
485.28314	2.1
544.36920	0.9
592.45294	0.5
612.69788	0.4
647.33923	100.0
648.34192	5.8
662.28522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84234	1.0
67.49854	1.0
71.43564	1.2
81.07046	1.5
85.02903	2.0
88.41242	1.2
91.05452	1.3
93.07037	2.2
95.08618	1.3
106.87795	1.1
107.08586	3.8
109.02876	1.7
109.10147	1.5
119.08583	2.7
131.08546	1.4
133.10097	2.6
137.05942	1.4
143.08585	2.2
147.39998	1.1
153.01782	5.6
159.04137	3.2
159.11676	1.6
173.13132	1.8
175.14706	1.7
199.14813	1.4
204.07556	3.5
217.15794	1.2
227.05087	1.2
243.04774	1.7
279.10583	1.0
366.12576	1.2
379.13531	1.5
393.11557	1.7
401.15427	3.4
407.13278	1.7
408.13812	3.4
429.15097	1.3
452.13052	5.8
487.21506	2.8
545.18884	1.5
563.20776	12.3
587.20819	1.9
601.18640	3.7
605.21991	72.9
606.22559	6.0
631.19910	3.1
649.20654	100.0
650.20740	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	649.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81016	0.5
52.11301	0.4
60.66853	0.5
70.74973	0.7
70.75323	0.7
88.56131	0.5
97.23099	0.5
98.08289	0.6
101.83884	0.5
105.45020	0.5
153.01782	1.6
179.70436	0.7
200.10580	0.6
202.05861	0.5
203.05200	1.2
204.07518	0.6
251.12573	0.6
259.07852	1.8
269.12338	0.7
289.05423	0.8
325.16241	1.6
347.09375	1.4
365.10434	3.3
421.13055	1.6
487.21506	21.7
488.21698	0.8
605.22021	6.3
606.22046	0.8
619.41290	0.6
622.22595	0.6
649.27081	100.0
650.27490	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	649.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08215	0.6
53.23126	0.6
54.48400	0.5
55.01866	0.7
55.05494	1.9
57.03429	1.9
59.32656	0.6
59.33278	0.6
65.03915	0.7
66.13614	0.5
67.05499	6.4
69.03421	1.1
69.07056	1.0
71.04988	1.0
71.42242	0.6
79.01614	0.9
79.05495	2.7
81.03408	2.0
81.07035	2.7
83.04958	1.0
83.08604	1.7
84.45725	0.5
85.02895	1.5
86.61222	0.5
91.05479	2.9
93.07029	3.1
95.04958	1.8
95.08601	2.6
97.06533	0.9
97.10184	0.6
100.38683	0.6
105.07021	2.9
107.08578	1.8
109.06499	1.1
109.10146	4.5
111.08095	0.7
117.07031	0.7
119.08567	2.6
121.10139	1.1
121.33288	0.6
123.08065	1.2
127.86211	0.6
131.08551	1.6
133.10155	1.9
139.03610	1.1
145.10115	1.7
147.11670	1.1
151.07533	0.8
155.08510	0.6
155.10695	0.7
157.10121	0.6
159.11673	0.7
161.09569	0.7
173.11710	1.5
173.13164	0.6
175.11131	0.6
189.12851	0.6
193.04851	0.6
193.12144	0.8
195.09920	4.8
195.11563	1.0
211.05844	0.7
223.13089	2.3
229.14372	1.8
251.12515	8.3
285.16794	0.6
307.15140	6.9
323.14554	1.8
337.16251	1.4
366.16461	2.0
379.17218	1.7
435.23618	0.9
450.26013	0.8
479.26120	100.0
480.26468	6.2
487.34021	1.1
505.27591	1.4
507.29190	2.0
535.28589	2.5
581.28778	0.9
631.39441	0.7
649.37323	8.4
649.50378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.0
51.02372	1.4
53.03944	7.5
55.01866	6.0
55.05504	23.5
55.05772	1.2
57.03429	13.3
57.07065	1.6
58.32251	0.7
59.04976	0.9
61.02917	1.6
65.03942	5.3
67.05497	65.1
69.03420	22.9
69.07059	16.9
70.06584	1.9
71.04988	6.3
71.41614	1.0
73.02930	0.8
73.06553	2.1
77.03519	0.9
77.03928	3.5
78.04701	0.8
79.05483	100.0
80.05836	1.4
80.28342	0.8
81.03410	36.8
81.07047	55.6
83.01326	1.2
83.04973	19.5
83.08613	8.3
85.02894	12.0
85.06537	4.3
88.07615	2.0
91.05470	88.4
93.07036	83.3
94.07376	1.0
95.04957	41.0
95.08597	34.7
95.09214	1.5
97.02874	11.0
97.06516	7.0
97.10146	5.0
99.04445	4.8
99.08086	1.9
101.02373	1.7
102.09158	0.9
103.03918	1.3
103.05466	3.2
105.03370	1.2
105.04514	6.9
105.07017	62.5
106.07375	1.1
107.04950	14.8
107.08590	25.6
109.02866	5.9
109.06501	10.4
109.10128	6.4
111.04415	2.4
111.08085	2.7
113.02345	1.0
115.05420	7.0
117.07009	26.8
118.07348	0.8
119.04878	1.7
119.08568	33.4
119.40607	0.8
121.06480	7.8
121.10127	9.3
123.04411	2.9
123.08050	8.7
125.09569	1.6
127.03913	5.1
127.07563	1.8
128.06212	9.6
129.05466	2.9
129.06987	36.0
130.07695	1.3
131.04918	3.5
131.08556	17.1
133.06467	8.5
133.10107	16.2
133.43297	0.8
135.04398	1.1
135.08058	3.7
135.11665	5.1
137.09557	2.8
139.07434	0.9
141.06956	6.3
141.09076	1.5
142.07751	3.1
143.08545	22.8
145.06473	7.8
145.10118	17.0
147.04416	1.8
147.08060	5.9
147.11668	42.9
148.11993	0.9
149.02315	1.3
149.05905	1.2
149.09654	1.9
149.13312	0.8
151.07507	1.4
153.06938	2.5
154.07796	1.0
155.08556	5.7
156.09290	1.1
157.06503	3.4
157.10081	4.5
158.07227	0.9
159.08026	5.5
159.11655	4.7
161.05948	1.9
161.09598	7.9
161.13246	17.5
163.07507	1.2
163.11188	3.3
165.06956	1.4
165.09111	1.2
167.08531	5.2
169.06473	1.1
169.10098	4.7
170.07314	0.9
171.08058	6.1
171.11673	35.1
173.04466	11.0
173.05943	1.7
173.09604	2.5
173.13245	2.5
175.07520	1.2
175.11212	1.5
177.12732	2.9
179.08722	0.9
179.14307	3.3
181.10152	3.5
183.08044	1.6
183.11703	2.8
184.12189	0.8
185.09624	3.2
185.13155	3.9
187.11211	2.9
187.14835	1.1
189.09149	1.1
189.11162	1.4
189.12738	17.1
191.14357	1.9
193.04997	2.0
195.08174	1.2
195.11665	2.9
197.13284	2.2
199.11154	0.8
199.14825	1.6
201.12704	1.9
203.14256	2.5
207.11816	1.9
207.13774	38.9
209.13286	2.3
213.12730	1.1
219.13670	1.6
221.15359	2.5
223.14813	4.0
225.12900	1.2
225.14795	4.5
227.14293	1.7
228.23254	3.0
231.13780	2.5
233.13240	2.3
233.15396	2.4
239.14224	1.4
241.15901	8.5
243.13751	1.6
245.15396	2.0
251.14157	4.0
256.26352	2.0
257.15317	1.9
259.16934	4.4
261.14929	1.3
263.16428	1.5
269.15338	11.5
279.15912	3.3
281.17444	57.0
282.17883	1.9
286.61646	0.8
287.16406	14.0
297.14594	0.9
305.17450	2.3
309.16782	1.4
315.15848	3.6
331.19022	1.4
333.17026	1.9
333.20444	1.6
343.18872	2.1
351.17969	3.0
361.19971	3.1
379.21054	1.2
389.19522	1.7
407.20493	2.1
425.21552	8.7
469.29251	1.5
471.09253	0.8
487.30441	41.7
488.30710	2.3
501.31946	2.5
529.31366	2.1
539.33832	2.7
549.32080	1.7
567.33038	6.1
585.33984	2.5
613.33301	0.9
631.34509	8.6
632.35394	1.2
649.37622	13.3
649.50928	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	649.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05521	3.2
57.03437	1.8
59.04997	1.2
61.02912	0.9
65.03937	0.7
67.05498	12.4
67.05823	1.2
69.03430	2.4
69.07062	2.2
71.04979	1.2
73.02873	0.7
79.05486	6.0
81.03395	4.4
81.07054	8.3
83.05000	2.0
83.08610	1.7
85.02905	1.1
85.06519	1.1
91.05466	7.2
91.30756	0.6
92.05820	0.8
93.07027	6.4
95.04973	2.8
95.08609	4.2
97.02893	1.2
97.06561	1.5
97.10194	2.0
104.44434	0.7
105.07030	6.1
107.04924	0.8
107.08575	4.6
109.06521	1.5
109.10133	5.4
111.04455	1.1
111.08096	1.1
117.07023	2.7
119.08582	3.3
121.06491	0.7
121.10161	3.0
123.08099	1.4
125.09676	1.6
127.03941	0.9
129.07043	1.9
131.08572	3.2
133.10068	3.2
135.11658	1.4
137.09622	0.8
142.07663	0.6
143.08582	1.1
145.10158	2.7
147.11714	2.1
149.09641	1.6
155.08542	1.2
157.10159	2.5
159.11687	2.4
161.13290	1.0
165.09285	0.8
169.10114	1.0
171.11664	1.4
172.36049	0.7
173.11787	1.0
173.13240	1.8
175.11212	0.9
183.11708	1.5
185.09656	0.7
185.13240	1.2
187.11194	0.8
189.11249	0.9
193.12369	0.8
197.13237	1.0
199.14873	1.0
207.13892	0.8
229.14453	2.0
241.80565	0.8
245.13867	0.8
251.12509	0.8
267.15939	0.8
275.19885	0.7
283.15073	6.0
307.15491	0.7
315.94034	0.6
333.20450	5.0
333.24182	1.2
339.17633	3.5
389.23059	4.1
479.26236	1.3
487.34058	5.1
505.35635	0.8
563.28394	0.8
595.36584	1.6
613.37073	1.9
617.24158	2.0
631.38580	1.9
649.26428	13.2
649.39142	100.0
650.26660	1.5
650.39575	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	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82056	0.1
53.30013	0.1
56.05030	0.8
57.07064	0.2
58.06357	0.2
58.06620	0.4
59.07391	0.2
60.08162	5.7
64.18104	0.1
67.05490	0.6
69.15404	0.7
69.15804	0.2
71.07365	2.7
74.10852	0.2
86.09701	26.9
87.10028	0.2
98.98461	3.0
104.10745	2.1
105.34796	0.1
109.10165	0.4
124.99996	19.1
180.87521	0.2
184.07329	100.0
185.07643	0.9
290.53201	0.2
376.55777	0.2
442.54861	0.2
467.37711	0.2
496.96484	0.2
586.73309	0.1
650.02966	0.1
650.43823	6.1
651.43695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30499	0.6
69.15417	0.6
69.75772	1.1
69.76151	2.2
72.70730	0.7
76.37101	0.7
76.74542	0.7
189.05180	1.1
395.11197	1.6
410.13510	3.6
425.12082	1.2
440.14410	3.6
477.34952	0.7
598.85895	0.7
608.78870	0.7
651.24017	100.0
652.24536	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	651.2808
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.09482	4.9
52.64606	5.5
53.16012	6.1
66.52259	5.6
69.51525	6.2
69.52873	20.9
73.88712	6.3
95.08602	8.5
117.18030	6.1
179.71851	6.7
190.97972	5.8
266.75040	6.0
415.19073	8.0
429.20761	13.5
471.21741	9.2
473.20010	7.2
485.18994	6.5
499.21182	14.0
528.88525	7.0
531.23584	13.9
549.24536	8.5
559.23297	100.0
587.23035	14.8
619.25476	96.0
651.27997	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	651.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
57.03427	2.0
61.02918	3.2
64.98409	0.5
67.05506	5.0
69.03423	4.1
69.07043	2.7
69.87479	1.6
70.77393	0.6
70.79774	0.5
71.01321	0.8
71.04990	0.7
73.02911	2.8
79.05480	4.5
81.03411	2.4
81.07052	6.3
83.04978	1.1
83.08627	1.3
85.02905	5.4
91.03944	2.1
91.05472	2.8
93.07042	5.2
95.04951	1.2
95.08602	1.9
97.02879	4.6
97.06536	1.5
97.10148	0.8
99.04469	1.2
101.02367	2.1
105.07037	1.4
107.04955	0.6
107.08601	4.2
109.10135	1.2
111.08099	1.1
117.07052	0.9
119.08588	1.4
121.10149	1.0
123.08055	0.8
123.11684	0.6
127.03939	1.1
129.06950	0.8
133.10127	2.0
135.11671	3.7
145.10117	1.4
147.11711	1.0
148.59752	0.5
159.11641	1.0
163.11191	0.9
181.12183	0.6
243.08409	1.9
269.17441	0.6
283.24295	0.6
285.09863	0.9
291.15726	0.6
348.53479	0.7
439.19345	6.8
453.20917	6.5
454.20935	0.7
489.28384	0.9
516.37024	0.5
651.33270	100.0
652.33777	8.2
661.20502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3346
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
53.03943	0.4
54.86393	0.3
55.01873	0.3
55.05500	1.1
57.03419	1.2
61.02916	3.1
62.86882	0.3
63.87801	0.3
66.78036	0.3
67.05503	4.1
69.03426	2.2
69.07062	1.1
71.01354	0.7
71.04993	0.6
71.86179	0.3
73.02906	2.5
79.05492	3.5
81.03402	1.5
81.07050	4.1
83.04971	0.8
83.08619	1.1
85.02902	3.2
87.04427	0.4
91.03934	1.9
91.05476	1.5
93.07032	5.0
94.81838	0.3
95.04946	0.9
95.08601	0.9
97.02888	2.5
97.06507	1.1
97.10150	0.6
99.04421	0.7
101.02334	1.3
103.03921	0.4
105.07033	0.9
107.04923	0.5
107.08579	3.0
109.02873	0.4
109.10164	0.6
111.08083	0.5
117.07021	0.5
119.08566	0.5
121.10118	1.6
125.09573	0.4
127.03889	1.0
131.08583	0.5
133.10091	0.6
135.07922	0.3
135.11670	3.8
145.04930	0.3
145.10118	0.6
149.13240	1.6
159.11673	0.5
181.12234	0.4
187.51917	0.3
200.77077	0.2
221.11490	0.8
235.13106	0.9
243.08385	1.3
264.42563	0.3
269.17429	0.3
439.19388	6.9
440.19922	0.6
453.20920	7.1
454.21552	0.4
489.28271	0.4
651.33374	100.0
652.33777	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	651.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
55.25300	0.8
56.58125	0.8
60.24502	0.6
62.37306	0.7
65.03915	1.6
67.05479	1.9
69.07056	1.0
70.12188	1.9
76.51498	0.6
79.05471	1.9
81.07049	5.3
81.27703	0.7
83.04970	1.3
83.08622	1.2
91.05475	14.5
93.07021	4.3
95.08588	6.6
97.06588	0.7
99.08102	1.1
105.07020	6.1
105.09688	0.7
107.08588	8.0
109.06518	1.6
109.10149	3.2
113.38189	0.7
119.04932	23.6
119.08569	10.6
121.10135	7.9
123.11696	1.8
125.09627	1.4
131.08563	5.3
133.10097	7.2
135.11661	2.4
143.08531	3.7
145.10130	6.9
147.04395	100.0
147.11681	3.7
148.04745	1.9
149.13263	2.2
151.07571	0.8
157.10133	3.9
159.11696	6.9
161.09650	0.9
161.13216	4.2
163.14853	1.2
165.05447	1.1
171.11676	2.7
173.13249	4.1
175.14803	4.2
177.16318	1.3
183.11679	2.2
185.13214	5.2
187.14809	8.8
189.16397	2.3
191.14268	2.2
197.13297	1.3
199.14807	5.7
201.16339	7.1
203.14314	3.5
205.15858	3.1
211.14873	1.7
213.16347	5.1
215.18011	1.4
217.15892	1.0
219.17441	3.0
223.14809	0.9
225.16234	1.1
227.17807	1.1
231.17505	2.3
233.15445	1.5
237.16368	0.8
239.17772	0.9
245.15442	1.7
249.14851	2.4
253.19498	1.0
259.16898	1.2
267.21024	1.2
284.20078	0.9
331.24155	0.7
340.69958	0.8
341.88330	0.7
376.43719	0.7
387.30298	1.2
393.31702	0.9
405.31509	11.7
406.31558	0.8
407.32919	4.5
423.32657	4.6
433.31021	3.9
451.32095	6.3
469.33060	6.0
487.34070	2.0
651.33728	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4097
Annotation	28-Glucosyl tormentate
Peak:m/z	Relative Intensity
55.05503	23.2
60.47388	4.4
61.73747	4.8
66.59003	4.3
67.05508	29.3
69.03428	11.5
69.07072	14.0
71.05000	6.0
77.54505	4.2
79.05495	24.3
80.14380	4.3
81.03413	12.7
81.07049	48.0
83.04998	7.1
83.08596	10.8
85.02908	16.8
85.06554	5.5
91.05458	35.8
93.07035	74.0
93.68976	4.4
95.04983	10.5
95.08597	81.0
97.06550	5.3
97.10229	7.7
104.64391	4.5
105.07012	60.6
107.04941	6.6
107.08585	100.0
109.02907	5.4
109.06529	8.8
109.10152	58.4
111.08083	21.2
117.06985	7.8
119.08565	85.5
121.10148	42.9
122.09663	20.8
123.08035	6.6
123.11697	12.7
125.09620	76.9
129.06966	6.9
131.08548	32.9
133.10130	58.0
135.08023	4.8
135.11668	31.9
137.09659	7.9
143.08554	9.2
144.09470	4.3
145.10097	58.2
147.11653	28.3
149.13283	13.7
150.09122	7.9
151.11189	6.3
153.09013	4.8
157.10158	17.1
159.11697	54.9
161.09669	5.0
161.13242	21.9
163.11186	6.9
163.14862	12.9
165.09100	4.9
171.11697	20.1
173.13249	39.9
175.11162	5.9
175.14804	35.8
177.16422	15.8
179.45992	5.9
183.11693	7.5
185.13281	6.2
187.14812	68.5
189.16364	58.9
191.14279	8.2
191.17950	17.1
193.15942	9.2
199.14807	23.0
201.16356	78.4
203.17958	15.0
205.15884	25.2
205.19537	6.4
206.16277	7.5
207.17505	7.9
213.16359	42.2
215.17955	42.3
217.15878	8.6
219.17464	36.1
227.17926	10.6
229.14091	5.1
233.19028	10.8
235.16936	19.0
239.17935	4.9
241.19550	8.8
243.20975	5.4
247.16891	39.8
251.10310	14.6
255.21228	5.6
259.58035	5.5
261.18484	22.4
267.48264	4.9
341.24747	8.7
389.31955	17.7
407.33057	96.6
423.32745	12.5
430.16037	7.6
435.32584	56.9
437.25366	6.9
453.33591	85.0
454.19672	11.5
454.33615	8.8
455.26428	4.7
570.47327	5.4
587.24585	8.9
651.36755	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	652.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
57.03431	0.5
57.63268	0.2
60.81617	0.2
61.15303	0.2
69.03059	0.4
69.03417	4.8
70.12352	0.2
70.85463	0.2
70.91830	0.3
70.97632	0.2
71.04985	0.3
73.02905	0.6
79.01849	0.4
81.03399	0.9
85.02892	1.7
89.03852	0.2
92.73064	0.2
97.02876	0.8
99.04446	0.7
103.05450	0.6
109.02873	0.3
124.77276	0.2
125.60876	0.2
127.03894	1.7
131.04901	0.7
139.03873	0.6
143.03329	0.3
147.04396	1.0
153.01823	5.3
153.02963	0.4
157.02841	0.7
171.02908	0.3
175.03845	1.4
185.02359	0.8
187.03865	3.4
201.01772	0.3
203.03357	2.4
213.01819	2.4
215.03391	2.9
231.02850	15.6
232.03271	0.3
241.01273	2.4
247.02374	0.5
257.00699	0.4
259.02350	25.4
260.02753	0.8
275.01834	0.6
277.03391	100.0
278.03720	2.7
289.03235	0.3
303.01315	9.1
315.01239	0.3
321.02353	1.7
341.03122	0.3
341.07025	0.2
387.03424	0.6
465.06448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02375	0.7
53.03937	0.9
55.01860	0.8
57.03450	0.5
62.13830	0.5
67.64381	0.4
68.30910	0.4
69.03422	4.4
70.69349	0.8
79.01839	4.7
81.03410	4.4
84.15904	0.5
85.02898	2.5
90.52268	0.5
97.02888	3.8
98.23149	1.0
99.04426	0.9
107.01329	1.1
109.02878	3.3
125.02348	3.2
126.90379	0.4
127.03910	5.4
131.04897	1.0
143.03395	5.5
153.01814	87.6
153.02899	5.1
154.02168	1.1
157.02858	1.0
165.34825	0.5
171.02846	3.4
175.03883	2.1
185.02290	1.1
187.03894	4.2
203.03452	2.7
213.01862	3.0
213.05525	0.5
215.03336	3.7
223.03729	0.5
231.02852	18.3
232.03171	0.7
239.03288	0.7
241.01227	2.7
241.04912	0.8
247.02373	1.0
257.00806	1.2
259.02368	29.1
260.02832	1.2
261.03806	0.7
268.03592	0.6
269.04407	2.0
275.01755	2.3
276.02573	0.8
277.03406	100.0
278.03714	4.0
279.05115	0.9
285.03745	0.9
289.03378	5.2
297.03421	1.0
297.06580	2.4
303.01324	17.1
304.01480	0.7
313.03445	2.7
315.01419	8.8
315.04623	0.8
315.07327	1.2
321.02362	2.2
323.01797	1.0
341.02899	3.3
343.00708	0.6
343.04404	1.6
359.04001	0.7
367.04254	0.9
369.02243	0.8
385.05380	2.0
387.03455	18.2
388.03741	0.9
399.03369	0.7
405.04510	1.0
411.03378	2.9
429.04437	1.6
447.05518	3.2
465.06497	1.4
521.86646	0.5
617.07648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
53.03934	0.4
59.85270	0.3
60.47315	0.4
69.03414	1.6
70.05495	0.3
71.41063	0.5
73.02914	0.5
79.01849	2.6
81.03417	2.8
85.02901	1.1
97.02902	2.7
98.22868	0.4
99.04426	0.7
107.01293	0.7
107.41288	0.3
109.02879	2.4
120.68262	0.4
125.02339	2.1
127.03885	3.1
129.03345	0.5
131.04909	0.5
139.03874	0.6
143.03377	3.2
145.04924	0.5
147.04337	0.5
153.01814	41.4
153.02885	2.2
154.02153	0.4
157.02774	0.7
159.04448	0.4
171.02829	2.0
175.03864	1.5
185.02252	0.6
187.03870	3.9
201.01883	0.6
203.03358	2.5
213.01857	2.8
215.03365	3.7
229.01349	0.4
231.02859	16.6
232.03209	1.0
241.01312	3.0
247.02304	0.9
257.00882	0.5
259.02353	28.8
260.02722	0.7
275.01889	0.8
276.02545	1.0
277.03400	100.0
278.03705	3.0
283.06024	0.4
285.00171	0.5
289.03461	0.5
297.06107	0.9
303.01306	11.1
315.07135	1.2
321.02325	3.1
345.02457	0.7
387.03116	0.6
429.04404	0.8
447.05548	2.0
465.06268	0.7
497.56345	0.4
605.96460	0.4
617.07581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01872	10.1
55.05260	1.2
55.05507	20.5
57.03433	20.3
57.07069	3.0
59.04996	4.4
61.02929	7.0
65.03934	2.0
67.05498	100.0
68.05801	1.1
69.03417	6.1
69.07056	7.3
69.58319	0.9
71.04988	3.6
73.02921	5.2
79.05487	18.7
81.03406	12.4
81.07047	23.4
82.04191	3.8
83.04975	8.8
83.08605	11.4
85.02905	6.9
85.06545	5.0
87.04457	1.6
91.03956	2.3
91.05482	16.2
93.07030	11.8
94.45459	0.9
95.04945	11.1
95.08611	10.6
96.05704	1.4
96.79728	1.2
97.02889	5.6
97.06520	6.5
97.10151	8.1
98.07315	5.2
99.04459	1.8
99.08095	1.2
105.07015	5.6
107.04926	4.8
107.08581	10.4
109.06521	2.2
109.10146	95.8
110.10504	1.8
111.04425	2.0
111.08073	7.0
116.04698	11.1
117.06995	3.3
119.08569	9.6
121.06505	1.9
121.10159	2.7
121.96519	1.0
123.08036	3.2
125.09613	10.6
127.11195	2.8
129.05473	23.3
129.06990	2.2
131.08583	3.7
133.10118	4.0
135.08025	2.0
135.11684	2.8
136.78914	0.9
137.09624	6.6
143.07022	4.4
143.10666	1.4
145.04961	1.6
145.10123	3.2
147.11691	3.5
149.09584	1.3
153.12683	2.0
155.10655	7.1
157.08585	11.1
157.09952	2.0
158.05746	1.3
163.11209	5.0
171.06575	2.4
171.10141	3.8
173.11723	31.4
175.11177	3.0
181.12167	1.4
185.08023	1.3
189.11211	5.9
193.12184	2.0
199.09637	3.2
199.13274	9.1
200.14120	1.0
209.11754	3.8
210.12462	1.4
211.13351	1.5
211.16344	0.9
227.12755	7.2
229.14323	83.9
230.14796	2.0
241.35110	1.1
255.15976	3.1
267.15887	5.5
283.15402	13.5
283.18777	2.3
284.16165	1.1
297.17142	1.2
301.16446	48.0
311.18265	1.8
326.24393	1.8
353.23209	2.8
371.24033	5.8
383.24301	9.3
384.24911	1.1
421.25623	5.5
437.25598	7.2
438.26019	6.2
455.26324	57.3
456.26663	2.1
653.31451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01876	5.6
55.05504	40.5
57.03431	14.7
59.05001	1.7
61.02925	3.4
65.03951	2.5
65.70729	1.2
67.05498	32.8
69.03417	7.7
69.07062	9.9
69.33793	3.7
69.34205	2.7
70.09884	1.1
71.04988	3.9
73.02901	2.2
79.05485	27.3
81.03412	49.7
81.07046	27.4
81.07499	1.9
81.76466	1.2
83.04971	15.2
83.08612	36.5
84.08958	1.5
85.02892	16.9
85.06533	4.2
91.03953	1.6
91.05473	23.4
93.07025	18.0
95.04964	20.2
95.08602	8.9
97.02882	6.1
97.06517	3.2
97.10160	55.2
99.08100	1.8
103.48820	1.1
105.07030	14.0
107.04945	4.9
107.08591	16.3
109.06514	1.7
109.10155	10.1
111.04432	1.8
111.08050	9.3
113.05978	1.4
115.05410	1.5
117.07023	2.5
118.43517	1.1
119.08550	14.6
121.06487	1.8
121.10162	7.1
122.09659	4.9
123.08057	1.4
123.10078	1.2
123.11690	1.4
125.09620	50.4
129.06976	6.8
131.08548	9.1
133.06476	1.8
133.10132	8.7
135.08072	5.2
135.11673	2.1
137.05913	2.0
137.09613	2.3
142.07721	1.7
143.10678	2.0
145.10133	3.4
147.07985	2.8
147.11687	12.3
149.09607	5.6
153.09091	3.9
157.10120	10.0
163.11194	3.5
165.12732	2.5
171.10120	4.1
173.11752	2.7
175.11151	9.1
181.12213	1.2
186.46938	1.3
189.11205	37.5
193.12219	34.5
207.09924	1.2
211.11166	1.7
211.11786	0.8
211.13266	57.3
227.12752	77.6
229.14352	5.9
245.13821	62.5
251.10541	1.2
262.09241	1.2
267.15842	16.4
283.15454	2.9
285.16956	34.4
285.19965	2.3
301.16275	1.3
419.24304	6.0
437.25305	24.3
455.26343	100.0
456.26572	4.7
547.38525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76163	8.5
68.85965	8.5
70.06565	9.8
71.42418	11.8
71.86987	9.1
72.48733	9.1
74.36612	8.8
79.05522	9.9
81.07066	15.9
87.25074	10.0
91.05463	10.3
91.92612	9.1
95.08627	8.2
118.14381	8.6
121.06485	11.4
122.09598	14.9
125.95827	10.3
131.04919	9.1
137.05956	18.1
141.04875	9.3
153.01804	24.5
167.07062	11.4
168.58698	9.6
205.04756	13.5
207.07266	10.8
209.07985	10.0
224.29620	9.0
253.70186	9.2
277.08115	14.0
437.30588	12.0
442.08102	9.2
483.16092	23.6
621.18524	12.3
652.35645	12.2
653.20117	100.0
653.31427	98.6
654.21112	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	653.2968
Annotation	Haplophytine
Peak:m/z	Relative Intensity
52.80244	0.6
67.05492	2.8
69.07080	1.0
79.05496	2.2
81.07076	0.9
83.08629	0.8
90.26208	0.8
91.05475	1.9
93.07030	1.8
95.04995	1.2
95.08583	1.4
105.07022	1.5
107.04934	1.1
107.08591	1.1
117.07008	0.8
119.08573	0.9
147.82622	0.7
159.11652	0.6
173.92232	0.6
221.27800	0.6
273.18506	0.9
289.17975	0.9
291.19565	1.7
299.78299	0.8
308.35373	0.7
326.07065	0.7
374.15158	0.8
377.17661	2.2
379.19299	1.0
391.19305	3.4
392.20151	1.3
393.20654	1.6
404.20422	0.9
405.17157	3.6
405.21509	1.5
406.21835	0.8
407.17599	1.1
407.22330	6.4
418.17197	1.1
419.18369	4.8
420.19046	3.4
421.20093	3.3
433.16122	2.7
433.21274	4.4
434.20963	5.5
435.21838	10.8
447.17255	5.2
448.19037	2.2
449.19830	4.5
461.19870	2.9
462.20404	9.1
463.21207	5.1
473.19290	0.9
475.21133	4.2
479.20703	1.4
489.22934	2.4
506.82822	0.8
521.25519	12.9
534.22632	0.8
549.24927	50.9
550.25208	1.7
577.24377	1.0
581.27789	4.0
609.26984	48.9
610.27753	2.1
653.29608	100.0
654.30121	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.0
55.01865	10.4
55.05515	32.5
57.03436	21.4
61.02888	2.1
65.03950	4.4
65.27433	2.1
67.05505	75.2
67.07080	1.9
69.03428	27.3
69.07066	17.5
69.21052	12.4
71.04985	9.5
73.02910	3.4
73.06513	2.1
76.86402	1.9
79.05492	91.5
81.03416	100.0
81.07056	68.8
83.04980	33.7
83.08621	19.8
85.02898	28.1
85.06517	2.7
91.05479	91.6
93.07039	78.6
95.04966	49.7
95.08599	31.7
97.02883	14.4
97.06512	10.6
97.10152	8.0
98.22632	2.4
99.04459	6.2
103.05492	3.7
105.04523	6.4
105.07025	62.0
107.04957	18.2
107.08581	24.3
109.02892	7.7
109.06522	10.0
109.10156	11.2
111.04452	7.5
111.08088	11.0
113.06038	2.8
115.05453	6.6
117.07027	18.5
118.51856	2.0
119.04929	2.5
119.08579	40.1
121.05706	2.0
121.06509	7.8
121.10141	14.9
123.08090	8.2
123.11745	2.3
125.09590	4.0
127.03915	9.1
127.07584	2.8
128.06218	6.9
129.05486	4.3
129.07002	32.7
131.08554	20.7
133.06467	8.5
133.10136	23.2
135.08090	2.9
135.11679	2.8
137.09663	4.0
141.07021	5.7
142.07777	4.7
143.08545	17.0
145.06476	5.0
145.10156	16.9
147.08093	10.7
147.11681	48.7
149.09604	6.6
151.11110	2.4
155.08502	4.8
157.06500	3.2
157.10114	16.0
159.08089	3.6
159.11725	4.7
160.54630	2.4
161.09637	6.5
161.13220	10.4
163.11165	3.2
167.08629	2.4
169.10081	2.3
171.08032	2.6
171.11696	24.6
173.04417	3.0
175.11159	14.3
179.14288	2.5
181.12308	2.5
185.09651	2.9
189.12708	10.6
193.12250	36.6
207.13797	30.8
211.11485	1.8
211.13295	42.3
223.14740	2.8
225.98633	2.1
226.58914	2.4
226.61359	2.0
241.15854	3.7
249.14922	3.3
251.14240	2.6
259.17105	3.7
267.15891	30.5
269.15469	6.5
281.17462	71.8
285.16962	22.5
287.16412	8.3
328.62570	2.2
355.17267	2.8
381.24594	2.3
397.25781	2.6
425.21579	7.1
429.21213	9.7
440.92923	2.6
473.28955	53.1
474.29321	3.0
491.29996	29.1
504.39755	2.3
553.31738	2.8
635.34235	21.9
653.31482	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	654.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99588	1.7
52.76768	1.4
53.03948	7.9
55.01877	6.9
55.50415	1.6
57.03441	3.8
61.02917	3.1
67.05507	2.0
68.99805	3.1
69.03424	24.4
69.36231	6.3
69.36635	2.7
71.04987	3.0
73.02917	7.2
79.05490	4.7
81.03418	27.9
81.07061	4.5
83.01344	1.8
83.04947	1.7
85.02900	54.8
87.00821	21.6
91.03947	3.2
91.05482	4.2
93.07048	3.3
95.04963	2.8
95.08601	3.1
97.02885	28.5
98.23349	6.0
99.04428	9.3
105.01864	13.2
105.07050	4.0
107.04953	8.6
108.04474	3.1
109.02873	26.9
109.10159	8.2
115.05473	8.4
117.01868	2.9
117.07009	13.1
119.08561	2.6
122.03609	4.5
123.04370	2.9
125.05984	3.0
127.03909	44.4
128.06264	3.5
129.01859	3.9
129.06987	6.7
131.04939	3.5
131.08565	4.1
131.94475	2.3
137.05971	88.3
138.06267	2.1
143.04956	8.0
144.05724	3.2
145.04976	18.0
145.06488	29.3
147.02870	2.8
147.08047	2.4
151.03902	3.3
153.01816	19.6
153.05380	2.7
154.02122	3.1
155.06024	2.5
156.05672	5.1
157.06503	5.6
159.02899	14.3
159.08095	6.2
160.05180	13.5
161.05925	5.2
163.07578	4.0
167.07011	39.3
167.08311	3.3
173.05984	49.4
174.06598	3.2
175.07535	100.0
176.07921	2.3
177.05406	3.9
187.07518	43.2
189.09116	7.1
190.06255	21.2
191.06960	2.5
195.02882	2.7
202.06171	4.0
203.07048	7.6
205.08575	92.0
217.08578	45.5
219.10025	4.4
231.05000	7.4
233.09634	4.0
235.07361	4.1
235.09615	51.4
239.07056	2.4
241.08607	4.4
247.07384	2.8
247.09631	11.7
249.09044	4.8
251.01102	1.9
258.47742	2.1
261.09161	5.6
262.09732	2.1
263.06918	2.2
265.10703	33.2
269.07983	2.7
277.08508	3.5
278.09219	3.1
281.11792	2.7
285.07687	9.0
289.08524	2.5
293.11670	7.0
300.09918	16.3
301.10742	5.8
307.09909	2.9
309.11139	5.4
313.10617	3.0
321.11246	9.0
322.11960	2.3
341.13913	11.2
353.13773	18.4
355.15491	2.6
371.14847	43.6
523.28192	1.8
645.59540	2.2
654.25818	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03927	0.6
55.05504	0.6
58.31158	0.4
67.05487	1.2
69.03429	0.8
79.01854	3.5
79.05488	2.8
81.03402	1.9
81.07049	0.8
91.05467	3.8
93.07035	14.1
95.04950	1.2
97.02881	5.1
105.04465	0.7
105.07014	1.8
107.01305	1.6
107.08584	16.4
109.02872	2.2
109.06523	0.5
111.89851	0.6
125.02330	2.6
127.03893	4.2
133.10121	0.9
135.11673	8.5
143.03377	4.6
153.01811	100.0
153.02867	4.5
154.02180	2.0
171.02864	7.8
241.36177	0.6
261.04044	0.7
279.05029	1.1
297.06027	6.0
371.58447	0.6
428.91922	0.7
467.08218	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	654.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27765	1.2
55.01863	3.2
55.05505	10.6
57.03430	14.2
59.04996	4.3
61.02914	2.8
65.03932	2.3
67.05497	79.3
69.03416	5.8
69.06739	1.2
69.07064	6.6
71.04983	4.3
79.05487	12.9
81.03410	64.4
81.07054	20.3
83.04990	2.1
83.08622	14.8
85.02904	4.8
85.06538	3.5
86.09711	2.5
86.82678	1.1
88.44952	1.2
91.05466	15.3
93.07042	9.5
95.04958	19.8
95.08598	9.7
97.02887	4.2
97.06519	2.8
97.10172	2.0
99.71414	1.3
105.07015	8.9
107.04953	5.9
107.08578	8.8
109.02873	1.7
109.06528	2.7
109.10144	70.4
110.10454	1.9
111.04443	3.5
111.08083	7.8
115.05495	1.5
117.07027	2.8
119.04922	1.4
119.08578	15.5
121.06487	2.7
121.10126	5.8
122.09682	4.7
123.04459	2.3
123.08052	1.7
123.10003	1.6
125.09663	1.6
127.03887	3.2
129.05484	1.4
129.07045	6.2
131.08554	7.1
131.18311	1.1
133.06468	2.9
133.10136	5.4
135.08066	1.2
135.11670	2.5
137.05907	1.5
137.09651	6.2
141.88884	1.2
145.10133	2.8
147.04433	1.4
147.08051	3.1
147.11684	6.8
149.09599	4.9
153.01808	5.1
153.12680	2.1
155.10643	3.4
157.10104	9.2
159.11694	1.6
163.11198	3.3
165.12764	2.3
173.09575	1.5
173.11725	20.9
175.11166	8.4
175.14796	2.4
184.07321	5.6
187.11227	1.3
193.12212	21.7
205.08395	1.4
211.13248	3.4
229.14322	100.0
230.14665	3.5
247.13266	1.6
249.14748	2.9
267.15891	90.1
268.16391	1.9
302.00806	1.4
329.21088	3.9
347.21915	1.4
403.24567	11.8
421.25797	93.8
422.25916	6.0
439.27026	1.9
470.28717	1.4
475.26291	1.5
493.28549	1.5
622.59888	1.4
654.31726	2.9
655.32025	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2759
Annotation	Karajinone A
Peak:m/z	Relative Intensity
52.03816	1.1
55.05499	2.2
57.07059	2.8
62.69005	1.2
69.19132	5.8
69.49587	1.2
79.05505	1.5
83.04975	10.3
91.05460	1.8
93.07061	2.0
95.42583	1.3
98.22890	5.5
111.15173	1.4
128.06177	1.3
129.07060	1.3
141.06810	1.2
147.11638	1.8
162.47897	1.2
175.01573	3.1
181.02585	8.6
187.78706	1.2
207.13861	1.3
221.10828	1.5
222.11476	2.1
223.12149	1.6
224.13040	1.6
225.13809	2.3
227.04680	2.8
235.12326	1.5
236.13008	3.5
237.13818	5.3
238.14668	3.6
239.15590	2.9
249.13873	1.4
251.15379	3.3
252.16156	2.4
253.16954	2.3
261.13861	7.8
262.14636	1.7
279.14841	1.7
280.15771	1.4
313.12018	6.6
352.16882	1.1
353.17938	1.5
366.18997	2.1
367.19189	2.3
369.18265	2.0
377.17688	2.2
379.19275	2.1
381.16827	1.5
391.14774	1.7
391.19440	1.8
393.21234	1.4
395.18405	1.7
405.16449	2.3
407.18622	2.8
409.20438	1.7
410.20822	1.5
419.18695	2.0
421.20090	2.6
422.21243	2.8
424.18573	1.3
426.21387	1.3
435.18030	2.7
437.19525	3.0
438.20013	2.4
439.21634	2.6
448.19028	2.8
449.19574	3.6
450.20779	1.9
454.23486	2.1
465.18881	6.0
469.25717	2.8
476.18304	2.7
477.19043	1.8
479.24686	2.4
481.22049	1.9
482.22797	2.9
483.19580	2.3
497.25342	5.0
507.23608	3.8
508.20969	3.7
510.22977	1.9
514.25476	4.5
525.24854	6.2
529.27899	4.1
535.23340	4.4
539.26904	2.1
542.25513	2.6
543.18738	5.3
553.24054	3.9
557.27313	1.9
557.38538	3.7
563.22498	3.5
565.28064	1.9
567.25525	4.1
569.27454	2.7
581.23840	6.4
585.26978	20.5
595.25409	100.0
596.25800	6.6
599.25165	11.6
613.26459	96.8
614.26337	5.4
655.28961	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	655.276
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
50.99401	0.5
51.46630	0.5
53.03952	0.8
55.01868	1.4
55.05509	2.5
57.03429	1.1
67.05503	5.9
69.07065	2.3
71.08642	1.0
76.27361	0.5
76.78598	0.5
79.05487	4.3
81.03417	1.8
81.07051	5.7
83.04986	1.2
83.08620	1.6
85.06548	0.8
85.12802	0.4
87.02696	0.5
89.24706	0.5
91.05482	5.9
93.07033	5.2
95.04944	3.0
95.08611	3.6
97.06528	1.1
97.10166	1.0
105.07027	4.4
107.04964	1.7
107.08575	3.5
109.06513	1.9
109.10183	1.2
111.08116	0.6
114.37058	0.5
117.07004	1.5
119.08559	3.1
121.10168	1.6
123.08070	0.6
129.07001	0.9
131.08588	2.0
133.10150	1.8
135.08096	1.2
135.11731	1.1
138.75679	0.5
143.08580	1.0
145.10080	1.3
147.08032	1.3
149.09641	1.5
151.11128	1.1
151.52541	0.5
155.08563	0.6
157.10176	1.0
159.08044	0.6
159.11676	1.1
161.09641	0.8
161.13306	0.7
163.07681	0.7
163.11134	0.8
169.10098	0.6
177.12796	0.7
179.14372	1.8
183.11700	0.5
187.14851	0.5
196.01160	0.5
249.10300	0.6
273.18546	1.2
275.20032	2.8
277.21692	0.9
289.17963	1.1
291.19547	2.8
314.13043	0.6
328.14063	0.9
349.24094	0.7
368.13477	0.6
376.16943	0.8
377.17618	1.1
378.18127	0.8
390.18488	1.3
391.19220	2.2
392.20105	1.4
393.20816	1.5
404.15924	1.2
404.20508	0.9
405.16345	3.1
405.21381	1.4
406.17410	0.9
406.22089	1.1
407.22507	5.1
418.17987	1.5
419.18231	5.9
420.18790	2.5
421.20291	1.9
431.18613	0.9
432.19754	0.8
433.20441	11.9
434.21100	6.4
435.21832	8.2
435.27274	0.7
445.20294	0.8
447.17889	2.2
447.22369	1.6
448.18372	0.9
449.19757	2.2
461.19916	2.0
462.20309	2.9
463.21472	3.7
465.19199	1.4
475.21521	1.7
476.22217	0.8
479.21039	1.8
489.23157	1.0
490.20032	1.6
491.21014	2.2
493.22363	2.2
503.20792	0.7
505.22427	0.8
506.23026	0.8
507.19629	0.5
507.24258	0.9
517.22803	1.3
520.24451	2.2
521.25690	11.2
537.21606	0.7
543.36658	3.9
548.24146	1.0
549.24969	15.8
550.25616	0.7
557.34753	0.8
565.24261	1.8
577.24457	9.9
579.21954	0.8
580.26819	2.2
581.27246	2.0
595.25458	5.3
609.27509	2.9
611.24615	0.6
637.26465	7.0
637.41315	0.6
655.27490	100.0
656.27625	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	655.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04488	0.7
78.49390	0.5
94.87019	0.5
98.23416	1.6
104.04667	0.5
127.07639	0.5
182.51065	0.6
275.14355	0.5
377.17596	0.8
391.19159	1.0
405.17007	1.8
406.17734	0.8
407.22495	3.1
419.18204	3.1
420.19211	1.1
421.20291	1.8
432.19199	0.7
433.20612	4.6
434.21164	4.3
435.21719	8.7
436.22574	0.8
447.17834	2.0
447.22647	1.2
448.18185	0.9
448.23273	1.0
449.19168	1.2
461.18887	1.2
462.20380	4.7
463.21152	4.6
475.21338	2.3
477.22522	1.9
479.21170	0.9
489.22888	1.3
495.23859	1.2
507.24960	0.7
508.24753	1.9
509.25433	2.5
521.25580	9.9
522.25989	1.5
535.25836	0.6
549.24884	19.6
550.25098	1.2
553.24426	1.2
563.26624	3.0
581.27344	4.0
595.29211	9.8
596.29657	1.1
609.27002	10.8
610.27216	0.9
623.28741	1.3
655.31006	100.0
656.31451	7.3
671.17432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
55.01871	14.4
55.05254	1.7
55.05508	27.1
57.03431	19.4
57.07075	5.6
59.04982	1.3
61.02913	1.4
65.03934	3.2
67.05498	51.5
68.05794	1.0
69.03425	28.8
69.07063	10.5
71.01344	3.4
71.04985	7.8
71.42087	0.9
73.02921	4.4
77.03955	1.9
79.05489	44.0
81.03411	100.0
81.07052	38.9
82.04186	1.6
83.01338	1.1
83.04974	22.8
83.08611	21.7
83.09097	1.5
85.02898	26.7
85.06538	4.1
87.04456	1.3
91.05473	41.5
93.07034	27.7
93.07597	1.7
94.04150	1.0
95.04960	35.6
95.08599	17.7
95.10928	0.9
97.02886	31.4
97.06524	9.3
97.10165	11.4
98.07333	1.6
99.04443	6.6
99.08079	2.5
101.02389	1.3
101.06036	1.3
103.03946	1.6
103.05471	2.4
105.04510	2.2
105.07021	23.5
107.04953	16.9
107.08583	13.2
109.02873	11.9
109.06502	6.8
109.10142	17.0
111.04429	12.6
111.08069	10.5
113.06009	1.8
115.03928	2.6
115.05403	1.8
116.04742	1.6
117.07032	8.4
119.04903	1.0
119.08562	19.8
121.02905	1.2
121.06488	3.7
121.10129	13.2
123.04414	7.3
123.08067	3.4
123.11720	3.4
125.06031	1.7
125.09618	10.1
127.03905	10.7
127.07531	1.3
127.11200	1.6
128.06213	1.2
129.05493	3.7
129.06998	13.0
131.03374	1.2
131.04892	1.4
131.08562	14.6
133.06523	3.5
133.10129	13.0
135.04419	5.3
135.08081	2.6
135.11710	5.5
137.05960	1.8
137.09630	2.5
139.11180	1.4
141.06964	1.9
142.07791	3.0
143.03394	2.2
143.07004	1.2
143.08568	2.1
143.10597	0.9
145.04901	1.0
145.06502	2.8
145.10112	8.0
147.08052	4.5
147.11662	14.5
149.05991	1.1
149.09604	6.9
151.11179	1.2
153.01878	1.8
153.05438	3.0
153.12761	2.9
155.08629	1.2
155.10611	1.8
157.08765	1.7
157.10127	10.5
159.08031	1.2
159.11694	2.6
161.05978	1.0
161.09683	1.2
163.11183	8.5
165.12756	4.7
171.06535	2.1
171.11693	1.8
173.04453	7.6
173.09587	1.9
173.11763	2.9
175.11198	11.9
177.12784	1.1
181.12250	4.2
183.06561	3.0
187.11043	1.1
189.11247	4.3
189.12703	1.6
191.10652	3.3
193.12227	37.5
194.12599	1.4
199.06058	6.3
199.13304	2.1
201.14893	2.1
205.12183	1.8
209.11711	9.0
211.13272	40.2
212.13609	1.2
219.13777	1.1
219.26970	0.8
221.11649	1.0
227.12665	7.4
229.14322	6.9
247.13284	1.2
248.55453	0.9
249.14780	1.2
253.14323	1.0
255.15865	1.9
261.14908	1.4
265.14420	1.2
267.15894	11.8
273.14743	1.3
277.14319	1.3
283.15451	5.6
285.16934	10.1
289.14230	1.1
301.16443	4.2
325.16397	1.4
337.16367	1.9
353.15814	1.8
355.17426	1.6
404.49402	0.9
411.19836	1.4
421.25778	7.6
427.19690	1.4
439.26849	6.1
440.27274	1.8
458.26822	1.2
475.26700	3.3
476.45554	1.1
493.27975	7.6
511.29044	1.2
564.38989	1.1
637.31714	4.0
638.32330	1.1
655.33649	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	656.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12280	0.9
50.33342	0.8
53.03934	2.5
54.68162	1.1
55.01863	3.0
57.03428	1.3
61.02891	1.5
61.16204	0.8
67.05485	2.3
69.03425	10.2
69.07052	1.3
71.04987	2.0
71.43005	1.1
73.02914	2.6
79.05476	3.3
81.03413	8.4
81.07034	1.6
83.01305	1.1
85.02898	22.0
87.00818	7.0
91.05482	4.5
93.07043	2.8
95.04962	2.7
95.08605	2.2
97.02882	8.3
99.04449	4.1
103.05466	2.9
105.01904	6.1
105.02499	1.5
105.07012	11.3
107.04934	5.0
107.08572	1.9
109.02870	8.5
109.10139	5.2
111.04435	1.5
111.48364	0.9
115.03918	1.0
115.05443	2.6
117.06981	2.3
119.04931	1.4
121.06507	4.6
123.04475	1.2
123.08001	0.9
127.03906	13.5
128.06169	1.8
129.01866	1.6
129.07011	3.3
130.28397	1.0
131.04912	2.7
131.08580	3.0
132.05687	1.0
133.06456	8.2
135.04446	1.2
135.08044	2.2
135.11682	1.2
137.05971	7.0
138.06349	1.4
140.97269	1.0
141.29315	1.0
143.08568	1.6
145.04964	3.9
145.06461	3.0
145.10054	1.3
147.08020	1.3
149.06029	2.4
151.03914	1.2
151.07556	7.7
153.01810	3.5
153.05431	1.6
157.06470	3.9
159.02843	3.9
159.07997	1.7
161.05972	13.6
161.09596	2.5
162.06726	1.2
163.07516	4.2
165.09062	1.4
166.06325	1.8
167.07018	34.1
171.08116	1.9
173.05896	1.3
174.06686	2.0
175.07509	9.0
177.09096	100.0
178.09464	2.9
181.04973	1.6
181.06436	1.0
181.06839	1.3
181.08578	17.3
187.07547	2.9
189.09085	14.6
191.07036	3.5
193.08582	53.4
194.08899	1.1
195.08192	1.1
195.10173	5.7
197.09586	1.1
203.10594	1.3
205.08562	3.2
207.10132	2.7
209.08040	1.8
217.08499	1.5
219.04752	0.9
219.08078	1.3
219.10056	2.0
221.09686	0.8
221.11696	17.5
223.07550	1.8
225.09081	2.8
227.06903	1.3
231.04996	3.1
249.09052	1.3
249.11430	1.4
251.06891	1.1
251.10710	1.4
253.08623	2.1
257.11743	2.1
261.11249	1.4
265.08377	1.1
270.08868	1.1
271.17004	2.2
272.17224	1.8
279.10168	1.6
283.09558	3.6
283.12930	1.9
285.11185	5.1
285.18478	1.7
295.09384	1.4
297.11142	1.5
309.11102	1.7
311.12439	1.5
315.12234	4.0
317.13708	4.1
327.12210	1.7
329.13724	3.7
339.23361	1.1
341.13907	5.2
343.15347	6.7
361.16406	72.2
362.16614	2.7
371.14798	3.0
373.16379	13.1
383.14832	1.6
385.16315	2.8
395.15326	1.1
395.29309	5.2
396.29623	4.6
397.16537	2.2
409.16452	1.3
413.30441	2.0
414.30807	4.2
421.30975	1.5
422.31366	1.4
439.31915	1.9
440.32355	1.3
451.17606	4.5
469.18781	1.7
495.63916	1.1
555.18243	1.6
573.20245	1.1
591.20648	1.3
656.25916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12280	0.9
50.33342	0.8
53.03934	2.5
54.68162	1.1
55.01863	3.0
57.03428	1.3
61.02891	1.5
61.16204	0.8
67.05485	2.3
69.03425	10.2
69.07052	1.3
71.04987	2.0
71.43005	1.1
73.02914	2.6
79.05476	3.3
81.03413	8.4
81.07034	1.6
83.01305	1.1
85.02898	22.0
87.00818	7.0
91.05482	4.5
93.07043	2.8
95.04962	2.7
95.08605	2.2
97.02882	8.3
99.04449	4.1
103.05466	2.9
105.01904	6.1
105.02499	1.5
105.07012	11.3
107.04934	5.0
107.08572	1.9
109.02870	8.5
109.10139	5.2
111.04435	1.5
111.48364	0.9
115.03918	1.0
115.05443	2.6
117.06981	2.3
119.04931	1.4
121.06507	4.6
123.04475	1.2
123.08001	0.9
127.03906	13.5
128.06169	1.8
129.01866	1.6
129.07011	3.3
130.28397	1.0
131.04912	2.7
131.08580	3.0
132.05687	1.0
133.06456	8.2
135.04446	1.2
135.08044	2.2
135.11682	1.2
137.05971	7.0
138.06349	1.4
140.97269	1.0
141.29315	1.0
143.08568	1.6
145.04964	3.9
145.06461	3.0
145.10054	1.3
147.08020	1.3
149.06029	2.4
151.03914	1.2
151.07556	7.7
153.01810	3.5
153.05431	1.6
157.06470	3.9
159.02843	3.9
159.07997	1.7
161.05972	13.6
161.09596	2.5
162.06726	1.2
163.07516	4.2
165.09062	1.4
166.06325	1.8
167.07018	34.1
171.08116	1.9
173.05896	1.3
174.06686	2.0
175.07509	9.0
177.09096	100.0
178.09464	2.9
181.04973	1.6
181.06436	1.0
181.06839	1.3
181.08578	17.3
187.07547	2.9
189.09085	14.6
191.07036	3.5
193.08582	53.4
194.08899	1.1
195.08192	1.1
195.10173	5.7
197.09586	1.1
203.10594	1.3
205.08562	3.2
207.10132	2.7
209.08040	1.8
217.08499	1.5
219.04752	0.9
219.08078	1.3
219.10056	2.0
221.09686	0.8
221.11696	17.5
223.07550	1.8
225.09081	2.8
227.06903	1.3
231.04996	3.1
249.09052	1.3
249.11430	1.4
251.06891	1.1
251.10710	1.4
253.08623	2.1
257.11743	2.1
261.11249	1.4
265.08377	1.1
270.08868	1.1
271.17004	2.2
272.17224	1.8
279.10168	1.6
283.09558	3.6
283.12930	1.9
285.11185	5.1
285.18478	1.7
295.09384	1.4
297.11142	1.5
309.11102	1.7
311.12439	1.5
315.12234	4.0
317.13708	4.1
327.12210	1.7
329.13724	3.7
339.23361	1.1
341.13907	5.2
343.15347	6.7
361.16406	72.2
362.16614	2.7
371.14798	3.0
373.16379	13.1
383.14832	1.6
385.16315	2.8
395.15326	1.1
395.29309	5.2
396.29623	4.6
397.16537	2.2
409.16452	1.3
413.30441	2.0
414.30807	4.2
421.30975	1.5
422.31366	1.4
439.31915	1.9
440.32355	1.3
451.17606	4.5
469.18781	1.7
495.63916	1.1
555.18243	1.6
573.20245	1.1
591.20648	1.3
656.25916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05257	1.5
55.05507	19.6
57.03420	2.0
58.33247	1.0
61.02911	2.7
64.93754	1.0
67.05496	21.8
69.03429	2.5
69.07057	4.7
73.02899	1.0
79.05488	17.6
81.03409	3.6
81.07046	13.1
83.04970	3.2
83.08612	11.3
85.02892	3.0
85.06515	1.3
91.03943	1.1
91.05463	16.6
93.07033	10.1
95.04955	3.7
95.08567	6.2
97.02869	1.3
97.06512	1.4
97.10158	24.0
98.22681	1.7
100.03873	1.1
103.05447	8.7
105.07013	14.2
107.04937	2.4
107.08584	10.6
109.10157	4.3
115.05452	4.0
117.07006	26.5
119.08562	8.0
121.06512	2.5
121.10138	2.2
125.09624	18.0
128.06232	1.4
129.06982	11.1
130.31378	1.0
131.04919	1.4
131.08548	18.1
133.06487	5.3
133.10118	3.3
135.08055	5.4
141.06985	4.7
143.08566	5.7
145.06471	6.4
145.10081	6.3
145.11133	1.0
147.07997	2.2
147.11691	1.2
149.09593	2.5
153.06949	2.2
153.09129	1.9
155.08574	6.7
157.06471	2.2
157.10120	4.3
159.08052	2.4
159.11647	3.3
164.92709	1.2
167.08560	3.4
169.10101	4.1
171.08025	2.4
171.10258	1.7
171.11697	3.4
173.09660	1.2
173.13214	1.5
183.11685	2.1
185.09572	1.2
187.11230	1.0
187.14761	6.7
189.11166	8.6
195.11671	2.5
197.13274	6.3
199.11145	1.3
209.13338	1.1
213.12790	1.8
215.14279	31.1
219.11440	1.3
221.13187	1.4
227.12701	14.9
233.15378	2.5
241.12157	1.7
245.13713	1.9
253.15744	1.6
255.13725	1.2
269.15359	1.3
271.16989	2.2
321.21887	1.0
339.23294	1.7
349.21490	5.2
357.24200	1.3
367.22559	11.3
385.23697	8.5
403.24802	3.0
423.25415	1.3
441.26321	50.2
442.26465	3.4
459.27359	100.0
460.27542	5.9
462.29306	2.9
477.28455	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	657.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87402	1.0
77.81137	0.3
95.08582	0.4
98.22801	0.6
100.30472	0.3
108.46828	0.3
137.05956	1.0
151.07503	0.5
153.01768	0.6
161.05907	0.5
167.07072	0.4
175.03622	1.1
176.04504	0.5
189.05179	0.8
191.03105	0.3
203.03055	0.7
205.04706	37.7
206.05028	0.9
217.04675	0.6
218.05493	8.5
219.06270	2.1
232.07056	6.9
233.07799	1.6
234.08618	7.9
234.11018	0.3
247.09401	5.5
249.07376	2.1
397.12717	0.4
415.13544	6.8
416.13861	0.5
429.15192	10.6
430.15579	0.7
445.14828	0.9
460.17169	1.5
461.17719	1.0
627.23926	0.7
657.25079	100.0
658.25555	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	657.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05965	0.4
52.52703	0.3
62.99059	0.3
69.98733	0.9
69.99076	0.4
91.05486	0.6
93.07034	0.4
98.22780	0.3
98.23281	0.6
105.07047	0.4
107.04975	0.6
121.06499	0.4
131.04871	0.4
137.05946	2.2
151.07585	0.6
153.01883	0.6
161.05981	1.3
176.04504	0.5
177.05356	0.7
188.40828	0.3
189.05273	1.4
189.09085	0.4
203.03145	0.7
205.04706	38.3
206.05052	0.9
207.10164	0.7
217.04691	0.4
218.05482	9.6
218.07545	0.5
219.06261	1.8
231.06262	0.5
232.07047	8.1
233.07820	1.6
234.08607	7.0
247.09402	5.5
248.06836	0.4
249.07388	1.5
297.11218	0.7
351.11761	0.4
415.13583	7.5
416.13626	0.5
427.13342	0.4
429.15192	10.9
430.15863	0.5
445.14706	0.7
460.16968	1.4
461.17950	0.5
472.51514	0.4
473.17874	0.4
487.53503	0.5
519.97095	0.4
535.68829	0.4
541.89191	0.3
627.24463	0.4
657.25104	100.0
658.25500	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	657.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01880	1.0
55.05507	3.3
55.37859	0.9
57.03435	2.3
61.02913	1.3
61.08235	0.6
67.05505	7.3
69.03426	2.2
69.07067	1.5
71.04991	1.6
71.43141	1.1
79.05489	6.2
81.03413	13.4
81.07049	5.6
83.04983	4.7
83.08600	3.2
85.02884	4.1
91.05489	7.6
91.81383	0.7
93.07036	5.3
95.04973	7.6
95.08613	3.2
97.02911	3.1
97.06532	1.2
105.07027	4.6
107.04981	1.8
107.08613	2.8
109.02908	1.6
109.06480	1.4
109.10163	2.7
111.04431	2.3
115.05399	0.7
117.07073	0.9
119.08596	3.2
121.06506	0.8
121.10159	2.5
123.04427	0.7
124.34589	0.6
125.09666	0.9
127.03893	1.1
129.05473	1.0
129.07018	2.1
131.08553	3.6
133.10097	3.7
135.04324	0.7
135.08012	0.8
135.11713	0.8
137.09673	0.7
147.08041	1.1
147.11716	2.9
149.09634	1.6
157.10138	2.4
163.11243	1.5
165.12744	1.1
175.11206	3.0
193.12222	7.4
211.13264	8.4
227.12776	0.9
229.07442	0.8
261.04318	0.6
267.09177	1.7
267.15842	4.9
283.15488	1.1
285.10083	1.4
285.17010	4.7
385.23477	0.8
387.54974	0.7
413.17877	2.4
429.21500	1.9
459.27509	3.5
467.18881	1.2
477.28381	4.1
485.17303	1.2
495.29456	4.7
507.92932	0.7
527.28699	1.0
611.30768	1.0
639.33472	3.3
657.28986	100.0
658.29321	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3092
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
52.23524	0.7
53.03942	1.8
55.01885	1.2
55.05516	4.3
57.03431	2.2
61.02929	4.9
67.05498	6.7
69.03429	4.5
69.07059	1.9
69.20316	2.1
69.20730	2.1
71.04988	1.7
79.05485	8.5
81.03418	7.5
81.07065	6.2
81.09106	0.6
83.04977	2.8
83.08624	3.6
85.02894	6.9
91.03953	2.2
91.05482	6.3
93.07048	4.2
95.04960	3.9
95.08613	2.7
97.02900	4.2
97.06520	1.2
97.10175	3.4
98.23393	1.8
99.04451	1.2
101.02368	1.5
105.04524	0.9
105.07030	5.3
107.04968	1.4
107.08587	4.1
109.02908	1.2
109.06544	1.1
109.10141	2.3
109.27913	0.7
111.04491	0.9
111.08090	2.0
117.07040	1.6
119.04902	0.8
119.08566	4.6
121.06525	1.0
121.10149	3.2
121.43587	0.7
123.11743	1.1
125.09655	4.3
127.03946	1.6
129.07030	1.9
131.08548	2.6
133.06462	1.1
133.10136	2.7
133.41544	0.7
135.08046	1.0
135.11699	0.9
136.07582	1.9
143.08592	0.8
145.10110	1.9
147.11694	2.5
149.09567	1.6
157.10139	2.0
163.11172	1.4
164.07127	1.7
173.09668	0.7
175.11223	1.4
189.11185	3.7
191.14224	1.2
193.12257	3.4
202.04517	0.7
211.09454	1.2
211.13338	2.1
227.12787	1.9
243.08299	1.8
267.12506	0.7
267.15817	3.3
285.16882	1.8
367.22574	0.9
385.23672	1.7
413.17490	1.1
429.17227	7.9
441.25937	0.8
459.27350	4.1
464.12079	6.7
469.20410	5.4
477.28360	4.1
478.19229	1.3
485.20288	1.2
495.29581	1.5
507.14026	8.7
508.14417	1.1
612.27008	0.8
635.38226	0.8
639.23376	1.1
657.22650	26.1
657.30731	100.0
658.22437	2.4
658.32623	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	657.3095
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
51.92263	0.7
55.05508	3.7
57.03427	2.6
61.02922	3.1
67.05489	7.0
69.03419	2.2
69.07057	1.8
69.77153	2.2
71.04996	1.3
79.05467	4.0
81.03411	4.6
81.07043	4.6
82.62490	0.9
83.04964	1.4
83.08617	2.1
85.02905	5.3
91.03960	2.9
91.05468	4.1
93.07049	3.3
95.01100	0.8
95.04961	1.6
95.08611	2.0
97.02886	4.1
97.06503	0.7
97.10192	1.2
98.23454	0.8
99.04458	1.2
101.02402	0.9
103.03918	0.7
105.07029	2.4
107.04929	1.3
107.08591	2.6
109.02856	1.0
109.10155	8.0
111.04367	0.9
111.08128	1.1
111.68491	0.7
116.33574	0.6
117.06993	0.8
119.08580	2.6
121.10144	1.2
123.04215	1.8
127.03915	1.4
129.05461	2.3
131.08481	1.1
133.10133	1.9
135.11731	1.1
137.05923	0.9
145.04958	1.3
145.10071	1.1
147.11700	1.1
149.13329	0.7
159.11650	0.7
173.11731	1.5
181.04692	3.6
184.03348	1.2
185.04196	7.1
185.05641	0.8
195.09981	3.0
199.05820	3.2
200.39900	0.6
201.03658	5.3
209.11790	0.8
211.13232	1.0
221.11507	2.9
227.05238	1.4
229.14459	1.2
235.13017	2.5
241.06923	1.0
243.08330	4.0
251.12511	0.9
265.14090	3.4
267.15961	1.1
283.15323	1.8
293.13547	3.6
301.08884	20.4
301.12320	1.1
302.09125	0.8
311.14688	3.8
315.10544	3.0
339.14145	4.4
341.12009	1.2
349.23737	1.0
357.15472	1.3
360.10181	3.4
369.15359	1.8
373.10986	8.7
377.22913	2.4
383.16949	1.9
385.18271	12.6
387.12515	1.7
392.09250	1.0
401.13843	1.0
413.17755	18.1
414.18201	0.9
423.23282	1.3
429.17496	7.3
441.20944	1.5
443.19049	0.9
444.19641	2.8
451.26978	0.9
457.20557	1.9
459.27130	2.2
467.19162	1.4
477.28629	2.9
485.19705	10.3
495.30276	0.9
499.21393	1.9
513.23431	2.7
527.24915	1.1
555.27979	5.4
569.29285	1.5
597.29047	1.8
599.30066	1.2
611.30200	2.1
639.30164	2.4
640.30841	1.3
657.30524	100.0
658.30762	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	657.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01866	5.7
55.05505	23.6
57.03434	16.2
61.02930	1.6
65.03941	2.3
67.05500	32.9
69.03425	18.2
69.07050	8.2
69.19060	4.5
71.01353	1.3
71.04984	9.3
73.02911	2.2
79.05489	35.7
81.03411	100.0
81.07052	39.9
82.03768	2.2
83.04974	39.2
83.08614	26.5
85.02898	29.1
85.03414	1.6
85.06557	1.6
91.05474	48.4
92.05789	1.2
92.51949	0.9
93.07037	22.5
95.04961	37.3
95.08597	13.1
97.02881	15.3
97.06508	5.6
97.10156	6.4
99.04431	4.7
99.08092	2.6
101.02387	1.2
103.05450	1.6
105.04523	1.6
105.07024	31.7
106.07330	1.3
107.04949	12.2
107.08590	12.7
109.02873	13.3
109.06506	8.5
109.10149	6.1
111.04430	11.7
111.08067	12.7
113.05996	2.3
115.05452	2.9
117.07011	5.8
119.04919	1.4
119.08566	23.4
120.08913	1.1
121.06512	3.8
121.10123	12.0
123.04430	1.0
123.08060	4.9
123.11681	3.1
125.05978	1.3
125.09627	5.5
127.03912	10.2
128.06206	1.3
129.05492	9.6
129.06984	16.1
131.04922	1.0
131.08545	16.8
133.06503	4.9
133.10124	15.8
135.08031	3.0
135.11693	3.1
136.07545	2.7
137.05975	1.4
137.09636	2.3
141.07004	0.9
142.07774	3.5
143.08534	2.4
145.04996	1.4
145.06432	2.2
145.10103	4.1
146.88521	0.9
147.04391	1.4
147.08006	4.9
147.11670	23.4
149.09630	7.3
149.10756	1.1
151.11110	1.0
153.09088	1.1
153.12744	2.9
157.06522	1.0
157.10110	19.3
159.08028	1.7
159.11699	1.0
161.05994	1.4
163.11195	5.1
165.12758	5.6
167.07030	1.1
171.08029	1.2
171.11649	1.4
173.04474	1.9
173.09656	2.0
175.11189	15.9
181.10103	1.1
181.12251	2.7
183.11725	1.0
184.07330	1.9
189.11237	1.8
189.12773	1.9
191.10649	2.7
193.12225	61.8
194.12585	2.2
202.24980	0.9
205.12088	1.4
211.13274	92.6
212.13663	4.8
227.12724	6.7
229.14349	3.5
233.15356	0.9
235.13474	0.9
249.14883	2.5
255.13905	1.8
259.13312	1.3
267.15872	33.6
268.16272	2.6
273.14828	2.9
277.14529	1.0
283.15494	2.1
285.16940	33.1
286.17285	2.5
287.13904	1.9
291.15900	1.3
301.14310	2.8
309.16989	1.2
313.16766	1.1
319.15448	2.1
337.16431	2.9
355.17606	5.0
367.22647	3.0
385.23581	4.9
393.19055	2.3
403.24878	1.6
411.19986	5.3
429.20999	8.0
430.21268	1.1
433.25967	1.1
441.26389	1.4
451.26379	1.6
459.27386	17.0
460.27917	2.3
477.28442	22.2
478.28748	2.3
495.29520	27.9
496.30045	1.8
519.29535	1.9
585.30420	2.0
603.31451	2.8
621.32684	5.5
622.32471	2.0
639.23181	1.7
639.33643	20.6
640.33685	2.9
657.31445	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	658.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19730	0.6
50.95975	0.7
51.92687	0.6
53.03934	2.2
55.01855	1.3
55.05503	9.1
57.03432	6.6
57.07051	0.7
61.02916	1.2
65.03927	1.0
67.05496	30.1
69.03403	0.8
69.07056	7.6
71.01352	1.1
71.04976	2.0
73.06557	1.1
74.07374	0.6
77.03915	0.8
79.05484	37.8
81.03401	6.3
81.06562	1.0
81.07047	20.3
83.04963	8.6
83.08620	3.6
85.02876	1.1
85.06561	1.7
91.05468	23.8
93.07035	39.1
95.04957	10.4
95.08601	8.2
97.02892	0.7
97.06511	6.8
97.10173	4.7
98.22697	1.6
99.08070	1.3
103.05446	0.8
105.04520	1.4
105.06358	0.4
105.07019	15.6
107.04949	4.0
107.08581	16.3
109.06509	3.8
109.10171	3.0
111.08070	0.9
117.07007	5.6
119.08569	10.4
121.06490	1.6
121.10117	4.3
123.08046	2.8
125.09617	1.0
128.06143	1.0
129.05498	0.7
129.06979	6.6
131.08549	2.1
133.10127	5.4
135.08035	1.5
135.11679	17.7
137.09612	0.6
141.09073	0.7
143.08530	3.8
145.10094	8.2
147.08066	1.5
147.11670	14.6
151.11079	0.8
153.12714	0.9
154.58620	0.7
159.11766	0.7
161.09628	2.1
161.13229	4.6
163.11186	2.9
171.11674	7.9
181.12242	2.7
189.12764	4.3
193.12384	0.8
199.13461	0.7
207.13783	10.8
225.14809	0.8
255.15892	25.5
267.15811	3.7
269.17273	0.9
281.17444	25.0
289.17905	1.0
331.21317	0.6
461.28909	100.0
462.29294	5.4
475.27014	0.7
555.32800	1.6
665.09283	0.7
676.78833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01868	3.5
55.05503	12.1
57.03434	14.2
57.07062	3.5
61.02924	2.5
65.03937	3.3
67.05499	43.8
69.03424	3.9
69.07063	14.6
70.06577	4.9
71.04983	4.3
71.08640	1.7
71.41550	1.9
73.02934	1.6
73.67534	1.1
77.03941	1.3
79.05487	32.2
80.17521	1.1
81.03410	55.3
81.07050	50.3
83.04967	6.9
83.08609	17.3
85.02889	2.9
85.06538	3.4
88.07619	6.1
91.05465	26.0
93.07037	38.1
95.04966	25.3
95.08588	14.7
97.02905	2.7
97.06513	8.4
97.10187	4.2
98.21394	1.2
99.08089	1.7
102.09169	3.4
105.07024	18.5
107.04967	5.1
107.08581	20.7
109.06523	3.8
109.10141	4.9
111.04442	2.0
111.08068	9.8
113.06014	1.7
115.05416	1.3
117.07034	5.5
119.04984	1.3
119.08550	12.5
121.06494	2.3
121.10137	13.8
123.08068	2.9
123.11677	1.5
125.09623	1.3
128.06293	1.2
129.06999	7.8
131.08557	11.4
133.06436	1.7
133.10133	10.3
135.08041	4.0
135.11702	5.5
137.09654	1.9
142.07799	2.0
143.08563	1.5
145.10129	4.2
147.04317	1.2
147.08058	2.0
147.11665	6.7
149.02319	12.6
149.09560	6.1
149.13268	16.9
151.11177	1.3
157.10129	6.5
159.11656	11.0
163.11261	1.9
175.11209	5.5
177.12758	4.0
179.14343	1.4
185.13086	1.2
193.04985	15.3
193.12215	14.4
195.13841	5.3
237.07576	3.1
249.14940	1.7
256.26318	14.3
267.15863	53.3
268.16354	1.4
269.17444	64.2
270.17691	1.7
275.20047	3.3
276.19958	1.3
289.17859	1.4
291.19485	3.2
292.19717	1.9
341.06567	3.8
359.07523	1.6
385.09134	6.0
417.26596	1.8
429.11728	9.0
435.27374	3.6
461.28922	100.0
462.29245	4.8
479.30057	2.3
503.29849	2.8
598.15002	1.4
658.35950	25.4
659.35925	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	658.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05510	6.0
57.07072	58.7
59.04985	1.6
67.05510	9.1
69.07072	10.9
69.11690	8.6
71.08629	56.2
73.06547	9.0
79.05495	4.7
80.83737	1.4
81.07058	6.4
81.16247	1.5
82.82687	1.4
83.08613	6.6
85.09691	2.7
85.10178	34.7
85.72159	1.3
87.04464	12.9
87.18833	1.3
89.06024	100.0
90.06381	1.8
91.05459	8.3
93.07033	6.0
95.04956	3.0
95.08584	6.7
97.06551	2.7
97.10169	5.1
98.23427	3.8
99.11717	6.8
105.07014	5.5
107.07027	3.0
107.08579	3.5
109.10130	3.6
111.11733	4.7
113.13309	6.0
117.06965	1.8
117.09109	8.8
119.08581	4.5
121.06511	2.0
125.13291	2.3
127.14805	3.5
131.07031	4.9
131.08574	2.9
133.08598	76.6
135.08072	1.5
142.07733	1.6
145.10156	1.8
147.11749	1.7
161.11813	2.4
170.79979	1.4
177.11195	33.0
183.21115	1.7
206.34169	1.3
213.16557	1.7
221.13832	8.8
223.15428	1.6
239.14880	1.7
265.16608	1.9
271.26294	4.4
273.18524	1.4
275.20099	2.3
283.17365	2.1
291.19714	2.0
315.28796	3.8
327.20285	1.9
349.27472	1.7
415.25217	2.1
459.27988	4.8
565.48724	1.7
641.47882	6.2
644.75311	1.6
658.50446	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	659.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
55.05498	4.4
65.03943	3.0
66.93931	3.0
67.05482	9.6
69.06700	4.9
69.07056	47.7
69.30193	17.3
71.08601	2.7
71.47882	3.4
79.02486	3.4
79.05482	13.9
81.03384	4.5
81.07047	69.0
83.04964	5.9
85.02905	7.4
85.06511	3.4
91.05470	9.6
93.07037	10.7
95.04952	17.5
95.05489	3.7
95.08599	6.4
97.06512	18.7
99.08066	28.2
105.07005	14.6
106.68914	2.8
107.04942	3.6
107.08594	24.8
109.06509	5.2
109.10143	9.0
111.08036	3.4
117.07001	4.6
119.08567	8.4
121.06492	6.4
121.10130	9.6
123.08052	7.0
125.09623	36.7
127.11119	5.1
128.06245	4.6
129.07014	6.1
131.04865	3.4
131.08542	13.9
133.10100	8.8
135.04346	3.8
135.08076	3.8
135.11678	6.0
137.05959	9.5
143.08571	9.7
143.10645	13.3
145.06464	7.0
145.10106	8.5
147.08023	9.5
149.09581	5.2
149.13239	3.8
151.07549	4.0
153.01778	3.7
155.08530	8.8
157.10150	8.6
159.08047	7.2
159.11676	6.5
161.09625	11.0
165.12738	12.5
167.08502	4.4
169.10080	4.8
171.08017	19.8
171.11769	7.1
173.09590	9.9
173.13269	3.2
175.11208	7.1
177.12770	3.4
181.10052	5.9
183.11655	5.9
185.09552	8.0
187.07457	4.5
187.11136	6.3
189.09154	21.7
195.11697	7.1
197.09538	4.6
197.13284	4.9
199.11197	15.0
199.14876	3.7
201.12732	8.4
203.10669	5.2
207.10150	7.8
209.13179	4.5
211.11137	3.5
211.14758	4.6
213.12778	7.5
215.10570	3.9
221.13239	5.6
223.11136	5.2
223.14653	3.6
227.14526	3.6
229.12357	5.5
229.15996	4.5
231.13783	4.7
233.22134	2.9
237.12520	4.6
239.11276	2.9
239.14175	6.8
241.15883	5.7
245.15289	3.8
251.14330	6.1
253.15758	5.5
255.13893	4.6
269.15326	6.9
281.15295	12.0
283.16870	9.8
299.16409	5.4
301.17383	4.5
309.18149	7.3
311.19931	9.0
317.17465	6.3
319.18973	13.2
325.21536	7.3
327.19205	4.6
343.22577	9.5
345.20349	7.4
351.19421	13.3
363.21619	12.3
369.20572	19.6
387.21478	6.7
407.25790	18.0
425.26782	46.4
443.27890	100.0
443.34097	6.0
461.28922	78.8
462.29102	4.8
479.29947	23.6
497.31097	85.1
498.31235	4.0
623.29474	3.8
659.24402	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	660.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.25447	0.8
55.01868	2.3
55.05507	8.3
56.57774	0.9
57.03437	9.2
57.07043	0.9
60.08152	1.2
61.02929	1.2
67.05164	1.4
67.05502	22.0
69.03411	1.8
69.07063	7.6
71.01349	3.1
71.04981	2.5
72.70770	1.1
79.05489	24.3
81.03407	4.1
81.07053	17.5
83.04979	6.3
83.08614	5.0
85.02883	1.0
85.06526	1.4
86.09695	6.7
89.90324	0.9
91.05466	10.1
93.07037	35.0
95.04968	5.9
95.08603	17.3
97.02874	3.0
97.06522	5.9
97.10148	4.4
99.04435	3.4
99.08086	1.3
105.04544	1.3
105.07034	5.2
107.04947	5.1
107.08589	23.7
109.10159	4.6
111.04446	1.4
117.06984	6.1
119.08570	7.4
121.06494	3.6
121.10149	9.5
122.93256	0.8
124.60032	1.0
124.99999	4.8
125.05983	1.4
125.09627	1.4
133.10147	2.0
135.08054	1.1
135.11684	54.1
136.12088	1.1
139.07527	1.1
142.98306	0.9
145.10118	17.1
150.31615	0.9
163.11176	39.7
181.12248	11.0
184.07323	22.2
199.13278	1.0
209.11580	1.4
227.12764	40.1
248.98059	1.0
255.15898	52.1
255.18611	2.4
256.16153	1.3
265.17566	1.0
283.15390	32.2
284.15448	1.1
463.26837	100.0
464.27533	4.7
661.31635	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	660.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01869	4.7
55.05508	12.9
57.03433	18.5
57.07053	1.8
57.67544	0.7
59.04981	2.4
59.43809	0.6
60.08135	1.2
61.02901	2.7
65.03910	1.8
67.05501	34.3
69.03397	2.2
69.07069	10.4
71.01350	4.2
71.04988	4.8
71.07326	0.8
73.02888	1.4
77.03923	0.9
79.05489	35.1
81.03031	0.7
81.03413	8.2
81.07053	21.3
83.01332	4.8
83.04526	1.0
83.04976	12.8
83.08163	1.0
83.08617	7.0
85.02914	4.0
85.06515	2.8
86.09703	6.9
91.03956	1.4
91.04940	1.0
91.05478	16.8
93.07037	42.8
95.04958	8.1
95.08598	8.2
97.02879	2.4
97.05963	0.8
97.06530	10.0
97.10163	8.8
99.04443	2.3
99.08067	2.2
103.05448	0.8
104.10740	0.9
105.04515	0.8
105.07012	7.2
107.04948	6.8
107.08584	25.8
109.06519	4.4
109.10131	2.9
111.04428	2.8
111.08035	2.0
116.35748	0.8
117.07005	7.4
119.08579	9.6
121.06478	3.2
121.10126	8.6
123.08073	4.2
124.99995	4.8
125.05977	1.3
125.09628	1.5
129.06950	0.9
130.07764	1.3
131.08540	1.0
133.10117	1.8
135.08028	2.5
135.11684	41.3
136.11961	1.1
137.09586	2.2
143.08537	1.0
145.10118	14.6
147.08047	1.4
149.09612	0.8
151.11150	0.8
153.12726	2.9
163.11163	17.7
166.06854	0.7
173.09576	2.0
181.12227	10.5
184.07314	22.4
191.10634	1.6
199.13237	1.5
209.11688	4.1
227.12772	2.8
255.15884	90.2
256.16214	2.0
265.14240	1.9
267.15717	1.0
283.15378	44.7
284.15646	1.5
445.25610	3.3
463.26834	100.0
464.27213	7.1
481.27936	0.8
523.25244	0.9
660.34637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01857	1.9
55.05502	6.1
57.03435	11.2
61.02915	1.9
65.03928	1.5
67.05498	29.9
69.03441	2.2
69.07046	2.9
71.04977	2.7
79.05482	19.0
81.03408	33.5
81.07049	17.8
83.04967	7.5
83.08613	11.9
84.05306	0.9
85.02898	18.3
85.06530	2.6
86.09688	1.8
88.28999	0.9
91.05473	87.8
93.07036	12.2
95.04961	15.3
95.08606	5.5
97.02872	2.1
97.06518	2.4
97.10172	1.2
98.22716	2.6
105.07018	45.1
107.04931	3.9
107.08577	5.2
109.06506	3.7
109.10153	3.0
111.04443	2.1
111.07405	0.8
111.08049	4.7
113.05997	0.9
115.05426	2.2
117.07008	3.9
118.09611	0.9
119.04947	1.1
119.08572	11.7
121.06451	1.3
121.10123	5.4
123.11700	2.1
128.06230	2.1
129.06992	4.9
131.08528	8.6
133.10115	100.0
134.10426	1.5
135.11707	2.4
137.09621	1.5
142.07764	0.9
142.89697	0.8
143.08543	4.0
145.10127	1.5
147.08025	1.3
147.11664	8.7
149.09589	4.2
151.11205	4.1
157.10126	8.8
160.57239	0.9
161.09604	17.0
165.12701	1.8
175.11151	8.6
176.04393	0.9
179.10629	1.6
184.07335	3.0
193.12207	23.3
197.11702	2.5
205.91748	0.8
211.13260	29.7
219.70100	0.8
253.14331	53.8
254.14618	1.5
267.15857	27.5
268.16092	1.2
281.22342	0.9
285.16940	47.2
286.17261	2.2
296.97177	0.9
311.14975	1.0
445.25797	29.6
446.26389	1.6
463.26846	80.5
464.27158	3.2
660.32391	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.01838	1.6
55.05507	7.1
57.03436	8.2
57.07042	1.7
59.19180	0.4
61.02918	2.4
65.03908	1.3
65.83385	0.4
67.05497	38.1
68.05806	0.6
68.63583	0.4
69.03400	0.8
69.07061	14.4
70.66142	0.6
71.01337	0.5
71.04987	3.1
71.08604	0.9
73.02866	0.5
77.03893	0.7
79.05484	23.6
81.03429	2.1
81.07047	52.2
82.07365	0.9
83.04968	4.3
83.08612	9.9
85.02891	2.5
85.06526	2.9
87.04418	0.4
91.03934	0.8
91.05468	13.2
93.07034	40.5
95.04964	4.7
95.08594	13.1
97.02863	1.0
97.06516	9.3
97.10126	1.4
99.08073	2.2
105.04505	1.1
105.07022	5.1
107.04932	0.9
107.08582	22.6
109.06486	2.0
109.10155	2.7
111.08057	5.0
111.11676	0.5
113.05946	0.4
113.09598	1.2
117.06993	5.3
119.08543	1.6
121.06460	1.2
121.10135	13.5
123.08015	0.8
123.11677	1.6
125.09592	1.2
127.32661	0.4
129.06961	0.5
131.08554	6.2
133.10107	5.2
135.08000	1.2
135.11676	6.1
139.11151	0.8
143.08476	0.4
145.10004	0.4
147.11626	1.3
149.09637	0.6
149.13237	25.4
150.13551	0.7
151.11107	0.9
157.10100	0.4
157.48932	0.5
159.11678	9.7
165.65358	0.4
173.11722	0.5
177.12740	4.4
193.12215	0.5
195.13780	8.3
213.14920	1.3
229.14249	0.6
243.13383	0.5
247.06749	0.4
253.14276	0.6
269.17438	59.4
270.17868	2.7
366.06592	0.4
445.29770	0.4
463.30490	100.0
464.30905	7.7
660.36542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01873	1.7
55.05508	10.1
57.03441	7.8
57.07076	1.9
60.78875	0.8
61.02922	3.1
65.03923	1.0
67.05502	37.8
69.03439	1.2
69.07066	13.5
70.06585	1.0
71.04990	2.7
73.02918	1.4
74.58362	0.8
79.05484	21.9
80.05809	1.0
81.03434	3.6
81.07053	54.9
83.04971	4.2
83.08622	10.9
85.02919	1.7
85.06537	3.8
91.03934	1.4
91.05478	13.8
93.07043	37.8
95.04950	4.4
95.08603	10.7
97.02903	2.3
97.06522	7.5
97.10199	1.0
99.08102	1.9
102.02411	0.8
105.04529	1.5
105.07034	4.3
107.08587	21.2
109.06538	1.8
109.10168	3.9
111.08076	5.1
117.07002	6.1
119.08512	1.6
121.06476	1.7
121.10139	10.0
123.11690	2.7
125.09657	1.0
127.61282	0.9
131.08568	8.4
133.10138	9.1
135.08014	1.3
135.11697	6.1
139.11105	1.1
146.49503	0.8
147.11618	1.2
149.02304	1.5
149.13257	16.9
150.02740	1.0
151.11209	1.3
152.36516	0.9
157.91809	0.8
159.11716	9.4
177.12775	2.9
193.04985	1.4
195.13771	10.3
213.14832	1.1
251.16492	0.8
257.26590	1.5
269.17453	53.7
270.17880	1.2
387.10495	1.1
463.30518	100.0
464.30933	6.1
607.35046	1.1
660.36572	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	660.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05485	0.9
57.03401	1.3
59.04969	0.6
59.82816	0.5
65.03915	0.7
67.05493	3.4
69.03378	2.1
69.07063	19.1
69.48038	2.9
71.04961	0.8
79.05480	3.7
81.03387	0.6
81.07048	14.6
83.04923	1.8
83.08585	1.0
85.02895	3.1
85.06490	0.6
91.05476	2.7
93.06551	0.6
93.07037	6.6
95.04957	5.7
95.08589	4.2
97.06521	7.2
97.10131	0.9
98.23129	1.7
99.08082	3.7
105.07014	5.6
107.04913	0.6
107.07933	0.8
107.08575	10.6
109.06513	3.2
109.10126	2.8
111.08035	0.8
117.06966	2.3
119.08544	3.5
121.06514	3.3
121.10140	3.4
123.08050	17.7
123.11666	1.1
124.08309	0.7
125.09616	8.8
127.11145	2.1
129.06931	1.4
131.08527	5.0
133.06438	1.0
133.10112	2.7
135.08002	1.7
135.11659	2.8
137.05956	1.4
137.09575	2.0
137.13222	0.9
139.11191	0.6
141.06853	0.7
143.08594	2.9
143.10670	3.9
145.06441	1.3
145.10112	7.0
147.07993	2.0
147.11656	3.1
149.09607	1.1
149.13252	1.3
155.08510	1.8
157.10069	3.0
158.07228	0.8
159.08067	2.7
159.11668	3.4
161.09576	2.8
161.13196	0.6
163.11130	1.1
165.12737	21.4
169.09958	1.0
171.08009	2.5
171.11627	1.6
173.09598	9.8
173.13223	1.5
175.11163	1.9
175.14793	1.2
177.12637	1.3
179.14326	1.1
181.09979	0.7
183.11632	1.8
185.09605	1.0
185.13228	1.9
187.11192	4.2
187.14731	1.2
189.09085	1.7
189.12804	0.6
191.10577	3.5
195.11703	1.5
197.09705	0.8
197.13234	2.2
199.11201	1.3
199.14806	1.0
201.12663	2.2
205.12311	0.7
207.11653	0.7
208.79349	0.7
209.11484	0.8
209.13251	1.1
211.14883	1.1
213.12700	2.0
215.14253	4.2
217.12111	0.7
217.84431	0.5
219.13715	1.0
221.13258	0.8
222.13933	0.6
223.14807	0.9
225.12653	1.6
227.14230	1.7
229.12225	1.1
231.13728	2.0
237.16383	1.0
239.14384	0.6
243.13733	1.8
247.13251	1.1
249.14783	3.9
255.17299	1.3
265.15836	2.3
267.17300	0.9
283.17093	3.2
283.19797	0.6
285.18494	1.7
293.18964	1.1
295.20474	1.3
301.17892	3.8
303.19476	24.4
304.19839	0.8
311.20016	1.3
313.21506	1.2
319.18948	1.2
329.21033	1.1
331.22592	1.3
335.19977	1.1
347.21964	1.4
353.21158	2.9
371.22122	100.0
372.22430	7.5
391.26364	0.9
409.27182	4.0
427.28400	22.1
428.28662	2.0
445.29446	76.2
446.29660	3.4
453.92984	0.6
463.30521	17.2
463.37122	0.8
464.30838	1.1
481.31561	7.8
533.27405	4.5
661.07953	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	660.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.78424	0.6
55.01873	2.0
55.05508	6.7
57.03186	0.9
57.03425	4.9
57.07064	1.3
61.02918	2.0
62.02571	0.7
65.03928	1.2
67.05497	28.3
69.03413	1.0
69.06712	0.9
69.07063	11.2
69.41656	2.4
69.42058	1.6
71.04981	3.7
73.02911	1.4
79.05484	18.4
81.03421	2.2
81.07045	40.1
83.04970	3.2
83.08608	8.5
85.02872	3.8
85.06532	2.7
86.09709	2.4
91.03942	1.1
91.05472	14.2
93.06446	1.6
93.07032	28.0
95.04961	4.2
95.08595	10.4
97.02860	1.7
97.06525	5.7
97.10173	1.3
98.22659	1.4
99.08111	1.2
101.06026	0.7
105.04526	0.9
105.07010	8.6
107.04916	1.0
107.08576	18.1
109.06487	1.6
109.10144	3.5
111.08055	3.4
117.06986	5.3
119.08570	2.5
121.06506	1.7
121.10117	9.8
123.08117	0.9
123.11688	2.2
124.99985	1.4
125.09603	0.7
129.06995	1.2
131.08563	7.2
133.10112	8.2
135.08008	1.2
135.11708	4.5
139.11217	0.7
141.07037	0.8
143.08556	0.9
145.10139	2.5
147.11673	1.4
149.09628	0.9
149.13228	12.9
150.09128	2.6
151.09453	1.2
151.11180	1.5
155.08525	1.0
157.10083	1.3
159.11642	6.3
165.12767	1.0
173.13196	1.0
177.12776	3.0
184.07358	7.7
185.13217	0.9
195.13826	8.2
249.10155	0.7
250.10968	1.2
251.11603	1.0
251.16331	1.6
261.10205	0.8
263.11691	1.6
264.12244	0.9
269.17435	26.6
280.11594	0.8
283.15472	0.9
343.26419	1.0
353.24744	2.5
355.13367	0.8
367.13049	0.8
368.13223	1.4
371.25980	1.1
389.26514	0.8
445.29385	11.9
446.28949	0.8
463.30515	100.0
464.30850	5.3
504.21234	1.6
505.21359	4.5
506.22455	2.0
507.23386	2.0
537.24402	1.6
607.34448	2.6
614.90625	0.7
634.64197	0.7
649.60748	0.8
661.31970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
53.27584	0.5
55.01875	0.9
55.05256	0.9
55.05509	10.5
56.34333	0.5
57.03436	6.8
57.07075	1.5
61.02918	3.8
65.03944	1.7
67.05500	39.1
69.03416	1.0
69.07060	12.4
69.22491	3.3
71.04989	2.7
71.08617	1.4
73.02905	1.7
79.05487	23.7
81.03416	4.2
81.07052	53.4
82.07406	0.7
83.04972	3.9
83.08614	11.4
85.02903	2.9
85.06538	1.7
88.07657	0.6
90.62148	0.5
91.03951	1.2
91.05017	0.4
91.05471	17.1
93.07039	32.7
94.07368	0.6
95.04962	5.0
95.08601	12.0
97.02895	2.3
97.06524	7.7
97.10178	1.4
99.04486	0.7
99.08070	1.1
105.04497	1.4
105.07021	5.8
107.04948	0.6
107.08584	20.8
107.32163	0.7
107.79494	0.5
109.06526	1.8
109.10159	2.9
111.08058	4.0
117.07004	5.6
119.08569	2.6
121.06503	1.9
121.10143	9.0
123.08066	1.1
123.11692	4.9
125.09635	0.6
129.06975	0.7
131.08548	6.4
133.10109	11.4
135.08040	1.7
135.11678	8.3
145.10120	0.7
149.02330	1.1
149.13239	12.9
151.11189	1.0
156.53596	0.6
159.11664	7.1
163.11174	0.7
167.14374	0.8
177.12733	3.1
193.12201	0.8
195.13779	10.6
202.79825	0.5
213.14914	1.5
232.64815	0.5
248.83833	0.6
251.16409	2.8
267.15906	0.9
269.17447	63.4
270.17932	2.8
283.15250	0.6
409.05164	0.6
431.79346	0.7
445.29547	1.7
463.30496	100.0
464.30798	6.3
464.79514	0.6
646.32483	0.7
660.36609	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	660.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01862	8.4
55.05506	35.6
57.03439	16.6
57.07060	2.6
59.04995	12.6
61.26434	2.0
65.03924	5.7
67.05500	100.0
67.05867	4.9
69.03427	5.8
69.07064	31.6
69.22878	10.0
71.04999	11.0
71.08628	3.8
72.11046	2.3
79.05486	56.1
81.03410	65.0
81.07049	77.9
82.03752	2.3
82.07391	3.7
83.04966	11.1
83.08612	23.4
85.02884	4.0
85.06537	8.2
87.04457	8.4
91.05471	57.2
93.07036	56.5
95.04955	34.3
95.08598	32.6
97.02872	4.9
97.06518	17.6
97.10157	10.2
98.23440	3.7
99.04448	3.1
99.08093	5.9
105.04543	3.7
105.07022	35.2
105.32718	1.9
107.04944	12.1
107.08580	33.9
109.06507	9.7
109.10144	39.4
111.04471	3.4
111.08070	11.5
113.51480	2.0
115.05444	4.3
117.07008	13.6
119.08566	34.6
121.06539	7.7
121.10120	21.0
123.08056	9.5
123.11723	3.5
125.09613	12.3
126.62455	2.4
129.06989	14.7
131.08537	19.8
133.06433	3.9
133.10118	24.6
135.08047	4.4
135.11670	12.7
137.09605	12.7
141.06963	2.6
142.07825	3.8
143.08540	6.0
145.10052	12.2
147.08022	4.8
147.11703	13.8
149.09610	19.5
149.13274	5.1
151.11140	4.0
153.12671	2.2
155.08582	3.7
155.10710	2.2
157.08992	1.9
157.10066	11.5
159.11688	8.8
161.09576	3.0
161.13246	4.6
162.09242	1.9
163.11182	12.4
169.10130	4.3
171.11711	4.5
173.09529	3.0
173.11740	13.5
173.13155	3.9
175.11179	10.7
177.12675	2.6
179.14307	6.0
181.12152	2.5
185.13321	3.2
189.11275	3.1
193.12244	22.1
194.12659	2.2
195.13815	2.8
199.13315	5.5
211.13214	3.9
223.03032	2.1
223.13210	3.5
225.14897	5.5
227.12788	6.7
229.14316	32.9
238.31052	2.3
243.15880	4.1
249.15018	2.3
255.15909	4.6
267.15900	38.2
269.17267	4.6
275.20114	16.0
277.21561	2.6
283.15277	3.5
285.16983	2.3
291.19467	3.9
293.20847	4.1
301.17038	2.5
306.25763	2.2
349.23660	9.1
351.24832	1.9
365.23056	2.6
368.24158	2.1
410.51892	2.4
421.25739	7.8
423.27454	3.6
445.29440	4.2
447.27377	5.9
461.29034	2.2
463.30164	7.1
495.33115	4.3
541.35382	9.9
562.37927	10.2
660.36005	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	661.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41985	2.3
69.07291	10.4
106.25792	2.1
119.45163	2.1
165.98219	2.4
180.35516	2.1
184.84961	2.1
194.92320	2.2
255.15692	2.5
327.93939	2.0
392.15869	4.5
401.15775	4.3
402.16690	2.8
415.17917	4.7
416.14444	6.1
419.17151	2.6
429.15439	10.8
430.15784	5.1
431.17285	33.9
432.17258	5.1
443.12546	7.6
443.17102	11.4
444.17590	13.6
456.13956	3.3
457.15018	35.8
458.15079	7.3
471.17099	12.1
472.17404	22.4
475.19653	4.9
488.16452	4.3
489.17191	6.3
496.16714	2.8
497.18115	5.2
503.18689	3.7
504.19354	2.7
517.20465	4.1
531.18475	2.9
558.20667	5.0
559.20776	3.1
576.21649	3.7
590.23077	5.7
618.23157	52.8
619.24109	40.0
620.23566	5.9
629.22272	13.5
661.24103	100.0
662.24640	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	661.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02803	0.3
53.03947	0.3
55.05516	0.6
57.03430	0.8
67.05510	1.9
69.03407	0.4
69.07071	0.4
79.05493	1.7
80.05836	0.4
81.03432	1.1
81.07047	1.8
82.07382	0.3
83.04988	0.7
85.02890	0.6
86.09731	0.4
91.05489	1.8
93.07043	2.0
95.04971	0.7
95.08614	0.8
96.42607	0.3
97.10199	0.6
99.04441	0.4
105.07035	0.7
107.04971	0.5
107.08588	1.9
109.06554	0.5
109.10174	0.5
117.07019	0.5
119.08571	0.8
121.10153	0.5
125.00019	0.6
131.08554	0.7
133.10103	0.4
135.11671	1.9
136.12025	0.8
145.10141	0.9
163.11235	0.6
172.07564	0.3
181.12256	0.3
184.07338	2.2
185.07703	0.5
203.05203	0.4
227.12802	0.5
243.08543	1.0
255.15938	2.2
256.16293	0.9
267.15985	0.7
283.15408	0.6
284.15796	0.7
397.23254	0.3
400.44241	0.4
413.23218	0.4
415.24731	0.5
425.23126	0.3
443.24036	3.0
447.27417	0.5
463.27094	1.1
464.27124	3.4
465.28534	1.3
499.26575	3.7
633.32324	1.6
661.31885	100.0
662.32233	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	661.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.8
53.04110	0.7
55.01778	0.8
55.05415	1.4
55.05653	1.0
67.05377	5.0
67.05763	1.2
69.03304	3.7
69.03710	1.4
69.06940	6.9
69.07343	1.6
69.34216	1.9
71.04880	0.9
79.05354	4.5
81.03286	2.5
81.06915	6.0
81.07438	1.4
83.08506	1.1
85.02756	8.0
87.00685	2.8
91.05333	5.3
93.06889	6.4
93.07530	1.4
95.04850	1.3
95.08454	12.5
97.02747	2.2
97.06377	1.8
97.06961	0.6
97.75883	0.6
99.04333	1.4
105.01706	5.1
105.06871	9.4
105.07630	1.6
107.04816	1.2
107.08431	12.7
109.02714	2.0
109.03401	1.0
109.06447	1.3
109.09998	7.3
111.07987	1.1
111.11637	0.9
117.06854	2.5
119.08561	9.7
119.09316	0.7
121.06321	2.8
121.09971	3.4
123.07870	2.1
123.11568	1.0
127.03902	6.0
128.06052	1.3
129.07002	3.2
131.08560	7.6
133.06351	1.2
133.10126	6.0
135.07877	2.0
135.11511	2.3
137.05849	0.7
141.06837	0.8
142.07590	2.0
143.08539	6.7
145.04794	2.3
145.06186	1.1
145.10114	9.8
147.07837	2.2
147.11670	4.1
149.09448	1.9
149.13109	0.9
153.01709	1.4
155.08504	3.4
156.09229	1.0
157.10094	7.8
159.07877	2.7
159.11668	6.1
161.09608	3.7
161.13048	1.9
163.10992	1.1
163.14723	0.9
165.06912	0.8
167.06773	0.8
167.08345	0.9
169.10098	4.9
170.10742	0.7
171.07852	1.8
171.11653	4.6
173.09550	5.7
173.13268	6.1
175.11179	6.8
175.14661	0.7
181.09950	2.3
183.11679	4.0
184.07262	0.9
184.12325	0.8
185.09393	1.9
185.13211	3.6
187.10994	2.8
187.14618	1.8
189.08852	0.7
189.16258	1.4
191.10614	5.8
192.54086	0.6
193.10060	1.3
193.12053	2.3
194.10860	0.7
195.11639	3.4
197.09470	1.6
197.13167	3.6
198.10332	0.7
199.11183	2.9
199.14790	7.8
201.12675	1.2
201.16264	1.2
203.17836	1.1
205.10017	0.9
207.11513	2.2
209.13225	4.1
211.10992	1.7
211.14632	2.3
212.11768	0.8
213.12787	2.9
213.16249	1.7
215.14088	2.7
215.17526	0.8
218.10634	1.0
219.11493	1.4
221.13089	1.9
223.14638	2.1
224.15289	0.7
225.12576	1.0
225.16222	1.2
227.14270	5.0
231.04842	1.9
231.13655	2.1
233.13327	0.8
233.15326	5.6
235.14682	2.4
237.16292	1.5
239.14157	1.7
239.17787	2.3
241.15733	1.4
245.15199	1.9
247.14685	1.3
249.06032	0.9
249.16293	2.2
251.14197	2.4
251.17795	1.3
253.15685	1.9
255.17276	1.1
255.21080	1.5
259.16953	1.0
261.16284	1.2
263.18109	1.3
265.15631	1.8
267.17416	9.4
268.17999	0.9
269.18817	0.9
271.16733	2.1
273.18463	1.1
277.19461	1.4
279.17429	1.1
279.21024	0.9
281.18994	8.3
283.16733	1.8
283.20084	0.7
285.18460	39.3
286.19012	2.9
293.19174	1.2
293.22363	1.2
295.20428	2.8
297.18188	1.1
299.19861	2.5
303.20938	1.8
306.19971	0.8
307.20496	1.1
311.19940	2.0
312.20700	1.7
313.21603	4.7
321.22089	9.2
324.20810	0.9
325.21640	3.8
326.22342	1.1
327.23175	1.6
337.21326	1.5
337.25192	3.3
339.23138	26.3
340.23587	1.5
352.23843	0.8
353.24829	1.0
359.27295	1.4
365.24585	1.9
377.28210	4.9
380.27121	2.5
395.29404	100.0
396.29758	5.8
413.25397	0.9
413.30435	26.9
413.36041	1.3
414.30746	1.0
643.34332	0.6
661.37854	26.7
662.37646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.8
53.04110	0.7
55.01778	0.8
55.05415	1.4
55.05653	1.0
67.05377	5.0
67.05763	1.2
69.03304	3.7
69.03710	1.4
69.06940	6.9
69.07343	1.6
69.34216	1.9
71.04880	0.9
79.05354	4.5
81.03286	2.5
81.06915	6.0
81.07438	1.4
83.08506	1.1
85.02756	8.0
87.00685	2.8
91.05333	5.3
93.06889	6.4
93.07530	1.4
95.04850	1.3
95.08454	12.5
97.02747	2.2
97.06377	1.8
97.06961	0.6
97.75883	0.6
99.04333	1.4
105.01706	5.1
105.06871	9.4
105.07630	1.6
107.04816	1.2
107.08431	12.7
109.02714	2.0
109.03401	1.0
109.06447	1.3
109.09998	7.3
111.07987	1.1
111.11637	0.9
117.06854	2.5
119.08561	9.7
119.09316	0.7
121.06321	2.8
121.09971	3.4
123.07870	2.1
123.11568	1.0
127.03902	6.0
128.06052	1.3
129.07002	3.2
131.08560	7.6
133.06351	1.2
133.10126	6.0
135.07877	2.0
135.11511	2.3
137.05849	0.7
141.06837	0.8
142.07590	2.0
143.08539	6.7
145.04794	2.3
145.06186	1.1
145.10114	9.8
147.07837	2.2
147.11670	4.1
149.09448	1.9
149.13109	0.9
153.01709	1.4
155.08504	3.4
156.09229	1.0
157.10094	7.8
159.07877	2.7
159.11668	6.1
161.09608	3.7
161.13048	1.9
163.10992	1.1
163.14723	0.9
165.06912	0.8
167.06773	0.8
167.08345	0.9
169.10098	4.9
170.10742	0.7
171.07852	1.8
171.11653	4.6
173.09550	5.7
173.13268	6.1
175.11179	6.8
175.14661	0.7
181.09950	2.3
183.11679	4.0
184.07262	0.9
184.12325	0.8
185.09393	1.9
185.13211	3.6
187.10994	2.8
187.14618	1.8
189.08852	0.7
189.16258	1.4
191.10614	5.8
192.54086	0.6
193.10060	1.3
193.12053	2.3
194.10860	0.7
195.11639	3.4
197.09470	1.6
197.13167	3.6
198.10332	0.7
199.11183	2.9
199.14790	7.8
201.12675	1.2
201.16264	1.2
203.17836	1.1
205.10017	0.9
207.11513	2.2
209.13225	4.1
211.10992	1.7
211.14632	2.3
212.11768	0.8
213.12787	2.9
213.16249	1.7
215.14088	2.7
215.17526	0.8
218.10634	1.0
219.11493	1.4
221.13089	1.9
223.14638	2.1
224.15289	0.7
225.12576	1.0
225.16222	1.2
227.14270	5.0
231.04842	1.9
231.13655	2.1
233.13327	0.8
233.15326	5.6
235.14682	2.4
237.16292	1.5
239.14157	1.7
239.17787	2.3
241.15733	1.4
245.15199	1.9
247.14685	1.3
249.06032	0.9
249.16293	2.2
251.14197	2.4
251.17795	1.3
253.15685	1.9
255.17276	1.1
255.21080	1.5
259.16953	1.0
261.16284	1.2
263.18109	1.3
265.15631	1.8
267.17416	9.4
268.17999	0.9
269.18817	0.9
271.16733	2.1
273.18463	1.1
277.19461	1.4
279.17429	1.1
279.21024	0.9
281.18994	8.3
283.16733	1.8
283.20084	0.7
285.18460	39.3
286.19012	2.9
293.19174	1.2
293.22363	1.2
295.20428	2.8
297.18188	1.1
299.19861	2.5
303.20938	1.8
306.19971	0.8
307.20496	1.1
311.19940	2.0
312.20700	1.7
313.21603	4.7
321.22089	9.2
324.20810	0.9
325.21640	3.8
326.22342	1.1
327.23175	1.6
337.21326	1.5
337.25192	3.3
339.23138	26.3
340.23587	1.5
352.23843	0.8
353.24829	1.0
359.27295	1.4
365.24585	1.9
377.28210	4.9
380.27121	2.5
395.29404	100.0
396.29758	5.8
413.25397	0.9
413.30435	26.9
413.36041	1.3
414.30746	1.0
643.34332	0.6
661.37854	26.7
662.37646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.2
55.01891	1.4
59.64202	0.4
61.02932	0.6
65.03931	5.8
67.05512	0.7
68.99813	0.8
69.03432	1.3
70.11092	0.8
70.11452	0.9
73.40532	0.4
79.87297	0.4
81.03406	4.5
85.02895	4.6
88.02438	0.4
93.03402	11.2
95.04950	0.9
97.02892	1.9
107.01366	0.5
109.02853	2.8
111.04433	27.3
127.03899	2.5
137.02336	100.0
138.02670	1.7
139.03889	60.1
140.04201	1.1
144.06519	0.4
145.04976	1.2
147.04381	1.3
153.01840	0.6
155.03375	80.2
156.03709	1.4
167.03384	73.2
168.03709	1.0
180.08464	0.5
185.04439	0.4
193.12204	0.8
243.08031	0.4
285.16772	1.1
299.07605	1.5
321.05853	0.9
404.54807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
52.65767	0.4
57.03435	0.4
69.03397	0.5
69.07058	0.5
69.28236	1.9
73.02918	0.8
74.97602	0.4
79.01844	3.0
88.65662	0.4
91.05477	1.8
95.04947	0.4
97.02897	0.8
103.05470	3.6
105.07025	0.4
107.01337	0.6
107.04972	0.4
107.06943	0.4
115.63113	0.4
117.07008	0.7
119.04911	0.7
121.06472	0.5
122.03612	0.6
125.02344	1.5
128.06255	0.9
129.06940	0.6
130.80185	0.4
131.04915	6.6
133.06519	0.6
137.05980	9.9
143.03426	5.1
143.08513	2.2
149.05891	0.4
151.04004	0.4
151.07533	2.1
153.01820	100.0
153.02855	4.0
154.02161	1.2
157.06485	0.7
161.05965	1.7
163.07535	17.0
165.06946	0.5
167.08531	0.3
170.84248	0.4
171.08052	2.7
175.07533	5.2
177.09088	2.8
179.07007	1.4
189.09093	1.6
191.07048	0.9
193.06519	0.5
193.10146	0.4
203.07039	1.7
203.10690	1.7
221.05737	0.5
221.09737	0.7
225.09042	0.9
235.07510	0.5
239.10747	0.8
245.34749	0.4
253.08554	0.8
253.12279	1.2
257.08167	0.6
267.10098	0.5
269.11621	0.7
285.11197	1.5
285.18356	0.4
286.19284	0.9
313.14310	1.6
359.11240	1.5
373.12793	5.5
374.13873	0.5
395.28873	0.5
397.31006	1.3
416.07010	0.4
483.16498	16.1
483.43066	0.5
484.16846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43035	4.4
81.03397	5.3
85.02918	5.7
91.05473	20.0
93.03373	12.5
93.07050	10.6
93.54633	4.0
95.04955	9.5
97.02877	6.1
98.23071	5.1
103.05448	19.8
105.06989	10.0
106.04163	14.3
107.04948	9.5
115.05453	6.4
119.04933	6.2
121.06506	29.2
125.05972	9.4
131.04926	17.2
131.08684	5.3
133.06488	6.4
137.05971	23.9
145.06570	5.5
148.05170	10.7
149.05963	47.9
153.01828	47.1
153.09111	12.1
161.05948	17.1
163.07518	23.0
167.07082	31.3
173.06003	6.5
175.07573	5.3
177.05482	26.1
179.07011	15.6
181.04936	46.2
181.08537	28.2
191.07036	49.7
203.07039	13.6
209.08054	100.0
233.08098	5.5
263.09097	5.0
311.04990	4.6
313.49527	5.0
338.01520	4.6
351.50705	4.7
373.12476	5.3
417.15457	6.2
483.16339	6.5
584.57074	5.9
662.34094	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	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01870	1.1
55.05505	10.5
57.03432	9.4
58.49820	0.8
60.01953	0.7
61.02916	2.0
65.03923	1.3
67.05499	32.6
69.03423	2.4
69.06747	1.0
69.07066	8.4
69.08993	5.1
71.01336	2.1
71.04976	2.8
73.02881	0.8
77.03901	1.0
79.05490	32.5
81.03413	21.6
81.07050	21.1
83.04978	10.5
83.08629	9.3
84.08986	1.1
85.02908	6.4
85.06533	2.4
87.04436	0.9
88.28106	0.8
91.04940	1.3
91.05476	20.7
93.07040	32.0
95.04963	19.7
95.08598	9.3
97.02849	1.4
97.06507	7.7
97.10159	6.0
99.04483	1.1
99.08068	2.6
105.04511	1.3
105.07014	15.3
107.04952	4.2
107.08584	27.4
109.06503	4.5
109.10139	4.0
111.04435	2.2
111.08089	4.5
113.06007	1.1
117.06209	1.0
117.06978	4.4
119.08574	10.6
121.06495	1.0
121.10137	7.3
123.08055	1.4
123.11650	1.1
125.09608	2.7
129.06993	5.1
131.08559	5.5
133.06435	1.5
133.10114	9.9
135.08032	3.2
135.11687	31.5
137.09578	2.2
142.07738	1.0
145.10094	6.7
147.08031	1.6
147.11674	8.2
149.09619	3.5
151.11166	3.4
153.12741	1.6
156.75876	0.8
157.10127	5.6
162.87848	0.9
163.11171	6.8
165.12733	2.7
175.11195	5.3
181.12224	5.5
184.07349	2.4
193.12233	15.6
211.13275	13.5
237.14815	1.3
253.14291	1.0
255.15886	42.3
256.16281	1.7
266.58716	1.1
267.15921	13.1
285.16919	11.7
334.84546	0.8
373.23557	1.4
421.25452	1.1
447.27423	30.2
448.27347	2.0
465.28445	100.0
466.28842	6.6
663.29498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01867	3.2
55.05503	16.5
55.17008	1.5
55.76200	1.7
57.03431	20.7
57.07065	1.7
61.02918	5.5
61.43794	1.5
65.03922	2.0
67.05496	49.5
69.03410	4.7
69.07058	10.5
70.09434	2.5
70.09750	2.7
71.01334	3.0
71.04975	5.1
73.02888	2.8
77.17370	1.7
79.05486	45.4
81.03410	54.0
81.06622	2.6
81.07050	30.0
83.04601	1.5
83.04980	17.3
83.08606	17.6
85.02901	16.1
85.06539	5.6
88.28852	1.6
91.05474	34.3
93.06438	2.5
93.07040	43.1
95.04972	22.1
95.08566	9.8
97.02871	5.4
97.06523	11.6
97.10168	10.0
99.08118	2.0
105.07012	15.1
107.04948	7.0
107.08585	23.8
109.06495	4.6
109.10113	6.4
111.04429	2.4
111.08071	6.9
115.05444	1.8
117.06997	2.6
119.08580	13.7
121.10143	11.6
123.08056	2.1
124.47598	1.6
125.09650	3.7
129.06984	6.8
131.08569	8.9
133.06462	3.0
133.10143	10.3
135.11678	39.6
137.09612	3.8
142.07800	3.1
145.10129	8.5
147.07986	2.9
147.11661	9.5
149.09613	5.0
157.10123	9.6
163.11168	5.6
165.12762	3.9
175.11176	11.5
181.12193	10.2
184.07256	2.0
193.12225	35.2
211.13272	50.3
214.89291	1.7
249.14821	1.8
255.15884	77.1
257.88788	1.7
267.15924	25.8
268.16446	1.6
285.16928	33.6
286.17297	2.2
421.25726	2.3
447.27402	68.4
448.27283	4.6
465.28473	100.0
466.28638	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	662.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.0
57.03428	10.0
57.07074	5.0
59.04984	3.4
61.02918	2.4
65.03941	1.7
67.05497	62.8
68.05824	1.3
69.07061	16.3
69.08132	3.6
69.08540	3.7
71.04985	2.6
71.08616	2.3
79.05489	7.4
80.04815	1.0
81.07047	22.6
83.04968	1.7
83.08598	16.5
85.02901	4.5
85.06535	3.4
85.10158	1.4
87.04455	6.8
91.03958	1.7
91.05473	5.8
93.07022	8.7
95.04943	1.1
95.08596	11.8
97.06522	1.7
97.10150	7.5
99.08049	1.3
103.66715	1.1
105.06989	1.3
107.08590	4.6
109.10142	68.4
111.08073	3.2
111.11697	1.9
119.08598	4.9
121.10126	8.5
123.11707	1.9
125.00005	1.2
125.09585	1.1
135.11673	6.8
137.09624	3.3
149.13229	2.0
155.10645	5.0
173.11713	18.5
183.75333	1.0
184.07274	5.3
203.84674	1.1
219.21056	1.0
229.14320	100.0
230.14693	2.1
237.22249	1.5
311.25751	71.5
312.26086	4.0
392.37106	1.3
464.52017	1.2
465.35687	61.7
466.35800	3.5
521.38171	1.1
663.47070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27138	1.6
55.05502	14.6
57.03435	9.3
57.07075	6.6
59.04993	4.7
60.08153	2.0
61.02921	4.8
62.17271	1.5
63.03186	1.6
67.05499	74.8
69.03430	1.6
69.07062	20.8
69.18965	3.0
69.19371	8.7
71.04984	4.2
71.08630	2.4
72.33728	1.5
77.06966	1.6
79.05489	7.8
81.07044	23.6
83.08612	15.0
85.02905	3.0
85.06543	2.4
85.10174	2.7
86.09713	11.2
87.04488	11.3
91.03940	2.6
91.05479	5.1
93.07031	12.9
94.62634	1.6
95.08598	18.5
97.02907	2.1
97.06506	1.7
97.10175	8.8
99.08058	2.2
106.14395	1.7
107.04977	1.7
107.08585	7.2
109.10147	54.3
110.10468	1.7
111.08052	4.2
119.08577	6.8
121.09380	1.6
121.10135	9.7
124.99981	5.7
129.51114	1.7
135.11713	7.3
137.09639	3.9
137.13135	1.8
145.10075	1.8
147.23573	1.7
149.13269	3.0
155.10651	3.4
173.11711	16.7
184.07338	38.8
209.31094	1.7
219.21152	2.2
229.14334	100.0
230.14645	1.9
237.22108	3.1
253.63791	2.1
275.80219	1.6
277.21802	2.1
311.25745	90.8
312.26248	5.1
437.56757	1.8
465.35718	96.3
466.35754	3.8
488.29550	1.9
521.38049	2.4
641.88690	1.7
662.43854	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	663.2405
Annotation	CHEBI:66414
Peak:m/z	Relative Intensity
52.87895	1.3
63.73827	1.2
71.61746	1.1
73.46987	1.1
98.22737	3.9
98.23429	3.8
143.01698	1.2
149.02321	5.1
150.02618	1.4
159.27834	1.1
167.69286	1.4
192.70799	1.1
193.05008	2.0
211.35478	1.3
240.33348	1.1
327.26007	1.3
399.38953	1.3
445.25201	1.6
474.15433	1.6
501.27936	2.4
573.17224	3.1
588.19458	4.1
621.23767	3.3
663.23615	100.0
663.33386	88.1
664.23956	6.0
664.33759	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	663.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61395	0.2
53.03942	0.5
55.01869	0.3
55.05503	1.1
57.03434	1.7
57.07078	0.3
61.02921	3.7
65.03947	0.5
67.05496	3.9
67.05819	0.3
69.03423	2.0
69.07064	0.7
71.01357	0.7
71.04987	0.5
73.02917	2.7
74.70433	0.3
75.49409	0.2
76.00965	0.2
79.05485	4.8
81.03411	2.0
81.07046	2.9
83.04983	1.0
83.08632	0.4
85.02898	3.5
87.92194	0.3
91.03951	1.6
91.05481	3.3
93.07037	4.7
95.04953	1.3
95.08608	1.7
97.02879	3.4
97.06535	0.8
97.10161	0.6
99.04451	0.6
101.02380	0.9
105.04528	0.5
105.07001	2.0
107.04909	0.5
107.08574	2.4
109.02876	0.8
109.06525	0.4
109.10162	0.7
111.08077	0.2
117.07018	0.8
119.08556	1.4
121.10194	0.6
123.08110	0.4
127.03917	1.2
129.07051	0.9
131.08542	0.4
133.10130	0.7
135.11671	2.9
137.09653	0.3
143.08609	0.5
145.04994	0.3
145.10153	1.1
147.11649	1.8
161.13315	0.4
163.11169	0.4
171.10435	0.2
171.11647	1.2
185.04240	0.5
207.13864	0.3
221.11383	1.3
243.08319	1.9
247.13158	1.0
255.15891	0.4
281.17447	0.5
339.17990	0.4
439.19318	5.8
440.19843	0.4
465.20932	7.2
466.21320	0.6
501.27429	0.4
544.96576	0.3
566.30762	0.6
663.33398	100.0
664.33783	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	663.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
57.03419	1.1
58.83402	0.4
61.02931	0.7
67.05499	2.9
68.05843	0.8
69.03444	0.6
69.07050	1.3
69.94765	0.6
69.95085	1.0
79.05475	2.8
80.05840	0.5
81.03405	3.6
81.07059	3.2
82.03763	0.7
83.04987	0.9
83.08618	1.3
84.05265	0.4
85.02918	1.1
85.06538	0.7
91.05463	2.2
93.07050	2.7
94.07393	0.6
95.04973	1.6
95.08591	1.0
97.06527	0.9
97.10186	1.0
105.07042	1.5
107.08598	1.7
109.10181	1.0
111.08071	0.7
117.06975	0.5
119.08584	0.9
121.10171	1.1
126.07579	0.5
128.39084	0.6
129.06978	0.5
131.04909	0.4
131.08589	0.7
133.10146	1.4
135.11687	1.6
136.12076	0.7
137.09578	0.5
145.10156	0.9
147.11711	0.7
149.02338	2.3
150.02696	0.8
157.10080	0.9
164.47093	0.5
175.11220	0.6
176.11539	0.4
184.07272	2.2
185.07591	0.7
193.04974	0.9
193.12238	1.1
194.12663	0.5
195.11694	0.5
198.49524	0.4
203.05338	0.6
211.13370	1.3
212.13719	0.8
243.08379	1.4
255.15912	3.0
256.16162	2.5
267.15964	1.1
268.16251	1.0
285.16916	0.9
304.87125	0.4
413.17712	0.7
429.11926	1.0
430.12329	1.2
445.25421	2.1
447.27130	1.3
448.27582	3.4
465.28549	0.7
466.28836	4.3
473.14182	0.7
474.14661	1.3
491.22586	0.7
501.28171	1.9
507.74826	0.5
635.33649	0.8
663.33368	100.0
664.33716	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	663.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
52.60697	0.6
53.03946	1.3
55.01856	1.6
55.05505	5.4
57.03443	1.4
57.07070	1.5
61.02898	0.9
61.85376	0.7
65.03942	1.1
67.05505	10.5
69.03428	5.7
69.07063	20.4
71.04980	0.8
71.08644	1.3
71.42754	0.9
79.05496	5.0
81.03403	3.7
81.07059	13.8
83.04985	1.4
83.08611	2.6
83.33213	0.6
85.02905	12.8
86.09734	1.0
87.00829	3.6
91.05480	9.7
93.07039	17.2
93.07599	1.2
95.04975	4.1
95.08602	25.4
96.76731	0.7
97.02891	4.1
97.06506	1.2
97.10151	2.2
99.04449	1.8
99.08064	1.0
105.01868	4.8
105.03397	1.0
105.07020	11.4
107.04986	1.2
107.08580	9.3
107.09244	0.9
109.02882	2.9
109.06494	1.3
109.10136	10.0
111.08095	1.3
111.11716	2.9
112.08423	0.7
114.38199	0.8
117.07004	2.4
119.04959	1.2
119.08597	8.1
121.06495	17.9
121.10139	7.6
122.09682	2.5
123.08086	2.5
123.11736	3.7
125.09637	0.9
127.03915	8.1
128.06210	1.0
129.07027	3.1
130.07787	0.9
131.08583	7.9
133.10117	9.5
135.08098	1.3
135.11728	3.7
136.07597	1.2
137.06039	0.9
137.09569	0.9
137.13237	2.0
139.07562	1.0
141.06987	2.3
143.08557	7.0
145.04971	2.7
145.10106	13.0
147.08069	2.8
147.11688	12.3
149.09602	1.7
149.13264	3.4
151.11172	0.9
155.08563	3.6
157.10152	6.6
159.08080	2.8
159.11693	5.6
161.09590	3.3
161.13292	2.8
163.11205	1.3
163.14804	1.7
164.07057	1.5
167.08530	1.5
169.10152	3.3
171.08066	1.4
171.11716	3.9
173.09605	9.0
173.13280	3.4
174.10222	1.0
175.11227	6.5
175.14851	1.6
181.10092	2.6
183.11714	4.9
184.07361	2.3
185.09642	1.9
185.13260	4.9
187.11211	2.4
187.14815	1.6
191.10664	1.1
193.10147	1.0
195.11697	3.4
197.13213	5.8
198.14061	1.0
199.11195	3.0
199.14790	4.0
201.12779	2.8
201.16379	2.0
203.17928	1.3
207.11720	2.0
209.13232	5.4
211.11304	0.9
211.14856	2.8
213.12657	4.1
213.16345	2.2
214.13559	2.9
215.14291	2.7
221.13242	0.9
223.14891	2.6
225.12819	1.7
225.16370	6.1
227.14389	2.7
227.17882	1.4
229.15889	2.5
231.05052	1.5
235.14876	1.4
237.16472	1.9
239.14307	1.3
239.17937	8.8
240.18674	8.0
241.15886	3.0
241.19461	6.1
243.17424	4.9
249.06046	1.2
249.16455	3.9
250.16927	1.7
251.17908	6.3
253.15837	7.4
253.19545	2.0
255.17368	2.9
257.18942	1.0
261.18454	1.6
265.19659	1.2
266.20453	1.0
267.17438	17.1
267.20444	1.3
268.18207	36.8
269.18967	23.3
270.19296	1.6
271.17075	1.5
277.19565	1.0
281.18945	1.6
283.20605	0.8
285.18469	13.5
285.21805	1.3
286.19266	32.7
286.22491	1.8
287.19995	6.7
295.24268	0.9
297.22192	2.5
305.22781	1.0
311.23361	1.2
313.21759	1.8
315.23264	1.5
319.24118	1.9
323.23734	2.5
329.25085	1.0
341.24521	1.3
351.30487	12.4
361.28961	5.8
369.31390	1.4
379.29938	53.6
380.30334	3.3
396.29517	0.9
397.30991	100.0
398.31262	5.9
415.32022	21.1
416.32428	1.6
421.30823	1.5
439.32007	3.5
465.29819	3.7
483.31104	7.2
501.31253	0.9
609.33997	1.3
627.35217	1.2
645.36627	3.7
663.38306	11.5
664.39557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	54.2
69.41010	7.8
74.96502	1.6
81.93840	1.9
91.05466	5.2
147.11641	5.8
153.06914	2.2
172.65623	1.7
189.36253	2.1
195.32236	2.0
230.81497	1.9
233.03615	6.7
251.04593	16.9
307.10931	3.6
327.07767	100.0
328.08212	4.3
383.14020	88.5
384.14401	4.5
439.20313	79.3
440.20380	2.4
495.26553	76.2
496.26547	4.8
551.32806	91.8
551.41229	3.2
552.32770	5.2
607.39014	60.8
608.39374	3.9
663.45471	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	664.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89504	0.6
53.03920	0.6
55.01871	0.8
55.05509	7.6
55.72453	0.6
56.34252	0.6
57.03436	9.5
57.07061	0.9
59.04999	1.8
61.02917	2.3
63.06606	0.6
65.03943	1.2
67.05499	63.0
69.03423	1.5
69.06759	0.8
69.07064	8.5
71.01327	1.9
71.04628	1.3
71.04989	14.9
71.43410	0.7
79.05485	25.7
81.03403	3.1
81.07050	16.8
83.04967	5.8
83.08612	3.7
85.02901	2.3
85.06531	2.9
86.80687	0.7
91.05472	15.0
91.06049	0.7
93.07038	32.1
93.41156	0.6
95.04964	4.2
95.08596	7.9
97.06530	8.4
97.10163	7.6
98.22708	1.8
99.04471	0.7
99.08101	1.5
105.04486	0.7
105.07013	3.0
107.04940	0.9
107.08585	21.2
109.10146	38.8
111.08084	3.0
117.07024	3.9
119.08569	8.0
120.28119	0.8
121.06535	1.0
121.10147	4.9
125.09586	1.0
133.10139	2.2
135.08151	1.2
135.11681	33.9
137.09618	5.3
138.56477	0.6
140.03607	0.6
145.10110	6.8
149.02290	1.2
153.12756	1.5
155.10635	2.2
163.11188	5.0
169.12218	0.8
173.11690	5.3
181.12224	6.8
192.86745	0.7
199.13229	1.0
255.15895	17.3
287.18451	6.7
387.81006	0.7
409.25815	51.1
410.26172	2.0
423.27353	6.7
435.27383	100.0
436.27783	6.4
467.30029	25.0
467.36932	1.0
468.30066	1.4
665.34790	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	664.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82422	4.5
55.05495	6.4
57.03434	13.6
57.07063	20.1
67.05503	65.7
69.07044	5.0
71.08619	19.5
71.44146	4.4
81.07045	19.1
83.08597	14.4
85.10172	9.7
91.05509	4.6
95.08590	11.4
109.10137	70.2
119.08591	4.5
173.11703	17.9
219.48576	4.6
229.14317	100.0
229.16396	8.9
313.27328	79.3
467.37320	65.7
552.50220	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	665.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01862	0.6
55.05500	1.4
57.03424	2.2
61.02917	3.7
64.33889	0.3
65.03928	0.5
67.05495	4.6
69.03419	2.5
69.07059	0.9
70.25295	0.8
71.01350	0.6
71.04991	1.4
73.02905	3.4
78.44122	0.4
79.05486	4.3
80.05821	0.3
81.03411	2.0
81.07050	2.5
83.04958	1.2
83.08603	1.2
85.02883	4.1
85.06536	0.4
91.03927	1.9
91.05471	1.7
93.07031	4.6
95.04953	1.8
95.08614	1.1
97.02877	3.5
97.06530	1.2
97.10181	1.1
99.04460	1.3
101.02376	1.5
103.03922	0.5
103.55833	0.4
105.07027	0.8
107.04930	0.6
107.08577	3.4
109.02895	0.9
109.06492	0.5
109.10153	0.9
113.06007	1.3
117.07045	1.0
119.08585	1.5
121.10149	1.1
123.08060	0.6
125.05997	0.4
127.03921	1.3
129.05501	0.4
133.10100	0.5
133.27814	0.4
135.08093	0.4
135.11671	5.5
145.10086	2.0
156.87547	0.5
163.11160	2.4
181.12212	1.1
183.33861	0.3
185.04224	0.6
237.05759	0.3
243.08336	2.2
283.15439	0.7
283.32635	0.4
394.88641	0.4
435.27429	0.9
436.27637	1.1
439.19293	8.4
440.19922	0.4
453.21149	0.6
467.18713	5.6
503.25626	0.5
665.31256	100.0
666.31543	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	665.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05510	1.0
56.96024	0.3
57.03431	1.1
59.64243	0.3
61.02922	4.2
66.97816	0.3
67.05499	3.3
69.03421	2.4
69.07064	0.4
71.01341	0.4
71.04993	0.6
73.02911	3.0
79.05487	2.1
81.03414	4.0
81.07049	2.8
83.04973	1.0
83.08614	1.0
85.02895	5.6
85.06533	0.3
91.03951	2.7
91.05472	10.7
93.07049	1.4
95.04959	1.6
95.08614	1.0
97.02885	3.6
97.06516	0.3
99.04482	0.6
101.02380	1.6
103.03877	0.4
105.07015	4.7
107.04996	0.8
107.08597	1.2
109.02883	0.7
109.06573	0.7
109.10168	0.6
111.04443	0.3
111.08090	0.4
113.05984	0.5
115.03925	0.4
117.07034	0.6
119.08562	1.7
121.10149	0.9
127.03928	1.2
128.06224	0.3
129.07066	0.5
130.35616	0.3
131.08563	0.9
133.06535	0.3
133.10117	11.8
135.11725	0.5
137.09669	0.4
141.33420	0.3
143.08572	1.2
145.05002	0.5
145.10139	0.5
147.11690	1.5
149.09598	0.6
149.97160	0.3
151.11174	0.5
157.10123	0.7
161.09615	2.0
163.11147	0.4
175.11209	0.7
181.37068	0.3
184.07387	0.9
193.12210	1.6
202.51724	0.3
203.05243	0.4
204.67030	0.3
209.00909	0.3
211.13281	0.7
219.09929	3.8
219.12035	0.4
227.91547	0.3
243.08397	2.1
251.12518	0.8
253.14413	0.6
275.12448	0.7
303.06851	1.9
307.15268	0.5
317.17755	0.3
437.17819	6.5
469.20447	10.1
469.27252	0.6
503.26257	0.6
665.31329	100.0
666.31653	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	665.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05508	1.1
55.70797	0.3
55.82559	0.4
57.03432	1.2
61.02924	4.0
65.18417	0.5
67.05492	4.8
69.03420	2.2
69.07066	1.2
70.06544	0.5
70.06889	0.9
71.01322	0.4
71.04989	0.9
73.02910	2.4
79.05489	2.3
81.03418	1.0
81.07049	6.0
83.04963	0.6
83.08614	1.0
85.02895	3.7
91.03964	2.5
91.05489	1.2
93.07030	4.8
95.04948	0.6
95.08585	1.7
97.02889	3.8
97.06534	0.9
98.23070	1.0
99.04477	0.8
99.08065	0.4
101.02388	1.7
105.07036	0.6
107.08605	2.1
109.02861	1.1
111.08070	0.9
117.07044	0.6
121.10141	1.6
127.03889	1.2
131.08563	0.8
133.10117	0.5
135.11699	0.6
149.02301	0.5
149.13234	3.8
159.11678	1.8
167.24939	0.4
177.12750	0.9
185.04234	0.4
195.13872	0.7
203.05301	0.4
235.13017	1.8
243.08508	1.5
291.15616	1.0
381.83322	0.4
453.20892	14.9
454.21054	0.7
539.82697	0.4
665.34961	100.0
666.35217	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	665.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05511	1.1
57.03423	1.7
61.02920	3.9
62.81087	0.3
64.96221	0.3
67.05495	5.4
67.26649	0.3
69.03414	2.0
69.07085	1.4
69.17039	1.8
71.05000	0.7
73.02905	3.2
77.09186	0.3
79.05486	3.0
81.03415	1.8
81.07050	6.5
83.04986	0.6
83.08611	1.7
85.02895	4.1
85.06534	0.6
87.04460	0.4
91.03934	2.7
91.05470	2.3
93.07035	4.1
95.04953	1.0
95.08616	2.2
97.02888	3.8
97.06531	1.0
98.23414	0.7
99.04454	0.9
101.02380	1.4
105.07024	1.1
107.08574	2.7
109.02868	1.1
109.06508	0.4
109.10139	0.8
111.08105	0.6
115.03932	0.3
117.07034	0.6
119.08591	0.8
121.10130	1.7
127.03926	1.4
131.08562	1.1
133.10138	1.3
135.08089	0.3
135.11700	0.9
143.08592	0.3
145.10156	0.4
149.13203	2.3
157.10146	0.3
159.11714	1.3
177.12778	0.6
185.04199	0.7
195.13866	1.2
203.05276	0.4
234.44893	0.3
235.13037	1.4
243.08316	1.7
251.12364	0.3
269.17484	1.0
291.15756	0.7
341.65939	0.4
360.88809	0.3
366.17090	0.3
441.27948	0.3
453.20929	14.7
454.21365	0.5
503.29459	0.5
647.37225	0.7
665.34924	100.0
666.35272	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	665.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
57.03430	1.7
58.94584	0.5
61.02922	3.9
67.05497	5.0
69.03426	2.8
69.07066	1.3
71.04988	0.7
73.02906	3.6
79.05481	3.9
81.03417	2.1
81.07052	6.2
83.04977	1.0
83.08621	1.5
85.02896	3.9
85.06549	0.6
90.85188	0.4
91.03930	2.4
91.05482	2.3
93.07035	5.7
95.04955	1.3
95.08615	1.6
97.02880	4.0
97.06538	1.2
98.22617	1.2
99.04469	0.7
101.02390	2.0
105.07044	1.2
107.08571	2.5
109.02895	1.5
109.10134	0.6
111.08035	0.6
113.39879	0.4
114.77608	0.4
117.07037	1.1
118.95062	0.5
119.08606	0.5
121.10134	1.7
123.08064	0.6
127.03943	1.8
131.08562	1.3
133.10153	1.3
135.11711	0.8
145.10138	0.6
147.11696	0.6
149.13263	2.5
159.11699	1.6
177.12769	0.6
185.04207	0.7
195.13861	1.4
235.13123	1.7
243.08440	2.7
269.17542	1.8
291.15796	0.6
351.12872	0.6
445.01297	0.5
453.20920	19.9
464.28531	0.5
503.29749	0.6
665.34937	100.0
666.35101	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	665.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01870	0.8
55.05498	2.2
57.03423	1.8
61.02922	4.8
65.13796	0.5
67.05504	7.3
69.03423	2.8
69.07063	2.5
69.56267	0.5
71.04991	0.9
73.02913	3.3
77.92686	0.5
79.05494	3.8
81.03409	2.7
81.07049	8.0
83.04964	0.9
83.08608	2.4
85.02888	3.7
85.06538	0.5
87.04440	0.6
91.03945	2.4
91.05464	3.1
93.07037	6.3
95.04971	2.3
95.08607	3.3
97.02894	4.1
97.06538	0.9
99.04472	1.2
101.02377	1.5
103.03971	0.6
105.07035	2.3
107.04977	0.7
107.08564	3.0
107.16847	0.5
109.02866	0.6
109.06511	1.1
109.10165	1.1
111.08060	0.6
117.07024	2.1
119.08579	2.2
121.06499	1.1
121.10110	1.7
123.08080	0.9
123.11740	0.5
127.03918	1.7
131.08580	1.4
133.10103	2.7
135.08043	0.7
135.11679	1.6
145.05011	0.6
145.10104	1.0
147.11629	0.7
149.09622	0.6
149.13235	1.8
151.07530	0.9
151.11266	0.7
157.10097	0.6
159.11693	2.0
161.08156	0.5
163.11165	1.2
173.13379	0.9
195.13879	1.2
212.10629	0.5
229.14279	0.7
235.13007	1.5
243.08395	2.1
275.20068	1.4
291.15533	0.7
298.43127	0.6
373.18594	0.9
435.44995	0.6
448.26218	0.5
453.20938	14.2
454.21082	1.0
469.30368	0.6
490.52167	0.6
503.29617	0.8
647.38367	0.5
665.34943	100.0
666.35364	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89982	0.3
70.47957	0.4
70.48280	0.5
81.95468	0.3
98.23209	0.6
120.95289	0.3
124.05149	0.3
124.41280	0.3
131.08434	0.3
132.67813	0.3
151.03894	5.2
151.05035	0.5
153.01805	0.9
167.07028	3.2
168.07442	0.3
173.06013	0.9
181.04993	1.1
227.93286	0.3
236.13184	0.3
303.49329	0.3
313.12604	0.4
329.10193	0.5
347.11368	0.8
413.96591	0.4
417.15460	2.2
418.15552	0.3
433.18295	0.5
435.19687	0.4
503.29608	1.0
665.34955	100.0
666.26843	0.3
666.35358	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	666.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03928	0.9
55.01883	0.3
55.05494	0.7
57.03433	0.6
59.30755	0.2
62.43106	0.2
65.47321	0.2
67.05495	0.6
69.03428	1.9
70.01781	0.8
75.04462	0.7
77.03950	0.3
79.05489	5.2
81.03413	2.5
81.07035	1.0
85.02895	0.6
91.04942	0.3
91.05471	4.6
91.21989	0.2
91.46904	0.2
93.07038	16.2
93.49744	0.2
95.04947	1.6
95.08579	0.5
97.02897	1.9
97.06483	0.3
103.05444	0.9
105.04503	0.6
105.07021	1.6
107.08575	2.8
109.02879	1.1
111.08067	0.6
113.53471	0.3
116.81189	0.3
119.04929	0.3
119.08564	1.2
121.06443	0.4
121.10135	15.3
127.03904	0.7
131.04948	0.6
131.08568	1.1
137.05887	0.4
139.11142	0.5
147.04402	0.8
147.08081	0.5
149.09608	3.8
153.01831	0.4
157.02835	0.7
167.10646	0.7
175.03934	1.8
185.02318	1.0
187.03868	3.8
203.03305	2.5
203.04840	0.3
213.01823	2.9
213.94609	0.3
215.03352	3.3
231.02863	14.7
232.03214	0.3
237.09094	0.3
241.01280	2.7
247.02390	0.9
257.00787	0.6
259.02356	25.5
260.02756	0.7
275.01828	1.2
276.02383	0.4
277.03403	100.0
278.03732	2.3
285.00275	0.4
289.03336	0.5
293.13754	0.6
302.97775	0.4
303.01300	8.8
311.14813	1.2
321.02371	3.4
355.04285	0.3
399.03494	0.8
431.57928	0.3
465.06650	0.5
595.14209	0.5
613.15497	4.6
631.16589	1.4
665.34241	0.5
665.49054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08483	0.2
62.30004	0.2
69.44958	1.0
76.35284	0.2
97.38671	0.2
98.23235	0.6
121.10141	0.2
127.09621	0.2
137.06027	0.5
153.01820	0.3
153.74268	0.2
157.60469	0.2
176.04492	0.5
177.05211	0.2
179.36690	0.2
203.06819	0.3
205.04735	0.8
215.06892	0.2
219.06232	0.2
249.07462	0.5
339.12271	0.4
373.13016	0.3
425.12024	3.1
440.14343	6.6
441.14938	0.9
505.40109	0.2
511.09216	0.2
574.20105	0.2
614.25293	0.2
619.21472	0.7
637.22260	0.4
667.23529	100.0
668.23901	6.6
668.35345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81758	0.4
59.04982	0.4
71.42944	0.3
94.04201	0.5
98.23038	0.4
103.05468	0.7
105.07046	1.4
115.05479	0.4
122.03678	0.9
129.05472	0.7
131.04913	0.9
133.02861	1.2
133.06512	1.1
137.05957	6.3
149.05956	0.5
151.03893	0.4
151.07588	0.4
153.01872	0.5
161.06046	1.3
163.07608	0.8
165.09134	0.5
167.07054	0.4
177.05389	0.4
201.05498	0.7
203.06967	0.8
204.03854	0.4
205.04773	0.8
215.06845	0.4
219.06258	0.4
235.07970	0.3
236.86737	0.3
277.08640	0.5
297.11264	0.4
298.43756	0.3
301.08786	0.4
337.10825	0.7
361.10791	1.1
373.12851	0.4
379.82385	0.4
403.13480	0.4
425.12210	2.7
440.14410	7.0
441.15149	1.0
457.16544	1.1
485.15909	0.5
619.21100	0.6
667.23523	100.0
668.23859	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3293
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
57.03427	1.8
61.02927	4.0
67.05489	3.4
69.03426	2.3
70.60651	1.3
71.42850	1.4
72.75623	1.1
73.02905	2.3
79.05489	2.9
81.03423	3.1
81.07049	2.7
83.05002	1.3
85.02898	5.0
87.16186	1.3
91.05475	3.2
93.07079	1.9
95.08598	1.8
97.02905	1.8
98.23135	1.8
101.02361	2.3
105.07011	2.1
109.81133	1.6
119.08579	1.7
135.11684	2.8
137.05974	1.8
147.04485	2.3
191.52895	1.3
193.12192	2.1
220.40318	1.3
230.74283	1.7
251.12759	1.5
303.09793	1.6
439.19431	5.3
439.89264	1.5
469.20474	7.7
667.32935	100.0
668.33136	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	667.3291
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
55.01862	0.5
55.05507	0.9
57.03426	1.4
61.02917	3.8
63.65567	0.4
64.42509	0.3
67.05501	3.4
67.31998	0.4
69.03421	2.1
69.07055	0.9
69.13777	2.0
71.01353	0.6
71.04985	0.9
73.02915	1.6
79.05480	3.5
80.63454	0.3
81.03398	2.8
81.07032	2.1
83.04960	0.9
83.08624	0.6
85.02888	3.1
85.06579	0.5
88.07569	0.4
91.03959	2.3
91.05490	2.0
93.07028	3.7
95.04984	1.6
95.08598	0.8
97.02884	2.9
97.06522	0.9
97.10170	0.7
99.04443	0.6
101.02396	1.5
101.32538	0.4
105.07051	1.6
107.08583	2.4
109.02876	0.7
109.06548	0.5
109.10116	0.5
117.07001	0.5
119.08591	1.3
121.10095	0.6
123.08086	0.5
125.09638	0.4
127.03915	1.3
131.08577	0.8
133.10159	0.7
135.11693	4.3
145.10127	0.9
147.07990	0.4
147.11670	0.8
149.09648	0.6
157.10107	0.6
165.12822	0.4
175.11258	0.7
181.12257	0.5
183.56239	0.3
185.04247	0.4
193.12297	1.4
211.13315	0.9
221.11433	0.7
221.15279	0.5
243.08353	1.7
251.12479	3.4
255.15782	0.5
264.60303	0.4
270.71997	0.4
274.27386	3.8
275.27850	0.6
284.32132	0.4
285.16895	0.4
307.15207	0.7
389.16769	0.4
419.28021	0.4
428.21521	0.3
439.19327	10.6
447.13086	0.4
469.20395	6.1
469.27020	0.2
505.27505	0.5
636.78326	0.4
667.32886	100.0
668.33154	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	668.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31764	1.3
67.05505	1.7
79.01837	2.9
79.36381	1.5
81.03380	2.3
91.05484	2.2
93.07036	4.2
97.02879	7.6
98.22701	3.6
104.55148	1.4
105.06998	1.8
107.01337	2.2
107.08609	5.7
109.02866	3.9
109.10174	3.8
121.10154	4.3
125.02301	3.5
127.03907	5.7
143.03380	6.8
149.13220	4.3
153.01813	100.0
153.02902	5.6
167.14279	1.7
171.02852	14.7
173.11646	1.8
190.70081	1.7
229.14340	3.8
297.06036	6.5
421.25778	2.5
467.07877	3.8
508.37842	1.7
677.41205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.4
56.10015	4.4
57.03428	11.5
67.05497	65.6
67.51512	4.1
69.07047	4.7
71.04982	5.6
79.05493	8.6
81.03413	47.2
81.07041	12.9
83.08597	17.5
91.05454	15.9
93.07040	9.9
95.04956	14.5
95.08583	5.8
105.07011	11.9
107.08547	4.0
109.10146	62.1
111.08057	4.8
118.01443	4.0
119.08582	11.7
125.09750	4.1
129.06985	5.1
131.08499	5.9
133.10052	5.2
137.05942	5.3
155.10635	4.9
173.11719	17.2
175.11246	5.6
193.12225	20.3
229.14328	89.8
267.15860	84.5
401.93686	4.2
403.24628	9.0
421.25848	100.0
422.25891	5.0
444.05124	4.4
489.63882	4.3
588.87982	5.3
669.33887	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	668.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.05502	14.3
57.03428	16.3
57.07051	3.0
57.22821	2.0
59.04974	3.1
61.02906	2.5
61.93423	2.4
63.50373	2.2
67.05498	80.2
69.03423	5.6
69.07060	14.4
71.04983	4.0
71.42158	2.0
79.05477	19.2
81.03411	63.3
81.07050	36.1
83.04981	6.0
83.08613	21.3
85.02891	9.1
85.06516	2.6
91.05463	24.1
93.07039	32.3
95.04961	23.7
95.08598	50.2
96.14803	2.3
97.02876	8.2
97.06499	4.1
97.10159	5.9
105.07020	30.8
107.04951	5.8
107.08585	50.2
109.06494	5.0
109.10141	97.5
110.10484	2.2
111.08092	12.6
115.05447	2.1
117.07021	9.6
119.08572	54.7
121.06489	3.1
121.10131	29.5
123.08038	2.8
123.11709	7.2
125.09609	20.4
127.03960	2.7
129.06992	5.3
131.08549	23.0
133.06444	5.0
133.10109	33.6
135.08008	4.2
135.11702	15.0
137.09570	6.8
143.08511	8.0
145.10092	31.2
147.08032	2.5
147.11684	23.8
149.09615	6.2
149.13254	11.6
151.07494	2.5
153.09074	2.8
155.10638	9.0
157.10121	12.7
159.11674	26.5
161.09676	2.3
161.13239	15.8
163.11188	6.0
163.14796	8.1
165.09129	2.9
165.12811	3.2
166.69078	2.2
169.10081	2.3
171.11681	5.2
173.11736	18.6
173.13257	22.7
175.11165	9.0
175.14821	21.2
177.12805	4.5
177.16385	23.2
185.13269	4.7
187.14796	32.3
189.12723	3.2
189.16377	22.0
191.14302	20.1
191.17882	10.1
193.12251	19.5
199.14841	7.6
201.16359	34.0
203.14383	10.2
203.17921	20.8
204.18341	2.0
205.15862	36.3
205.19391	4.2
213.16405	8.1
215.17929	11.9
217.15788	5.6
219.17467	7.6
221.15385	7.7
229.14297	84.0
229.19461	2.9
235.16928	5.4
247.16895	11.1
249.18475	5.1
261.18518	7.8
267.15875	85.4
268.16440	5.3
326.02151	2.0
329.20981	2.4
379.33646	3.3
389.31903	6.2
395.33237	4.0
403.24841	11.3
407.32965	45.2
408.33838	3.9
421.25803	100.0
422.26080	6.3
423.32516	5.5
425.34064	16.8
435.32565	24.6
441.33432	3.8
453.33643	26.8
471.34686	6.4
510.22018	2.3
586.33240	2.3
668.32953	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	669.291
Annotation	Agrimol G
Peak:m/z	Relative Intensity
54.77773	0.5
60.05663	0.6
61.33513	0.6
62.06732	0.5
67.05499	1.4
69.82656	2.1
79.05499	1.2
80.67716	0.5
81.07066	1.1
91.05463	1.6
93.07009	0.9
95.04996	0.6
101.00193	0.6
104.23661	0.7
129.07092	0.7
173.32750	0.6
377.17529	0.8
391.19244	1.6
393.20844	2.1
405.17160	2.0
405.21481	1.0
406.17468	1.0
407.17877	0.9
407.22604	4.8
418.17905	1.0
419.18396	4.1
420.19431	1.8
421.20349	3.2
423.21631	1.0
432.19467	0.7
433.20316	13.4
434.21237	6.0
435.21848	6.6
436.22830	0.9
445.20010	0.9
446.21085	1.6
447.22278	1.2
448.23273	0.9
449.19598	7.2
450.20032	0.8
461.18985	0.7
462.20273	1.3
463.21182	3.8
464.22113	1.6
475.21722	0.9
477.22928	0.7
493.22726	0.7
495.23987	1.8
505.22260	1.2
507.19553	0.7
508.20584	0.8
509.21661	1.1
521.26105	6.7
522.22546	3.6
523.23090	3.1
535.23364	0.9
549.24994	4.5
565.24463	1.1
580.26477	1.4
581.27545	1.7
584.14142	0.7
586.89954	0.8
609.26923	15.9
610.27472	1.6
637.25916	0.7
669.29071	100.0
670.29370	6.9
677.14197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32703	0.3
53.03934	0.6
55.01863	0.4
55.05503	0.8
57.03426	2.0
61.02921	4.1
67.05499	5.4
69.03413	2.2
69.07057	1.3
71.01349	0.5
71.04988	2.9
71.41656	0.4
71.58398	0.3
73.02903	2.7
79.05484	3.0
81.03410	2.0
81.07052	1.8
83.05001	0.7
83.08611	0.4
85.02894	4.2
85.06541	0.5
91.03944	2.3
91.05476	2.5
93.07030	3.8
94.04438	0.3
95.04974	0.6
95.08604	1.2
97.02893	3.1
97.06539	1.4
97.10169	0.7
99.04453	0.9
101.02365	1.2
103.03987	0.5
105.07022	0.8
107.08586	2.2
109.02912	0.8
109.10136	2.5
109.83039	0.3
111.08121	0.5
117.07004	0.4
119.08577	1.1
121.06535	0.4
121.10162	0.8
127.03935	1.3
133.10133	0.4
135.11673	4.3
137.09575	1.9
145.05009	0.4
145.10115	1.3
147.11679	0.6
155.10742	0.3
163.11203	0.7
173.11761	1.0
179.45747	0.3
181.12254	0.9
185.04277	0.3
221.11551	0.7
242.58299	0.4
243.08302	2.0
243.15865	0.8
253.14186	1.0
255.15799	0.4
277.14297	0.5
439.19348	9.0
440.19727	0.4
458.66208	0.3
471.22070	6.5
609.31281	0.6
669.34454	100.0
670.34723	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	671.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.6
55.05511	41.9
57.03441	13.2
59.04980	3.4
59.21068	2.7
65.03943	5.3
67.05498	42.2
69.03426	14.1
69.07074	14.8
69.24651	2.1
71.04977	7.3
79.05490	44.1
81.02956	4.8
81.03412	70.5
81.03894	3.5
81.07048	52.7
81.07500	4.0
83.04968	17.1
83.08613	26.6
85.02888	11.7
85.06528	5.7
91.05469	37.6
93.07040	36.5
93.57183	2.5
94.37207	2.1
95.04964	40.0
95.08603	22.1
97.02895	9.6
97.06534	8.0
97.10165	34.6
99.04460	3.0
105.07014	27.6
107.04945	30.3
107.08582	27.5
109.02872	6.0
109.06549	13.9
109.10139	19.1
111.04439	8.3
111.08096	9.0
117.07018	10.3
119.08565	18.8
120.74917	2.0
121.06494	15.6
121.10122	21.5
123.04417	4.6
123.08063	9.9
123.11697	5.0
125.05973	3.4
125.09610	27.8
127.03882	7.4
129.05495	2.5
129.06993	12.8
131.04909	4.6
131.08556	18.9
133.06500	9.0
133.10138	13.9
135.08047	13.2
135.11717	5.8
137.09674	3.7
139.11197	2.7
141.07010	2.6
142.07724	2.6
143.08565	6.8
145.06500	8.8
145.10112	11.6
147.04446	5.7
147.08025	12.3
147.11679	13.4
149.09608	11.4
153.09084	6.5
155.08597	4.7
157.06519	3.5
157.10092	17.8
159.08066	4.2
159.11742	3.7
161.09622	5.2
163.11195	6.6
165.09106	2.9
165.12727	2.5
167.10730	3.5
169.10106	3.7
171.08003	4.5
171.10246	3.1
171.11673	5.4
173.04474	5.1
173.09659	5.4
173.13203	3.7
175.11209	8.6
181.10121	4.2
181.12178	3.0
185.09598	2.9
185.13222	3.2
187.11183	4.3
189.11224	14.7
189.12726	3.0
193.12215	16.9
195.11772	2.7
197.13281	5.8
199.11278	3.8
211.13239	20.1
215.14288	6.7
217.12219	2.6
219.13878	8.0
227.12596	11.6
229.14308	2.9
233.15370	13.0
237.12625	2.5
237.14919	4.1
238.87717	2.0
243.13786	3.0
249.14896	3.0
255.13855	3.1
256.40637	2.1
267.15881	36.1
273.14645	11.0
282.67441	2.6
283.15372	2.9
285.16962	2.8
287.16553	2.5
299.15540	2.8
301.14377	4.0
339.23273	4.8
349.21521	7.2
357.24216	4.6
367.22665	32.1
385.23749	47.7
401.52594	2.1
403.24814	15.6
431.27667	2.6
441.26318	10.6
459.27420	100.0
460.27676	2.9
477.28415	82.2
478.28574	4.7
491.30338	12.0
501.28043	2.7
509.30881	7.2
603.31897	3.7
621.32806	5.2
671.34839	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.5
60.87627	0.3
61.02901	0.5
67.05488	0.5
69.03416	1.2
70.05262	0.3
70.77785	0.6
73.02905	2.2
77.00073	0.3
79.05481	0.3
81.03404	0.5
81.07036	0.4
85.02899	3.2
91.05466	3.4
94.04164	0.5
95.04936	1.2
97.02880	1.3
103.05458	7.0
105.07011	0.7
107.04919	1.2
107.08553	0.4
109.02838	0.5
109.06499	0.9
115.03928	0.6
115.05416	0.7
117.07010	2.8
119.04936	2.3
119.08477	0.3
121.06472	1.3
122.03635	1.6
123.08036	0.8
127.03889	0.5
128.06229	0.9
129.06999	1.8
131.04913	15.7
131.08476	0.5
133.06471	0.8
133.82701	0.3
135.08034	1.1
136.05168	0.6
137.05968	26.2
138.06300	0.4
143.08546	1.1
145.04922	0.4
145.06512	0.5
147.08066	0.5
149.05974	2.2
151.03903	0.5
151.07530	16.2
152.07759	0.6
157.06493	1.4
161.05946	3.3
161.09717	0.3
162.06750	1.9
163.07526	43.5
164.07883	0.6
165.09102	0.8
167.08484	1.8
171.08003	0.8
174.06775	1.2
175.07559	2.9
177.09090	100.0
178.09450	1.8
189.09088	5.0
193.06525	0.8
193.10144	0.8
195.08302	2.8
195.10135	2.6
196.08754	0.3
201.08975	0.4
203.10594	0.7
207.10167	1.1
209.09673	0.7
210.06747	0.4
211.07404	0.4
212.08220	0.4
219.10121	1.1
221.05940	1.4
221.09689	1.1
221.11696	21.0
223.07545	1.2
224.08304	0.6
225.09058	1.3
227.10657	4.4
235.07611	0.3
237.09209	0.7
240.07680	0.4
249.09117	1.2
252.07945	0.5
253.08595	2.4
253.12215	2.5
255.10126	4.2
265.08490	0.6
267.10077	0.8
269.08194	0.4
272.10513	0.6
281.11792	0.7
285.11108	2.8
287.12762	8.2
293.11691	0.4
299.12784	1.2
311.12769	1.8
313.14291	7.9
331.15369	36.1
332.15714	1.4
343.15381	3.4
345.16998	0.7
407.11511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.0
69.03404	0.8
70.50132	1.3
71.04990	0.9
73.02901	2.8
81.03406	0.8
85.02883	3.5
91.05450	3.0
95.04913	1.1
97.02880	1.6
103.05459	5.4
105.07021	1.0
107.04932	1.1
115.03914	0.9
115.05489	0.9
117.06999	2.3
119.04922	2.4
121.06527	1.1
122.03635	1.6
129.05533	0.7
129.07011	2.7
131.03951	1.0
131.04918	13.5
131.08534	1.1
133.06468	1.2
135.08032	1.5
137.05963	25.1
145.06444	1.0
149.05969	2.2
151.03889	0.7
151.07530	19.7
153.01817	2.3
154.02158	0.7
157.06531	2.4
158.07367	0.6
159.08049	0.7
161.05980	3.9
162.06708	1.1
163.07523	47.6
165.06973	0.7
165.09102	1.0
167.08563	1.9
169.06445	0.7
171.08070	0.9
174.06744	1.5
175.07533	4.3
177.09088	100.0
178.09395	2.6
181.06619	0.6
189.09087	9.0
193.10074	0.9
194.35655	0.7
195.08057	3.1
195.10150	2.8
201.09036	0.9
203.10532	1.3
207.08224	0.6
207.10138	1.4
209.09642	0.7
219.10139	16.1
221.06001	0.9
221.09734	0.9
221.11694	26.3
223.07520	2.2
225.09108	1.7
227.10641	5.1
228.76721	0.6
237.11198	0.7
249.08989	1.4
253.08586	2.1
253.12221	2.2
255.10155	6.5
265.08484	0.7
267.10226	0.9
269.08188	0.6
269.11469	0.6
271.74319	0.6
272.10172	0.6
281.11728	1.4
285.11203	3.1
287.12723	9.5
299.12762	1.4
306.03186	0.8
311.12674	3.7
313.14301	7.4
331.15356	39.2
332.15506	1.1
333.02393	0.8
334.02689	0.9
343.15363	4.1
345.16568	1.0
349.05118	1.0
363.07053	4.5
364.07355	7.6
463.19666	0.7
684.36615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01851	0.5
57.03434	2.5
59.04984	0.5
60.04471	0.5
61.02909	1.0
67.05463	0.6
69.03423	7.6
73.02905	3.0
76.16060	0.5
79.05458	1.1
81.03397	0.9
81.07052	0.7
85.02412	0.5
85.02893	9.0
87.04456	3.8
91.05471	6.6
93.07034	0.6
95.04965	2.4
97.02885	6.3
99.04345	0.5
103.05453	8.0
105.07001	1.6
107.04953	2.3
107.08594	0.8
109.06505	0.9
109.10077	0.5
112.48917	0.5
115.03925	5.0
115.05415	1.3
117.06992	2.1
119.04922	5.0
121.06477	1.7
122.03638	2.7
123.04417	0.7
123.08107	0.5
127.03854	1.6
128.06216	0.8
129.06970	3.2
131.04910	18.7
131.08577	0.6
133.04991	3.4
133.06497	0.8
135.08015	1.7
136.05193	0.8
137.05956	39.7
138.06271	0.8
143.08530	1.5
145.04919	0.9
145.06454	1.4
147.04341	0.6
147.07973	0.5
149.05956	4.6
150.07617	1.1
151.03894	1.3
151.07523	32.4
153.01753	1.2
157.06502	3.8
160.05196	0.7
161.05963	7.4
161.09576	1.1
162.06705	1.9
163.07524	54.8
164.07909	0.9
165.06969	1.2
165.09061	0.8
167.08490	3.2
171.08023	0.9
174.06784	2.4
175.07494	5.9
177.09084	100.0
178.07872	0.8
178.09406	1.7
178.81709	0.5
179.08534	0.8
181.06395	0.5
187.07564	1.0
189.09082	10.4
193.06467	1.5
193.10115	1.6
194.07277	0.8
195.08032	6.1
195.10124	3.4
199.03764	0.5
203.08598	0.8
203.10536	1.2
205.04688	1.6
205.10028	0.8
206.07137	0.6
207.08241	0.8
207.10144	1.8
209.07954	0.9
209.09633	1.4
210.06708	0.6
212.08237	1.1
219.08153	0.6
219.10179	1.2
220.08711	0.7
221.05911	2.2
221.09587	2.8
221.11678	28.5
222.11916	0.5
223.07506	2.1
224.08246	1.4
225.09026	2.4
227.10664	10.0
231.08064	0.5
233.09671	0.6
234.06772	0.7
235.07513	0.9
237.09018	1.1
238.09898	0.7
239.07082	0.6
240.07817	0.6
241.08553	0.6
249.09065	2.1
249.11327	1.1
252.07927	0.6
253.08565	4.8
253.12209	4.7
255.10135	8.1
265.08533	1.6
266.09375	0.5
267.10205	2.8
269.08084	1.3
270.08740	0.6
271.13382	0.6
272.10406	2.0
277.08640	0.8
281.11655	2.0
284.10416	1.0
285.11221	6.3
287.12732	16.4
293.11618	1.0
297.11179	1.1
299.12701	1.7
301.14465	0.7
311.12778	3.5
313.14276	12.7
327.15866	0.6
331.15347	84.3
332.15656	2.9
341.13907	1.1
343.15326	12.8
344.15637	1.0
345.16971	1.3
355.15460	0.9
367.15540	0.8
379.15189	0.6
395.06210	0.8
397.16251	0.8
409.16431	1.5
427.17484	0.8
445.18341	0.8
463.19684	1.0
557.98041	0.7
614.38226	0.5
673.24976	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	672.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48469	0.6
55.76322	0.7
57.03420	1.0
61.76757	0.8
69.03410	2.6
69.32967	3.9
72.36589	0.6
73.02920	0.8
79.05483	1.0
81.03424	1.0
81.07051	1.4
85.02897	5.1
91.05463	3.7
92.80224	0.7
93.07045	0.7
95.04974	1.4
97.02882	2.6
98.23485	0.9
98.91164	0.7
103.05467	6.4
105.07050	1.7
107.04979	0.7
107.08568	0.8
108.97197	0.6
109.02865	1.0
109.06503	1.1
109.54006	0.7
115.05468	1.2
117.06977	1.6
119.04932	2.1
119.08561	0.7
121.06491	1.1
122.03645	1.6
123.08069	0.8
129.07007	1.4
131.04907	14.0
131.08530	1.2
135.08069	0.7
137.05968	25.9
145.04968	0.9
145.06476	1.3
149.06009	2.1
151.07520	17.4
153.01872	0.8
157.06398	1.8
161.05969	3.6
161.09589	0.9
162.06747	1.5
163.07521	39.0
164.07831	1.3
165.09070	0.7
167.07088	1.0
167.08563	1.9
171.08047	1.0
174.06731	0.9
175.07523	4.0
177.09090	100.0
178.09444	1.6
187.49068	0.8
189.09091	4.4
193.06529	0.9
193.08449	0.6
195.08051	2.7
195.10101	2.4
203.10622	1.3
207.10141	1.1
219.10223	2.1
220.10477	0.9
221.09669	1.0
221.11691	18.7
223.07446	1.3
224.08276	0.8
225.09018	1.8
227.10570	4.2
229.06453	0.8
237.05408	0.8
253.08582	2.1
253.12253	1.5
255.10107	3.3
265.08493	1.2
267.10001	0.9
269.07965	0.8
285.11252	2.6
287.12714	6.0
299.12775	1.1
311.12701	3.3
313.14285	5.6
331.15366	31.0
332.15720	1.0
343.15509	4.5
416.26883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
51.33378	0.6
53.03937	2.4
55.01862	1.6
55.05506	9.0
57.03430	4.2
57.07076	1.3
59.04995	0.8
61.02911	1.3
65.03931	2.0
65.36208	0.7
67.05497	31.3
68.05818	0.5
69.03416	1.2
69.07060	9.6
69.26327	3.7
71.04982	1.4
73.53688	0.5
77.03911	1.0
79.05486	34.4
79.22249	0.5
81.03424	4.2
81.07048	35.7
83.04975	6.6
83.08611	6.1
84.00790	0.8
85.02885	1.0
85.06548	1.8
91.05471	24.4
93.07036	36.1
95.04954	9.3
95.08595	11.9
97.02888	1.3
97.06512	3.1
97.10169	1.8
98.23516	1.1
99.08050	0.8
105.04514	1.7
105.07018	15.7
107.04959	2.8
107.08584	14.7
107.09763	0.7
109.06499	3.3
109.10161	2.6
111.04368	0.7
111.08074	1.9
117.07011	6.0
119.08575	9.2
121.06522	1.1
121.10143	4.8
123.08049	2.0
123.11705	1.5
127.07537	1.0
129.06995	6.3
131.08563	2.6
133.10109	6.9
135.08028	1.1
135.11653	3.2
138.75337	0.6
143.08551	3.3
145.10159	2.9
146.89078	0.6
147.08028	0.9
147.11661	11.7
149.13225	5.4
159.11684	3.4
161.09592	1.8
161.13231	3.7
171.11676	9.6
177.12706	1.5
184.07294	1.0
187.11215	0.7
189.12755	2.2
195.13751	3.7
207.13795	8.7
225.14790	1.1
250.02231	0.6
267.15753	0.8
269.17447	20.4
281.17438	22.8
282.17908	0.7
475.30518	100.0
476.30817	6.6
673.37695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05499	6.8
57.03431	4.6
60.51968	1.4
62.79801	1.2
64.27557	1.2
65.03938	1.3
67.05501	31.0
69.07066	7.4
71.04985	2.5
71.42718	1.5
77.03934	1.3
78.42413	1.1
79.05483	30.8
81.03425	1.5
81.07052	32.5
83.04985	4.5
83.08602	4.7
85.06556	1.6
91.05473	19.0
93.07034	37.6
95.04958	10.8
95.08586	12.8
97.06516	4.4
97.10189	1.6
99.08066	1.4
105.04546	2.6
105.07008	12.2
107.04948	1.8
107.08582	16.1
109.06460	1.5
109.10172	2.2
111.08083	2.0
112.67033	1.2
116.37943	1.4
117.07011	4.3
119.08608	8.2
121.06499	2.1
121.10146	6.8
123.08053	2.2
129.07002	5.4
129.60037	1.3
131.08559	3.6
133.10161	5.4
135.11700	3.2
143.08563	3.6
145.10152	2.6
147.11664	12.8
147.60591	1.2
149.13213	8.4
159.11679	4.6
161.13232	2.9
171.11664	7.9
177.12784	1.5
181.24471	1.1
189.12714	3.5
195.13834	2.6
196.34190	1.5
207.13808	12.1
213.40349	1.2
246.53174	1.2
269.17450	24.4
281.17441	25.1
475.30502	100.0
476.30771	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	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92513	0.4
55.05505	4.5
57.03430	3.7
57.07071	42.6
58.07419	0.4
61.02921	16.3
61.24378	0.4
67.05497	9.7
69.03404	1.5
69.07063	8.4
69.07404	0.3
69.82099	1.4
71.04990	0.7
71.08624	30.1
73.02899	5.4
75.04466	1.7
79.05477	1.0
81.03414	1.0
81.07049	14.9
83.08614	12.4
85.02893	19.5
85.06537	1.1
85.10173	19.3
89.06026	1.2
91.03947	14.0
93.07010	1.0
95.08597	23.5
97.02885	9.1
97.10172	5.4
99.04444	1.1
99.11702	1.6
103.07554	1.0
109.02867	0.9
109.10146	10.8
111.11706	1.3
115.03906	0.8
123.11690	4.7
125.13282	1.7
127.03900	6.2
137.08847	0.5
137.13217	2.7
139.14748	0.5
141.84348	0.5
141.85519	0.5
145.04939	7.7
151.14734	0.5
163.06007	12.5
165.16385	0.6
213.88329	0.4
221.22676	1.3
221.81296	0.4
239.23668	23.1
240.23984	0.8
257.24741	5.0
298.27451	0.6
313.27328	100.0
314.27795	3.6
331.28391	35.6
332.28787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82584	0.7
53.03930	1.2
55.01858	1.4
55.05505	4.8
57.03435	5.0
57.07072	37.7
61.02632	1.0
61.02919	14.8
66.44228	0.6
67.05496	10.4
69.03423	2.3
69.06487	3.6
69.07060	8.0
71.04962	1.3
71.08624	30.7
72.41471	0.7
73.02912	4.6
75.04475	2.3
79.05466	2.1
81.03416	0.9
81.07054	17.8
83.04992	0.7
83.08616	11.8
85.02898	14.8
85.10169	17.3
89.06032	1.1
91.03952	12.1
91.05479	2.1
93.07018	2.0
95.04946	0.9
95.08598	24.7
97.02881	8.7
97.10162	6.5
99.04461	0.9
99.11725	1.1
103.07526	1.0
105.07015	1.4
107.08559	1.0
109.06460	0.8
109.10147	11.5
109.63524	0.7
111.11721	1.4
115.03889	1.5
117.07024	1.7
119.08566	1.3
123.11684	4.7
125.13241	1.0
127.03871	4.9
131.08563	0.9
133.06488	0.9
137.13234	2.0
145.04967	6.2
145.10161	1.1
151.14804	0.9
163.05992	8.7
221.22679	1.2
239.23674	21.9
257.24707	5.0
264.92050	0.8
291.19449	0.8
313.27325	100.0
314.27820	4.7
316.36282	0.7
331.28394	26.8
332.28601	1.1
409.64255	0.7
475.32590	1.6
489.14798	0.8
629.19061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05034	0.5
58.06599	0.5
58.35207	0.3
60.08157	4.7
63.64981	0.2
67.05495	1.5
69.07059	0.5
71.07368	2.6
79.05473	1.3
81.03407	0.4
81.07047	1.6
83.08600	0.3
86.09695	29.3
87.10049	0.3
91.05476	0.9
93.07021	0.7
95.04955	0.3
95.08583	0.6
98.98447	2.9
104.10734	2.1
105.07008	0.7
107.08591	0.5
109.06570	0.4
109.10120	0.5
117.06995	0.4
119.08560	0.4
124.99989	18.9
125.82384	0.3
131.08554	0.4
140.32300	0.3
145.10133	0.4
181.00975	0.3
184.07320	100.0
185.07675	1.1
291.19492	0.4
520.19861	0.3
672.31152	0.6
672.42010	3.2
673.41376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3402
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
53.03935	0.7
55.01871	0.5
55.05508	1.4
56.87472	0.4
57.03429	1.6
59.04994	1.0
61.02923	3.9
65.86277	0.3
67.05502	6.9
69.03404	2.3
69.07056	0.7
70.93389	0.5
71.04984	1.2
73.02913	3.7
79.05489	2.5
80.65044	0.4
81.03411	4.7
81.07045	3.3
83.04989	1.2
83.08614	1.4
85.02892	4.7
85.06570	0.5
87.04455	0.5
91.03946	2.0
91.05466	2.9
93.07034	2.6
95.04967	2.0
95.08597	1.7
97.02880	4.3
97.06515	0.8
99.04462	0.9
101.02372	1.6
103.03924	0.6
105.04603	0.5
105.07011	2.0
107.04943	1.0
107.08609	1.1
108.30506	0.4
109.02892	1.2
109.06530	0.7
109.10146	5.9
111.04426	0.5
111.08099	0.8
117.06984	0.4
119.08585	1.8
121.10158	1.4
125.06057	0.4
127.03935	1.5
129.07004	1.2
131.08585	1.4
133.10127	1.2
135.11717	0.6
147.11716	1.1
149.09656	1.6
155.10655	0.6
157.10152	1.3
163.11211	0.7
173.11681	2.0
175.11215	1.2
184.07318	0.5
185.04123	0.6
189.11130	0.4
193.12164	2.3
195.09958	0.7
197.15472	0.4
211.13297	1.1
225.14912	0.6
227.12836	0.6
229.14417	1.1
233.11281	0.4
241.14363	0.4
243.08345	2.4
267.15906	1.3
283.15140	4.3
285.16809	0.7
288.81125	0.4
339.17789	0.8
413.17728	10.7
459.27640	1.1
469.20547	0.7
477.28424	1.2
493.27924	0.5
494.85876	0.4
501.23053	10.3
502.23260	0.5
516.07050	0.4
673.33978	100.0
674.34351	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	674.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47136	1.6
53.03942	2.3
54.51427	1.6
55.01863	4.5
63.30692	1.6
69.03414	6.2
71.49973	1.5
73.76997	1.7
79.05476	4.2
81.03400	7.7
85.02901	14.3
87.00809	5.7
88.82361	1.5
91.05469	6.8
91.94392	1.5
93.07037	7.3
95.04952	5.0
95.08633	1.7
97.02883	5.7
97.06487	1.6
99.04475	2.1
103.03934	1.6
103.05466	9.7
105.01833	4.1
105.07021	11.4
107.04951	44.9
109.02863	7.4
112.19324	1.7
112.84708	1.6
115.03937	2.8
115.05413	3.9
119.04948	4.6
121.06507	9.5
123.04426	4.5
127.03883	5.4
131.04926	7.0
133.02834	4.0
133.06458	9.5
134.53754	2.0
135.08040	19.3
137.04991	2.3
137.05971	12.7
145.04935	1.6
145.06487	2.0
147.04356	3.2
148.05258	2.0
149.05963	20.3
150.06696	4.2
151.07530	4.2
161.06013	12.5
161.72530	1.7
163.07530	65.3
164.07881	2.2
166.32602	1.6
167.07034	100.0
175.07439	2.4
177.05467	3.8
179.07007	7.9
180.07730	3.5
181.08580	30.5
187.07588	2.4
189.03960	2.1
191.07051	12.1
193.05127	1.6
193.08572	19.1
195.10158	82.6
195.11952	4.0
197.05984	2.7
203.07030	5.4
205.08566	1.8
211.09634	50.8
213.11226	31.6
229.08565	2.1
233.08101	2.9
257.08051	1.7
278.28073	1.8
279.12271	2.2
291.12292	2.5
303.12488	3.6
305.93112	1.7
321.13263	6.5
373.14786	1.8
441.13956	3.2
459.14917	2.7
675.22296	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	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
55.05508	10.1
57.03432	13.9
61.02910	3.2
61.56818	1.0
67.05493	17.9
69.03422	2.7
69.07055	4.9
69.14586	1.3
71.04983	3.2
73.02912	1.4
79.05489	16.3
81.03409	77.5
81.07047	21.0
82.03738	1.3
83.04969	11.5
83.08604	18.4
85.02898	14.1
85.06541	1.4
91.05471	23.3
93.07043	13.8
93.75948	1.0
95.04960	27.3
95.08611	7.1
97.02887	4.8
97.06537	2.0
97.10169	4.6
98.13815	1.1
98.22682	2.6
99.08087	1.2
102.52068	1.1
105.07020	16.7
107.04950	8.3
107.08577	4.9
107.58411	1.0
109.06520	4.8
109.10143	3.3
111.04403	2.0
111.08056	6.6
115.05442	1.8
117.07007	2.6
119.08573	15.9
121.06509	3.1
121.10112	8.3
123.08064	3.7
125.09631	3.4
129.06990	10.6
131.08534	10.0
133.06480	2.8
133.10117	8.5
135.08084	1.4
137.09683	1.5
141.06947	1.3
142.07755	3.8
145.06435	3.0
145.10133	2.9
147.08018	3.7
147.11665	10.6
149.09596	3.8
155.08586	1.4
157.06525	1.2
157.10106	12.4
161.09641	1.5
163.11198	1.9
165.12842	2.7
175.11172	12.6
193.12221	37.9
211.13254	26.9
211.15112	2.2
223.13097	1.2
249.14673	2.2
255.13770	2.2
267.15891	100.0
268.16129	3.3
269.17508	1.7
273.14841	3.2
283.15341	2.7
285.16934	25.8
309.17001	1.7
342.54266	1.3
349.21490	4.8
367.22705	10.5
385.23691	11.4
403.24908	2.8
415.24506	1.6
433.25671	10.9
441.26303	4.9
459.27380	52.0
460.27676	3.3
477.21439	2.1
477.28439	39.2
478.29141	1.5
519.29492	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72800	1.1
55.01858	4.6
55.05509	12.4
57.03436	14.3
57.78325	1.3
59.04988	1.4
61.02912	4.5
67.05499	22.0
68.50916	1.2
69.03426	4.3
69.07072	7.6
71.04980	4.7
73.02861	1.5
79.05482	24.2
81.03407	77.4
81.07046	30.4
83.01314	1.3
83.04974	11.0
83.08607	22.3
85.02889	12.3
85.06533	2.9
91.05473	25.6
93.07038	17.8
95.04959	28.7
95.08587	8.1
97.02876	4.0
97.06515	5.1
97.10172	2.3
99.04444	1.6
99.08043	1.5
105.07025	19.2
107.04956	8.2
107.08588	9.5
109.06503	6.2
109.10120	2.2
111.04430	2.6
111.08067	9.3
113.05973	1.6
117.06984	3.8
119.08572	14.2
121.06468	3.2
121.10130	10.9
123.08032	4.3
125.09586	2.2
129.06982	10.2
131.08554	9.8
133.06474	3.5
133.10104	7.4
135.08049	1.5
135.11668	4.1
142.07794	1.5
145.06467	3.6
145.10127	5.2
147.08029	4.3
147.11671	8.9
149.09584	4.4
149.13234	1.9
152.08084	1.2
157.06424	1.3
157.10110	12.3
159.11671	2.0
163.11150	4.7
165.12778	1.7
171.07875	1.6
173.09659	1.2
175.11150	11.1
185.63354	1.2
189.11166	1.4
192.40269	1.4
193.12238	28.0
195.13826	1.3
211.13234	19.6
227.12706	1.6
249.14832	2.9
252.23700	1.2
255.13795	1.5
266.53436	1.3
267.15878	100.0
268.16180	3.6
269.17465	11.1
273.14868	3.4
283.15353	22.0
285.16940	19.3
349.21506	2.4
367.22733	11.2
385.23868	7.4
403.24692	2.9
433.25858	8.4
441.26346	4.9
459.27405	47.9
460.27444	2.6
477.28421	71.6
478.28635	4.7
696.09564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
55.05507	12.0
57.03442	10.8
57.07075	1.4
59.04993	1.4
61.02907	2.6
65.03918	1.6
67.05499	28.9
69.03417	1.1
69.07064	11.5
70.66146	1.5
71.04977	3.6
76.57982	0.7
79.05041	1.7
79.05485	25.0
81.03407	7.6
81.07050	39.7
83.01340	3.9
83.04974	8.9
83.08616	11.8
85.02908	4.8
85.06519	1.7
91.03931	1.3
91.05471	13.3
93.07037	35.9
95.04961	5.5
95.08603	9.5
95.86644	0.8
97.02880	2.5
97.06521	7.3
97.10155	1.5
99.04458	1.4
99.08115	1.4
99.53985	0.8
105.04485	1.3
105.07039	6.0
107.04956	5.0
107.08585	18.7
109.06506	5.1
109.10137	1.6
111.04435	2.1
111.08070	3.4
117.07014	7.9
119.08578	4.4
121.06475	2.5
121.10128	11.3
123.08052	3.7
125.09656	1.0
129.06984	1.2
130.07718	0.8
131.08546	5.6
133.10110	3.9
135.08035	1.4
135.10728	1.1
135.11685	9.3
145.10094	8.3
147.11742	1.4
149.13239	14.3
149.62209	1.0
159.11696	6.2
163.11165	14.2
173.09601	1.0
177.12752	2.8
181.12202	2.0
191.10579	1.4
193.12279	0.9
195.13802	6.5
209.11720	3.4
227.12775	2.3
265.14438	1.4
269.17447	53.9
270.17844	2.2
283.15372	41.2
284.15622	1.8
342.48569	0.8
459.27286	2.5
477.28452	100.0
478.28601	7.8
486.41025	1.0
493.34067	1.0
573.74652	1.0
674.35358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46882	1.0
55.01863	5.7
55.05506	15.7
57.03443	6.3
61.02924	5.3
64.95282	1.1
65.03929	2.0
67.05493	33.8
69.03427	3.1
69.07067	8.5
71.04978	3.8
73.02929	1.8
79.05479	22.6
81.03397	11.7
81.07047	33.2
83.04974	9.4
83.08620	9.9
85.02895	8.1
85.06517	1.9
86.09703	2.9
91.03934	1.7
91.05469	23.8
93.07029	21.9
95.04953	17.1
95.08599	10.3
97.02879	5.2
97.06502	5.3
97.10163	10.7
99.04433	2.9
99.08064	1.5
105.04573	1.3
105.07021	19.7
107.04933	8.3
107.08580	18.6
109.02900	1.8
109.06503	4.0
109.10139	14.6
111.04426	5.0
111.08082	4.8
113.74432	1.0
115.43710	1.0
117.07014	7.6
119.08569	9.9
121.02821	1.1
121.06470	5.1
121.10133	7.7
123.04386	1.8
123.08057	4.2
123.11702	1.2
124.99976	2.2
125.09622	9.8
127.03942	1.1
128.06258	1.1
129.06960	4.9
131.04889	1.3
131.08568	10.8
133.06464	2.1
133.10098	14.4
135.08049	4.2
135.11687	8.8
137.05965	1.3
137.09612	2.0
139.11104	1.1
141.06981	1.1
143.08540	4.5
145.06473	4.8
145.10100	12.7
147.08017	3.5
147.11664	4.5
149.09605	4.0
149.13234	1.9
151.11160	4.8
153.01816	1.7
153.09096	3.7
153.12733	3.3
155.08568	2.4
157.06404	1.6
157.10095	3.0
159.08043	2.0
159.11681	2.4
161.06076	1.9
161.09608	2.6
163.11151	9.2
167.08556	1.0
169.10117	2.7
171.07997	1.4
171.10330	1.1
171.11684	2.6
173.09602	3.5
175.11179	2.3
177.12758	2.7
181.10065	1.3
181.12238	2.9
183.11667	1.7
184.07318	8.8
185.09468	1.3
185.13239	2.0
187.11136	1.7
189.09535	1.2
189.11223	3.6
191.10693	3.2
193.12263	4.4
195.11603	1.7
195.13765	1.5
197.13287	2.9
198.45042	1.2
199.11215	1.7
205.15778	1.1
207.11687	1.0
210.35361	1.0
213.12769	1.8
215.14285	1.5
227.12706	5.2
233.15358	4.8
249.14761	1.8
267.15887	4.4
269.17511	6.4
273.14908	1.4
283.15250	9.9
339.23166	2.6
349.21637	2.8
357.24133	4.3
359.40881	1.1
367.22641	13.1
385.23685	23.7
386.24023	2.0
403.24860	5.8
414.18146	1.4
431.27719	2.3
441.26523	2.7
459.27374	100.0
460.27567	5.9
477.28424	87.6
477.33817	1.2
477.35687	1.5
478.28568	6.1
495.29556	6.1
501.22586	1.5
502.23105	2.1
674.34326	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	674.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.9
55.05503	12.5
57.03441	5.9
61.02919	2.9
65.03913	1.3
65.11483	1.2
67.02402	1.0
67.05497	28.1
69.03417	3.5
69.07063	8.0
70.23956	2.7
71.04992	3.5
73.02909	1.7
74.96792	1.0
79.05485	21.1
79.05937	1.2
81.03426	10.0
81.07044	25.0
81.07501	1.8
83.04978	7.0
83.08614	9.0
85.02897	4.7
85.06519	2.0
86.09691	1.4
91.03935	1.5
91.05462	21.7
92.09298	1.1
93.07034	20.4
95.04951	11.3
95.08591	10.8
97.02890	2.5
97.06510	5.3
97.10162	10.1
99.04414	1.3
99.08086	1.4
103.05463	1.2
105.07016	13.2
107.04945	6.6
107.08582	15.5
108.82637	0.9
109.06533	3.8
109.10141	10.4
111.04443	5.3
111.08083	3.5
117.06999	8.6
119.08566	6.8
121.06498	4.0
121.10131	4.4
123.04380	1.6
123.08076	3.6
125.00021	1.4
125.09597	7.3
128.06238	1.0
129.05417	1.3
129.07014	4.0
131.04866	1.8
131.08553	8.1
133.06462	3.4
133.10101	11.8
135.04301	1.0
135.08057	3.3
135.11630	5.1
137.09660	2.8
143.08536	3.2
145.06464	3.1
145.10118	6.5
147.04465	1.4
147.08041	3.7
147.11688	3.0
149.09633	2.4
149.13239	2.0
151.11179	4.1
153.09111	2.6
153.12706	2.7
155.08514	3.1
157.06516	1.6
157.10136	2.9
159.08020	1.7
159.11726	3.1
161.09627	2.8
163.11160	5.4
167.08617	1.4
169.10117	2.0
171.08038	1.6
171.11678	2.3
173.09653	3.2
177.12769	1.5
181.12256	2.6
183.11627	1.2
184.07344	3.7
184.34225	1.2
185.09560	1.8
185.13292	1.1
189.11143	4.9
191.10686	2.7
193.12267	3.1
195.11768	1.2
195.13753	1.4
197.13197	1.1
199.11160	1.5
203.14467	1.2
205.15878	1.5
207.13875	1.4
213.12808	1.7
215.14397	2.5
224.57906	1.0
227.12807	4.6
233.15393	3.4
259.13324	1.0
267.15857	2.6
268.74792	0.9
269.17538	6.6
283.15347	8.2
289.17807	1.5
339.23157	2.9
349.21594	3.1
357.24164	3.9
367.22549	9.9
385.23715	24.9
386.24173	1.5
403.24576	6.0
406.32147	1.1
431.27704	1.8
441.26450	2.8
449.28607	1.3
459.27350	100.0
460.27771	4.6
469.43799	1.2
477.28433	89.4
478.28735	4.7
495.29300	8.4
674.33258	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96460	1.1
54.81201	1.1
55.01875	4.9
55.05504	13.4
55.68771	1.1
57.03435	10.1
57.07049	1.2
61.02930	2.7
67.05502	28.4
69.03422	3.1
69.07056	8.0
70.50375	1.7
71.04990	3.1
79.05481	24.1
81.03413	32.1
81.07051	27.0
83.01339	3.3
83.04976	7.7
83.08609	15.0
85.02888	6.9
85.06557	1.9
86.09714	1.5
90.95837	1.2
91.05472	19.2
93.07037	22.7
95.04963	14.8
95.08611	10.8
97.02887	4.1
97.06496	5.8
97.10179	7.3
97.11005	1.1
98.22778	1.3
99.04459	2.5
105.07015	14.8
107.04973	5.8
107.08590	13.7
109.02921	1.1
109.06532	5.8
109.10155	4.6
111.04423	6.3
111.08062	7.6
115.05421	1.1
117.07018	6.6
119.08578	11.0
121.06487	3.4
121.10110	8.5
123.08073	2.3
123.11687	1.8
125.00083	1.6
125.09628	4.6
127.03917	2.1
129.07007	5.2
131.04965	1.5
131.08557	9.3
133.06476	2.7
133.10114	6.6
135.08052	1.7
135.11699	8.1
137.09593	1.2
137.50690	1.1
142.07684	1.4
143.08548	2.1
145.06476	1.9
145.10104	9.3
147.08069	3.3
147.11682	5.4
149.09634	3.4
149.13200	6.9
153.01833	1.5
153.12752	3.6
157.10143	5.0
159.11684	3.1
160.31064	1.2
163.11131	11.8
165.12741	1.4
173.09581	2.5
175.11224	5.6
177.12706	2.4
181.12206	3.2
184.07350	5.1
187.14781	1.7
191.10669	2.5
193.12212	9.5
195.13878	2.0
209.11673	2.5
211.13251	7.6
227.12798	6.1
249.14948	1.4
267.15887	32.8
269.17441	16.9
273.14877	2.0
283.15363	19.8
285.16913	6.8
367.22626	3.7
385.23602	6.7
403.24768	4.4
433.25742	2.8
459.27371	27.2
460.27725	2.1
477.28433	100.0
478.28714	6.8
495.29453	14.6
519.29681	1.4
674.34454	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	674.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05507	6.4
57.03445	1.1
57.07072	39.1
59.04987	1.4
65.03942	0.9
67.05501	8.5
69.07063	3.9
71.04973	1.0
71.08627	25.6
73.06549	8.6
75.80541	0.8
79.05495	5.9
80.74179	0.8
81.03405	1.6
81.07041	7.3
83.08613	5.3
85.10178	20.2
86.09698	2.7
87.04457	10.6
89.06025	100.0
90.06346	1.1
91.05466	4.9
91.07581	0.9
93.07064	5.1
95.04987	1.6
95.08605	3.3
97.06511	2.4
97.10155	4.4
99.11739	4.1
105.07033	4.2
107.04938	2.1
107.07042	2.6
107.08601	3.7
109.06577	1.1
109.10146	3.0
111.11709	0.8
113.13292	1.3
117.06960	1.2
117.09129	7.9
119.08573	2.1
121.10125	2.7
125.09617	0.9
129.07060	0.9
130.08597	2.3
131.07043	2.9
131.08540	1.7
133.08597	55.5
134.08910	1.3
135.08028	0.9
135.10129	1.0
135.11684	1.2
145.10075	1.7
147.11662	1.4
149.09596	0.8
155.17915	6.2
159.11603	1.4
160.12094	0.8
161.11722	3.1
161.13029	1.1
163.11122	0.9
173.13126	0.9
175.09610	2.4
177.11218	20.4
184.07312	4.4
185.07642	1.1
199.20564	5.8
217.14302	2.1
221.13800	5.1
239.14937	1.6
243.23170	8.2
265.86328	0.9
275.20108	1.8
276.20361	1.1
283.17590	1.8
287.25690	3.9
309.19196	1.0
315.17767	1.0
327.20132	1.6
335.25705	2.3
412.36115	0.8
477.35385	1.0
503.30121	1.0
657.47974	2.0
674.51263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
51.75458	0.2
53.03943	0.5
54.97221	0.2
55.05495	0.5
56.40578	0.3
58.85125	0.2
65.03915	0.3
67.05484	0.6
69.03423	2.5
69.07049	0.8
69.77177	0.2
69.77504	0.7
79.01846	3.0
79.05480	2.1
81.03408	2.9
81.07053	2.1
83.04971	0.9
91.05475	2.5
93.07027	1.1
95.04958	0.6
95.08591	0.5
97.02251	0.4
97.02880	6.0
97.06510	0.3
98.22791	0.5
99.04468	0.3
105.07021	2.4
107.01309	2.0
107.04954	1.5
107.08588	5.5
109.02868	3.1
109.06507	0.8
109.10135	1.5
115.05453	0.5
117.06981	0.7
119.08564	1.1
121.06489	0.6
121.10140	2.7
122.07266	1.6
123.07966	0.3
125.02336	2.9
127.03904	6.7
131.04919	0.5
131.08551	0.7
133.06487	1.0
133.10117	27.2
134.10434	0.7
135.08057	2.4
135.11612	0.4
137.05972	0.8
137.09599	13.9
138.09978	0.3
143.03391	5.4
143.08456	0.3
147.04413	0.3
147.11705	0.4
149.09586	0.5
149.13234	2.7
153.01813	100.0
153.02855	4.3
154.02158	1.7
158.10837	0.3
161.05942	0.4
163.14885	0.3
171.02867	15.5
172.03236	0.4
173.13258	1.7
173.15501	0.2
190.49474	0.2
191.14287	13.1
192.14641	0.4
199.07466	0.2
209.15291	0.7
210.80534	0.2
237.03934	0.3
261.03934	0.4
266.96686	0.3
279.04959	0.8
297.05984	5.5
466.14777	0.3
467.08209	3.5
633.19794	0.3
642.83307	0.3
675.20490	0.6
675.36310	0.3
701.47394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71949	0.4
78.17391	0.4
78.72201	0.3
87.83327	0.4
91.89897	0.4
98.23241	2.5
103.98087	0.4
106.01623	0.4
106.79929	0.4
269.17551	0.5
278.26251	0.4
439.14334	0.4
440.14578	0.5
444.17816	0.6
445.18887	0.8
453.15622	0.6
454.16501	1.6
455.13348	1.1
457.14581	0.7
467.12964	0.7
467.18066	0.5
468.13760	2.3
469.14691	8.2
470.15826	2.4
471.16531	0.6
472.17657	0.9
480.14432	0.7
481.14584	3.0
482.15762	10.0
483.16528	11.3
484.17084	2.1
485.18015	1.4
486.18915	0.5
495.16611	4.3
496.17358	6.1
497.18137	38.2
498.18726	5.8
499.19656	1.4
500.17294	0.5
501.17755	0.7
510.19110	2.1
511.19778	4.6
512.20630	1.1
513.17645	0.8
515.19226	1.9
525.17291	0.5
528.16577	1.9
541.17139	1.0
542.17810	2.3
555.18646	4.7
556.19342	3.4
557.20013	3.1
569.20026	0.6
571.21759	1.0
573.22546	1.0
583.21722	0.7
616.21069	1.4
617.22900	1.0
629.22296	1.0
643.14063	0.7
643.23981	6.5
644.24695	7.5
645.23755	2.3
657.25458	7.0
660.24097	1.7
675.26520	100.0
676.26849	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	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88535	0.2
67.05504	0.3
79.05470	0.4
81.03392	0.3
81.07056	0.5
83.08610	0.3
91.05508	0.2
93.07025	0.3
98.22614	0.4
98.23299	1.0
105.07034	0.2
111.18416	0.2
127.53810	0.2
227.77559	0.2
269.17621	0.7
283.78473	0.2
399.14951	0.2
400.15396	0.3
401.16150	0.3
412.15256	0.4
413.16281	0.7
414.17151	0.4
415.13724	0.3
416.14749	0.4
418.16898	0.2
426.16995	0.8
427.17801	0.5
428.14209	0.3
428.19006	0.3
429.15085	1.1
430.16333	1.1
439.13928	0.4
440.14139	0.4
440.19247	0.4
441.20145	1.5
442.16446	0.3
443.17133	1.1
444.18188	1.5
445.18719	2.3
452.15070	0.3
453.15616	0.8
454.16394	0.8
455.12729	0.4
455.17322	0.7
456.13840	0.7
456.19037	0.3
457.14929	1.7
457.19431	1.1
458.19769	0.5
461.28595	0.4
467.13004	1.0
467.17606	1.2
468.14334	1.2
468.19147	0.3
469.15231	2.4
470.15283	2.0
471.16458	3.4
472.17310	1.5
473.18539	0.5
479.30151	0.7
480.14011	2.3
481.14590	3.0
482.15591	3.2
483.16586	4.9
484.17493	1.6
485.18481	4.5
486.18375	0.6
493.15237	0.4
494.16278	0.4
495.16568	10.4
496.17297	5.4
497.18130	10.8
498.18933	2.4
499.19632	0.9
500.16891	0.7
501.17514	0.5
503.19403	0.4
508.16818	0.2
509.18359	0.5
510.18817	0.6
511.19724	1.3
513.17639	2.0
514.18237	0.6
515.19489	1.0
523.16309	0.4
525.17572	0.4
527.19354	0.7
528.16364	0.4
529.20984	0.8
531.18475	0.5
538.19183	0.3
539.19354	0.4
541.17078	0.6
542.17999	0.8
543.22089	0.2
545.24329	0.3
555.18573	10.1
556.18842	1.7
557.20575	0.9
573.23694	3.1
583.21576	1.0
584.22345	0.5
585.23090	0.8
601.22974	0.6
616.21857	0.4
617.22186	2.7
627.20740	0.7
629.22906	0.5
643.23834	4.6
644.24835	1.2
644.34509	0.3
645.21759	2.7
657.25409	0.7
660.24127	4.1
661.24597	0.5
675.26514	100.0
676.26727	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	676.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01862	2.0
55.05508	6.4
57.03426	4.9
57.70097	1.3
58.32125	1.3
61.02926	9.8
61.82417	1.2
65.03939	1.6
67.05501	9.6
69.03420	2.9
69.07055	3.6
71.04993	1.8
73.02910	4.1
75.00747	1.1
75.04488	1.3
79.05491	7.7
80.61868	1.1
81.03406	93.1
81.07045	9.2
83.04955	4.3
83.08614	24.0
84.63136	1.3
85.02893	9.6
85.06513	1.6
91.03954	7.4
91.05468	10.4
93.07049	5.4
95.04959	30.5
95.05527	2.3
95.08593	3.8
95.09165	1.3
97.02866	6.9
97.06533	2.3
97.10147	1.5
99.08097	1.4
105.07024	11.5
107.04942	6.7
107.08598	4.1
108.84143	1.2
109.06515	3.5
111.04424	1.5
111.08056	13.2
117.07007	2.2
119.04937	1.6
119.08591	8.8
121.06509	4.2
121.10152	5.8
123.04444	4.2
123.08075	2.9
124.31037	1.1
127.03918	4.8
129.06987	8.8
131.08562	10.2
133.06483	4.6
133.10147	5.3
135.11655	1.6
136.07529	1.8
137.05989	2.4
137.09624	1.4
145.04951	2.9
145.10120	1.5
147.04343	2.2
147.08023	3.5
147.11641	7.6
149.05986	1.8
149.09605	6.6
153.01781	1.9
154.04976	1.3
155.08525	1.1
157.10126	13.5
163.06017	7.9
163.07306	1.7
163.11218	3.5
164.07121	1.5
173.09601	2.0
175.11185	11.5
182.08200	1.6
183.08620	1.3
187.11267	1.4
193.12218	70.4
194.12550	2.3
207.01614	1.4
207.13722	1.8
211.09676	1.7
211.13203	5.9
235.13272	4.1
249.14955	1.5
259.13376	1.8
267.15866	44.0
268.16226	1.5
273.15100	1.5
285.16931	100.0
286.17343	2.8
301.14343	2.3
309.16919	19.2
351.17834	2.3
359.22018	4.4
363.17902	6.0
373.13898	2.5
375.17795	3.4
377.23425	1.5
387.21570	1.6
393.18826	4.6
411.20132	4.2
423.69693	1.4
428.28879	2.2
429.21231	9.3
443.27960	2.6
461.28757	2.1
528.16125	1.2
591.25714	1.5
654.03979	1.2
682.16821	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01862	3.4
55.05508	18.5
57.03434	15.8
61.02921	4.1
65.03945	1.4
67.05499	44.1
69.03425	5.0
69.07062	16.2
69.34091	1.2
71.04980	6.4
73.02918	1.7
77.03885	1.4
79.05038	2.8
79.05486	42.1
81.03411	55.2
81.07048	60.3
83.04969	17.7
83.08611	25.2
85.02898	19.8
85.06531	4.4
85.46889	1.2
91.05470	31.9
93.07037	45.3
95.04951	25.3
95.08597	18.9
97.02880	5.1
97.06507	8.5
97.10159	3.1
99.08092	3.0
105.07018	18.9
107.04950	4.0
107.08582	25.1
109.06503	5.7
109.10152	3.2
111.04411	2.8
111.06220	1.5
111.08072	11.0
113.06002	3.4
117.07022	4.8
119.08576	15.0
121.06536	2.0
121.10120	17.1
123.08044	1.6
123.11670	2.3
129.07027	9.0
131.08556	12.7
133.06496	2.8
133.10107	11.2
135.11671	4.9
142.07753	1.8
145.10043	1.5
147.08018	1.6
147.11667	15.5
147.31326	1.4
149.09621	3.8
149.13242	19.4
157.10123	10.9
159.11664	11.1
165.12727	2.1
175.11159	9.8
177.12758	5.1
193.12209	33.2
194.12560	1.9
195.13747	7.6
211.13266	49.7
214.04095	1.2
267.15894	31.1
269.17438	69.5
270.17752	1.7
285.16931	41.8
307.34277	1.5
435.27411	2.0
461.28931	65.0
462.29144	3.7
479.29990	100.0
480.30344	5.3
676.26715	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	676.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
55.01862	7.9
55.05504	37.4
57.03428	24.5
57.07058	2.2
59.04996	2.7
61.13263	1.6
64.87437	2.2
65.03950	3.7
67.05498	76.2
69.03424	3.7
69.07056	17.1
71.04977	5.6
71.42219	1.9
73.02906	2.4
73.17770	1.8
79.05483	35.5
81.03408	100.0
81.07045	40.7
83.04987	10.9
83.08605	27.1
84.59557	1.8
85.02880	12.2
85.06543	3.5
87.04467	3.3
87.09043	1.6
91.05466	38.7
92.05756	1.8
93.07030	21.8
95.04948	36.1
95.08596	14.4
97.02870	4.6
97.06534	5.6
97.10162	14.5
99.08080	2.7
103.03953	1.9
105.07020	23.6
107.04951	13.3
107.08582	17.8
109.06500	7.1
109.09417	3.4
109.10143	55.3
110.10516	2.7
111.04407	2.1
111.08060	8.0
115.05425	2.3
117.07018	6.0
119.08569	20.1
121.06483	7.3
121.10117	10.7
123.04401	1.9
123.08105	3.6
125.09639	9.7
127.60799	2.0
129.06982	9.4
131.08536	12.0
133.06482	3.0
133.10165	8.5
135.08113	2.4
135.11684	4.9
137.09608	5.8
143.10612	1.8
145.10127	6.6
147.04413	4.3
147.08060	5.1
147.11673	8.5
149.09610	8.1
153.09120	2.5
153.12717	4.3
155.08488	2.7
155.10643	2.4
157.10100	12.2
159.11693	2.7
161.09583	2.4
163.11208	9.4
165.12776	2.6
173.09612	3.7
173.10402	2.0
173.11723	15.0
173.13181	3.7
175.11151	10.9
178.16072	1.9
181.12204	3.9
184.07344	3.5
189.11238	4.6
191.10599	3.3
192.20966	1.9
193.12222	28.7
199.13280	4.2
209.11589	3.8
211.13177	6.4
219.13779	3.3
227.12730	9.9
229.14331	39.8
230.14667	3.0
231.13762	3.1
232.20657	2.1
249.14635	5.0
259.13367	4.5
267.15875	89.1
268.16113	2.9
273.18573	4.8
283.15375	4.7
285.17184	2.0
301.16449	7.8
363.21515	2.4
365.21036	2.0
383.22220	3.5
399.23563	13.6
401.23209	4.1
403.24701	2.1
409.25430	2.6
421.25827	18.3
442.37732	2.3
458.26440	7.6
459.27325	3.9
475.26910	5.0
476.27539	7.3
493.27863	6.0
511.28940	2.6
518.32227	4.2
585.02295	2.2
591.35022	6.5
677.35590	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	676.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03107	5.0
55.01870	12.4
55.05506	21.9
57.03417	8.7
57.21956	5.4
67.05486	38.0
69.07062	41.5
69.56842	7.4
69.57184	18.1
79.05481	46.0
81.03421	30.2
81.07041	65.2
83.04985	12.0
83.08608	13.8
86.09708	19.2
91.05476	52.3
93.07041	44.6
95.04965	19.5
95.08600	29.9
97.06515	30.8
97.10203	8.5
98.98483	11.4
105.07027	58.0
107.04941	11.3
107.08595	20.0
109.06493	6.3
109.10176	7.6
113.09608	5.3
117.07004	15.0
119.08607	31.0
121.10146	14.3
124.99994	17.9
131.08577	24.4
133.10118	28.5
135.11682	8.0
143.08531	6.4
145.10069	15.7
147.11671	20.1
149.09644	11.6
157.10124	5.7
159.11671	17.9
163.11159	10.1
179.14233	9.1
184.07306	85.6
219.17459	7.8
221.09296	6.6
239.17879	5.5
257.18945	12.8
267.15833	9.0
269.17563	11.9
275.20032	100.0
293.21127	5.9
329.28342	5.8
349.23737	39.6
363.63232	6.5
504.37820	31.4
505.38147	11.2
529.34991	23.6
543.36884	45.7
544.36646	7.9
575.63623	6.6
623.42737	21.0
671.11121	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	676.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05507	7.9
57.03440	3.4
57.07079	2.1
60.08173	8.0
67.05502	10.6
69.07072	8.8
71.07365	5.0
79.05502	10.1
81.03390	3.3
81.07060	10.7
83.08614	6.1
86.09698	30.0
91.05460	13.7
93.07029	10.6
95.04979	3.6
95.08624	2.3
97.10171	4.5
98.98476	6.8
105.07020	10.3
107.04900	1.8
107.08615	5.8
109.10147	3.8
117.07024	3.0
117.29579	2.1
119.08567	7.5
125.00005	21.0
125.09638	2.2
129.06937	2.9
131.08556	5.3
133.10124	5.0
136.06187	1.9
145.10147	3.3
147.11732	3.7
159.11655	2.2
161.13303	2.4
164.82515	1.6
165.98062	1.7
184.07321	100.0
223.13217	2.5
259.20511	5.7
267.15863	1.7
291.19504	14.1
333.24136	2.9
504.37292	6.1
505.38480	2.7
623.43359	2.7
676.45410	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	677.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.3
51.02376	0.9
51.91491	0.2
51.92835	0.2
53.03944	0.5
55.05507	0.7
67.05497	1.7
69.03423	1.2
69.07057	1.3
70.78364	0.3
71.04984	0.3
79.01849	3.9
79.05489	0.4
81.03408	2.7
81.07050	1.8
81.31039	0.2
82.79266	0.2
83.04956	0.8
83.08614	0.6
85.06517	0.3
87.00805	0.2
91.05473	0.4
93.07041	1.0
95.08601	2.5
97.02885	7.3
99.04448	0.5
105.07034	0.5
107.01316	1.9
107.08572	2.2
109.02869	3.9
109.06499	0.9
109.10147	8.9
111.07937	0.3
119.08578	3.6
121.10139	1.1
123.08033	1.4
123.11706	0.8
125.02337	3.8
127.03904	7.9
133.10109	1.7
135.00754	0.3
135.11684	8.6
137.09589	1.3
139.11183	0.2
143.03387	5.8
145.04993	0.2
149.13252	0.7
151.11160	0.9
151.14796	0.6
153.01814	100.0
153.02863	4.6
154.02171	1.6
171.02875	18.0
175.14818	3.8
184.07416	0.4
193.15866	5.4
199.14917	0.2
211.16937	3.9
213.03790	0.2
233.04440	0.3
249.01306	0.2
261.03848	0.5
277.99585	0.3
279.04996	0.8
297.06039	5.5
388.94891	0.2
411.28998	1.0
429.30069	0.4
467.08203	3.5
548.60724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27290	0.3
53.03943	0.6
55.05504	1.5
57.03431	1.3
57.07051	0.3
61.02924	3.5
67.05499	6.6
69.03419	2.8
69.07056	2.0
73.02908	2.3
79.05487	6.2
81.03406	1.3
81.07051	8.0
81.18606	0.3
83.04995	0.7
83.08628	1.0
85.02905	4.2
91.03957	2.6
91.05473	4.2
93.07032	6.4
95.04984	1.4
95.08600	3.7
97.02884	3.8
97.06551	1.0
99.04476	1.1
101.02383	1.5
105.07008	2.2
107.08594	2.9
109.10163	1.9
115.02058	0.4
117.07032	1.4
119.08553	2.0
121.10159	2.0
123.08066	0.4
123.11710	0.6
127.03927	1.4
129.07005	0.8
131.08594	0.8
133.10152	1.0
135.11655	1.7
143.08528	0.6
145.04948	0.4
145.10156	1.2
147.11661	1.8
149.13229	2.7
159.11740	0.9
161.13229	0.8
163.14961	0.4
171.11661	0.7
173.13213	0.5
185.04102	0.5
187.14821	0.5
235.13168	1.0
243.08340	2.4
243.21150	0.9
247.13081	1.2
261.22147	3.8
269.17514	0.6
281.17444	0.4
303.15781	0.7
335.25845	1.1
353.26813	0.7
433.46649	0.4
453.20908	8.0
465.20862	7.1
515.29688	0.6
677.34985	100.0
678.35468	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	677.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05508	1.4
57.03428	1.3
61.02923	3.9
67.05490	4.4
67.23513	0.3
69.03409	2.7
69.07069	1.5
71.04997	0.9
73.02911	2.7
79.05482	4.3
81.03405	2.6
81.06573	0.5
81.07046	5.7
83.04975	0.7
83.08617	1.1
85.02885	3.7
87.10264	0.3
91.03941	2.2
91.05478	3.7
93.07028	5.2
95.04958	1.7
95.08581	2.0
97.02888	3.6
97.06530	0.7
99.04443	0.6
101.02375	1.3
105.07031	2.2
107.04948	0.6
107.08564	2.5
109.02876	0.9
109.10167	1.0
111.08112	0.5
115.03957	0.4
117.07037	1.1
119.08611	1.1
121.10159	0.8
127.03931	1.0
129.07043	1.0
131.08569	0.7
133.10127	1.6
135.11717	0.8
141.38173	0.3
143.08618	0.8
145.10146	0.6
147.11713	1.4
149.13295	1.2
159.11742	0.6
161.13220	0.3
164.51910	0.4
171.11728	0.4
183.74309	0.4
189.12799	0.5
195.13867	1.0
235.13126	0.8
243.08473	1.5
247.13158	1.3
269.17438	0.6
291.15607	0.4
303.15814	0.5
385.46155	0.4
447.27344	0.4
448.27911	1.5
453.14673	0.5
453.20831	7.3
465.20840	6.9
677.34949	100.0
678.35449	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	677.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05602	0.9
51.08779	0.8
55.01857	1.5
55.02138	0.9
55.05502	3.0
56.42678	0.9
57.03427	1.9
61.02932	0.9
67.05496	6.2
69.03426	4.5
69.07063	9.6
71.04985	2.2
71.07365	1.0
73.02928	1.1
79.05502	5.3
81.03397	4.4
81.07061	7.7
83.08601	1.0
85.02900	8.4
86.09702	6.1
87.00823	3.9
91.05479	8.0
93.07049	9.1
94.06549	1.4
95.04932	1.9
95.08599	8.3
97.02877	3.5
98.00115	0.9
99.04486	1.9
103.05513	1.5
105.01847	6.8
105.07026	8.9
106.06533	2.2
107.04937	1.3
107.07331	7.0
107.08578	9.0
109.02881	3.3
109.06503	3.9
109.10140	9.3
111.08051	1.0
117.07001	4.0
119.08543	6.7
121.06521	2.5
121.10110	2.6
122.09661	43.1
122.10547	2.3
123.08081	1.1
123.11658	1.0
125.00032	5.0
127.03905	7.1
128.06180	1.5
129.07004	3.1
131.00137	1.1
131.08575	6.9
133.06493	1.4
133.10147	6.8
135.08031	1.7
135.11621	2.0
136.07578	2.0
137.05977	2.3
142.07753	1.6
143.08582	4.6
145.04990	2.5
145.06444	1.1
145.10110	11.1
147.08025	3.8
147.10699	1.0
147.11659	4.8
148.11159	1.9
150.09134	8.8
153.01804	1.9
155.08565	3.1
156.09268	0.9
157.10066	2.9
159.08087	2.0
159.11722	6.0
159.17384	1.0
161.09595	3.1
161.13240	1.1
164.07088	2.8
167.08577	1.6
169.10107	2.5
171.08012	2.7
171.11656	4.0
173.09662	5.0
173.13239	6.4
175.11168	3.0
176.10684	3.1
181.10063	4.4
183.08032	1.5
183.11671	4.0
184.07341	22.3
185.07814	1.3
185.09445	1.8
185.13223	5.0
187.11255	1.6
187.14922	1.5
188.27185	1.1
189.09099	3.5
189.16479	1.1
191.08276	1.2
191.10666	4.1
195.11742	2.6
197.09569	1.2
197.11696	1.1
197.13213	4.6
199.11130	1.9
199.14833	3.7
201.16302	1.3
204.10187	6.1
207.11708	1.9
209.11487	1.8
209.13274	3.9
210.10550	1.1
211.11160	2.2
211.14917	2.2
213.12717	4.4
221.13261	2.1
223.11145	1.4
223.14816	2.4
225.12732	3.1
227.14352	2.4
227.18008	1.2
228.05151	1.9
232.12535	1.3
237.16365	3.6
239.14288	2.7
243.07640	4.5
243.13699	1.5
247.14960	1.1
249.14699	1.2
255.17438	3.3
255.21063	3.5
256.18005	1.0
258.09842	1.4
261.08710	4.1
263.13959	1.0
265.15833	4.1
265.19589	1.1
269.15350	1.7
273.18597	1.4
283.16980	13.5
283.20309	1.4
284.17413	1.3
287.06583	19.4
287.16449	3.8
289.08118	1.1
301.17969	52.0
302.18448	4.2
311.20206	1.5
313.08325	1.1
315.19626	1.3
327.19501	1.2
329.21069	4.2
331.09079	1.2
337.21594	2.4
341.21387	1.4
343.22559	1.7
353.21115	1.7
355.22681	7.6
375.26718	2.4
393.27844	8.6
396.26495	1.6
411.28891	100.0
412.29337	5.8
422.16956	1.3
424.14951	8.1
425.15738	1.4
429.24460	1.7
429.29971	27.9
430.30408	1.9
464.18130	1.7
482.18890	4.4
490.15869	3.0
492.17285	1.4
520.20465	1.7
553.61969	1.1
599.24982	2.5
627.24390	7.6
677.31000	2.1
678.35486	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72409	0.2
55.05506	0.4
57.03438	0.3
67.05492	0.8
68.05863	0.2
69.07057	0.2
69.58257	0.2
79.05482	0.4
81.03418	0.6
81.07058	0.7
83.08626	0.3
88.07621	0.3
91.05473	0.5
93.07041	0.2
95.04971	0.4
95.08569	0.2
97.10178	0.2
105.07018	0.3
107.04966	0.3
109.10141	0.4
110.10516	0.2
117.07021	0.2
119.08517	0.2
125.00002	0.2
129.54181	0.2
131.08588	0.2
133.10126	0.3
147.11737	0.3
149.02312	0.2
157.10052	0.2
159.25298	0.2
185.04260	0.7
188.49918	0.2
193.12279	0.3
229.14375	0.2
256.26349	0.4
259.08124	0.3
267.15952	0.5
268.16431	0.2
282.78979	0.2
347.09436	0.9
353.26678	0.3
461.50641	0.2
515.31860	18.2
516.32062	1.2
546.71356	0.2
677.37054	100.0
678.37421	7.0
678.49164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
57.03434	0.7
57.07068	0.5
59.04980	0.4
66.92876	0.3
67.05498	1.6
68.05815	0.4
69.03450	0.3
69.07062	0.6
70.06590	0.5
71.04958	0.4
77.32097	0.3
79.05485	0.8
81.03415	1.1
81.07050	1.4
87.57800	0.3
88.07636	1.2
91.05479	1.3
93.07037	0.9
94.07345	0.3
95.04963	0.6
95.08621	0.7
102.09172	0.7
104.69330	0.4
105.06994	0.8
107.04958	0.5
107.08580	0.5
109.10131	0.7
110.95666	0.3
115.61078	0.3
117.69474	0.3
119.08629	0.4
120.19277	0.3
121.10093	0.4
131.08560	0.6
133.10110	0.6
149.02333	1.0
185.04196	0.5
193.04912	2.2
203.05316	1.2
206.29018	0.3
217.66150	0.3
256.26324	3.7
259.07928	1.5
347.09564	1.3
365.10425	3.4
421.13217	0.7
435.57816	0.3
448.30701	0.4
515.31824	22.5
516.32233	0.6
677.37061	100.0
677.55365	2.9
678.37506	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01875	1.2
55.05500	9.2
57.03432	4.6
57.07074	2.3
58.28244	0.8
58.29222	0.9
61.02919	13.1
65.03932	2.3
67.05498	48.2
69.03429	3.6
69.07059	7.9
71.04982	2.0
73.02911	7.1
79.05482	26.8
81.03434	2.4
81.07047	50.7
83.04980	2.2
83.08633	4.9
85.02891	13.9
85.06534	2.5
91.03947	10.8
91.05473	15.8
93.07036	36.1
95.04963	3.4
95.08594	36.7
97.02861	6.5
97.06532	3.8
97.10164	2.1
99.08097	1.3
101.02398	1.5
105.07016	9.6
105.09604	1.0
107.08580	21.7
109.02874	1.2
109.10141	18.8
109.38882	1.1
111.08051	1.8
111.11680	1.1
117.07015	5.2
119.08581	10.3
121.10133	21.1
123.08120	1.5
123.11705	8.3
125.09637	1.1
127.03927	4.3
129.06992	1.3
131.08543	9.8
133.10106	7.4
135.11685	14.8
137.09610	1.6
137.13237	3.4
139.11130	1.6
145.04977	3.8
145.10110	7.4
147.11653	6.0
149.13245	12.3
151.11229	1.2
151.14835	1.6
159.11665	7.8
161.13271	6.9
163.06003	4.8
163.11118	1.0
163.14783	9.3
163.29626	0.9
165.12859	1.3
173.13257	10.3
175.14821	1.3
177.12756	1.5
177.16417	2.4
179.14285	1.1
187.14796	4.7
191.14320	1.2
199.19978	0.9
201.16499	1.3
205.15892	1.9
219.17308	1.0
233.22687	1.7
243.08443	0.9
243.21068	16.9
243.23387	1.0
246.43958	0.9
256.26276	1.1
261.22107	45.7
262.22598	1.3
279.23285	3.0
301.21228	1.0
335.25742	17.1
353.26813	13.3
359.72015	1.1
382.40842	1.0
401.25110	0.9
453.20871	6.6
465.21198	6.1
497.31204	2.3
677.34973	100.0
678.35632	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	678.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.05024	0.7
56.91383	0.1
57.03439	0.1
58.06622	0.5
60.08156	6.7
64.09750	0.1
65.37591	0.1
67.05481	0.5
69.03384	0.1
69.07073	0.1
71.07367	3.6
79.05479	0.3
81.03416	0.5
81.07038	0.3
83.04964	0.2
83.08627	0.2
85.02901	0.4
86.09696	33.0
87.10016	0.3
91.05476	0.7
93.07034	0.3
95.04957	0.4
95.08590	0.2
97.02869	0.2
98.98449	3.6
104.10728	2.8
105.07035	0.5
107.07317	0.1
107.08582	0.1
117.07037	0.1
119.08557	0.4
122.09630	1.1
123.10058	0.1
124.99988	22.2
129.06972	0.2
133.10089	0.4
143.01022	0.2
147.11729	0.1
150.09184	0.1
151.11118	0.1
153.01859	0.1
161.09595	0.1
175.11194	0.2
179.10687	0.1
184.07318	100.0
185.07678	1.0
193.12190	0.2
211.13231	0.2
229.45380	0.1
241.56482	0.1
253.14073	0.1
261.08652	0.2
271.15384	0.2
285.16956	0.2
287.06647	0.4
288.06946	0.4
299.73630	0.1
391.82352	0.1
425.15366	0.1
445.25784	0.2
463.26892	0.4
468.23276	0.2
481.27728	0.5
628.24561	0.3
660.34882	0.2
678.35974	7.7
679.36322	0.6
699.27911	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01867	11.8
55.05254	1.9
55.05502	24.1
57.03432	25.0
57.07074	2.7
58.49685	1.4
59.04976	1.3
61.02917	6.2
65.03928	2.0
67.05495	61.7
68.05825	1.5
69.03419	5.0
69.07059	18.9
71.01324	5.6
71.04995	7.4
73.02897	4.4
77.03885	1.3
79.05484	58.0
80.06252	1.3
81.03407	23.8
81.07047	36.2
82.03735	1.2
82.04196	2.7
82.07365	1.8
83.04967	17.5
83.08613	11.1
84.02077	1.6
85.02899	7.5
85.06520	5.2
86.09706	3.4
87.04436	1.5
91.03948	2.2
91.05468	30.4
93.07034	58.1
94.07333	1.5
95.04948	23.3
95.08595	11.8
97.02890	5.2
97.06517	17.5
97.10161	20.0
98.07307	5.0
99.04458	1.4
99.08102	2.1
105.04495	3.6
105.07007	15.3
107.04932	6.2
107.08582	36.8
108.08906	1.7
109.06499	5.4
109.10145	13.7
111.04430	1.5
111.08080	7.1
115.05453	1.3
116.04707	8.0
117.07001	8.0
119.08571	13.3
121.06460	2.8
121.10126	11.2
123.08038	4.8
123.11671	2.3
124.99980	2.3
125.09612	12.5
129.05482	15.4
129.06990	5.1
131.08536	5.3
133.06352	1.2
133.10115	12.4
135.08063	2.4
135.11673	63.0
137.09598	3.7
143.07036	3.8
145.10107	14.5
147.08067	2.2
147.11687	5.0
149.09590	3.3
151.11171	3.1
153.12756	4.2
157.08591	10.0
157.09959	2.7
158.05725	1.3
161.09612	1.9
163.11171	12.5
169.25008	1.3
171.06512	3.6
171.10178	1.6
173.09624	1.5
173.11662	3.7
175.11136	2.7
181.12221	16.7
184.07315	12.0
185.11618	1.3
189.11211	3.2
191.10680	1.3
193.12213	5.0
199.13315	10.6
200.14090	1.4
209.11725	6.6
211.13286	3.8
225.11298	1.2
227.12759	10.9
253.14284	7.0
254.14650	3.4
255.15880	100.0
256.16302	3.2
265.14130	1.3
267.15851	10.0
268.16238	1.6
269.17490	5.5
271.15350	3.7
271.18173	1.3
283.15375	9.5
285.16779	2.4
301.16415	37.9
302.16806	1.3
309.16943	2.6
379.24692	3.2
383.47107	1.5
392.84937	1.2
397.25876	3.4
409.25748	10.5
437.29059	4.2
447.27338	8.0
463.26208	9.7
464.27408	10.9
474.65298	1.3
481.27798	94.1
482.28482	4.6
628.23279	1.8
679.33020	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	678.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01848	3.6
55.05499	5.9
57.03434	5.9
61.02906	2.1
65.03941	1.1
67.05495	20.8
69.03439	3.8
69.07059	6.0
71.04979	2.8
71.54583	0.8
74.69012	0.8
79.05482	13.3
81.02959	1.4
81.03411	21.5
81.07049	20.4
83.04980	7.6
83.08606	9.4
85.02897	8.8
85.06509	2.5
91.03946	1.1
91.05470	24.0
93.07037	12.5
95.04955	10.3
95.08608	3.9
97.02871	2.1
97.06492	3.1
97.10167	1.7
99.04453	2.0
105.04408	0.8
105.06348	1.3
105.07019	20.2
107.04939	2.3
107.08586	15.4
109.06509	4.8
109.10143	29.0
111.04408	1.3
111.08063	3.5
113.06007	2.6
115.07560	0.8
117.06996	1.7
119.08578	7.4
121.06463	0.8
121.10129	3.4
123.08026	1.4
123.11698	6.4
125.00095	0.7
127.07517	2.3
129.07004	4.6
131.08553	3.4
133.06456	0.9
133.10114	37.2
134.10471	0.9
135.11670	1.0
137.09587	0.9
145.10069	0.8
147.07988	0.9
147.11694	6.3
149.09589	1.5
150.09430	0.7
151.11157	19.0
157.10094	4.5
161.09631	1.5
169.12204	4.2
175.11154	4.2
184.07358	3.2
193.12207	16.1
197.11711	0.8
197.60396	0.7
211.13254	33.4
212.13583	1.0
215.12758	2.2
230.92557	0.9
253.14317	100.0
254.14674	3.7
255.15729	0.8
267.15826	5.5
271.15353	24.3
285.16943	19.2
286.17407	0.9
288.06592	0.8
318.51703	0.8
371.22208	0.8
389.22803	1.1
400.62521	0.8
418.62531	0.8
445.25854	7.0
453.20993	1.8
463.20374	0.6
463.26730	16.2
464.26770	1.1
480.63138	0.8
481.27893	52.5
482.28098	2.0
495.16275	0.9
527.00409	0.8
614.34314	0.8
625.85138	0.9
628.24860	1.0
679.32843	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	678.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
53.11211	0.9
55.01866	2.2
55.05511	10.4
57.03440	11.4
57.07071	2.0
59.04998	1.9
60.08159	0.9
61.02923	6.5
65.03930	1.5
67.05500	68.4
69.03432	4.7
69.07071	15.3
69.72406	2.8
71.01360	2.6
71.04990	17.2
73.02917	4.0
79.05489	33.1
81.03415	13.5
81.07053	62.1
82.07375	2.0
83.04980	8.5
83.08607	11.7
85.02885	6.3
85.06536	6.8
86.09678	1.5
87.04459	1.2
87.57853	1.0
91.03951	3.6
91.05473	24.2
93.07038	44.2
95.04955	8.7
95.08599	10.8
97.02910	4.5
97.06522	11.2
97.10185	5.9
99.04436	1.3
99.08089	2.9
101.02387	1.6
105.04575	0.9
105.07029	10.8
107.04944	2.7
107.08586	27.1
109.02868	1.8
109.06504	2.0
109.10147	24.2
111.08099	5.2
117.07011	5.4
119.08569	9.2
121.06477	1.0
121.10136	12.1
123.11701	7.8
125.00003	1.1
127.03912	1.8
129.07021	1.3
131.08554	6.8
133.10100	9.2
135.11693	24.6
137.09631	3.3
145.10129	5.4
147.11676	1.5
149.09677	0.9
149.13252	9.4
151.11211	3.2
153.12755	1.6
155.10666	1.1
157.10101	1.3
159.11711	7.3
163.11211	3.9
169.12242	1.3
173.11751	3.0
175.11098	1.7
177.12708	2.2
181.12247	3.7
183.13815	1.5
184.07362	4.8
187.13269	1.2
193.12239	2.1
195.13824	4.1
198.08931	0.9
211.13213	1.1
225.14824	0.9
233.15294	2.2
237.82065	1.0
243.08170	1.2
255.15857	11.5
267.15848	2.5
269.17471	13.1
287.18573	5.1
301.19968	5.4
307.18936	1.7
423.27383	56.2
424.27551	2.7
437.29041	8.7
449.28952	100.0
450.29428	6.0
451.19293	4.3
463.30215	1.9
469.20322	3.8
481.31586	40.1
482.31580	2.7
499.30679	3.2
507.63913	1.0
678.34503	2.9
679.32916	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	678.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	52.7
57.03429	19.0
57.07074	28.0
67.05494	88.2
69.07063	39.4
69.16924	61.2
71.08630	31.4
79.05492	74.5
81.03410	24.5
81.07043	90.8
83.08627	22.7
85.06528	12.3
85.10179	10.5
87.04478	11.2
89.06030	63.5
91.05476	100.0
93.07034	82.1
95.04960	24.0
95.08587	54.6
97.10139	11.5
105.07027	94.3
107.04939	12.0
107.08585	37.3
109.10151	33.1
117.07018	21.4
119.08578	61.2
121.06519	31.5
121.10148	30.9
129.06993	19.2
131.08557	38.9
133.08585	44.7
133.10083	47.8
135.08037	10.6
135.11687	24.2
145.10149	33.0
147.11711	28.4
149.09653	13.6
155.08578	12.7
159.11682	22.1
161.13284	22.8
163.11188	13.8
169.10085	15.9
171.11681	10.7
184.07281	11.6
205.41782	10.4
205.50903	9.7
241.19386	16.4
248.82581	10.0
255.15904	13.2
259.20551	19.0
291.23047	17.9
333.24280	17.7
361.25531	11.7
410.17474	10.2
506.39059	19.6
527.37207	14.8
678.28229	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	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	50.3
56.60197	5.2
57.03424	19.2
57.07063	12.3
60.08166	5.8
60.37733	4.2
65.03949	8.2
66.29268	3.9
67.05163	7.9
67.05499	95.4
69.07060	40.1
71.04993	6.5
71.08614	15.4
79.05482	74.3
81.03403	12.8
81.07051	90.8
83.04949	7.7
83.08608	19.8
85.06535	6.9
86.09696	20.3
89.06026	23.8
91.05475	84.1
93.07035	89.5
95.04964	28.9
95.08595	58.1
97.06526	6.7
97.10162	11.2
104.50099	4.5
105.04488	4.4
105.07024	91.4
107.04955	7.0
107.08592	52.2
109.06510	14.1
109.10156	24.8
111.08101	5.3
115.05487	7.1
117.07006	31.0
118.19635	4.3
119.08557	65.9
121.06480	8.6
121.10106	22.6
123.08090	7.4
123.11676	5.6
124.99992	19.7
125.09673	6.7
128.06203	7.0
129.07043	22.8
131.08556	43.1
133.08589	17.8
133.10127	39.7
135.08076	5.4
135.11703	23.1
137.09596	7.6
141.06966	7.2
143.08600	22.0
145.10109	31.8
147.08026	6.1
147.11665	24.5
149.09589	10.0
149.13263	7.9
155.08522	9.7
156.09190	5.3
157.10085	18.9
159.11667	18.6
161.13283	12.5
163.11115	6.7
167.08546	6.4
169.10109	10.5
171.11684	22.3
173.13289	14.8
175.14844	4.7
177.11243	8.7
181.10095	6.1
183.11673	13.8
184.07330	100.0
185.07654	5.3
185.13278	12.1
187.14786	10.6
195.11670	5.5
197.13361	8.6
199.14786	6.7
209.13254	7.5
228.76720	5.6
241.19588	9.0
255.15837	7.1
259.20462	23.7
269.17502	9.1
275.19968	13.4
291.23291	9.1
315.23169	5.9
333.24155	21.3
349.23700	6.8
485.32526	5.6
506.38516	8.3
513.35358	12.6
527.37164	19.2
533.49402	5.1
545.38208	6.7
607.43365	8.4
625.43842	12.4
678.46588	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	678.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79912	6.9
55.05503	35.5
57.03432	12.0
57.07071	9.3
67.05494	87.3
69.07066	43.8
71.08620	12.2
76.72922	7.3
78.93436	6.8
79.05487	84.1
81.03405	17.7
81.07061	100.0
81.61575	6.5
83.04958	10.4
83.08596	14.8
85.10130	9.1
87.04446	10.5
89.06009	32.0
90.98773	8.9
91.05473	79.2
93.07037	83.8
95.04935	20.1
95.08593	67.3
95.17042	8.3
97.06523	17.4
105.07020	75.5
107.08592	46.5
109.10138	22.9
111.08060	14.7
117.07019	28.1
119.08536	55.4
121.06445	7.6
121.10129	27.9
123.08109	8.4
123.08970	8.8
127.68664	7.7
129.06999	16.3
131.08571	22.1
133.08609	18.4
133.10141	50.7
135.08044	10.7
135.11681	24.9
143.08487	14.8
145.10080	30.4
147.11658	26.0
149.09514	11.8
149.13222	10.4
150.56247	7.0
157.10121	12.9
157.77171	7.2
159.11664	25.5
161.13239	11.6
163.11108	11.7
169.10062	9.0
171.11644	16.4
173.13260	11.6
177.11313	11.4
183.11707	8.4
184.07344	47.8
225.16344	7.2
241.19452	14.9
247.20595	10.1
259.20462	32.6
269.17563	11.3
275.19928	19.7
291.19687	8.9
291.23062	9.3
333.24133	17.5
349.23666	9.5
506.39120	13.3
527.36932	26.0
613.43152	9.2
625.44116	13.5
679.41870	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	679.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14293	0.5
57.28084	0.5
69.14058	1.7
69.14462	2.2
79.01620	1.1
79.05508	1.2
82.00327	1.0
83.63660	0.7
91.05505	1.1
93.07050	0.7
95.01102	0.6
95.36148	0.7
103.05468	1.2
105.07041	2.5
107.08588	0.7
111.26314	0.5
114.09225	1.1
118.04172	0.9
119.04943	1.7
123.24756	0.6
127.00062	1.4
133.06517	2.7
135.08099	0.8
137.06004	2.2
139.03749	0.8
139.61690	0.7
141.05269	1.6
147.04411	0.9
150.06792	1.5
151.07584	1.7
153.01703	2.1
161.06009	1.3
165.09166	2.2
167.07053	1.1
175.07578	0.6
181.22850	0.6
185.04222	1.0
188.48161	0.6
189.05292	1.6
193.08601	6.0
199.05840	1.1
202.06067	1.8
203.05347	1.3
205.08478	0.7
211.09543	2.8
212.04752	2.5
213.05180	1.4
217.82019	0.6
219.06218	3.3
225.05618	0.6
227.05229	1.3
228.07393	0.7
234.08612	24.7
235.09384	3.3
243.04770	1.6
245.06284	3.4
253.03264	1.6
255.06686	1.9
256.06821	0.9
258.05341	1.6
271.04291	3.3
273.07623	7.1
274.07913	5.3
287.03699	2.1
287.09088	3.0
288.09531	2.3
289.05295	11.3
383.14676	5.6
399.14240	0.6
413.15744	2.3
424.38522	0.6
431.17075	2.3
469.18719	0.7
470.18890	2.7
571.97748	0.8
593.21832	4.2
635.23047	54.4
636.23352	3.1
679.22052	100.0
680.22272	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	679.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35460	0.5
69.07035	1.2
69.07440	2.2
70.06612	0.9
71.23451	0.4
74.06052	0.7
79.01602	1.2
79.05499	0.9
82.00333	0.7
91.05470	1.4
94.89902	0.5
95.01092	0.7
98.23434	1.1
104.07059	0.6
105.07018	3.4
107.04935	0.8
113.02128	0.6
118.04116	0.6
119.04927	1.6
127.00005	1.3
131.80507	0.4
133.06479	2.4
135.08028	1.0
136.32143	0.5
137.06010	2.9
139.03658	1.1
141.05222	1.6
144.24423	0.5
147.04407	1.0
150.06764	1.3
151.07576	1.6
153.01740	2.3
161.05986	1.3
165.09126	1.9
167.07063	1.3
179.07002	0.7
181.04860	0.7
185.04233	1.5
189.05284	1.6
189.09076	0.8
193.08577	6.6
199.05923	0.7
202.06000	2.2
203.05183	1.0
211.09569	3.7
212.04494	2.6
213.05269	1.0
219.06212	3.9
223.03981	0.8
227.05293	1.7
227.07172	0.8
233.07863	0.6
234.08589	28.6
235.09389	2.6
237.24084	0.5
243.04803	2.0
244.07083	0.7
245.06409	2.2
248.54485	0.5
253.03279	1.3
255.06604	2.4
256.06985	1.8
258.05124	1.0
259.05780	0.8
271.04208	4.9
273.07532	7.2
274.07901	5.1
287.03809	1.9
287.09058	3.5
288.09418	2.8
289.05255	12.1
356.34958	0.6
372.15790	0.5
383.14615	4.7
395.29913	0.7
413.15695	2.1
431.16751	3.1
469.18781	1.0
470.18909	2.8
593.21857	4.4
635.22968	57.3
636.23254	3.1
679.21948	100.0
680.22321	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	679.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35460	0.5
69.07035	1.2
69.07440	2.2
70.06612	0.9
71.23451	0.4
74.06052	0.7
79.01602	1.2
79.05499	0.9
82.00333	0.7
91.05470	1.4
94.89902	0.5
95.01092	0.7
98.23434	1.1
104.07059	0.6
105.07018	3.4
107.04935	0.8
113.02128	0.6
118.04116	0.6
119.04927	1.6
127.00005	1.3
131.80507	0.4
133.06479	2.4
135.08028	1.0
136.32143	0.5
137.06010	2.9
139.03658	1.1
141.05222	1.6
144.24423	0.5
147.04407	1.0
150.06764	1.3
151.07576	1.6
153.01740	2.3
161.05986	1.3
165.09126	1.9
167.07063	1.3
179.07002	0.7
181.04860	0.7
185.04233	1.5
189.05284	1.6
189.09076	0.8
193.08577	6.6
199.05923	0.7
202.06000	2.2
203.05183	1.0
211.09569	3.7
212.04494	2.6
213.05269	1.0
219.06212	3.9
223.03981	0.8
227.05293	1.7
227.07172	0.8
233.07863	0.6
234.08589	28.6
235.09389	2.6
237.24084	0.5
243.04803	2.0
244.07083	0.7
245.06409	2.2
248.54485	0.5
253.03279	1.3
255.06604	2.4
256.06985	1.8
258.05124	1.0
259.05780	0.8
271.04208	4.9
273.07532	7.2
274.07901	5.1
287.03809	1.9
287.09058	3.5
288.09418	2.8
289.05255	12.1
356.34958	0.6
372.15790	0.5
383.14615	4.7
395.29913	0.7
413.15695	2.1
431.16751	3.1
469.18781	1.0
470.18909	2.8
593.21857	4.4
635.22968	57.3
636.23254	3.1
679.21948	100.0
680.22321	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	679.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50480	0.5
53.03940	0.5
55.01857	0.9
55.05510	1.8
57.03428	2.5
58.20747	0.5
61.02924	5.3
67.05502	6.1
69.03425	3.7
71.04993	1.3
73.02914	3.3
78.51255	0.5
79.05490	4.1
79.86220	0.5
81.03416	10.5
81.07052	4.9
83.04972	1.3
83.08616	2.1
85.02907	7.1
87.75418	0.7
91.03933	2.9
91.05479	5.7
93.07051	3.0
95.04968	4.0
95.08630	2.1
97.02878	4.1
97.06561	0.8
98.43118	0.6
99.04458	0.8
101.02367	1.7
105.07019	4.0
107.04267	0.6
107.04955	1.4
107.08609	2.1
109.10170	1.7
111.08073	1.5
114.06397	0.6
117.06996	1.4
119.08578	3.5
121.10176	1.3
127.03929	1.9
129.06996	1.0
131.08585	2.4
133.10138	2.4
135.11728	1.3
145.10143	1.3
147.11710	2.3
149.09636	0.9
154.35323	0.6
157.10168	1.8
160.39925	0.6
175.11169	1.4
190.87970	0.6
193.12201	2.8
196.43309	0.6
211.13289	0.7
233.15396	1.6
243.08464	1.9
251.12415	0.6
267.15997	2.4
276.62024	0.6
307.18954	1.1
406.07205	0.6
424.27841	1.3
434.30472	0.6
449.29300	1.0
450.29562	2.9
451.19403	5.5
469.20410	8.7
482.32047	1.4
490.31750	0.7
499.30685	2.8
511.88156	0.6
679.32941	100.0
680.33215	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	679.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98010	1.3
54.90565	1.2
55.05503	1.5
57.03456	1.2
58.90300	1.2
61.02926	4.5
67.05499	3.4
69.03432	2.1
70.30835	1.9
70.31150	1.3
71.04977	1.3
73.02906	3.8
79.05502	2.2
81.03414	2.3
81.07063	5.0
83.04958	1.8
83.08614	1.7
85.02898	4.9
91.03951	2.6
93.07048	3.8
93.77670	1.3
97.02882	3.8
100.11287	2.8
106.77323	1.5
107.08636	1.4
121.10121	1.8
127.03878	1.5
145.10030	1.6
149.13252	2.0
150.64616	1.5
171.00836	1.4
209.16580	1.9
210.14873	2.6
322.49423	1.2
355.55582	1.7
453.20929	9.3
467.18958	3.9
613.11749	1.5
679.32947	100.0
679.51471	4.0
680.33447	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	679.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01863	0.6
55.05503	1.6
57.03434	2.2
61.02924	5.0
67.05502	3.4
69.03416	3.0
69.07070	0.8
70.66343	0.5
71.01345	0.5
71.04977	0.7
73.02914	3.8
79.05476	3.6
81.03413	9.4
81.07055	4.0
83.04974	1.3
83.08620	2.2
85.02900	5.5
91.03935	2.9
91.05464	4.1
93.07042	2.8
95.04976	3.5
95.08611	1.5
97.02892	4.5
97.06556	0.8
97.10209	0.5
99.04459	0.9
101.02374	1.9
105.07005	2.7
107.04973	1.0
107.08591	1.6
109.02825	1.0
109.06538	0.7
111.04415	0.5
111.08076	1.0
115.03880	0.5
117.07021	1.5
119.08575	2.4
120.80502	0.4
121.10150	0.9
122.27512	0.4
127.03919	1.6
129.06990	0.9
131.08513	2.0
133.10143	1.6
135.11705	0.6
145.10098	1.0
147.11682	0.9
149.13315	0.5
157.10127	1.0
163.11217	0.9
173.09441	0.4
175.11169	1.0
184.07361	0.6
193.12167	2.4
203.05435	0.5
211.13336	1.0
219.45717	0.4
231.24738	0.4
233.15479	1.1
236.20389	0.4
239.09840	0.4
243.08447	1.6
251.12444	0.7
267.15939	2.4
307.19113	1.3
451.19446	5.3
453.21027	2.7
467.18826	3.8
469.20358	2.1
499.30560	1.7
627.25244	0.5
661.36957	0.5
679.32904	100.0
680.33270	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	679.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29175	1.2
55.05508	1.8
61.02918	2.8
67.05485	2.9
68.28774	1.1
69.03413	2.8
69.87227	2.6
73.02901	3.2
74.53093	1.1
75.62106	1.0
79.05476	1.4
80.39439	1.1
81.03400	2.7
81.07061	2.6
83.04935	1.2
83.08586	1.2
85.02891	4.1
91.03951	2.6
91.05477	1.8
93.07024	3.6
95.08591	1.5
97.02889	3.0
100.11218	5.5
103.26820	1.3
105.07023	1.3
107.08611	2.1
131.04919	1.1
137.06038	1.9
163.11140	1.2
182.15382	2.0
186.82376	1.3
209.16512	2.0
210.14955	2.8
243.08463	3.4
353.77490	1.4
453.20975	6.6
467.18921	5.2
630.04272	1.2
679.32941	100.0
679.49475	6.9
680.32959	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	679.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09898	0.5
50.94667	0.5
51.34252	0.4
55.01862	0.9
55.05504	2.0
57.03422	2.3
59.04982	0.5
61.02925	5.6
61.68600	0.5
67.05506	2.9
67.76419	0.4
69.03427	3.0
69.07068	0.5
70.67094	0.6
71.05006	0.7
72.64338	0.4
73.02919	3.6
79.05487	2.1
81.03406	9.6
81.07050	2.6
83.04992	0.9
83.08607	2.7
85.02894	5.2
91.03949	2.9
91.05460	3.1
93.07045	1.8
95.04970	3.6
95.08624	0.9
97.02888	3.6
97.06489	0.5
99.04465	0.8
100.11287	0.7
101.02401	1.4
105.07029	2.7
107.04940	1.0
107.08595	1.7
109.02868	0.7
109.10138	0.9
111.08049	1.0
115.05431	0.5
119.08601	1.7
121.06543	0.6
121.10159	1.3
127.03899	1.0
129.07050	1.0
131.08614	1.6
133.06503	0.7
133.10170	1.3
135.11667	0.8
139.49367	0.5
142.07765	0.7
142.98331	0.4
143.08607	0.7
145.10106	0.6
147.08054	0.5
147.11691	1.3
149.09564	0.8
151.07503	0.7
155.52586	0.5
157.10147	1.1
159.11890	0.5
175.11217	1.9
193.12207	4.0
205.86975	0.5
211.13173	1.1
243.08469	1.6
251.12497	3.9
267.15945	1.5
451.19327	8.0
452.19412	0.6
464.30667	0.7
469.20483	4.0
470.48242	0.5
679.32782	100.0
680.33130	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	679.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01869	1.5
55.05506	7.4
57.03432	1.3
57.07074	1.1
64.69648	0.7
65.03928	0.9
67.05498	10.6
68.99785	0.7
69.03425	6.4
69.07063	16.2
71.04963	1.0
75.55589	0.9
77.03954	0.9
79.05481	8.8
81.03404	3.7
81.07053	18.7
83.04969	1.6
83.08608	7.9
85.02892	11.1
85.06535	1.5
87.00822	3.7
91.05470	8.9
93.07038	19.2
95.04948	3.5
95.08601	34.3
97.02886	3.7
97.06532	2.3
97.10169	1.9
99.04453	1.6
99.08067	0.9
100.07600	1.4
100.11253	15.5
105.01868	6.0
105.07023	12.9
105.43913	0.8
107.04937	1.4
107.07846	0.9
107.08025	0.5
107.08581	23.1
109.02864	2.8
109.06513	3.0
109.10143	28.9
110.10521	1.2
111.04432	1.7
111.08089	1.8
117.07011	2.7
117.13799	1.0
119.08582	11.4
121.06479	3.1
121.10130	19.2
122.09647	2.0
123.08057	3.4
123.11683	5.9
124.07646	0.9
127.03900	7.8
127.11220	1.4
128.06212	1.5
128.07101	1.9
129.07016	3.0
131.04979	1.3
131.08559	13.9
133.06477	2.4
133.10100	7.6
135.08063	2.7
135.11676	5.4
137.05942	1.9
137.09654	1.1
139.07539	1.6
140.07091	1.3
141.07007	0.9
142.07761	2.0
143.08553	9.3
145.04959	3.3
145.10103	11.8
147.08043	3.2
147.11685	7.5
149.09619	2.9
149.13242	3.0
151.11172	1.5
153.01822	3.1
155.08556	5.0
156.09375	1.1
157.06537	1.1
157.10109	11.1
158.10811	1.0
159.02899	1.0
159.08043	6.8
159.11682	7.7
161.09625	3.4
161.13283	2.6
163.11165	1.3
169.10109	4.8
171.08066	2.1
171.11705	7.4
173.09630	5.9
173.13237	5.9
175.11179	6.2
175.14732	1.3
177.16331	4.5
177.79613	0.8
181.10117	3.3
182.15364	4.7
183.11693	5.5
184.07304	1.2
184.12541	1.6
185.09624	2.2
185.13289	5.3
187.11208	2.7
187.14838	3.2
189.12689	1.1
191.10689	1.0
195.11665	4.2
197.13274	4.5
198.10342	0.9
199.11131	3.3
199.14818	11.8
201.12766	3.9
201.16345	2.0
207.11755	2.5
209.13266	4.1
209.16464	4.8
210.14877	7.0
211.11128	1.6
211.14789	4.0
213.12733	5.3
213.16254	1.0
215.14409	2.9
221.13271	1.9
223.14816	2.4
224.15674	1.1
225.12712	2.4
225.16299	4.0
227.14342	3.5
227.17801	1.2
229.15881	2.0
231.04964	1.7
231.13696	1.7
233.15337	2.0
235.14668	1.4
237.12886	1.2
237.16187	1.5
239.14252	1.6
239.17883	2.2
240.18661	1.1
241.15894	1.7
243.17380	1.4
245.15309	2.0
247.16934	2.1
249.16408	1.6
251.14276	1.3
251.17937	2.7
253.15852	7.2
255.17375	1.4
255.21149	3.2
257.18863	2.1
259.16928	2.2
261.18433	3.5
263.17990	1.8
265.15799	1.2
267.17462	6.8
268.18179	4.5
269.19092	4.0
271.16864	17.0
272.17291	0.9
273.18594	2.1
279.17328	1.5
281.19046	1.7
283.16910	1.9
285.18469	28.4
286.19208	23.9
287.20013	4.9
289.17932	14.1
290.18362	0.9
291.17618	1.3
291.21042	1.1
295.20410	1.6
297.18579	1.3
298.19171	1.1
299.19986	2.1
301.18039	1.1
302.18710	1.4
303.20859	1.8
307.20511	1.9
311.20056	4.2
313.21725	4.2
321.22098	4.8
325.21524	5.4
326.22302	5.3
327.23218	5.0
339.23172	14.7
340.23438	1.2
357.24246	6.6
377.28430	5.5
380.26794	1.3
395.29407	100.0
396.29840	5.5
413.30444	82.9
414.30807	5.3
431.31567	23.4
432.31985	2.1
625.33575	1.0
629.01404	0.9
643.35193	1.0
661.35364	1.5
661.49469	3.1
679.37268	4.8
679.50763	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	679.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61471	0.5
53.03928	0.5
55.01852	0.9
55.05509	3.5
57.07054	0.6
67.05495	5.5
69.03444	2.5
69.07063	9.3
71.04969	0.6
76.64776	0.4
79.05479	3.2
81.03373	1.8
81.06622	0.7
81.07049	7.5
81.77752	0.5
83.04936	0.8
83.08590	1.6
85.02892	5.1
87.00800	1.5
91.05471	3.5
93.07030	7.2
95.04935	1.6
95.08028	0.9
95.08595	11.0
97.02855	1.8
97.06510	1.0
97.10158	0.9
99.04443	1.1
100.11237	3.7
105.01849	2.4
105.07013	6.0
107.08057	0.4
107.08586	4.8
109.02839	1.7
109.06510	0.6
109.10150	13.5
111.08092	1.2
111.11673	1.3
115.05394	0.6
117.07018	1.9
119.08567	8.0
121.06486	2.3
121.10137	3.1
123.08031	1.0
123.11668	1.9
127.03902	3.1
127.11146	1.6
128.06168	1.1
129.06976	1.9
131.08566	4.8
133.10117	4.5
135.08089	1.0
135.11647	2.5
137.13232	0.7
139.07455	0.6
141.06964	0.9
142.07735	1.4
143.08537	4.7
145.04892	1.9
145.10118	8.2
147.08023	1.5
147.11671	2.9
149.09613	0.6
149.13237	1.3
155.08562	3.6
156.09242	0.5
157.10112	5.4
159.02844	0.6
159.08038	1.6
159.11670	3.6
161.09601	2.5
161.13243	1.3
163.11192	0.7
163.14711	0.6
165.07172	0.5
165.08998	0.5
167.08543	1.1
167.14470	0.5
169.10071	2.7
170.10873	1.0
171.08066	1.1
171.11653	4.5
173.09610	5.3
173.13193	3.5
175.11217	2.9
175.14795	1.6
179.08574	1.2
181.10100	1.6
182.15382	1.8
183.11676	4.1
184.12367	0.7
185.09599	1.8
185.13225	3.2
187.11150	1.8
187.14771	1.1
189.12656	0.9
191.10635	1.5
193.10123	1.7
193.12178	0.7
195.11655	2.0
196.12436	0.5
197.09554	0.8
197.13277	4.1
198.14018	0.6
199.11102	2.3
199.14827	4.0
201.12714	1.9
201.16357	1.0
206.10880	0.7
207.11639	1.3
209.13235	3.5
209.16507	0.9
210.14914	1.4
211.11133	1.6
211.14822	1.2
212.11835	0.8
213.12718	1.7
213.16318	0.6
215.14278	1.4
217.15776	0.7
219.11639	1.0
221.13162	1.7
223.11130	0.5
223.14853	2.4
224.15565	1.2
225.12691	1.5
225.16284	1.1
227.14214	2.4
229.15947	0.6
231.04962	1.4
233.13123	0.6
233.15332	1.6
234.14160	0.7
235.16913	0.5
237.16309	1.3
239.14311	1.1
239.17892	4.4
241.15872	1.6
242.62091	0.5
245.15350	1.0
247.16931	1.7
249.05960	1.0
249.16284	2.3
251.14149	1.0
251.18031	1.3
252.15099	0.9
253.15895	1.2
253.19449	0.7
255.17363	0.6
255.20975	2.3
257.18973	1.4
259.17148	0.9
263.16135	0.8
265.15848	1.3
265.19583	0.5
267.17419	16.6
268.17966	2.1
269.15332	1.1
269.19101	1.2
271.16849	1.6
273.18451	1.4
277.19461	0.9
279.17349	1.2
281.19012	1.2
283.16971	1.2
283.20560	0.5
284.17737	0.9
285.18457	82.6
286.19116	8.4
287.19919	2.4
295.20523	1.8
297.18405	1.6
299.20044	1.7
303.21039	0.8
307.20697	0.7
311.20102	3.0
311.23209	0.6
312.20853	1.9
313.21597	2.8
319.24127	0.7
321.21991	3.3
325.21597	1.9
326.22342	1.9
327.23267	1.1
337.21506	0.9
337.25235	2.2
339.23163	8.8
349.28992	0.5
352.24149	0.6
377.28406	4.1
395.29407	100.0
396.29776	4.5
413.30457	47.9
414.30768	2.5
431.31580	9.0
448.34122	0.5
661.50519	0.7
679.37177	1.7
679.50958	4.3
682.32336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
55.01862	0.7
55.05501	1.4
57.03420	1.2
61.02914	0.3
69.03413	1.0
69.07037	0.3
70.31973	0.6
70.32312	0.4
73.02906	2.0
78.13593	0.2
79.01840	3.4
79.05505	0.5
81.03399	0.6
81.07050	0.5
83.04961	0.4
83.08606	1.3
85.02892	0.7
91.05480	2.3
93.07021	0.8
94.04140	0.4
95.04954	1.0
95.08575	0.6
97.02885	1.4
100.07596	0.5
100.11249	5.3
101.11596	0.4
103.05457	11.7
103.17602	0.3
105.04479	0.2
105.07023	2.3
107.01291	0.8
107.04927	2.3
107.08572	0.3
109.02858	0.3
109.10126	0.3
111.04436	0.6
115.03927	0.9
115.05461	0.6
117.07037	0.4
119.04916	1.7
119.08553	0.4
121.06506	0.6
122.03635	1.1
125.02344	2.0
127.03896	0.4
128.06187	0.7
128.07065	0.5
129.06989	0.4
131.04915	22.9
131.08548	0.4
132.05464	0.3
132.63712	0.2
133.04935	0.6
133.06464	1.2
133.10136	0.3
135.08020	0.6
137.05960	16.3
143.03378	5.3
143.08540	0.5
145.06422	0.4
145.10068	0.3
147.04408	2.5
147.11647	0.3
149.05989	0.8
149.09641	0.3
151.03874	0.4
151.07529	1.9
153.01808	100.0
153.02847	4.4
154.02121	1.3
154.12202	0.4
156.13904	0.3
157.06473	0.7
157.09988	0.3
159.07994	0.5
160.05142	0.4
161.05945	4.4
161.09586	1.7
162.06676	0.8
163.07520	24.3
164.07950	0.5
165.09134	0.4
167.03372	0.5
167.06937	0.3
171.08110	0.6
174.06760	0.4
175.07506	3.6
177.01801	1.2
177.05415	1.5
177.09109	1.1
179.07039	1.6
182.15384	2.2
189.09079	3.6
191.07014	0.6
193.10269	0.3
194.07208	0.3
201.09229	0.2
203.07077	0.6
203.10663	1.1
205.08499	0.4
209.16466	1.9
210.14848	2.9
211.07344	0.3
211.15240	0.5
219.08086	0.5
219.10121	2.5
221.09741	0.4
222.06757	0.3
225.09064	0.6
228.03989	0.2
235.07594	0.2
239.10522	0.2
245.24837	0.3
250.09663	0.3
253.12236	0.6
265.08469	0.6
267.09991	0.4
281.11633	0.5
285.11267	0.7
293.10092	0.5
297.11447	0.5
301.07086	0.8
308.97443	0.3
311.12708	0.3
313.14273	1.8
325.14380	0.6
331.08020	0.5
331.15417	0.4
336.22845	0.3
343.15305	1.5
359.11169	10.3
360.11349	0.4
360.15393	0.4
371.11304	0.4
373.12790	0.6
413.30325	0.6
414.30826	0.6
432.31924	0.6
483.16440	9.4
484.16406	0.5
601.47534	0.3
661.49255	0.5
662.50079	0.3
679.38251	0.9
679.50842	5.1
680.38312	1.2
680.51111	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	680.509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66932	7.8
53.08034	9.4
55.05500	25.9
57.03426	12.6
67.05507	93.3
69.07057	37.9
69.13132	55.8
69.82263	7.3
79.05484	73.3
79.61398	10.3
81.07050	100.0
83.04968	14.5
83.08617	16.8
88.88152	8.8
88.98288	8.2
91.05456	50.7
93.07032	74.3
95.04960	13.4
95.08589	69.2
97.10105	13.3
104.86734	9.3
105.07017	40.1
107.08585	46.2
109.10146	26.9
117.07001	21.2
119.08559	44.1
121.10126	29.4
131.08542	20.6
133.10107	36.9
135.11659	22.9
145.10101	19.5
147.11649	18.7
149.13232	23.7
157.10188	10.7
159.11681	15.8
161.13234	18.0
168.51649	8.8
173.13225	15.5
184.07216	10.8
201.69171	9.8
205.15492	8.8
229.14484	11.7
241.19342	10.3
241.62566	9.5
259.20578	11.9
261.21786	9.8
269.17365	15.9
275.20087	19.6
277.06705	8.8
306.49774	9.0
317.10361	9.8
327.57294	9.7
334.00699	9.3
335.25629	57.8
367.25275	8.8
527.37128	18.9
529.38824	23.2
609.43909	14.8
681.42902	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	681.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24158	0.5
54.22252	0.5
55.05520	0.5
67.05497	1.3
79.05492	1.0
81.03394	0.6
81.07053	0.8
91.05490	1.0
93.07058	1.0
95.08632	0.6
99.34109	0.4
105.07011	1.0
108.16130	0.4
109.10168	0.7
119.08614	0.7
125.09754	0.5
131.08607	0.6
133.10167	0.9
148.74939	0.5
154.15916	0.4
161.09743	0.5
177.85277	0.5
231.09163	0.5
269.10474	0.9
283.15210	0.6
287.11603	0.9
311.11621	0.6
362.95303	0.5
411.62119	0.5
469.18457	2.0
487.18640	1.6
577.33191	0.8
681.32324	100.0
682.32690	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	681.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
67.05499	2.9
79.05481	1.7
81.03401	0.9
81.07038	1.7
89.09759	0.7
91.05479	2.3
93.07039	1.1
95.04939	1.0
95.08610	1.3
105.07047	1.7
107.08590	1.1
109.06474	0.8
109.10151	2.1
117.07055	0.9
119.08620	1.1
121.10152	0.9
122.25571	0.6
131.08583	0.9
143.08641	0.7
145.10150	1.0
177.62965	0.7
201.12700	0.7
256.26389	1.4
257.26816	1.3
353.58243	0.7
398.37811	0.7
469.18015	1.5
487.18451	2.1
550.44525	0.9
577.33331	1.3
681.32300	100.0
682.32928	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	681.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03929	0.8
55.01857	0.4
55.05501	1.2
57.03427	1.7
61.02918	4.1
67.05485	2.9
69.03423	2.2
69.07051	1.0
69.29106	1.9
71.04984	0.5
73.02907	2.7
79.05489	1.8
81.03406	3.0
81.07055	3.8
83.04980	1.1
83.08612	1.5
85.02896	3.8
91.03948	2.0
91.05502	2.0
93.07027	2.7
95.04974	1.7
95.08605	1.2
97.02883	3.3
97.06533	0.8
98.23419	0.9
99.04460	0.7
101.02383	1.2
105.07031	1.4
107.08595	1.1
109.02884	1.1
109.10165	0.6
117.06976	0.5
119.08607	0.9
121.10157	0.8
127.03893	0.9
129.07022	0.7
131.08554	1.0
133.10158	1.1
147.11687	1.2
149.13263	1.5
157.10126	0.9
159.11664	0.6
175.11217	0.9
185.04102	0.4
185.05653	0.4
193.12216	1.2
197.50749	0.4
211.13443	0.8
225.39076	0.4
230.56860	0.4
231.52162	0.4
235.13116	1.2
243.08339	1.9
248.89690	0.4
250.97681	0.4
251.12726	0.5
453.20856	4.7
469.20453	8.6
470.20828	0.4
525.46906	0.4
681.34473	100.0
682.34753	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	681.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73278	1.6
61.02924	4.7
64.39021	1.5
67.05504	3.4
69.03429	2.4
69.71706	1.5
71.11279	2.2
72.63978	1.5
73.02895	1.8
79.05502	1.9
81.07062	4.5
85.02915	5.3
91.05523	1.7
93.07042	4.1
95.05024	1.5
95.08620	1.9
97.02904	2.8
107.08572	1.9
111.08093	1.8
149.13274	2.1
193.12263	2.0
237.09099	1.9
243.08455	1.9
251.12492	2.4
286.22467	1.7
311.97708	1.7
453.21014	10.8
469.20493	7.5
618.40820	1.9
681.34454	100.0
682.34900	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	683.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
53.64508	0.3
55.01873	1.2
57.03423	1.8
61.02906	0.8
61.35167	0.2
65.03929	0.3
68.99781	1.0
69.03068	0.4
69.03423	6.4
69.43176	0.8
71.01357	0.3
71.04996	0.6
73.02912	3.0
81.02964	0.4
81.03412	5.1
85.02894	8.7
85.03409	0.5
87.00819	3.9
89.73255	0.3
91.03929	0.5
95.04942	0.5
97.02882	4.6
98.23400	0.5
99.04441	2.2
103.03959	0.2
105.01856	2.1
107.04961	0.3
109.02876	6.1
111.00844	0.5
111.04402	0.3
115.03932	0.5
117.01834	0.7
119.08535	0.5
121.02836	0.7
123.04445	0.4
123.99292	0.2
127.03905	7.8
129.01788	0.3
135.04385	0.3
137.02336	2.3
140.24240	0.2
145.04938	3.0
145.06195	0.3
145.06497	0.3
147.02843	0.4
149.02327	0.4
151.03877	0.3
153.01801	3.3
159.02876	2.9
159.11642	0.3
161.06006	0.3
163.03880	0.7
165.01839	1.5
166.02347	0.2
169.04861	0.2
173.05923	0.4
179.07047	0.2
183.02917	0.4
201.05450	1.2
213.03857	0.6
219.06537	0.5
229.04971	3.4
231.04942	3.2
241.06931	0.3
247.06015	0.8
249.06032	0.4
257.04404	2.3
273.06055	0.6
274.04645	1.0
285.03879	0.9
303.04950	100.0
304.05273	2.8
315.05011	0.4
320.57098	0.3
343.44443	0.3
345.05807	0.3
345.08279	0.3
369.05798	0.3
397.33063	0.3
435.09610	0.3
485.32739	0.7
551.10254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31387	10.0
50.96469	12.0
63.12782	8.7
68.55116	9.4
69.51370	32.2
72.96083	12.2
80.28091	10.0
80.42178	11.2
102.76931	10.5
105.17591	11.5
117.07040	11.6
131.04955	11.9
134.08565	11.4
137.05959	44.3
139.60066	10.8
153.01813	15.5
161.05917	16.4
162.09175	10.3
163.07474	12.6
195.02977	10.8
226.98192	9.6
230.15488	12.7
292.19052	29.5
347.51007	11.4
428.04068	11.2
513.16888	16.8
524.54248	12.5
682.37744	33.6
683.20441	100.0
683.36676	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54177	0.3
62.01581	0.4
63.02082	0.3
63.02382	0.8
65.03925	2.3
69.28902	0.2
77.03938	0.3
78.04696	0.5
79.05498	0.5
85.88204	0.3
89.03905	9.0
91.05468	18.5
95.04977	0.7
98.23422	0.7
103.05456	4.4
105.07030	1.6
106.04179	0.4
107.04939	1.7
108.02036	0.3
115.05450	1.1
116.06221	0.3
117.03368	23.1
117.07008	0.4
119.04933	35.2
120.05241	0.6
121.02847	0.4
121.06469	0.7
129.06996	0.4
131.04906	6.8
133.06490	1.2
134.03616	1.4
135.04428	1.8
135.08073	0.3
137.05959	6.0
145.02832	51.0
145.06511	0.7
146.03250	1.0
147.04390	100.0
148.04733	1.4
149.02481	0.3
149.05954	7.9
151.07507	0.7
157.06465	0.5
158.07205	0.3
161.05939	3.6
161.09669	0.4
163.03902	2.0
163.07510	3.3
169.06540	0.5
172.05142	0.3
174.06720	0.4
175.03789	0.4
175.07495	1.7
177.05449	82.2
178.05844	1.3
186.05473	1.2
187.07529	0.9
189.05424	1.2
189.09059	1.1
194.07225	0.5
201.05363	0.3
201.09071	0.6
203.10661	0.5
205.04910	0.6
205.10115	0.5
207.06334	0.3
207.08069	0.4
215.10745	0.3
219.08250	0.3
219.10170	1.6
221.06001	0.5
221.09595	0.3
222.06700	0.5
223.07562	0.3
225.08987	0.3
233.09489	0.8
233.11798	0.8
235.07449	0.4
237.09064	0.6
238.06236	0.6
247.05995	1.1
249.05321	0.5
253.08488	1.2
261.08960	0.5
263.07077	0.3
265.08508	1.2
266.05655	0.5
277.08334	0.3
281.08014	3.6
281.10782	0.5
282.08673	0.3
293.11609	1.0
295.09589	0.4
297.11093	1.5
299.12735	0.3
313.14282	1.1
315.12076	0.5
323.08975	0.8
325.14188	1.8
343.15335	1.7
349.10687	0.3
353.13712	0.6
377.13873	0.7
395.14932	1.9
683.35486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
57.03433	0.5
61.02924	0.9
67.05503	2.7
69.03425	0.5
69.07080	0.4
69.31632	2.1
73.02908	0.8
79.05495	0.9
81.03413	1.1
81.07049	1.0
83.08624	0.3
85.02903	1.1
90.10902	0.4
91.03960	0.4
91.05464	0.5
93.07037	0.9
95.04955	0.6
95.08606	0.4
97.02885	0.9
101.02381	0.5
105.07070	0.6
107.08559	0.7
109.10137	1.1
119.61896	0.4
127.03914	0.4
135.11674	0.9
189.93863	0.4
198.37369	0.5
214.25125	0.4
229.14299	0.6
243.08466	0.4
267.09061	1.2
285.09946	0.4
417.13382	0.4
439.19440	0.9
455.18149	0.8
466.50586	0.6
469.20633	0.6
473.16617	0.8
485.17224	0.7
665.30792	1.4
683.30499	100.0
684.31012	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	683.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78656	0.3
55.01876	0.5
55.05508	0.8
55.34373	0.3
57.03420	1.6
61.00504	0.4
61.02923	3.7
67.05499	3.1
69.03424	2.1
69.03746	0.3
69.07051	0.8
71.04988	0.4
72.31498	0.3
73.02910	2.5
75.16546	0.3
78.50338	0.3
79.05481	1.2
81.03419	2.5
81.07050	3.2
83.04979	1.1
83.08619	0.8
85.02898	5.0
85.06551	0.3
87.04486	0.3
91.03947	2.6
91.05460	2.9
92.29129	0.3
93.07027	2.1
95.04964	1.8
95.08611	0.8
97.02883	3.1
97.06550	0.6
99.04427	0.7
101.02377	1.5
105.07012	2.4
107.04947	0.7
107.08587	2.1
109.02884	0.6
109.06525	0.8
109.10133	2.8
111.08032	0.4
113.06023	0.4
119.08577	1.3
121.10161	0.5
123.07994	0.3
123.11729	1.2
127.03897	1.3
131.08565	0.4
133.10121	4.8
135.11678	0.4
147.11662	0.9
151.11143	2.1
157.10086	0.7
175.11215	0.6
185.04192	0.9
193.12317	1.0
203.05296	0.9
211.13303	0.8
229.14323	0.4
237.10988	1.4
243.08408	1.1
251.12535	0.7
253.14471	0.5
255.86234	0.4
271.15530	0.4
285.17032	0.4
293.13586	0.8
318.06161	0.3
455.18716	9.2
456.19016	0.4
469.20425	5.6
683.32391	100.0
684.32745	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	683.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15076	0.6
55.01845	1.0
55.05501	1.8
56.96587	0.6
57.03423	2.7
61.02919	3.7
62.53599	0.6
67.05489	4.3
69.03418	2.9
69.07070	1.3
71.05000	0.7
73.02905	2.8
78.59296	0.6
79.05499	3.3
81.03411	2.5
81.07051	2.5
83.04974	1.0
83.08613	2.4
84.40608	0.7
85.02898	5.8
91.03943	2.3
91.05468	1.9
93.07022	2.9
95.01098	0.7
95.04951	1.0
95.08606	0.9
95.82369	0.6
97.02882	3.2
97.06522	1.4
97.10182	0.7
98.22677	1.3
99.04435	1.2
101.02362	1.0
103.03916	0.9
105.07040	1.6
107.08589	2.6
109.02911	0.8
109.06518	0.7
109.10147	1.8
111.74864	0.7
119.08591	1.4
121.10148	0.9
123.04150	0.7
125.09625	1.1
127.03906	2.5
129.05457	2.7
131.08627	0.6
133.10126	1.5
135.11691	2.6
164.21504	0.6
181.04666	1.2
185.04198	4.8
185.11794	1.2
195.06187	1.0
201.03731	1.2
203.05272	1.1
208.96736	0.7
221.11469	2.1
243.08299	3.6
247.13031	2.9
261.14789	1.2
277.14157	1.1
291.15622	0.9
301.08884	12.0
315.10400	3.7
319.15149	2.8
329.11890	0.8
337.16220	2.7
341.12076	1.3
343.13354	1.0
355.13425	0.7
357.15231	1.9
365.15646	2.9
369.15121	3.4
373.10968	12.3
373.15390	1.2
383.16876	1.7
385.18304	6.8
387.12250	1.1
403.24539	1.9
411.19861	1.7
415.15720	0.9
429.17267	10.3
439.19333	17.3
449.24884	1.2
453.20636	1.0
455.18686	4.3
457.20663	3.1
469.20291	3.4
470.21332	2.9
471.21655	1.5
498.20636	2.6
511.21381	10.8
513.26788	3.6
525.22864	2.7
539.24304	3.5
553.28442	1.0
554.31250	1.0
567.27002	0.7
581.29156	5.9
582.30011	2.6
584.43170	0.7
621.32440	1.1
623.30212	1.1
637.31647	1.9
665.30914	3.1
666.31897	1.2
683.32239	100.0
684.32349	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	683.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
57.07064	0.6
63.31211	0.6
67.05502	2.3
69.07054	1.0
71.92831	0.6
79.05488	2.1
81.07060	3.5
91.05411	1.1
93.07050	2.6
95.04998	0.6
95.08596	1.6
98.23505	1.3
105.07027	2.0
107.08592	1.4
109.06442	0.7
109.10146	0.9
117.07018	0.8
119.08579	1.3
121.10094	0.7
131.49582	0.6
133.10182	0.6
134.59956	0.5
135.11664	0.6
199.14880	0.7
228.59219	0.6
229.32349	0.8
243.40508	0.6
317.20905	1.2
333.20401	6.0
340.53455	0.7
373.23462	1.4
389.22723	3.5
571.47552	1.0
585.37317	0.7
683.44855	100.0
684.45343	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	683.4485
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05513	1.0
55.85874	0.7
57.03421	0.7
57.65920	0.7
65.12502	0.7
67.05491	4.4
67.47144	0.9
69.07072	1.6
73.59248	0.7
79.05492	3.5
81.07047	4.3
83.08640	1.1
83.86951	0.7
86.02872	0.8
91.05497	2.6
93.07055	3.2
95.04996	1.2
95.08638	2.0
105.07062	2.2
106.74139	0.8
107.08630	2.5
109.10163	1.1
119.08617	1.0
121.10133	1.2
135.11737	1.0
175.65576	0.8
194.84184	0.7
223.35648	0.9
253.55664	0.7
317.21323	1.1
328.49097	0.9
332.56390	0.8
333.20337	9.4
373.23471	1.1
389.22879	5.9
479.31299	0.8
571.47064	1.0
683.44904	100.0
684.45496	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	684.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01873	3.5
57.03422	2.2
59.10310	0.7
61.02916	1.6
64.83179	0.6
68.99782	1.6
69.03423	11.4
71.04974	2.4
73.02905	1.9
75.00188	0.6
79.05486	3.9
81.02959	1.4
81.03412	21.7
81.03902	1.2
81.07024	1.0
85.02893	27.1
87.00820	10.9
91.03948	0.7
91.05467	2.0
93.07017	0.6
95.04958	1.9
97.02895	11.0
99.04440	5.6
103.05456	1.7
103.23821	0.6
105.01855	7.2
105.07021	1.1
107.04940	10.7
107.08610	0.8
108.04458	2.2
109.02867	12.2
115.05449	5.2
117.01833	2.6
117.07011	13.1
119.08527	1.2
123.04407	2.5
124.05207	2.6
126.05508	0.9
127.03020	1.2
127.03902	16.8
128.06195	1.6
129.01819	1.6
129.06969	2.4
131.04933	1.1
131.08530	3.0
132.05699	0.9
133.06458	1.1
137.05971	1.2
140.04776	0.7
141.06955	2.0
143.04832	0.8
144.05693	2.5
145.04956	7.7
145.06464	30.6
147.08011	1.0
152.04694	1.8
153.01801	0.8
153.05460	0.9
155.06003	6.1
156.05658	5.5
157.06453	2.6
159.02884	6.6
159.08047	6.4
161.05969	4.0
167.07022	47.7
169.07585	0.9
172.05130	0.8
173.05965	60.2
174.06419	1.1
175.04002	0.9
175.07475	2.1
177.05415	1.1
181.04913	1.6
181.08585	0.8
183.06497	1.0
184.05197	1.8
186.06789	0.9
187.07497	6.8
190.06226	35.6
191.06888	2.3
193.08501	1.4
202.06192	3.7
203.06999	7.0
203.08661	1.0
204.07755	0.8
205.08580	100.0
206.08940	2.5
207.06480	1.8
208.05118	0.9
215.07036	1.4
217.08571	41.5
218.08984	1.2
219.08046	1.8
219.10181	4.1
223.09572	2.4
230.06892	0.9
231.04906	3.4
231.08011	1.3
231.10054	1.6
233.09590	1.2
235.09610	26.6
247.07463	1.7
247.09669	7.8
248.07964	2.5
249.05746	0.8
249.11278	1.5
254.05594	0.8
256.07123	0.7
261.09024	1.1
262.09830	0.8
263.10745	1.4
264.07791	1.7
265.10687	36.3
266.08463	0.8
266.11020	1.0
267.06628	0.9
269.08096	1.3
271.09579	2.1
276.07816	0.9
277.08472	0.8
279.10049	1.6
281.07782	0.8
282.08667	0.9
290.09244	1.0
291.10165	2.0
292.07416	0.9
293.08221	1.3
295.09604	1.0
296.10358	1.1
307.09592	1.7
308.10309	1.8
310.08167	1.0
315.08591	8.7
316.09012	1.2
319.09540	0.9
323.12677	2.1
325.10849	0.9
330.10974	12.7
331.11707	3.5
337.10504	1.7
339.12183	1.8
343.11755	1.8
351.12259	4.2
368.12439	1.2
369.13138	2.6
371.14795	3.8
383.14868	13.3
384.15247	1.0
385.16095	0.8
401.15915	18.9
402.16238	1.0
417.15506	1.0
661.72394	0.7
694.04413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05505	8.2
55.14946	1.1
57.03439	3.2
60.19215	1.1
65.03922	2.3
67.05501	25.0
68.28617	1.2
69.07067	5.1
71.04990	1.8
71.42382	1.2
77.03918	2.0
79.05484	36.4
81.03410	2.6
81.07055	18.3
82.60325	1.1
83.04963	6.4
83.08608	1.7
91.05472	29.3
93.07037	37.8
93.07600	2.5
95.04971	16.0
95.08604	11.5
97.02953	1.1
97.06541	2.8
97.10159	3.0
97.18836	1.1
105.04517	3.8
105.07020	21.8
107.04960	3.6
107.08587	9.0
109.06512	2.5
109.10159	1.6
111.95379	1.2
117.06998	5.1
119.08586	14.0
121.10146	2.2
121.43288	1.2
123.08059	3.3
128.06207	1.6
129.06998	10.1
131.08549	2.6
133.10129	5.9
135.11682	2.1
143.08543	5.2
145.10132	6.5
147.08087	2.1
147.11671	21.9
161.09627	1.8
161.13179	7.3
171.11673	16.7
189.12747	7.8
207.13780	22.6
225.14926	1.9
239.37512	1.1
263.16498	1.5
281.17450	49.0
282.17929	2.6
283.26520	1.3
455.70972	1.6
469.29651	2.7
486.87759	1.4
487.30530	100.0
488.30969	7.6
495.01279	1.4
538.57239	1.3
543.36383	2.0
675.24286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
53.50367	1.8
55.05506	13.5
57.03458	2.8
57.07067	4.9
60.04507	2.0
66.78982	2.0
67.05503	16.8
69.03409	10.4
69.07064	9.1
69.23303	11.4
75.15315	1.9
79.05482	13.0
81.03439	2.2
81.07046	45.2
83.04963	9.1
83.08620	14.5
85.02890	18.5
85.23822	2.0
91.05457	25.8
93.07032	45.8
95.04975	7.6
95.08596	53.6
97.02877	4.6
97.10155	3.2
99.08088	17.6
103.05476	2.6
105.07016	69.1
107.08578	79.0
108.90294	1.8
109.02864	3.2
109.06501	7.1
109.10153	30.5
111.08078	7.1
113.09582	2.7
115.05394	3.1
116.51597	2.0
117.07028	10.4
119.08564	100.0
120.08883	2.5
121.06498	2.9
121.10126	49.8
123.08065	6.8
123.11710	20.6
125.09618	34.5
127.03922	3.3
129.07007	5.6
130.07767	2.2
131.08554	58.4
133.10112	66.5
135.08049	5.3
135.11676	30.8
137.09563	4.3
137.13225	3.9
141.06969	2.9
143.08553	20.4
144.06587	2.9
144.09244	2.6
145.04926	4.4
145.10109	82.8
147.08038	3.0
147.11668	61.3
149.09645	3.7
149.13190	11.8
151.11154	6.4
155.08531	3.6
157.10121	27.0
158.10844	4.1
159.07985	2.4
159.11678	65.0
161.09634	5.2
161.13242	22.8
162.07610	3.3
163.07466	3.7
163.11159	4.0
163.14777	12.2
169.10149	9.8
170.10883	5.2
171.11687	24.9
173.13254	54.1
175.11183	2.1
175.14815	38.1
177.12746	4.6
177.16380	28.0
179.14308	2.4
180.08636	3.1
183.11685	13.4
184.12415	4.3
185.13240	34.4
187.14799	96.0
188.15094	4.4
189.12752	3.6
189.16350	24.6
191.14261	16.3
191.17867	3.1
193.15862	5.5
195.11711	5.7
195.13681	4.2
197.09464	2.2
197.13191	17.2
199.14787	44.6
201.12775	3.3
201.16359	60.7
202.16731	3.1
203.14296	30.1
203.17946	9.9
205.13913	4.1
205.15857	75.6
206.16217	2.5
207.17494	5.0
209.13324	3.4
209.15250	3.1
211.14738	13.6
213.16368	38.5
215.14276	5.3
215.17937	8.6
217.15874	9.2
219.17407	15.5
221.13295	2.9
221.15353	8.8
225.16359	7.7
227.17929	5.3
229.15823	6.1
229.19473	3.9
231.13741	1.9
231.17366	7.6
233.15295	3.3
237.16336	3.3
239.17975	5.2
241.19460	5.8
243.17601	2.7
245.15417	9.2
247.16910	5.9
249.14864	7.1
253.19566	7.5
255.21077	5.6
259.16946	8.7
263.18103	2.4
265.19666	2.8
267.21033	7.8
281.22623	3.2
283.20398	5.6
293.22763	2.2
333.25641	4.5
335.23645	4.5
339.23080	3.9
341.24652	6.5
351.26950	2.7
375.30539	3.5
377.31860	4.7
387.30338	13.2
389.32141	2.2
393.31726	14.4
395.32950	5.9
405.31473	82.8
406.31674	4.6
407.33578	9.5
411.28113	3.2
411.32840	4.5
415.29895	2.5
421.30807	6.8
423.32486	40.0
433.30948	30.9
434.31192	2.6
439.32147	15.7
441.33603	9.1
451.31995	86.3
452.32251	8.0
457.32977	4.4
459.34451	5.4
469.33084	71.2
470.33380	5.7
631.37891	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	684.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80645	6.8
55.01864	11.5
55.05508	14.2
67.05505	12.8
69.03410	8.6
69.07044	10.0
71.50241	7.0
73.04758	27.4
74.96320	6.1
77.33202	6.1
79.05480	12.8
81.03411	7.6
81.07058	41.4
83.08595	12.7
85.02905	14.2
91.05377	8.5
91.05888	39.9
93.07032	55.6
95.08586	58.3
99.08102	12.8
103.05464	6.2
105.07037	39.1
105.59409	6.4
107.08587	76.8
109.06491	5.7
109.10149	28.4
110.23768	6.6
115.05469	6.6
117.07015	7.5
119.08572	92.2
121.06506	12.3
121.10085	44.1
123.11689	15.2
125.09644	44.4
131.04916	8.4
131.08546	41.6
133.10129	52.3
135.11687	20.4
137.05936	34.3
137.09602	6.8
138.06253	8.4
143.08566	9.8
145.10068	55.5
147.11691	28.9
149.06017	5.8
149.13220	14.2
151.07558	7.7
153.01793	51.0
157.10080	34.4
159.08069	8.0
159.11679	51.9
160.05249	7.7
161.05971	16.9
161.13231	26.8
163.07579	15.1
167.05496	17.4
169.10150	9.4
171.11668	18.4
173.13260	36.4
175.07538	16.0
175.14786	36.7
177.16348	20.7
179.06812	7.4
183.11751	8.1
185.13245	30.5
186.06076	7.7
187.14807	70.3
189.16318	19.8
191.14265	15.3
195.02870	37.2
197.13289	13.0
199.14798	43.2
201.05415	17.2
201.16438	43.9
202.05798	8.7
203.06938	35.0
203.14299	34.1
203.17938	11.3
204.07382	14.1
205.15930	31.6
209.13324	6.7
211.14847	14.9
213.16376	33.0
215.17856	10.8
217.15944	7.4
219.17479	9.7
221.15353	12.1
225.04242	14.7
231.17352	14.0
235.39059	5.9
239.09381	10.4
243.17499	7.9
245.15378	15.2
247.30156	7.5
249.14880	10.5
253.19641	6.7
259.17035	8.2
267.21042	10.1
277.08682	7.5
282.73367	6.0
295.10019	7.7
297.11227	9.4
299.06186	10.6
355.07230	8.3
359.02759	28.1
382.13419	10.2
387.30444	15.2
393.31403	7.8
397.05615	7.8
405.31427	74.5
407.33145	18.6
421.30994	10.4
423.32581	34.0
429.08884	19.8
433.31195	34.7
451.32040	100.0
452.31952	8.6
469.33160	47.6
621.05383	6.6
666.22894	11.9
684.23279	31.5
685.23792	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	684.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.09470	1.6
55.05498	11.1
57.03425	2.5
57.07061	4.5
59.05004	1.6
61.02922	3.9
65.03936	3.1
65.31622	1.4
67.05501	15.6
68.66904	1.4
69.03422	6.6
69.07069	12.9
69.89175	1.3
71.04989	4.0
73.02898	3.1
73.04737	2.4
76.11486	1.5
79.05482	15.9
81.03410	3.2
81.07050	54.5
83.04987	12.2
83.08613	6.7
85.02895	23.4
85.06556	1.5
91.03941	1.4
91.05453	23.9
93.07036	46.2
95.04966	5.7
95.08599	61.0
95.09217	2.9
97.02873	8.1
97.06516	5.0
97.10158	3.6
99.08060	2.5
103.05445	1.7
105.07023	67.3
105.07735	3.2
107.08586	69.7
109.02875	2.0
109.06513	5.8
109.10143	32.3
111.08066	8.5
117.07023	11.5
119.08571	92.4
121.06507	3.0
121.10130	38.4
123.08060	5.2
123.11693	22.7
125.09630	21.6
127.03924	3.5
128.06258	2.1
128.49673	1.3
129.06960	7.2
130.07726	1.5
131.08560	43.5
133.10117	47.7
135.08078	3.4
135.11678	21.4
137.05956	4.4
137.09613	3.3
137.13226	3.2
142.07765	3.6
143.08554	16.9
144.09325	4.3
145.04915	3.2
145.10112	82.5
146.10635	2.5
147.07974	2.2
147.11671	42.9
149.09610	4.4
149.13248	14.4
151.11188	2.6
153.01848	4.8
155.08507	3.3
156.09326	2.9
157.10107	20.5
158.10907	3.5
159.08040	1.8
159.11682	61.1
160.12244	1.7
161.09631	4.4
161.12054	2.6
161.13260	30.3
162.07603	3.6
163.07541	3.6
163.11169	5.1
163.14816	16.1
165.12766	2.2
169.10072	7.8
170.10857	3.4
171.11674	24.0
172.12418	3.6
173.11832	3.1
173.13249	44.1
175.07480	3.8
175.11218	2.6
175.14813	41.7
177.12715	3.7
177.16371	21.9
179.14299	3.5
180.08702	4.0
183.11668	6.9
184.12466	2.6
185.13251	28.9
186.13843	1.6
187.07513	2.1
187.14806	62.0
189.12744	3.3
189.16370	30.0
191.14304	17.8
191.17941	6.4
193.15849	5.4
195.11658	2.2
197.13252	7.8
198.13841	1.7
199.14798	39.6
201.12804	3.1
201.16353	47.8
203.14290	14.0
203.17915	11.7
205.15860	100.0
206.16237	3.8
207.17479	4.4
211.14774	7.3
213.16362	23.0
215.14313	2.9
215.17924	6.5
217.15829	14.6
217.19437	2.1
219.13866	2.0
219.17412	23.6
221.15395	5.9
223.14899	2.7
223.16917	7.2
225.16360	2.7
227.18008	3.4
229.15866	13.2
229.19449	2.2
231.17447	12.3
233.18964	3.0
237.14740	1.8
239.17982	3.9
241.15862	1.8
241.19514	2.9
243.17545	2.1
245.15343	4.4
245.18839	2.0
247.16942	1.8
250.14357	1.8
253.19495	2.8
257.19003	2.5
259.20514	2.6
265.17801	3.1
267.21320	1.5
271.20532	1.6
277.18021	6.2
279.21155	1.5
283.20444	4.0
343.22830	2.3
357.24261	4.7
375.30563	2.5
377.31979	2.9
387.30402	5.8
393.31485	13.1
395.32956	6.4
405.31488	31.2
407.32922	6.7
411.32431	5.6
421.31064	3.3
423.32596	38.7
424.33066	3.1
425.34109	4.0
433.30841	4.7
439.32095	18.0
441.33807	8.2
451.32016	36.2
452.32550	2.2
457.33078	5.1
459.34583	2.6
469.33090	56.6
470.33282	4.2
487.33679	1.9
631.38110	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	686.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90928	1.1
53.03937	1.6
55.01871	2.8
55.05505	9.1
57.03433	4.0
65.03936	1.0
67.05501	20.7
69.07081	5.2
71.04985	2.2
75.74028	1.1
78.56528	1.1
79.05486	28.6
80.09977	1.0
81.03407	3.5
81.07051	21.3
83.04984	7.4
83.08620	4.2
85.02905	1.1
91.05453	21.7
92.27077	1.1
93.06442	2.0
93.07035	37.6
95.04963	10.2
95.08601	22.3
97.02905	2.7
97.06531	2.5
97.10145	1.7
98.23506	2.2
99.04459	1.1
105.04514	1.1
105.07017	13.4
107.04285	1.2
107.04932	6.5
107.08588	18.4
109.06516	2.6
109.10162	3.5
111.04402	1.5
111.08128	1.7
115.05486	1.1
117.07037	5.8
119.08578	10.1
121.06503	4.0
121.10121	8.0
123.08077	3.7
125.05970	1.6
129.06996	5.7
131.08548	1.2
133.10124	4.8
135.08101	1.7
135.11679	22.4
143.08574	3.5
145.10114	18.5
147.11688	9.4
155.08685	1.2
155.10422	1.0
161.09624	2.2
161.13245	3.6
163.11172	29.9
167.05499	1.2
171.11649	6.9
181.12209	5.0
183.76657	1.2
189.12715	3.1
207.13725	7.9
209.11658	1.7
227.12770	27.9
227.15016	1.5
235.37340	1.0
281.17447	32.4
282.17892	1.8
283.15384	34.1
284.15680	1.5
324.36975	1.0
471.27475	2.5
489.28427	100.0
490.28864	6.9
686.38947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01869	3.7
55.05506	11.4
57.03428	5.1
57.07078	0.8
58.67347	0.7
59.04990	1.4
61.02910	1.1
61.43594	0.7
65.03947	0.9
66.47815	0.6
67.05500	22.7
69.03440	0.8
69.07051	5.3
69.92608	1.8
71.04999	2.5
73.02900	0.7
73.06563	0.7
77.03933	1.0
78.44188	0.7
79.05486	35.2
81.03415	8.7
81.07051	23.7
83.01335	3.7
83.04978	8.3
83.08614	7.0
85.02908	2.8
85.06557	1.0
91.05471	27.3
93.07038	33.6
95.04966	13.4
95.08596	13.4
97.02899	1.6
97.06514	3.4
97.10161	2.2
99.04473	1.2
105.04503	1.6
105.07020	21.8
105.07723	1.1
107.04945	6.8
107.08590	10.9
109.06504	4.0
109.10166	1.9
111.04428	0.8
111.08049	1.1
117.07011	6.5
119.08575	13.0
121.06494	2.7
121.10124	4.0
123.08064	5.5
125.05980	1.3
125.09601	0.8
128.06219	1.4
129.06998	7.5
130.07777	0.7
131.08594	2.0
133.09230	1.0
133.10095	5.0
135.08008	1.0
135.11681	5.1
143.08522	4.8
144.70250	0.6
145.10103	11.1
147.08069	1.9
147.11671	15.9
148.11952	0.8
153.12743	1.6
161.09596	1.8
161.13280	4.3
163.11157	10.2
171.11688	11.2
173.09607	1.2
181.12289	1.6
189.12709	4.3
191.10641	1.6
192.59521	0.7
202.89960	0.7
207.13783	17.3
209.11768	2.4
220.49426	0.6
225.15004	0.9
227.12747	2.0
265.14371	2.4
281.17450	41.3
282.17752	1.4
283.15381	30.3
284.15787	1.7
471.27420	6.6
489.28436	100.0
490.28711	6.7
607.23651	0.7
675.07404	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	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76832	0.8
53.03942	1.2
55.01872	0.9
55.05256	1.0
55.05507	15.2
57.03175	1.2
57.03432	14.2
57.07058	1.7
58.75063	0.7
59.05004	5.5
60.90532	0.8
61.02920	4.6
62.22389	0.7
65.03925	3.5
65.61156	0.7
67.05499	100.0
67.24310	0.8
68.05827	0.9
69.03426	1.6
69.07063	9.5
69.07406	1.2
69.56600	3.0
69.56963	1.4
71.04986	2.8
73.02921	1.4
77.03889	0.9
79.05489	22.5
79.05949	1.5
81.03419	0.9
81.07049	39.4
83.04978	1.3
83.08606	7.0
85.02885	4.6
85.06535	3.6
91.03938	1.3
91.05471	15.9
93.07040	26.7
95.04955	3.5
95.08601	28.4
95.09214	1.5
96.36712	0.8
97.02877	2.0
97.06532	1.4
97.10177	1.6
98.23531	0.8
99.08088	1.7
105.07019	8.2
107.08585	14.1
109.06538	1.4
109.10146	75.0
110.10437	1.5
111.08072	2.7
114.87914	0.7
117.07001	3.1
119.08568	10.5
121.10136	13.5
123.11705	4.4
125.09599	1.6
131.08543	5.8
133.10115	6.4
135.11688	7.8
137.09604	3.1
137.13219	1.6
145.10132	3.7
147.11673	3.0
149.13232	3.4
155.10640	6.7
159.11710	4.5
161.13254	2.9
163.14784	3.0
173.11743	16.8
173.13239	2.8
177.16353	0.8
187.14781	1.8
227.12750	2.7
229.14330	73.8
230.14745	1.0
243.21039	4.1
261.22110	16.4
317.24710	2.6
335.25769	60.7
336.26144	2.4
381.88968	0.8
397.30835	1.1
449.13708	0.8
453.70020	0.7
489.35709	50.3
490.36057	4.6
507.36581	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05504	9.7
57.03438	11.9
57.07063	2.0
59.04991	2.5
59.23311	1.0
61.02905	5.1
65.03918	3.2
67.05500	90.3
69.07072	7.3
71.04971	2.9
71.19297	1.4
79.05486	16.1
81.07056	32.5
83.08625	7.3
85.02901	3.6
85.06533	1.3
85.11216	1.3
91.03941	1.3
91.05420	9.4
93.07040	19.0
95.04945	2.4
95.08589	19.1
97.02850	2.0
97.10146	1.9
99.08117	1.6
105.07022	6.5
107.08582	11.9
109.10146	68.0
111.08086	3.9
117.07034	1.9
119.08597	6.3
121.10131	7.8
123.11689	3.0
131.08546	3.8
133.10129	3.9
135.11676	4.5
137.09621	2.4
145.10074	2.8
147.11667	3.3
149.13229	2.9
150.71356	1.2
155.10643	4.3
159.11659	3.2
161.13289	2.2
163.14792	2.6
173.11745	21.1
173.13205	2.8
189.11102	1.3
227.12769	4.3
229.14330	100.0
230.14656	2.6
243.21066	3.8
259.33926	1.2
261.22128	17.6
317.24573	3.4
335.25760	66.1
336.26089	3.3
489.35715	39.5
490.35760	2.3
491.66644	1.3
507.36749	4.2
552.37921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29931	1.1
58.01903	1.3
70.06760	2.1
70.07090	1.7
73.04763	1.4
73.80071	1.1
78.27509	1.3
81.07048	1.5
83.36829	1.2
86.02187	1.3
87.46461	1.3
91.05784	1.8
106.58900	1.1
129.17607	1.1
136.42421	1.3
158.27078	1.1
199.08716	1.5
207.09088	1.4
208.09724	1.6
209.10759	5.5
210.11465	1.7
211.12323	1.7
222.11403	2.4
223.08659	1.7
223.12343	5.4
224.13039	3.8
225.13879	1.8
227.75925	1.6
235.12332	1.2
237.10268	2.3
237.13826	12.8
238.14566	6.1
239.15451	3.8
241.09720	2.3
253.13541	1.5
265.10269	1.4
265.13245	8.0
266.14172	3.6
267.14893	3.9
273.12265	2.4
297.12289	2.7
315.13379	3.3
325.15424	6.8
327.17117	2.9
388.20255	2.1
400.16162	2.0
404.23184	2.0
419.18402	1.7
423.17886	1.6
437.19501	1.7
481.22464	1.8
483.24100	1.7
490.23026	2.4
491.23782	2.0
497.25320	2.9
507.23535	3.0
521.24683	2.0
524.24567	1.7
525.24921	5.4
549.24316	2.3
553.24579	3.1
567.25739	2.8
568.26782	2.3
579.25317	2.0
595.25000	3.5
609.27112	13.0
627.28040	27.9
637.26062	4.7
655.27533	100.0
656.27881	7.0
687.29883	5.7
687.40588	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	688.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.2
66.93961	1.9
69.21391	9.5
69.21796	4.2
69.65754	1.8
73.02908	5.0
77.89954	1.9
79.05489	2.1
91.05473	6.0
94.58447	2.2
95.04990	2.7
98.22601	3.6
98.23270	8.4
103.05484	5.2
105.07053	3.0
109.10176	2.0
119.04900	2.9
121.06426	3.0
122.03658	7.1
123.08064	2.9
125.05972	2.7
129.07034	4.5
131.04945	11.1
137.05969	100.0
138.06259	3.6
149.06015	2.7
151.07533	30.7
153.05466	7.8
160.28751	2.2
161.05971	22.0
161.09628	3.7
163.07526	21.6
165.09135	6.4
175.07539	12.4
177.09084	40.9
180.80624	2.0
182.15393	2.4
187.07590	2.6
189.09163	9.6
193.06493	2.6
195.08504	2.5
195.10120	13.9
201.09169	2.4
205.06429	2.5
207.08240	2.3
207.10194	6.7
219.08180	2.7
219.10141	8.2
221.11737	12.7
224.08446	2.6
225.09279	2.7
233.06105	2.3
235.07616	2.6
237.09187	5.1
239.10622	3.4
245.09915	2.9
249.09142	2.6
251.10623	3.0
253.08551	3.2
265.08548	13.2
267.10123	3.4
277.08533	4.5
279.10150	6.7
280.10925	2.7
283.09470	3.6
285.11066	10.1
287.12643	2.6
297.11145	21.5
299.12708	2.9
309.11273	4.3
311.12753	21.4
313.14700	2.1
317.13843	2.9
323.12631	3.6
325.10773	5.0
337.14395	2.6
339.12320	5.8
343.15485	11.2
355.15350	4.7
357.13321	4.8
461.14130	2.3
461.19672	9.3
479.20633	19.3
491.20724	14.4
493.22226	6.2
509.21600	3.3
688.28931	4.9
688.46057	8.2
689.47815	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	688.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01869	4.7
55.05259	0.8
55.05505	9.5
57.03428	6.1
57.07064	0.7
59.04983	1.4
61.02912	1.8
66.82458	0.6
67.05491	8.8
69.03410	1.2
69.07063	4.2
70.92586	0.9
71.01333	0.9
71.04973	2.5
73.02894	1.0
73.29932	0.6
77.03909	0.7
79.05489	15.8
79.56068	0.6
79.93142	0.6
81.03409	6.4
81.06578	0.9
81.07044	11.9
83.01321	5.0
83.04974	6.9
83.08600	7.4
84.43225	0.9
85.02884	2.8
85.03336	0.7
90.33521	0.7
91.05485	7.5
93.06441	1.2
93.07034	23.7
95.04960	6.6
95.08591	16.8
97.02867	2.5
97.06516	3.6
99.04443	2.4
105.04527	0.9
105.07007	5.8
107.04951	5.8
107.07841	0.8
107.08575	14.4
109.06477	3.5
109.10126	2.4
111.04520	1.6
111.08068	0.7
112.58423	0.7
117.07003	5.8
119.08567	9.0
121.06484	4.3
121.10133	8.1
123.08040	3.6
125.05939	1.2
130.07788	1.2
131.08536	1.6
133.10118	2.3
135.08058	1.4
135.11674	25.5
137.09566	0.8
139.07478	1.2
145.10110	19.3
147.08008	0.7
153.12720	1.2
155.08511	0.7
163.11160	39.6
173.09599	2.8
181.12151	5.5
191.10658	1.5
209.11655	3.7
227.12743	29.8
265.14236	0.6
267.16110	1.2
281.17239	0.8
283.15363	100.0
284.15729	2.4
338.80984	0.7
459.27765	0.7
473.25223	0.8
491.26331	71.3
492.26727	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	688.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01868	7.7
55.05508	11.7
57.03433	8.6
57.07081	1.0
59.04988	3.4
61.02915	3.2
65.03947	0.8
67.05499	8.5
69.03415	1.5
69.07064	2.7
69.10284	5.6
71.04986	2.8
73.02871	0.8
79.05482	13.6
81.03405	9.2
81.07056	12.6
83.01328	7.8
83.04977	9.3
83.08604	8.5
85.02495	0.7
85.02917	6.1
86.98170	0.8
91.03949	1.4
91.05474	12.0
91.05994	1.2
93.07040	20.6
95.04967	7.3
95.08600	7.1
97.02905	3.9
97.06533	4.1
97.10162	1.5
98.23443	1.3
99.04446	2.4
105.07027	7.1
107.04923	5.7
107.08579	11.2
109.06497	6.4
109.10141	1.4
111.04439	2.7
111.08095	1.0
117.07003	6.0
119.08561	7.1
121.06493	2.1
121.10136	6.3
123.08054	6.6
125.05967	1.4
129.07013	0.8
130.07809	1.2
131.08569	1.5
133.10100	1.8
135.08061	1.2
135.11668	8.6
145.10103	12.6
147.08069	1.3
147.11768	0.9
149.09654	0.8
153.12782	2.6
155.08563	1.9
163.11160	21.7
173.09647	3.3
181.12257	2.2
191.10683	2.2
209.11717	6.3
227.12750	3.1
283.15366	100.0
284.15683	3.7
326.69305	0.9
452.47910	0.9
491.26346	46.1
492.26425	3.3
712.35596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
52.38017	1.7
52.54851	1.8
53.03936	5.9
55.01867	3.7
55.05510	24.8
57.03439	12.8
61.02918	2.2
65.03934	3.0
67.05498	47.4
68.80426	1.9
69.03423	5.5
69.07068	12.1
71.04991	6.8
73.06532	2.0
76.92960	1.9
79.05489	69.5
81.03414	59.9
81.07053	51.0
83.04984	18.1
83.08622	20.1
85.02898	17.0
85.06532	2.5
91.05475	65.1
93.07039	63.0
95.04959	40.9
95.08595	23.6
95.71465	1.9
97.02894	4.8
97.06526	5.5
97.10168	4.4
97.98814	1.9
105.07020	45.8
107.04940	10.0
107.08595	17.3
109.06512	8.6
109.10167	3.8
111.08096	7.1
113.06064	2.4
117.07027	7.2
119.08562	29.5
121.06517	3.1
121.10141	8.8
123.08073	4.5
123.11768	1.6
129.07010	20.4
131.08551	10.4
133.06459	4.3
133.10127	14.6
133.14830	1.7
142.07797	2.6
143.08559	5.4
145.10086	9.2
146.78607	1.6
147.08041	4.4
147.11671	39.4
149.09636	3.9
150.97328	1.8
157.10104	9.0
161.13266	9.0
161.32425	1.8
171.11690	17.2
175.11156	13.2
189.12769	5.4
193.12215	31.1
207.13797	24.5
211.13264	40.9
211.15117	3.1
212.13530	1.7
263.16632	2.3
267.15854	38.3
268.16138	3.3
269.72339	1.8
281.17435	70.5
282.17749	2.7
285.16934	43.5
285.19965	3.1
473.28983	100.0
474.29175	7.3
491.30005	82.8
492.30518	5.0
494.99133	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.6
57.03434	8.2
57.07067	6.6
60.08165	4.6
61.02937	3.6
64.88976	2.9
67.05502	64.2
69.07065	16.7
69.33275	16.9
71.08607	2.8
71.43581	2.9
79.05501	14.3
81.07051	31.4
82.38878	2.7
83.08613	11.5
86.09706	23.4
89.06022	3.3
91.05492	6.5
93.07030	23.9
95.08597	23.7
97.10172	8.2
107.08605	8.8
109.10145	51.2
117.07001	2.8
119.08598	4.4
121.10160	5.7
124.99984	14.5
133.10077	3.2
135.11688	15.7
138.31180	2.7
149.13269	3.5
173.11784	13.8
184.07332	84.3
229.14325	76.0
229.16611	3.6
230.14670	3.0
255.15804	19.5
263.23694	3.7
311.25830	23.9
337.27325	40.6
491.37259	100.0
492.37750	4.2
551.57703	3.0
688.46942	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	688.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34468	0.6
51.63227	0.6
55.01855	0.7
55.05506	3.4
57.03405	1.0
57.07072	29.1
58.07422	0.7
59.05010	1.3
60.08144	1.9
67.05498	6.1
68.05813	0.7
69.03413	1.3
69.07063	4.2
71.04998	0.9
71.07371	0.9
71.08626	23.2
71.41982	0.6
72.09264	0.7
73.02908	1.1
73.06548	8.8
79.05483	2.7
81.03421	2.9
81.07044	3.3
83.05002	0.8
83.08625	3.1
85.02871	0.7
85.10175	16.0
86.09701	7.7
87.04455	8.8
89.06025	100.0
91.05463	3.5
91.07619	1.0
93.07020	3.7
93.18505	0.6
95.04947	2.2
95.08598	2.4
97.06469	0.7
97.10158	3.7
97.24086	0.7
98.98451	1.1
99.11718	3.2
103.80656	0.6
105.07030	2.5
107.07053	2.3
107.08556	1.4
109.10155	3.0
110.10464	0.7
111.11718	2.8
113.13277	2.8
117.09126	8.0
119.08575	1.7
121.10139	1.7
124.99975	4.7
127.14789	0.8
130.08624	1.6
131.07047	2.6
131.08524	1.1
133.08594	47.6
134.08864	0.8
135.10153	1.0
135.11613	0.6
143.08723	0.7
147.11662	1.4
149.13391	0.8
161.11743	2.2
169.19521	2.9
175.09573	1.6
177.11217	19.4
177.40584	0.6
181.78925	0.7
184.07327	27.6
193.12303	1.4
211.13272	1.4
213.22182	2.7
221.13873	3.9
227.12866	0.8
229.14320	2.0
239.14873	0.9
257.24750	7.5
265.16391	1.5
283.17606	1.4
301.27298	4.6
309.19034	0.8
335.25842	1.7
336.25858	1.0
425.51416	0.6
491.36328	1.1
503.30405	1.9
526.94452	0.7
577.35077	0.8
671.49078	2.9
688.51917	1.8
689.42419	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44062	0.2
53.87485	0.3
54.09951	0.3
56.19846	0.2
69.82505	1.0
77.92091	0.2
89.36683	0.2
125.46046	0.3
127.00060	0.4
134.77254	0.3
137.06001	0.5
151.03836	0.5
153.01848	0.5
167.03180	0.5
179.07135	0.3
185.04219	0.6
205.48669	0.2
227.05273	1.2
240.96761	0.3
271.04141	2.3
351.10489	0.3
353.36902	0.2
359.15106	0.3
425.12073	1.7
440.14417	2.5
441.15070	5.2
495.47412	0.3
582.82031	0.3
603.20477	4.0
627.19958	0.3
645.21472	28.2
646.21942	2.4
679.92493	0.3
689.20447	100.0
690.20728	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	689.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45040	0.4
53.03942	0.6
53.32542	0.4
54.04330	0.4
55.01878	0.4
55.05498	1.0
57.03425	0.8
61.02924	3.6
66.08314	0.4
67.05499	2.8
67.68069	0.3
69.03427	2.0
69.07071	0.8
73.02911	2.1
79.05488	5.9
81.03414	1.6
81.07057	3.2
83.04986	1.3
83.08617	1.1
85.02900	3.2
91.03957	1.8
91.05470	4.3
93.07030	4.2
95.04976	2.1
95.08609	1.8
97.02893	3.1
97.06551	0.6
98.22666	0.8
99.04456	0.8
101.02367	1.3
105.06994	3.1
107.08597	1.1
109.02868	0.9
109.06486	0.4
117.07034	0.8
119.08598	1.7
119.88251	0.4
121.06456	0.4
123.08060	0.8
127.03897	1.1
129.06992	1.4
133.10121	1.0
143.08560	0.4
145.10133	0.9
147.11668	2.2
161.13254	1.0
171.11697	1.7
189.12720	0.5
222.75902	0.4
243.08444	1.8
247.13046	1.8
303.15515	0.8
465.20929	13.4
524.10333	0.4
689.34943	100.0
690.35278	7.5
705.31250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.7
55.01857	7.9
55.05255	2.7
55.05506	40.1
57.03436	15.3
57.07067	5.4
61.02922	11.5
65.03920	4.9
67.05501	76.6
67.05865	3.6
69.03423	30.0
69.06707	2.1
69.07066	27.6
69.19193	8.4
71.01349	2.7
71.04984	15.7
71.08620	2.2
73.02905	6.0
77.03953	3.1
79.05486	59.2
81.03409	80.5
81.07050	100.0
82.03751	1.9
82.07385	2.1
83.04971	23.4
83.08614	16.6
84.46749	1.4
85.02898	14.0
85.06530	7.1
91.03929	4.1
91.05470	58.8
93.07038	73.6
95.04955	17.9
95.08600	45.9
97.02879	39.0
97.06527	9.0
97.10163	5.9
98.23517	2.8
99.04459	9.7
99.08110	2.8
105.04518	3.2
105.07018	55.4
107.04955	5.7
107.08587	38.0
108.08939	2.1
109.02879	9.2
109.06522	10.8
109.10135	21.2
111.04411	5.6
111.08052	5.4
115.05426	3.8
116.06229	2.1
117.07009	26.3
119.08569	44.7
121.06467	5.3
121.10148	27.7
123.08084	5.5
123.11699	7.3
125.09595	3.4
127.03901	15.3
128.06216	4.8
129.05467	7.6
129.06987	20.8
131.08563	41.1
133.06453	4.5
133.10120	30.8
135.08076	4.6
135.11694	11.9
137.09583	4.6
139.11154	3.0
141.07001	8.9
142.07784	4.4
143.08539	22.7
144.09218	2.4
145.06500	2.7
145.10114	30.0
147.08037	7.3
147.11662	29.4
149.09605	6.7
149.13293	12.6
151.11128	2.7
152.06244	1.9
153.07051	1.7
154.07649	3.1
155.08513	16.5
156.09344	3.1
157.10095	25.6
159.08047	3.2
159.11674	23.5
161.09634	3.8
161.13269	10.8
163.11116	2.3
165.06993	2.0
165.12746	6.4
167.08530	6.8
169.10117	16.6
171.07991	2.5
171.11653	22.2
173.04475	17.6
173.09509	3.0
173.13223	11.8
175.11177	4.4
175.14833	4.0
177.12711	4.6
178.79617	1.5
179.08609	3.1
181.10158	8.6
183.11723	14.1
184.07307	2.3
185.09555	1.6
185.13206	14.8
187.11227	1.8
187.14844	5.8
189.16342	1.8
195.08044	2.3
195.11665	9.2
195.13675	3.2
197.13203	11.1
199.11247	3.7
199.14784	7.6
201.09038	1.9
205.10236	2.2
207.11690	4.7
209.13286	7.6
211.11156	2.0
211.14795	5.2
213.16412	4.2
221.13321	3.4
223.14835	3.3
225.12817	2.4
225.16510	3.8
229.14201	2.8
231.17636	2.0
231.20857	2.1
233.13245	2.7
235.14799	1.8
237.16504	2.3
241.19446	5.4
243.20978	1.9
257.18936	2.0
259.20578	9.2
261.22064	8.1
267.15848	12.3
269.17523	7.5
271.20547	2.0
273.18799	2.2
275.20056	3.6
283.20392	2.2
285.16943	3.8
289.21851	2.1
291.19403	4.3
297.22253	2.5
299.20181	2.3
301.21640	3.1
308.06699	2.2
309.22058	2.7
313.21561	2.6
315.23026	2.4
327.23007	1.9
333.24225	9.1
335.25638	6.4
337.16394	2.2
339.18045	2.1
339.23099	1.8
351.23022	1.8
353.24680	2.1
367.22552	6.4
369.24301	3.1
385.23734	2.2
411.20425	2.6
413.21661	3.6
417.31516	4.4
435.32605	13.9
453.33542	6.5
471.34171	5.1
492.33810	2.1
509.36426	4.8
517.38959	3.9
525.35187	5.0
527.37311	93.2
528.37555	5.9
529.39221	3.5
539.37085	2.8
545.38098	10.6
561.35699	2.6
635.39160	5.7
653.40424	9.3
671.41028	16.5
689.42688	46.0
690.42853	4.3
703.25275	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01856	9.1
55.05507	31.5
57.03431	15.1
57.07069	2.4
57.23778	1.8
61.02913	9.1
61.88595	1.9
65.03933	7.0
67.05501	97.0
69.03426	30.0
69.06705	2.9
69.07063	34.7
71.01340	2.8
71.04984	11.3
72.04175	2.0
73.02901	9.0
79.05485	72.9
81.03413	55.6
81.07050	100.0
82.65198	2.0
83.04967	17.0
83.08611	20.0
85.02896	17.6
85.06522	5.5
89.50719	1.8
91.03948	8.0
91.05470	73.8
93.06443	4.1
93.07036	79.5
95.04970	24.5
95.08601	53.4
97.02884	23.3
97.06535	12.5
97.10136	4.9
99.04424	6.3
99.08049	3.2
101.02358	3.5
103.03966	2.1
103.05444	3.3
105.04504	3.7
105.07022	62.9
107.04939	9.0
107.08583	40.8
109.02873	9.6
109.06499	9.3
109.10142	15.9
111.04444	5.8
111.08061	8.5
113.05985	2.8
115.05424	5.6
116.06211	2.1
117.07015	33.0
119.04913	2.5
119.08567	53.2
121.06493	8.3
121.10128	31.7
123.04422	3.4
123.08045	6.4
123.11721	15.3
125.09575	4.1
127.03900	13.2
128.06198	7.3
129.05472	5.0
129.06996	27.6
130.07823	4.1
131.04886	2.2
131.08569	42.1
133.06456	5.7
133.10110	31.6
135.08051	8.8
135.11676	20.3
137.05917	3.2
137.09602	2.9
141.06966	14.4
142.07785	6.6
143.08554	24.9
145.06444	5.1
145.10101	33.3
147.08031	6.1
147.11685	31.5
149.05942	2.4
149.09604	6.8
149.13286	15.2
151.07506	2.2
153.07004	3.8
155.08508	19.3
156.09279	3.5
157.10107	31.4
159.08063	5.1
159.11678	30.9
161.09619	3.4
161.13245	12.0
163.11166	4.9
165.06938	2.5
165.12769	10.1
167.08542	8.4
168.09296	2.5
169.10141	19.2
171.08035	4.4
171.11658	21.1
173.04463	3.4
173.06021	2.5
173.09648	3.7
173.13258	15.0
175.11133	5.9
175.14842	5.4
177.12730	5.3
179.08521	5.4
179.14326	2.9
181.10028	11.2
183.08133	4.0
183.11636	21.8
183.13222	2.4
185.09648	4.6
185.13240	14.6
187.11247	3.7
187.14751	5.5
193.10190	4.7
195.08073	2.1
195.11743	10.9
195.13799	8.7
197.09550	4.1
197.13170	12.4
199.11252	4.8
199.14859	10.1
201.12648	2.7
205.10181	2.1
207.11734	6.8
209.13211	9.0
211.11215	3.3
211.14761	8.0
213.12836	2.2
213.16423	4.4
215.14401	3.3
215.18054	2.7
219.11659	2.9
221.13246	2.9
223.14819	5.8
225.16377	3.4
233.13249	3.3
235.12964	2.6
237.16449	2.7
239.14325	2.6
241.19548	5.8
243.21271	2.4
255.13849	3.0
257.19131	3.6
259.13123	4.0
259.20563	8.9
261.22037	5.1
267.15784	11.2
269.17401	17.7
271.20496	2.1
273.14886	2.7
285.16928	4.4
297.22336	2.1
299.19971	2.8
301.21521	8.4
309.22168	2.4
313.21472	5.1
315.23303	2.9
323.23737	3.0
325.21533	3.2
327.23077	4.2
333.24118	8.4
335.25754	7.6
337.16501	3.5
337.25168	2.5
339.18015	2.7
339.23019	3.5
345.24216	3.6
349.21503	4.2
351.23059	4.9
367.22562	7.5
369.24265	3.6
375.25348	2.5
385.23767	4.4
387.24915	3.0
403.24948	2.7
411.19803	2.7
413.21445	5.4
435.32513	11.5
453.33478	5.1
459.27328	3.1
468.44052	2.5
509.35895	4.1
525.35455	4.6
527.29266	5.0
527.37262	98.3
528.37512	8.3
539.37231	4.1
543.35596	4.1
545.38367	3.9
567.36542	3.0
569.38379	3.4
593.38660	2.8
597.37292	2.5
623.39539	5.4
635.39246	12.6
653.40326	15.7
671.41327	21.3
689.42596	33.1
690.43500	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.6
53.03936	8.8
55.01866	7.3
55.05506	31.9
57.03434	14.2
57.07065	6.4
60.08156	4.6
61.02925	10.4
64.08891	1.4
65.03930	4.7
65.74671	1.5
67.05499	72.5
69.03428	25.1
69.07060	24.9
71.01365	1.7
71.04971	9.8
71.08635	2.8
73.02916	8.7
79.05038	3.4
79.05487	54.3
81.03410	60.0
81.07050	78.8
83.04978	18.4
83.08620	15.8
85.02910	17.3
85.06547	4.0
85.96456	1.4
86.09694	26.1
87.04448	1.9
87.10030	1.8
89.06030	5.1
89.56647	1.5
91.03947	5.0
91.05470	54.3
93.07038	61.0
95.04962	20.2
95.08016	3.0
95.08600	41.9
97.02884	27.4
97.06527	8.4
97.10165	6.8
98.17268	1.7
98.98485	1.9
99.04443	7.2
99.08090	3.4
105.04511	3.8
105.07022	41.1
107.04948	6.5
107.07915	3.1
107.08579	34.2
109.02871	9.7
109.06509	6.7
109.10146	16.1
111.04460	3.1
111.08100	4.1
112.01327	1.6
115.05442	3.8
117.06995	27.4
119.08575	37.7
121.06485	4.1
121.10130	23.6
123.08042	4.8
123.11705	7.7
125.00007	17.6
127.03883	9.5
128.06221	5.6
129.05492	9.9
129.06987	22.4
130.07727	2.8
131.08562	38.8
133.06490	3.1
133.08598	3.6
133.10124	25.3
135.08038	5.5
135.11690	15.1
137.09586	4.1
137.13245	2.8
141.06964	10.3
142.07759	7.2
143.08546	27.1
145.04913	1.7
145.06476	5.5
145.10109	30.0
147.08000	2.0
147.11671	26.8
149.09579	3.2
149.13226	10.2
151.11212	2.1
153.07080	1.9
155.08543	15.3
156.09326	3.1
157.10112	21.2
159.08080	2.9
159.11661	22.6
161.13219	9.5
163.11217	2.5
165.06924	2.4
165.12798	8.0
167.08537	6.1
169.10088	15.8
171.08128	2.4
171.11658	19.0
173.04459	12.5
173.09654	3.0
173.13248	11.0
175.11308	2.1
175.14806	3.6
177.12746	3.6
179.08546	5.3
181.10130	8.7
182.39153	1.8
183.11661	16.3
184.07333	75.0
185.07672	11.1
185.09410	3.8
185.13252	13.5
187.11221	2.3
187.14772	4.6
193.10143	3.1
193.12190	2.5
195.11699	10.3
195.13603	3.3
197.13171	13.5
199.11183	3.8
199.14832	9.1
201.12723	3.0
201.16371	2.9
203.14351	2.2
205.12115	1.7
207.11688	3.8
209.13239	7.4
211.14835	5.3
213.14647	1.8
213.16458	4.5
215.17952	2.2
221.13371	3.3
223.11230	2.1
223.14799	6.2
225.16312	3.0
229.14243	2.5
235.14853	2.9
237.16449	3.0
241.19476	5.9
249.16394	2.2
257.19016	2.8
259.20581	9.1
261.22186	3.9
267.15805	9.3
269.17291	8.1
270.88614	1.9
271.20551	3.4
273.18567	1.8
275.20200	3.3
285.16989	2.1
285.22211	1.6
287.19922	2.4
295.20361	2.0
297.21869	2.4
301.21616	3.9
309.22037	3.6
311.23654	1.8
313.21603	1.9
321.17212	2.4
323.23752	2.4
327.23267	2.5
333.24136	6.5
335.25720	6.9
339.23126	2.9
351.22937	3.1
357.24033	2.1
367.22540	5.1
369.24081	2.0
385.23648	2.6
403.24878	1.8
411.19858	2.4
413.21622	2.8
417.31265	3.3
425.33783	1.9
435.32645	12.3
441.26343	2.5
453.33453	7.5
471.34265	5.3
509.35953	5.5
515.35822	1.6
517.38599	3.6
525.35657	4.3
527.37311	100.0
528.37500	7.5
539.37036	3.3
543.36658	1.9
545.38544	7.9
569.38116	4.0
593.38434	2.4
635.39246	7.7
640.02594	1.7
653.40704	7.7
671.41345	14.4
689.42554	45.4
690.42670	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	690.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01865	2.5
57.03437	6.5
61.02918	2.5
69.03423	9.8
69.25844	2.5
69.26250	4.4
71.01338	1.6
73.02913	9.9
79.05472	3.3
81.03404	4.8
85.02897	16.7
91.05457	10.0
93.89449	1.1
95.04973	1.8
97.02892	8.5
99.04482	1.5
103.05464	18.7
105.07019	12.2
107.04929	11.5
109.02886	2.5
109.06543	1.8
111.04369	1.6
115.03916	6.2
115.05457	4.2
117.07021	1.6
119.04919	9.5
121.06493	3.8
122.03652	3.3
123.08010	1.3
127.03893	3.2
129.06993	4.0
131.04916	35.4
131.05899	1.8
131.08560	1.3
133.02812	1.6
133.04977	1.7
133.06470	13.7
135.08034	4.7
137.05963	100.0
143.04974	1.2
143.08507	1.0
145.04950	1.6
145.06496	2.3
146.03571	1.1
146.07298	1.6
146.64131	1.3
147.04404	14.0
149.05962	13.8
151.03908	1.7
151.07524	30.3
157.06480	2.2
159.08046	1.2
160.05222	2.0
161.04953	0.9
161.05963	44.7
161.09578	10.2
162.06699	4.2
163.07529	80.4
165.06981	1.3
165.09077	8.1
167.07045	3.4
167.08429	1.5
169.06532	1.3
174.06750	1.9
175.07533	14.8
177.05487	6.9
177.09085	26.8
179.07033	11.0
179.10709	1.4
181.08583	7.1
183.10170	3.1
187.07527	2.2
189.09085	28.3
191.07011	8.8
193.06537	1.4
193.08611	1.7
195.08083	3.3
195.10156	3.2
197.06033	1.7
201.09114	1.5
203.06976	3.9
205.08588	2.0
207.10144	49.1
215.07060	3.0
217.08626	1.6
219.02107	1.2
219.10164	4.3
221.09706	2.2
221.11659	12.6
223.07527	1.8
224.08054	1.4
225.09123	2.0
227.10713	4.8
229.08534	1.8
233.07936	1.1
237.09230	1.3
245.08206	2.2
247.19801	1.1
249.09003	1.3
253.08557	2.8
253.12209	3.7
255.10161	4.8
261.09009	1.2
263.09198	1.9
265.08429	1.3
269.08203	1.2
273.11136	1.2
275.09061	2.1
285.11111	3.3
287.12704	9.5
291.12219	2.8
293.10110	2.0
297.11099	2.2
299.12726	3.1
304.68802	1.2
311.11560	2.2
313.14368	12.6
325.14557	2.3
331.15353	73.6
332.15662	2.0
343.15445	7.3
345.16968	1.5
438.95782	1.1
493.18286	1.0
553.74628	1.0
564.98279	1.2
628.84167	1.1
695.87109	1.2
718.44537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.5
57.03425	10.7
58.88498	3.1
67.05489	17.4
69.03436	3.8
69.07052	5.0
73.02868	2.6
79.05476	19.1
81.03407	40.2
81.07050	22.9
83.01329	3.8
83.04969	14.2
83.08606	20.1
85.02883	14.5
85.06468	2.9
91.05452	15.3
93.07023	16.9
95.04954	18.1
95.08607	9.6
97.02886	3.3
97.06508	6.0
97.10163	4.8
97.35550	3.0
98.22706	8.7
105.07003	20.2
106.28439	2.7
107.04942	9.9
107.08579	11.5
109.06537	6.0
109.10141	5.1
111.08096	7.6
114.20561	2.6
117.06997	5.5
119.08553	15.8
121.06490	3.0
121.10130	9.1
123.08046	4.5
129.07014	5.6
130.61322	2.8
131.08549	7.7
133.10132	5.3
135.11665	3.4
137.09650	3.4
145.10115	10.1
147.11708	9.2
149.09656	3.2
157.05864	3.4
157.10104	9.4
163.11142	17.8
175.11186	9.0
192.87042	2.6
193.12248	29.3
209.11656	6.4
211.13248	43.7
227.12830	3.7
267.15903	11.7
267.32135	3.1
283.15344	48.4
285.16916	37.2
286.87564	3.5
433.36157	3.0
457.25842	4.2
475.26923	11.5
493.27936	100.0
494.27988	7.0
518.28821	2.9
526.63135	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	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03943	2.7
55.01862	4.2
55.05510	16.1
57.03429	15.5
61.02905	2.1
65.03965	1.7
67.05499	29.2
69.03419	3.9
69.07061	8.9
71.04990	6.4
79.05487	35.2
81.03412	48.2
81.07051	31.4
83.01353	1.7
83.04962	12.9
83.08617	18.7
85.02905	17.5
91.05466	26.8
93.07039	42.1
95.04964	24.3
95.08602	37.5
97.02847	6.3
97.06541	5.4
97.10155	2.4
99.04466	5.2
105.07014	19.0
107.04951	11.3
107.08588	23.6
109.06519	5.2
109.10130	3.2
111.04444	3.8
111.08098	8.9
113.06001	4.1
117.06996	10.6
119.08568	21.9
121.06510	7.3
121.10132	15.6
123.08067	3.4
125.05987	2.7
125.09692	1.5
129.07002	7.6
130.07800	1.8
131.08563	8.3
133.06438	1.9
133.10117	8.6
135.08072	2.0
135.11676	40.2
137.09576	2.3
145.10117	24.4
147.08008	1.2
147.11678	10.0
149.09647	4.1
157.10101	11.4
163.11169	50.2
164.11510	2.0
165.12682	1.7
173.09596	2.2
175.11159	10.9
181.12204	7.9
193.12222	24.3
194.12587	1.8
211.11227	1.6
211.13266	39.0
227.12762	54.2
228.13184	1.5
237.30229	1.5
267.15863	27.8
268.16092	1.4
283.15369	60.3
284.15735	3.5
285.16937	55.6
286.17316	1.6
426.90088	1.3
475.26834	35.4
476.27414	2.3
493.27924	100.0
494.27887	5.8
690.32007	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01870	4.3
55.05502	8.8
57.03439	6.7
57.07050	0.8
59.04987	1.4
61.02919	1.7
67.05502	11.2
67.50792	0.6
69.03425	1.8
69.07060	3.0
69.35677	2.7
71.04982	2.8
79.05483	14.0
81.03409	26.3
81.07051	14.0
83.01322	3.0
83.04972	10.5
83.08614	13.8
85.02899	10.7
85.06512	1.3
91.05470	14.5
93.07039	13.9
95.04343	0.8
95.04955	14.6
95.08607	5.8
96.71740	0.6
97.02863	3.0
97.06509	4.0
97.10151	2.2
99.04427	1.5
105.04576	0.8
105.07026	11.2
107.04948	5.2
107.08585	9.8
107.92867	0.6
109.06519	5.4
109.10154	2.0
111.04429	2.6
111.08060	4.5
113.06001	1.1
115.05420	0.6
117.07005	3.6
119.08577	10.1
121.06490	2.2
121.10124	6.6
123.08067	5.0
123.11710	0.9
125.05953	0.9
125.09624	0.9
129.07007	4.8
131.08575	5.2
133.06424	0.7
133.10127	5.3
135.08032	1.8
135.11682	6.1
137.09593	1.5
142.07735	0.8
145.10110	8.8
147.08034	2.2
147.11674	5.5
149.09595	2.8
151.11214	1.7
151.21754	0.7
152.05289	0.7
153.12715	1.6
157.10104	5.2
163.11166	13.2
165.12746	1.6
166.87912	0.6
173.09593	1.6
175.11168	6.3
181.12186	2.3
191.10669	1.4
191.72018	0.6
193.12227	17.9
209.11652	3.7
211.13257	22.3
212.13718	0.9
227.12784	3.3
267.15894	6.9
283.15372	37.1
284.15649	1.6
285.16931	22.5
286.17194	1.0
383.22186	1.3
457.25775	2.1
468.66333	0.7
475.26868	12.1
476.27087	1.1
493.27914	100.0
494.28201	7.1
621.53522	0.6
645.13458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01867	2.7
55.05519	9.3
57.03430	6.7
59.04991	1.2
61.02926	2.7
63.47976	1.2
65.03937	2.9
67.05499	51.3
69.03436	2.5
69.07074	9.1
69.72995	4.1
71.04985	15.0
73.02870	1.2
73.06552	1.5
79.05485	33.9
81.03405	11.8
81.07054	26.2
82.03764	1.3
83.04983	9.2
83.08613	5.6
85.02902	3.1
85.06535	3.8
91.05477	33.6
93.07039	35.3
95.04976	11.9
95.08595	14.9
97.02870	1.8
97.06519	5.6
97.10133	3.1
99.04436	1.1
105.07026	18.4
107.04941	4.8
107.08586	14.3
109.06536	2.8
109.10148	29.8
110.10469	1.3
111.08096	2.1
112.71165	1.2
117.06995	6.2
119.08570	18.7
121.06476	2.2
121.10107	6.0
123.08047	3.0
125.09590	1.3
129.06993	7.5
131.08582	2.9
133.10124	9.3
135.11696	12.8
137.09624	5.4
143.08519	4.3
145.10103	9.0
147.08035	1.6
147.11685	11.0
155.10629	1.6
161.13228	5.0
163.11226	2.3
169.20544	1.6
171.11678	9.8
173.11729	3.4
181.12199	1.5
184.07277	1.7
189.12733	2.2
193.12221	2.1
207.13757	10.4
211.13307	3.9
237.15076	1.6
243.15976	1.9
253.14194	1.9
255.15851	7.1
267.15930	5.0
281.17508	11.8
283.15454	3.8
287.18439	8.6
301.16486	1.8
418.30856	1.3
435.27307	32.5
449.28903	3.4
461.28946	100.0
462.29178	5.6
475.26852	2.3
493.32123	19.6
637.35931	2.4
691.32672	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	690.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.6
57.74777	0.4
58.06601	0.5
60.07867	0.5
60.08159	5.9
62.15875	0.4
67.05502	0.8
69.07059	0.5
71.07368	3.4
75.75198	0.5
79.05486	0.4
81.07023	0.7
86.09696	27.0
98.98447	3.5
104.10716	1.6
109.10188	0.4
124.99987	18.5
146.15068	0.4
184.07318	100.0
185.07590	0.9
217.84221	0.4
313.38297	0.5
322.12531	0.4
356.09662	0.5
409.05484	0.5
690.37061	0.7
690.47021	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	690.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.8
57.03436	14.6
57.07071	18.1
60.38488	1.8
61.02903	3.6
64.08639	2.1
65.03909	2.5
67.05495	25.4
69.03416	2.3
69.07065	12.0
69.22736	4.8
69.23154	8.2
71.04984	3.6
71.08629	13.0
71.69812	2.0
79.05480	24.4
81.03413	5.4
81.07032	17.7
83.04987	4.5
83.08614	9.3
83.66878	1.8
85.10184	6.7
86.09657	3.2
89.06051	1.9
91.05457	8.2
93.07041	25.2
95.04957	3.8
95.08588	10.8
97.02882	2.0
97.06527	7.2
97.10176	7.3
105.07074	2.8
107.08601	21.0
109.10150	10.4
111.08068	2.7
119.08450	2.1
121.10129	4.9
122.00880	1.9
125.00022	2.7
133.10086	2.6
135.11670	22.6
145.10121	2.6
163.11215	3.1
181.12224	7.3
184.07321	12.5
185.80106	2.2
229.14241	3.1
255.15900	100.0
313.27325	40.5
339.29047	3.7
372.13571	2.2
374.76508	2.1
493.38812	71.9
494.38950	6.4
499.26227	2.1
519.36499	5.0
658.26611	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	691.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01865	0.6
55.05513	1.8
57.03434	1.6
61.02924	4.0
63.05132	0.3
67.05160	0.5
67.05502	3.8
69.03415	2.2
69.07072	0.8
70.38132	0.6
71.01353	0.5
71.04996	0.5
71.87684	0.3
73.02923	2.9
79.05486	4.4
81.03420	2.7
81.07048	3.0
83.01370	0.5
83.04984	1.1
83.08620	0.8
85.02905	4.1
91.03957	2.1
91.05468	2.8
93.07030	3.9
95.04982	1.1
95.08615	1.6
97.02885	3.7
97.06535	0.6
98.23384	0.4
99.04478	1.1
101.02398	1.7
103.03928	0.4
105.07020	2.2
107.04980	0.8
107.08572	1.9
109.02882	0.8
109.06542	0.8
109.10155	0.5
117.07040	1.2
119.08580	2.1
121.10174	0.7
123.08084	0.9
123.84616	0.4
127.03943	1.4
129.07051	1.2
133.10161	1.1
135.11703	0.9
143.08557	0.7
145.10117	1.7
147.11719	1.2
163.11176	1.9
166.17789	0.3
171.11697	0.8
181.12268	0.7
185.04254	0.9
209.11832	0.4
238.25241	0.3
243.08412	1.7
247.13214	1.3
249.11107	0.6
283.15485	0.9
338.81232	0.4
357.08118	0.4
420.19519	0.4
465.20999	5.8
467.18884	8.3
691.32916	100.0
692.33295	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	691.402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05509	0.8
55.75588	0.4
57.03430	1.7
59.04976	0.4
61.02920	4.9
67.05495	8.7
69.03418	2.7
69.07074	0.6
71.04990	0.6
71.08493	0.6
72.00178	0.4
73.02906	3.2
79.05487	1.9
81.03420	1.2
81.07066	2.5
83.08614	1.3
83.43268	0.5
85.02892	5.4
91.03942	2.6
91.05488	1.3
93.07043	1.4
95.04957	0.5
95.08611	1.7
97.02883	4.3
99.04467	0.6
101.02361	2.0
105.07039	0.4
107.08629	0.8
109.02882	0.8
109.10136	5.9
109.10801	0.6
119.08550	0.5
121.10117	0.7
125.69341	0.4
127.03942	1.2
163.02867	0.4
173.11751	1.7
185.04198	0.7
192.04738	0.4
195.09912	0.5
221.04536	0.4
229.14487	1.0
243.08469	2.5
413.17746	8.7
460.32376	0.4
519.29321	4.4
691.40167	100.0
692.40643	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	691.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05506	1.4
57.03435	2.3
57.31704	0.6
61.02925	7.6
67.05505	8.5
69.03419	4.2
69.07072	0.9
70.67332	0.5
71.01337	0.6
71.04977	0.9
71.08451	0.9
73.02917	5.3
75.04861	0.5
79.05478	4.6
81.03424	1.7
81.07057	4.3
83.08612	1.2
85.02899	6.4
91.03945	3.5
91.05490	2.4
93.07038	4.8
95.08595	3.3
97.02892	6.1
98.89783	0.6
99.04469	1.3
101.02377	2.7
105.07024	0.8
107.08596	2.3
109.02883	0.8
109.10152	6.6
115.03917	0.6
121.10160	2.0
127.03917	1.9
135.11668	0.6
145.04971	0.8
149.13277	0.9
173.11732	1.1
195.09947	1.5
203.05536	0.6
230.44582	0.6
243.08511	2.4
335.25836	1.1
413.17743	5.1
519.29236	7.8
691.40198	100.0
692.40631	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	692.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03945	0.6
66.96223	0.3
69.03429	2.8
71.04979	0.3
79.01846	2.6
81.03407	5.0
85.02896	2.7
91.05467	1.0
94.04179	0.4
95.44021	0.3
97.02886	5.0
99.04443	0.6
107.01302	1.2
107.04952	0.4
109.02859	4.4
111.04418	0.4
115.03867	0.4
116.62595	0.4
119.04915	1.1
121.06477	0.3
125.02338	3.0
127.03909	6.1
128.04480	0.3
129.06992	0.4
131.04906	0.9
137.05963	7.8
143.03369	4.3
145.04955	0.7
149.05960	0.7
151.03941	0.5
151.07542	4.8
153.01810	100.0
154.02161	1.8
157.06523	0.6
161.05956	1.2
161.09494	0.3
163.07497	2.8
171.02863	10.4
171.04340	0.7
174.06732	0.5
175.07541	1.2
177.09090	3.9
189.09117	1.9
195.08057	0.8
195.10019	0.4
207.10252	0.6
209.07951	0.4
213.03850	0.5
219.10103	0.4
221.05841	0.4
221.09642	0.6
221.11630	0.6
223.07462	0.7
227.10652	1.3
237.08919	0.5
249.11105	0.5
253.08531	1.0
253.12234	0.8
255.05153	0.3
255.10130	1.1
267.10074	0.4
281.11722	0.6
285.06039	3.0
285.11154	1.0
287.12720	2.6
293.08228	0.3
293.11780	0.4
297.06006	4.4
297.11215	0.5
299.12769	1.0
311.12796	0.9
313.14310	2.5
315.07062	17.2
316.07272	0.3
331.15359	14.2
341.13788	0.4
343.15311	3.4
355.15271	0.7
389.13947	0.4
397.16556	0.5
421.16388	2.3
439.17300	0.9
483.16464	1.0
483.39163	0.3
551.52948	0.3
627.20380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.3
69.03421	1.3
70.13017	0.4
70.13355	0.6
79.01841	1.0
79.05476	0.7
81.03410	1.5
81.26384	0.3
85.02881	0.6
91.05489	1.4
93.07027	0.4
94.04178	0.7
95.04979	0.5
97.02888	1.5
98.23199	0.6
103.05454	7.1
105.07025	0.7
107.01325	0.4
107.04984	0.6
107.08523	0.4
109.02876	1.2
115.05430	0.6
115.65356	0.3
116.74881	0.3
117.07017	2.0
119.04913	0.5
121.06499	0.8
122.03628	1.0
123.08024	0.6
125.02320	1.2
127.03899	1.7
128.06210	0.6
129.06979	0.4
131.04913	16.5
133.06425	0.4
134.07228	0.5
135.08038	0.7
135.25227	0.3
137.05965	19.2
138.06346	0.5
143.03407	1.6
143.08553	0.8
145.06462	0.7
147.08011	0.6
149.06007	0.6
149.09554	0.4
151.07523	5.2
153.01814	26.7
153.02890	1.1
154.02202	0.6
161.05927	2.1
162.06731	2.2
163.07527	41.5
164.07880	1.0
167.06990	0.9
171.02840	1.7
171.08052	0.8
175.07520	2.7
177.09093	100.0
178.09447	2.7
189.09073	0.8
195.08539	0.4
195.10129	2.5
203.10628	0.9
219.10150	0.7
221.11703	20.4
222.12047	0.5
227.10635	0.4
250.10130	0.5
261.09277	0.5
265.08618	1.0
267.10089	0.5
278.09277	0.3
285.06287	0.4
285.10983	0.4
293.11688	0.8
297.05969	1.0
299.12720	0.9
311.12747	2.9
313.13986	0.5
315.07077	1.9
327.15869	0.3
331.15417	2.0
343.15396	3.4
484.32074	0.3
543.58289	0.3
667.80566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
61.27159	0.3
64.65025	0.3
71.42136	0.3
75.39154	0.3
79.01844	3.2
88.01861	0.3
91.05481	1.0
93.07070	0.4
94.03056	0.3
95.04943	0.4
97.02868	1.0
98.23308	0.4
100.11231	0.9
103.05464	4.1
107.01275	0.7
107.04923	0.5
115.05402	0.5
117.07019	0.5
119.04928	0.4
121.06459	0.4
122.03627	0.7
125.02316	2.2
128.06212	1.1
129.07018	0.8
131.04922	7.8
137.05969	7.7
143.03392	5.9
143.08562	2.4
151.07536	1.8
153.01816	100.0
153.02853	4.0
154.02200	1.4
157.06483	0.6
161.05873	0.6
163.07533	18.5
164.07849	0.5
171.08075	2.8
175.07533	4.0
177.09109	4.1
184.89110	0.3
189.09126	1.6
193.10152	0.5
203.10623	2.2
210.14775	0.4
218.21031	0.3
221.06052	0.7
221.09624	0.8
221.11746	0.5
225.08989	0.4
249.09154	0.4
253.08536	0.4
253.12201	1.1
267.10114	0.6
281.11658	0.7
285.11176	1.1
301.07034	0.5
313.14282	1.8
331.15121	0.4
359.11172	1.2
373.12830	6.1
483.16455	12.0
484.16824	0.5
691.50610	0.6
702.49957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
55.05505	15.0
57.03423	14.2
61.02913	4.0
61.57928	2.8
67.05489	29.1
69.03406	7.1
69.07056	12.3
71.04996	5.0
78.94038	2.9
79.05482	25.1
79.59550	3.3
81.02961	5.3
81.03410	92.1
81.07047	31.6
82.70103	2.8
83.04973	22.3
83.08605	31.9
85.02901	40.7
91.05468	37.9
93.07050	23.0
95.04962	32.7
95.08603	9.8
97.02882	4.4
97.06509	3.5
97.10150	6.3
103.55513	3.2
105.07016	33.1
107.04934	7.6
107.08576	9.6
109.06498	7.9
109.10140	6.1
111.04430	5.1
111.08054	10.2
113.06036	3.3
119.08586	21.3
121.10098	11.5
122.78196	2.8
129.06952	17.2
131.08551	14.0
133.06490	3.7
133.10139	14.1
136.37585	3.5
137.09561	4.6
145.10130	4.6
147.08035	6.3
147.11678	30.5
149.09583	9.2
151.09666	3.0
157.10144	19.4
160.00546	3.0
165.12733	6.0
175.11214	23.8
189.59157	3.7
193.12221	63.1
198.26674	3.0
211.13258	68.6
267.15860	33.4
285.16913	70.1
385.23694	6.8
403.24890	3.4
459.27353	32.1
477.28311	36.0
495.29437	100.0
496.29761	4.7
647.30109	3.5
692.34363	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	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
54.94432	1.4
55.01878	3.5
55.05506	19.8
57.03431	16.5
61.02923	4.6
67.05502	30.4
69.03445	5.8
69.07076	8.2
71.04999	6.7
79.05493	38.8
81.03413	96.6
81.07057	31.4
83.04974	24.6
83.08615	35.0
85.02901	34.9
85.06535	2.0
86.36244	1.7
91.03960	2.4
91.05476	46.0
93.07037	26.4
95.04962	42.9
95.08607	13.7
97.02896	6.1
97.06547	5.0
97.10160	7.8
99.08125	2.1
105.04504	1.8
105.07022	36.5
107.04943	11.6
107.08571	10.4
109.06508	5.9
109.10171	2.5
111.04485	3.8
111.08087	15.8
113.06001	3.1
115.05464	2.3
117.07041	2.8
119.08578	24.9
121.06522	4.4
121.10136	14.2
123.08083	3.9
123.11713	2.5
125.06057	1.7
125.09623	2.2
129.07007	16.7
131.08568	20.5
133.06500	3.8
133.10132	16.8
135.08017	1.7
137.09612	2.8
137.42258	1.4
142.07788	3.7
146.22435	1.5
147.08051	5.7
147.11681	19.9
149.09608	8.6
157.10141	22.6
165.12737	4.4
175.11185	22.6
193.12231	67.6
194.12604	2.3
211.13280	100.0
212.13681	3.3
237.88588	1.6
267.15903	32.7
285.16953	79.6
286.17343	2.4
311.34219	1.3
367.22717	3.5
385.23676	4.5
459.27319	17.9
461.39365	1.4
477.28442	23.1
495.29517	62.3
496.29794	4.4
575.88940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40833	3.0
52.68604	3.0
55.01861	7.3
55.05509	31.9
57.03426	19.5
59.05008	4.8
61.02920	8.2
66.85725	2.5
67.05499	100.0
69.03417	3.6
69.07074	15.6
69.55646	3.9
69.56010	10.3
71.04991	6.9
73.02906	6.1
79.05487	37.9
81.03419	9.5
81.07050	69.9
83.04971	11.1
83.08625	20.7
85.02890	17.5
85.06564	3.8
87.04463	5.3
91.05472	26.3
93.07033	38.7
95.04974	9.6
95.08578	19.9
97.02888	7.9
97.06533	7.7
97.10165	10.8
105.07027	10.1
107.04944	3.0
107.08585	25.8
109.06570	3.2
109.10152	43.6
111.08076	6.6
117.07037	6.3
119.08575	10.9
121.10136	5.5
123.11713	5.7
125.09641	11.9
129.05452	3.9
130.66028	2.8
131.08553	5.9
133.10127	11.0
135.08076	3.4
135.11674	10.2
139.11235	2.5
143.10641	2.8
145.10147	5.7
147.11684	5.0
149.13263	11.2
151.80054	2.9
153.12747	3.7
155.10556	4.0
159.11690	5.5
163.11229	7.5
173.11748	17.6
177.12694	6.4
187.84038	2.8
191.10706	2.7
193.12300	4.8
195.13792	10.9
199.13254	6.8
209.11726	6.3
211.13383	3.7
227.12794	8.6
229.14354	40.3
239.16402	4.6
267.15854	8.3
269.17422	49.5
283.15424	4.2
301.16449	16.2
374.15472	3.0
411.27411	6.9
423.27353	29.9
495.29495	59.9
513.30664	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	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83918	1.6
53.03933	3.8
55.01871	15.4
55.05507	29.2
57.03431	25.8
57.07062	4.3
61.02924	11.1
65.03932	3.1
67.05497	88.6
69.03431	7.8
69.07059	24.3
69.75139	2.7
69.75520	3.5
71.04984	8.3
73.02896	5.9
79.05045	3.3
79.05487	57.5
79.05949	3.1
81.03406	24.8
81.07049	90.8
82.04176	3.7
83.01309	2.3
83.04973	19.4
83.08615	24.0
85.02894	11.4
85.06537	4.0
85.96207	1.5
86.09689	5.4
91.05470	36.6
93.07037	65.0
95.04964	22.5
95.08597	24.5
95.09149	2.8
97.02876	9.8
97.06516	15.9
97.10153	14.7
98.07288	4.7
99.04410	2.3
99.08082	3.9
101.02371	1.7
105.04495	3.1
105.07016	16.8
107.04950	9.5
107.08578	41.5
109.02875	1.5
109.06521	6.8
109.10149	16.5
111.04421	2.5
111.08074	9.0
116.04714	7.4
117.07003	13.3
117.17421	1.4
117.52133	1.5
119.08561	13.3
121.06490	6.5
121.10135	23.7
123.08047	4.4
123.11707	5.0
125.00013	4.0
125.09620	12.9
127.03901	3.9
127.11220	1.8
129.05475	22.8
129.06989	5.7
131.08553	16.0
133.06474	1.8
133.10114	15.6
135.08038	4.0
135.11679	14.0
136.99536	1.6
137.05949	1.6
137.09659	2.3
139.11133	2.3
142.07909	1.7
143.07022	4.8
143.10789	1.3
145.10117	6.3
147.08057	2.9
147.11642	6.2
149.09602	4.6
149.13239	35.3
151.11131	2.8
153.09048	2.0
153.12769	2.7
155.10753	1.7
157.08580	11.8
157.10086	4.7
158.05760	2.0
159.11693	14.3
163.11171	8.3
165.12689	2.4
171.06512	2.4
171.10187	1.9
173.09496	3.1
173.11723	3.4
175.11168	3.9
177.12756	7.6
181.12117	2.8
184.07330	19.9
185.07796	1.4
189.11197	4.9
191.10638	3.8
193.12207	5.5
195.13762	15.3
199.13287	10.0
199.72298	1.4
200.13989	2.1
209.11668	6.6
211.13310	5.1
213.14783	1.8
223.13440	1.3
227.12788	10.5
229.14250	2.8
230.66212	1.5
242.06259	1.5
243.15652	1.3
255.16011	3.2
264.17279	1.6
267.15875	10.9
268.16275	1.8
269.17447	91.8
270.17789	2.5
283.15390	14.0
285.16934	4.0
301.16428	45.5
318.34253	1.7
323.18262	2.9
393.26178	3.9
411.27402	8.8
423.27286	24.0
459.27579	6.9
460.27719	1.5
461.28696	5.8
465.21210	1.6
469.20715	2.3
477.28473	21.3
478.29141	8.3
495.29453	100.0
496.29568	6.0
546.93976	1.8
621.32458	2.7
639.33398	4.6
693.34430	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.0
53.03937	4.4
55.01862	16.4
55.05507	34.2
57.03432	29.4
57.07061	3.3
58.53566	2.0
61.02926	10.7
61.83723	2.3
65.03921	2.9
67.05497	91.1
68.60623	2.1
69.03423	6.6
69.07053	25.1
71.01322	2.0
71.04991	8.3
73.02908	8.3
79.05485	61.0
81.03411	30.7
81.07047	100.0
82.04202	4.2
83.04977	21.6
83.08611	29.5
84.66644	1.9
85.02906	11.3
85.06511	4.8
91.03957	4.3
91.05473	39.9
93.06444	3.5
93.07035	69.3
95.04961	20.2
95.08585	28.6
97.02845	9.8
97.06516	18.3
97.10171	14.3
98.07307	6.1
98.23470	6.2
99.08085	4.3
101.06004	2.4
105.07033	20.6
107.04948	11.0
107.08578	43.2
107.09247	3.1
109.06528	7.8
109.10145	19.6
111.04451	2.8
111.08064	10.8
113.05978	2.5
116.04728	10.5
117.06992	13.3
119.08558	14.3
121.06486	6.7
121.10152	19.7
123.08064	7.1
123.11684	6.3
125.09621	16.1
129.05467	30.2
129.06999	5.2
131.08557	15.0
133.10117	23.7
135.08057	5.7
135.11696	21.7
137.09584	3.3
143.06985	5.3
145.10139	7.5
147.07990	3.0
147.11685	10.4
149.09592	5.2
149.13243	28.4
151.11122	2.7
153.12741	6.5
157.08600	14.9
157.10010	4.6
158.05797	2.0
159.11690	12.2
163.11171	13.0
165.12793	2.4
171.06508	2.6
171.10196	2.4
173.09610	3.6
173.11754	6.4
175.11183	4.9
177.12718	7.9
181.12212	2.7
184.07324	2.8
189.11238	6.6
190.59489	1.8
191.10657	7.2
193.12242	6.0
195.13774	28.2
199.13313	15.7
209.11687	10.9
211.13257	11.1
213.14832	5.2
227.12753	10.3
229.14339	5.6
249.14870	2.0
253.14267	3.5
255.15883	2.6
265.14343	3.6
267.15887	12.9
269.17444	92.4
270.17923	4.2
283.15280	14.4
285.16919	7.2
301.16440	55.4
323.18527	4.5
393.26236	5.2
411.27252	9.3
423.27344	34.0
459.27164	4.8
461.29324	3.4
463.30429	3.0
477.28366	23.1
478.28952	4.4
495.29462	89.7
496.29782	5.5
512.01141	2.4
621.32678	3.9
692.32819	4.5
693.34589	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	692.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01862	1.9
55.05508	15.7
57.03441	9.2
57.07065	1.9
58.17677	0.6
59.05001	0.8
61.02917	3.1
65.03942	1.9
67.05502	68.2
67.11715	0.7
67.85798	0.7
69.03421	2.2
69.07059	14.8
71.01358	1.0
71.04988	18.7
72.87831	0.7
73.02908	1.0
79.05486	27.8
81.03407	4.1
81.07051	93.0
83.04982	6.2
83.08614	11.8
85.02916	3.7
85.06538	8.4
87.04436	1.2
89.83486	0.7
91.03944	1.5
91.05472	23.2
93.07037	42.6
95.04973	6.7
95.08601	15.2
97.02896	2.1
97.06525	10.0
97.10136	2.4
98.23414	1.9
99.08090	2.6
105.04512	1.3
105.07014	11.2
107.04958	1.5
107.08589	25.8
109.06516	2.4
109.10147	10.7
111.08097	5.6
113.09623	0.9
117.07009	6.1
119.08580	3.5
121.06508	1.5
121.10136	16.3
123.11702	10.8
125.09626	2.5
129.05518	1.0
131.08571	8.8
131.89970	0.7
133.10124	14.7
135.08063	1.0
135.11699	7.3
139.11140	1.3
145.10068	0.8
147.11691	1.6
149.09604	1.1
149.13248	21.9
151.11198	5.2
155.10706	0.7
159.11688	10.0
163.11198	1.5
173.11760	2.6
177.12712	4.9
183.13779	1.6
187.13301	2.9
195.13766	8.7
213.14923	2.0
216.53333	0.7
225.14873	1.0
227.12813	1.4
229.14339	7.0
248.82289	0.7
269.17447	24.8
270.17767	0.9
283.15466	1.4
283.18710	1.4
301.16525	1.9
301.20096	8.9
391.28162	1.1
423.27438	4.7
437.28964	45.7
438.29309	2.5
451.30518	7.0
463.30502	100.0
464.30869	5.8
495.33459	32.0
496.33499	1.7
513.30225	1.8
630.83710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.01864	3.3
55.05254	1.6
55.05507	20.3
57.03430	10.1
57.07081	2.2
59.04997	2.5
61.02924	5.9
64.07242	1.0
64.16305	0.9
65.03945	3.3
67.05501	78.6
69.03436	2.3
69.07062	15.4
71.04990	20.4
71.08649	1.2
73.02904	2.8
73.21276	1.1
79.05487	32.6
81.03413	7.8
81.07053	100.0
82.07389	1.6
83.04981	6.8
83.08615	16.5
85.02898	8.4
85.06541	8.1
87.04457	2.7
88.76159	0.9
91.03953	2.4
91.05473	28.8
93.07037	39.9
94.07369	1.3
95.04964	7.7
95.08604	18.2
97.02882	3.1
97.06515	9.9
97.10179	4.5
99.04458	1.7
99.08090	2.7
105.04526	1.7
105.07024	12.1
107.04955	2.3
107.08582	25.3
109.06525	3.1
109.10146	21.1
110.01289	0.9
111.08049	4.9
115.05471	1.2
117.07014	8.3
119.08572	4.4
121.06499	2.2
121.10125	9.8
123.11703	11.7
125.09555	4.3
127.03869	1.6
129.05466	1.8
129.06938	1.4
131.08559	7.5
133.10106	19.9
135.08078	1.9
135.11681	8.4
145.05067	1.1
145.10081	1.8
147.11703	2.1
149.09630	1.2
149.13254	13.6
151.11124	6.1
155.10663	1.8
159.11678	8.2
163.11142	1.4
169.12218	1.2
173.11778	5.4
177.12718	4.7
183.13832	2.7
187.13306	3.6
193.12221	1.0
195.13785	13.8
199.13246	2.0
209.11700	2.6
211.13411	1.2
213.14908	1.5
225.14839	1.6
227.12840	1.7
229.14322	19.9
267.15948	2.9
269.17456	39.2
270.17810	1.1
283.15384	1.5
301.16437	4.9
301.20065	12.0
301.23157	1.0
333.39966	1.0
380.14133	1.1
411.27515	1.1
423.27399	14.8
437.28934	58.0
438.29181	2.8
451.30453	6.5
463.30475	23.0
464.30606	1.3
495.33481	67.5
496.33752	4.5
513.30365	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	692.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.3
55.01862	11.2
55.05510	43.3
57.03432	10.7
59.20280	2.5
61.02922	4.9
65.03928	5.5
67.05158	5.0
67.05502	76.0
69.03427	16.5
69.07065	53.9
69.20791	16.1
71.04990	7.6
73.02912	3.8
78.65759	2.7
79.05499	60.8
81.03412	10.7
81.07050	73.9
83.04982	13.4
83.08618	18.0
85.02908	5.3
86.09697	3.0
91.03969	3.3
91.05480	56.3
93.07045	55.3
95.04969	22.6
95.08602	26.5
97.02895	12.2
97.06538	15.3
97.10177	19.7
98.23531	4.9
105.04518	3.3
105.07030	36.8
107.04971	11.5
107.08587	30.8
109.06505	8.0
109.10149	16.5
111.08096	4.6
117.07020	20.9
118.34020	2.6
119.08579	32.1
121.06544	7.5
121.10136	12.8
123.08109	5.1
125.00008	3.6
125.09621	14.5
128.06184	5.0
129.07030	5.9
131.08537	21.3
133.06522	5.3
133.10098	18.6
135.08038	6.1
135.11725	12.5
137.09616	2.8
143.08546	6.4
145.10152	11.1
147.08075	6.0
147.11702	11.8
149.09628	9.4
149.13283	6.7
151.11224	5.7
157.10150	6.7
159.11720	10.9
163.11241	9.4
171.11757	3.0
173.13269	6.1
175.11182	3.0
177.12746	3.8
179.14249	2.9
180.05417	2.5
181.12230	2.7
184.07384	10.7
185.13367	2.6
189.11250	6.3
195.13823	3.8
197.13353	2.7
209.11745	2.9
223.13281	22.9
227.12874	3.8
253.14304	3.8
257.19095	6.0
269.17459	5.3
273.18448	13.5
275.20068	14.4
291.19513	94.4
347.22089	3.7
349.23773	8.2
365.23212	22.2
413.18155	4.7
414.18170	4.4
545.34741	9.8
559.36151	34.6
639.42761	7.0
645.92188	3.3
692.40515	100.0
693.40179	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	693.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01873	0.9
55.05513	2.7
57.03440	2.9
59.04995	0.8
61.02921	3.6
67.05500	6.5
69.03413	3.0
69.07062	1.4
70.08308	0.8
70.08637	1.3
71.04990	1.2
73.02916	2.4
79.05490	6.2
81.03419	6.5
81.07059	6.6
82.07416	0.8
82.50021	0.6
83.01341	0.8
83.04980	2.0
83.08618	3.4
85.02911	5.6
91.03968	2.5
91.05486	3.4
93.07033	6.1
95.04974	3.7
95.08604	3.0
97.02879	3.4
97.06548	1.6
97.10141	0.7
99.04446	1.5
101.02380	1.5
105.07018	3.0
107.04977	1.2
107.08582	4.9
109.02855	0.8
109.10166	2.6
111.04436	0.9
111.08105	1.1
117.06995	1.4
119.08567	2.5
121.10140	2.3
123.08061	1.5
127.03910	1.3
129.07033	0.6
131.08607	1.1
133.10155	1.4
135.11681	6.6
139.89742	0.7
145.10110	3.9
147.08052	0.7
147.11711	1.6
163.11186	7.3
181.12251	1.3
184.07442	0.8
191.10661	0.9
193.12308	2.0
209.11740	1.1
211.13277	1.0
227.12869	2.8
243.08475	2.8
249.10902	7.1
255.15970	3.2
267.15970	2.7
269.17499	1.5
270.17899	0.6
283.15399	1.7
285.16962	1.7
305.13721	1.8
437.25552	1.0
447.27353	6.5
467.18839	16.0
468.19366	1.4
478.28934	2.1
495.29349	1.8
496.29733	3.1
693.30853	100.0
694.31281	7.1
717.20251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.30838	0.6
55.01868	1.6
55.05502	2.4
57.03429	2.4
58.44957	0.4
61.02920	5.6
67.05502	4.7
68.05814	0.6
69.03417	3.2
69.07062	0.7
71.01354	0.7
71.04975	1.4
73.02917	3.4
79.05486	3.7
79.56937	0.4
81.03399	3.6
81.07047	4.8
82.07421	0.5
83.01322	0.9
83.04977	2.1
83.08609	1.7
85.02888	5.9
87.04470	0.6
91.03960	3.5
91.05492	3.2
93.07032	5.6
95.04963	2.2
95.08604	2.1
96.08927	0.7
97.02892	4.7
97.06505	1.1
98.23449	1.0
99.04453	1.5
101.02374	2.0
105.07050	2.2
107.04947	1.7
107.08602	3.5
109.02877	1.0
109.06512	1.6
109.10153	2.0
111.08106	0.8
115.03972	0.7
117.07043	1.5
119.08578	2.3
121.06516	0.7
121.10161	1.9
123.08080	1.5
127.03920	1.6
127.52573	0.4
129.07008	0.5
131.08548	0.6
133.10162	1.0
135.08080	0.6
135.11664	3.8
136.12106	0.5
137.09584	0.6
145.10075	3.4
147.08096	0.7
149.09666	0.6
163.11186	5.1
164.11560	0.9
173.09612	0.7
181.12291	0.8
184.07320	0.9
185.04233	0.7
193.12375	0.6
194.82057	0.4
209.11691	1.0
211.13254	1.0
219.14258	0.5
227.12868	0.9
243.08376	2.7
249.11023	0.9
260.40771	0.5
267.15988	0.7
269.17606	0.9
283.15417	2.6
284.15820	0.5
285.17026	0.6
289.95645	0.5
438.25705	1.4
460.27792	0.5
463.27039	0.5
464.27237	1.2
467.18823	13.2
468.19153	0.7
477.28729	0.6
478.28967	1.4
495.29202	0.9
496.29773	3.5
522.50317	0.5
635.44672	0.5
693.30804	100.0
694.31207	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	693.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05516	1.4
57.03434	1.4
57.77643	0.4
61.02919	3.5
63.47514	0.4
65.03942	0.5
67.05498	4.4
69.03439	1.9
69.07069	1.1
71.04990	1.0
73.02921	2.9
79.05487	5.6
80.05815	0.4
81.03413	4.6
81.07048	6.4
82.07390	0.6
83.04995	2.2
83.08632	1.8
85.02901	5.3
87.04416	0.4
91.03955	1.4
91.05483	4.8
93.07047	4.7
95.04964	3.5
95.08598	2.1
95.36105	0.4
97.02890	3.8
97.06539	0.7
97.92854	0.4
98.23592	0.9
99.04479	0.6
101.02400	1.5
105.07017	3.4
107.05000	0.7
107.08590	2.1
109.02892	0.7
109.06590	0.5
109.10175	0.6
111.08120	0.6
117.07017	0.6
119.08542	2.9
121.10152	0.8
123.08069	0.6
126.01237	0.5
127.03936	0.9
129.07047	1.6
131.08594	1.4
133.10149	1.4
135.11670	0.8
145.10158	0.6
147.11674	2.3
149.09683	0.6
149.13327	0.6
156.21288	0.5
157.10152	0.6
163.11198	0.6
171.11662	1.4
175.11185	0.7
185.04289	0.6
193.12288	2.5
203.05301	0.6
211.13338	1.3
228.84142	0.5
243.08377	2.4
247.13063	1.1
251.12567	2.5
269.17599	0.7
270.17844	0.8
281.17551	0.5
285.17029	0.6
307.15256	1.2
377.26752	0.5
419.74002	0.4
424.52637	0.5
465.20966	7.6
466.21454	0.8
469.20416	9.2
470.21124	0.5
478.28906	1.2
496.30267	0.7
520.26642	0.4
531.29236	0.7
551.78436	0.5
693.34442	100.0
694.34845	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	693.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22252	0.4
53.03936	0.5
53.52330	0.4
55.05510	2.0
57.03432	1.7
61.02922	3.8
65.88345	0.4
67.05505	3.7
69.03413	2.5
69.07072	1.2
69.18199	2.0
71.05003	0.6
73.02915	3.0
79.05491	3.9
81.03413	4.4
81.07054	4.4
83.04987	1.2
83.08615	1.6
85.02901	4.7
91.03960	2.3
91.05470	4.1
93.07042	3.3
95.04977	2.6
95.08604	2.0
97.02884	3.1
97.06524	0.7
97.10178	0.6
99.04491	0.7
101.02377	1.6
105.07040	3.3
107.08622	1.5
109.02924	0.8
109.06534	1.1
109.10141	0.5
111.08064	0.7
114.12717	0.4
117.07050	0.7
119.08571	2.0
121.10152	0.5
123.08131	0.4
127.03935	1.5
129.07011	0.8
131.08574	1.0
133.10161	1.5
135.11708	0.6
138.05305	0.4
147.08072	0.6
147.11633	1.9
149.09618	0.5
157.10153	0.6
164.74742	0.4
171.11736	0.6
175.11166	1.3
193.12300	1.5
198.38313	0.4
203.05324	0.4
211.13292	0.7
233.04938	0.4
243.08411	2.6
247.13139	1.7
251.12746	0.4
269.17453	0.8
270.17871	0.9
281.17340	0.6
285.17010	0.5
301.16470	0.5
345.68024	0.4
403.55759	0.5
465.20938	3.9
469.20309	8.4
478.29163	0.5
496.30060	1.0
693.34485	100.0
694.34888	10.6
700.04272	0.5
714.12885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35250	0.9
62.29202	0.9
68.92670	0.9
71.43101	1.1
77.85764	0.9
111.77212	0.9
132.42845	1.0
167.24107	1.0
168.39415	0.9
222.12315	0.9
222.54500	1.1
272.49747	1.1
385.90002	1.0
544.85260	1.1
661.26031	1.6
693.34509	100.0
694.34967	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	693.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92369	2.5
57.03429	4.5
61.02931	7.7
67.05506	13.2
69.03417	3.2
73.02898	4.9
79.05481	2.7
81.03412	3.8
81.07059	6.8
85.02895	8.8
89.43428	2.2
91.03963	6.6
93.07020	2.3
95.08602	6.6
97.02895	8.9
101.02369	2.8
109.10151	6.7
111.68123	2.5
127.03923	3.2
148.71524	2.4
180.28880	2.4
186.85243	2.4
189.41031	2.1
243.08525	4.3
264.39795	2.1
413.17773	6.6
521.30945	9.1
693.41687	100.0
694.41876	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	693.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67578	1.7
60.23262	1.8
61.02919	4.6
67.05516	10.1
67.05811	2.0
69.03416	2.4
69.87139	5.6
81.07076	2.4
85.02885	4.5
91.03942	4.7
95.08617	2.4
97.02898	4.0
98.22677	2.4
109.10169	9.6
159.73354	2.0
160.08574	1.8
413.17856	13.9
494.72223	2.0
521.30817	3.8
618.28442	2.1
693.41760	100.0
694.42340	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	694.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79272	0.2
53.03934	0.6
55.01862	0.6
55.05507	2.5
56.05023	0.7
56.67324	0.2
57.03433	2.3
58.06572	1.2
59.07370	0.9
60.07872	0.3
60.08159	5.7
61.02913	0.7
67.05167	0.3
67.05502	5.0
69.03414	1.5
69.07063	1.4
69.19392	1.3
70.78577	0.2
71.04967	0.9
71.07365	2.8
73.02907	0.3
79.05486	6.3
81.03412	8.2
81.07050	4.5
82.79026	0.2
83.04977	3.2
83.08615	3.2
85.02905	3.9
85.06510	0.4
86.05999	0.2
86.09700	26.5
87.04456	0.7
87.10032	0.3
91.03930	0.2
91.05473	6.1
93.07039	5.8
95.04964	4.3
95.08598	2.4
97.02867	1.0
97.06506	0.9
97.10155	0.6
98.98469	2.3
99.04461	0.3
99.08047	0.3
101.02343	0.3
104.10734	2.2
105.04510	0.2
105.07018	3.4
107.04943	1.0
107.08580	3.2
109.02928	0.3
109.06492	0.9
109.10141	0.9
111.08085	1.6
113.06034	0.3
115.05477	0.3
117.07014	0.6
119.08573	2.7
121.06521	0.4
121.10134	7.8
122.10471	0.3
123.08054	1.0
123.11699	0.4
124.99995	18.0
125.09613	0.4
129.06999	1.5
131.08549	4.9
133.06476	0.8
133.10149	1.5
135.11639	0.4
137.09612	0.5
139.11137	0.6
142.07776	0.2
143.01042	0.2
145.10098	0.3
147.08011	0.4
147.11696	1.7
149.09618	3.2
151.11172	0.4
157.10092	2.0
159.08043	0.6
161.09665	0.2
163.11121	0.5
167.10675	2.7
175.11159	2.0
177.09116	0.7
182.15320	0.2
184.07327	100.0
185.07687	1.1
185.11723	0.8
193.12219	6.2
194.12589	0.3
195.10139	0.8
211.13268	8.8
212.13501	0.4
222.08916	1.0
229.14322	0.4
241.14270	0.4
251.12791	0.6
253.14436	0.4
267.15863	3.5
268.16397	0.4
269.13733	1.1
285.16913	7.5
286.17191	0.6
287.14859	8.3
451.26895	0.4
453.28534	0.3
461.25986	0.3
468.23682	0.2
479.25925	1.9
496.29831	0.3
497.27350	11.3
498.27502	0.7
515.28735	0.5
694.35492	6.3
695.32654	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01867	1.1
55.05506	10.6
57.03436	5.3
57.07064	4.5
59.04990	0.9
61.02921	25.8
65.03924	2.4
67.05500	59.8
68.05830	0.9
69.03421	3.4
69.07072	8.0
71.04978	3.0
71.08627	1.0
73.02908	9.1
75.04475	1.8
77.03898	1.1
77.27716	0.9
79.05486	39.8
80.05757	0.8
81.03402	1.5
81.07050	66.3
83.04972	2.0
83.08595	6.0
85.02895	33.0
85.03412	1.7
85.06546	2.1
91.03951	24.2
91.05469	22.8
93.07037	51.3
94.07337	1.0
95.04967	5.0
95.08598	47.8
97.02885	15.2
97.06520	2.3
97.10159	3.3
97.62133	0.8
99.04440	2.0
99.08096	2.0
105.04527	1.4
105.07017	14.6
107.08583	34.9
108.08918	1.0
109.02770	0.9
109.06522	1.1
109.10143	29.3
111.08074	2.2
113.09611	1.1
115.03937	1.3
115.95486	0.8
117.07005	7.9
119.07764	0.9
119.08578	13.3
119.15018	0.8
121.10132	35.6
123.08068	2.0
123.11689	15.4
125.09624	1.5
127.03908	10.5
131.07555	1.1
131.08543	19.2
133.10101	12.7
134.00337	0.8
135.08064	0.9
135.11684	25.7
137.09615	1.7
137.13260	4.9
139.11145	1.9
145.04950	13.2
145.10104	13.6
147.11673	11.4
149.13245	20.8
151.11148	2.5
151.14795	2.5
153.12769	1.6
159.11676	13.0
161.13246	10.1
163.06009	21.3
163.11166	1.4
163.14790	14.6
164.15344	1.0
165.12704	2.3
165.18469	0.8
165.20102	0.9
173.13232	13.4
175.14818	3.6
177.12840	1.3
177.16386	6.6
179.14311	1.7
187.14775	9.6
191.14345	2.1
201.16376	3.1
215.17934	1.1
219.17404	0.9
233.22598	3.5
242.09125	1.0
243.21071	34.3
244.21307	1.0
261.22113	100.0
262.22519	4.1
263.23627	1.5
279.23126	2.4
335.25787	17.9
353.26816	51.7
354.27002	2.1
450.49905	0.9
486.64340	0.9
694.32312	6.8
695.33130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
53.99249	0.8
55.05503	12.8
57.03430	8.1
57.07080	4.5
61.02919	26.2
65.03941	2.9
67.05495	80.6
69.03412	4.6
69.07056	15.3
71.05005	2.9
71.08642	1.0
73.02911	9.2
75.04488	1.5
77.03931	0.9
79.05483	43.3
80.05871	1.0
81.03413	1.5
81.07049	90.5
82.07418	1.0
83.04997	2.2
83.08598	10.5
85.02890	35.9
85.06537	2.8
91.03944	26.5
91.04482	1.5
91.05470	22.5
93.07032	52.4
94.07425	1.2
95.04964	5.3
95.08595	71.0
97.02885	15.3
97.06539	3.7
97.10175	3.2
99.04457	1.9
99.08117	3.2
103.03944	1.1
105.04513	1.5
105.07017	17.5
107.08580	39.0
109.06526	2.0
109.10143	35.1
109.10882	1.7
111.08099	2.2
113.09661	1.3
115.03908	1.6
117.07012	9.7
119.08566	16.1
121.10131	35.1
123.08070	1.8
123.11696	20.7
125.09678	1.6
127.03908	9.6
129.05391	0.8
129.07132	0.9
131.08545	20.7
131.09436	1.3
132.09013	0.9
133.10120	16.2
135.11678	32.1
137.09653	1.8
137.13239	8.6
139.11188	2.1
145.04942	12.1
145.10100	18.3
147.11670	11.9
149.13242	20.1
151.11166	2.0
151.14841	3.0
153.12723	1.3
159.11670	15.5
161.13232	12.1
163.06000	19.7
163.11174	1.0
163.14789	16.4
165.12796	2.7
173.13248	14.7
175.14775	4.2
177.12740	1.9
177.16374	5.4
179.14246	3.9
187.14781	8.4
189.16379	1.0
191.14290	1.8
192.60696	0.7
201.16371	3.7
205.15918	2.6
215.17995	2.0
219.17386	1.4
227.14093	0.8
233.22691	3.2
243.21053	38.8
244.21361	1.6
255.19350	1.0
261.22098	100.0
262.22504	3.2
263.23853	2.0
279.23138	6.4
317.24857	1.9
334.40732	0.9
335.25775	36.3
336.25888	1.0
353.26813	54.6
354.27393	1.8
408.88071	1.0
497.31165	5.6
579.24573	0.9
629.81848	0.9
681.62897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96557	1.5
53.03944	2.5
53.94245	1.9
55.01875	2.2
55.05504	17.2
57.03431	14.3
59.05006	2.3
61.02926	2.9
65.03916	2.6
67.05498	80.6
69.03407	4.3
69.07069	7.9
70.70498	1.9
71.04989	20.4
77.03941	1.8
77.38397	1.8
79.05484	28.9
81.03407	43.0
81.07052	29.9
83.04972	12.3
83.08607	13.2
84.08984	1.7
84.78639	2.1
85.02895	21.5
85.06557	4.0
86.09707	9.0
91.05471	39.2
93.07040	27.1
95.04955	22.3
95.08601	14.8
97.02901	5.6
97.06538	4.9
97.10148	3.0
105.07007	15.8
107.04961	7.1
107.08570	11.9
109.06532	5.2
109.10150	49.9
111.04483	2.4
111.08050	10.3
113.17358	1.8
117.07009	3.1
119.08569	21.7
121.06492	1.7
121.10141	8.7
121.27177	1.8
123.08050	3.1
123.11663	2.0
124.99977	5.9
125.09637	2.3
129.06976	9.9
131.08539	8.1
133.10107	11.4
135.08029	2.7
135.11667	12.3
137.09608	9.6
142.07788	3.9
145.10094	4.5
147.08046	2.0
147.11697	9.2
149.09619	4.2
155.10689	5.3
157.10109	11.9
158.13321	1.7
163.11157	6.3
173.11746	6.9
175.11169	12.4
181.12274	2.2
184.07318	26.3
187.13435	2.1
193.12225	33.0
211.13271	40.6
212.13580	1.9
229.14339	3.8
243.15901	2.4
248.52795	2.2
255.15834	11.9
267.15851	21.8
269.17456	3.8
273.63345	1.9
285.16898	28.7
286.17169	2.6
287.18433	20.8
300.80847	2.0
403.24820	2.1
421.25726	31.5
429.26492	1.9
439.26880	100.0
440.27316	4.5
447.27408	38.8
448.27344	2.2
453.28534	10.7
461.29022	7.8
465.28461	64.6
466.28622	4.7
467.18756	4.6
469.20276	4.3
475.00510	1.9
479.29840	7.7
497.31033	64.3
498.31378	3.9
500.06519	1.8
641.35345	2.3
644.35291	3.4
694.30261	4.1
695.21191	2.9
695.32428	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01870	2.2
55.05506	10.6
57.03433	15.0
61.02923	2.9
65.03918	0.9
67.05499	34.4
69.03423	4.7
69.07056	8.5
70.92012	1.1
71.01352	2.0
71.04984	4.4
72.68992	0.9
73.02905	2.6
77.08741	0.7
79.05486	31.5
81.03411	52.9
81.07046	17.0
83.04968	8.4
83.08610	10.1
85.02899	4.1
85.06548	1.8
91.03948	1.2
91.05467	17.7
93.07034	35.2
95.04953	17.8
95.08593	5.0
97.02887	4.5
97.06516	7.4
97.10162	8.4
99.08073	2.1
99.46100	1.1
105.04468	1.7
105.07016	9.5
107.04936	5.8
107.08580	22.2
107.09259	1.7
109.06512	2.7
109.10184	5.7
111.04464	1.8
111.08096	5.1
117.07011	4.1
119.04897	0.9
119.08569	11.9
121.06500	2.9
121.10102	7.1
125.09615	1.3
129.07004	5.7
131.08562	4.5
133.06487	2.4
133.10100	6.4
135.08102	1.6
135.10619	2.0
135.11674	37.3
137.09636	2.6
142.07819	1.7
145.10133	7.4
147.08060	2.5
147.11685	4.7
149.09599	3.3
153.12711	1.8
157.10114	6.2
163.11157	7.6
165.12747	1.1
175.11176	7.0
181.12215	7.1
184.07341	2.7
193.12228	14.3
210.04411	0.9
210.30374	0.9
211.13327	1.4
249.14795	1.6
251.12648	1.1
255.15883	73.3
256.16296	3.0
267.15881	44.8
268.16342	1.1
403.24915	2.0
421.25842	8.2
429.26151	1.2
439.27029	1.1
447.27362	100.0
448.27774	5.6
465.28134	5.3
467.18805	3.6
469.20370	3.4
478.18378	0.9
479.30005	1.5
489.28571	1.4
497.30655	1.3
694.31158	5.4
695.32318	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01865	10.8
55.05511	37.9
57.03428	12.0
57.07065	4.0
57.24625	1.6
59.43793	2.1
65.03928	4.7
65.18286	1.7
67.05501	95.1
68.05853	1.9
69.03425	3.0
69.07059	45.2
71.04990	9.2
71.08635	2.1
71.42442	2.0
79.05486	85.4
79.05950	4.1
81.03415	11.7
81.07048	100.0
83.04978	15.6
83.08611	20.9
84.29717	2.0
85.06530	6.9
86.09682	8.3
86.30029	1.6
87.42284	1.6
88.71819	1.6
91.05467	68.9
93.07034	82.0
95.04947	22.6
95.08594	49.5
97.06522	18.8
97.10159	8.8
99.08098	2.9
99.43648	1.7
103.05463	3.1
103.22708	1.7
104.20373	1.7
105.04514	3.6
105.07021	59.6
105.07735	2.9
107.04964	11.1
107.08582	49.8
109.06517	11.3
109.10168	17.0
111.08070	6.5
113.09631	2.8
115.05482	2.2
117.07019	24.1
119.08573	37.3
121.06478	5.5
121.10126	24.6
123.08052	5.7
123.11680	5.2
124.99966	5.6
125.09623	7.7
128.06197	3.7
129.06970	10.9
131.08562	29.5
133.06479	2.1
133.10117	37.6
134.10498	1.8
135.08018	6.0
135.10762	2.6
135.11687	24.0
137.09590	4.9
141.06950	2.4
143.08530	7.6
145.10104	25.3
146.10794	2.1
147.08092	4.0
147.11668	19.1
149.09584	18.2
149.13229	14.9
151.11212	4.1
155.08556	5.3
157.10120	9.9
159.11656	23.9
161.09628	3.1
161.13254	7.6
163.11147	11.8
165.12717	4.8
167.08527	2.5
169.10139	6.4
171.08115	2.1
171.11690	7.4
173.09647	2.1
173.13210	9.3
175.11076	2.1
177.12721	8.3
179.14287	7.2
181.10071	1.9
181.12309	2.5
183.11703	6.7
184.07335	28.4
185.07745	2.1
185.09470	1.7
185.13232	4.9
187.11235	2.3
194.12657	1.9
195.11967	2.7
195.13780	9.9
197.13219	3.8
222.38763	1.8
227.12769	7.7
229.19485	4.0
239.17827	5.8
247.20657	2.1
251.16216	2.0
255.15833	14.1
257.18985	14.9
267.15826	4.7
269.17444	24.5
275.20016	45.5
293.21170	1.8
331.22571	2.7
343.25342	1.8
349.23697	31.4
350.24066	3.4
353.24164	1.9
367.24884	3.0
431.28403	1.9
433.30878	2.8
435.27414	3.8
449.28992	20.2
463.30579	19.2
463.36765	3.1
503.32205	2.1
529.35162	5.8
543.36871	19.0
544.37500	2.4
561.37549	4.2
623.43597	2.6
641.43878	3.0
658.13690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01863	8.9
55.05512	28.5
57.03436	14.7
57.07079	4.8
60.08153	2.5
65.03925	4.1
67.05502	81.5
69.07063	40.1
71.04993	6.3
73.03651	2.2
79.05040	4.4
79.05489	66.3
79.38110	2.1
81.03410	6.4
81.07053	100.0
83.04984	16.2
83.08617	16.9
85.06538	5.9
86.09702	13.5
91.05472	65.5
93.07046	76.2
94.31968	2.4
95.04971	20.3
95.08598	45.9
97.06510	22.6
97.10157	7.9
98.23498	6.0
98.65765	2.4
99.08096	6.6
102.84830	2.1
103.05449	2.6
105.04504	3.6
105.07031	48.0
107.04939	10.2
107.08586	40.3
109.06502	10.2
109.10144	19.6
111.08057	5.5
113.05894	2.7
113.09598	2.6
115.05453	3.2
117.07016	24.5
119.08578	38.9
120.08984	2.8
121.06480	6.9
121.10117	22.8
123.08054	6.0
123.11693	3.7
124.99977	8.2
125.09624	7.2
129.06999	9.8
131.08556	31.9
133.10104	35.9
135.08066	10.7
135.11687	22.2
137.09612	3.7
139.71281	2.5
141.06961	4.0
143.08533	7.9
144.09355	2.8
145.06479	2.4
145.10115	25.3
147.07999	3.7
147.11690	17.9
149.09647	18.4
149.13234	16.6
151.11237	3.7
155.08582	5.8
157.10141	9.3
159.11685	25.9
161.13303	7.2
163.11185	14.8
165.09026	2.5
165.12685	3.2
169.10060	2.9
171.11668	6.8
173.13255	9.8
177.12688	6.6
179.14287	5.8
181.12210	4.0
183.11758	4.3
184.07323	50.9
185.13272	3.2
187.11292	2.8
193.12224	2.8
195.13728	11.7
197.13312	4.0
199.14880	2.3
209.18996	2.2
227.12730	5.4
229.19380	2.5
239.17979	5.7
241.19595	2.8
247.20578	5.1
255.15787	20.1
257.18900	12.3
267.15768	4.0
269.17465	41.6
275.20053	49.5
293.21072	5.9
305.00635	2.6
331.22693	3.1
349.19815	4.1
349.23703	35.3
367.20340	2.5
367.24771	10.7
435.27371	4.6
449.29019	28.7
451.31937	3.0
463.30487	30.3
529.34900	5.7
543.36749	20.1
561.37518	4.3
694.47522	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	695.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.0
57.03424	1.2
61.02907	1.6
61.50463	0.8
67.05473	3.3
69.07048	0.9
71.04980	1.3
73.02912	1.4
79.05466	2.5
81.03403	2.1
81.07037	3.2
83.08606	0.9
91.05449	2.1
93.07030	2.0
95.04942	1.4
97.02861	1.9
97.06532	1.0
98.22714	2.2
105.07010	1.5
107.04880	0.9
107.08598	1.2
109.10130	1.0
117.07028	1.3
119.08556	2.3
121.10119	1.3
127.03843	1.0
131.08539	1.6
133.10136	1.5
135.11658	1.2
145.10045	1.3
147.11720	1.0
210.68121	1.0
243.08322	1.0
278.68365	0.9
445.93912	0.9
471.21118	1.1
652.67950	0.9
694.33893	1.9
695.30072	100.0
696.30438	8.3
721.62201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01881	0.7
55.05498	0.9
57.03428	1.3
61.02925	3.7
67.05511	2.5
69.03421	2.3
69.07068	0.6
73.02910	2.6
76.51492	0.3
79.05492	2.3
81.03419	3.6
81.07051	2.5
83.04983	1.0
83.08628	1.3
85.02901	5.1
91.03941	2.2
91.05471	3.3
93.07036	3.2
95.04965	1.9
95.08607	2.4
97.02888	3.3
99.04462	1.1
101.02386	1.3
105.07035	2.2
107.04942	1.0
107.08607	1.6
109.02853	0.5
111.08070	0.7
117.06967	0.5
119.08569	1.4
121.10159	1.1
123.33313	0.3
127.03944	0.9
129.07004	0.6
131.08600	0.7
133.10124	1.0
135.11696	2.1
145.10080	1.8
147.11656	0.7
157.10112	0.8
163.11140	3.9
175.11160	0.8
181.12250	0.8
185.04237	0.8
193.12318	1.5
211.13347	0.6
219.09953	0.7
227.12766	2.6
243.08304	2.0
249.10942	7.9
251.12610	0.9
305.13696	1.3
307.15085	0.5
467.18829	8.4
469.20416	9.0
470.20813	0.6
533.27124	0.7
695.32379	100.0
696.32715	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	695.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01873	0.7
55.05506	1.3
57.03432	2.2
59.05003	0.4
61.02923	4.2
65.03963	0.4
67.05495	2.5
69.03425	2.9
69.07074	0.5
71.04987	0.8
73.02916	2.7
79.05497	2.6
81.03421	4.4
81.07035	2.5
83.01347	0.4
83.04984	1.2
83.08617	1.2
85.02904	5.3
91.03963	2.0
91.05474	2.2
93.07032	2.9
94.07377	0.5
95.04974	1.7
95.08630	1.0
97.02887	4.4
98.22607	0.8
99.04429	0.5
101.02399	1.6
105.07020	1.6
107.04953	0.9
107.08556	0.8
109.02874	0.9
109.10141	0.5
111.08134	0.6
115.03942	0.4
117.07011	0.5
119.08566	2.1
121.10126	1.7
123.08066	1.0
123.44853	0.3
127.03928	1.2
129.07005	0.6
131.08563	1.4
133.10175	0.9
135.11751	0.9
145.10150	1.6
147.11716	0.9
149.09642	0.9
157.10185	0.5
163.11139	1.9
175.11197	0.8
185.04288	0.4
193.12318	1.0
193.16667	0.4
209.11769	0.6
211.13229	0.6
227.12779	0.4
243.08412	2.0
249.11128	0.7
251.12598	0.8
267.15848	0.6
267.70297	0.4
283.15680	0.8
307.15057	0.5
461.29117	0.6
462.29425	0.6
467.18814	6.2
467.24744	0.6
469.20383	7.0
536.47748	0.4
670.60797	0.4
695.32397	100.0
696.32599	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	695.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01862	0.6
55.05512	1.6
55.85273	0.4
57.03432	2.1
61.02923	3.9
67.05501	6.7
69.03428	2.5
69.07059	1.7
69.39294	0.5
69.46790	2.2
71.01334	0.6
71.04991	3.9
73.02915	2.8
79.05485	5.2
81.03407	3.5
81.07041	3.9
83.04993	1.0
83.08600	1.0
85.02902	4.5
85.06490	0.6
91.03957	2.6
91.05475	5.2
93.07039	4.6
95.04976	2.0
95.08605	1.8
97.02884	4.0
97.06525	1.3
99.04446	0.7
101.02370	1.3
103.03928	0.5
105.07018	3.8
107.04976	1.2
107.07995	0.5
107.08576	2.8
109.02879	1.1
109.06512	0.6
109.10152	4.5
111.08155	0.7
117.07018	1.4
119.08566	3.3
121.10181	1.0
127.03948	1.4
128.06151	0.5
129.07024	1.8
131.08604	1.5
133.10152	1.3
134.62497	0.6
135.11732	2.0
137.09662	2.2
137.33269	0.5
145.10152	1.1
147.11714	1.2
151.07782	0.7
155.08594	0.8
161.13226	0.7
163.11151	0.9
171.11699	0.8
173.11935	1.0
173.13274	0.6
174.43208	0.5
177.52403	0.5
189.13052	0.6
229.14311	0.7
233.15475	1.0
243.08372	2.4
243.15881	0.9
247.13039	1.1
253.14120	0.9
266.69321	0.5
307.18991	0.6
439.19156	0.7
461.28918	0.8
465.20963	6.1
471.21994	8.0
695.36121	100.0
696.36493	8.3
716.35571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
53.93790	0.6
55.01862	1.1
55.05507	3.0
57.03413	0.8
67.05492	5.6
69.03426	3.3
69.07059	9.7
69.47149	1.1
69.47545	2.2
71.05009	1.4
79.05495	3.0
81.03412	1.9
81.07039	7.3
83.08601	1.2
85.02891	6.4
87.00820	1.1
89.57763	0.6
91.05473	4.4
92.47937	0.6
93.07033	5.4
95.04971	0.9
95.08592	5.0
97.02882	1.9
98.23499	0.7
99.04436	0.8
105.01865	3.5
105.07021	6.8
107.08577	4.9
109.02858	1.7
109.06528	1.7
109.10142	11.9
111.08057	1.0
111.11701	1.8
117.06995	1.4
119.08556	5.1
121.06487	1.7
121.10135	1.8
123.11676	1.8
125.49343	0.6
127.03925	4.1
127.11173	2.2
128.06229	1.4
129.01959	0.7
129.07005	2.2
131.08542	5.4
133.10100	4.1
135.08038	1.0
137.05977	1.9
141.06912	0.6
142.07744	1.3
143.08530	6.3
145.04956	2.5
145.06461	0.9
145.10097	7.1
147.08038	2.7
147.11664	3.4
148.12015	0.7
149.09628	0.8
149.13190	1.3
153.01830	3.1
155.08562	2.0
157.10092	5.7
159.02890	1.0
159.08032	2.1
159.11664	3.4
161.09663	1.8
161.13211	1.3
163.14839	0.7
165.06993	0.9
167.08525	1.6
169.10065	3.4
171.08020	1.9
171.11665	4.3
173.09612	5.0
173.13237	3.2
175.11168	1.8
175.14804	1.1
179.08560	1.4
180.09326	1.0
181.10135	2.5
182.10831	0.7
183.11670	2.5
184.12401	1.1
185.09660	2.3
185.13219	4.5
187.11185	1.9
187.14909	0.8
189.09094	1.9
191.10672	0.9
195.08052	0.8
195.11720	3.1
197.09605	2.1
197.13242	3.2
199.11206	4.3
199.14702	2.8
201.12762	1.0
201.16428	1.3
205.10103	0.8
206.10956	1.0
207.11758	1.2
209.09540	1.9
209.13271	2.8
210.10387	0.9
211.11203	1.7
211.14804	2.1
213.12694	2.0
213.16362	1.1
217.10205	0.8
219.11708	0.9
221.09592	0.8
221.13182	1.5
223.11198	3.0
223.14801	1.4
224.11995	0.7
225.12711	3.9
225.16173	1.0
227.14279	2.7
231.05112	1.4
231.14070	0.7
233.13196	0.9
235.11029	1.3
235.14886	1.4
236.11949	1.1
237.12773	1.1
237.16342	3.4
239.14291	3.2
245.15428	0.8
249.06085	0.7
250.13489	2.9
253.15738	0.9
255.17667	1.0
255.21123	1.9
257.15369	1.1
265.15866	4.7
267.17331	0.9
279.15790	1.3
283.16901	15.3
283.20178	0.7
284.17572	1.4
285.14838	0.8
285.18515	1.2
287.16318	1.6
291.21194	0.8
293.18994	1.5
297.18414	0.8
301.17941	75.7
302.18503	8.7
303.19537	2.3
309.18259	0.9
311.19980	2.3
312.66959	0.7
313.17996	1.6
315.19556	1.6
327.19376	2.0
328.20248	2.5
329.21094	2.4
337.21625	2.6
341.21021	2.3
342.21878	1.2
355.22638	8.5
357.25681	0.7
369.24097	0.7
375.26700	1.8
393.27878	5.9
411.28873	100.0
412.29297	6.8
429.29956	39.6
430.30322	3.8
447.31024	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	695.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01868	2.3
55.05510	6.4
56.05024	1.4
57.03429	4.8
58.06598	2.9
59.05025	1.3
61.02920	17.3
65.03928	1.9
67.05498	8.9
69.03420	9.2
69.07076	3.3
70.14978	2.1
70.15328	1.5
71.04993	2.4
73.02906	11.3
79.05489	9.8
80.05016	2.3
81.03406	9.8
81.07043	8.9
82.06591	2.7
83.05004	2.2
83.08627	4.0
85.02897	16.8
85.06528	1.4
86.09711	2.7
91.03948	8.8
91.05473	8.1
93.07040	8.0
94.06562	8.0
95.04980	3.6
95.08589	5.3
96.08125	1.0
97.02881	12.3
97.06532	1.6
97.10163	3.4
99.04462	2.3
101.02398	2.7
103.05457	1.8
105.07016	5.1
106.06579	2.6
107.04984	2.1
107.07365	1.7
107.08572	7.5
108.08128	5.2
109.02895	1.8
109.06545	1.2
109.10150	8.8
111.08128	1.8
115.03963	1.1
117.07033	1.5
118.06580	3.4
119.07236	1.1
119.08606	4.4
120.08089	13.2
121.06523	1.3
121.08874	1.1
121.10130	2.6
122.06048	1.7
122.09644	12.7
123.08083	1.6
125.00011	3.0
125.09613	2.4
127.03950	3.7
129.07024	2.4
130.06529	3.2
131.07437	1.0
131.08583	3.5
132.08072	8.4
133.02861	2.0
133.08905	1.0
133.10185	2.9
134.09659	7.5
135.08034	1.0
135.11682	1.5
137.06035	1.1
137.09686	1.2
143.07428	1.2
143.08594	1.9
144.08075	24.7
144.09125	1.7
145.04898	1.0
145.08958	2.2
145.10091	2.6
146.09630	5.8
147.11736	1.6
148.11278	2.0
149.09663	1.4
150.09171	1.5
153.01906	1.7
155.08569	1.8
156.08147	2.2
157.10094	1.3
158.09720	4.7
159.10487	1.5
160.11307	2.8
167.07098	1.5
170.09621	5.3
171.10464	1.6
171.11832	1.3
172.11247	2.3
173.13374	1.4
174.09167	1.5
176.10760	1.7
182.15495	1.2
184.07336	14.3
184.11295	3.0
185.07729	2.1
185.11894	1.3
196.11191	1.3
199.13457	2.1
206.13272	1.2
206.15419	2.3
210.12845	1.0
224.16510	2.1
226.16034	1.4
228.17468	1.8
229.14362	1.3
230.15506	2.0
232.17105	3.5
233.15323	1.5
238.15990	2.2
243.07845	2.0
244.16898	6.5
246.18669	2.6
249.19638	4.9
250.17992	2.0
256.16953	11.0
258.18604	1.1
260.16440	1.3
261.08667	2.6
262.18112	3.2
266.61804	1.1
267.15964	1.8
268.16873	1.1
270.18622	2.6
272.16528	1.4
274.18173	3.0
282.18713	1.1
286.18124	3.4
287.06662	9.2
288.19815	1.4
300.19705	2.1
311.06598	6.0
312.19730	1.2
325.10815	1.4
339.06158	1.6
352.26480	1.4
357.07410	3.3
370.27396	1.7
380.25876	5.0
393.28101	1.8
398.26675	6.5
406.17957	1.5
406.27530	1.8
411.29266	4.1
416.28146	4.5
423.29962	6.1
424.15109	8.3
429.30057	7.0
432.15454	2.5
441.31177	1.4
442.30042	1.2
460.30804	4.4
472.30545	29.7
473.31128	3.2
478.16302	2.4
490.31555	19.1
491.32047	1.3
494.15485	6.6
498.32159	7.3
510.22559	1.5
510.90375	1.2
515.34723	20.6
516.33356	5.7
533.35840	34.7
534.36438	2.6
540.20319	1.9
545.36816	1.1
557.35767	2.2
575.37427	1.2
615.25201	3.0
622.36298	1.3
623.37000	1.5
634.36072	6.9
641.37683	1.5
652.37048	4.0
659.38666	2.6
660.37360	7.8
664.25067	2.0
677.28510	1.8
677.39966	49.1
678.39661	7.2
695.41357	100.0
696.31329	1.3
696.41931	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	695.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01870	2.1
55.05508	5.9
56.05045	1.0
57.03440	5.2
58.06599	1.8
61.02918	16.0
62.67938	0.9
66.46657	1.0
67.05504	10.1
69.03419	8.5
69.07067	3.8
69.34391	2.6
69.34796	2.4
71.01357	1.5
71.05003	1.7
73.02911	10.0
79.05491	9.0
80.05022	3.7
81.03416	11.6
81.07042	7.3
82.06592	3.5
83.04958	1.8
83.08633	3.3
85.02913	14.4
85.06569	1.2
86.09708	4.8
87.10023	1.3
91.03944	6.6
91.05473	6.0
93.07025	4.5
94.06555	8.0
94.45018	1.0
95.04990	3.6
95.08628	4.1
97.02884	10.7
97.03401	1.0
97.06544	1.3
97.10184	2.6
98.22679	2.0
99.04491	1.4
101.02397	1.6
105.07021	5.3
106.06581	2.5
107.07359	1.0
107.08581	4.9
108.08137	4.4
109.02901	1.5
109.06519	2.7
109.10143	6.1
111.08109	1.7
117.07043	1.5
118.06535	2.0
119.08612	4.3
120.08103	12.1
121.06478	1.4
121.10215	2.8
122.06129	1.1
122.09644	5.2
123.08088	2.4
125.00033	3.6
125.09642	2.0
127.03961	3.2
129.07019	1.8
130.06580	3.1
131.07445	1.1
131.08585	2.7
132.08104	6.9
133.09019	1.5
133.10156	3.5
134.09642	8.5
135.08124	1.3
135.09125	1.5
135.11705	1.4
136.07622	1.3
136.11206	1.0
141.12866	0.9
143.08569	2.3
144.08072	22.8
145.08925	1.8
145.10184	3.0
146.09630	4.6
147.08043	1.7
147.11684	1.5
149.09630	2.6
150.09143	1.7
153.01854	2.9
155.08646	1.3
156.08118	2.3
157.10190	2.8
158.09660	5.6
160.11230	2.5
161.09583	1.1
162.09193	1.3
170.09639	4.7
171.11647	1.5
172.11264	2.4
173.09659	1.0
173.11926	1.7
173.13380	1.2
174.12830	1.1
175.11237	1.8
182.09732	1.1
184.07330	19.7
184.11304	2.7
185.07806	3.1
189.11339	1.0
192.13936	1.2
193.12177	1.9
202.08826	1.0
206.15495	4.4
211.11571	1.1
218.15427	1.5
226.15880	1.2
229.14465	1.0
230.15482	2.3
231.13710	0.9
232.17155	3.2
235.14664	1.0
236.16441	1.1
238.15982	2.2
242.15538	2.4
244.16931	5.5
246.18626	2.8
249.19608	6.2
250.18106	2.0
254.15457	1.4
256.16940	8.8
262.18076	2.1
264.45422	1.0
267.15717	1.7
268.17035	1.4
270.18646	2.5
272.16403	1.9
274.15192	0.9
274.18161	4.1
282.18683	2.0
285.18622	2.8
286.17972	2.1
287.06656	1.3
288.19638	2.8
294.18936	1.1
298.74088	1.0
299.21307	1.1
300.19550	1.4
301.17889	1.3
308.20535	1.1
311.06445	1.1
312.19864	2.0
313.21942	1.1
318.20743	1.2
355.22882	1.1
366.24536	1.3
373.23642	1.2
380.25967	3.5
384.25629	1.1
398.26828	7.0
405.29150	2.3
411.28992	3.2
414.27460	1.1
416.27814	5.9
423.29990	5.4
424.15460	1.6
424.28519	1.7
429.29977	10.8
430.30508	1.3
441.31491	2.1
454.23685	1.2
454.29633	2.1
460.30951	3.4
467.18976	1.6
472.30478	26.1
473.31039	2.6
478.32300	1.5
490.31509	18.5
497.33258	1.1
498.32150	5.9
501.95297	1.1
515.34784	20.5
516.33301	5.1
533.35822	36.3
534.36377	2.7
575.36877	1.7
622.36377	1.4
631.28223	1.2
634.35565	5.2
641.37781	1.4
652.36554	6.5
659.39404	2.8
660.37311	7.0
677.39990	42.7
678.39575	7.1
695.41266	100.0
696.41656	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	696.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05508	15.5
57.03432	6.6
57.07067	9.6
61.02920	29.7
65.03947	1.7
66.14434	1.1
67.05498	72.2
69.03408	3.4
69.06709	1.5
69.07063	21.2
71.04990	2.3
71.08620	4.4
73.02908	9.1
79.05482	22.1
81.03413	1.5
81.07046	82.2
83.04951	2.0
83.08603	21.2
85.02399	2.3
85.02895	33.0
85.06544	2.3
85.10167	2.8
91.03949	26.0
91.05463	12.8
93.07038	21.5
95.04974	2.3
95.08594	71.6
97.02877	15.3
97.06511	6.8
97.10155	9.2
98.23219	7.4
99.04480	1.6
99.08078	4.0
105.07028	9.7
107.08585	13.7
109.10139	35.8
111.08049	2.7
111.11696	4.5
113.09669	2.9
115.03935	1.8
119.08571	11.7
119.96329	1.0
121.10125	19.1
123.11683	17.2
125.09566	1.3
127.03907	11.6
133.10124	15.9
135.11688	11.1
137.13243	7.7
139.11147	2.2
139.83041	1.1
141.12706	2.9
145.04959	12.6
147.11667	10.5
149.13229	9.7
151.14836	5.7
155.14291	2.6
161.13263	12.6
163.06004	23.9
163.14807	12.8
165.12737	1.6
165.16368	8.7
175.14760	9.8
177.16425	2.8
179.14268	2.0
179.17926	8.8
189.16353	5.5
193.15939	1.5
203.18010	1.5
217.19453	2.3
226.20651	1.0
245.22620	67.3
246.22952	1.6
247.24033	1.6
263.23676	100.0
264.24017	4.8
265.25146	3.4
281.24716	2.9
285.72263	1.2
322.42224	1.2
337.27338	46.3
338.27634	2.3
355.28317	9.8
536.37299	1.3
537.29443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.05503	20.0
57.03429	6.4
57.07063	10.6
61.02627	2.5
61.02915	24.8
65.03928	1.6
67.05496	78.2
69.03412	4.8
69.07059	27.3
71.04970	5.1
71.08624	5.2
71.42242	1.4
73.02901	9.3
79.05483	21.9
81.03407	5.6
81.07046	91.9
83.04523	1.5
83.04956	3.5
83.08603	17.9
85.02895	27.1
85.06522	3.8
85.10187	3.8
91.03948	26.4
91.05461	18.8
93.07042	22.1
95.04951	3.1
95.08595	75.1
97.02880	15.8
97.06519	7.8
97.10168	13.3
99.08092	4.2
101.02396	1.6
103.27483	1.5
105.07007	11.3
107.08572	18.5
109.06538	1.9
109.10139	38.2
111.08057	4.4
111.11674	5.6
113.09634	2.7
119.08564	13.6
121.10136	23.0
123.11681	19.8
125.09607	1.9
127.03887	8.9
129.73343	1.5
131.08524	2.1
133.10115	19.2
135.11670	13.1
137.09517	2.1
137.13235	8.0
141.12709	2.7
144.93318	1.6
145.04936	13.6
147.11679	10.8
149.13226	12.7
151.14818	6.0
155.14291	3.6
161.13240	14.6
163.06000	21.2
163.14755	9.4
165.16389	9.8
175.14763	11.1
179.14384	2.1
179.17928	6.1
181.15770	2.3
189.16389	4.2
196.66507	1.8
203.18053	1.8
210.18523	2.8
245.22617	66.5
246.23012	2.0
263.23682	100.0
264.23987	3.6
271.86160	1.6
281.24887	1.7
337.27322	69.3
338.27753	3.9
355.15002	1.8
355.28290	14.0
406.91135	1.6
499.32263	4.6
696.36371	32.7
697.36163	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	696.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.4
55.05507	29.7
57.03437	11.6
57.07075	6.4
64.04310	2.4
67.05498	83.5
69.03447	2.7
69.06467	18.5
69.07053	37.0
71.04982	7.9
71.08627	10.4
73.58530	2.4
79.05486	66.3
81.03422	8.6
81.06560	5.1
81.07047	100.0
83.04974	15.0
83.08603	22.2
85.06510	4.6
91.05469	59.7
93.07036	81.5
95.04964	21.8
95.08600	41.2
97.06525	22.1
97.10176	10.3
98.22618	5.1
99.08092	11.6
105.07008	48.4
107.04958	7.6
107.08578	40.0
108.23450	2.8
109.06520	8.5
109.10122	13.9
109.24553	2.4
111.08064	10.4
115.11269	2.9
115.48406	2.7
117.07003	18.4
119.08569	32.9
121.06512	5.8
121.10107	25.0
123.08064	6.6
123.11699	7.7
125.09647	6.1
129.07001	7.6
131.08554	28.1
133.10120	31.5
135.08012	7.2
135.11652	21.9
137.09642	5.9
143.08537	9.8
145.10086	18.4
147.11656	15.6
149.09595	8.3
149.13239	24.1
151.11203	14.1
157.10110	7.5
159.11685	18.1
161.13281	8.9
163.11139	12.8
163.14780	3.1
165.12773	3.4
169.10130	5.6
171.11708	6.4
173.13252	4.6
177.12788	7.4
179.14302	4.0
183.11769	5.3
185.13165	3.9
187.14781	4.1
195.13783	10.9
210.89305	2.7
227.12697	4.1
239.18044	3.7
255.15897	8.8
257.19000	5.8
259.20569	5.0
267.15900	3.6
269.17419	41.1
275.20026	26.0
277.21655	16.2
349.23755	15.4
351.25150	17.3
367.24738	4.4
400.87888	2.7
449.29129	16.9
449.38687	2.7
463.30444	36.0
504.40546	3.0
525.36145	4.2
531.37073	4.5
542.62677	3.1
543.36725	13.2
545.38068	12.0
696.42267	3.6
697.42206	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	696.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01859	9.1
55.05508	34.4
57.03445	16.3
57.06645	2.2
57.07063	5.9
58.75105	2.3
65.03925	6.3
67.05502	94.1
69.07060	40.9
69.84245	6.2
69.84592	3.3
71.04999	7.9
71.08633	14.9
77.03892	3.4
79.05489	67.9
81.03418	7.8
81.07052	100.0
83.04972	15.3
83.08607	26.3
85.06541	7.5
86.09682	3.8
89.16914	2.5
91.05478	62.0
93.07040	76.4
95.04965	24.0
95.08598	43.1
97.06516	18.9
97.10162	8.9
99.08080	14.0
105.07024	45.3
107.04945	8.3
107.08588	45.6
109.06496	9.5
109.10158	20.7
111.08071	8.8
113.09659	4.7
117.07006	24.7
119.08573	35.5
121.06469	6.8
121.10136	29.7
123.08072	5.9
123.11710	8.5
125.09626	7.5
129.05666	2.7
129.07001	10.6
131.08569	27.4
133.10120	37.9
135.08047	3.7
135.11684	25.3
137.09602	6.3
139.11177	5.2
143.08569	8.3
145.10120	21.5
147.11659	17.8
149.09599	12.6
149.13234	25.9
151.11172	19.4
155.08499	5.1
157.10095	8.6
158.79898	2.8
159.08116	2.9
159.11674	22.4
161.13251	7.4
163.11119	15.9
165.12764	9.0
169.10095	3.9
171.11694	7.5
173.13277	9.7
175.11212	4.7
175.14722	3.3
177.12730	10.4
179.14308	8.4
181.10054	3.8
183.11644	5.6
185.13255	4.5
187.14842	4.0
193.12177	3.4
195.13812	11.4
197.13219	5.5
213.14709	2.8
227.12764	8.2
229.19476	5.2
231.20833	3.7
233.15448	3.3
251.16267	4.0
255.15906	10.2
257.18964	9.8
259.20551	11.5
267.15894	2.7
269.17474	49.5
275.20074	30.7
277.21616	21.9
295.22668	2.7
313.21802	3.3
349.23703	21.5
351.25211	19.8
367.24710	3.3
369.26129	2.8
410.99670	3.6
433.19272	2.9
449.28693	20.3
463.30573	34.2
474.92825	3.0
525.35773	3.2
527.36926	5.3
536.50232	2.9
543.36731	25.3
545.38251	20.9
561.37769	6.0
625.43829	3.3
696.41010	7.7
697.42596	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	697.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.4
55.05509	0.9
57.03425	0.7
61.02930	2.2
67.05495	2.5
69.03429	1.4
69.07051	0.6
69.31543	0.4
71.04989	0.5
73.02894	1.0
77.76276	0.4
79.05492	1.5
80.54616	0.4
81.03416	1.3
81.07041	2.2
82.56274	0.5
85.02904	2.1
91.03952	1.8
91.05470	1.3
93.07047	1.8
95.04955	0.7
95.08626	0.7
97.02884	1.2
97.06515	0.5
98.97540	0.5
101.02388	0.9
107.08605	1.2
109.10156	0.5
111.08150	0.5
116.17338	0.5
117.07008	0.5
119.08543	0.6
121.10106	0.8
127.03916	0.8
129.07037	0.4
131.00208	0.6
133.10136	0.7
135.11726	1.2
145.10121	0.6
145.53792	0.4
163.11098	0.6
193.12273	0.5
243.08571	1.3
267.09183	1.3
267.11914	0.5
269.10675	0.9
285.10074	1.1
287.11761	0.7
301.08978	0.7
327.65021	0.5
453.21005	3.6
467.19061	1.4
469.19385	1.0
471.22037	0.7
485.18002	1.5
487.18347	1.1
525.23407	0.8
580.55444	0.6
651.33276	1.2
653.31079	0.6
679.32928	2.7
697.32703	100.0
698.33014	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	697.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69049	0.5
55.05509	0.5
56.96556	0.5
57.03419	0.6
61.02917	2.4
64.06403	0.5
67.05499	3.2
69.03427	0.9
69.82090	0.5
69.94127	1.3
73.02916	1.2
74.11756	0.5
79.05505	1.6
81.03408	1.4
81.07050	1.9
83.71915	0.7
85.00588	0.5
85.02880	2.5
91.03954	1.6
91.05513	1.5
93.07050	2.0
94.60806	0.4
95.04988	0.8
95.08631	1.2
97.02890	1.8
98.22709	0.6
106.07662	0.5
107.08562	1.0
109.10143	0.8
111.08045	0.5
119.08605	1.0
133.10188	0.6
145.10138	0.5
157.10201	0.6
184.07350	0.7
243.08379	1.0
267.09109	1.3
285.10229	1.2
451.19287	0.6
453.20938	2.9
467.18961	1.2
469.20123	0.8
485.17477	1.5
487.18591	0.8
543.43958	0.6
679.32733	1.4
697.32727	100.0
698.32660	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	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
53.38971	0.4
55.05497	1.6
56.98280	0.4
57.03439	2.1
61.02927	4.1
67.05484	1.9
69.03418	2.1
69.07059	1.0
70.93401	0.6
71.05004	0.9
73.02915	2.8
74.66021	0.4
75.40385	0.5
79.05486	2.1
81.03413	5.8
81.03850	0.7
81.07038	2.7
83.04980	1.3
83.08620	2.4
85.02904	6.7
87.04482	0.4
91.03936	2.5
91.05478	3.1
93.07038	1.6
95.04952	2.4
95.08620	0.9
97.02891	5.1
97.06532	0.8
99.04452	0.8
101.02393	1.5
105.07021	2.3
107.04962	0.8
107.08588	0.7
109.02840	0.6
109.06528	0.4
111.08088	0.8
113.06005	0.5
119.08577	1.6
119.61907	0.4
121.10159	1.1
123.08039	0.6
123.11732	0.4
127.03894	0.8
129.07028	1.1
131.08575	1.0
133.10158	1.5
147.07999	0.5
147.11705	1.5
149.09589	0.6
157.10153	1.7
162.34517	0.4
175.11160	1.8
177.63248	0.3
193.12259	3.8
211.13280	2.3
212.13316	0.3
214.01743	0.4
239.67126	0.4
243.08400	3.0
251.12489	4.2
285.16840	0.5
307.15146	1.4
469.20404	14.1
470.21075	0.5
535.28809	0.8
680.16101	0.4
697.33960	100.0
698.34454	7.9
713.10779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01872	0.7
55.05515	1.0
55.59406	0.2
57.03429	1.8
57.52582	0.2
61.02920	4.2
62.14011	0.2
67.05504	2.3
69.03424	2.6
69.07072	0.5
69.51050	0.5
69.51440	0.4
71.01351	0.5
71.04996	0.6
73.02920	3.2
79.05486	2.2
81.03410	4.9
81.07053	2.5
83.04978	1.3
83.08611	1.6
85.02898	5.4
87.04448	0.3
89.47350	0.2
91.03955	3.3
91.05468	3.4
91.05979	0.3
93.07039	1.5
95.04961	1.7
95.08620	0.8
97.02891	3.8
97.06543	0.5
98.22714	0.5
98.23361	0.4
99.04459	0.7
101.02366	1.7
105.07023	2.8
107.04951	0.4
107.08598	0.7
109.02895	0.8
109.06539	0.7
109.10133	0.3
109.78781	0.2
111.08080	0.6
115.05478	0.3
117.07100	0.2
119.08575	1.6
121.10114	1.1
123.08109	0.6
127.03909	1.2
128.06259	0.2
129.06918	1.2
131.08545	1.2
133.06500	0.6
133.10106	1.5
137.06000	1.3
137.09642	0.2
138.06354	0.2
142.07831	0.3
145.05014	0.3
145.10185	0.3
147.11688	1.3
149.09628	0.7
153.05534	0.3
157.10103	1.5
161.06000	0.7
163.11180	0.3
165.12772	0.3
167.07069	0.2
175.11134	1.4
177.05556	0.3
185.04279	0.5
193.12271	2.2
198.64133	0.3
203.05400	0.2
211.13246	1.1
231.97292	0.2
243.08366	2.3
251.12502	1.9
258.96689	0.2
267.15997	0.3
285.16898	0.5
297.11243	0.3
307.15240	0.9
309.11163	0.3
467.47672	0.3
469.20459	12.3
470.21143	0.7
697.33978	100.0
698.34357	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	697.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57906	0.4
53.03942	0.4
55.01867	0.5
55.05495	0.5
57.03422	1.2
61.02916	3.4
67.05491	1.7
67.98902	0.3
69.03407	2.2
69.07056	0.9
70.28051	1.0
71.04982	0.5
73.02902	2.1
79.05494	2.1
81.03403	5.3
81.07056	1.9
83.04961	0.7
83.08613	1.6
85.02890	5.0
91.03965	1.6
91.05472	2.8
93.07042	1.4
95.04971	1.9
95.08595	1.0
97.02871	2.4
97.06536	0.5
101.02378	1.5
105.07024	1.7
107.04945	0.7
107.08594	0.6
109.06499	0.4
111.08083	1.0
119.08592	1.4
121.06557	0.4
121.10134	0.6
127.03883	1.0
129.06996	0.7
131.08585	0.6
133.10120	0.9
137.06003	1.4
147.11690	1.1
151.03941	0.4
157.10158	1.3
160.11302	0.3
175.11182	0.8
177.05504	0.5
184.32730	0.4
185.04187	0.6
193.12201	2.9
203.05019	0.5
211.13326	1.6
243.08307	2.3
251.12491	3.1
307.15097	0.9
355.12140	0.4
367.17554	0.5
467.06757	0.4
469.20370	11.9
470.20880	0.6
697.33917	100.0
698.34314	7.7
698.46332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
55.02001	0.7
55.05411	1.0
55.05637	0.9
57.03296	1.2
57.03582	1.1
61.02745	3.1
61.03097	3.1
67.05284	4.6
67.05690	5.6
69.03214	1.4
69.03621	2.2
69.06879	1.0
69.07199	0.6
69.30201	3.4
71.05137	0.7
73.02664	2.3
73.03118	3.1
73.89137	0.6
74.14416	0.6
79.05694	1.5
81.03623	1.6
81.06759	1.6
81.07280	2.5
83.05161	0.6
83.08366	0.8
83.08780	1.1
85.02565	2.5
85.03146	4.3
85.10356	0.5
87.04168	0.7
87.04649	1.1
91.03559	1.6
91.04198	3.5
91.05141	1.2
91.05689	1.2
93.07293	2.4
95.05141	0.8
95.08850	1.7
97.02445	1.7
97.03149	4.0
97.06703	0.7
98.23473	1.2
99.04656	1.3
99.51711	0.6
101.01997	0.9
101.02596	1.5
105.06629	0.8
105.07263	1.5
107.08218	0.7
107.08844	1.3
109.03102	1.3
109.09586	2.7
109.10441	7.4
119.08810	1.0
121.09603	0.6
121.10419	1.4
127.04198	1.6
129.05690	1.1
131.08803	0.6
133.10367	0.7
145.05267	0.8
149.13480	0.7
156.04245	0.6
157.91832	0.7
173.12097	2.2
184.03741	0.7
185.04607	2.8
195.10205	1.4
201.03970	1.2
203.05525	0.7
229.14780	2.3
235.13448	1.5
243.08846	4.2
247.16740	0.9
251.12770	1.3
265.14389	1.1
268.01193	0.8
301.08875	5.7
310.96277	0.6
311.14981	0.8
315.10965	2.5
327.10837	0.7
329.33386	0.6
343.13968	0.7
369.15585	1.2
371.16724	3.8
373.10919	3.2
385.18326	3.0
387.12860	0.8
389.26865	1.2
413.17764	18.9
414.18277	0.8
425.21274	2.9
429.17862	1.1
443.19119	1.1
453.20966	6.1
453.25793	0.6
463.26962	1.6
469.20718	0.7
483.22162	1.0
484.22717	3.3
485.19754	7.1
497.23758	0.9
499.21936	2.4
527.25366	0.9
541.25958	3.4
553.30072	2.4
567.31409	22.9
568.32159	2.8
596.31549	13.2
597.32080	2.3
623.34174	0.9
625.31885	100.0
626.32520	6.0
628.30670	1.9
651.33453	8.5
653.35022	0.9
669.33948	1.3
697.33856	42.6
698.34375	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	697.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.1
61.02919	4.1
61.72005	0.6
67.05497	1.5
69.03429	2.3
69.92149	1.3
69.92512	1.1
71.05003	0.9
71.24825	0.5
73.02898	3.2
79.05480	3.1
80.47758	0.7
81.03410	8.2
81.07048	3.0
83.08619	1.4
85.02892	5.1
91.03957	1.7
91.05460	3.0
93.07023	1.5
95.04942	3.3
95.08591	0.9
96.00178	0.6
97.02911	3.0
97.06525	0.7
99.04427	1.0
101.02351	1.5
105.07039	2.9
107.04932	1.1
107.08580	1.3
107.46252	0.6
109.02911	0.6
111.08084	0.8
119.04900	0.6
119.08595	2.3
121.10133	0.9
127.03938	1.5
129.07016	2.0
131.08586	1.1
133.06459	0.9
133.10123	0.9
137.05945	5.0
145.10124	0.7
147.11685	1.9
149.05881	0.6
149.09631	1.0
151.03909	1.4
151.74576	0.7
157.10179	1.8
161.05939	1.5
165.12939	0.8
175.11226	1.0
187.14772	0.8
189.44498	0.6
193.12193	3.0
205.08493	0.6
211.13326	1.2
227.40503	0.6
243.08499	2.5
251.12581	2.1
278.01630	0.7
290.04852	0.7
451.19510	1.7
469.20328	12.5
469.26389	1.0
697.33942	100.0
698.34216	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01852	0.5
55.05508	1.1
57.03426	1.4
59.87805	0.3
61.02923	3.0
67.05491	2.1
68.05807	0.3
69.03418	2.4
69.07078	0.6
71.01348	0.5
71.04969	0.7
73.02903	1.7
79.05489	1.6
81.03408	6.0
81.03884	0.3
81.07039	2.3
83.04978	0.6
83.08596	1.6
85.02901	4.7
91.03953	1.8
91.05464	2.4
93.07014	1.5
95.04953	2.4
95.08606	0.9
97.02885	3.1
97.06525	0.5
97.10168	0.4
98.22607	0.6
99.04471	0.5
101.02379	1.0
105.07014	1.7
107.04930	0.5
107.08589	1.0
109.02886	0.8
109.06551	0.4
109.10200	0.6
111.08108	0.9
119.08579	1.5
121.10158	1.2
127.03933	1.2
127.98869	0.3
129.07004	0.8
131.08595	1.0
133.10109	2.1
135.11731	0.6
145.10210	0.3
147.11700	1.1
149.09686	0.6
151.11125	0.4
157.10133	1.1
163.11195	0.4
175.11174	1.6
184.07245	0.3
185.04303	0.5
190.34500	0.3
193.12210	2.9
211.13280	2.3
221.11617	0.5
224.31021	0.4
243.08383	2.8
251.12492	3.2
251.14500	0.3
265.56021	0.3
283.15375	0.4
307.15247	1.3
437.17947	0.7
469.20456	12.8
470.20398	0.7
471.21378	0.5
501.23038	1.5
535.28851	0.6
697.33929	100.0
698.34271	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	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03442	2.1
61.02925	4.7
62.29436	0.9
67.05507	4.9
69.03410	2.0
69.07076	0.9
69.19867	1.0
69.50394	2.3
69.50780	1.9
71.04993	1.5
73.02926	2.6
75.33001	1.0
79.05498	3.4
81.03421	2.4
81.07066	3.5
85.02898	5.4
91.03959	2.9
91.05486	1.7
93.07053	4.1
95.01080	1.1
95.04979	1.1
95.08617	1.8
97.02917	4.4
97.06600	1.2
99.04422	1.2
101.02384	1.4
105.07064	1.0
107.08617	3.1
109.02905	1.5
109.10118	1.3
119.08601	1.6
127.03968	1.8
129.05531	1.7
129.91022	1.0
134.85756	0.9
142.52847	1.0
145.04950	1.7
149.13257	1.3
181.04745	2.0
185.04170	6.2
199.13419	1.2
201.03864	1.5
203.05420	1.5
235.13156	2.6
243.08427	3.6
261.14780	2.2
266.67957	0.9
269.17432	1.6
301.08902	15.1
313.08960	1.3
315.10620	3.5
317.08755	1.3
329.12283	1.7
333.16818	2.2
351.17987	2.3
373.10959	5.0
379.17303	2.4
383.16861	3.6
385.18289	6.5
387.12704	2.0
394.39807	1.0
401.14395	1.1
423.19830	1.2
425.21722	2.4
443.18832	7.3
453.20950	18.3
457.20633	1.8
469.20435	4.9
483.22125	2.9
484.22964	2.1
512.22070	2.6
525.22754	6.2
527.27856	1.6
539.24738	2.1
553.26862	2.3
567.31604	21.9
568.31873	2.1
579.31537	1.5
595.30811	7.1
596.31403	2.8
651.33472	25.8
652.33350	1.8
679.32928	3.6
697.33942	100.0
698.34290	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	697.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26200	0.3
53.03937	0.5
55.01866	0.5
55.05500	1.0
57.03428	2.3
59.04995	0.3
61.02925	4.1
64.33588	0.3
67.05491	4.4
69.03426	2.0
69.07050	0.8
71.05000	2.5
73.02906	3.4
78.07046	0.3
79.05486	2.6
81.03415	3.3
81.07063	2.6
83.01344	0.4
83.04980	1.0
83.08607	1.0
85.02891	4.8
85.06551	0.5
87.04468	0.5
91.03938	2.3
91.05470	2.6
93.07034	2.5
95.04969	1.4
95.08597	1.3
97.02877	3.4
97.06517	0.8
99.04447	1.1
101.02396	1.5
105.07047	1.0
107.04949	0.7
107.08573	1.7
109.02902	0.6
109.06494	0.4
109.10175	2.0
115.03902	0.5
117.07030	0.4
119.08574	1.5
121.10139	1.2
123.08042	0.5
127.03921	1.2
129.05446	0.4
131.08556	0.6
133.10143	0.7
135.08080	0.6
135.11685	1.8
137.09634	1.4
145.10138	0.9
155.10715	0.4
163.11176	1.7
181.12257	0.4
185.04224	0.8
193.12180	0.5
203.05322	0.4
243.08319	1.9
243.16064	0.4
253.14220	0.6
267.09113	0.9
267.15863	0.7
269.10672	0.5
285.10080	0.8
301.09088	0.9
347.23932	0.3
373.11432	0.5
385.18579	0.5
385.63309	0.4
439.19534	0.8
443.18652	0.8
451.19220	1.2
453.20923	2.5
467.18948	3.9
469.20715	0.6
471.22031	2.6
485.19821	0.6
487.18460	0.7
616.93701	0.4
625.31921	1.0
651.33362	1.1
653.30383	0.5
679.32928	1.9
697.33716	100.0
698.34027	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	697.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
57.03443	2.3
58.54244	0.7
61.02920	8.2
67.05498	9.0
69.03070	0.6
69.03412	3.8
69.07079	1.8
71.05004	3.2
73.02921	4.9
79.05494	3.8
81.03428	1.9
81.07050	10.1
81.07420	0.9
83.04983	1.0
83.08621	2.5
85.02900	6.7
89.45013	0.7
91.03957	4.0
91.04968	0.9
91.05462	3.8
93.07027	5.3
95.04993	1.6
95.08624	1.7
96.36348	0.9
97.02888	5.4
97.06527	0.9
99.04491	1.1
99.93262	0.7
101.02397	1.7
103.03953	0.8
105.07026	1.8
105.17962	0.8
107.08607	2.5
109.02895	1.1
109.06580	0.8
109.10184	3.0
119.08607	1.6
121.10163	1.6
127.03988	2.1
129.05576	0.8
131.08560	1.1
133.10115	4.2
149.13246	2.0
158.62099	0.6
159.11707	1.1
165.72409	0.8
169.84514	0.8
173.11818	1.3
183.13812	0.8
185.04115	1.3
186.66185	0.8
203.05403	1.1
206.21875	0.9
215.96628	0.8
235.13158	1.7
243.08484	3.1
267.15884	1.4
301.08966	1.1
349.10648	0.9
371.16852	1.6
391.82379	0.8
398.50357	0.8
413.17911	3.5
425.21799	1.1
429.17859	0.8
453.20929	7.2
481.18494	1.1
482.86621	0.9
484.23010	1.3
485.23883	6.5
541.26160	1.1
567.31213	6.6
593.37122	1.4
596.31311	3.7
624.82550	0.8
625.31915	21.1
625.41614	1.5
626.32428	1.6
628.24969	1.2
651.33350	1.7
652.34552	0.8
669.34064	0.8
697.37592	100.0
698.37939	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	697.3762
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
55.01870	0.6
55.05508	1.0
57.03429	1.6
61.02923	4.2
67.05505	5.3
69.03423	2.6
69.07066	1.0
69.11092	1.2
69.11517	1.1
71.01351	0.6
71.04984	3.5
73.02908	3.3
79.05497	2.0
81.03423	1.5
81.07050	6.2
83.08615	1.1
85.02909	4.2
85.06543	0.7
87.04470	0.4
91.03946	2.3
91.05479	2.6
93.07046	3.3
95.04990	0.5
95.08618	1.2
97.02882	3.2
97.06531	1.0
99.04464	1.1
100.59614	0.4
101.02350	1.9
103.03922	0.4
105.07021	0.9
107.08566	2.3
109.02886	1.0
109.10170	0.9
111.08073	0.7
117.07041	0.6
119.08572	0.4
121.10183	1.3
123.07976	0.5
123.11710	1.2
127.03923	1.6
131.08583	0.9
133.10103	1.8
135.11670	0.6
145.33855	0.3
149.13283	1.9
151.11166	0.6
159.11748	1.4
177.12776	0.4
183.13893	0.5
185.04245	0.8
187.13333	0.7
195.13802	0.6
235.13147	1.3
243.08376	2.7
257.17554	0.6
267.15701	1.0
269.17557	0.4
289.45370	0.3
291.15567	0.5
323.18365	0.7
378.87787	0.4
390.33765	0.4
413.17932	1.0
441.21136	0.5
453.21021	8.4
485.23682	5.8
567.31549	1.1
596.32727	0.4
625.31830	4.0
697.37646	100.0
698.38019	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	697.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43362	1.1
55.05498	4.0
57.07080	1.6
61.02913	1.2
65.03924	1.1
67.05505	11.7
69.03417	2.5
69.07063	13.1
72.04483	1.0
79.05482	5.6
81.07046	15.7
83.04998	1.4
83.08634	3.0
85.02903	5.5
87.00808	2.3
91.05469	7.3
93.07050	12.1
95.04962	2.8
95.08593	22.6
97.02890	1.7
97.06540	3.5
99.08076	1.3
105.01863	4.0
105.07021	12.5
107.08593	15.9
109.06506	2.7
109.10146	36.6
111.08064	1.8
116.05636	1.2
117.07034	2.9
119.08569	10.2
121.06519	3.8
121.10151	10.5
123.08056	5.3
123.11691	2.6
125.09574	2.0
127.03905	2.9
127.11166	8.1
129.06972	2.6
131.08539	6.2
133.06465	1.7
133.10115	8.3
135.08058	1.7
135.11681	4.2
137.09625	1.9
137.13261	1.9
142.07692	1.8
143.08589	6.1
145.06458	1.3
145.10123	8.8
147.08035	3.3
147.11702	6.8
149.13268	4.9
155.08571	2.8
157.10100	5.7
159.07986	2.5
159.11665	5.8
161.09583	4.1
161.13235	7.4
161.58524	1.1
163.11226	1.4
163.14842	3.1
169.10144	1.9
171.08017	1.9
171.11661	5.7
173.09637	3.5
173.13289	8.2
175.11192	12.6
175.14694	1.2
177.16391	2.7
179.14273	8.7
183.11765	2.0
184.71809	1.2
185.13280	2.7
187.11166	2.2
187.14943	2.2
189.12746	5.1
191.10620	2.4
193.12230	5.1
195.11592	1.5
197.13286	3.2
199.11185	1.7
199.14746	5.4
201.12732	1.8
201.16347	1.9
207.13828	1.3
209.13213	2.6
213.12804	1.6
213.16431	1.8
215.14325	9.9
215.18039	1.4
217.15894	7.4
227.17963	1.3
231.04961	1.5
233.15315	12.1
235.14806	1.3
235.16905	1.9
245.15436	1.8
249.06110	1.9
251.18021	1.5
255.20963	1.6
263.16211	5.5
265.19507	1.2
267.17569	1.3
269.19135	1.6
281.19034	1.6
285.18396	4.4
287.20004	9.7
297.17627	1.4
303.20950	1.9
311.19943	1.8
313.21512	3.2
315.23300	1.2
319.24243	1.7
321.22098	3.3
327.23242	2.4
331.22778	1.3
339.23157	12.3
345.24097	1.9
357.24149	3.9
359.27390	2.0
377.28375	4.4
395.29379	60.3
396.29596	2.1
413.30457	100.0
414.30716	4.7
431.31573	19.4
521.87170	1.4
578.85352	1.4
697.33673	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	697.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01873	2.1
55.05513	4.7
57.03435	3.6
57.07062	1.1
60.08166	0.9
61.02921	4.9
65.03926	1.3
67.05505	13.0
69.03420	4.2
69.07066	6.9
70.02407	1.3
70.02789	3.4
71.05013	1.3
73.02901	2.7
74.19426	1.0
79.05126	0.9
79.05495	7.9
80.05811	2.0
81.03415	12.2
81.07058	12.5
82.07380	1.3
83.04969	4.8
83.08608	3.4
84.05271	1.3
85.02899	7.9
86.09700	1.0
87.00832	1.3
91.03935	2.1
91.05476	13.9
92.05777	1.2
93.07041	11.5
94.07367	1.1
95.04962	8.0
95.08599	10.1
96.08936	1.4
97.02880	7.0
97.06502	2.5
99.04457	1.6
103.05508	1.0
105.04518	1.0
105.07023	9.6
106.07379	1.8
107.04948	2.3
107.08609	9.3
109.02859	1.3
109.06524	1.9
109.10162	13.8
111.08091	2.9
116.03997	1.0
117.07030	2.4
119.04971	1.0
119.08582	7.9
119.93692	1.0
121.06563	2.4
121.10117	7.1
122.09663	1.1
123.08054	3.1
123.11725	1.5
124.99995	1.9
127.03914	3.1
127.11166	2.9
129.06993	2.8
131.04980	1.3
131.08569	5.7
132.08870	1.3
133.02843	1.4
133.10114	4.5
135.08020	1.5
135.11632	2.5
137.06007	3.9
137.09589	2.8
139.11113	1.5
142.07625	1.1
143.08565	2.1
145.04953	1.5
145.10118	3.3
147.08018	1.7
147.11662	5.4
149.09615	2.9
149.13193	1.5
151.11284	1.3
153.01845	5.6
157.10114	3.3
159.11751	3.1
161.09651	1.4
161.13234	2.7
163.11258	1.1
165.12724	1.2
173.09610	1.9
173.13272	2.8
174.12227	1.2
175.11174	5.8
179.14296	2.3
184.07309	4.1
185.09598	1.3
187.14780	1.8
189.12682	1.5
193.12189	5.6
194.12605	1.6
199.14825	2.3
209.15434	3.1
211.13345	4.5
212.13651	2.2
215.14331	1.7
217.15965	2.1
233.15340	5.1
243.08322	2.3
251.12346	2.7
252.15982	3.6
263.16364	1.5
267.15884	1.9
271.15448	2.2
272.15771	2.7
281.19110	1.2
285.17010	2.3
286.17337	1.5
287.20154	3.4
313.21866	1.6
326.19534	1.5
339.23169	3.7
377.28311	1.6
395.29422	15.8
396.29752	1.2
413.30481	25.1
414.30673	1.6
431.31757	7.5
460.30447	1.6
464.27380	2.5
469.20474	12.1
481.28027	2.3
482.28201	8.8
535.29370	1.2
536.31226	1.2
653.31482	1.4
665.40094	3.9
679.32477	1.7
697.33862	100.0
698.34467	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	698.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03935	0.6
69.03423	1.1
70.06580	0.5
71.42251	0.3
79.01849	3.0
81.03397	2.3
85.02901	0.3
85.45434	0.3
97.02880	7.2
99.04423	0.5
107.01299	2.2
109.02859	4.0
119.04926	0.4
125.02341	3.3
127.03904	8.6
137.05923	1.9
143.03386	4.9
147.04419	0.7
153.01807	100.0
153.02853	4.4
154.02132	1.5
155.55914	0.3
165.05472	0.4
171.02856	19.4
172.03183	0.4
177.05440	0.5
179.07054	0.5
203.07156	0.4
229.08557	0.5
233.08072	0.5
257.08115	0.7
261.04105	0.6
279.04868	0.9
293.09952	0.4
297.06012	8.3
315.07352	0.7
359.98087	0.3
467.08206	2.5
468.08298	0.4
535.05359	0.3
698.24713	0.6
711.44806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05669	3.4
55.01887	4.8
55.05500	11.8
57.03424	4.1
57.07067	7.5
67.05504	18.5
69.03419	11.8
69.07066	10.4
70.01946	9.0
79.05475	20.6
81.03403	5.1
81.07049	52.6
83.04965	9.7
83.08602	11.1
85.02895	24.4
85.91914	3.9
86.46882	3.5
91.05463	27.8
93.07034	44.1
95.04955	8.7
95.08596	60.2
97.02886	12.3
97.10159	5.0
100.11237	10.8
105.07026	76.3
107.08588	91.7
109.02901	3.6
109.06541	4.2
109.10156	44.3
111.04429	3.8
111.08080	24.7
117.07025	11.5
119.08574	55.7
121.10120	35.2
123.11724	23.8
125.09636	55.8
131.08556	38.2
133.10118	59.8
135.11673	19.5
137.05945	10.1
137.09593	7.1
142.07773	5.7
143.08568	17.2
145.10120	68.0
147.11678	43.6
149.09668	5.3
149.13278	10.6
151.11185	4.6
153.01782	5.5
155.08575	5.8
156.09300	6.4
157.10132	27.7
158.10941	6.9
159.11691	88.2
160.12022	4.7
161.09669	4.1
161.13258	39.0
161.81152	3.4
162.07611	4.2
163.11195	5.9
163.14798	14.3
169.10092	11.5
170.10884	5.4
171.11693	40.4
173.13257	100.0
175.14807	32.3
177.12683	6.1
177.16339	16.9
180.08609	3.6
183.11687	12.6
184.12433	7.0
185.13249	43.9
186.13684	4.2
187.14804	81.0
189.16338	24.3
191.10681	4.5
191.14311	12.5
191.17923	3.9
193.12254	8.7
193.15855	8.2
197.13255	22.8
199.10904	4.5
199.14815	80.4
201.16365	47.7
203.14389	8.6
203.17931	11.6
205.12228	7.8
205.15845	60.6
207.13756	7.7
209.13327	5.6
210.14929	5.3
211.14847	8.4
213.16385	29.1
215.14296	7.6
215.18021	6.3
217.12294	6.2
217.15894	13.6
219.13792	20.8
219.17320	22.0
221.15347	8.5
223.14783	5.9
225.16451	9.2
227.17850	8.0
231.13797	17.1
231.17445	10.8
233.15318	15.7
239.17953	4.1
241.19519	4.5
243.13751	9.5
244.73187	3.7
245.15344	27.8
251.12796	6.3
253.19347	5.2
259.99060	3.6
265.14377	10.9
276.47397	4.0
277.14346	5.7
279.15845	7.9
291.15909	20.3
319.18890	4.3
357.20544	4.6
371.22153	15.2
373.23871	5.6
373.28882	10.1
391.29770	36.6
393.31506	22.1
401.28040	4.1
409.30679	7.5
419.29648	23.6
437.30536	64.7
438.30823	4.2
439.32034	8.2
453.29953	26.9
455.31372	6.6
458.90335	4.1
465.29965	74.2
483.31012	69.6
484.31567	5.0
645.35614	12.5
697.52167	6.6
698.23895	8.5
698.52600	18.1
699.22455	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	698.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94224	4.4
55.01867	9.3
55.05510	36.1
57.03423	11.0
57.07060	8.9
65.63119	4.3
67.05502	92.3
69.07066	34.8
71.04992	6.9
71.08627	27.5
79.05489	65.0
79.92406	4.1
81.03422	6.2
81.07059	100.0
83.04987	16.7
83.08619	22.1
85.06580	5.3
91.05479	54.6
93.07040	77.5
95.04961	15.5
95.08601	43.7
97.06494	9.9
97.10165	12.1
99.08117	22.8
104.10485	4.2
105.07017	35.5
107.04945	6.9
107.08601	35.8
109.10165	16.0
111.08051	7.8
113.09657	5.9
117.07027	17.3
119.08597	20.5
121.06466	4.8
121.10122	28.4
123.08118	4.5
123.11688	8.4
125.09654	8.8
131.08551	24.1
133.10143	21.5
135.11716	24.3
136.51108	4.6
143.08598	4.9
145.10130	18.2
147.11664	18.7
149.13261	25.5
151.11195	22.9
157.10051	7.8
159.11711	15.2
161.13261	18.4
163.11172	12.7
169.10176	4.8
171.11778	10.1
177.12741	10.0
179.14326	8.8
195.13794	11.9
213.16331	5.0
215.12624	4.6
227.12766	9.8
241.19531	6.3
247.16702	5.4
259.20605	10.3
264.52484	4.5
269.17447	44.0
273.30923	4.2
277.21628	34.4
351.25296	40.6
352.25940	5.4
367.25195	5.5
453.34225	4.4
463.30429	47.1
527.37079	7.2
545.38477	54.9
613.37238	4.9
622.44800	4.8
698.42365	11.8
699.44196	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
57.03418	0.2
61.78365	0.2
67.05502	1.0
79.05486	0.7
81.03415	0.4
81.07041	0.5
87.04457	0.3
91.05487	0.5
93.07042	0.9
95.08602	0.4
98.23506	0.6
102.98264	0.3
104.58684	0.2
105.07051	0.5
107.08677	0.3
119.08600	0.3
121.06554	0.3
121.10155	0.3
135.15669	0.3
149.02336	0.3
171.11815	0.4
184.07285	0.4
185.04315	0.8
259.07889	0.5
278.67480	0.3
281.17545	0.7
282.17926	0.4
297.56384	0.2
301.20178	0.6
347.09598	1.1
404.95706	0.3
487.30734	0.7
488.30878	0.7
511.06055	0.3
536.09882	0.3
537.30286	15.8
538.30951	0.7
549.95679	0.3
587.46918	0.3
699.35504	100.0
700.35803	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	699.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
62.86354	0.2
67.05489	0.3
67.73294	0.2
69.66470	0.5
81.27347	0.2
98.22915	0.6
116.13744	0.2
147.37532	0.2
151.14581	0.2
185.04213	0.7
203.05286	1.6
259.07825	1.3
275.07855	0.2
301.20178	0.5
305.08649	0.3
347.09528	1.2
365.10620	2.8
421.13071	1.4
537.30267	19.5
538.30634	0.9
591.67004	0.2
699.35492	100.0
700.35742	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62842	1.5
61.02920	5.7
67.05506	3.2
69.03440	1.9
70.86923	1.3
71.04988	2.5
73.02914	3.0
79.05493	1.7
81.03427	3.6
81.07047	3.1
81.99520	1.3
85.02906	4.1
91.03955	2.5
91.05493	2.6
93.07060	2.9
95.04976	1.6
95.08633	1.3
97.02912	4.2
98.22975	1.4
103.05504	1.4
119.08602	1.9
127.03930	2.2
131.08618	1.4
133.10036	1.6
133.81378	1.4
135.11729	2.2
137.06001	5.6
147.04420	1.4
147.11731	1.5
147.47166	1.6
151.07536	1.9
153.01891	1.8
158.40488	1.4
177.27708	1.6
182.28993	1.5
243.15910	1.5
255.91748	1.5
349.76044	1.7
349.80621	1.3
453.20966	2.5
469.20227	7.6
471.22079	4.4
517.17035	1.6
699.35449	100.0
700.35907	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	699.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01874	0.4
55.05505	0.8
57.03433	2.0
58.24857	0.3
59.05005	0.5
61.02922	3.4
67.05499	2.9
69.03416	2.0
69.07053	0.6
69.62120	1.2
71.01294	0.3
71.04985	1.2
73.02920	2.5
78.93702	0.3
79.05485	3.1
81.03411	3.2
81.07056	2.2
83.04985	0.7
83.08622	0.7
85.02905	3.6
87.04456	0.5
91.03948	2.4
91.05484	2.1
93.07040	3.5
95.05005	0.9
95.08588	0.5
95.22875	0.3
97.02873	2.9
97.06538	0.9
97.10194	0.6
98.72266	0.3
99.04446	0.4
100.63461	0.3
101.02384	1.4
103.03880	0.4
105.07039	1.1
106.95183	0.3
107.08588	2.1
109.02913	1.0
109.10169	0.4
117.07028	0.5
119.08563	1.2
121.10141	1.0
127.03921	1.0
128.59985	0.3
131.08589	0.6
133.10136	0.9
135.11676	3.0
145.04977	0.3
145.10162	0.9
147.11681	1.1
149.09644	1.3
157.10135	0.5
161.39635	0.3
163.11226	0.4
165.83969	0.3
175.11203	0.8
181.12253	0.8
185.04253	0.5
193.12296	1.4
194.27139	0.3
203.05357	0.3
211.13040	0.4
221.11533	1.0
225.14886	0.4
243.08411	2.2
254.55190	0.3
255.15851	0.4
267.15952	1.1
277.14020	0.4
283.15216	3.1
315.11124	0.3
339.18015	0.7
439.19324	9.4
440.19604	0.5
441.20966	0.4
469.20459	0.6
471.22012	0.5
501.22913	8.4
502.23343	0.4
537.30212	0.7
699.35535	100.0
700.35754	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	700.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55012	0.4
55.01861	1.6
57.03423	1.6
61.02909	3.0
65.03937	0.7
69.03100	0.7
69.03426	5.8
69.14639	1.8
69.15044	1.1
71.04984	1.1
73.02908	1.1
78.38544	0.4
81.03410	3.1
81.07050	0.6
85.02895	33.7
91.03947	1.7
91.05463	1.1
93.03401	1.2
94.04184	1.3
95.05031	0.5
97.02879	7.9
99.04435	1.1
102.16611	0.5
103.05454	1.3
106.32554	0.4
107.04970	0.5
109.02854	2.4
109.06515	0.6
111.04394	0.8
115.05435	4.8
117.07015	0.9
122.03635	3.4
125.05978	1.4
127.03901	7.5
128.06207	1.3
129.06990	5.3
131.04915	2.6
133.02763	0.5
137.05956	72.7
138.06294	1.2
143.04901	9.8
144.05714	1.1
145.04936	10.9
145.06441	1.4
147.08063	0.6
149.05983	0.5
151.07579	0.5
153.05455	2.4
157.06487	4.8
160.05177	15.6
161.05922	1.9
163.05992	4.4
163.07523	2.2
165.05516	0.6
172.05179	2.0
174.06752	1.6
175.07520	100.0
176.07909	1.6
177.09055	1.4
185.05870	0.5
187.07515	31.5
188.07918	0.7
189.09070	7.5
203.08470	1.3
205.08569	23.1
211.07465	1.1
217.08568	3.6
219.08022	1.6
227.06902	0.6
231.08017	1.5
235.09602	26.5
239.06967	1.5
240.07817	0.6
247.07559	0.6
248.08223	1.8
255.06438	1.3
259.07504	1.1
263.10669	1.6
270.08774	1.1
271.09564	2.9
276.07782	1.4
279.10144	2.0
291.10065	5.2
311.12704	2.1
313.14038	0.7
323.12717	5.0
341.13846	7.4
342.13925	0.8
558.93304	0.5
701.26971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18010	2.3
52.58210	2.4
53.03938	4.3
55.01866	5.6
55.05507	23.5
57.03431	10.3
61.02894	2.4
65.03931	3.7
66.99730	2.5
67.05498	49.6
69.03425	3.8
69.07059	11.6
71.05006	3.0
79.05486	70.6
81.03410	13.2
81.07049	44.3
83.04943	13.3
83.08612	7.5
88.59233	2.3
91.05471	48.8
93.07040	56.5
95.04965	29.6
95.08604	26.6
97.06487	4.5
97.10167	10.5
105.07016	37.1
107.04956	18.0
107.05570	2.4
107.08576	22.0
109.06501	4.1
109.10163	10.6
111.08036	3.9
117.07007	15.1
119.08560	20.4
121.06512	4.9
121.10153	5.9
123.08115	4.4
125.09629	7.6
128.06277	3.3
129.07040	15.1
131.08574	5.8
133.10123	10.3
135.08078	2.9
135.11665	3.6
140.31387	2.8
141.07011	4.4
143.08556	5.1
145.10109	11.6
147.11693	24.2
149.13324	3.0
159.11707	5.6
161.09612	4.8
161.13263	7.2
169.10078	3.5
171.11687	16.9
177.12639	2.9
187.11209	3.5
189.11263	4.9
189.12764	6.8
205.12242	6.1
207.13835	25.0
223.13255	34.0
227.12791	3.8
229.14355	6.7
277.72690	2.8
279.15897	7.0
281.17465	46.1
297.16943	37.3
435.27054	12.7
442.42270	2.7
503.29953	100.0
504.30484	7.6
700.37262	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	700.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.0
53.03934	2.6
55.01868	6.8
55.05502	10.2
56.62212	0.8
57.03437	5.2
57.03664	0.8
57.07053	1.3
59.04996	1.3
65.03922	2.3
65.85928	0.8
67.05499	46.6
69.07058	12.7
69.43023	0.9
71.04971	2.1
79.05480	13.4
81.03423	3.8
81.07050	29.2
83.04973	3.3
83.08602	5.9
85.02891	1.1
85.06541	0.9
91.05466	24.2
93.07037	16.8
95.01298	4.8
95.04968	6.1
95.08590	14.4
97.06513	10.4
97.10201	1.3
98.23453	1.8
103.05434	1.2
105.04510	1.2
105.07020	29.8
106.07313	0.9
107.04935	7.4
107.08582	7.1
109.06464	1.4
109.10141	32.3
111.04431	1.0
111.08078	3.1
113.09599	1.1
117.07010	6.0
119.08563	19.1
121.06518	1.9
121.10140	4.2
123.08042	1.9
123.11687	1.1
125.09599	1.2
130.07767	0.9
131.08549	11.0
133.10117	19.7
134.10454	1.1
134.82829	0.9
135.08015	1.7
135.11676	2.9
137.09634	2.8
141.06969	1.1
143.08533	1.5
145.10114	6.9
147.11678	7.8
149.09619	4.1
149.13266	1.8
155.08478	1.3
155.10654	1.5
157.10138	1.4
159.11673	4.1
161.13258	1.8
163.11194	2.3
171.11717	1.1
173.11751	8.0
177.12746	1.4
179.14270	5.7
183.11699	0.9
184.07326	1.3
197.13380	1.1
211.13237	1.8
219.17339	1.1
221.64726	0.9
229.14319	31.8
247.20694	1.3
257.18936	2.8
269.17368	1.0
275.17020	1.9
275.20020	32.2
281.17563	1.1
293.21152	1.8
349.23666	16.2
350.23743	1.0
421.11313	1.2
436.30215	0.9
503.33612	100.0
504.34006	6.5
539.32404	1.0
647.37311	2.3
701.37189	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.7
57.03423	4.9
57.07069	34.8
61.02922	13.5
67.05493	9.6
69.07054	6.3
69.38284	5.5
71.08624	31.7
73.02902	4.4
75.04447	1.9
81.07041	13.9
83.08618	12.1
85.02890	14.3
85.10180	14.4
91.03934	14.0
95.08590	25.2
97.02858	9.1
97.10173	10.4
98.23440	2.5
99.11716	1.6
109.10138	10.7
111.11716	4.0
115.03966	1.4
123.11697	3.4
125.13255	1.4
127.03899	5.1
137.13210	3.0
145.03975	1.2
145.04922	6.8
163.06020	11.1
184.07301	1.9
195.56496	1.3
249.25500	1.3
267.26788	19.9
268.27213	1.2
285.27744	5.9
293.22220	1.2
341.30469	100.0
342.30737	3.6
359.31491	27.3
700.44635	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	701.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79285	0.2
57.48732	0.3
58.31997	0.2
67.05479	0.3
67.14793	0.2
70.06567	0.3
85.24673	0.2
91.05484	0.3
98.23306	1.0
124.44093	0.2
142.13495	0.3
149.02357	0.7
155.64822	0.3
162.15254	0.3
185.04272	1.0
193.04977	0.3
203.05222	2.0
256.26468	0.6
259.07770	1.3
280.95871	0.3
296.65671	0.3
305.08200	0.3
321.22678	0.4
347.09497	1.4
365.10568	3.2
421.13187	1.1
492.92419	0.4
517.69928	0.3
539.31854	20.5
540.32257	1.1
701.37067	100.0
702.37555	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	701.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74257	0.2
69.29393	1.2
98.23151	1.1
129.11777	0.2
149.02406	0.3
185.04234	0.7
192.19722	0.2
256.26462	0.5
259.07901	0.3
314.60217	0.3
347.09579	0.9
539.31860	19.7
540.32068	1.0
701.37079	100.0
702.25415	0.5
702.37469	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	702.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21968	0.4
66.99725	0.4
69.03416	1.8
70.12004	1.3
85.02479	0.6
85.02907	5.5
91.05471	3.8
94.04184	0.5
95.04952	1.2
97.02882	1.6
98.22841	0.6
103.05458	7.9
105.07016	0.8
107.04927	0.8
109.06531	1.1
115.05441	1.3
117.07011	2.1
119.04946	2.7
121.06481	1.7
122.03622	1.1
123.08004	0.6
125.05993	0.5
127.03899	0.7
128.06218	0.6
129.06976	1.7
131.04913	17.4
133.06454	1.0
135.08012	1.3
137.05966	31.5
138.06300	0.6
143.08542	0.9
145.04967	0.8
145.06458	1.2
146.03555	0.5
149.05963	2.1
151.03844	0.5
151.07523	21.6
153.01839	2.5
157.06491	2.1
159.08043	0.5
161.05962	5.0
161.09625	0.6
162.06714	1.8
163.07527	56.3
165.07002	0.7
165.09152	0.9
167.08620	1.5
171.08073	1.1
174.06775	1.1
175.07524	4.9
177.09091	100.0
178.07903	0.6
178.09364	2.1
179.05470	0.5
189.09081	6.3
190.05022	0.6
193.06517	0.6
195.02866	0.8
195.08028	3.4
195.10135	2.7
201.09052	0.9
203.10678	0.6
207.10139	1.4
209.09624	0.9
219.08130	0.8
219.10132	5.3
221.06012	1.2
221.09799	1.3
221.11697	33.1
222.12076	1.0
223.07434	1.0
225.09105	1.4
227.10648	5.4
233.09471	0.8
235.07384	0.6
235.78119	0.5
240.07664	0.6
243.61180	0.5
249.09074	1.0
250.06456	0.6
250.09665	0.4
253.08630	2.2
253.12256	2.7
255.10110	5.2
265.08542	1.4
267.10226	1.3
269.08112	0.8
269.11798	0.5
272.10349	0.7
277.79422	0.5
281.11765	1.0
285.11151	4.1
287.12723	8.1
293.11758	1.0
297.11246	1.0
299.12701	1.3
311.12650	2.9
313.14325	8.4
325.14349	0.8
331.15356	48.2
332.15729	2.0
343.11267	0.6
343.15366	10.8
345.16867	1.4
613.75330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74583	0.6
69.03410	1.6
69.66747	0.6
79.05499	0.9
80.46037	0.6
81.03426	0.7
85.02898	4.9
91.05457	4.6
94.04181	0.9
95.04944	1.3
97.02859	1.2
97.63892	0.6
103.05457	8.2
105.07010	1.0
107.04952	0.6
109.02882	0.8
117.07008	1.8
119.04913	2.6
121.06459	2.0
122.03620	1.8
123.08049	1.0
127.03932	1.1
128.06238	1.4
129.06978	2.1
131.04901	19.2
131.05890	0.9
133.06497	0.6
135.08012	1.4
135.36470	0.7
137.05959	30.7
143.08531	1.7
145.04935	1.3
145.06453	1.5
149.05975	2.0
151.07512	19.9
153.01811	3.6
155.19113	0.6
157.06468	1.7
161.05922	5.9
161.09654	1.0
162.06746	1.7
163.07513	49.3
164.07870	1.1
167.07133	1.0
167.08542	1.5
171.08018	0.7
174.06775	1.8
175.07497	5.0
176.57700	0.6
177.09079	100.0
178.09372	1.9
187.09114	0.6
189.09106	5.4
193.06464	1.3
193.08524	0.7
193.10164	0.9
195.02954	0.7
195.08046	3.7
195.10147	2.7
204.35976	0.6
207.08118	0.7
207.10146	1.2
219.10115	2.4
221.05894	1.2
221.09686	1.5
221.11684	28.1
222.12123	0.9
223.07503	1.8
224.34361	0.6
225.09041	1.6
227.10677	5.0
235.07495	1.0
237.09116	0.9
241.08365	0.6
249.09140	0.9
253.08594	2.0
253.12248	3.1
255.10178	3.3
261.09232	0.7
265.08685	0.9
266.05804	0.7
267.09998	1.7
269.08026	1.7
269.11569	0.7
272.10272	0.7
281.11667	1.0
285.11127	2.8
287.12711	8.0
293.11786	0.7
297.11026	1.0
299.12720	1.0
309.74567	0.8
311.12686	2.7
313.14307	6.2
331.15338	45.1
332.15668	2.2
343.15393	9.9
345.17004	1.3
440.13748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04820	1.9
53.03946	2.3
55.01871	4.5
55.05500	18.2
57.03429	12.3
57.07059	6.0
59.05002	5.8
61.02920	4.8
61.74953	2.1
65.03938	3.9
66.54310	2.3
67.05500	100.0
68.05807	2.8
69.03416	7.1
69.07058	13.0
70.06584	4.2
71.04973	6.7
79.05487	26.6
81.03417	7.0
81.07047	37.7
83.04975	3.7
83.08602	10.9
85.02924	4.8
85.06531	4.1
86.09715	2.9
88.07629	7.7
91.05472	43.1
93.07034	38.4
95.04949	7.5
95.08599	19.5
97.02890	5.0
97.06541	4.3
97.10162	4.1
102.09176	3.9
105.04494	2.9
105.07021	43.7
107.04960	3.9
107.08598	18.6
109.02888	2.7
109.06519	3.2
109.10150	71.7
111.08058	5.9
117.07021	11.8
119.08572	38.1
121.06555	2.8
121.10122	15.7
123.11761	3.1
125.09637	4.7
129.07021	6.3
131.08559	16.3
133.10106	28.0
135.08006	2.6
135.11685	8.9
137.09598	3.0
141.07010	2.9
143.08522	6.3
143.10779	2.8
144.79788	2.1
145.10124	12.2
147.11679	24.1
149.02333	15.7
149.03372	2.6
149.13268	7.3
155.08455	2.6
157.10115	5.6
159.11682	13.3
161.13268	14.4
167.08698	2.5
171.11690	9.1
173.11726	20.6
173.13261	7.9
175.14824	6.8
177.12828	2.6
181.10121	2.1
182.95731	2.1
184.07365	9.2
185.13219	7.2
187.14809	3.3
193.04994	7.4
199.14857	4.4
210.02428	2.1
213.12711	2.4
227.12743	7.8
229.14334	68.6
231.21083	5.3
237.07748	2.2
241.19511	17.4
253.19356	2.2
256.26340	7.0
257.19025	2.4
259.20547	59.2
259.23166	3.8
261.22104	3.2
275.20007	4.2
300.28839	2.9
315.22968	4.6
329.40359	2.1
333.24194	43.2
385.09219	3.8
403.10263	3.2
429.11859	4.7
487.34024	17.5
505.35260	19.8
541.35083	8.0
702.38177	28.9
703.38617	7.9
718.75635	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	702.472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51028	0.2
54.92305	0.2
55.05516	0.6
55.45388	0.2
56.05034	0.9
57.03445	0.4
57.07085	0.3
58.06604	0.5
58.21638	0.2
60.08159	7.3
63.42328	0.2
67.05495	1.8
69.07071	1.3
70.01672	0.2
71.07373	4.3
71.08638	0.3
71.42366	0.3
79.05484	0.7
79.48438	0.2
80.92944	0.2
81.07062	2.0
83.08611	0.8
86.09699	31.4
87.10040	0.3
89.06049	0.3
91.05485	0.4
93.07057	1.4
93.07574	0.3
95.08599	1.0
98.98464	3.9
104.10732	2.7
107.08588	0.7
109.10162	0.3
121.10160	0.5
124.99996	22.1
135.11725	0.5
142.51199	0.2
149.13248	0.6
159.11700	0.4
175.43915	0.3
184.07326	100.0
185.07690	0.8
195.13924	0.3
266.62369	0.3
269.17438	2.4
311.25748	1.7
505.38876	3.0
512.74115	0.3
535.40674	0.2
585.64630	0.3
702.46912	6.3
703.46301	0.4
717.23773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2969
Annotation	Taccalonolide A
Peak:m/z	Relative Intensity
54.87595	2.2
69.87224	5.4
69.87584	4.8
90.74785	2.3
136.37151	2.4
149.02318	4.3
149.27667	2.3
168.14911	2.7
177.14160	2.4
209.10764	4.4
211.12199	5.3
222.12924	3.9
223.12181	5.9
224.13084	8.3
225.13858	3.8
237.13817	11.0
238.14532	6.3
239.15382	10.8
265.13266	4.8
266.14090	3.9
267.14850	5.5
325.15414	4.8
340.32465	2.9
388.20544	2.9
404.23376	2.7
481.22952	2.9
490.23029	6.6
497.23883	2.7
498.23715	4.3
513.24945	3.7
514.25635	5.1
523.23376	3.8
541.24066	5.8
569.23492	6.5
601.26184	9.6
611.25061	21.0
612.24774	3.4
629.25946	17.9
630.26495	3.7
643.27527	33.4
644.27411	3.8
661.28796	7.4
671.27087	100.0
672.27142	8.6
703.29327	24.4
703.39679	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	703.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04691	1.1
57.09264	1.0
58.54264	1.1
59.97318	1.1
61.96005	1.3
67.05510	1.2
69.74594	1.8
69.74950	3.4
109.78886	1.0
195.09148	1.7
203.05286	1.6
208.09860	1.8
209.10652	7.0
210.11513	2.4
211.12219	1.4
221.10706	1.5
222.11621	3.5
223.08672	1.8
223.12231	8.0
224.13120	4.4
225.06612	1.5
225.13908	4.5
235.12344	3.0
236.13031	1.9
237.10268	4.0
237.13808	15.7
238.14583	7.9
239.08234	4.3
253.13432	3.2
263.08203	2.1
265.13290	9.8
265.15744	1.3
266.14160	3.0
267.07611	5.5
271.37039	1.2
308.51678	1.2
313.11942	2.6
325.15488	5.2
341.11264	8.7
342.45047	1.4
347.09695	1.4
365.10931	1.7
449.20010	1.7
458.17337	1.4
476.18604	1.4
477.19571	2.7
491.20996	1.6
506.35864	1.6
508.20676	2.1
523.23285	4.7
533.21991	1.5
541.33398	14.1
548.23492	2.1
550.22906	1.4
551.22882	4.4
565.24524	3.6
566.25372	3.5
593.24066	9.7
594.23315	1.6
611.24841	4.8
621.23114	2.7
625.24457	3.7
635.24506	1.9
653.25964	100.0
654.26465	8.8
685.28583	11.6
703.38660	68.2
704.38550	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
54.37831	2.0
55.01871	8.6
55.05505	34.2
57.03432	11.0
57.07074	3.6
59.04988	3.1
61.02918	11.1
65.03939	3.1
66.22537	1.9
67.05499	49.1
68.05830	2.5
68.47867	1.9
69.03423	17.0
69.07066	19.4
69.31599	3.4
69.32002	7.0
71.01380	1.9
71.04987	6.0
73.02916	9.8
79.05487	44.1
81.03410	35.8
81.07052	37.1
82.03748	2.4
83.01335	3.7
83.04977	17.2
83.08607	16.9
85.02896	15.9
91.03947	4.0
91.05475	45.7
93.07043	36.4
95.04960	14.5
95.08603	24.5
97.02894	17.5
97.06523	7.5
97.10164	14.9
98.23385	3.1
99.04454	4.1
101.02386	3.3
103.05492	2.6
105.04479	2.5
105.07022	39.1
107.04929	9.1
107.08592	21.8
109.02888	7.5
109.06519	7.7
109.10147	19.1
111.04450	3.9
111.08067	4.8
113.06041	2.0
115.04011	1.7
115.05447	3.4
117.07000	22.3
119.08560	28.2
120.08956	2.4
121.06527	5.0
121.10116	12.0
123.08127	4.3
125.09620	12.4
127.03913	7.5
128.06219	6.0
129.05486	3.1
129.07002	17.8
131.08565	20.6
133.06487	3.6
133.10120	16.7
135.08080	8.0
135.11681	11.9
137.09650	3.5
141.06999	8.4
142.07759	4.7
143.08533	19.4
145.06511	4.6
145.10130	20.4
147.11691	10.2
149.02275	3.1
149.09604	2.8
149.13268	2.4
153.06987	2.2
153.12744	2.0
154.07758	1.8
155.08551	10.9
156.09254	1.9
157.06476	3.1
157.10129	15.0
159.08092	3.4
159.11690	13.3
161.09636	5.7
161.13261	5.4
163.11185	8.2
165.06996	1.9
167.08514	3.5
169.10065	13.0
171.08009	3.9
171.11720	13.2
173.04475	5.4
173.09627	4.2
173.11830	2.8
173.13271	6.0
175.11139	3.6
175.14836	2.6
179.08543	2.5
179.14211	2.4
181.10149	6.3
181.12263	3.9
183.08081	3.1
183.11708	12.7
184.07330	2.5
185.13228	11.8
187.11215	3.6
189.11218	6.2
193.10204	2.3
193.12206	3.4
195.11661	5.4
197.13269	7.1
199.11166	4.4
199.14677	3.9
205.12233	2.1
207.11699	3.6
209.09683	2.1
209.13336	3.9
211.11363	2.1
211.13162	3.5
211.14932	2.7
213.12848	4.1
213.16444	2.1
223.14890	3.1
227.12625	9.0
229.14337	6.4
230.14670	5.0
237.12840	2.1
237.16319	3.1
241.19501	2.8
249.16527	2.2
257.19086	3.1
259.20581	10.3
260.21011	5.1
273.18454	2.3
275.20013	14.8
281.18961	2.4
283.15375	5.5
291.19653	2.7
295.20618	2.3
297.22113	7.9
311.20001	2.2
313.21863	3.9
333.24365	3.5
334.24609	4.8
341.20767	2.3
367.22720	4.5
403.24185	2.0
431.29266	5.5
449.30478	9.3
467.31598	4.6
506.35501	3.9
513.35858	2.8
523.34155	17.4
541.35193	100.0
542.35834	9.7
559.36322	3.1
565.35059	2.8
575.91492	1.9
583.36115	3.7
649.37341	3.4
667.38379	5.2
685.39526	9.8
703.39026	45.7
704.39148	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	704.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05493	0.4
56.59835	0.3
57.03437	2.0
57.09306	0.3
61.02911	0.4
65.03945	0.5
69.03425	1.7
69.07063	0.5
71.04979	1.0
73.02911	3.7
79.05488	0.9
81.03418	4.9
81.07048	0.9
85.02889	2.3
85.30555	0.3
87.04489	0.4
91.05460	2.8
94.04166	1.5
95.04958	1.3
95.08637	0.4
97.02882	1.1
98.23474	0.6
99.04459	0.4
103.05460	7.7
105.07005	1.4
107.04972	1.5
107.08565	0.5
109.06515	0.5
109.10165	0.5
111.04411	0.5
115.03947	1.5
115.05438	1.7
117.06991	1.0
117.24615	0.3
119.04935	3.0
119.08563	0.6
121.06502	0.9
121.10159	0.3
122.03638	4.6
127.04004	0.3
128.06212	0.4
128.07068	0.3
129.05438	0.5
129.06952	1.7
131.04918	12.9
131.08505	0.5
133.02870	0.4
133.04985	0.6
133.06491	1.1
135.08067	0.4
137.05965	100.0
138.06303	1.7
141.06943	0.3
143.04982	1.5
143.08563	0.4
144.05638	0.7
145.06467	0.9
146.03612	0.4
147.04396	4.6
147.08015	0.8
149.05989	1.3
151.03889	3.2
151.07561	1.4
153.01825	0.8
153.05469	0.4
153.06972	0.3
157.06493	1.9
159.08058	0.6
160.05194	2.6
161.05963	4.1
161.09586	0.4
162.06749	0.9
163.07527	25.3
164.08031	0.6
165.09074	0.3
167.07101	0.4
167.08585	0.3
171.08069	0.4
172.05217	0.4
173.05983	0.9
173.09601	0.4
174.06744	0.5
175.07538	19.9
176.07864	0.5
177.05435	1.6
177.09109	0.7
179.07047	2.7
185.05975	0.5
187.05963	0.5
187.07533	6.2
189.07535	0.4
189.09047	2.1
191.07010	1.1
194.07294	0.4
196.11852	0.3
199.07523	2.8
203.06931	0.6
205.06648	0.6
205.08586	12.8
211.07535	1.2
215.06943	0.4
217.08569	1.9
219.08102	0.4
225.08990	0.6
229.08533	2.5
231.08038	0.7
234.06808	0.4
235.07385	0.5
235.09636	5.1
237.09029	0.4
239.10760	0.4
241.08635	0.5
247.07405	0.4
251.17871	0.6
259.09622	1.1
261.09061	0.4
265.08542	0.6
267.10043	1.3
283.09662	0.5
285.11124	0.4
291.10086	0.6
295.09558	0.5
297.11142	0.6
305.11807	0.4
307.09824	0.3
311.12152	0.5
315.12378	0.7
321.11029	0.5
323.12799	1.0
335.12665	1.2
347.12872	0.7
349.14243	0.4
353.13779	0.9
357.13342	0.6
365.13791	2.8
395.14865	0.8
397.30942	1.1
415.41989	0.3
448.15482	0.5
471.18216	0.4
487.17560	1.8
489.18347	0.5
501.18979	1.0
519.19861	2.0
537.51074	0.4
540.50800	0.3
548.47150	0.3
703.49670	0.7
704.37091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
53.45665	1.3
53.87376	1.2
55.05500	4.3
56.46420	1.0
56.94873	1.5
57.03425	4.5
58.01089	1.1
58.55608	1.3
59.13076	1.4
59.70024	1.2
60.59076	1.3
67.05489	1.9
69.03415	8.1
75.04478	10.2
79.05489	20.8
81.03413	12.3
81.07051	6.4
85.02901	6.3
87.04470	1.4
91.05469	15.1
93.07036	98.9
94.07352	1.9
95.04958	7.4
95.08587	4.3
97.02875	6.0
99.04417	2.7
105.04527	2.7
105.07002	10.2
107.08591	17.1
109.02873	2.9
109.06490	2.3
110.20129	1.6
111.04446	2.0
111.08064	6.4
112.01344	1.4
116.67341	1.4
119.05016	1.2
119.08566	10.7
121.06483	2.4
121.10133	100.0
122.15717	1.3
123.11703	2.3
125.06017	2.0
127.03906	4.3
129.06924	1.6
131.04927	1.8
131.08540	4.8
137.05966	30.2
139.11180	4.5
143.04904	2.1
145.04944	3.4
145.77525	1.6
149.09598	21.6
160.05156	3.2
167.10658	31.6
175.07516	16.1
187.07500	8.0
189.09038	1.7
201.09119	1.8
205.08607	5.1
235.09702	3.0
253.41942	1.5
270.08734	1.5
290.23474	1.4
293.13742	7.2
311.14899	12.7
323.12671	1.8
394.96576	1.7
498.51288	1.4
585.48010	1.3
704.35516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72163	2.1
53.03941	7.8
54.09752	1.9
55.01863	10.0
55.05502	41.5
57.03431	26.0
59.05000	3.6
61.02931	10.3
65.03926	4.9
67.05498	83.4
68.05827	2.4
69.03428	15.4
69.07053	19.5
69.68819	2.1
71.01335	2.5
71.04986	8.4
73.02901	3.1
79.05484	67.4
81.03410	91.5
81.07045	72.2
83.04511	4.0
83.04969	31.3
83.08612	38.6
85.02898	41.2
85.06542	3.8
91.03920	2.4
91.05473	66.3
93.07032	52.4
94.04179	2.3
95.04955	58.9
95.05525	4.6
95.08599	29.0
97.02858	11.1
97.06521	7.9
97.10168	18.0
99.08072	2.3
101.57330	2.1
105.04520	3.4
105.07024	38.9
107.04936	23.5
107.08578	24.6
109.06524	12.3
109.10140	26.2
111.04436	4.7
111.08080	16.7
113.05978	3.5
115.05411	2.2
117.06991	17.1
119.08568	35.3
121.06494	12.8
121.10123	15.9
123.08100	7.1
123.11709	4.2
125.09621	17.0
129.07005	14.7
131.08546	26.8
133.06499	3.0
133.10110	19.5
135.08037	8.1
135.11681	8.7
137.09663	3.9
141.06987	2.6
142.07791	4.8
143.08548	5.1
145.10086	11.8
147.08075	4.8
147.10536	3.2
147.11653	22.9
149.09633	10.4
149.13254	2.3
157.10129	18.3
159.11664	14.1
161.09596	3.2
162.71684	2.1
163.11194	6.2
165.12749	4.4
169.10173	3.9
173.11780	5.2
175.11186	16.2
177.12727	6.2
184.07330	6.4
187.11137	6.9
189.11192	14.1
193.12221	60.3
194.12547	2.4
205.12222	11.0
207.13609	2.3
211.13274	99.4
223.13264	70.3
224.13652	3.1
227.12692	19.0
229.14362	10.4
260.68997	2.6
265.12125	2.2
267.15851	38.6
279.15817	10.0
281.17444	4.2
283.15298	11.4
285.16934	81.6
297.16922	83.0
297.20285	4.2
375.45959	2.3
383.21521	2.3
383.77240	2.0
421.25705	6.7
423.27304	2.3
439.26849	27.1
440.27341	2.5
471.27124	5.7
475.27100	5.2
489.28360	35.9
493.27768	12.0
507.29514	100.0
508.30008	3.6
525.30621	2.4
579.35968	2.4
704.33160	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72163	2.1
53.03941	7.8
54.09752	1.9
55.01863	10.0
55.05502	41.5
57.03431	26.0
59.05000	3.6
61.02931	10.3
65.03926	4.9
67.05498	83.4
68.05827	2.4
69.03428	15.4
69.07053	19.5
69.68819	2.1
71.01335	2.5
71.04986	8.4
73.02901	3.1
79.05484	67.4
81.03410	91.5
81.07045	72.2
83.04511	4.0
83.04969	31.3
83.08612	38.6
85.02898	41.2
85.06542	3.8
91.03920	2.4
91.05473	66.3
93.07032	52.4
94.04179	2.3
95.04955	58.9
95.05525	4.6
95.08599	29.0
97.02858	11.1
97.06521	7.9
97.10168	18.0
99.08072	2.3
101.57330	2.1
105.04520	3.4
105.07024	38.9
107.04936	23.5
107.08578	24.6
109.06524	12.3
109.10140	26.2
111.04436	4.7
111.08080	16.7
113.05978	3.5
115.05411	2.2
117.06991	17.1
119.08568	35.3
121.06494	12.8
121.10123	15.9
123.08100	7.1
123.11709	4.2
125.09621	17.0
129.07005	14.7
131.08546	26.8
133.06499	3.0
133.10110	19.5
135.08037	8.1
135.11681	8.7
137.09663	3.9
141.06987	2.6
142.07791	4.8
143.08548	5.1
145.10086	11.8
147.08075	4.8
147.10536	3.2
147.11653	22.9
149.09633	10.4
149.13254	2.3
157.10129	18.3
159.11664	14.1
161.09596	3.2
162.71684	2.1
163.11194	6.2
165.12749	4.4
169.10173	3.9
173.11780	5.2
175.11186	16.2
177.12727	6.2
184.07330	6.4
187.11137	6.9
189.11192	14.1
193.12221	60.3
194.12547	2.4
205.12222	11.0
207.13609	2.3
211.13274	99.4
223.13264	70.3
224.13652	3.1
227.12692	19.0
229.14362	10.4
260.68997	2.6
265.12125	2.2
267.15851	38.6
279.15817	10.0
281.17444	4.2
283.15298	11.4
285.16934	81.6
297.16922	83.0
297.20285	4.2
375.45959	2.3
383.21521	2.3
383.77240	2.0
421.25705	6.7
423.27304	2.3
439.26849	27.1
440.27341	2.5
471.27124	5.7
475.27100	5.2
489.28360	35.9
493.27768	12.0
507.29514	100.0
508.30008	3.6
525.30621	2.4
579.35968	2.4
704.33160	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17326	1.2
51.02372	1.3
51.62143	1.4
53.01966	1.4
53.03939	5.9
55.01874	11.0
55.05502	25.0
57.03435	17.1
57.07077	2.9
59.04988	1.9
61.02918	4.6
65.03932	3.5
67.05498	60.3
68.05820	1.6
69.03426	6.4
69.07059	14.3
71.04992	4.4
71.82825	1.3
73.02935	3.4
73.06541	1.7
76.86981	1.6
77.03890	3.3
79.05486	84.1
81.03410	20.6
81.07050	48.4
82.04200	4.8
83.04971	19.6
83.08621	10.6
85.02908	4.2
85.06559	2.3
86.09721	2.5
91.05471	66.2
93.07034	71.3
94.04228	1.8
95.04961	34.7
95.08596	25.8
97.02882	4.3
97.06516	7.4
97.10123	9.5
98.07320	4.7
99.04417	2.4
99.08073	1.7
101.06004	1.6
105.04520	5.0
105.07018	43.5
107.04922	12.5
107.05502	1.3
107.08572	23.7
109.02911	1.5
109.06556	8.9
109.10135	8.6
111.04444	1.9
111.08080	4.0
116.04704	8.4
116.58701	1.7
117.07004	13.3
119.08572	26.8
121.06499	4.9
121.10145	8.0
123.08053	10.9
125.00007	2.7
125.09637	8.7
125.51627	1.7
127.07545	2.0
127.11125	1.4
128.06161	2.2
129.05482	18.8
129.06975	19.0
131.08556	7.9
133.06474	2.3
133.10110	13.6
135.08072	4.1
135.11649	8.2
137.09621	3.8
141.09053	1.5
143.06961	2.6
143.08562	6.5
145.10133	13.8
147.08044	4.9
147.11665	37.1
149.09563	1.7
153.12733	2.1
155.08775	1.8
157.08591	8.5
157.10042	3.3
159.08191	1.3
159.11662	2.4
161.09673	5.0
161.13252	10.8
163.11116	7.5
171.06508	1.5
171.10202	4.0
171.11638	26.3
173.11765	1.8
175.11180	3.4
179.14244	1.7
181.12210	3.4
184.07272	10.3
187.11200	1.8
189.11197	5.0
189.12756	8.8
191.10666	4.2
193.12152	1.6
199.13289	6.9
207.13766	31.3
209.11772	5.8
211.13301	2.3
225.14774	2.1
227.12689	11.1
255.15962	2.7
265.14444	2.2
267.15903	5.8
281.17441	73.0
282.17706	2.5
283.15451	7.4
301.16400	33.9
335.18518	3.9
358.21716	1.6
382.56915	1.5
411.21072	1.6
423.27136	2.4
435.27371	9.6
471.27060	1.6
473.28952	6.6
489.28024	9.5
490.29129	5.3
507.29474	100.0
508.29694	6.1
511.33237	1.7
704.40460	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01865	1.8
55.05509	12.2
57.03435	4.7
57.07073	2.2
59.05004	0.9
61.02922	1.7
65.03931	2.5
67.05501	44.7
68.60542	0.6
69.03426	2.1
69.07063	9.6
70.06583	2.6
71.04984	14.1
71.06895	0.5
71.41469	0.8
73.06565	1.3
79.05489	41.8
81.03414	6.8
81.07050	56.0
82.07390	1.3
83.04975	6.5
83.08614	6.1
85.02894	1.8
85.06529	5.4
86.09727	1.1
88.07618	2.6
91.05473	34.2
93.07038	35.1
94.07404	0.7
95.04963	14.0
95.08599	15.9
96.08905	0.6
97.02900	2.2
97.06516	5.7
97.10159	3.0
99.04446	0.7
99.08067	1.4
102.09178	1.6
103.05482	0.7
105.04508	2.1
105.07024	25.0
107.04953	3.5
107.08588	15.9
109.02902	0.7
109.06516	4.3
109.10129	5.8
111.08114	2.8
117.07010	7.1
119.08569	13.3
121.06514	2.0
121.10119	5.7
123.08041	3.0
123.11694	6.6
124.99999	0.9
125.09624	1.5
127.03851	0.9
127.07576	0.6
128.06189	1.1
129.06998	8.7
129.07886	1.1
131.08549	4.4
133.10112	12.5
133.11014	0.9
135.08070	1.4
135.11684	4.0
143.08549	4.6
145.10124	4.5
147.08046	1.5
147.11671	16.1
148.11938	0.8
149.02339	5.9
149.09589	0.8
149.13258	4.4
150.02678	2.4
150.03766	0.9
151.11163	3.9
157.10143	0.8
159.11674	3.3
161.09671	2.2
161.13237	5.6
163.11229	0.8
171.11668	9.3
173.04501	1.0
177.12730	1.0
179.14282	0.7
183.13737	1.2
184.07358	4.9
187.13293	1.8
189.12712	3.0
193.04935	3.3
193.12309	0.6
194.05304	1.9
195.13802	1.4
207.13802	9.2
225.14882	2.6
251.16365	0.8
256.26422	2.6
257.17429	0.9
257.26682	2.1
258.27045	0.7
269.17532	4.2
281.17487	13.4
301.20099	7.1
386.09735	0.8
404.10190	1.1
430.11945	1.5
431.12283	1.2
449.28937	26.7
450.29416	1.2
457.29233	1.1
463.30423	4.2
466.67139	0.6
475.30511	100.0
476.30740	6.1
507.33191	19.6
508.33383	1.3
542.35242	2.9
619.34149	0.8
651.37445	2.3
704.39093	15.5
705.39886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
58.06588	0.3
59.07367	0.2
60.07867	0.3
60.08158	5.5
67.05494	0.2
69.12659	0.4
69.13073	0.7
71.07364	2.8
71.08611	0.2
71.72850	0.1
74.62089	0.1
79.05434	0.1
81.03434	0.2
81.07041	0.4
86.09699	26.9
89.06014	0.5
89.88165	0.1
91.05473	0.2
93.07017	0.2
95.08614	0.1
98.98455	2.2
104.10740	2.9
107.08604	0.2
109.10138	0.2
124.99994	16.3
133.08632	0.3
135.11656	0.2
143.01013	0.2
163.11212	0.2
183.34515	0.2
184.07323	100.0
185.07689	1.0
301.11926	0.1
362.38187	0.2
394.24271	0.2
496.33810	0.2
573.04163	0.2
704.44879	12.3
705.44934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09976	0.1
55.05493	0.2
56.05033	0.7
57.03428	0.1
57.07053	0.3
58.06619	0.5
59.07391	0.2
60.08157	7.0
67.05495	0.6
69.07047	0.3
69.98788	0.2
69.99113	0.1
70.06602	0.1
71.07365	3.7
71.08624	0.2
79.05467	0.2
81.03377	0.1
81.07050	0.4
83.08611	0.2
86.09695	33.2
87.10035	0.3
89.06019	0.3
91.05482	0.3
93.07034	0.3
95.08600	0.4
98.98453	3.6
104.10725	2.5
105.07033	0.2
107.08596	0.3
109.10136	0.5
119.08594	0.2
119.38365	0.1
121.10136	0.1
124.99987	23.1
133.08606	0.1
133.10139	0.4
136.49556	0.1
143.01045	0.3
149.73894	0.1
150.32759	0.1
151.11179	0.2
184.07317	100.0
185.07683	0.9
253.14320	1.3
271.15421	0.3
311.25909	0.4
496.34167	0.3
507.36908	0.3
521.38129	0.1
704.44885	4.1
705.44952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27009	0.6
53.03936	0.9
55.01859	1.3
55.05505	5.3
57.03431	2.2
61.02917	3.4
65.34441	0.6
67.05495	8.9
69.03437	3.3
69.07063	2.7
70.00471	2.0
71.04985	1.3
73.02901	2.5
79.05493	7.2
79.40993	0.7
81.03409	6.2
81.07047	10.4
83.04996	2.2
83.08611	3.0
85.02883	3.3
91.03945	2.7
91.05476	7.9
93.07027	6.1
95.04958	3.1
95.08591	5.3
97.02892	3.4
97.06537	1.2
97.10134	3.4
98.22760	0.7
99.08114	0.7
105.07021	6.1
107.04924	0.9
107.08584	4.8
109.06516	1.0
109.10110	3.5
117.07024	3.1
119.08559	5.7
121.06549	0.8
121.10139	2.6
123.08119	0.7
125.09625	1.8
127.03893	1.4
128.06206	1.1
129.06987	2.6
131.08580	5.2
133.10133	3.0
135.08095	1.3
135.11723	1.3
137.09685	0.8
141.06966	0.9
143.08546	3.9
145.06569	1.1
145.10083	4.5
147.08057	0.9
147.11682	2.9
149.13231	0.8
155.08583	2.3
157.10127	3.3
159.08101	0.9
159.11696	2.6
163.11243	1.0
167.08566	2.0
169.10120	1.5
171.08113	1.2
171.11755	3.1
171.45799	0.7
173.13306	1.7
175.11156	1.4
181.10115	1.8
183.11708	2.6
184.07341	0.9
185.09554	0.8
185.13234	2.0
191.10681	0.9
193.12256	1.6
195.11739	1.7
197.13202	1.5
199.11166	0.9
199.14864	0.9
201.12750	0.7
209.13313	1.5
211.13245	1.7
223.14836	0.9
227.12794	2.0
229.03731	0.8
259.20544	1.7
267.15909	1.5
281.10626	0.8
297.21991	0.7
299.23767	1.9
333.24585	1.0
341.24408	0.7
421.25809	1.0
433.31033	2.4
435.27612	1.2
451.32089	2.3
469.33185	1.3
481.18411	1.7
499.18323	1.7
525.35779	7.8
543.36755	35.8
544.37048	1.7
585.37762	0.9
669.39795	1.5
687.40601	1.8
705.32214	100.0
705.41028	5.1
706.32532	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	705.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01876	1.0
55.05508	5.5
57.03436	3.6
59.04978	0.7
61.02916	5.3
65.03902	0.7
67.05162	0.9
67.05498	14.0
69.03435	4.6
69.07052	3.9
71.01337	0.8
71.04993	1.6
73.02900	3.9
79.05485	12.2
81.03407	9.0
81.07050	10.9
82.07365	0.7
83.04980	3.2
83.08621	3.5
85.02893	6.7
85.06532	0.9
91.03972	3.8
91.05473	10.0
93.07039	11.0
95.04960	7.0
95.08593	6.7
97.02887	5.9
97.06529	1.9
97.10149	2.6
99.04445	1.1
101.02378	2.2
105.07024	9.1
107.04952	2.1
107.08578	4.8
109.02895	1.3
109.06519	1.8
109.10145	2.7
111.04502	0.8
111.08064	1.2
111.67068	0.7
113.06000	2.2
117.07007	3.7
119.08553	5.6
121.06486	2.5
121.10149	2.7
123.08041	1.1
123.11698	0.8
125.09619	2.3
127.03922	1.5
129.07011	2.5
131.08557	4.2
133.06418	0.9
133.10123	3.2
135.08043	0.8
135.11691	2.1
137.09579	1.1
141.06952	1.0
142.99400	0.7
143.08571	1.4
143.96741	0.6
145.06471	1.0
145.10092	3.4
147.08064	1.0
147.11652	3.6
149.13239	1.3
155.08571	1.7
157.10089	2.2
159.07906	0.7
159.11700	2.3
161.13245	1.0
163.11150	1.0
169.10089	0.7
171.11703	2.2
183.11591	1.1
184.07285	1.1
185.13197	1.0
193.12228	1.9
195.11769	0.8
197.13228	0.8
207.13860	1.3
211.13271	1.0
223.13266	1.0
227.12718	1.1
243.08453	2.0
247.13005	0.8
267.15976	1.5
269.17398	0.8
275.20050	1.8
313.33765	0.7
385.23761	1.0
421.25980	1.4
433.30905	1.2
451.32172	1.1
459.27258	1.3
465.21133	3.9
469.32895	1.0
476.31192	2.0
481.20251	5.2
525.35822	3.3
543.36859	11.6
544.37433	0.8
666.83313	0.7
669.38861	0.9
687.41321	1.4
705.34283	100.0
706.34705	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	705.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01878	1.0
55.05503	2.4
57.03433	1.8
61.02922	4.8
62.91618	0.3
66.73679	0.4
67.05500	10.2
67.44897	0.4
69.03429	2.8
69.07058	3.5
71.01374	0.4
71.04996	1.0
71.41467	0.4
73.02911	3.0
77.13075	0.4
79.05486	3.7
81.03405	3.0
81.07043	5.0
81.07429	0.4
83.01342	0.4
83.04986	1.4
83.08617	1.4
85.02079	0.4
85.02895	3.9
91.03945	2.8
91.05472	4.9
91.05985	0.5
93.07034	4.6
93.48722	0.4
95.01318	0.9
95.04980	1.6
95.08595	3.3
97.02881	3.7
97.06548	1.4
99.04472	0.6
101.02388	1.2
105.07016	4.9
107.04955	1.9
107.08597	2.1
109.02904	1.1
109.06532	0.6
109.10146	8.0
111.08109	0.8
117.07020	1.2
119.08575	3.1
121.10159	1.2
123.08083	0.6
127.03917	1.1
129.07040	0.5
131.08582	1.8
133.10127	2.4
135.08061	0.5
135.11690	1.0
137.09648	0.6
145.10126	2.0
147.11690	1.2
149.09621	0.6
159.11713	1.6
171.11678	0.5
173.11790	1.6
175.14888	0.4
177.12781	0.6
179.14328	1.0
184.07286	0.4
185.04324	0.5
195.09932	0.6
229.14481	0.4
243.08322	2.7
244.68741	0.5
275.19839	1.9
315.19299	3.4
318.68512	0.4
325.68823	0.4
349.23730	0.6
353.28043	0.4
371.21884	0.7
413.17764	7.5
533.27118	7.5
534.27899	0.6
543.36365	1.3
687.40369	0.6
705.38092	100.0
706.38452	7.7
732.33276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4024
Annotation	Voacamidine
Peak:m/z	Relative Intensity
67.05497	0.5
86.09709	0.4
87.04450	0.4
98.23344	1.5
111.54102	0.4
143.97591	0.4
182.69965	0.4
184.07391	1.8
185.04221	0.9
203.05418	0.4
255.47061	0.4
259.07828	0.5
347.09607	1.0
350.12454	0.4
366.01202	0.4
527.69287	0.4
543.34998	22.3
544.35590	1.3
705.40210	100.0
706.40448	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	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01871	3.6
55.05509	16.2
57.03431	6.1
59.04987	1.1
61.02924	10.6
65.03944	1.9
67.05502	28.2
67.72957	1.0
69.03423	8.9
69.07073	7.3
71.04986	3.4
72.56940	1.0
73.02913	5.9
77.79518	0.8
79.05488	20.6
81.03413	19.4
81.07058	20.9
83.04978	5.4
83.08617	7.3
85.02899	10.4
91.03937	5.0
91.05476	18.9
93.07045	16.0
95.04976	10.4
95.08603	12.1
97.02884	9.2
97.06513	2.6
97.10164	8.9
98.23562	1.8
99.08091	1.5
101.02392	1.8
103.05431	1.0
105.07019	15.8
107.04972	1.5
107.08580	11.7
109.02884	3.0
109.06510	3.9
109.10171	7.3
111.04450	3.1
111.08090	3.2
113.99937	0.9
115.05460	1.6
117.07011	12.1
119.08572	13.0
121.06517	4.1
121.10140	7.0
123.08089	2.1
123.11705	2.7
125.09636	6.0
127.03881	2.1
128.06181	2.8
129.05519	1.1
129.06995	9.4
131.08569	13.5
133.06482	2.1
133.10104	9.2
135.08075	3.4
135.11667	4.8
137.13268	1.0
141.07004	4.3
142.07759	1.7
143.08534	10.2
145.06458	2.4
145.10110	12.1
147.08015	2.3
147.11670	7.8
149.09644	3.2
149.13275	1.5
153.07118	1.0
155.06003	1.0
155.08525	6.1
157.10101	8.7
159.08052	2.8
159.11638	8.0
161.09639	1.5
161.13263	3.4
163.11188	3.2
167.08586	2.2
168.09366	1.5
169.10109	6.0
171.08052	2.8
171.11696	7.1
173.04492	1.4
173.09612	2.4
173.11879	1.7
173.13147	5.7
175.11211	3.4
175.14764	1.3
181.10104	3.0
183.11676	5.5
184.07344	1.1
185.09608	2.0
185.13297	5.0
187.11150	1.4
187.14857	1.6
189.11221	2.4
191.10674	1.0
193.10164	2.0
193.12271	4.6
195.11752	3.7
197.09720	1.2
197.13255	3.9
199.11163	2.1
199.14873	3.4
201.12688	1.3
207.11745	1.8
209.13327	2.4
211.11484	1.5
211.13339	5.8
211.15073	1.4
213.12787	1.4
213.16382	1.1
221.13268	1.6
223.14801	2.3
225.12833	1.4
225.16396	1.3
227.10703	1.0
227.12563	4.6
229.14160	1.8
241.19568	1.4
243.15967	1.2
257.19009	1.2
259.20566	4.0
260.20834	1.4
267.15942	3.3
275.20325	1.1
283.20575	1.6
285.16824	1.7
297.22107	1.5
299.20200	2.6
299.23715	3.5
313.21655	1.3
317.21457	1.3
325.21631	1.8
333.24329	2.6
337.21909	1.1
357.24295	1.5
367.22659	1.5
403.25043	1.5
421.25699	1.9
423.70624	1.1
433.30954	4.5
435.27502	2.9
451.31750	7.6
469.33191	2.8
481.18518	1.2
499.18176	1.9
515.37323	1.1
525.35675	17.6
526.35693	1.3
539.38544	1.1
541.35138	1.2
543.36749	88.1
544.37115	6.8
585.37726	2.8
609.38007	1.3
633.37494	1.5
651.39093	4.6
669.39789	3.4
687.40863	5.7
705.32123	100.0
705.41986	9.5
706.32526	12.6
706.43097	1.5
709.89697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91731	1.2
55.01864	2.2
55.19815	1.3
56.63594	1.3
57.03426	4.7
57.16418	1.3
65.03940	1.7
69.03419	4.0
69.15289	9.4
72.44765	1.3
72.84261	1.3
73.02905	9.1
77.03919	1.5
79.05492	3.7
81.07036	1.7
85.02881	6.6
91.05467	16.9
93.07036	2.8
94.04195	2.5
95.04962	7.7
95.08579	1.6
97.02895	2.9
98.22652	2.7
99.21093	1.4
103.05465	15.7
105.07034	5.9
107.04945	9.1
107.08627	1.5
109.06495	1.8
115.03936	3.3
115.05455	4.4
117.06992	2.9
119.04920	14.0
121.06506	8.8
122.03646	6.1
123.04391	1.8
128.06198	3.3
129.06978	7.4
131.04915	25.4
131.08559	3.0
133.02872	4.9
133.04947	2.4
133.06494	5.1
135.04388	2.6
135.08060	2.5
137.05965	100.0
138.06296	1.6
141.07040	2.9
143.04924	2.1
145.06520	5.2
146.07256	3.4
147.04402	12.1
147.08041	2.2
148.05185	2.9
149.05954	8.5
151.03889	4.0
151.07530	32.5
153.01865	3.2
157.06525	5.7
158.07310	2.1
159.08055	3.4
159.14186	1.6
160.05226	2.5
161.05966	61.9
161.09608	12.9
162.06677	4.6
163.07529	42.0
165.07007	2.7
165.09071	3.4
167.07062	4.2
167.08443	1.6
169.06493	1.5
173.05893	2.3
174.06784	8.9
175.07530	25.2
177.05493	3.4
177.06941	1.9
177.07602	2.0
177.09070	17.8
178.07806	1.6
179.07021	7.5
181.06505	3.1
182.07257	1.8
187.07545	4.3
189.09091	36.8
190.07875	1.9
191.07130	2.6
191.08606	4.5
191.10602	2.0
193.06496	3.2
193.09996	1.5
194.07242	3.4
195.08098	7.1
195.10184	11.1
199.07568	2.5
201.09142	4.2
205.06564	2.3
207.08266	3.2
207.10124	28.8
208.08813	1.9
209.05913	3.3
209.09749	1.9
210.06790	2.5
211.07535	3.6
212.08209	1.9
213.09169	1.7
219.08067	11.8
219.10101	57.2
221.05998	5.2
221.09677	2.2
222.06758	3.3
223.07504	6.7
223.11136	2.5
224.08446	2.0
225.09070	6.5
227.07008	1.9
227.10727	4.1
231.08183	1.7
233.06001	1.9
234.06778	3.4
235.07524	3.5
235.97375	1.6
236.08440	2.2
237.09160	8.2
239.07071	4.9
240.07838	3.0
241.08641	3.8
247.07524	5.6
248.08311	3.9
249.05484	1.8
249.09103	3.2
251.07014	5.8
251.10657	7.0
252.07990	3.0
253.08582	15.1
253.11046	1.7
253.12318	1.8
254.09375	1.7
255.06451	5.9
255.10196	4.9
261.09070	3.2
264.07715	2.9
265.08609	17.6
266.09375	2.9
267.10217	5.5
268.10593	1.5
269.08121	4.5
269.11697	3.8
270.08975	4.5
277.08652	4.1
279.10101	11.5
280.10928	2.4
281.08212	2.9
281.11505	2.9
283.09641	11.8
283.13037	2.8
284.10425	1.7
285.11090	9.4
287.12805	4.5
291.10196	2.5
295.09668	3.6
296.10449	6.7
297.11209	36.6
299.12793	4.1
309.11267	6.1
311.12784	16.2
313.14285	5.3
315.12259	7.2
317.13867	2.2
323.12738	5.6
325.14307	2.0
327.12097	3.4
329.13852	42.7
330.14301	2.6
331.15359	13.7
337.14474	8.6
341.13794	5.3
349.14310	2.1
353.14188	1.4
355.15384	37.0
367.15372	17.1
461.19373	9.2
473.19705	2.1
479.20517	15.7
491.20621	5.4
509.21655	17.0
521.21985	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05505	1.0
57.03432	1.2
67.05485	1.0
67.19798	0.6
69.03419	1.4
69.07082	0.6
72.16181	0.6
73.74234	0.6
75.04466	1.2
79.05491	3.4
81.03413	2.2
81.07043	2.3
85.02898	0.9
91.05474	4.9
92.40716	0.6
93.07038	15.5
94.04162	1.1
95.04965	2.0
95.08541	1.5
97.02888	0.9
98.98947	0.7
103.05462	7.9
105.07024	3.1
106.62230	0.6
107.04920	1.2
107.08579	2.0
109.06438	0.7
109.10133	1.8
111.08095	1.6
111.34758	0.6
115.05441	1.5
117.07011	2.5
119.04910	0.8
119.08566	2.3
121.06493	1.5
121.10132	13.4
122.03651	2.2
123.08103	1.1
125.73235	0.6
125.74529	0.7
128.06177	0.8
130.43263	0.7
131.04926	16.7
131.08554	1.5
133.06473	1.6
135.08058	0.9
137.05966	26.0
143.08557	1.3
145.06427	1.3
147.04314	0.6
149.05936	1.0
149.09602	4.1
151.07524	8.8
157.06479	0.9
161.05994	3.8
162.06754	2.6
163.07529	39.8
167.07010	1.7
167.08351	0.8
167.10661	2.2
171.08058	1.3
174.06668	0.7
175.07562	4.5
177.09093	100.0
178.09430	2.2
189.09077	1.8
191.10661	0.9
193.08563	0.8
195.08340	0.7
195.10091	3.8
201.09113	1.0
203.10683	1.6
209.08069	2.0
214.25549	0.6
219.10117	1.7
221.11711	19.6
250.70653	0.7
255.10077	0.9
265.08710	1.4
278.09128	0.9
281.43054	0.7
287.12912	0.7
297.10992	0.8
297.14847	0.9
311.12146	3.1
313.14294	1.5
331.15302	1.8
339.15878	0.8
343.15424	3.9
345.16763	0.9
355.15347	0.7
361.69644	0.7
478.31976	0.8
479.24298	0.9
491.24146	0.9
587.26172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.00292	2.6
53.03941	2.3
55.01867	3.4
55.05257	1.3
55.05508	18.1
57.03434	12.5
59.04998	2.0
61.02917	3.4
65.03936	1.8
67.05496	19.5
67.05859	1.0
69.03421	4.2
69.07056	5.7
71.01362	1.6
71.04984	3.4
72.83675	0.7
73.02914	2.2
76.44785	0.7
79.05489	19.3
81.03410	44.2
81.07047	26.2
83.04964	10.9
83.08611	22.5
85.02894	17.0
85.06541	1.7
91.03951	1.6
91.05473	33.2
93.07031	19.5
95.04958	20.9
95.08590	7.4
97.02870	6.5
97.06537	4.1
97.10163	2.8
99.00805	13.8
99.04434	0.8
103.05509	0.8
105.04507	0.9
105.07020	20.1
107.04948	8.3
107.08587	9.1
109.02871	8.7
109.06512	4.0
109.10130	3.7
111.04440	2.7
111.08079	9.1
113.06011	1.8
115.03890	1.0
115.05457	1.6
117.07024	3.0
119.04946	1.2
119.08570	16.2
120.08899	0.8
121.06507	7.2
121.10127	6.2
123.04420	2.6
123.08068	2.8
123.11706	1.8
125.06033	0.8
125.09611	1.5
127.03912	3.5
129.07005	5.7
131.08559	7.9
133.06477	2.6
133.10117	34.1
135.08067	1.3
135.11688	2.1
137.05946	1.3
137.09644	1.9
139.07553	2.9
142.07822	2.0
143.08522	3.7
145.10138	2.5
147.08038	3.0
147.11682	9.6
149.09616	4.2
151.11171	8.5
157.10126	7.3
161.09595	14.9
163.11218	2.4
165.12694	1.7
166.34091	0.7
171.08058	3.4
175.11154	7.6
179.10649	6.4
189.09085	6.3
193.12225	28.6
197.11761	2.3
207.10226	2.5
211.13269	44.9
219.13853	1.1
225.11165	9.8
227.12749	1.3
243.12318	3.3
267.15869	14.8
281.13828	5.1
283.15442	3.2
285.16928	38.9
286.17371	1.6
299.14871	66.6
300.15314	2.1
308.85101	0.9
445.25699	1.6
455.25354	0.9
473.25299	2.9
491.26361	15.0
491.42789	0.8
492.26520	1.1
509.27417	100.0
510.27640	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	706.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01865	20.1
55.05506	34.2
57.03432	25.6
57.07066	2.1
59.04990	3.9
61.02919	8.2
62.06060	1.3
65.03937	1.8
67.05497	34.9
69.03429	8.0
69.07059	9.4
71.01370	1.9
71.01723	1.8
71.04986	5.6
73.02919	4.6
79.05486	42.1
81.03409	37.5
81.07050	30.1
82.04194	4.5
82.07366	1.3
83.01351	7.3
83.04478	1.3
83.04966	21.2
83.08609	18.2
84.02111	1.8
84.05751	1.5
85.02899	12.2
85.06563	3.0
86.09730	1.8
87.04474	1.3
91.03963	2.7
91.05470	31.3
92.05807	2.3
93.07034	40.9
95.04963	27.9
95.08590	13.5
97.02872	9.0
97.06519	9.9
97.10163	15.2
98.07302	5.5
99.04449	3.4
99.08079	1.8
103.03918	1.1
105.04514	2.1
105.07027	21.2
107.04939	14.5
107.08582	20.4
109.06522	10.9
109.10130	10.6
110.91295	1.2
111.04437	4.8
111.08067	7.0
113.06027	1.6
115.05420	1.6
116.04720	10.0
117.06982	11.3
119.08562	17.3
121.06492	5.9
121.10132	11.5
123.04400	2.0
123.08052	14.5
124.99992	1.3
125.05982	3.1
125.09628	18.7
127.03967	1.1
129.05466	25.8
129.06952	6.3
130.07800	2.1
131.08536	8.8
133.06488	1.2
133.10095	8.1
135.08054	4.8
135.11685	15.2
137.09622	4.1
143.06996	7.1
143.08627	2.2
143.10689	1.2
145.06473	1.5
145.10094	19.3
145.11057	1.6
147.08049	4.3
147.11703	6.5
147.12697	1.1
149.09625	4.7
153.09137	1.7
153.12775	3.9
155.08556	1.5
157.08618	12.9
157.10152	3.7
158.05745	1.4
163.11159	27.7
163.12422	1.7
171.06578	1.7
171.10173	3.9
171.11635	2.5
173.09628	5.3
173.11752	2.7
175.11176	4.0
181.12167	6.5
184.07277	5.6
185.11742	1.9
189.11269	6.7
191.10692	4.8
191.50124	1.3
193.12230	8.6
199.13255	7.6
200.14043	2.2
201.14890	3.2
207.10239	1.3
207.13831	1.8
209.11717	11.2
210.12480	2.7
211.13185	5.4
214.25136	1.2
218.90733	1.2
227.12737	16.3
229.14395	2.2
255.15926	2.9
267.15903	17.5
268.16318	1.4
281.17474	5.1
283.15369	100.0
284.15887	4.3
285.16873	2.8
297.16898	2.5
301.16415	76.0
302.17099	1.9
337.16473	3.4
382.34048	1.3
383.22137	2.2
425.25159	1.5
436.24619	1.8
437.25433	7.0
451.26743	1.5
457.25790	3.1
473.28958	19.9
474.26505	1.8
475.26837	10.1
477.28561	1.8
491.25790	6.7
492.26999	4.6
493.27652	1.7
509.27380	94.3
510.27762	3.5
527.27753	1.4
723.63544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
54.23813	0.6
55.01863	3.9
55.05505	15.8
57.03433	13.8
57.07083	0.6
61.02907	1.5
65.03944	1.3
65.20724	0.5
66.42123	0.5
67.05497	19.8
67.30132	0.6
69.03421	4.5
69.07051	6.3
69.84396	1.8
69.84776	1.1
71.01335	0.7
71.05003	3.4
73.59848	0.5
79.05487	20.5
80.05011	0.8
81.03409	90.5
81.07050	22.0
82.03748	0.6
83.04967	10.7
83.08611	23.7
85.02898	13.9
85.06533	1.3
91.03960	0.8
91.05470	27.3
93.07031	16.7
95.04958	29.7
95.08594	9.3
95.39091	0.6
97.02875	4.3
97.06521	3.0
97.10162	6.9
98.23400	0.9
99.00822	0.7
99.08110	0.7
103.05469	0.7
105.07019	20.2
105.54060	0.6
107.04934	9.5
107.08585	9.6
109.02874	1.4
109.06503	5.9
109.10143	3.4
111.04424	3.1
111.08064	9.9
112.42968	0.6
113.05994	1.8
115.05449	2.3
117.06992	3.9
119.04942	0.8
119.08565	19.2
121.06518	5.1
121.10129	9.4
123.04427	1.1
123.08070	3.6
123.11704	1.5
125.09599	4.1
128.06203	1.1
129.05495	0.8
129.07004	12.1
131.04897	1.0
131.08546	11.9
133.06483	5.3
133.10107	10.0
135.08054	1.2
135.11665	1.8
137.05998	0.7
137.09595	2.5
142.07732	3.4
143.08513	1.9
145.06506	3.7
145.10127	4.1
147.08022	4.5
147.11662	10.4
149.09601	6.8
151.11192	1.7
153.09058	0.9
153.12740	0.7
155.08511	2.2
157.06503	0.7
157.10124	13.5
159.08076	1.0
161.09605	2.9
163.11174	4.9
165.12741	3.0
169.10094	1.1
171.08031	1.6
171.11650	0.8
175.11157	12.9
179.10707	0.9
185.09662	0.9
185.13293	0.6
189.09061	1.3
189.11171	0.8
193.12216	35.5
194.12569	1.5
195.11726	1.1
201.21637	0.6
208.58807	0.7
209.11639	1.6
211.11212	1.2
211.13258	19.7
215.14378	0.7
223.13304	0.9
227.12743	2.6
233.15398	1.5
237.12639	1.3
249.14893	2.3
255.13763	1.5
267.15878	100.0
268.16113	3.3
273.14838	4.7
275.16891	0.7
283.15335	7.6
284.15573	0.8
285.16949	20.9
299.14868	5.5
301.16431	1.9
339.23148	1.3
341.20895	1.3
349.21609	3.2
367.22601	10.5
385.23651	11.3
390.93573	0.7
403.24707	2.9
415.24628	0.9
422.72485	0.7
433.25763	11.6
441.26334	6.0
459.27362	60.1
460.27554	3.3
473.25391	1.5
477.28442	40.1
478.28629	3.2
491.26135	6.9
495.28897	0.8
509.27298	13.5
510.27652	0.8
519.29480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53952	0.9
55.01861	6.7
55.05508	19.4
57.03434	11.2
57.07067	2.5
59.04993	4.6
61.02918	6.4
65.03943	2.6
67.05497	58.2
69.03420	2.7
69.07060	10.2
69.74561	3.9
71.01337	1.5
71.04985	25.7
71.20215	0.8
71.20728	0.9
73.02909	2.1
77.03945	1.3
79.05487	31.7
79.05949	1.8
81.03413	13.8
81.07047	94.2
82.07355	0.9
83.01319	5.4
83.04971	14.4
83.08613	15.9
85.02886	7.5
85.06535	10.2
91.03950	2.2
91.05470	31.5
93.06447	2.1
93.07032	34.9
95.04961	8.8
95.08602	14.4
97.02879	3.8
97.06518	7.9
97.10154	3.8
99.04472	2.8
99.08109	1.1
105.04487	1.8
105.07014	19.8
107.04939	10.4
107.08581	22.8
107.71325	1.0
109.02842	1.9
109.06511	6.6
109.10136	8.4
111.04442	3.4
111.08097	4.5
117.07000	9.2
119.08582	11.0
121.06489	3.8
121.10123	14.1
123.08024	8.1
123.11688	15.3
125.05989	1.5
125.09658	2.0
127.07578	1.7
129.07021	3.0
131.08585	6.9
133.10112	18.9
135.08051	2.9
135.11673	14.8
137.09637	2.3
139.11162	1.4
143.08498	1.3
145.06505	1.3
145.10107	15.0
147.08047	2.5
147.11641	2.3
149.09612	2.7
149.13251	6.2
151.11153	9.5
153.12753	2.4
155.08585	1.7
159.11678	4.6
163.11166	24.9
163.12454	2.0
169.12222	1.5
173.09648	2.8
177.12743	2.1
181.12201	2.9
183.13870	2.3
184.07426	2.5
187.13289	4.7
191.10661	2.9
193.12306	2.1
195.13860	2.5
209.11700	4.4
223.13274	1.9
227.12779	2.8
250.59911	1.0
253.14281	1.4
257.17392	2.1
265.14169	1.9
267.15863	2.3
269.17471	9.7
283.15363	22.1
283.18579	1.2
301.20056	16.1
315.17960	1.5
390.94983	1.0
410.60379	1.1
451.26849	100.0
452.27252	5.7
459.27133	4.3
465.28619	7.4
472.56421	1.2
477.28427	44.9
478.28610	4.2
491.29846	1.8
509.31064	93.6
510.31381	8.0
706.41797	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	706.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
53.60357	1.3
55.01865	7.2
55.05507	20.8
57.03436	12.8
64.20291	1.3
65.03938	1.9
67.05497	26.9
69.03416	3.6
69.07061	6.4
69.60784	6.3
71.04978	4.2
79.05043	2.1
79.05486	32.6
81.03410	90.3
81.07050	22.9
82.69836	1.5
83.04971	7.0
83.08612	19.6
85.02889	4.8
85.06524	1.8
86.09691	4.0
90.96436	1.4
91.05471	26.0
93.07037	17.7
95.04958	33.8
95.08572	10.7
97.02883	5.2
97.06518	4.6
97.10162	15.6
105.07026	18.9
107.04942	12.6
107.08583	12.2
109.06526	7.7
109.10157	5.4
111.08065	8.0
115.05492	1.9
117.06979	6.7
119.08572	15.9
121.06467	10.1
121.10117	9.0
123.04443	4.7
123.08039	5.6
124.99973	3.0
125.06018	2.0
125.09618	15.1
129.06982	12.2
131.08553	15.4
133.06456	6.5
133.10136	8.6
135.08035	4.3
135.11693	2.8
137.09621	2.1
139.22289	1.5
142.07793	2.7
143.08522	2.1
143.19066	1.5
145.06453	5.8
145.10123	4.8
147.08025	6.8
147.11661	8.9
149.09625	9.1
153.09135	3.4
155.08493	2.1
157.10121	10.8
159.08020	2.2
161.05963	1.7
161.09583	2.7
163.11134	3.9
167.10591	1.6
169.10133	2.1
173.09595	2.0
173.13235	2.5
175.11121	11.1
177.12711	1.9
184.07329	12.3
185.09543	1.4
187.11111	2.3
189.11180	4.7
193.12245	26.9
199.11157	2.6
208.91701	1.6
211.11031	1.7
211.13213	3.5
227.12492	2.3
233.15268	3.0
235.13228	2.6
249.14815	2.3
255.13680	2.8
261.14725	1.6
267.15875	98.0
268.16202	3.1
273.14740	4.2
293.17581	1.9
309.16956	1.7
339.23047	2.3
349.21628	5.3
367.22583	14.4
385.23712	19.8
386.24438	1.5
396.39508	1.6
403.24695	8.6
435.27075	1.9
441.26260	4.8
459.27377	100.0
460.27646	5.7
463.70532	1.7
465.30191	1.6
477.21530	3.0
477.28436	57.2
478.28793	3.4
487.19467	1.9
491.30063	8.4
501.28308	5.1
509.31131	2.6
544.36865	3.4
567.29358	4.7
734.81915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05032	0.6
56.80133	0.1
57.03426	0.2
57.07060	0.2
58.06622	0.5
59.07399	0.2
60.08158	5.9
67.05486	0.5
67.26760	0.1
69.07040	0.1
70.06567	0.2
71.07365	3.0
79.05474	0.3
80.97411	0.1
81.03426	0.2
81.07038	0.4
83.04964	0.2
83.08623	0.1
85.10184	0.1
86.09697	28.3
87.04452	0.4
87.10014	0.3
91.05482	0.3
93.07010	0.2
95.04929	0.1
95.08596	0.3
98.22594	0.2
98.98461	2.7
104.10732	2.1
105.07034	0.2
107.08587	0.2
119.08595	0.1
124.99992	18.8
133.10152	0.2
138.44562	0.1
143.01016	0.2
145.10071	0.1
147.11694	0.1
169.30453	0.1
184.07323	100.0
185.07681	1.1
185.35611	0.1
204.86388	0.1
211.13431	0.1
311.25964	0.1
318.16696	0.1
327.72455	0.1
399.73654	0.1
461.51703	0.1
465.35757	0.2
496.34027	0.2
545.38568	0.1
652.07892	0.1
706.46429	6.2
707.47058	0.5
711.44415	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	707.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22520	0.7
70.04978	1.9
70.61382	0.6
98.23381	1.4
102.48253	0.6
103.05485	1.4
131.04881	3.4
147.04440	0.7
159.04181	1.4
163.07498	1.0
171.04083	1.3
229.02908	0.8
242.43816	0.7
269.22043	0.7
349.10693	0.9
368.87427	0.8
486.64059	0.7
488.64590	0.8
508.18073	0.7
593.63751	0.8
707.24426	100.0
708.24634	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	707.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01870	3.7
55.05508	3.1
57.03431	3.2
59.04992	2.7
61.02918	1.6
61.29757	0.6
67.05194	1.0
67.05502	7.9
68.99773	1.0
69.03422	9.4
69.07061	2.4
71.04983	2.1
71.43504	0.9
73.02905	1.8
73.68793	0.6
77.03905	0.9
79.05488	7.5
80.05802	0.7
81.03407	15.5
81.07053	8.2
83.04974	3.5
83.08617	2.8
85.02898	12.7
85.06550	1.0
86.09708	1.1
87.00822	5.3
91.05471	10.4
92.05750	0.6
93.07035	10.5
95.04958	5.6
95.08597	5.0
97.02878	6.0
97.06522	3.0
97.10155	1.1
99.04477	3.8
100.11250	1.9
101.89623	0.7
103.05465	0.9
105.01872	3.0
105.04473	0.8
105.07024	11.6
107.04960	3.5
107.08589	7.1
109.02875	7.2
109.06493	4.1
109.10187	3.6
109.10828	0.6
111.04429	1.7
111.08072	2.4
113.05984	0.7
115.05469	0.8
117.01880	1.4
117.07003	3.7
119.08570	8.8
121.06490	5.3
121.10139	4.9
122.09679	1.6
123.04477	0.8
123.08057	33.6
125.09620	1.0
127.03896	8.5
128.06192	1.8
129.07019	2.4
130.53688	0.7
131.04936	0.8
131.08540	6.3
133.06468	1.6
133.10133	5.5
134.10469	1.1
135.08041	6.6
135.11673	2.2
137.05975	2.6
137.09575	1.0
139.07498	1.3
142.07849	1.0
142.12273	0.7
143.08537	4.8
144.09361	0.7
145.04973	2.7
145.06456	2.0
145.10091	9.8
146.07286	1.2
147.02873	0.8
147.08043	4.5
147.11685	3.0
149.05965	1.3
149.09605	14.7
149.10820	1.1
150.66228	0.8
151.07542	0.7
151.11189	1.4
153.01814	1.1
155.08582	3.9
157.06406	0.8
157.10052	3.2
158.07375	0.9
159.02834	3.5
159.08051	2.2
159.11682	1.6
161.09608	12.2
162.09961	0.9
163.11195	6.9
167.08598	0.9
168.09390	0.7
169.10106	2.2
171.08060	2.2
171.11716	2.7
173.09616	10.7
175.11137	4.3
177.09081	1.1
182.15414	1.1
183.11717	2.2
184.07346	1.8
185.09659	1.5
187.11179	2.1
187.14850	1.2
189.09122	1.9
189.12717	1.0
191.10638	11.9
193.10583	1.0
193.12204	4.9
195.11688	1.5
197.09579	1.0
197.13258	1.6
198.10616	0.8
199.11229	1.4
201.12714	1.3
203.10677	0.8
205.12279	0.9
207.11659	0.7
209.09721	1.2
209.11510	3.9
209.13313	1.7
210.14890	1.8
211.11172	1.7
211.13301	5.7
212.13611	0.9
213.12715	2.3
215.14282	10.6
215.16188	1.1
216.14661	1.1
219.13699	0.8
221.13248	0.9
223.11137	0.8
225.12781	2.7
227.12552	1.0
227.14494	1.5
229.15953	0.9
231.05008	1.0
231.07692	0.6
231.11656	0.8
231.13817	1.4
233.15356	0.8
235.14827	0.8
237.12660	1.0
239.14394	1.3
243.13844	1.7
249.14758	1.1
251.14278	1.1
255.17308	0.7
263.14273	0.8
265.16064	1.5
267.15829	1.9
277.15988	0.8
279.17328	1.0
280.14493	0.8
281.15381	0.8
283.15366	2.3
283.16989	1.1
285.16809	3.8
286.17319	0.9
289.15872	0.8
300.15341	0.9
301.17859	3.0
303.19510	2.0
319.19098	0.9
332.17728	1.3
335.20151	1.4
337.21594	0.9
339.19220	0.7
347.20251	1.2
353.21112	1.2
355.22574	1.0
363.23279	0.8
365.21252	1.4
375.19489	0.8
377.24326	0.9
381.24185	1.1
383.22040	3.1
387.23102	2.8
390.21744	4.2
405.24179	10.9
408.23022	4.6
423.25269	100.0
424.25540	6.5
425.26657	1.4
441.26331	81.4
442.26590	4.9
459.27036	5.1
460.27222	0.9
475.26883	3.1
491.07040	0.7
492.26666	1.2
493.27753	4.5
510.27850	3.2
511.28848	3.9
707.40033	1.1
707.54358	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
61.09242	2.1
69.19340	13.0
69.53201	2.4
81.87638	2.0
87.04475	6.5
98.23086	11.1
142.15506	2.4
183.28618	2.1
228.38298	2.7
288.72272	2.3
707.37524	100.0
708.38098	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	707.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06214	1.6
51.62719	1.5
81.07050	1.8
87.04443	3.3
90.09126	1.5
98.22906	1.8
115.51463	1.3
123.79404	1.4
166.87039	1.6
274.58105	1.6
523.97614	1.5
707.37488	100.0
708.38269	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	707.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11097	0.3
53.03957	0.5
53.39397	0.3
54.07489	0.3
55.01885	0.4
55.05506	2.0
55.52840	0.3
57.03443	1.7
57.07072	0.4
57.38790	0.3
59.05004	0.4
61.02922	4.8
67.05498	8.0
69.03419	2.4
69.07069	1.2
69.51148	1.4
71.01350	0.9
71.04984	0.7
73.02916	3.0
79.05486	3.8
81.03415	2.4
81.07050	4.0
83.04998	0.7
83.08632	1.0
85.02901	4.6
87.04464	0.8
91.03480	0.4
91.03947	2.5
91.05468	4.4
93.07039	4.3
95.04962	1.0
95.08589	3.1
97.02886	3.6
97.10182	0.6
99.04485	0.7
101.02390	1.9
105.07034	3.1
107.04971	0.4
107.08555	2.3
109.02887	0.7
109.06525	0.7
109.10150	5.7
111.08105	0.6
117.07044	1.0
119.08599	3.0
121.10145	1.2
125.09675	0.5
127.03946	1.3
129.05478	0.5
129.07008	0.6
131.08586	1.0
133.10132	2.1
135.11732	1.3
143.08604	0.4
145.10152	1.3
147.11719	1.3
148.18672	0.4
149.13332	0.6
155.10747	0.4
157.10168	0.5
159.11705	1.0
161.13263	0.7
166.93065	0.3
171.11774	0.5
173.11760	1.0
183.11906	0.3
185.04201	1.0
195.10002	1.0
203.05264	0.5
203.41571	0.4
229.14346	0.5
243.08363	2.5
259.20688	0.6
279.23477	0.3
293.13623	0.5
301.09103	1.1
315.10431	0.7
317.20816	0.5
373.11060	0.6
385.18304	0.7
413.17755	7.7
465.20859	0.4
485.20013	1.2
527.37280	0.6
535.28735	6.5
536.29181	0.7
545.38184	1.1
637.31873	0.6
689.40826	0.4
707.39661	100.0
708.39978	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	707.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.9
55.05507	2.1
57.03434	1.1
63.33236	0.7
67.05517	2.4
69.03422	8.4
69.07062	11.7
71.19402	1.1
79.05485	6.5
81.03397	5.3
81.07050	23.9
81.07503	1.5
83.04972	1.9
84.04494	6.0
85.02930	1.5
87.06277	0.8
91.05467	4.4
93.07035	5.4
95.08622	2.5
97.06539	3.3
97.10168	1.3
98.06056	0.9
99.04465	3.0
99.08065	3.9
101.07126	1.0
102.05563	1.3
105.07017	5.9
107.08582	18.5
107.09251	1.4
109.06519	2.4
109.10168	2.3
117.07039	2.7
119.06053	0.9
119.08586	2.5
121.06565	1.2
121.10160	1.8
123.08080	2.9
125.09631	9.5
125.10500	0.9
129.07010	1.9
130.04988	10.5
131.08551	3.9
132.85713	0.8
133.10170	2.5
135.08095	1.3
135.11749	2.1
141.07031	1.7
142.07768	1.4
143.08556	5.5
143.10757	1.1
145.06564	0.9
145.10117	4.8
146.09654	1.1
147.08034	1.2
147.11688	1.1
149.09634	1.6
149.13306	1.0
153.01874	2.2
154.07822	0.9
155.08530	8.0
157.09035	1.0
157.10164	2.9
158.09598	1.1
159.08078	1.9
159.11705	3.1
161.09650	1.4
161.13255	1.1
165.12837	1.8
167.08588	1.9
169.04924	1.4
169.10143	4.8
171.08087	1.5
171.11722	1.7
172.11249	2.1
173.09613	9.4
174.09233	3.0
181.10095	2.0
183.11671	1.8
185.13312	1.7
187.11197	3.9
188.10727	1.1
189.09172	0.8
192.10234	3.2
193.10199	1.6
195.11737	3.3
197.13315	3.3
199.11189	1.0
199.14861	0.9
207.11754	2.2
209.13341	1.3
209.21895	0.8
210.12880	1.1
211.11240	1.0
211.14763	1.5
213.12791	2.7
214.12468	0.9
219.11765	0.9
221.13249	1.1
223.14799	1.0
224.10754	1.5
226.12173	1.4
228.13889	1.4
232.09604	3.9
233.13272	0.8
237.16333	1.0
238.12270	2.0
240.13853	1.3
246.11292	1.3
247.14909	2.9
248.16536	2.0
249.16507	3.1
252.13826	0.9
254.11874	1.1
256.13315	1.3
258.11282	1.1
265.15891	2.2
267.17606	2.1
270.11346	1.7
272.12894	2.2
277.19238	1.0
282.11240	2.9
284.12805	4.0
293.19101	1.6
295.20728	1.8
298.14499	1.8
301.20389	1.2
302.13895	1.4
316.15436	1.0
324.16019	2.0
326.17673	1.1
338.17657	1.4
342.17172	1.7
360.17923	1.9
366.20755	1.0
377.20908	2.7
378.20773	3.1
391.26611	1.5
394.20239	1.2
396.22107	2.1
414.22815	1.7
426.30276	1.2
431.25497	1.7
464.24258	1.3
480.27292	1.1
480.33420	1.8
482.25580	3.0
502.29471	1.5
520.30560	3.6
538.31696	2.5
547.37384	1.2
556.32776	3.4
573.35645	2.1
574.33661	10.1
591.36682	3.4
592.34991	2.9
609.37378	87.4
610.37561	5.9
707.41052	100.0
708.41467	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	708.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01617	1.2
55.01865	19.1
55.05505	40.2
55.83409	0.9
57.03432	37.1
57.07066	2.5
59.05000	1.4
61.02924	10.3
65.03941	2.9
67.05499	53.0
69.03419	13.1
69.07059	17.8
70.66660	1.8
71.01346	2.1
71.04977	7.9
73.02911	6.7
77.03931	1.1
78.76923	0.9
79.05485	50.8
81.03408	100.0
81.07049	50.4
82.03731	1.9
82.04185	4.7
83.04462	1.1
83.04972	33.6
83.08612	39.9
84.02099	1.1
85.02895	35.6
85.03409	2.0
85.06531	4.1
87.04446	1.5
91.03946	3.7
91.05471	52.5
91.36806	0.8
92.05802	1.2
93.07037	34.4
94.07821	1.7
95.04958	57.8
95.08596	20.1
96.05785	1.2
97.02881	10.5
97.06528	13.2
97.09586	1.5
97.10159	19.1
98.07311	9.4
99.04453	2.2
99.08098	2.3
101.06059	1.3
103.03925	1.1
103.05476	1.6
105.04505	2.2
105.07019	33.8
105.07738	1.8
107.04947	14.0
107.08582	20.7
109.02869	1.3
109.06496	10.3
109.10137	14.5
111.04424	6.7
111.08073	20.7
113.05991	3.2
115.03870	1.1
115.05438	3.0
116.04704	15.6
117.06992	6.8
119.08563	28.1
121.06542	5.5
121.10130	17.6
123.08047	9.9
123.11707	1.9
125.06046	1.1
125.09623	21.2
127.03881	1.3
127.07558	1.3
127.11177	2.1
128.06215	1.4
129.05467	43.5
129.06947	16.4
131.08546	19.4
133.06454	4.7
133.10106	19.0
134.10471	0.9
135.08006	3.7
135.11693	6.5
136.08855	1.2
137.09578	5.4
141.06953	0.8
142.07768	3.8
143.07008	9.4
143.10654	2.0
145.10103	7.5
147.08063	6.1
147.11662	21.1
149.09619	12.5
151.11203	1.4
153.09093	1.5
153.12704	2.1
155.10681	1.4
157.08595	17.4
157.10110	21.2
158.05734	3.1
163.11162	11.0
164.11896	1.6
165.12726	4.0
171.06506	3.2
171.10126	6.7
173.09584	2.2
173.11749	4.7
175.11163	23.2
181.12244	3.2
184.07414	1.1
185.08147	1.8
185.11717	2.1
189.11217	10.0
191.10620	3.6
193.12216	75.6
194.12572	1.8
199.09503	1.3
199.13307	14.5
200.13998	2.7
201.14893	1.0
209.02943	0.9
209.11705	11.9
210.12410	2.1
211.13268	98.5
212.13614	3.2
213.14711	1.1
219.13727	1.3
224.86497	0.9
227.12781	15.7
228.13217	1.2
229.14337	2.8
245.13907	1.0
247.13121	2.1
249.14851	2.0
255.15892	2.6
263.88870	0.9
267.15881	30.8
268.16290	1.0
283.15302	12.9
283.18378	1.5
284.16003	3.6
285.16925	70.2
286.17270	3.1
301.16422	84.1
302.16650	4.3
339.17999	2.0
409.26047	4.5
427.26831	4.0
439.26877	12.7
458.26447	1.5
459.27243	4.7
475.26819	3.7
476.27472	3.7
477.28476	5.0
493.27930	20.4
494.28537	6.8
495.29532	1.1
511.28973	66.3
512.29193	5.4
677.29254	0.9
689.49139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.0
57.03428	11.3
57.93436	4.0
67.05500	75.2
69.07071	7.1
69.18656	24.8
71.04982	27.7
76.24257	4.5
78.25776	4.0
79.05481	32.8
81.03422	35.7
81.07046	100.0
83.04968	16.5
83.08633	27.6
85.02888	22.7
85.06538	11.3
91.05474	44.3
93.07027	35.4
95.04968	24.3
95.08594	16.6
97.06547	12.5
98.23050	20.5
105.07021	33.0
107.04952	8.7
107.08597	16.8
109.06504	5.2
109.10138	10.3
111.08091	10.1
117.07004	5.9
119.08591	14.4
121.10128	11.8
123.11728	19.4
129.07014	9.3
131.08542	16.0
133.10115	33.0
135.11777	4.3
147.11703	13.3
149.09650	8.2
149.13281	4.7
151.11198	5.2
157.10144	14.6
159.11702	7.5
165.12675	5.4
175.11153	10.0
187.13268	8.4
193.12247	26.2
211.13254	33.1
267.15997	20.9
269.17560	16.8
285.16968	23.8
301.20004	26.3
417.26212	8.0
435.27313	39.6
453.28400	84.1
461.28876	56.7
467.30020	9.8
479.29929	61.4
511.32672	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	708.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22052	1.3
53.03936	2.1
55.01866	1.7
55.05510	7.3
57.03430	10.4
58.48041	1.2
66.03477	1.4
67.05156	2.2
67.05498	30.2
67.98748	1.3
69.07067	7.8
69.19246	6.2
69.19661	2.4
71.04979	3.1
73.17473	1.3
73.63962	1.3
79.05481	19.0
79.19247	1.2
81.03409	42.1
81.07044	37.2
83.04965	3.7
83.08602	12.2
85.06531	1.7
91.05473	11.5
93.07038	22.5
95.04964	11.7
95.08589	8.7
97.06526	5.6
97.10155	2.5
105.07026	7.2
107.04968	2.5
107.08566	14.2
109.06522	2.5
109.10147	1.3
111.08052	6.1
116.33724	1.4
117.06996	2.5
119.08620	6.6
121.10118	8.3
123.08038	2.0
125.09662	1.6
129.06982	3.8
131.08557	6.6
131.49425	1.3
133.10132	5.9
135.11693	3.7
137.05957	1.3
147.11682	5.7
149.09627	1.4
149.13252	14.0
151.11154	1.5
157.10101	4.3
159.11676	4.0
165.12701	1.3
175.11192	5.1
177.12697	2.9
193.12253	11.4
195.13779	3.0
227.28720	1.3
267.15878	41.5
268.16287	2.6
269.17435	44.7
270.17685	1.6
435.27383	3.9
453.28366	2.1
461.28912	100.0
462.29190	4.9
479.29898	3.2
508.75800	1.4
511.32501	3.4
708.75287	1.5
731.31915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01866	2.3
55.05508	5.5
56.05838	0.5
57.03434	4.5
59.05009	0.8
59.94014	0.5
61.02921	5.5
61.45018	0.5
65.03942	1.0
67.05496	13.8
68.05834	1.5
68.37724	0.5
69.03414	4.5
69.07069	2.3
69.66991	1.7
71.01349	0.9
71.04996	2.9
73.02914	3.4
79.05482	9.4
80.05833	1.2
81.03409	10.3
81.07048	13.1
82.03770	0.8
82.07401	2.2
83.04970	3.5
83.08614	4.1
85.02897	7.6
85.06538	1.1
87.04512	0.8
91.03960	2.2
91.05474	9.7
92.05832	1.6
93.07027	8.1
94.07365	0.6
95.04967	6.8
95.08604	4.2
96.05306	1.0
96.08958	0.8
97.02890	4.7
97.06545	1.6
97.10172	1.4
99.04477	0.6
99.08098	0.7
101.02363	1.1
105.04481	0.6
105.07018	5.6
106.07367	0.7
107.04977	2.0
107.08582	3.4
108.08933	0.7
109.02913	1.1
109.06535	1.9
109.10143	4.5
110.10546	0.7
111.04430	1.1
111.08092	2.2
115.03922	0.6
117.07031	2.0
119.08556	4.3
120.08938	1.2
121.10130	2.8
123.11730	1.2
125.09619	1.2
127.03959	1.3
129.05435	1.0
129.07019	2.0
131.08511	2.9
133.10110	4.6
135.08086	0.9
135.11707	1.9
145.10164	1.7
147.08034	0.9
147.11714	2.1
149.09605	1.3
149.13295	0.9
151.11198	1.1
157.10179	1.5
163.11223	2.1
165.12823	0.9
173.11784	0.7
175.11253	1.7
176.11589	1.0
180.77592	0.5
184.07390	1.0
193.12219	4.5
194.12622	1.1
205.12462	0.6
209.11867	0.8
211.13263	4.1
212.13672	1.0
223.13329	1.4
227.12769	1.2
229.14417	2.5
230.14642	0.7
243.08385	1.6
251.12529	0.9
255.16042	1.0
263.12671	0.7
267.15778	3.3
268.16287	2.0
269.17496	2.3
283.15335	2.7
284.15881	1.5
285.16824	1.7
286.17172	1.6
301.16492	1.2
301.19855	0.7
302.16995	1.1
312.56598	0.6
343.40704	0.6
385.97079	0.7
421.25867	0.6
422.26266	0.7
423.27634	1.0
447.27530	0.9
448.27750	1.2
453.28387	1.3
454.28906	1.3
461.29025	1.5
462.29462	1.3
465.21317	0.6
468.29993	0.6
469.20425	4.0
472.61844	0.5
480.30344	1.3
481.20361	6.0
482.20609	1.0
493.28418	1.6
494.27997	2.7
495.29617	0.6
510.28244	0.8
511.27682	0.7
512.29016	1.8
709.33997	100.0
710.34595	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	709.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01866	2.3
55.05508	5.5
56.05838	0.5
57.03434	4.5
59.05009	0.8
59.94014	0.5
61.02921	5.5
61.45018	0.5
65.03942	1.0
67.05496	13.8
68.05834	1.5
68.37724	0.5
69.03414	4.5
69.07069	2.3
69.66991	1.7
71.01349	0.9
71.04996	2.9
73.02914	3.4
79.05482	9.4
80.05833	1.2
81.03409	10.3
81.07048	13.1
82.03770	0.8
82.07401	2.2
83.04970	3.5
83.08614	4.1
85.02897	7.6
85.06538	1.1
87.04512	0.8
91.03960	2.2
91.05474	9.7
92.05832	1.6
93.07027	8.1
94.07365	0.6
95.04967	6.8
95.08604	4.2
96.05306	1.0
96.08958	0.8
97.02890	4.7
97.06545	1.6
97.10172	1.4
99.04477	0.6
99.08098	0.7
101.02363	1.1
105.04481	0.6
105.07018	5.6
106.07367	0.7
107.04977	2.0
107.08582	3.4
108.08933	0.7
109.02913	1.1
109.06535	1.9
109.10143	4.5
110.10546	0.7
111.04430	1.1
111.08092	2.2
115.03922	0.6
117.07031	2.0
119.08556	4.3
120.08938	1.2
121.10130	2.8
123.11730	1.2
125.09619	1.2
127.03959	1.3
129.05435	1.0
129.07019	2.0
131.08511	2.9
133.10110	4.6
135.08086	0.9
135.11707	1.9
145.10164	1.7
147.08034	0.9
147.11714	2.1
149.09605	1.3
149.13295	0.9
151.11198	1.1
157.10179	1.5
163.11223	2.1
165.12823	0.9
173.11784	0.7
175.11253	1.7
176.11589	1.0
180.77592	0.5
184.07390	1.0
193.12219	4.5
194.12622	1.1
205.12462	0.6
209.11867	0.8
211.13263	4.1
212.13672	1.0
223.13329	1.4
227.12769	1.2
229.14417	2.5
230.14642	0.7
243.08385	1.6
251.12529	0.9
255.16042	1.0
263.12671	0.7
267.15778	3.3
268.16287	2.0
269.17496	2.3
283.15335	2.7
284.15881	1.5
285.16824	1.7
286.17172	1.6
301.16492	1.2
301.19855	0.7
302.16995	1.1
312.56598	0.6
343.40704	0.6
385.97079	0.7
421.25867	0.6
422.26266	0.7
423.27634	1.0
447.27530	0.9
448.27750	1.2
453.28387	1.3
454.28906	1.3
461.29025	1.5
462.29462	1.3
465.21317	0.6
468.29993	0.6
469.20425	4.0
472.61844	0.5
480.30344	1.3
481.20361	6.0
482.20609	1.0
493.28418	1.6
494.27997	2.7
495.29617	0.6
510.28244	0.8
511.27682	0.7
512.29016	1.8
709.33997	100.0
710.34595	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	709.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05509	2.0
57.03431	2.7
58.24714	0.8
61.02922	5.2
67.05499	4.6
69.03432	3.1
69.07056	1.6
71.04984	0.8
73.02898	3.2
75.04498	0.6
79.05486	5.5
81.03407	3.6
81.07052	5.2
83.01100	0.9
83.04988	1.9
83.08625	1.5
84.01852	0.8
85.02898	6.5
91.03947	3.7
91.05461	4.5
93.07034	4.8
95.01090	1.3
95.04963	1.9
95.08611	1.9
96.38400	0.6
97.02870	5.0
97.06565	0.7
97.10165	0.7
99.04472	1.8
101.02369	1.0
105.07040	2.7
107.04950	0.9
107.08616	2.0
109.06510	1.0
109.10145	1.2
111.08101	0.9
115.03889	1.1
115.12337	0.6
119.08581	1.8
121.10137	1.1
123.04279	0.7
125.09643	0.7
127.03913	2.0
129.05484	2.4
129.06966	1.2
133.10115	1.0
135.11688	1.0
139.03780	0.6
143.08601	0.8
145.04926	1.0
145.10133	1.5
147.11707	2.1
157.04701	0.9
171.11694	1.4
181.04695	1.2
185.04182	4.8
193.12268	0.7
199.13332	0.9
201.03702	2.1
203.05310	0.9
207.80692	0.8
231.07736	0.7
241.06923	0.9
243.08395	5.7
247.13080	2.6
251.12590	1.9
259.07861	0.7
269.17560	1.0
273.14673	3.0
301.08902	16.9
303.15665	0.7
313.09079	1.2
315.10419	4.6
317.08554	1.5
317.17249	0.9
327.10516	0.9
329.12256	0.9
341.12122	1.5
345.16895	1.9
355.13898	1.3
357.15274	1.3
359.57364	0.7
363.17816	2.1
363.92877	0.7
364.66833	0.7
369.15195	1.8
371.16833	2.9
373.10953	9.3
383.16879	2.4
385.18137	6.7
387.12650	1.6
391.17178	1.3
397.18353	0.8
401.14395	1.4
401.26535	0.7
415.15994	1.6
429.17297	2.4
429.25952	0.9
435.20038	1.6
437.21359	1.1
443.19012	2.3
455.18716	3.6
457.20511	2.0
462.29602	0.9
465.20969	16.2
466.20856	1.0
471.22046	0.9
481.20395	5.9
495.21964	10.4
496.22870	2.7
509.24100	1.1
523.23822	0.7
524.22418	5.9
527.28229	1.3
537.22797	8.5
539.28210	0.8
551.25146	2.0
565.29303	6.7
579.31635	6.3
580.32214	3.2
607.30664	7.5
608.31311	4.3
621.31787	1.6
625.32251	1.2
649.31561	2.1
663.33563	3.9
664.34210	1.0
691.32837	3.5
692.33795	1.4
709.33856	100.0
710.34265	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	709.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
57.03421	1.0
61.02917	4.2
67.05505	3.7
69.03425	2.4
70.80256	0.6
71.04974	3.8
73.02911	2.5
79.05474	3.8
81.03411	1.9
81.07049	5.0
83.04957	0.8
83.08595	0.7
85.02883	4.5
85.45087	0.6
91.03957	2.4
91.05462	5.1
93.07033	4.2
94.01295	0.7
95.04914	0.7
95.08631	1.4
97.02871	4.5
97.06525	1.2
98.23081	4.2
99.04465	0.8
101.02386	1.6
105.07019	2.7
107.08603	1.1
109.10126	0.9
115.79050	0.6
117.07020	1.2
119.08569	1.2
123.11684	1.0
127.03909	1.2
129.07002	0.8
133.10159	1.7
147.11681	1.3
159.11705	0.8
161.97586	0.7
243.08475	2.3
247.13078	0.6
267.15869	1.6
347.71375	0.7
465.20877	9.0
485.23465	7.1
664.27960	0.7
696.32397	0.7
709.37567	100.0
710.37659	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	710.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45161	2.1
69.29338	14.1
79.05486	4.3
81.49409	2.1
91.05460	23.1
95.04951	3.7
103.05468	12.7
105.07005	11.3
106.69427	2.4
107.04946	23.7
109.06497	3.0
115.05454	4.8
119.04919	17.1
121.06468	7.6
122.03614	4.0
122.07291	2.8
129.06976	6.5
130.04190	2.7
131.04906	20.4
133.06485	5.7
135.08031	7.4
136.05173	2.7
137.04929	5.2
137.05954	88.9
147.04395	12.8
149.05956	7.1
151.07526	54.2
153.01794	35.0
157.06483	7.3
161.05957	100.0
161.09589	18.7
162.06741	11.2
163.07512	40.7
167.08525	3.5
171.02943	3.9
174.06775	5.1
175.07466	12.9
177.05338	2.9
179.07010	5.0
180.77580	2.2
181.08585	9.3
189.09073	64.1
195.07982	8.0
207.08186	3.4
207.10120	86.1
219.10085	5.8
221.05995	4.7
221.09637	5.3
223.07570	3.9
225.08987	2.9
227.10641	11.0
249.09045	2.5
253.08394	4.1
253.12180	6.2
255.10193	12.1
281.11923	3.7
285.11136	11.0
287.12726	35.8
297.06293	3.0
297.11267	4.7
299.12671	7.3
301.14450	4.1
311.12677	15.0
313.14282	41.4
315.06924	7.8
325.14383	3.3
331.15308	62.4
343.15192	5.5
590.25732	5.5
734.93243	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	710.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
58.01345	1.5
65.03927	2.1
69.03417	2.1
69.26417	7.0
79.05482	5.2
81.03398	2.0
81.07069	1.7
83.08517	1.4
91.05473	19.5
94.04177	2.5
95.04938	5.2
97.02904	2.7
98.22843	5.2
98.23507	2.5
103.05449	13.9
105.07047	10.4
107.04945	24.5
109.06551	1.7
115.05408	4.3
117.07012	2.3
119.04934	16.2
121.06498	6.2
122.03630	3.7
127.03907	3.2
128.06242	2.3
129.07002	8.0
131.04916	21.5
131.08553	2.2
133.02866	1.9
133.06471	6.6
135.08006	7.8
136.05234	1.9
137.05965	81.3
137.63100	1.6
145.06436	2.6
145.07489	1.7
146.03642	1.6
146.07281	3.9
147.04422	11.2
148.05157	1.9
149.06007	8.1
151.03993	1.5
151.07530	45.7
151.08740	2.8
153.01820	33.2
153.03038	1.9
157.06430	5.1
161.05963	100.0
161.09601	20.6
162.06683	5.2
163.07513	34.8
165.06975	2.4
165.09096	3.1
167.08511	3.3
171.02847	4.0
174.06740	6.2
175.07556	11.5
177.09111	2.9
179.07048	4.0
179.08537	1.8
181.08627	7.2
189.09087	57.2
193.10127	2.5
195.08061	7.8
195.09949	1.6
203.08583	1.9
204.29919	1.7
207.10138	72.9
209.09668	2.1
210.06728	1.5
212.08255	2.1
213.09114	1.5
219.10146	5.0
221.05972	3.8
221.09517	3.3
223.07590	3.6
224.08284	2.2
225.09160	2.3
227.10707	11.2
237.09019	1.9
249.09183	2.5
253.08603	5.1
253.12167	7.5
255.10106	12.3
265.08588	2.2
267.10074	2.1
269.07993	3.0
272.10577	1.7
281.11783	4.6
285.11249	8.2
287.12747	31.4
297.06070	2.0
297.11304	3.4
299.12656	4.0
311.12723	10.4
313.14310	32.8
315.07098	7.5
331.15329	51.0
332.15753	1.8
343.15454	5.6
459.18326	1.9
589.25128	1.9
686.81610	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01865	4.9
55.05502	9.7
57.03432	11.1
59.04992	1.3
61.02901	2.2
65.03937	1.2
67.05495	31.0
67.05862	1.5
68.05844	1.4
69.03423	3.9
69.07063	5.9
69.50781	1.7
69.51189	2.6
71.04979	4.8
79.05486	16.8
81.03405	38.7
81.07048	27.5
82.03732	1.4
83.04973	8.1
83.08611	10.9
85.02908	4.5
85.06540	2.6
88.03001	1.1
91.05469	27.3
92.05806	1.1
93.07034	16.5
95.04343	1.2
95.04956	18.5
95.05531	1.6
95.08611	7.0
96.05328	1.2
97.02885	3.4
97.06516	3.3
97.10149	2.7
98.23425	2.0
99.04395	1.6
104.58998	0.8
105.07013	23.2
106.07350	0.8
107.04958	4.8
107.08582	21.0
109.06526	4.6
109.10143	34.3
111.04455	2.0
111.08061	6.0
113.06001	1.9
117.06966	1.9
119.08552	10.5
120.08944	0.9
121.06492	1.8
121.10130	4.7
123.08041	2.0
123.11666	6.9
125.09636	1.8
127.07532	2.5
129.05498	1.6
129.06995	4.0
131.08553	6.0
133.06526	1.7
133.10114	49.2
134.10449	2.0
135.11696	4.1
137.09653	1.9
142.07738	1.7
143.08524	1.2
145.06450	0.9
145.10100	4.5
147.08005	1.7
147.11719	4.5
149.09616	2.9
151.11165	23.4
157.10110	3.7
159.11670	2.3
161.09633	1.7
163.11188	2.7
169.12186	2.4
171.11665	1.0
173.11766	1.4
173.13206	1.8
175.11188	4.8
185.13290	1.2
187.14854	3.2
193.12201	16.5
194.12514	2.4
201.16547	1.6
209.11714	1.4
211.13266	6.9
212.13670	2.3
227.12874	1.2
253.14313	100.0
254.14693	3.4
267.15869	37.4
267.18726	1.8
268.16272	2.6
269.17392	1.7
271.15378	22.0
272.15991	1.0
283.15463	3.3
285.16925	4.5
301.16464	1.9
343.22278	1.1
369.79309	1.0
389.23163	1.1
395.68484	1.0
437.25241	1.7
445.20099	1.6
445.25784	19.4
463.26819	50.8
464.27310	3.1
467.31378	2.9
469.32263	1.2
477.28043	3.6
495.29517	11.3
505.27444	1.3
513.30042	3.6
539.74487	1.0
578.32257	1.0
639.29065	1.3
640.87408	1.1
692.53619	1.0
710.33362	2.6
711.31250	14.0
743.14160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01867	2.3
55.05505	11.7
57.03432	12.5
60.23320	1.2
65.03925	1.8
67.05159	1.5
67.05499	16.5
69.03417	4.2
69.07059	5.0
69.27641	0.9
70.10475	3.0
71.04980	3.2
79.05040	1.5
79.05483	20.7
81.03408	85.2
81.07048	21.2
83.04971	11.7
83.08611	16.9
83.60655	1.1
85.02895	10.1
91.04936	1.9
91.05471	23.9
93.05580	1.0
93.07030	12.1
95.04343	1.6
95.04958	29.4
95.05529	2.0
95.08584	7.8
97.02865	3.6
97.06528	2.3
97.10153	4.9
105.07022	16.6
107.04954	8.3
107.08584	7.9
109.06511	3.9
109.10140	4.0
111.04462	2.1
111.08063	8.5
113.05987	1.8
115.05397	1.2
117.07001	2.6
119.04967	1.6
119.08568	16.4
121.06501	3.7
121.10137	7.2
123.08080	2.1
123.11630	1.2
125.09611	2.1
129.06976	13.0
131.08554	11.9
133.06459	3.3
133.10123	7.2
135.08040	1.9
137.09604	1.8
142.07744	2.7
143.08556	1.2
145.06499	3.0
145.10068	1.7
147.07973	5.1
147.11641	9.2
149.09601	7.6
157.10123	11.1
159.08070	1.4
161.09528	1.0
163.11180	1.4
165.12761	2.0
171.08072	1.1
171.11604	1.3
175.07642	1.0
175.11163	11.6
177.99651	1.0
179.01912	1.1
185.18860	1.2
189.11194	1.6
193.12227	31.5
211.13275	15.3
212.13640	1.2
227.12598	1.3
229.14366	1.4
237.12665	1.2
249.14886	1.9
255.13864	1.5
267.15866	100.0
268.16138	3.7
273.14850	4.9
285.16959	18.5
341.21014	1.4
349.21555	3.4
367.22467	7.1
385.23663	11.4
403.24707	3.9
405.24124	1.4
433.25739	12.7
434.26398	1.8
441.26343	6.2
459.27365	65.5
460.27667	5.3
477.28433	41.6
478.28925	3.6
495.29504	1.2
679.03412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05510	2.1
57.03419	1.1
61.02914	1.4
67.05502	3.7
68.58884	0.5
69.03416	1.3
69.07067	0.9
70.55392	0.9
70.55727	0.9
71.04996	1.0
73.02914	1.0
75.01991	0.5
81.03413	4.7
81.07059	4.0
82.03721	0.8
83.04971	2.2
83.08613	2.1
85.02893	1.9
91.05464	3.2
92.05834	0.6
92.55499	0.7
93.07034	3.4
95.04951	2.2
95.08604	1.4
96.05312	0.8
97.02889	2.2
97.06504	1.0
97.10158	0.7
105.07023	2.0
107.04933	1.0
107.08568	1.6
109.10139	1.5
111.04509	0.8
117.06947	0.7
118.11485	0.5
119.08554	2.2
120.08916	0.6
121.10145	1.3
131.08553	1.2
133.10120	0.6
135.11697	0.8
145.10075	1.1
146.48811	0.7
147.11732	0.7
149.09686	0.7
163.11194	1.3
175.11124	0.9
191.10678	0.6
193.12259	1.5
194.12617	0.9
209.11688	1.2
211.13251	1.5
227.12868	0.7
249.10983	1.1
254.51094	0.7
267.16068	1.0
269.17346	0.7
282.52411	0.6
283.15430	1.2
284.15948	0.6
285.16763	1.6
286.17224	1.2
328.20932	0.6
440.26834	0.6
467.18753	2.3
469.20612	1.6
477.27914	0.9
478.28342	1.8
485.17621	1.3
495.29370	2.2
496.29666	2.8
639.29645	0.8
693.30957	1.0
711.29816	100.0
712.30090	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	711.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.03431	1.2
61.02910	2.0
67.05502	3.3
69.03420	1.3
69.07070	1.2
69.53745	0.5
70.92660	0.7
71.01346	0.5
71.04986	0.9
73.02905	0.9
81.03410	2.4
81.07050	2.5
83.04977	1.2
83.08630	1.2
85.02911	1.9
91.03929	0.7
91.05456	2.7
93.07037	2.5
95.04962	1.3
95.08602	1.0
97.02884	1.4
97.06538	0.6
99.04461	0.6
105.07026	1.6
107.04929	1.2
107.08594	1.1
109.06478	0.5
109.10164	1.1
117.07021	0.9
119.08624	0.9
121.06439	0.7
121.10107	0.8
127.03986	0.7
128.57793	0.6
131.00104	0.5
131.08542	0.8
133.10159	0.9
135.11613	0.8
145.10181	1.0
157.10095	0.7
160.64360	0.6
163.11226	1.2
185.74869	0.5
193.12257	0.7
203.92813	0.6
211.13240	0.8
212.77954	0.6
243.08562	0.8
267.09207	0.9
267.16074	1.0
283.15439	1.1
285.10144	1.4
285.16849	1.1
367.41782	0.5
439.20212	0.6
467.18979	4.1
478.28952	0.9
485.19012	0.6
495.29926	0.9
496.29755	1.7
547.62964	0.6
581.29651	1.1
597.64960	0.6
639.29773	1.5
693.30713	3.2
711.30096	100.0
712.30463	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01868	0.7
55.05509	1.4
57.03423	2.5
61.02919	4.1
67.05497	4.4
69.03420	2.1
69.07052	1.0
71.04984	1.0
73.02911	3.1
77.14854	0.4
80.05810	0.4
81.03412	6.9
81.07050	3.4
82.03726	0.6
82.07417	0.4
82.28332	0.4
83.04986	1.3
83.08614	1.9
85.02892	5.0
86.09714	0.9
91.03947	2.9
91.05466	4.2
93.07040	3.1
94.07415	0.5
95.04967	2.1
95.08612	1.4
97.02882	3.8
97.06511	0.6
97.10158	0.5
99.00810	0.7
99.04451	1.1
101.02356	2.1
105.07025	2.9
107.04967	1.1
107.08604	1.4
109.02867	1.5
109.06533	0.5
109.10147	1.2
111.04429	0.9
111.08090	1.5
113.05965	0.7
115.03912	0.5
119.08588	2.3
120.08923	0.7
121.10145	0.9
123.08083	0.7
125.00006	0.5
127.03933	1.3
131.08577	1.1
133.10136	4.0
135.11757	0.6
142.07805	0.5
143.08553	0.5
145.08873	0.4
145.10120	0.9
147.11703	1.2
149.09631	0.6
151.11176	1.1
157.10114	1.2
161.09625	1.3
163.11325	0.5
175.11189	0.8
179.10617	0.8
184.07339	3.6
185.04236	0.6
185.07680	0.6
189.09258	0.6
193.12199	2.8
194.12614	0.7
211.13365	1.7
212.13565	0.8
225.11275	0.5
243.08347	1.2
249.11131	0.5
265.10406	1.3
267.15860	2.1
268.16327	1.6
285.16992	2.7
286.17258	1.3
447.27579	0.7
460.27652	0.7
467.18890	0.7
469.20331	3.9
477.28210	0.9
478.28775	1.5
483.18219	6.9
495.29221	1.6
496.29840	2.5
531.51733	0.5
645.96637	0.6
679.42041	0.6
711.31854	100.0
712.32178	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	711.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05516	3.2
57.03432	3.5
61.02920	5.2
67.05505	7.2
69.03421	4.0
69.07052	1.4
71.04991	2.0
73.02909	4.0
81.03413	4.3
81.07050	5.1
83.04951	1.9
83.08611	2.0
85.02908	6.4
91.03954	4.6
91.05473	3.8
93.07047	4.9
95.01082	1.3
95.04976	2.0
95.08596	2.7
96.01860	0.9
97.02912	5.1
97.06531	0.9
97.10201	1.0
98.22547	0.6
99.04459	1.3
101.02367	2.4
105.07012	1.9
107.04954	1.2
107.08576	3.0
109.02851	1.4
109.06462	0.7
109.10150	2.9
111.08068	0.7
117.05495	1.1
119.08562	2.1
121.10159	2.3
123.04227	0.8
125.09586	0.9
127.03931	2.0
129.05481	2.1
129.07016	1.0
133.10130	1.5
135.11711	1.6
137.09659	0.9
145.04930	1.4
145.10124	2.2
149.09607	0.9
156.03963	1.3
163.11214	2.8
181.04822	0.8
184.07347	2.0
185.04211	5.3
193.12320	1.2
201.03662	2.6
203.05441	0.7
209.43117	0.6
229.14423	1.9
241.06821	1.1
243.08347	5.8
249.10870	1.9
251.12576	0.9
253.07057	0.8
254.33096	0.8
259.07886	1.2
267.15973	0.7
269.17496	1.3
270.17670	0.8
275.12576	1.7
283.15344	1.3
301.08905	13.4
301.16473	1.1
313.08572	1.0
315.10544	3.7
319.15088	1.4
327.10519	1.7
329.11990	0.7
337.16345	0.8
341.11835	0.8
347.14615	2.2
357.14944	1.1
365.15756	1.6
369.15228	1.8
371.16870	1.4
373.11035	7.2
383.16711	2.1
385.10977	0.8
385.18286	7.4
387.12616	1.4
388.69543	0.7
403.24643	1.2
413.17892	0.8
419.24222	0.9
423.27512	0.8
429.17215	4.0
439.19241	1.0
443.18884	2.1
455.18964	1.9
457.20319	2.0
465.20712	2.4
467.18842	15.4
469.20782	3.2
470.21100	1.6
487.21609	1.1
495.29742	0.8
497.19626	4.0
498.20508	3.4
511.21146	2.3
513.26428	1.2
539.13452	0.7
539.20355	3.9
553.22791	1.4
554.30750	1.0
567.24066	1.9
581.29608	9.9
582.29572	1.9
609.28680	3.4
637.32233	1.1
639.29895	4.4
665.30927	3.0
693.30896	2.3
694.30902	1.4
710.34766	0.8
711.31989	100.0
712.31873	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	711.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01858	1.4
55.05512	1.4
57.03429	1.9
61.02917	5.7
67.05496	5.5
69.03409	2.4
69.07062	1.0
69.14292	2.7
71.01353	0.6
71.04988	3.7
73.02903	4.6
81.03422	2.2
81.07042	6.5
82.81667	0.5
83.04960	0.9
83.08610	1.5
84.98909	0.5
85.02898	4.9
87.04460	0.6
91.03958	3.3
91.05461	4.8
93.07056	3.8
95.04980	1.6
95.08604	1.5
97.02879	5.3
97.06533	1.1
99.04453	0.8
101.02402	1.9
103.03946	0.5
105.07020	2.5
105.24445	0.5
107.08598	2.7
109.02872	1.0
109.06518	0.9
109.10181	1.3
115.03942	0.5
117.07010	1.2
119.08598	1.1
121.10177	1.3
123.08064	0.6
123.11705	0.8
127.03928	1.8
131.08562	0.7
133.10126	3.2
135.11685	1.2
145.04990	0.6
145.10086	1.0
147.11688	0.6
149.13210	1.1
151.11217	1.2
163.11188	2.0
173.37999	0.4
183.13792	0.7
185.04259	0.6
193.12148	0.6
195.13802	0.5
211.13354	0.6
243.06061	0.5
243.08382	2.5
257.17487	0.8
267.15793	1.2
281.13574	0.5
301.09311	0.7
401.17615	0.5
453.20932	2.1
465.20886	0.8
467.18729	5.4
469.20963	0.6
485.23627	6.0
499.21539	0.6
501.15753	0.5
642.22992	0.6
679.34021	0.6
693.34161	0.9
711.35492	100.0
712.35944	9.9
732.34760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01873	0.6
55.05497	0.5
57.03444	1.8
59.04996	0.9
61.02922	5.0
64.62939	0.3
67.05501	2.8
69.03416	2.7
69.07065	0.8
69.93863	1.1
71.01365	0.5
71.04979	1.1
73.02917	3.3
81.03409	8.5
81.07050	3.0
83.04954	0.6
83.08583	1.8
85.02901	4.3
85.06546	0.4
87.04465	0.4
91.03947	2.5
91.05455	2.7
93.07054	2.2
95.04928	2.8
95.08602	0.7
97.02878	3.6
97.10155	0.6
99.04432	0.7
101.02373	1.6
105.07038	2.0
105.60886	0.3
107.04949	1.0
107.08593	1.3
109.02920	0.4
109.06485	0.7
111.08096	1.0
119.08589	1.5
121.06530	0.4
121.10157	1.3
127.03918	1.2
129.07018	1.0
131.08598	1.4
133.06519	0.4
133.10130	1.5
144.26419	0.4
145.02798	0.3
145.10263	0.4
147.08061	0.4
147.11732	1.4
149.09665	1.1
157.10138	1.0
165.12720	0.4
175.11197	1.1
185.04286	0.7
193.12193	2.9
217.45137	0.3
225.14888	0.4
235.13290	0.4
243.08418	1.7
267.15952	2.2
283.15097	4.3
321.80554	0.4
339.17780	0.4
355.07077	0.3
451.13162	0.6
451.19312	7.3
469.20609	0.5
501.23068	7.5
502.23279	0.7
512.98499	0.4
549.30353	0.5
680.56268	0.4
711.35504	100.0
712.35864	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	712.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05019	0.9
57.03450	0.3
58.06599	0.5
60.07870	0.5
60.08160	6.5
67.05484	1.3
69.07051	0.8
71.07365	4.3
71.42001	0.4
75.95564	0.3
77.29161	0.3
78.28622	0.3
79.05479	1.2
81.07068	1.7
83.08627	0.6
86.09702	30.3
91.05457	0.9
93.07024	1.1
95.08588	0.6
97.93035	0.3
98.98453	3.4
104.10739	1.9
105.06979	0.6
106.40136	0.3
107.08620	0.6
109.10117	0.5
119.08546	0.3
125.00001	20.2
133.10089	0.4
135.11684	0.5
143.01065	0.3
184.07332	100.0
185.07646	0.9
216.88022	0.3
415.16107	0.3
712.45227	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	712.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01870	2.4
55.05509	18.5
57.03429	21.0
57.07058	4.0
61.02914	3.1
65.03917	2.0
67.05499	69.8
68.05804	1.2
69.03419	1.8
69.06712	1.6
69.07062	19.8
71.01337	4.3
71.04979	4.8
77.03930	1.3
79.05482	56.5
81.03402	5.1
81.07050	52.3
82.07379	2.2
83.04976	9.2
83.08624	8.4
85.02890	4.5
85.06524	4.3
91.04934	2.2
91.05469	27.0
93.07035	67.4
95.04962	9.5
95.08591	33.4
97.02863	2.5
97.06519	15.1
97.10173	9.5
99.08086	2.9
102.62998	1.2
105.04521	4.5
105.07022	12.8
107.08582	40.3
109.06519	2.8
109.10145	16.5
111.08051	2.4
111.11673	1.6
116.47038	1.0
117.07030	7.7
119.08568	13.4
121.10120	19.0
123.08009	1.5
123.11687	3.6
125.09568	2.1
131.08562	7.3
133.10095	10.3
135.11678	61.3
136.12003	1.2
137.09566	2.2
137.13324	1.2
143.08505	1.2
145.10107	13.7
147.11671	3.4
149.13248	4.7
151.11140	1.4
151.76256	1.2
153.12720	3.0
157.10059	1.3
159.11668	3.5
161.13217	3.5
163.11137	8.0
163.14864	1.7
165.18330	1.4
173.13245	3.7
175.14771	1.7
181.12210	12.3
183.56772	1.2
184.07295	1.4
187.14836	1.6
199.13219	1.9
243.21017	4.6
253.14305	3.5
255.15883	100.0
256.16226	1.9
261.22125	12.6
313.27493	1.4
317.24741	3.8
324.24072	1.3
335.25742	58.4
336.26202	2.4
386.89191	1.0
423.32727	2.0
441.33783	1.7
515.37292	78.9
516.37555	5.7
533.38501	2.2
586.05658	1.4
646.87769	1.2
701.25970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19276	0.3
51.30415	0.3
56.61900	0.3
63.02376	0.5
66.94067	0.3
68.69079	0.3
69.10543	1.1
69.10966	1.2
75.77045	0.3
78.04713	0.5
79.05487	0.7
89.03908	10.6
91.05478	1.6
95.04965	0.6
103.05466	5.7
105.07043	2.1
106.04181	0.6
106.52110	0.3
107.04959	1.3
115.05471	0.4
117.03370	27.7
117.07040	0.4
118.03638	0.3
119.04952	0.6
121.06494	0.5
121.08235	0.3
122.03645	0.3
131.04921	11.4
133.06491	1.5
134.03674	2.2
134.04524	0.4
135.04369	1.9
137.05975	5.6
143.06078	0.4
144.05742	0.4
145.02837	61.1
146.03116	1.6
147.04459	0.4
149.05968	10.3
151.03836	0.6
151.07452	0.4
161.05957	5.7
162.06743	0.4
162.24080	0.3
163.03871	1.2
163.07559	4.6
175.07567	2.1
176.66026	0.3
177.05453	100.0
178.05785	2.3
186.05501	1.1
187.07526	0.7
189.05440	4.4
189.09096	0.5
194.07256	0.4
201.05409	0.5
201.09117	0.8
203.07048	0.6
205.04958	0.7
219.10179	0.9
222.06726	0.5
229.04953	0.3
231.06448	0.5
233.09566	0.6
237.09042	0.4
247.05925	2.5
249.09125	0.4
251.07144	0.5
261.09119	0.4
265.08511	1.1
265.11655	0.3
277.08456	0.4
279.06543	0.6
293.11575	0.8
295.09647	0.5
296.06595	0.4
297.11163	1.2
297.14462	0.3
309.11148	0.8
311.09067	2.1
311.12735	0.8
313.14304	0.9
325.14316	1.9
343.15463	1.8
353.09943	0.7
366.41678	0.3
395.14755	1.0
492.90189	0.3
530.01880	0.5
552.35333	0.3
574.65808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15222	0.2
63.02335	1.0
67.05490	0.2
78.04702	0.5
78.08418	0.2
79.05486	0.3
82.63522	0.2
86.21069	0.2
89.03906	10.2
91.05465	1.0
95.04952	0.5
103.05444	1.1
105.03382	0.2
105.07030	0.3
106.04131	0.9
107.04965	0.7
114.03711	0.2
115.05458	0.5
117.03363	27.0
117.37299	0.2
118.03674	0.3
119.04951	0.3
121.06483	0.2
124.05197	0.3
131.04912	1.0
133.06526	0.3
134.03624	1.7
135.04401	1.8
135.08072	0.2
137.05969	2.6
145.02829	57.3
146.03249	0.9
147.04414	0.3
149.05966	10.2
151.03888	4.9
151.04994	0.4
151.07510	0.5
158.06020	0.4
158.07242	0.2
160.05202	0.6
161.05957	3.2
162.03149	0.4
163.03876	0.6
163.07539	1.7
171.71156	0.2
173.09627	0.6
175.07524	1.7
177.05446	100.0
178.05763	2.1
186.05505	1.6
189.05501	0.4
190.02596	0.3
190.07791	0.2
194.07272	0.6
195.07921	0.2
195.10136	0.2
201.05333	1.0
203.06961	0.4
203.08595	0.2
205.04895	2.7
205.06531	0.4
205.10063	0.7
206.07101	0.2
207.08075	0.2
211.07497	0.3
215.08713	0.2
221.05913	0.2
221.09554	0.3
222.06662	0.6
222.10246	0.3
224.08237	0.3
225.05434	0.2
225.09190	0.2
233.05997	0.3
233.09583	1.0
235.07458	0.5
236.04688	0.4
237.09120	0.7
240.07750	0.4
247.05949	2.2
249.09006	0.3
250.06165	0.3
250.09875	0.6
251.06992	1.2
251.10561	0.2
251.90720	0.2
253.04936	0.3
254.09230	0.3
255.10255	0.2
261.09052	0.8
262.09811	0.2
263.06970	0.2
265.08572	2.1
265.12225	0.8
267.06516	0.2
267.09857	0.3
268.07272	1.7
269.08069	0.4
277.08633	0.4
278.09460	0.3
279.06473	1.8
279.09406	0.3
280.07269	0.3
282.08847	0.9
283.09628	3.1
284.10376	0.8
293.08359	0.3
293.11682	2.0
294.12448	0.3
295.09570	0.3
296.06674	0.9
296.09802	0.3
297.11148	3.1
297.14749	1.0
299.12906	0.3
309.11218	0.3
310.11786	0.4
311.09113	6.8
311.12558	0.4
312.06274	0.4
312.09592	0.3
325.10574	1.2
325.14304	2.7
327.08572	0.8
329.10034	0.3
337.10654	0.3
343.15344	5.1
353.10107	4.5
369.09512	1.1
369.13629	0.4
371.11035	0.2
395.14700	0.6
501.18994	0.3
519.19531	0.3
571.19043	0.6
667.24927	0.5
683.92529	0.2
695.24359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08662	2.6
69.09080	1.0
103.05510	0.6
131.04860	0.7
137.05995	1.8
153.01804	1.3
161.06032	0.5
167.06955	0.7
175.03674	1.2
191.07077	0.8
205.04697	31.5
206.05019	0.7
218.05434	5.2
232.07045	3.2
235.52744	0.5
249.07292	1.4
293.09921	10.0
293.12982	0.7
307.11514	12.8
307.14838	1.0
308.11801	0.5
367.11612	0.7
379.11218	0.8
382.13870	1.0
394.14023	1.3
397.12436	1.8
412.14911	1.9
413.15292	0.9
425.15622	7.7
439.17252	0.7
638.23248	1.8
713.27643	100.0
714.28119	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	713.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77269	0.4
55.05499	1.3
57.03436	1.4
60.08153	0.5
61.02920	2.0
67.05495	3.5
69.03430	1.6
69.07061	0.6
71.04992	1.1
73.02921	2.0
79.05479	1.9
81.03394	2.6
81.07043	2.5
82.03777	0.5
83.04988	1.3
83.08630	1.1
85.02906	3.0
86.09705	1.5
88.14803	0.4
91.03973	1.3
91.05491	2.1
93.07041	1.9
95.04977	1.4
95.08624	1.6
97.02887	3.1
99.04465	1.0
101.02372	0.6
105.07023	2.2
107.04964	0.5
107.08611	2.1
109.06550	0.7
109.10107	0.7
109.95601	0.4
111.04443	0.5
117.06993	0.5
119.08596	0.9
121.10105	0.9
124.99989	1.1
127.03903	1.0
129.07053	0.6
130.43028	0.5
131.08606	0.5
133.10132	0.8
135.11700	1.0
145.10094	0.5
147.11685	0.9
157.10138	0.8
163.11238	0.9
181.12292	0.6
184.07304	5.3
185.04295	1.3
193.12360	1.3
211.13371	0.8
243.08527	1.8
245.82152	0.5
251.12669	1.4
255.16142	0.5
267.09143	1.4
285.09985	1.2
287.07065	0.6
289.87045	0.5
301.09000	2.7
310.56046	0.5
315.10327	0.6
344.57486	0.5
349.16626	0.5
373.11145	0.7
383.16748	0.7
385.18301	1.3
439.19193	0.8
443.18738	1.1
467.18872	1.7
469.20502	6.3
485.19516	2.2
499.21381	0.9
528.21680	1.0
541.22980	1.3
569.25238	0.6
583.30920	0.6
611.30884	1.0
612.30695	1.0
641.31116	1.6
657.53015	0.5
667.32721	4.0
695.32349	2.8
696.32483	0.6
713.32275	100.0
714.32648	7.3
740.21521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98946	1.0
52.12399	1.0
67.05466	1.1
72.19100	1.1
74.14267	0.9
79.05492	1.8
81.03439	1.0
81.07050	1.5
85.15306	1.1
91.05459	1.8
92.87666	1.1
95.05024	1.1
97.02846	1.0
98.23264	1.0
100.03973	0.9
103.05478	1.2
105.07050	1.4
107.08624	0.9
115.87691	0.9
131.04932	2.5
133.06479	1.8
136.71652	1.0
136.81567	1.1
137.05983	6.2
151.03868	1.9
151.18628	1.1
161.05971	2.5
175.07564	1.3
199.19914	1.0
277.08890	1.0
280.51401	0.9
281.11862	1.6
309.11218	2.2
337.10565	1.3
355.12122	1.1
469.20395	1.3
510.22787	1.1
713.31616	100.0
714.32245	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	713.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80880	0.4
55.05508	0.7
57.03438	1.3
58.07814	0.6
58.08086	0.4
59.69148	0.5
61.02929	1.6
67.05506	1.0
69.03414	1.0
69.37788	2.2
73.02917	1.3
79.05485	1.2
81.03408	1.1
81.07067	1.2
83.08617	0.6
85.02890	2.5
91.03972	1.0
91.05472	1.0
93.07056	1.0
95.04969	0.6
95.08610	0.5
97.02895	2.0
101.02377	1.1
105.06980	0.7
119.08629	0.6
121.10145	0.6
127.03938	0.7
185.04279	0.9
193.12199	1.1
201.03603	0.5
211.13177	0.5
243.08513	0.8
251.12608	0.9
267.08914	1.2
285.10065	0.8
301.08911	3.7
315.10736	1.0
349.16138	0.6
373.11139	1.0
383.16885	1.1
385.18423	1.5
443.18741	1.0
467.18875	0.9
469.20450	4.9
485.19089	2.2
499.21500	0.8
541.22760	1.4
583.31348	4.1
611.30237	1.3
612.31152	0.9
641.31799	0.8
655.33319	0.8
667.32782	4.9
695.31940	1.5
713.31964	100.0
714.31964	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	713.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58339	0.3
53.03963	0.4
54.21250	0.3
55.01871	1.2
55.05506	1.1
56.27634	0.3
57.03431	1.9
57.07071	0.5
61.02922	3.1
67.05502	1.9
69.03432	2.0
69.07058	0.4
69.51491	1.3
71.05000	0.5
73.02909	2.7
79.05492	1.7
81.03414	2.3
81.07056	1.4
83.04993	0.5
83.08620	1.1
84.01888	0.5
85.02906	4.1
86.09693	0.5
88.97408	0.3
91.03951	2.5
91.05482	1.5
93.07065	1.4
95.04990	1.3
95.08599	0.8
97.02893	4.1
97.06559	0.5
99.04475	0.8
101.02386	1.0
105.07025	1.1
107.04958	0.3
107.08633	0.7
109.02780	0.7
109.10114	0.6
111.04457	0.5
111.08115	0.5
113.80686	0.4
117.05468	0.6
117.07013	0.5
119.08607	0.6
121.10152	0.7
123.04243	0.5
125.09654	0.6
127.03899	1.6
127.11195	0.4
129.05495	1.4
129.07065	0.6
131.08565	0.5
133.10136	0.5
135.11722	0.7
137.05936	0.5
145.04985	0.5
147.11749	0.5
149.09682	0.3
157.10127	0.8
159.62410	0.3
175.11086	0.4
181.04736	0.7
184.07376	1.4
185.04185	4.1
185.07904	0.3
193.10745	0.3
193.12317	1.3
199.05811	0.6
199.13309	0.4
201.03738	1.5
201.14819	0.6
203.05353	0.6
211.13356	0.8
221.11490	0.5
241.06787	0.6
243.08371	3.7
243.10551	0.4
251.12553	3.4
265.14197	0.4
267.09082	0.4
268.84290	0.4
277.14227	0.5
285.09869	0.6
285.16953	0.4
291.15720	1.4
301.08926	10.6
301.12289	0.6
307.15109	0.7
313.09195	0.5
315.10422	2.2
321.16400	0.4
329.12247	0.5
341.11984	1.0
343.13638	0.5
349.16156	2.6
355.13635	1.0
357.15317	0.9
363.17896	0.9
367.17197	0.8
371.16888	0.6
373.10974	3.4
383.16693	2.1
385.11099	0.4
385.18277	5.2
387.12772	1.1
395.16821	1.8
413.17850	0.7
415.15836	0.6
429.17523	1.4
433.25439	1.8
439.19293	1.5
441.21191	0.8
443.18906	3.7
444.19330	0.5
457.20563	1.1
467.18964	1.3
469.20410	10.2
470.20810	0.7
479.25983	0.5
483.22305	0.6
485.19675	3.4
499.21155	2.2
511.21573	0.6
527.28253	0.9
528.21777	3.3
541.22467	4.9
555.24628	1.2
569.25037	2.1
583.30499	1.2
597.28503	0.4
611.30383	3.3
612.31177	2.4
625.31689	0.5
641.31079	1.5
651.32880	0.6
653.31018	0.7
667.33228	2.8
695.31787	2.6
696.33142	0.6
713.32733	100.0
714.32898	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	713.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05505	1.6
57.03427	1.7
58.53007	0.5
61.02919	4.1
67.05489	3.9
69.03407	3.3
69.07066	1.0
70.49183	0.7
71.04974	1.1
73.02909	3.8
79.05482	3.0
81.03411	5.7
81.07038	3.7
82.66244	0.6
83.04980	1.3
83.08632	1.8
85.02899	5.6
91.03946	2.9
91.05472	3.2
93.07051	3.6
95.04988	2.2
95.08599	1.4
97.02879	4.1
101.02392	1.5
104.31371	0.6
105.07034	2.3
107.04991	1.2
107.08606	2.3
109.02866	1.2
109.06546	0.8
109.10184	1.2
111.08029	0.8
113.62027	0.5
117.07037	0.7
117.16202	0.6
119.08578	2.4
121.10146	1.4
123.08063	1.0
127.03922	1.5
129.05521	1.2
131.08530	1.3
133.10149	1.9
135.11681	0.7
137.09599	0.6
145.10146	0.7
147.11728	1.4
149.09598	0.6
157.10153	1.5
163.11154	0.8
173.01227	0.6
175.11214	0.9
181.04759	0.9
185.04230	2.2
193.12363	1.8
201.03839	0.6
211.13287	1.2
221.11537	0.7
225.63629	0.5
243.08372	3.2
249.10927	0.9
251.12430	3.2
277.14127	0.7
290.17682	0.7
301.08871	5.4
315.10620	1.3
349.16223	1.6
367.17191	0.9
369.15445	0.9
373.11008	1.7
383.16718	0.8
385.18347	3.4
395.17084	1.8
413.17807	1.6
429.17386	2.7
433.25793	0.8
439.19678	2.2
441.20605	0.7
444.19650	0.8
467.19061	3.3
469.20377	11.4
479.26450	0.7
485.19543	2.9
499.21451	0.9
513.26563	1.2
524.67194	0.6
539.28448	1.1
541.22113	2.6
557.29608	0.7
569.25537	1.1
583.30859	3.5
611.30432	2.3
612.31396	1.1
623.30176	0.7
641.31299	7.0
667.32898	9.4
668.33765	0.7
695.32037	4.9
713.32953	100.0
714.33356	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	713.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32466	9.3
69.32887	14.3
78.99834	3.3
91.05466	4.8
108.88728	4.7
117.03363	9.0
119.04927	5.5
123.51763	3.6
145.02817	18.3
147.04402	19.7
149.69870	3.7
177.05408	32.1
205.04733	4.0
288.92636	3.6
553.31213	4.3
561.96759	4.1
713.34906	100.0
714.34998	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	713.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01873	0.5
55.05493	0.4
57.03435	0.9
57.04955	0.3
61.02914	3.8
67.05499	3.3
69.03424	1.6
69.07059	1.0
71.04986	0.9
73.02908	3.3
79.05487	2.7
81.03407	3.0
81.07050	3.5
83.04976	0.6
83.08617	1.1
85.02901	3.1
85.06523	0.7
87.04482	0.4
91.03959	1.6
91.05447	2.6
93.07011	3.5
95.04978	1.0
95.08601	1.0
97.02874	3.4
97.06544	0.6
99.04457	0.8
101.02371	1.5
103.04013	0.5
105.07034	1.3
107.08598	2.5
109.02802	0.4
119.08576	0.8
121.10157	2.5
127.03941	1.1
131.08569	1.0
133.10164	1.2
135.11710	0.7
147.11685	0.7
149.09663	1.2
149.13225	1.7
157.10164	0.6
159.11703	0.8
175.11157	0.5
193.12303	0.8
195.13773	0.6
225.14749	0.5
235.13161	1.0
243.08240	2.4
267.15909	0.5
269.17383	0.5
283.15134	2.5
291.15646	0.4
339.17612	0.6
453.20853	9.7
453.26733	0.6
469.20718	0.6
501.23022	8.5
533.31201	0.5
713.37097	100.0
714.37549	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	713.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88448	0.5
53.03940	0.7
54.15180	0.5
55.01852	0.6
55.05519	1.1
57.03434	2.4
61.02925	5.0
67.05505	4.7
69.03424	3.8
69.61800	1.2
69.62201	1.5
71.04980	4.2
73.02908	4.7
79.05502	2.0
81.03410	3.4
81.07053	5.8
83.04998	0.8
83.08639	1.5
85.02900	5.9
85.06541	0.6
86.37459	0.6
91.03947	3.6
91.05477	3.8
93.07029	2.6
95.04979	1.8
95.08601	1.4
97.02888	4.2
97.06556	0.9
98.23387	1.1
98.59989	0.5
99.04460	1.1
100.17555	0.5
101.02398	1.7
103.03958	0.6
105.07053	2.5
107.04929	0.6
107.08607	2.0
108.89874	0.6
109.02853	0.7
109.10192	1.3
111.08048	0.9
117.07031	0.6
119.08595	1.3
121.10184	1.1
123.11714	0.8
127.03973	1.6
129.05518	0.5
131.08643	1.1
133.10127	2.8
135.11710	1.0
147.11740	0.9
149.09628	0.9
149.13338	0.7
151.11188	1.1
157.10178	0.6
160.88901	0.6
185.04205	1.1
187.13397	0.6
193.12398	1.0
203.05183	0.7
205.83644	0.5
243.08369	2.9
251.12617	1.3
257.17538	1.0
267.15625	1.1
277.88193	0.6
330.22614	0.6
441.20984	0.6
453.21045	1.3
469.20511	5.4
485.23547	8.1
641.31201	2.9
667.33246	1.1
713.37134	100.0
714.37549	7.6
724.30292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.27398	1.9
55.01844	3.0
55.05496	5.4
62.40770	1.8
62.68531	2.1
63.26020	1.9
65.03944	3.0
67.05502	7.2
69.03413	6.4
69.07059	41.0
69.45669	10.4
70.10345	1.9
70.53107	1.9
71.05009	2.7
72.29097	2.7
79.05479	13.6
81.03398	6.3
81.07054	36.7
83.04969	3.3
85.02891	10.3
85.06632	2.0
87.00785	2.3
91.05463	11.8
93.07038	13.9
95.04953	9.3
95.08591	16.2
97.02870	4.8
97.06512	22.6
99.08073	9.4
105.01847	2.8
105.07010	20.2
107.04956	2.6
107.08574	21.8
109.02856	2.7
109.06496	5.0
109.10168	10.8
111.04401	2.3
111.08078	2.4
117.06973	6.8
119.04945	2.9
119.08570	11.4
121.06476	7.4
121.10136	7.2
123.04477	2.4
123.08063	15.7
123.11663	2.3
125.09634	15.9
127.03910	3.4
127.11159	8.4
129.06993	3.8
131.04890	7.1
131.08548	11.1
133.06453	5.1
133.10130	8.2
134.36577	2.1
135.08081	4.3
135.11658	3.9
137.05956	26.2
137.09552	4.0
142.07779	3.7
143.08560	6.7
143.10660	9.2
145.06407	4.1
145.10124	16.9
147.08041	6.5
147.11707	11.3
149.05891	4.3
149.09602	3.9
149.13255	2.5
151.03885	5.2
151.07527	11.7
153.01778	4.2
155.08508	5.6
157.10109	6.7
159.08009	3.0
159.11700	7.7
161.05933	4.8
161.09604	7.7
161.13254	4.1
163.07562	4.2
165.05437	2.4
165.12773	17.7
167.07047	28.4
167.08415	2.6
171.07993	5.1
171.11717	5.6
173.09589	20.1
173.13280	5.9
175.07536	4.6
175.11136	23.8
177.09161	5.5
179.14307	5.0
181.06386	2.2
183.11682	4.4
185.13217	5.1
187.11131	3.2
187.14844	4.8
189.09122	3.3
189.12729	4.0
191.06999	3.9
191.10672	7.1
193.08588	7.1
193.12227	8.6
195.11699	4.5
197.13203	6.4
199.07451	2.2
199.11176	2.6
199.14764	3.6
201.12691	4.1
209.13229	4.4
211.14803	2.9
212.11955	5.2
213.12778	4.3
215.14308	15.2
221.09732	2.3
225.12784	2.6
227.14340	12.4
231.13710	4.8
233.15331	21.5
238.43024	2.2
239.17963	2.8
249.16496	4.0
253.08582	4.3
257.18936	2.4
259.17014	3.0
263.16409	3.4
267.17422	7.5
269.14990	2.2
269.18967	7.3
279.20984	2.8
285.18497	17.4
287.17047	4.1
287.20032	48.3
288.20151	2.7
291.09979	2.4
297.22101	3.5
302.09372	2.6
303.19443	3.0
309.11084	5.1
313.11026	2.5
313.14349	4.1
313.21503	9.8
315.23013	12.2
325.21658	3.3
327.12134	4.1
331.22473	11.3
337.21597	4.5
339.12564	2.9
341.13739	9.7
353.13821	3.3
355.22678	26.2
359.14841	4.3
371.14838	3.8
393.27737	17.0
411.28903	88.9
411.34381	4.6
412.29166	6.8
429.29968	100.0
430.30252	6.2
447.30884	32.5
465.32834	2.2
523.22852	4.0
533.21704	6.4
551.22131	5.6
685.27924	3.6
708.95026	2.8
713.42224	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	714.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
57.03427	1.3
61.02926	1.9
64.48708	0.5
67.05497	1.4
69.03427	4.4
71.04972	0.5
73.02917	1.0
79.05478	1.3
80.05000	0.5
81.03413	2.1
81.07050	1.3
85.02896	4.9
87.04453	0.7
91.05494	1.2
93.05779	0.9
93.07049	2.4
94.06560	4.3
95.04977	1.1
95.07346	1.2
95.08626	0.6
96.08128	3.3
97.02888	2.5
99.04461	1.2
103.05469	0.9
105.07044	1.1
107.07298	2.3
108.04498	0.9
108.08109	6.8
109.02879	1.0
109.10181	0.8
110.06069	0.6
110.09676	5.8
118.06551	0.7
119.07272	0.5
119.08583	0.5
120.04475	2.0
120.08082	6.4
122.06016	5.9
122.09669	4.5
124.07613	0.8
127.03937	1.7
131.07213	0.5
132.08092	0.7
134.09625	0.6
136.07561	10.0
137.06041	0.8
137.08354	0.8
138.05495	0.8
138.09114	9.0
144.08051	0.4
146.05974	1.1
147.08093	0.6
148.07544	5.8
148.08646	0.7
150.09111	7.4
152.07060	2.3
153.01811	0.6
154.04926	0.6
160.07599	0.6
164.07054	2.0
166.08614	20.4
172.03860	0.7
174.05511	0.8
176.10654	0.6
180.10187	1.1
182.11781	0.7
190.05011	1.0
194.08168	1.0
196.09816	1.0
197.10779	1.2
209.10811	1.2
211.12332	1.2
212.09482	1.0
213.10258	0.9
219.09093	0.6
221.10785	1.1
222.07913	0.5
223.08711	1.9
223.12296	1.7
224.09474	1.6
225.10194	3.9
226.10985	0.9
227.11725	2.3
230.61313	0.5
233.10793	1.8
235.08684	1.9
235.12328	0.7
236.09482	1.9
237.10185	11.7
238.10977	3.1
239.08131	1.5
239.11771	4.4
241.09770	1.0
247.08783	1.0
248.09410	2.5
249.10184	8.5
250.10910	4.0
251.08083	4.0
251.11749	9.4
252.08919	1.0
252.12497	2.2
253.09772	7.2
253.13216	1.1
254.10431	0.8
255.11188	3.6
259.94910	0.5
261.10217	5.9
262.10974	1.6
263.11792	7.5
264.08923	1.5
264.12308	0.8
265.09677	15.4
265.13071	0.9
266.10507	3.2
266.14233	0.5
267.11285	7.5
267.14401	0.5
267.15363	0.5
268.11899	0.7
269.09317	0.6
269.12726	1.5
271.10678	2.5
273.12567	0.5
274.07437	0.5
276.08881	0.8
277.09698	4.0
278.06729	1.2
278.10529	5.2
279.07739	3.7
279.11319	16.9
280.12036	3.2
281.09277	3.7
281.12872	2.6
282.10034	1.2
283.10718	7.0
284.11530	0.9
285.12225	1.2
287.13879	1.0
289.09668	14.1
290.10413	1.7
291.11325	5.6
292.11972	1.0
293.09274	5.9
293.12924	5.2
294.10040	4.2
294.13257	1.1
295.10861	4.9
295.14114	0.8
296.11450	3.8
297.09100	0.8
297.12384	3.8
298.09628	1.1
298.12857	1.0
299.10318	2.0
299.13513	0.6
305.09149	0.5
306.09888	1.0
307.10736	5.0
308.11609	1.9
309.12244	5.5
310.13025	2.0
311.10306	7.2
311.13962	3.3
312.10934	3.2
313.11771	3.6
314.12592	1.8
317.09222	1.3
319.10788	0.7
321.08844	0.6
321.12387	0.7
323.10260	2.1
323.13956	3.1
324.11084	3.5
325.11798	5.8
326.12512	3.6
327.13312	7.2
328.14255	0.8
335.10220	20.5
336.10867	1.7
337.11783	4.0
339.09744	2.1
339.13354	53.0
340.10559	4.3
340.13950	1.9
341.11349	5.2
341.15100	1.9
342.16080	0.7
344.17517	0.8
346.19162	0.5
349.11896	0.8
352.10477	1.8
353.11276	14.0
354.12033	5.7
355.12820	17.5
356.13425	1.2
367.12833	39.1
368.13330	2.2
370.15662	1.0
371.12183	0.7
372.17181	0.6
377.28613	0.6
381.14145	0.5
387.15802	0.8
399.15448	0.7
400.16696	1.0
401.17026	0.8
402.18051	0.7
412.16833	0.6
413.30383	1.3
414.18301	0.9
416.19724	0.7
418.17953	0.7
428.15787	0.7
429.16788	0.6
432.19269	1.5
442.17639	1.4
444.19238	1.4
460.18503	4.8
463.26266	0.6
470.16922	1.0
472.18951	1.4
474.20322	1.4
477.54794	0.6
478.19797	1.5
479.20685	1.0
488.18094	30.3
489.18445	1.7
490.19745	0.9
492.21567	1.6
502.19391	1.1
506.11508	0.8
506.19150	18.8
507.19662	1.7
520.20728	22.1
521.20972	1.5
534.19061	1.0
548.19971	1.1
552.23328	0.7
622.23907	2.1
632.22638	1.0
650.23358	14.7
651.23730	1.3
654.26367	1.3
664.24500	1.3
682.25952	100.0
683.26343	8.5
714.31842	1.8
715.35010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
57.03418	1.0
58.16613	0.5
61.02926	1.0
65.03968	0.7
69.03428	4.9
69.31902	2.4
69.32307	0.9
71.04997	0.6
73.02922	1.2
79.05501	1.2
79.67098	0.5
80.05019	0.6
80.86929	0.6
81.03433	2.4
81.07054	1.0
84.06475	0.6
85.02894	5.1
87.04450	0.9
91.05478	1.9
93.05802	0.7
93.07051	2.2
94.06574	2.6
95.04990	0.9
95.07349	1.0
95.08591	1.1
96.08107	3.8
97.02893	2.2
98.23451	1.4
99.04446	0.7
105.07027	0.6
107.04933	0.7
107.07343	1.3
108.08115	7.1
109.02895	1.1
109.10146	1.0
110.09657	5.4
120.04430	2.9
120.08079	6.5
122.06026	7.3
122.09644	4.6
127.03951	2.0
132.08122	0.8
133.10173	0.6
136.07542	10.9
136.08469	0.9
137.05905	0.7
138.05559	0.8
138.09120	10.0
138.10152	0.8
146.06026	2.0
148.07559	6.0
150.09132	6.3
152.07089	1.5
153.01924	0.7
164.07074	1.6
166.08612	17.8
172.03955	1.0
176.10678	0.9
178.42075	0.6
180.10252	1.2
190.05051	1.7
194.08185	1.8
195.86935	0.6
197.10646	1.1
198.11432	0.7
209.10777	1.2
210.11467	0.7
211.12361	1.7
212.09529	0.9
213.10187	1.2
223.08746	1.9
223.12363	1.6
224.09326	1.3
225.10214	3.7
226.11017	0.7
227.11823	1.9
233.10791	1.7
235.08688	1.9
236.09468	1.3
237.10204	10.7
238.10979	2.5
239.08151	1.4
239.11702	5.3
245.13040	0.8
247.08594	0.7
248.09444	2.6
249.10205	8.4
250.06845	0.7
250.11101	2.7
250.20627	0.6
251.08147	3.1
251.11784	10.7
252.08890	1.0
252.12552	2.1
253.09785	7.8
253.13412	1.1
254.10632	0.7
255.11189	3.7
261.10223	5.9
262.11066	2.7
263.08701	1.1
263.11768	7.2
264.08994	1.6
264.12399	1.3
265.09686	14.4
266.10471	2.7
267.11237	7.7
268.12088	1.1
269.09177	1.0
269.12946	1.3
271.10815	2.3
273.12402	1.1
276.09055	1.2
277.09668	4.5
278.06567	1.0
278.10556	5.7
279.07843	2.7
279.11215	20.5
280.11987	3.1
281.09250	3.6
281.12860	3.0
282.09991	1.4
283.10791	6.7
285.12317	1.4
287.13931	0.9
289.09641	14.1
289.12619	1.1
290.10446	2.0
291.11191	6.1
292.12109	0.7
293.09265	6.9
293.12897	6.3
294.10043	5.1
294.13190	1.4
295.10718	4.9
295.13379	0.5
296.11539	3.7
297.12192	4.1
299.10535	1.9
300.14926	0.6
306.09906	1.6
307.10703	5.0
308.11548	2.5
309.08905	0.9
309.12283	6.1
310.12982	1.3
311.10309	6.6
311.13965	3.5
312.10938	3.9
313.11813	2.9
314.12561	1.4
317.09213	1.7
319.11108	0.7
321.08710	0.6
322.09229	0.7
323.10245	2.6
323.13940	2.7
324.10962	3.4
325.11780	6.1
326.12411	3.7
327.13324	6.6
328.14255	0.8
329.14954	0.8
335.10202	19.1
336.10815	1.7
337.11792	2.8
339.09872	2.0
339.13367	53.3
340.10257	4.0
340.13831	3.0
341.11340	6.1
341.14883	1.2
352.10571	1.5
353.11273	15.2
353.15247	1.2
354.12064	6.3
354.16055	0.8
355.12848	19.3
356.13358	1.2
367.12851	44.4
368.13373	2.4
371.12646	0.6
384.17178	0.7
390.18179	0.8
395.29514	0.9
399.15475	0.7
413.30640	1.7
418.17535	0.9
428.16388	0.7
431.31570	0.9
432.19324	2.0
442.17667	1.3
445.16928	0.8
460.18695	5.0
461.19489	0.8
470.17117	1.2
472.18707	1.0
474.20422	1.2
478.19861	2.2
479.20053	1.0
488.18088	30.1
489.18463	2.6
492.21548	1.3
497.15805	0.8
502.19626	1.8
506.19159	19.1
507.19528	1.6
520.20709	24.3
520.28430	1.3
521.20679	1.2
532.71790	0.7
534.18848	1.7
537.59460	0.8
548.20392	0.9
622.23712	2.0
632.21967	1.7
650.23328	15.2
651.23883	1.3
654.26263	2.2
664.24805	1.3
682.25952	100.0
683.26123	11.8
714.30084	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01874	0.6
57.03431	1.2
61.02899	1.0
61.28118	0.5
63.24194	0.7
69.03423	4.9
79.05475	1.0
80.05035	0.7
81.03420	2.2
85.02900	5.0
91.05463	1.4
93.05786	1.0
93.07016	1.8
94.06541	4.8
95.07333	0.9
95.88634	0.7
96.08108	4.2
97.02880	2.1
97.06533	1.1
99.04453	0.7
105.07041	0.8
107.07370	1.6
108.04446	0.9
108.08117	7.4
109.02871	0.9
110.09668	5.6
120.04498	1.9
120.08092	5.3
122.06026	6.4
122.09656	4.0
122.70145	0.6
124.07608	1.6
127.03902	1.0
136.07570	11.5
137.05981	1.7
138.05493	0.9
138.09131	8.9
138.47018	0.6
146.05992	1.7
148.07556	5.0
150.05457	0.6
150.09129	7.6
152.07095	2.0
153.01799	0.7
159.11461	0.6
164.07103	1.8
166.08612	21.0
167.07149	0.6
168.10164	0.7
172.03914	0.9
174.05518	0.8
174.08992	0.6
177.08952	0.6
180.10260	1.0
180.48004	0.7
184.09909	0.7
186.05598	0.6
190.04932	1.2
191.05461	0.8
193.08643	0.7
194.08139	1.6
197.10748	1.0
209.10753	1.4
211.12321	1.1
212.09377	0.9
213.10231	0.8
222.11926	0.5
223.08685	1.1
223.12296	1.2
224.09517	1.3
225.10268	3.3
226.10933	1.1
227.11781	1.6
231.03993	0.7
233.10811	1.8
235.08716	2.1
235.12230	0.9
236.09470	2.0
237.10167	11.6
238.10999	2.5
239.08179	1.3
239.11734	4.8
241.09692	1.2
247.08731	1.0
248.09422	2.4
249.10187	7.9
250.10902	3.6
251.08160	2.9
251.11777	8.2
252.09099	1.3
252.12515	1.6
253.09737	5.8
253.13481	1.2
254.10326	1.0
255.11227	3.3
261.10168	6.5
262.11017	1.6
263.08890	1.0
263.11734	7.7
264.08871	1.3
264.12656	0.8
265.09729	15.8
265.12985	1.0
266.10516	2.6
266.13803	0.6
267.11221	9.9
268.11899	1.1
269.09351	1.0
269.12857	0.9
271.10822	1.3
273.12518	0.9
277.09708	4.7
278.07288	1.1
278.10446	6.7
279.07809	3.6
279.11331	18.2
280.12009	3.3
281.09277	4.2
281.12817	3.3
282.09912	1.3
283.10785	7.7
284.11600	0.8
285.12320	1.5
287.13904	1.3
289.09683	11.5
290.10492	1.6
291.11188	4.9
292.11847	1.2
293.09229	6.3
293.12936	5.6
294.09970	4.8
295.10779	4.1
295.13913	0.8
296.11600	2.8
297.12268	4.3
298.12759	0.9
299.10217	1.7
305.38849	0.7
306.09860	1.0
307.10794	5.3
308.11508	1.8
309.08899	1.1
309.12216	5.9
310.13089	1.4
311.10287	6.2
311.13907	2.8
312.10941	4.1
313.11801	2.5
313.30365	0.7
314.12592	1.4
316.14645	0.7
317.09219	1.8
317.85104	0.7
319.10626	0.7
321.08838	1.1
323.10236	2.1
323.13956	3.4
324.11075	3.8
325.11841	5.5
326.12555	4.3
327.13287	9.5
328.13535	3.0
335.10229	20.2
336.10751	1.6
337.11728	3.3
339.13361	53.5
340.10312	3.5
340.13992	2.7
341.11371	4.8
341.15103	1.8
352.10416	1.8
353.11261	13.4
353.15262	1.0
354.12000	5.9
355.12833	18.6
355.16934	1.2
357.14627	0.7
367.12851	37.5
368.13290	2.1
372.17014	1.1
386.15231	0.9
399.15677	1.0
412.10336	0.7
432.19135	1.7
442.17767	1.9
444.19193	1.4
460.18723	4.5
470.17316	1.3
474.20392	1.0
478.19507	1.5
479.20496	1.1
488.18121	26.8
488.25162	1.5
489.18863	1.6
492.21225	1.6
502.19910	1.4
506.19153	17.2
520.20758	16.8
534.18793	1.6
548.20367	0.7
560.58209	0.7
586.21796	1.0
622.23938	1.8
632.22546	1.6
650.23279	10.2
651.23438	0.9
654.26563	2.1
664.24872	1.1
682.25977	100.0
683.26501	6.8
714.28479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75506	0.4
54.77389	0.3
55.11535	0.4
62.98618	0.4
70.12751	0.5
70.13063	0.7
127.90936	0.4
164.22926	0.4
185.04265	1.9
206.05476	3.7
207.06282	6.7
369.11526	100.0
370.11816	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	715.2741
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
51.02372	0.5
53.03936	0.4
57.78659	0.4
63.02363	1.0
66.04691	0.6
69.66295	0.4
69.66626	1.4
78.04678	0.9
79.05476	0.8
88.55908	0.4
89.03906	11.6
91.05479	0.8
95.04960	1.8
98.22892	1.0
98.23448	0.5
103.05451	40.2
104.05787	1.1
105.04543	0.5
105.07017	4.5
106.04186	1.0
117.03365	30.0
122.03615	0.9
124.05195	0.8
131.04912	81.7
132.05246	1.7
133.06436	3.7
134.03667	2.2
135.04411	2.3
137.05959	13.5
145.02831	71.2
146.03163	1.8
149.05962	12.2
151.03856	3.3
163.07527	34.7
164.07913	0.6
165.09108	3.9
177.05446	100.0
178.05792	3.4
186.05493	1.8
205.04860	0.7
222.06654	0.5
223.09561	1.2
226.97932	0.4
245.93861	0.5
247.05891	0.6
265.08777	0.9
268.07288	2.5
279.06424	1.6
283.09573	4.0
285.69077	0.5
293.08136	0.6
296.06970	0.5
297.11292	0.5
311.09100	17.1
312.09427	0.8
353.10037	3.2
357.13263	40.1
358.13605	2.0
369.13193	0.8
491.16531	0.7
493.18515	0.9
535.18842	0.7
591.22076	0.8
621.80042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3268
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
52.93805	0.5
55.05499	0.6
57.03434	1.0
60.73022	0.4
61.02917	1.8
63.71647	0.4
67.05490	2.0
69.03426	1.1
69.07083	0.4
71.04971	0.5
73.02905	0.9
79.05482	0.9
81.03401	0.6
81.07044	1.6
82.79659	0.5
83.08621	0.5
85.02895	2.1
85.06563	0.4
91.03941	1.1
91.05473	0.9
93.07045	1.2
95.08596	0.9
97.02887	1.7
97.06527	0.5
98.22704	1.2
105.07024	0.6
107.08605	1.0
109.10158	1.6
121.10114	0.7
127.03938	0.9
133.10150	0.6
184.07224	0.4
198.65639	0.5
228.87120	0.6
243.08569	0.8
255.09026	0.9
285.10172	0.6
301.08987	1.2
359.61520	0.5
385.18109	0.6
390.40265	0.4
394.66196	0.5
397.18344	0.5
406.64719	0.4
413.17908	1.0
439.19382	1.1
453.20764	0.9
455.16815	0.5
469.20703	0.5
471.21826	1.8
473.17340	0.7
487.21445	0.6
625.31989	7.0
637.31720	3.2
643.32910	1.0
651.33521	1.6
669.33636	2.4
697.33508	1.5
714.36780	0.7
715.33124	100.0
716.33246	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	715.3291
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
51.22306	0.3
56.96554	0.5
66.09504	0.3
69.82581	1.3
91.05491	0.5
98.22769	0.4
98.97547	0.7
100.06986	0.4
105.07037	1.1
106.58984	0.3
116.98590	0.5
119.04961	1.0
131.00211	0.4
133.06511	1.0
147.04414	2.1
149.01181	0.8
158.99681	0.5
161.01215	0.3
161.05992	1.0
177.05548	0.7
193.08553	1.7
224.86734	0.3
270.58722	0.3
293.05399	0.7
304.08286	0.4
317.17822	0.4
321.05045	1.1
357.13470	0.7
401.11911	0.4
455.10748	0.8
625.32098	1.1
715.32898	100.0
716.33191	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	715.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01846	0.4
55.05503	0.7
55.09200	0.4
57.03428	1.6
61.02919	4.1
67.05500	2.7
69.03425	2.3
69.07063	1.4
71.01368	0.5
71.04995	0.7
73.02917	2.7
74.12775	0.4
79.05489	2.5
81.03413	5.3
81.07054	3.1
83.02659	0.3
83.04980	0.8
83.08606	1.6
85.02891	5.0
87.04464	0.4
89.82703	0.4
91.03928	2.3
91.05462	2.8
93.07010	2.1
95.04983	2.0
95.08630	1.1
97.02872	3.4
97.06487	0.6
99.04479	0.5
101.02380	1.7
105.07037	2.1
105.07687	0.4
107.04981	0.7
107.08594	1.1
109.02898	0.7
109.10172	0.4
111.04440	0.4
111.08047	0.5
119.08601	1.6
121.09418	0.4
121.10104	2.3
121.43666	0.4
126.73759	0.4
127.03929	1.2
129.07013	0.9
131.08580	1.2
133.10149	1.8
134.41928	0.4
139.11186	0.6
147.11716	1.0
149.09666	1.3
157.10156	1.4
168.26711	0.4
175.11218	1.2
180.00339	0.5
193.12195	2.0
203.05278	0.5
211.13365	0.8
225.11046	0.4
243.08446	2.2
251.12500	1.8
252.15887	0.5
267.15884	0.4
269.13632	1.2
443.18884	4.2
469.20422	10.7
470.20758	0.6
487.21515	4.4
491.77335	0.4
529.41644	0.5
541.22229	0.6
671.32471	2.3
697.33899	1.7
715.35010	100.0
716.35376	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	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.05506	1.0
57.03434	1.7
59.05002	0.5
61.02917	4.5
66.87271	0.4
67.05490	3.0
69.03413	2.4
69.07065	0.9
71.04996	1.3
73.02901	2.7
76.97200	0.3
79.05488	1.8
81.03408	5.0
81.07057	2.6
83.04967	1.1
83.08613	0.8
84.46902	0.4
85.02900	4.8
85.06541	0.7
87.04462	0.5
91.03945	3.1
91.05472	3.2
93.07030	2.4
95.04967	1.5
95.08595	0.7
97.02887	4.0
97.06550	0.7
99.04461	0.7
101.02390	1.3
104.46268	0.4
105.07012	2.3
107.08586	2.1
109.02892	0.8
109.06488	0.4
109.10137	2.1
119.08597	1.6
120.38142	0.4
121.10165	1.4
123.11669	0.4
127.03912	1.3
129.06960	0.6
131.08540	1.1
133.10110	4.5
145.10120	0.4
147.11668	0.7
149.09630	1.0
151.11221	1.5
157.10109	0.6
175.11150	0.7
182.88744	0.4
185.04234	1.2
193.12288	1.4
203.05376	0.4
211.13248	0.5
224.71077	0.4
237.11082	1.4
243.08470	1.5
253.14394	0.7
255.06776	0.4
267.15988	1.4
268.16434	0.4
283.15298	1.6
301.08984	0.4
451.19354	1.5
453.20789	0.4
455.18811	7.6
469.20535	1.3
480.41449	0.4
501.22992	6.3
502.23550	0.6
613.30725	0.4
625.31946	0.7
665.31348	6.2
678.26294	0.4
697.33673	4.0
715.34857	100.0
716.35205	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	716.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03926	1.6
55.01870	4.5
55.05505	27.0
57.03432	11.2
59.04994	4.0
59.98021	0.7
61.02923	3.7
63.40375	0.8
65.03931	1.9
65.57420	0.9
67.05498	99.5
68.05838	0.9
69.03420	8.6
69.07060	23.7
71.04980	4.3
71.17659	0.9
73.02888	0.9
77.46153	0.7
79.05485	22.3
81.03412	4.5
81.06557	1.5
81.07047	30.4
81.68306	0.7
83.04974	4.5
83.08617	11.4
85.02897	3.1
85.06528	3.1
91.03971	1.1
91.05471	18.6
92.05769	0.8
93.07037	18.8
95.04962	8.4
95.08595	13.2
97.02883	8.5
97.06509	2.7
97.10161	10.6
103.05400	0.9
105.04514	1.4
105.07031	13.5
107.04935	6.5
107.08585	13.8
109.06507	3.3
109.10146	78.4
110.10460	2.1
111.08106	4.4
117.07019	5.8
119.04916	1.4
119.08571	15.8
121.06503	2.8
121.10126	4.3
123.08053	3.0
123.11685	1.1
125.09615	9.8
127.11198	0.9
129.06961	2.8
131.08566	6.4
133.06467	3.6
133.10115	6.2
134.07318	1.0
135.08058	2.6
135.11719	1.6
137.09590	4.5
142.07735	1.1
143.08556	3.3
145.10110	3.6
147.08049	5.4
147.11674	2.4
149.09534	1.2
149.13235	1.9
151.11160	2.8
155.10675	4.3
157.10098	2.9
159.07991	1.1
159.11653	2.9
161.09660	1.2
163.11137	1.7
165.09070	1.8
169.10120	1.1
171.10114	0.7
173.11713	18.1
175.11153	2.4
177.12689	1.7
184.07367	2.6
189.11209	3.2
193.12259	1.0
205.12241	1.8
211.13217	1.8
223.13268	17.2
227.12776	5.5
229.14319	72.8
230.14584	1.7
245.18918	0.9
249.14951	2.8
253.14368	4.0
255.17291	0.9
261.14822	1.0
267.15912	2.0
273.18457	14.5
291.19510	94.9
292.19873	3.3
347.22095	3.1
361.39639	0.8
365.23212	42.5
366.23553	2.3
421.25742	1.3
425.24866	1.1
439.27206	1.9
442.03687	0.9
501.32019	1.6
519.33118	100.0
520.33557	6.9
537.33710	0.8
716.43347	1.4
717.45325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36502	0.9
53.03941	1.7
53.58462	0.9
55.01870	3.5
55.05510	19.5
55.05773	1.0
55.62597	0.9
57.03433	9.9
57.07071	5.7
59.04994	1.7
59.54881	0.9
60.47237	0.9
61.02922	3.6
65.40389	1.0
67.05499	20.2
69.03414	2.8
69.07061	16.7
69.12457	6.9
71.05000	2.0
71.08636	2.7
73.02917	1.5
79.05483	15.5
81.03397	6.7
81.07052	22.3
83.01347	4.0
83.04970	5.6
83.08621	16.3
85.02915	5.5
85.10194	1.4
91.03972	1.7
91.05472	7.6
93.07037	19.5
93.07607	1.5
95.04977	4.1
95.08592	14.3
97.02892	3.7
97.06534	4.0
97.10165	6.4
98.22714	2.4
99.04475	1.1
105.07033	5.6
107.04942	4.9
107.08585	11.3
109.06508	4.4
109.10163	3.8
111.04437	1.5
111.08096	3.6
111.11752	2.0
117.07005	4.6
119.08545	5.4
121.06462	1.4
121.10147	10.9
123.08038	4.7
123.11688	2.2
125.09592	1.7
127.03917	1.2
128.88693	1.1
131.08549	2.2
133.10155	1.2
135.08087	1.5
135.11684	11.3
137.09598	1.6
144.38872	1.2
144.40056	1.1
145.10097	7.6
149.13277	2.4
153.12793	2.9
155.08534	1.4
163.11171	14.8
173.09650	2.1
181.12224	2.0
184.07344	5.4
185.39558	1.1
191.10706	1.0
209.11661	4.9
220.34496	1.0
227.12808	3.4
234.47520	1.2
237.22125	1.5
283.15369	100.0
284.15692	2.8
311.25760	70.5
312.26141	2.7
335.25900	1.3
439.19324	1.8
519.36792	44.3
520.36859	3.4
717.41638	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57738	0.5
53.03917	1.5
55.01872	4.9
55.05509	23.5
55.05766	0.9
57.03434	11.7
57.07072	6.4
59.04954	2.4
61.02924	4.6
66.11607	0.6
67.05498	21.2
69.03407	1.0
69.07064	25.8
69.09431	2.1
69.09852	2.2
71.04968	2.9
71.08592	2.5
73.02882	1.6
75.61429	0.6
79.05486	16.1
80.05827	0.5
81.03423	6.6
81.07052	28.2
83.01332	6.3
83.04977	7.8
83.08612	22.9
85.02888	7.6
85.06519	1.3
85.10155	1.8
86.09685	1.6
91.03919	1.4
91.05469	8.7
93.07037	22.2
95.04978	5.2
95.08598	18.9
97.02901	3.7
97.06527	5.0
97.09605	0.7
97.10161	9.2
98.22691	1.4
99.04433	1.6
99.08057	0.8
103.26383	0.6
105.04478	1.0
105.07014	5.8
107.04953	4.5
107.08582	11.4
109.06510	3.8
109.09549	0.6
109.10148	6.7
111.04387	1.9
111.08076	3.1
111.11702	2.9
117.07017	5.2
119.08578	4.8
121.06477	1.6
121.10132	15.4
123.07425	0.5
123.08061	5.4
123.11673	2.4
124.99955	1.5
125.05954	1.4
125.09583	2.3
125.13194	0.7
127.03833	0.9
129.06956	1.1
130.07759	0.9
131.08514	1.6
133.10147	1.4
135.08026	1.6
135.10623	0.7
135.11678	12.5
137.09554	0.8
137.13219	1.9
138.80292	0.6
139.11200	1.3
145.06407	0.9
145.10112	9.7
147.08017	1.2
149.13271	3.3
153.12720	2.8
163.11168	14.1
163.14754	0.7
173.09583	2.1
177.16379	0.9
181.12257	1.6
184.07330	7.7
191.10635	2.2
195.00273	1.4
209.11668	4.6
219.21008	1.7
227.12804	3.9
234.47519	0.6
237.22098	2.7
283.15375	89.6
284.15707	2.2
311.25760	100.0
312.26099	4.1
317.17941	0.6
354.27582	0.7
519.36774	90.7
520.36987	6.4
544.36749	1.8
716.48859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95110	1.2
54.04049	1.3
55.01863	3.0
55.05511	22.3
57.03436	14.0
57.07069	7.2
61.02927	1.4
67.05161	2.2
67.05502	27.5
69.03409	1.6
69.06708	2.5
69.07061	29.1
69.84925	2.9
69.85323	2.4
71.04974	3.7
71.08641	6.5
79.05489	25.0
81.03400	1.9
81.07053	32.8
83.04966	6.5
83.08615	23.5
85.02912	2.4
86.09718	2.8
89.06033	2.6
91.05485	9.0
91.88144	1.3
93.07039	35.3
95.04958	7.9
95.08602	46.8
95.09209	2.5
97.02867	4.2
97.06519	5.6
97.10175	9.5
98.22704	1.7
99.04459	3.4
102.07780	1.3
105.07027	6.5
107.04941	7.7
107.07932	2.1
107.08594	29.1
109.06517	2.4
109.10136	9.6
111.04436	2.3
111.08073	3.4
111.11753	1.8
117.07020	7.9
119.08571	10.5
121.06492	5.8
121.10142	20.7
122.05823	1.5
123.11696	4.2
125.05985	2.3
125.09621	2.4
133.10126	1.9
133.63419	1.4
135.08015	1.8
135.11684	48.8
137.13251	1.5
139.07561	1.7
139.11258	1.4
145.10109	24.7
149.13272	3.1
163.11168	57.9
181.12219	10.0
184.07417	8.4
195.00249	2.3
209.11697	1.8
219.20976	1.4
227.12758	57.2
228.12799	1.4
237.22218	1.7
272.86591	1.6
283.15381	92.4
284.15808	3.1
308.53271	1.4
311.25763	100.0
312.26105	4.5
381.33069	1.3
431.93958	1.4
519.36780	91.5
520.37177	8.7
522.30560	1.6
544.36780	3.0
716.45428	2.4
717.47876	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	716.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01377	3.8
51.15913	3.6
55.05499	10.8
55.85473	3.9
57.03436	6.3
57.07067	19.3
67.05508	25.9
69.07055	9.3
69.22006	25.8
71.08617	12.4
77.59144	4.1
79.05477	34.5
81.07046	26.8
83.04994	4.4
83.08601	9.0
85.10134	7.4
85.30709	3.7
91.05470	23.4
93.07032	27.4
95.04944	9.1
95.08598	17.7
105.07046	13.0
107.08593	7.2
109.06468	5.2
109.10181	7.1
110.06676	4.0
119.08559	11.6
129.06960	9.6
133.10121	7.1
145.10193	5.8
147.11630	12.7
171.11684	12.0
184.07304	4.5
204.04755	4.3
207.13823	16.5
211.21161	5.2
248.69174	4.8
281.17496	44.8
313.27283	44.2
348.64206	4.2
437.97470	4.3
519.40363	100.0
732.21045	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	717.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54509	0.9
69.59293	3.2
79.05481	0.9
94.75359	0.9
96.82339	0.9
122.56403	0.9
321.05042	2.2
656.12817	1.0
691.31500	1.0
717.34406	100.0
718.35046	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	717.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77818	2.6
55.68235	2.9
57.03424	4.6
61.02922	7.2
67.05477	4.2
69.03423	7.4
69.07050	5.0
69.58858	6.1
69.59249	6.1
71.67891	3.2
73.02906	5.9
74.10758	3.0
79.05486	6.5
81.07045	8.8
85.02911	6.1
86.87800	2.8
87.29242	3.2
91.03956	6.5
91.05492	3.0
93.07032	5.6
95.08595	5.5
97.02905	3.6
107.08611	5.4
135.11740	5.8
142.38052	3.0
171.48148	3.0
202.42702	3.3
244.95547	3.6
282.71381	3.4
439.19595	5.7
519.29279	11.4
581.44525	3.9
717.41675	100.0
718.42310	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	717.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.7
53.03950	8.0
55.01868	20.7
55.05505	25.3
57.03433	8.8
57.07066	2.6
57.77145	1.0
65.03927	4.6
67.05498	58.4
69.03423	14.2
69.06704	2.2
69.07062	30.8
69.12059	7.0
71.04977	4.9
73.06548	2.0
77.03913	2.0
79.05483	64.3
81.03407	35.6
81.07047	67.4
83.04965	15.2
83.08604	10.6
85.02892	10.8
85.06528	2.1
86.09705	1.8
91.05470	87.9
93.07034	53.9
95.01315	9.9
95.04961	24.9
95.08598	36.1
95.09218	1.8
97.02892	8.4
97.06517	33.8
97.10149	2.5
98.23418	2.2
99.04439	3.3
99.08083	1.5
101.02361	1.7
103.05460	3.1
105.04552	5.7
105.07019	100.0
107.04939	23.0
107.08580	21.5
109.02872	4.4
109.06503	7.4
109.10133	8.6
111.04460	1.4
111.08086	4.3
115.05440	5.8
117.07010	26.3
119.04958	1.4
119.08566	53.7
120.08903	1.1
121.06503	7.9
121.10112	10.1
123.04383	2.8
123.08047	6.4
123.11687	1.7
125.09634	2.3
127.03886	4.0
127.07479	1.1
128.06201	6.6
129.05548	2.8
129.06987	16.6
131.04875	3.1
131.08553	30.1
132.09013	1.2
133.06483	5.5
133.10110	46.3
134.10449	1.1
135.08040	5.8
135.11668	8.8
137.09590	1.9
139.07506	2.6
141.06956	6.9
142.07791	1.4
143.08553	15.4
145.06485	8.6
145.10098	23.3
147.08029	4.9
147.11665	25.4
149.09610	7.4
149.13222	5.1
149.43166	1.1
151.11179	2.3
153.06972	1.6
154.07722	1.2
155.08572	5.1
157.06497	2.7
157.10109	8.1
159.08058	4.1
159.11687	15.9
161.09550	2.4
161.13243	8.3
163.11131	6.8
165.06975	1.8
165.09119	2.6
167.08525	3.4
169.10114	5.3
171.08063	3.6
171.11673	11.7
173.04492	7.4
173.09615	2.5
173.13196	5.3
175.11180	2.3
175.14845	1.5
177.12680	4.8
179.14247	14.4
181.10124	3.4
182.73315	1.2
183.11655	3.4
184.07336	3.1
185.09575	2.7
185.13223	3.6
187.11136	6.2
187.14842	1.4
189.12712	4.2
195.11644	1.9
195.13841	1.7
197.13139	2.4
197.76727	1.0
199.14850	1.1
201.12685	1.7
203.14323	1.2
205.12201	1.2
207.11906	1.6
207.13786	8.8
209.09526	1.1
211.14842	1.2
213.16302	1.7
221.15309	1.2
223.14784	1.6
229.19511	1.8
231.13857	1.3
233.15347	1.2
239.17905	2.7
241.16045	2.0
245.15366	2.3
247.20586	3.0
251.14337	3.8
257.15500	1.4
257.19019	7.9
259.16858	2.3
259.20764	2.2
263.16376	1.8
269.15247	6.1
271.16959	1.4
275.20029	85.6
276.20401	3.1
279.15811	9.0
281.17435	9.0
287.16434	7.4
293.21075	4.5
315.15955	1.1
333.16953	1.5
343.18735	1.1
349.23709	27.3
350.23972	2.0
351.17810	1.7
354.37363	1.2
361.20166	2.3
377.23251	2.2
407.20444	3.5
425.21597	16.7
426.21835	1.5
481.40271	1.2
537.35443	3.4
555.36719	46.2
556.37073	4.0
569.37671	1.8
597.37744	1.4
635.39270	3.2
653.40143	2.3
663.38373	1.6
681.39435	2.9
699.40656	11.2
700.41113	1.4
705.87952	1.1
717.44476	22.9
718.43860	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01867	2.6
65.03928	4.3
67.05498	2.1
70.71928	1.3
75.04471	2.3
76.94784	0.7
77.03888	0.8
78.04708	1.8
79.05479	4.1
81.03416	2.6
85.02901	4.0
90.05670	0.7
91.05463	8.5
93.03380	6.7
93.07029	3.0
94.04173	1.6
95.04966	7.4
97.06510	2.4
102.04681	0.8
102.13096	0.9
102.69740	0.8
103.05456	26.0
105.03371	1.7
105.04510	1.5
105.07023	4.0
106.03503	1.3
106.04169	12.6
107.04937	7.7
109.06484	2.1
110.03667	1.0
111.04450	1.4
115.05441	4.1
117.07027	3.4
118.04160	5.0
119.04945	2.3
121.06490	16.6
122.03637	3.9
123.04415	2.3
124.05206	1.6
125.05975	7.2
129.06946	1.5
130.04050	0.9
131.04909	37.3
132.05698	1.3
133.02863	2.6
133.06461	6.6
134.03601	3.4
135.04373	2.3
135.08052	2.4
137.05959	64.9
138.03102	1.0
138.06302	2.1
139.07541	1.8
141.05432	2.9
143.04955	1.7
144.05727	0.9
145.06459	4.2
146.03600	1.5
147.04384	3.1
147.08032	1.4
148.05159	10.6
149.05960	24.7
151.03891	85.9
151.04982	6.9
151.07541	3.4
153.01849	1.8
153.05464	3.1
153.09087	7.9
159.04387	1.2
160.05165	1.7
161.05957	5.6
162.01300	2.1
162.03059	0.8
163.03888	2.1
163.07527	24.2
165.05452	2.7
167.07024	13.8
171.04390	1.9
172.05217	1.1
173.05934	3.6
174.06764	1.5
175.07530	5.2
176.04657	2.9
177.05441	21.0
177.09038	0.7
179.01549	1.0
179.07004	1.9
181.04944	18.8
181.08542	15.5
187.07523	2.8
189.05405	1.4
189.09032	1.6
190.06279	0.9
191.07002	100.0
192.07515	1.9
192.93217	0.8
193.04956	1.3
193.08591	2.3
195.06509	3.0
199.07561	1.0
201.05380	0.8
203.06975	2.4
205.08609	2.5
207.10191	1.6
208.01889	1.6
209.08055	83.3
210.08478	1.9
211.07556	0.8
217.08784	1.0
219.10194	2.5
223.04192	14.0
223.09566	0.9
231.06592	1.3
233.08104	3.5
234.06683	1.0
235.09647	3.4
237.09087	1.8
245.08182	1.3
245.75421	0.8
247.07404	1.3
251.06802	1.2
254.09262	1.0
263.06540	0.6
263.09094	13.6
265.08688	2.2
266.09448	1.1
267.10181	1.2
277.08575	2.2
278.09314	0.8
278.79431	0.9
283.37296	1.0
293.07925	1.1
295.09586	1.3
307.09500	1.4
309.07843	0.8
312.08942	1.8
325.10672	1.4
327.12286	4.3
329.13705	2.1
337.10599	1.2
339.12210	1.6
351.12137	1.4
355.11667	7.6
357.13147	1.7
359.14816	1.2
369.13324	2.9
387.14328	29.6
388.14938	1.2
423.79193	1.0
547.18994	1.0
694.55023	0.9
717.46228	2.7
718.46997	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	718.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
51.91162	0.6
55.01864	2.7
64.31866	0.7
64.86993	0.7
65.03936	3.2
67.05501	1.9
68.20678	0.7
68.56073	0.7
69.37785	3.3
71.05009	0.7
75.04471	2.5
77.03951	1.0
78.04721	0.9
79.05512	3.6
81.03413	2.3
84.40595	0.7
85.02892	3.1
89.03908	1.2
90.04744	0.7
91.05475	8.3
93.03413	6.6
93.07039	2.8
94.04185	1.6
95.04956	7.2
97.06513	2.2
103.05464	24.3
105.03384	2.1
105.04492	2.1
105.07026	3.9
106.04181	13.6
107.04955	7.6
108.02108	1.5
109.02865	1.0
109.06508	1.9
111.04430	1.4
115.05446	3.8
117.03360	0.7
117.07003	3.8
118.03368	1.1
118.04128	5.4
119.04927	2.6
121.06503	15.1
122.03651	3.7
123.04416	3.7
124.05158	0.8
125.05999	7.6
129.06996	2.0
130.04106	0.7
131.04927	34.9
132.05655	1.0
133.02838	1.9
133.06490	4.1
134.03645	2.1
135.04416	2.5
135.08006	2.2
137.05971	67.9
138.06325	1.1
139.07526	1.9
141.05429	1.4
143.04929	1.8
145.06494	5.2
146.03584	1.7
147.04399	2.4
147.08051	0.9
148.05190	10.6
149.05977	28.9
151.03903	78.1
151.04982	5.6
151.07568	2.7
152.04333	1.2
153.01805	1.1
153.05472	4.4
153.09067	6.7
155.07063	0.9
157.06454	0.9
157.38525	0.6
159.04370	1.2
160.05206	1.8
161.05977	5.1
162.01347	2.0
163.03951	3.3
163.07529	24.9
164.46182	0.8
165.05487	4.3
167.07040	13.9
171.04401	0.8
171.06528	0.9
172.05122	0.8
173.05998	3.8
175.07512	6.0
176.04709	1.4
177.05463	20.3
177.06972	1.4
177.09081	1.1
179.01660	0.8
179.07013	1.7
181.03316	1.0
181.04948	20.4
181.08572	17.1
181.10104	1.6
181.49744	0.7
187.07532	1.9
189.05431	1.5
189.09108	2.2
190.00807	1.4
190.06224	1.0
191.07024	100.0
192.07573	2.5
193.04898	1.0
193.08537	2.7
195.06499	3.2
196.76651	0.7
201.05342	1.1
203.07004	3.9
205.08606	2.5
207.10274	1.5
208.01871	1.2
209.08080	92.1
209.50420	0.8
210.08453	2.5
211.07458	0.9
213.09087	0.8
217.08640	0.9
219.08228	0.9
219.10150	3.1
223.04236	17.0
223.09488	1.1
233.08055	3.8
234.06682	0.8
235.07545	1.4
235.09622	3.7
237.09085	1.7
249.09126	1.7
259.09839	1.4
263.06757	1.5
263.09158	13.8
265.08459	1.8
267.10092	1.6
268.10742	0.8
277.08658	1.9
283.09549	1.1
293.08203	0.8
295.09677	1.3
297.11200	1.2
299.12665	1.0
305.07901	1.1
307.09741	0.9
309.11243	1.4
312.08850	1.4
323.09088	1.0
325.10620	1.7
327.12378	3.7
329.13843	1.9
337.10565	1.0
339.12286	0.8
341.13739	1.2
355.11716	8.1
357.13287	1.3
359.14740	1.8
369.13321	4.2
387.14352	30.4
388.14709	1.4
547.19183	1.6
579.21570	0.9
590.41992	1.4
717.46484	2.4
718.35352	1.1
718.47021	12.5
734.42554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15790	0.8
53.13604	0.9
64.43820	0.8
65.03923	1.2
67.44985	0.9
70.06581	1.2
70.71992	1.6
73.18946	0.9
78.89539	0.8
80.79261	0.9
86.68088	0.9
89.03907	7.7
89.44637	1.0
91.05461	10.7
103.05451	14.0
105.04398	0.9
105.07021	4.6
107.04911	2.2
115.05427	1.6
117.03364	19.3
119.04933	21.0
131.04910	32.5
133.06482	4.4
134.03635	1.0
137.05966	3.4
145.01677	2.3
145.02827	47.0
147.04388	84.2
148.04704	1.7
149.05966	8.3
160.62936	1.0
161.05948	10.5
162.06697	1.7
163.03856	2.5
163.07526	11.2
177.05444	100.0
178.05786	1.8
186.05560	1.2
233.11807	1.5
256.12994	0.9
265.08234	1.2
272.78198	0.9
297.11072	1.1
395.14740	3.7
433.04602	0.9
449.07355	1.0
460.03653	1.0
525.29504	1.1
693.43420	1.1
718.37634	2.2
725.36108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34370	0.7
55.06691	0.7
64.41021	0.8
65.03924	0.9
67.05507	1.0
69.03443	1.1
69.20556	5.3
79.05455	1.9
81.07056	1.7
81.59387	0.8
85.02892	2.2
90.25467	0.7
91.05473	6.9
93.07010	1.5
94.04174	3.0
95.04991	1.3
98.22668	1.1
103.05472	6.1
105.07025	2.8
107.04965	2.6
107.08595	1.1
107.13562	0.7
109.06520	2.9
115.05422	1.9
117.07006	3.0
119.04932	3.0
119.08587	1.3
121.06493	4.1
121.31010	0.7
122.03633	5.8
123.08060	2.4
127.03927	0.7
128.06242	0.8
129.07011	2.6
131.04915	13.2
131.08571	1.1
133.06494	0.9
135.04398	0.9
135.08075	2.0
137.05963	100.0
138.06282	1.5
143.04970	0.8
145.06477	3.1
146.03697	1.1
147.04388	0.9
147.08020	1.3
149.05974	2.2
149.09622	1.0
151.03911	1.4
151.07532	29.8
157.06500	2.8
159.08049	0.9
160.05113	1.1
161.05971	19.6
161.09625	3.2
162.06737	1.0
163.07527	33.1
164.07918	1.0
165.07045	1.1
165.09111	1.4
165.21664	0.9
167.07158	1.0
171.08197	0.8
174.06723	1.4
175.07533	9.5
177.09087	50.0
179.08585	1.4
181.06467	0.9
187.07558	2.4
189.09079	9.4
191.06934	1.1
191.08644	0.9
193.06410	1.3
194.07280	1.8
195.10130	16.0
201.09074	1.5
205.06509	2.4
207.08209	1.4
207.10168	8.2
210.06703	1.3
218.07312	1.3
219.08038	2.4
219.10188	5.1
221.05945	2.5
221.09630	1.0
221.11650	9.2
222.06741	3.0
225.09119	2.3
233.06032	1.7
234.06810	1.8
235.07521	2.7
236.08304	1.1
237.09023	4.6
239.10721	1.3
247.07491	1.6
249.09120	3.2
250.06186	1.0
250.09718	0.8
251.06932	1.1
251.10699	3.5
252.07906	1.1
253.08566	3.2
254.09280	1.0
261.09045	1.6
262.05984	1.1
263.07007	1.3
264.07855	1.1
265.08582	11.4
266.09225	1.3
267.10187	2.9
269.07919	1.9
270.08862	0.9
277.08536	4.1
279.10123	6.5
280.10828	1.4
281.11743	1.6
283.09665	3.1
285.11203	7.4
287.12656	1.2
291.10159	1.3
293.11606	1.5
295.09610	2.1
296.10483	1.5
297.11218	19.5
298.11679	1.1
299.12820	3.0
309.11218	5.0
310.11816	1.0
311.12738	23.2
311.16354	1.3
312.13068	1.5
313.14481	1.0
317.13959	4.2
323.12851	4.0
325.14313	1.1
327.12216	1.3
335.12659	1.0
341.13937	1.8
343.15396	13.1
355.15521	4.4
369.16843	1.4
449.19397	1.0
459.18100	1.5
461.19675	9.6
475.20978	2.0
479.20667	17.6
480.21051	1.3
491.20627	14.8
492.20761	0.9
493.22168	10.9
509.21805	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	718.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01872	3.7
55.05508	18.5
57.01632	1.0
57.03434	13.9
57.07071	2.0
59.04996	4.9
61.02919	5.6
61.68902	1.1
62.94743	0.9
65.00259	0.9
65.03928	4.0
67.05502	100.0
68.05840	1.5
69.03422	7.0
69.07066	13.4
69.07409	1.9
71.04987	4.2
79.05490	30.0
80.05793	1.4
81.03422	7.1
81.07051	37.4
82.07363	1.4
83.04982	6.0
83.08617	11.3
85.02917	7.4
85.06523	2.9
87.04460	1.3
91.03979	2.1
91.05475	35.8
93.07043	27.9
95.04963	9.5
95.08603	20.8
97.02900	5.9
97.06536	5.1
97.10162	2.9
98.22665	3.0
99.04417	1.1
99.08077	3.2
105.07030	23.2
105.07726	1.5
107.04953	3.1
107.08586	14.2
109.02837	1.8
109.06506	3.3
109.10149	67.6
110.10466	1.6
111.04391	1.1
111.08072	3.6
112.13624	0.9
117.07006	11.0
119.08570	24.0
121.06508	3.0
121.10149	10.5
123.08043	1.9
123.11699	1.5
125.09650	2.4
127.03913	2.6
127.62674	1.0
128.06277	1.3
129.05502	2.4
129.07007	4.1
131.08548	11.6
133.10115	14.6
135.08022	1.7
135.11676	7.9
135.37587	1.0
137.09605	4.0
139.11182	1.1
141.06990	1.8
143.08539	3.7
145.04904	1.6
145.10143	9.7
147.11649	11.7
149.09619	3.9
149.13251	5.5
152.77139	1.0
155.10652	4.9
157.10139	3.1
159.11702	8.0
161.09633	1.3
161.13258	6.3
163.11180	2.2
163.14832	1.1
169.10056	1.4
171.11644	4.0
173.04440	1.2
173.11748	20.5
173.13199	3.6
175.14865	2.4
177.12741	3.4
179.14357	1.9
183.11772	1.2
184.07324	1.7
185.13167	3.2
189.12701	1.8
195.13794	3.5
197.13268	1.2
207.13768	1.4
227.12801	4.3
229.14342	43.4
230.14792	1.3
231.21057	1.4
239.17967	1.2
241.19426	5.6
257.18985	2.7
259.20538	17.3
260.20804	1.5
269.17508	6.2
275.20105	10.3
276.20541	1.6
276.42792	1.1
281.17474	1.8
293.17450	1.3
315.22751	1.4
333.24304	11.3
349.23685	4.6
400.59534	1.2
406.26898	1.2
423.27390	22.3
424.27686	1.9
429.02203	1.2
435.27487	1.3
487.33929	3.9
503.33609	2.9
505.35510	6.4
509.89920	1.1
556.36926	1.8
618.08527	1.1
630.47729	1.1
718.46350	9.6
719.35638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01863	10.8
55.05504	20.2
57.03434	16.6
57.07063	4.6
59.04990	4.3
61.02915	6.7
63.20818	1.2
65.03930	3.8
67.05495	100.0
68.05850	1.6
69.03416	8.3
69.07067	23.4
69.11502	9.5
71.04977	5.0
73.02902	3.7
74.13824	1.5
79.05040	2.5
79.05483	41.8
80.06238	1.4
81.03414	9.9
81.07050	52.1
83.04981	9.5
83.08611	10.6
85.02905	8.5
85.06520	3.5
91.03923	3.0
91.05466	40.4
93.07033	37.3
95.04950	12.1
95.08023	2.1
95.08598	29.3
97.02889	7.2
97.06522	10.5
97.10145	5.3
99.08070	2.3
105.04528	2.2
105.07008	32.5
107.04969	8.2
107.05614	1.2
107.08570	21.1
108.05748	1.6
109.06499	4.5
109.10139	63.5
111.08068	5.5
113.09632	1.5
117.06996	12.4
119.08557	24.4
121.06474	4.2
121.10126	9.8
123.08037	4.4
123.11692	2.2
125.09595	5.1
127.03885	4.6
129.05493	7.7
129.06978	6.9
131.08563	13.7
133.10127	17.6
135.08012	3.6
135.11662	8.0
137.09573	4.6
143.08549	5.2
145.10098	11.0
147.11653	14.6
149.09627	6.9
149.13252	6.2
155.08545	3.0
155.10631	2.7
157.10095	3.6
159.11635	11.0
161.09642	2.0
161.13258	7.0
163.11136	4.7
165.09042	1.4
165.12714	1.5
167.08530	1.6
169.10022	3.0
171.11650	8.4
173.04347	1.6
173.09624	1.5
173.11716	17.3
173.13252	4.9
175.14699	1.3
177.12791	3.3
179.14290	3.5
182.18776	1.3
183.11632	1.9
184.07286	2.6
184.65819	1.7
185.13268	3.0
187.11061	1.4
187.14874	1.9
189.12732	2.7
195.13788	3.0
197.13316	1.6
199.14767	1.9
201.12758	1.3
205.64302	1.4
207.13788	5.3
227.12746	3.8
229.14302	47.7
229.19211	1.7
241.19514	1.8
245.13800	1.5
257.19019	5.9
259.20554	5.6
269.17499	6.9
275.20035	14.9
281.17383	6.8
303.15921	1.7
333.24161	2.4
349.23657	10.5
363.25650	1.7
383.29602	3.1
401.30359	1.9
406.27121	8.3
423.27283	29.0
424.27432	2.6
427.19562	3.6
435.27313	15.1
475.34238	4.9
481.85266	1.4
487.33237	1.6
493.34988	2.5
503.33356	4.4
505.34869	2.5
519.32983	1.7
556.37207	2.2
701.37817	1.8
718.45453	4.5
719.46832	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01870	8.5
55.05505	20.1
57.03434	14.4
57.07058	3.1
59.04999	3.1
61.02922	5.4
65.03949	3.4
67.05499	100.0
69.03417	8.5
69.07066	22.1
70.38511	1.3
71.04995	5.6
73.02921	3.3
79.05489	36.4
81.03416	11.3
81.07049	54.7
81.27765	1.4
83.04977	9.2
83.08614	13.6
85.02886	7.7
85.06542	4.6
87.04455	1.8
88.47151	1.2
91.03941	3.9
91.05473	35.9
92.06294	1.5
93.07039	37.7
94.07823	1.8
95.04971	11.9
95.08595	24.6
97.02886	9.0
97.06528	10.2
97.10160	4.5
99.08112	3.3
103.05461	1.6
105.04514	2.1
105.07022	29.8
107.04934	7.1
107.08581	16.8
109.02888	1.9
109.06518	4.7
109.10148	70.0
111.04380	1.4
111.08064	6.1
115.05398	1.4
117.05529	1.6
117.07015	10.5
119.08564	23.2
121.06503	5.1
121.10144	12.0
123.04387	1.2
123.08053	4.4
123.11716	2.6
125.09621	4.9
127.03899	2.5
129.05482	4.5
129.06999	7.1
131.08560	11.9
133.10123	15.7
135.08044	2.1
135.11707	5.1
137.09633	5.2
143.08560	5.6
145.05060	1.6
145.10089	12.0
147.08014	1.3
147.11673	13.2
149.09633	6.7
149.13268	5.8
151.11150	1.9
155.08597	2.3
155.10677	4.2
157.08684	1.3
157.10146	3.7
159.11684	9.0
161.09682	1.7
161.13278	6.1
163.06001	1.3
163.11191	4.6
169.10123	1.9
171.06633	1.6
171.11606	6.4
173.11749	22.1
173.13216	4.9
176.11749	1.4
177.12743	3.5
179.14273	3.1
183.11607	1.7
184.07372	3.5
185.13245	2.8
187.14784	2.4
189.11255	2.6
189.12804	2.1
191.14288	1.5
195.13812	2.6
197.13187	1.5
207.13797	3.3
213.16414	1.9
227.12787	5.1
229.14328	57.7
241.19568	2.4
245.13826	1.6
247.20641	1.7
257.19083	3.1
259.20560	4.4
269.17368	7.6
275.20078	14.1
281.17374	6.3
281.97250	1.2
289.21634	1.7
293.17651	1.6
332.23355	1.5
333.24161	3.9
349.23709	8.4
383.29224	2.7
401.30307	2.4
406.27017	7.1
423.27411	32.1
435.27359	15.5
475.34473	6.4
487.33466	1.5
503.33578	6.0
505.34814	3.6
676.75055	1.5
718.45941	2.7
719.46802	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	718.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80223	0.9
52.93993	1.0
53.03938	1.5
55.01865	3.8
55.05507	13.9
57.03434	10.2
57.07075	1.9
59.05000	3.0
61.02930	1.7
65.03934	2.5
67.05497	100.0
69.03419	4.6
69.07059	15.1
69.21844	5.5
69.22243	2.5
71.04978	5.1
73.02869	1.2
78.99625	1.2
79.05478	22.7
81.03411	5.9
81.06562	2.2
81.07046	42.0
83.04959	7.6
83.08614	11.5
85.02888	3.9
85.06525	5.9
91.03941	2.0
91.05467	22.2
93.07036	28.3
95.04961	7.2
95.08601	17.0
97.02886	4.1
97.06520	10.7
97.10154	3.5
98.23518	1.9
99.08071	2.1
105.07015	13.7
107.04939	4.4
107.07898	2.2
107.08578	18.0
109.02876	1.7
109.06512	3.7
109.10143	78.4
110.26730	1.0
111.04433	1.2
111.08069	5.7
117.06998	9.5
119.08569	15.2
121.06514	2.4
121.10117	8.3
123.08051	2.7
123.11686	1.3
125.09599	2.7
127.03905	2.0
129.05486	1.6
129.07042	2.5
131.08539	10.7
133.10106	11.4
135.08026	1.7
135.11668	6.9
137.09589	4.8
145.04922	1.3
145.10127	7.7
147.08241	1.2
147.11671	4.2
149.09630	7.3
149.13263	6.8
155.10637	5.2
159.11681	8.0
161.13239	1.3
163.11186	5.1
171.11708	1.4
173.04442	1.8
173.11755	19.6
173.13290	4.3
177.12698	1.3
181.12239	1.1
183.11758	1.3
187.11217	1.8
189.11153	2.3
195.13806	4.8
197.13307	1.3
211.13374	1.5
223.87547	1.1
227.12808	7.3
229.14319	70.7
230.14722	1.8
239.17941	2.4
247.20496	1.3
255.15930	4.8
257.18942	6.0
267.15994	1.3
269.17447	13.2
271.65396	1.2
275.20035	18.1
275.72510	1.3
331.22507	1.6
347.60187	1.3
349.23709	17.4
367.24945	1.4
399.23444	1.9
409.25821	22.5
413.21664	1.4
423.27371	71.8
424.27548	2.7
435.80438	1.3
439.26968	1.6
503.33673	24.9
521.34943	6.1
567.31897	1.9
718.35120	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08167	0.9
55.01870	5.1
55.05511	13.0
57.03435	12.2
57.07072	26.4
57.07333	1.8
59.05007	2.0
61.02915	3.7
67.05502	13.0
69.03431	1.7
69.07055	6.5
69.10441	5.8
71.04987	2.2
71.08621	20.6
73.02925	1.8
79.05486	12.1
81.03397	5.6
81.07047	19.6
81.07504	1.5
83.01337	6.6
83.04971	8.2
83.08606	13.4
85.02897	7.1
85.06525	1.0
85.10182	11.9
86.10546	0.9
91.03955	2.6
91.05477	8.4
93.07037	16.8
95.04945	5.5
95.08596	14.7
97.02896	4.0
97.06518	2.6
97.10172	3.2
98.22681	1.4
99.04439	1.0
105.07000	6.7
107.04937	4.8
107.08593	8.7
107.76980	0.9
109.06509	4.6
109.10133	7.0
111.04466	1.3
111.08054	1.3
111.11681	1.1
117.07033	5.1
119.08602	5.0
121.06505	2.4
121.10134	5.2
121.69102	0.9
123.08061	5.2
123.11697	2.6
125.00033	1.4
125.05991	1.3
130.07848	1.0
131.08586	1.3
133.10138	1.8
135.08022	1.2
135.11691	9.4
137.09641	1.0
137.13272	1.4
143.08485	0.9
145.10129	7.4
153.12695	2.0
163.11150	15.5
173.09607	2.3
181.12189	2.5
184.07339	2.0
191.10646	2.2
196.77936	1.1
209.11707	3.7
227.12781	4.9
239.23686	1.7
283.15372	100.0
284.15729	3.2
313.27328	81.3
314.27792	4.0
431.72589	1.1
472.87311	1.1
521.38330	51.1
522.38464	3.9
546.38434	1.1
622.26880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00939	1.1
53.22227	1.1
54.47953	1.0
55.01870	2.9
55.05508	9.5
57.03428	10.6
57.07069	28.3
63.49551	1.1
67.05500	17.0
69.03412	1.1
69.07059	8.8
71.04984	2.2
71.08263	2.1
71.08624	22.6
73.06531	1.4
79.05486	17.2
81.03422	1.9
81.07047	21.4
83.04954	4.6
83.08611	13.0
85.02892	1.2
85.10176	13.2
85.14500	1.2
89.05989	3.2
91.05470	5.6
93.07035	23.8
95.04938	5.2
95.08596	37.7
96.08994	1.2
97.02887	3.3
97.06522	3.7
97.10173	5.4
99.04433	2.9
99.11720	1.4
103.07620	1.8
105.07021	4.3
107.04935	6.1
107.07928	1.3
107.08588	16.5
109.06496	1.1
109.10130	8.8
111.04430	1.1
111.08060	1.4
117.07022	7.0
119.08548	6.7
121.06477	3.0
121.10123	11.4
123.11701	2.6
125.05985	3.2
130.07692	1.5
133.10106	1.8
133.54802	1.1
135.10655	2.2
135.11678	41.6
145.10098	21.5
163.11168	51.6
181.12218	8.7
184.07306	2.9
227.12752	66.0
228.13191	1.2
257.24432	1.8
283.15366	86.9
284.15683	2.4
306.52679	1.2
313.27310	100.0
314.27704	4.0
362.54572	1.2
443.72336	1.1
461.18927	1.2
490.89169	1.3
521.38318	87.2
522.38739	7.1
584.02930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	2.2
55.01865	1.2
55.05505	20.9
55.05750	0.8
57.03437	11.9
57.03693	0.9
57.07073	5.3
60.08138	0.8
61.02913	3.8
65.03920	1.3
65.80598	0.6
67.05497	24.4
69.03381	2.4
69.07076	26.0
69.07487	2.2
69.96673	0.6
71.04941	2.8
71.07323	0.8
71.08591	2.7
73.02887	1.2
79.05485	18.8
81.03410	32.6
81.07048	29.8
83.04549	0.7
83.04969	9.4
83.08611	22.9
85.02897	15.9
85.06491	1.4
85.10163	0.8
86.09696	4.1
91.03907	1.1
91.05473	17.9
93.07034	16.9
93.41277	0.6
95.04959	14.6
95.08598	18.3
97.02850	3.2
97.06516	4.4
97.10164	10.8
99.08032	1.4
105.04491	0.7
105.07021	11.5
107.04963	3.1
107.05564	0.7
107.08589	8.8
109.06467	2.0
109.10156	6.9
111.04389	1.0
111.08064	5.9
111.11654	1.9
113.05975	1.1
116.56134	0.6
117.06935	1.0
117.77316	0.6
119.07762	0.6
119.08569	10.0
121.10143	14.0
123.07999	1.3
123.11701	3.6
125.00009	3.5
125.09570	1.0
129.06253	0.5
129.07002	5.9
131.08569	5.4
133.06453	1.3
133.10115	6.6
135.11673	7.2
137.09537	1.2
137.13148	1.4
145.10129	1.0
147.07996	1.5
147.11678	7.2
149.09555	3.4
149.13286	2.9
157.10118	6.4
163.11089	0.7
163.14796	0.9
165.12714	0.9
167.14366	0.7
175.11185	7.0
184.07323	13.7
193.12222	22.5
211.13264	33.1
212.13585	0.8
219.21025	1.3
237.22060	1.7
249.14749	1.0
262.56866	0.7
267.15906	14.3
285.16931	42.8
286.17358	1.1
311.25757	87.7
312.26169	3.9
328.66776	0.7
339.51511	0.7
503.37326	17.3
504.37830	0.8
521.38330	100.0
522.38641	5.5
526.08582	0.6
718.45648	2.1
719.39771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01855	2.0
55.05506	26.8
57.03431	17.2
57.07063	6.0
61.02930	4.2
61.86936	1.4
65.03977	1.5
67.05499	33.6
69.03431	5.0
69.07063	27.9
69.66120	6.1
71.04973	6.1
71.08615	3.5
79.05492	24.6
81.03413	44.2
81.07051	38.1
83.04974	12.9
83.08614	35.0
85.02897	22.4
85.10169	2.0
85.72904	1.5
91.03937	2.2
91.05469	25.8
92.05758	1.5
93.07030	21.4
95.04959	21.4
95.08609	19.5
97.02901	3.3
97.06533	4.9
97.10152	10.8
99.08079	3.1
101.49577	1.3
101.66707	1.6
105.07016	16.7
107.04955	4.3
107.08573	10.7
109.06492	3.4
109.10130	7.0
109.15108	1.5
111.04457	2.0
111.08080	9.2
119.08552	14.5
121.10139	16.3
122.76478	1.3
123.08060	2.2
123.11714	3.8
125.09613	1.9
129.07022	8.7
131.08553	9.5
133.06491	1.7
133.10132	7.9
135.11673	8.3
137.09616	1.8
137.13228	1.6
142.07748	2.0
145.05284	1.4
145.10222	1.6
147.11684	12.6
149.09592	4.7
149.13261	4.5
157.10121	10.2
158.34779	1.6
165.12730	1.7
175.11194	8.7
184.07317	2.6
193.12247	32.2
199.74400	1.4
211.13269	59.9
226.65140	1.5
237.22142	2.0
253.92897	1.3
267.15878	20.9
285.16940	74.3
286.17197	4.0
303.98514	1.6
311.25775	76.9
312.26138	4.3
385.32507	1.6
402.42059	1.4
444.70654	1.8
487.13187	1.5
503.37271	13.1
504.37878	1.6
521.38348	100.0
522.38751	6.8
575.02539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01862	2.0
55.05505	18.1
57.03433	8.9
57.07071	4.9
61.02924	1.6
67.05502	20.2
69.03413	3.6
69.07067	17.8
71.04983	3.0
71.08617	2.3
72.78275	0.6
79.05490	14.1
81.03411	34.0
81.06567	1.2
81.07049	24.5
82.07378	0.9
83.04970	9.8
83.08608	22.0
85.02898	14.3
85.06549	1.7
86.09702	1.5
91.03922	0.8
91.05475	11.8
93.07040	13.1
95.04349	0.8
95.04958	13.6
95.08604	13.5
97.02906	2.0
97.06514	3.1
97.10165	9.0
99.08105	1.2
103.21284	0.6
104.11193	0.7
105.07030	8.9
107.04957	2.9
107.08592	7.5
109.06510	1.9
109.10178	4.7
110.18545	0.8
111.04430	1.0
111.08076	7.3
111.11724	1.6
113.05975	1.9
117.07001	1.5
119.08575	9.9
121.06505	1.2
121.10132	11.0
123.08046	1.6
123.11707	2.3
125.09628	1.5
129.07004	4.9
131.08539	5.4
133.06505	2.4
133.10101	4.1
135.11674	5.0
137.13246	0.9
142.07813	0.9
145.10115	1.1
147.07974	1.5
147.11682	5.5
149.09628	3.6
149.13231	1.7
153.12775	0.7
157.10130	5.7
163.11183	1.3
163.14868	0.7
165.12842	1.2
175.11217	8.1
184.07385	2.4
193.12233	22.9
193.74977	0.6
211.13277	34.5
215.57007	0.6
219.21086	1.0
237.22141	1.8
258.04178	0.7
267.15869	10.5
283.15356	2.2
284.15720	0.9
285.16943	33.5
286.17398	1.3
309.85867	0.7
311.25757	39.8
312.26080	2.4
313.27170	1.3
391.83350	0.7
451.56689	0.8
503.37469	6.9
504.37689	1.0
521.38336	100.0
522.38751	5.9
611.13196	0.8
718.41113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01874	1.2
55.05511	2.1
57.03430	1.9
61.02916	3.4
67.05500	6.8
69.03442	2.8
69.07064	1.6
69.72232	1.6
71.04985	0.7
71.63709	0.4
73.02911	1.8
79.05489	6.5
81.03411	4.8
81.07050	5.4
83.04971	1.5
83.08628	1.2
85.02895	4.5
91.03962	1.7
91.05473	6.4
93.07039	4.4
95.04959	3.2
95.08603	2.3
97.02892	3.2
97.06544	0.6
97.10183	0.8
99.04423	0.5
101.02379	1.4
103.05473	0.5
105.04516	0.7
105.07030	6.0
107.04940	2.5
107.08599	1.7
109.02869	0.5
109.06559	1.4
109.10177	1.6
111.04461	0.8
111.08082	0.5
117.07019	2.0
119.08561	3.8
121.06500	1.0
121.10128	0.9
123.08047	0.8
125.09651	0.7
127.03901	1.4
129.06999	1.3
129.45215	0.4
131.08546	3.7
133.10153	1.6
137.09622	0.4
143.08577	1.0
145.10139	1.9
147.11714	1.7
149.09641	0.7
155.08588	0.6
157.10117	1.0
159.11653	0.5
161.09735	0.5
163.11198	0.7
169.10187	0.5
171.11726	0.7
173.13297	0.9
175.11237	0.5
181.10127	0.4
185.04282	0.5
193.12253	1.1
211.13393	0.6
223.85077	0.4
227.12741	0.8
229.14293	0.9
233.15364	0.5
235.33200	0.5
243.08435	1.7
251.12634	0.5
273.14755	0.8
273.18292	0.5
275.20151	0.9
286.57669	0.4
291.19446	0.8
329.17380	0.9
337.20096	0.5
350.23999	0.4
414.52737	0.5
469.20511	3.5
490.28986	0.9
491.22464	7.2
522.31079	0.8
539.33667	0.7
557.35156	1.1
646.86737	0.5
719.36041	100.0
720.36163	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	719.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01874	1.2
55.05511	2.1
57.03430	1.9
61.02916	3.4
67.05500	6.8
69.03442	2.8
69.07064	1.6
69.72232	1.6
71.04985	0.7
71.63709	0.4
73.02911	1.8
79.05489	6.5
81.03411	4.8
81.07050	5.4
83.04971	1.5
83.08628	1.2
85.02895	4.5
91.03962	1.7
91.05473	6.4
93.07039	4.4
95.04959	3.2
95.08603	2.3
97.02892	3.2
97.06544	0.6
97.10183	0.8
99.04423	0.5
101.02379	1.4
103.05473	0.5
105.04516	0.7
105.07030	6.0
107.04940	2.5
107.08599	1.7
109.02869	0.5
109.06559	1.4
109.10177	1.6
111.04461	0.8
111.08082	0.5
117.07019	2.0
119.08561	3.8
121.06500	1.0
121.10128	0.9
123.08047	0.8
125.09651	0.7
127.03901	1.4
129.06999	1.3
129.45215	0.4
131.08546	3.7
133.10153	1.6
137.09622	0.4
143.08577	1.0
145.10139	1.9
147.11714	1.7
149.09641	0.7
155.08588	0.6
157.10117	1.0
159.11653	0.5
161.09735	0.5
163.11198	0.7
169.10187	0.5
171.11726	0.7
173.13297	0.9
175.11237	0.5
181.10127	0.4
185.04282	0.5
193.12253	1.1
211.13393	0.6
223.85077	0.4
227.12741	0.8
229.14293	0.9
233.15364	0.5
235.33200	0.5
243.08435	1.7
251.12634	0.5
273.14755	0.8
273.18292	0.5
275.20151	0.9
286.57669	0.4
291.19446	0.8
329.17380	0.9
337.20096	0.5
350.23999	0.4
414.52737	0.5
469.20511	3.5
490.28986	0.9
491.22464	7.2
522.31079	0.8
539.33667	0.7
557.35156	1.1
646.86737	0.5
719.36041	100.0
720.36163	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	719.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.3
53.03942	11.3
55.01871	36.8
55.05509	31.5
57.03431	18.5
57.07091	2.1
59.04984	4.2
61.02914	3.4
65.03933	8.6
67.05500	86.0
68.05829	7.7
68.15984	2.5
69.03428	25.3
69.07062	39.8
70.54091	4.2
71.01347	2.7
71.04993	12.2
73.02898	4.6
79.05486	66.4
79.19302	2.1
80.05808	3.6
81.03407	62.0
81.07051	81.5
82.07390	4.8
83.01308	2.6
83.04977	27.0
83.08607	16.6
84.82693	2.9
85.02895	9.8
85.06520	3.3
91.05472	69.1
92.05789	3.4
93.07035	65.1
94.07373	4.4
95.01316	9.0
95.04965	27.3
95.08598	47.5
96.05272	2.2
97.02869	14.7
97.06522	58.5
97.10159	9.3
98.39229	2.4
99.04446	9.3
99.08013	3.8
105.04474	2.4
105.07021	86.8
105.07742	5.0
106.07372	5.6
107.04956	33.7
107.08585	33.7
108.08909	2.9
109.02858	16.3
109.06501	9.5
109.10155	34.0
110.10490	5.4
111.04459	12.4
111.08066	7.9
113.06004	3.0
115.05443	3.6
117.06992	22.6
119.08583	49.8
119.56652	2.4
120.08894	2.6
121.06469	5.9
121.10183	16.0
123.04410	5.5
123.08057	8.5
123.11710	3.3
125.09626	8.8
127.03893	17.8
129.06993	8.0
130.07770	3.1
131.08563	26.7
132.08818	2.1
133.06494	2.3
133.10124	44.9
134.10434	2.6
135.08012	6.4
135.11694	20.2
137.09618	5.9
139.07565	3.0
143.08556	7.7
145.06444	5.4
145.10127	25.4
147.07990	2.6
147.11685	17.0
149.09590	13.0
149.13222	3.9
151.27129	2.2
153.12733	7.7
155.08475	4.6
157.10080	4.6
159.11707	13.5
161.09589	4.8
161.13258	7.0
163.11159	20.3
165.09161	4.5
169.10153	4.1
171.11658	7.0
173.04375	4.2
173.09570	4.3
173.11713	7.0
173.13232	5.8
179.14258	16.8
181.12177	7.9
183.11653	3.9
184.07364	5.9
187.11145	3.8
189.11111	3.4
189.12767	2.9
191.10664	6.4
209.11678	5.6
227.12762	20.1
229.14371	11.5
230.14633	5.1
247.20514	2.9
257.19043	10.1
265.14282	12.3
269.17453	3.3
273.84515	2.4
275.20050	100.0
276.20300	6.7
283.15363	10.4
293.21008	8.0
322.91049	2.7
333.24255	3.4
349.23676	28.6
353.15933	8.0
389.30542	2.6
423.27249	4.7
424.27475	7.5
427.19522	51.5
539.33435	13.6
557.34406	15.6
701.38885	46.5
719.35999	8.7
719.45892	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	719.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.7
53.03931	4.0
55.01854	4.6
55.05255	1.8
55.05506	28.3
57.03428	11.9
57.07064	4.2
61.02912	3.6
65.03920	6.4
65.43786	1.3
65.96276	1.2
67.05498	84.3
68.05827	1.2
69.03416	5.0
69.07056	22.3
71.04988	6.4
71.08622	1.7
73.02895	1.9
73.33287	1.0
77.03912	3.8
79.05485	95.6
80.05803	1.4
81.03412	13.7
81.07047	74.5
83.04973	14.9
83.08611	11.4
85.02890	6.7
85.06525	5.2
91.05470	100.0
92.05820	1.7
93.07034	93.9
94.07350	2.0
95.01267	1.3
95.04353	1.1
95.04959	29.8
95.08597	44.1
95.09213	2.3
97.02883	3.1
97.06512	7.9
97.10163	6.0
98.22676	2.3
99.04420	1.5
99.08058	3.7
103.05445	2.1
105.04519	6.1
105.07019	82.6
107.04935	11.5
107.07835	1.5
107.08579	32.5
109.06505	8.5
109.10136	11.9
111.08071	3.6
115.05450	3.4
117.07003	23.5
119.08566	65.5
121.06496	3.5
121.10139	18.5
123.08083	5.6
123.11661	3.3
125.06075	1.8
125.09563	2.3
127.03863	1.5
127.07575	1.3
128.06198	6.4
129.05502	1.3
129.06981	26.0
130.07765	1.2
131.07642	2.3
131.08548	27.5
133.06538	2.1
133.10123	39.0
135.08076	3.1
135.11676	12.7
137.09572	3.4
141.06960	5.4
142.07788	2.6
143.08548	22.6
145.06500	1.8
145.10101	26.7
147.08005	2.2
147.11673	53.3
149.09581	2.7
149.13286	8.2
155.08534	7.8
156.09380	2.8
157.10115	12.6
159.11682	20.5
161.09610	4.3
161.13242	27.6
163.11137	2.8
163.14775	3.6
165.07005	1.2
165.12732	1.7
165.88812	1.2
167.08531	3.9
169.10133	9.1
171.10191	1.6
171.11662	33.9
172.11995	1.3
173.09779	1.4
173.13243	13.7
175.11171	1.5
175.14784	11.7
177.12790	2.4
179.08524	2.2
179.14301	3.8
181.10088	4.5
183.11668	5.5
184.07399	2.2
185.13226	12.3
187.11172	1.9
187.14745	4.2
189.12738	10.1
193.10161	1.4
195.11668	3.8
197.13300	4.9
199.14835	5.7
207.11754	2.0
207.13756	16.8
209.13266	4.2
209.15266	1.2
211.14708	2.3
213.16356	2.9
215.17941	1.6
217.15726	1.2
217.19641	1.2
219.11766	1.4
221.13214	1.5
223.14746	3.5
231.21027	4.6
241.14081	1.3
241.19501	22.4
243.21033	1.9
249.50870	1.3
257.18918	4.0
259.20541	49.0
260.20923	2.3
261.22284	2.0
264.29065	1.4
275.17392	1.3
275.19971	7.5
279.15894	9.8
281.17444	46.3
282.17584	1.8
313.21280	1.9
315.23215	5.9
333.24231	33.1
334.24551	2.0
339.23132	1.7
353.24646	1.8
419.33270	1.4
429.31573	1.8
435.74280	1.3
437.34052	3.3
447.32480	8.6
447.37714	1.4
465.33453	8.2
483.34375	3.3
511.38806	1.2
521.36053	3.3
529.38348	3.0
539.37256	60.9
540.37469	4.9
557.38275	22.4
558.38391	2.2
647.38788	1.9
701.41779	3.4
719.44720	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	720.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01353	1.4
53.03940	1.9
55.01868	2.7
56.96552	5.8
57.03408	1.6
61.02936	1.7
63.40747	1.5
69.03442	9.8
70.92361	2.5
73.02891	2.1
76.16640	1.5
79.05494	3.2
81.03407	5.9
81.21815	1.6
85.02892	11.8
91.05466	15.4
93.07034	1.7
94.04221	2.1
95.04959	2.4
97.02883	6.1
98.23056	1.9
99.04442	3.3
103.05463	13.7
105.03371	1.6
105.07015	15.7
107.04941	32.5
109.02880	2.1
109.06485	2.6
109.51559	1.5
115.03865	2.4
115.05480	4.7
117.07082	1.8
117.56999	1.4
119.04932	12.1
119.08568	1.6
121.06504	12.0
122.03628	4.0
127.03910	7.3
129.06978	4.9
131.04909	15.6
133.02837	10.7
133.06477	18.7
135.04376	2.0
135.08011	10.3
137.05960	80.9
145.04959	2.5
145.06458	4.0
146.07278	2.7
147.04367	15.5
148.05174	1.8
149.05969	18.9
150.06703	3.5
151.03967	1.9
151.07518	37.8
153.01801	6.5
157.06497	5.9
159.04338	1.8
159.70645	1.5
161.05960	78.1
161.09602	18.5
162.06654	3.6
163.07526	57.0
164.07837	2.4
165.05373	2.1
165.09056	8.0
166.22026	1.5
167.07030	5.7
169.06419	2.4
171.08060	2.0
174.06734	3.4
175.03918	1.5
175.07512	13.1
177.05481	6.3
177.09109	8.1
179.07030	21.0
181.08583	13.9
187.07555	4.6
189.09087	50.7
191.07047	9.3
193.08560	9.9
195.08020	3.8
195.10127	1.9
197.06012	1.5
201.09117	2.3
203.06992	5.5
207.10135	100.0
208.10503	3.4
209.07973	3.5
213.00706	2.0
215.06982	2.9
217.08757	3.0
219.10120	3.7
221.09767	1.9
222.99133	2.1
223.07468	2.6
223.09598	1.5
225.09062	3.0
225.11226	5.0
227.10678	5.3
229.08464	3.0
231.10281	1.9
235.09650	2.6
240.99988	3.2
245.08076	3.2
247.09784	1.7
249.11275	3.7
250.98605	3.3
253.08553	3.7
253.12311	2.2
255.10086	7.6
267.10129	2.7
268.99594	4.6
273.11121	8.8
275.02225	1.5
275.09216	2.1
275.12769	1.7
285.11218	5.0
287.02417	2.3
287.12833	11.4
291.12158	13.3
299.12671	2.5
303.01703	4.0
309.13278	2.2
311.11282	4.2
313.00134	3.3
313.14322	11.1
315.01611	1.7
323.11200	1.9
331.01297	5.8
331.15344	50.0
340.99631	2.8
343.15317	10.9
349.02264	5.1
359.00729	17.4
360.01239	1.9
361.16248	6.8
377.01700	17.8
395.02771	9.9
408.54639	1.9
413.03702	2.8
511.01892	2.7
643.04810	7.3
661.05164	7.5
679.05670	6.2
697.06482	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	720.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.01864	7.6
55.05504	23.0
57.03433	20.6
57.07066	3.0
58.52757	1.1
59.04987	1.8
61.02913	5.5
65.03929	3.5
67.05496	47.7
69.03439	8.1
69.07061	21.4
70.92000	1.6
71.04990	7.1
73.02914	2.0
79.05111	1.4
79.05481	46.0
81.03408	100.0
81.07049	52.4
83.04975	24.3
83.08605	23.3
85.02896	35.4
85.06525	3.7
86.09718	2.3
87.04459	1.6
91.03954	1.9
91.05471	55.5
93.07035	47.8
94.07362	2.9
95.04953	35.8
95.05527	2.4
95.08590	29.3
97.02863	8.2
97.06525	9.0
97.10157	7.7
99.04409	2.3
99.08086	3.0
105.04456	3.2
105.07012	35.0
107.04942	14.3
107.08578	22.7
109.02887	3.9
109.06506	9.6
109.10130	11.6
111.04425	3.9
111.08060	12.0
111.11702	1.6
113.06001	4.8
115.05477	1.9
117.06990	9.1
119.08564	35.8
120.08917	1.6
121.06487	11.3
121.10119	16.5
123.08065	10.1
123.11687	2.9
124.99941	1.7
125.09615	4.2
126.21789	1.1
127.03881	1.9
129.06989	15.1
131.07658	1.8
131.08551	17.4
133.06479	4.4
133.10106	23.8
135.08037	5.3
135.11667	7.5
137.09595	6.1
142.07741	2.4
143.08531	5.4
145.06483	2.9
145.10094	7.9
147.08031	7.0
147.11665	18.3
149.09567	6.1
149.13216	1.6
151.11147	1.7
153.12735	1.5
155.08502	1.4
157.10110	15.7
158.10359	1.5
159.11650	3.7
161.09602	2.3
161.13251	2.4
163.11150	7.6
165.12701	3.6
173.13214	1.8
175.11160	16.1
175.14790	6.1
177.04790	1.2
177.12825	1.2
184.07291	4.4
185.13263	8.6
189.09196	1.3
189.11150	1.5
191.10652	1.3
192.82217	1.2
193.12213	40.1
193.15866	2.1
203.14314	3.5
209.11716	3.1
211.13264	55.4
212.13646	1.5
221.15338	44.5
223.13298	3.4
225.11096	1.6
227.12735	4.2
229.14195	1.9
232.30638	1.5
239.16377	53.0
239.18832	2.6
240.16782	1.8
241.14253	1.6
267.15851	34.9
281.17319	1.6
283.15356	14.9
285.16928	56.6
286.17337	2.1
295.18985	11.4
297.16965	1.9
299.14914	1.9
301.16315	1.3
313.16428	7.0
313.20032	29.5
314.20325	1.9
395.25699	2.3
403.24524	1.3
413.26706	2.9
459.27148	6.8
473.24734	2.8
477.28458	6.4
487.30478	16.8
491.26312	10.7
492.26511	1.6
505.31940	20.9
506.31598	1.3
509.27087	2.2
523.33197	63.8
524.32642	3.7
558.34851	1.6
565.52167	1.3
713.49695	1.3
720.36078	1.5
734.64099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.5
55.05500	6.3
57.03433	4.3
58.37062	3.1
60.81348	2.4
61.70305	2.7
67.05502	18.2
69.07051	3.5
79.05485	26.7
81.03409	40.7
81.07052	15.8
83.04953	6.7
83.08624	8.0
83.64684	2.6
91.05470	26.8
93.07040	29.8
95.04961	16.5
95.08565	11.4
98.22598	5.8
105.04515	3.8
105.07012	18.7
105.07620	3.0
106.76984	2.7
107.04910	7.2
107.08599	4.2
111.08003	4.2
117.07008	5.5
119.08569	11.3
123.08085	4.1
129.07013	7.9
131.08578	6.2
135.74852	2.8
143.08484	4.0
145.10114	3.4
147.11684	17.9
171.11732	8.0
175.11116	3.1
189.12695	4.3
193.12263	9.7
207.13710	9.9
228.44243	2.6
245.14177	3.2
253.54861	3.3
267.15842	26.7
281.17505	28.3
309.68121	3.3
333.97928	2.8
411.09595	3.3
473.28976	100.0
474.28986	5.8
583.27112	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	720.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.05505	9.6
57.03435	8.2
57.07069	22.1
61.02922	1.9
67.05495	14.3
68.87093	1.0
69.03433	2.2
69.07054	7.2
69.16164	4.6
71.04983	2.8
71.08619	13.3
72.08956	1.0
73.02900	1.1
79.05477	10.4
81.03410	38.8
81.07043	16.8
82.03774	1.0
82.32780	1.0
83.04974	9.4
83.08614	21.8
85.02887	12.0
85.06539	1.8
85.10174	9.3
87.41940	1.0
89.06023	1.3
91.05483	12.0
93.07026	5.1
95.04970	13.7
95.08604	14.8
97.02870	2.3
97.06534	1.9
97.10156	4.6
98.23443	1.9
105.07021	8.9
107.04962	1.7
107.08602	3.0
109.06535	2.2
109.10158	6.1
111.08083	5.7
113.05999	1.2
119.08570	9.0
121.06522	1.1
121.10131	5.8
123.11696	3.0
129.07027	4.5
131.08580	4.4
133.06526	1.5
133.10089	4.7
147.11673	9.5
149.09621	3.0
157.10143	8.4
165.12794	1.6
175.11163	9.6
189.30861	1.0
193.12213	27.7
211.13269	40.0
216.40315	1.1
232.46283	1.0
239.23906	1.7
257.24683	1.5
267.15851	9.7
285.16928	35.4
286.17343	1.8
313.27332	47.4
314.27649	2.9
327.61438	1.0
445.96609	1.0
505.38773	8.5
505.57181	1.0
523.39893	100.0
524.40387	10.2
591.44037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63117	1.8
51.89076	1.6
53.03931	3.8
55.01860	3.3
55.05508	29.6
57.03436	29.4
57.07074	59.5
59.18134	1.5
61.02920	9.4
65.03942	2.4
67.05155	3.5
67.05498	44.9
69.03439	8.1
69.07063	19.5
69.11494	12.4
71.04977	8.6
71.08627	48.3
75.47800	1.5
79.05494	31.2
80.05816	1.5
81.03414	83.3
81.07055	56.4
83.04976	23.6
83.08616	44.3
85.02898	35.2
85.06522	2.6
85.10178	23.4
87.15712	2.1
89.06036	2.4
91.03941	4.2
91.05474	34.8
91.06035	1.4
93.07037	23.8
95.04409	3.0
95.04961	30.3
95.08599	42.5
95.09206	2.0
95.56651	1.6
97.02891	7.6
97.06522	4.2
97.10168	11.1
99.08073	1.9
105.07024	28.9
107.05000	9.4
107.08578	8.0
109.06514	4.7
109.10158	20.3
111.08069	12.9
113.05988	3.9
119.08572	21.7
121.10125	12.4
123.08021	4.3
123.11697	7.7
125.09646	3.2
129.06995	16.3
131.08553	12.9
133.06494	2.7
133.10103	15.2
135.11671	2.1
142.07756	3.9
145.10127	1.9
147.08022	6.0
147.11670	21.2
149.09621	9.6
157.10103	24.1
161.32822	1.9
165.12695	3.5
175.11206	19.4
181.55324	2.0
184.07428	2.1
193.10492	3.9
193.12230	58.0
194.12515	1.9
211.13290	62.0
212.13754	2.2
239.23769	2.4
257.24588	2.0
267.15845	17.5
285.16943	69.2
286.17224	3.5
296.10919	1.8
313.27335	85.3
314.27509	5.3
406.65558	1.7
465.35876	4.5
494.69205	1.9
505.38815	14.5
523.39911	100.0
524.39996	8.6
634.23120	1.8
712.57355	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	721.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01868	8.9
55.05507	8.5
57.03432	5.4
59.05006	0.9
61.02925	3.5
65.03927	1.4
67.05154	1.4
67.05496	18.7
69.03421	6.0
69.07063	10.3
69.52150	2.8
71.04985	2.7
73.02914	3.4
77.01352	0.7
79.05482	13.8
81.03407	19.4
81.07050	15.2
83.04984	4.4
83.08620	5.1
85.02903	6.8
85.06524	1.2
91.03944	2.4
91.05468	16.5
93.07034	10.8
95.01314	1.6
95.04953	7.4
95.08594	9.2
97.02882	6.5
97.06512	12.6
97.10180	2.0
99.04466	1.3
99.08108	0.9
101.02378	1.4
105.04493	0.8
105.07023	19.3
107.04941	5.5
107.08593	6.2
109.02872	1.9
109.06554	2.2
109.10149	9.8
111.04436	1.1
111.08101	2.4
117.06997	4.8
119.08566	12.0
121.06491	2.1
121.10116	4.3
123.08087	1.9
123.11746	0.7
125.09645	1.6
127.03908	2.1
129.07018	2.4
131.08554	6.5
133.06502	1.3
133.10133	9.1
135.08020	1.4
135.11710	2.3
137.09583	1.9
139.07533	1.0
140.64206	0.7
141.07004	1.0
142.07848	1.0
143.08569	1.4
145.10132	4.4
147.08078	1.0
147.11647	5.8
149.09637	3.1
151.11215	0.9
153.09090	0.8
153.12770	0.9
157.10089	3.8
159.11694	2.2
161.13196	1.1
163.11201	1.8
165.12727	0.9
169.10121	0.9
171.11661	1.3
173.04546	1.0
173.11749	1.8
173.13203	1.5
175.11185	3.0
179.14317	3.1
183.11658	1.0
184.07378	0.9
187.11147	0.8
193.12270	5.7
211.13249	6.5
223.13306	1.8
227.12874	0.8
229.14322	1.7
233.15572	0.7
240.90033	0.7
243.08479	2.7
257.18973	1.4
267.15878	11.0
275.20038	23.3
275.22906	1.3
285.16882	1.7
291.19534	1.0
293.21094	2.6
331.18701	0.8
349.23703	8.1
355.17664	0.9
411.19788	1.1
413.17746	11.6
429.21158	5.6
541.35120	18.2
542.35547	1.6
549.26544	4.4
559.36066	3.1
653.45276	0.7
680.36456	0.8
703.40436	7.2
705.41949	0.8
721.37549	100.0
722.38141	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	721.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	1.2
55.05510	2.9
57.03428	2.5
57.07071	1.1
59.05010	0.5
61.02921	7.6
67.05496	6.1
69.03426	3.5
69.07067	4.2
69.12208	2.2
71.01360	0.6
71.04988	0.7
71.08623	1.0
73.02917	5.3
77.03922	0.4
79.05489	3.3
81.03404	3.0
81.07050	6.6
83.04963	0.6
83.08614	4.0
85.02895	8.6
85.10203	0.5
86.09694	1.6
87.04449	0.8
89.06036	0.5
91.03941	3.1
91.05496	2.2
93.07038	4.5
95.04984	1.1
95.08594	4.8
96.68150	0.4
97.02891	6.5
97.06509	0.6
97.10175	2.0
98.64233	0.4
99.04466	1.1
101.02400	2.4
105.07033	1.4
107.04978	0.7
107.08566	2.8
109.02874	0.9
109.10164	1.8
111.08050	0.8
115.03930	0.5
117.07027	1.0
119.08582	1.2
121.06467	0.5
121.10132	3.0
123.08067	0.7
123.11700	0.7
125.00005	1.1
127.03921	1.8
129.07005	0.5
131.08557	0.5
132.24390	0.4
133.10184	0.7
135.11693	2.3
139.15137	0.4
145.10124	1.3
149.13255	0.5
157.10083	0.6
163.11194	1.3
184.07314	5.9
185.04250	0.9
210.35956	0.4
219.21130	0.8
243.08322	2.2
249.10988	0.6
256.50500	0.5
267.16003	0.7
275.20068	0.6
311.25870	1.6
467.18771	4.6
495.29227	8.4
524.39783	0.7
531.05695	0.5
545.85962	0.4
609.45239	1.5
721.41235	100.0
722.41534	8.9
734.09863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
55.05514	2.0
57.03442	2.0
59.29036	0.5
61.02927	4.3
67.05517	2.7
68.23306	0.5
69.03425	2.1
69.07073	2.1
71.07371	1.2
73.02908	3.2
79.05492	3.0
81.03422	1.8
81.07058	3.5
83.01353	0.6
83.04974	0.9
83.08643	1.8
85.02899	4.6
86.09694	4.2
91.03989	2.0
91.05503	1.8
93.07048	2.9
95.04965	1.2
95.08594	2.9
96.54209	0.5
97.02898	3.5
97.10184	0.9
99.04472	1.1
100.23383	0.5
101.02409	1.6
101.47046	0.5
104.45754	0.5
105.07030	1.4
107.08620	1.9
109.10182	0.7
111.11886	0.6
117.06992	0.5
119.08614	1.0
121.10150	1.8
123.11716	0.8
125.00020	2.9
127.03919	1.5
133.10179	0.9
135.11729	1.5
145.10101	1.0
151.25865	0.6
163.11209	1.5
184.07338	11.7
185.07782	1.1
191.49588	0.6
243.08289	1.1
247.38846	0.5
267.16107	0.7
465.79388	0.6
467.18854	7.2
495.29361	4.1
495.41870	0.6
524.40631	0.7
609.45105	1.2
631.24170	0.6
671.21930	0.7
721.41284	100.0
722.41669	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	721.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64423	1.1
53.03940	6.7
55.01612	2.2
55.01867	27.5
55.05503	23.7
56.93095	1.0
57.03430	8.6
57.07071	1.9
61.02917	2.6
64.48048	1.0
65.03939	3.5
67.05497	45.1
69.03424	12.5
69.07059	30.4
71.04977	5.1
73.02900	2.0
77.03912	1.3
79.05482	45.8
81.03407	59.5
81.07045	59.8
82.03742	1.2
83.04967	15.5
83.08616	17.0
85.02891	9.6
85.06535	2.5
91.05470	62.0
93.07034	36.5
95.01320	8.4
95.04408	2.2
95.04959	24.1
95.08593	29.9
97.02872	13.9
97.06522	42.7
97.10175	6.1
99.04449	3.0
99.08085	1.7
103.05442	2.0
105.04507	3.0
105.07018	81.0
106.07327	1.2
107.04942	22.7
107.08578	19.0
109.02869	7.7
109.06516	6.8
109.10130	11.9
111.04449	5.8
111.08062	6.4
115.05431	3.3
117.07007	14.1
119.08571	42.7
119.09418	2.2
120.08912	1.8
121.06508	4.7
121.10139	11.1
122.04293	1.2
123.04469	2.2
123.08054	3.0
123.11688	1.6
125.09606	3.9
127.03889	6.7
129.05470	1.7
129.06960	8.0
130.07756	1.4
131.08553	24.1
133.06454	2.2
133.10115	42.2
134.10472	1.5
135.08029	3.8
135.11650	7.9
137.09602	3.3
139.07524	2.0
141.06937	2.3
143.08569	4.8
145.06487	2.4
145.10117	18.3
146.97667	1.0
147.08051	3.4
147.11673	22.0
147.12833	1.5
149.09584	9.5
149.13245	4.9
151.11125	2.1
153.12752	1.3
155.08499	1.4
157.10118	9.1
159.11694	10.1
161.09634	3.2
161.13248	6.6
163.11127	7.1
165.09077	1.7
165.12798	2.8
169.10089	2.6
171.11705	3.4
173.04494	1.4
173.09596	1.2
173.13232	3.6
175.11180	6.3
177.12769	3.7
179.14294	12.9
181.12187	3.1
183.11653	2.7
185.13249	1.9
187.11162	5.0
191.10608	1.5
193.12198	17.2
195.13899	1.3
197.13239	2.2
205.12244	1.7
206.52451	1.1
211.13243	17.6
211.15063	1.5
215.14143	1.1
215.17905	1.3
219.17406	5.1
227.12753	3.0
229.14217	1.6
229.19550	1.6
239.17952	2.0
247.20622	3.1
249.14905	1.5
257.18985	8.1
267.15863	18.0
275.20032	100.0
276.20425	3.0
279.15878	2.6
285.16974	3.3
293.21121	6.9
337.16299	1.3
344.67001	1.1
344.81537	1.4
349.23685	40.3
350.24359	1.8
355.17343	3.1
411.20099	5.1
413.17618	3.0
429.21219	15.2
470.77539	1.2
541.35126	45.7
542.35559	2.8
559.36261	18.1
560.36975	1.4
685.39063	1.8
703.40411	37.7
704.40448	4.9
721.37439	32.5
722.37152	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	721.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.0
52.54014	1.1
53.03938	8.2
55.01614	2.6
55.01865	30.6
55.05505	32.9
56.10641	1.3
56.82001	1.3
57.03431	13.4
57.07047	1.4
59.05001	1.3
61.02920	3.6
63.04427	1.1
63.33455	1.1
65.03934	3.8
67.05498	53.4
68.05825	1.3
69.03416	18.4
69.07059	34.4
71.04976	8.5
73.02898	3.2
77.03945	1.4
79.05485	46.2
79.05944	2.5
81.03408	84.9
81.07047	66.0
82.03737	1.3
83.01373	1.5
83.04971	24.4
83.08611	25.3
85.02895	13.6
85.06532	4.2
87.04491	1.5
91.03928	1.8
91.05468	71.5
93.07031	44.8
93.07599	2.7
95.01329	8.1
95.04955	30.7
95.08597	35.0
97.02876	19.1
97.06519	45.8
97.10158	7.7
98.22717	4.3
99.04468	3.6
99.08098	2.5
103.05472	2.2
105.04505	4.0
105.07018	83.8
106.07325	1.5
107.04942	23.4
107.08582	21.0
107.09254	2.0
109.02887	8.6
109.06516	6.4
109.10138	14.7
111.04420	9.3
111.08067	12.0
113.05949	2.0
115.05467	4.1
117.06996	16.7
117.07796	1.5
117.11311	1.2
119.08562	49.4
121.06524	6.8
121.10145	13.2
123.04434	3.8
123.08038	7.5
123.11689	3.1
125.09631	5.3
127.03882	8.2
129.05475	5.0
129.06989	12.1
131.05009	1.6
131.08551	28.4
132.09363	1.4
133.06516	4.4
133.10104	42.0
133.22858	1.3
135.08043	6.2
135.11676	8.9
137.09642	4.2
139.01593	1.2
139.07527	2.4
141.06995	2.5
142.07791	2.4
143.08565	5.4
145.06500	4.0
145.10112	19.1
147.08046	4.2
147.11662	30.6
149.09599	10.9
149.13272	5.3
151.11200	2.2
153.12793	1.6
155.08559	3.2
157.10100	14.5
159.08020	1.4
159.11691	12.9
161.09633	2.1
161.13229	4.5
163.11153	6.5
165.09129	3.0
165.12747	2.5
169.10112	3.0
171.11659	6.8
173.04494	2.1
173.09695	2.3
173.13293	5.7
175.11151	8.9
177.12755	3.5
179.14293	15.2
181.12268	3.6
183.11700	2.3
185.13309	3.1
187.11201	4.1
189.12782	1.6
191.10634	1.7
193.12215	26.7
197.13327	2.6
211.13260	29.9
211.15094	2.5
215.18044	1.6
223.13278	2.1
227.12872	3.5
229.14398	4.6
229.19431	2.8
239.17984	3.7
247.20581	3.0
249.14827	1.5
257.18915	7.3
267.15872	37.1
268.16354	2.3
275.20035	100.0
276.20535	4.5
279.15878	1.7
285.16922	11.0
291.19293	2.0
293.21033	8.5
331.18506	1.4
349.23672	40.4
350.24084	2.0
355.17438	4.6
411.20093	4.8
413.17947	4.8
429.21173	34.1
429.26617	2.3
461.29367	1.5
541.35162	56.5
541.43549	2.9
542.35669	7.2
549.26495	4.2
559.36304	18.0
565.25525	1.4
703.40381	37.7
704.40472	3.8
721.37555	63.3
722.38025	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	721.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
53.03937	5.8
55.01867	6.1
55.05508	25.7
57.03431	10.9
57.07069	4.0
59.04990	1.8
61.02922	3.4
65.03933	5.3
67.05497	77.5
69.03418	17.7
69.07061	24.6
71.04984	30.8
71.08611	3.3
71.42307	1.4
73.02918	2.2
77.03915	1.5
79.05484	57.3
81.03411	35.5
81.07047	100.0
82.03718	1.7
82.07383	2.9
83.04962	13.1
83.08615	13.9
85.02891	8.1
85.06544	8.8
86.09641	1.4
91.03970	2.5
91.05471	65.1
93.07034	57.3
95.04963	15.4
95.08591	38.2
97.02874	14.7
97.05990	1.7
97.06506	10.3
97.10168	5.2
99.04448	6.0
99.08082	4.2
103.05457	3.3
105.04514	4.6
105.07015	56.0
107.04961	5.9
107.08578	35.8
109.02886	6.1
109.06509	4.8
109.10149	15.8
111.04436	3.8
111.08084	5.5
111.67277	1.4
113.09600	1.5
115.05462	2.2
117.07016	20.5
119.08567	37.6
121.06530	3.2
121.10131	24.2
123.08099	4.9
123.11687	11.9
125.09621	3.5
127.03905	4.5
127.07488	1.7
128.06224	2.3
129.05467	2.9
129.07004	15.5
131.04970	2.3
131.08559	33.9
133.10114	30.2
135.08086	3.5
135.11673	17.1
137.13208	1.7
138.21622	1.4
141.06969	7.2
142.07753	3.1
143.08531	15.4
145.06485	2.1
145.10081	24.9
145.11179	1.4
147.08075	3.1
147.11665	22.3
149.09628	3.5
149.13228	10.4
151.11182	5.2
153.12743	2.0
155.08514	9.0
156.09390	1.9
157.10098	18.2
157.91316	1.5
159.08003	2.7
159.11676	24.1
160.92836	1.5
161.09621	2.1
161.13226	10.0
163.11208	4.0
163.14807	2.5
165.07001	2.3
165.12784	4.5
167.08580	4.2
169.10123	10.0
171.08121	2.1
171.11659	14.1
173.04459	13.8
173.09592	2.0
173.13260	12.2
175.11221	3.7
175.14815	5.4
177.12753	5.1
179.08530	1.9
179.14352	3.6
181.10097	5.5
183.11673	8.5
183.13873	2.1
184.07335	6.0
185.09541	1.5
185.13222	9.7
187.11218	2.7
187.13249	5.2
187.14848	4.8
189.12738	2.3
189.16173	1.8
193.10233	1.8
193.12230	4.8
195.11743	5.7
195.13799	3.4
197.13300	4.7
199.14841	7.4
201.12738	1.3
201.14769	2.0
203.14369	1.6
207.11774	2.0
207.17480	2.7
209.13263	4.2
211.14911	3.6
213.16418	3.0
223.14828	3.0
225.14784	3.5
227.12573	1.9
227.16348	3.8
229.14160	2.2
231.20987	1.7
237.16454	1.8
241.19484	5.1
243.15738	6.9
251.18172	1.9
256.26178	1.5
257.17175	3.0
259.20837	8.9
261.22195	4.9
267.15933	4.4
269.17398	3.1
271.20490	1.5
275.20114	5.8
277.21591	4.0
285.22067	2.6
291.19437	2.7
299.18481	2.2
301.19888	3.6
313.21490	1.6
315.23157	3.0
317.19470	2.3
317.24741	2.6
325.21503	2.4
333.24188	4.8
335.25818	2.2
339.23337	2.0
343.22604	1.8
349.21310	2.4
351.23114	2.4
367.22565	5.3
369.24319	2.2
375.25092	1.7
403.24472	1.8
409.30682	2.1
411.32837	2.5
435.32529	3.4
445.23901	2.3
485.36139	2.9
501.35745	21.8
502.35873	2.7
503.37286	38.4
504.37088	2.0
527.37292	39.2
528.37653	2.8
533.37659	2.9
541.35333	4.2
559.39313	6.7
635.39227	3.3
653.40125	4.5
655.42029	2.7
667.41107	4.8
671.41467	7.2
685.42694	5.0
689.42639	9.4
703.40814	4.3
721.46320	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	721.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49677	3.1
53.03942	6.5
55.01871	3.8
55.05503	29.8
57.03426	22.0
57.07074	13.9
61.01911	3.0
65.03931	5.2
67.05499	100.0
67.05861	5.6
69.07063	30.9
69.19759	18.7
71.04980	5.8
71.08619	10.6
79.05486	94.0
79.73245	2.8
81.03407	31.4
81.07050	83.3
82.03707	4.0
82.07421	3.7
83.04968	18.5
83.08620	21.9
85.02887	11.2
85.06542	4.6
85.10168	4.9
86.09694	4.3
91.05469	77.6
92.05831	3.2
93.07032	94.0
95.04953	31.4
95.08590	51.1
97.06503	4.4
97.10175	7.3
99.08076	3.2
103.23041	3.2
105.04518	5.2
105.07017	43.7
107.04958	7.6
107.08579	31.2
109.06519	7.1
109.10130	16.4
111.08092	6.0
117.06990	11.1
119.08578	33.9
121.10130	16.9
123.08040	6.0
123.11668	6.3
125.00045	4.4
125.07072	3.1
128.06239	3.1
129.06973	19.4
131.08566	8.7
133.10117	21.0
135.11687	9.5
137.13147	2.9
143.08548	9.4
145.10156	14.3
147.07970	5.5
147.11668	33.4
149.31645	3.2
152.95969	3.2
156.89790	2.9
157.10127	4.7
159.11694	4.3
161.13249	10.8
171.11626	19.7
172.77274	3.1
173.13271	3.1
175.11136	4.1
184.07333	7.7
189.12750	7.6
193.12292	6.9
194.12643	3.7
207.12070	4.0
207.13757	19.7
208.90669	2.9
211.13246	14.3
212.13622	6.3
243.21072	5.4
267.15775	3.5
281.17462	35.6
285.16891	12.9
286.17261	7.2
313.27341	10.4
314.27692	12.9
335.25757	47.4
523.39380	4.2
524.40295	22.4
541.38873	80.6
542.39178	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	722.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86660	1.0
53.03935	3.5
53.53632	0.8
55.01873	4.8
55.05301	0.8
55.05511	10.9
57.03434	10.4
57.22416	0.8
59.04985	1.2
61.02913	1.3
65.03926	1.2
67.05497	17.9
69.03422	3.0
69.07065	5.3
71.04987	3.2
73.02906	1.1
73.38713	1.3
77.03926	1.2
79.05483	25.9
81.03410	56.5
81.07048	20.7
83.01325	1.0
83.04977	7.6
83.08612	14.7
85.02899	5.6
85.06539	0.9
91.05470	20.5
93.07030	27.1
95.04961	22.2
95.08015	1.8
95.08601	22.7
95.09206	1.2
97.02874	5.9
97.06524	6.6
97.10160	3.6
99.04443	2.9
102.52536	0.9
105.07012	14.1
107.04945	12.5
107.08578	19.1
107.09258	1.6
109.02888	0.9
109.06503	5.2
109.10155	3.2
111.04420	5.3
111.08089	5.7
115.05457	1.3
117.07014	6.5
119.08571	13.8
121.06503	5.9
121.10124	12.0
123.08054	2.9
125.05963	2.8
125.09631	2.5
129.07010	7.4
130.07813	1.2
131.08533	7.7
133.06477	2.0
133.10081	5.8
135.08029	2.9
135.11682	26.6
135.35658	0.9
139.07504	1.6
142.07739	1.1
143.08546	1.0
145.10110	16.5
147.08035	3.7
147.11697	6.0
149.09630	4.1
153.01805	3.6
153.12718	2.1
155.08556	1.2
157.10139	6.6
163.11165	38.4
165.12798	1.6
173.09619	2.6
175.11133	7.2
181.12216	6.7
191.10745	2.1
193.12230	18.1
200.01848	0.9
209.11720	3.2
211.13234	9.0
221.05724	0.9
223.13361	2.6
227.12762	34.5
228.13246	1.7
241.14293	4.1
249.14883	1.2
260.95984	1.0
265.14270	1.4
267.15881	76.0
268.16275	2.8
273.14890	1.6
283.15369	51.4
284.15671	1.7
285.17004	8.5
315.18106	5.0
365.21033	0.9
383.21939	4.5
401.23178	2.0
439.24670	1.8
457.25763	9.9
475.26846	100.0
476.27078	5.2
489.27930	1.1
493.27869	12.6
507.29391	2.4
517.27893	1.4
525.30615	11.4
526.30609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
53.65460	1.1
55.01867	9.3
55.05506	16.5
57.03433	14.4
57.90284	1.2
59.04995	3.2
59.53254	1.1
60.43623	1.3
65.03917	1.7
67.05501	19.1
69.03426	2.2
69.07055	7.0
70.23496	3.0
71.01350	1.7
71.04968	3.1
71.62757	1.3
73.02934	1.3
79.05489	23.3
81.03413	58.0
81.07049	21.9
83.01340	5.3
83.04995	10.7
83.08612	18.0
85.02904	3.8
85.89503	1.2
91.05473	21.6
93.07045	19.6
95.04969	22.8
95.08610	9.3
97.02882	3.2
97.06542	5.2
97.10182	9.1
99.04447	1.8
101.15507	1.2
103.05473	1.6
105.07018	13.5
107.04945	11.2
107.08590	10.5
109.06519	7.1
109.10168	7.0
111.04452	3.0
111.08075	5.4
116.07840	1.4
117.07004	6.3
119.04906	1.4
119.08583	13.3
121.06499	4.0
121.10134	8.4
123.04443	1.6
123.08059	5.0
125.05943	1.7
125.09629	7.4
129.06998	7.4
131.04901	1.8
131.08563	7.2
133.06499	2.7
133.10109	5.8
135.08026	3.0
135.11668	7.9
137.09605	1.5
143.08556	1.8
145.06543	2.8
145.10100	11.4
147.04446	2.1
147.08038	5.4
147.11676	5.9
149.09589	3.6
153.12755	3.7
155.08574	2.2
157.06520	2.3
157.10081	6.5
161.06012	3.7
163.11159	17.0
173.09642	3.3
175.11200	4.2
181.12328	2.3
184.77371	1.3
189.09154	1.8
191.10583	1.6
193.12241	14.0
199.11362	1.4
209.11722	2.7
209.81296	1.3
210.38959	1.4
211.11308	1.9
211.13206	1.6
221.09454	1.4
227.12770	4.5
231.13914	2.6
249.14812	1.4
261.44016	1.4
267.15903	32.5
273.14780	2.3
283.12561	1.9
283.15396	23.5
289.14328	3.5
337.21616	2.0
355.22662	2.8
365.20999	4.4
383.22177	22.0
401.23135	8.3
403.36914	1.2
419.24216	2.2
439.24792	3.1
457.25757	30.7
458.25934	1.9
475.26880	100.0
476.27234	6.5
493.22064	1.6
493.28012	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	722.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05505	0.3
56.05026	0.5
57.07055	0.4
58.06581	1.5
59.07366	0.9
60.08159	5.9
67.05499	0.6
71.07367	3.5
71.08628	0.2
79.05477	0.4
81.07038	0.7
82.26991	0.2
83.08602	0.2
85.10153	0.2
86.09698	29.8
87.10012	0.2
89.06028	0.5
91.05466	0.4
93.07014	0.5
95.08580	0.3
98.23502	0.3
98.98450	3.2
104.10732	2.5
105.07021	0.3
124.99994	20.3
128.53288	0.2
133.08600	0.3
133.10098	0.2
143.01015	0.2
153.09180	0.2
163.01524	0.3
163.14635	0.2
176.75371	0.2
184.07324	100.0
185.07683	0.9
202.92203	0.2
214.32939	0.2
222.08957	1.1
227.12578	0.2
238.08511	0.2
240.09866	0.3
282.10974	0.2
291.23285	0.2
313.27490	0.2
354.13089	0.4
424.76419	0.2
478.32819	0.2
484.46396	0.2
492.03104	0.2
501.83136	0.2
505.13770	0.2
532.85272	0.2
550.35095	0.2
577.94025	0.2
595.70715	0.2
722.45947	5.2
723.42914	0.6
754.20099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2404
Annotation	(+)-Jasplakinolide W
Peak:m/z	Relative Intensity
50.67597	0.2
51.14308	0.3
53.94917	0.3
69.83292	0.9
76.35152	0.3
79.05434	0.3
90.93889	0.3
91.05469	0.4
98.23380	0.5
103.05456	0.5
107.04891	0.3
119.04942	0.5
129.89699	0.3
131.04950	0.7
137.06000	0.3
147.04427	1.1
154.73427	0.3
159.04147	1.4
163.07523	0.3
171.04239	0.5
175.03725	0.7
177.05469	0.4
185.05713	0.7
201.05200	0.4
365.09970	0.7
379.11603	0.3
380.12402	0.9
381.13495	0.4
422.86227	0.3
591.95575	0.3
642.27008	0.3
676.78943	0.3
723.23999	100.0
724.24341	6.7
724.36841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
55.05503	3.8
57.03436	3.1
57.07080	1.5
57.33466	1.0
59.05028	0.9
61.02924	4.8
66.72157	0.9
67.05495	17.6
67.05825	1.7
69.03413	5.0
69.07062	3.1
71.01359	1.1
71.04970	1.2
71.08638	1.6
71.41461	1.0
73.02922	4.2
79.05479	10.2
81.03412	5.6
81.07045	10.1
83.04994	2.1
83.08628	3.4
85.02883	6.3
91.03929	5.0
91.05466	8.2
93.07041	8.3
95.04993	4.5
95.08604	5.3
97.02863	6.7
97.06570	1.7
97.10167	1.4
99.04481	1.5
99.08084	1.9
101.02383	1.7
105.07014	4.9
107.04964	2.2
107.08598	4.9
109.02892	1.2
109.10136	10.8
117.07067	1.5
119.08585	3.7
121.10167	2.5
127.03933	3.6
129.05530	1.5
129.07008	1.9
131.08583	2.1
133.10132	1.9
135.11740	2.8
143.08568	1.4
145.10136	2.5
147.11720	3.0
161.13316	2.0
163.11214	1.4
166.82756	1.0
171.11765	2.4
173.11816	3.9
179.14368	1.9
184.07387	3.9
185.04242	1.4
193.12247	1.2
195.09932	1.9
201.03770	1.2
207.13937	1.4
243.08519	4.7
247.13063	3.0
267.16058	3.5
277.21744	1.8
283.15247	1.0
301.09030	3.3
315.10477	1.5
351.25290	1.5
373.11386	2.8
385.18387	1.3
410.15845	1.3
413.17761	21.7
414.18066	1.7
465.20831	12.0
465.25879	1.0
475.26956	1.5
481.20392	1.6
485.19910	1.2
495.22040	1.9
503.26419	1.2
533.27399	1.8
543.36908	7.0
551.27655	1.9
565.29889	4.9
579.31549	3.2
607.30902	2.3
608.31653	2.1
609.32715	1.5
625.32007	4.2
637.31836	100.0
638.32129	9.9
677.38599	38.7
678.38715	2.1
705.37939	9.5
721.38434	1.2
723.38934	36.6
724.39319	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	723.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05503	2.3
56.68223	0.4
57.03428	2.1
59.04986	0.8
61.02921	5.3
62.36380	0.4
65.03925	0.4
67.05496	10.2
67.05863	0.5
69.03417	3.4
69.07064	1.7
70.84606	0.4
71.01347	0.7
71.04986	1.1
73.02903	3.7
79.05484	3.8
81.03424	2.5
81.07052	6.0
83.04962	0.9
83.08610	1.2
85.02898	5.9
87.04434	0.7
91.03941	3.2
91.05472	3.9
93.07035	4.0
93.56960	0.5
95.04952	1.2
95.08594	2.2
97.02881	5.2
97.06551	0.8
97.10191	0.5
99.04447	1.2
99.47917	0.4
101.02386	1.6
105.07011	2.3
107.04979	0.5
107.08610	2.0
109.02854	0.7
109.06490	0.7
109.10138	6.9
111.08134	0.6
112.97645	0.4
117.07011	0.6
119.08565	2.3
121.10112	1.4
125.09624	0.4
127.03913	1.2
131.08546	0.8
133.10139	1.1
135.11729	0.9
137.09650	0.7
143.08549	0.5
145.10109	1.0
147.11644	0.7
149.13264	0.5
153.02910	0.4
155.10701	0.6
161.45204	0.4
170.89983	0.4
171.66290	0.4
173.11810	2.4
184.07445	0.6
185.04189	0.7
195.09975	0.9
203.05278	0.8
243.08286	3.0
256.26434	0.8
267.16010	0.5
275.20319	0.5
277.21371	0.6
294.41431	0.5
333.20401	1.4
413.17740	10.2
414.18372	0.5
439.19147	0.6
453.20590	1.1
543.35907	0.7
551.28082	4.8
625.31934	1.4
642.50458	0.5
705.39081	0.6
719.11572	0.6
723.39136	100.0
724.39441	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	723.392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01862	0.9
55.05517	2.2
57.03433	2.2
59.05016	0.6
61.02921	5.0
61.96035	0.3
64.51834	0.4
65.03934	0.4
67.05500	10.6
68.05859	0.4
69.03413	2.7
69.07059	2.5
69.31122	1.1
69.31532	0.8
70.64410	0.3
71.04987	1.1
73.02914	2.8
79.05487	3.6
81.03419	2.7
81.07053	5.6
83.04972	0.5
83.08624	1.3
85.02901	4.8
85.06528	0.5
87.04460	0.5
91.03963	2.3
91.05466	4.1
93.07034	3.3
94.26744	0.4
95.04987	1.5
95.08624	1.6
97.02892	3.8
97.06540	0.9
97.10167	0.5
98.23415	0.8
99.04469	0.8
101.02351	2.1
105.07024	2.3
107.08598	1.9
109.02889	1.1
109.06568	0.5
109.10150	7.0
111.08108	0.6
117.07025	0.8
119.08589	2.0
121.10168	1.3
123.11743	0.5
125.09657	0.5
127.03981	1.0
127.96054	0.4
129.07040	0.4
131.08592	1.4
133.10185	1.5
135.08031	0.6
135.11702	0.6
145.10124	0.6
147.11690	0.5
149.13240	0.5
157.10194	0.7
163.11234	0.6
173.11809	1.5
184.07323	1.9
185.04344	0.5
189.11185	0.4
195.10020	0.4
203.05275	0.5
229.14412	1.2
243.08348	2.6
251.12657	0.5
275.20190	0.5
306.01520	0.4
333.20450	2.0
389.23062	0.5
413.17776	8.7
414.18170	0.6
439.19357	0.9
476.45569	0.4
543.36505	1.2
551.28448	5.6
561.35034	0.7
611.92114	0.4
723.39166	100.0
724.39459	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	723.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94714	1.3
52.50775	1.3
55.01873	2.2
55.05502	3.9
57.03427	3.6
57.07068	1.9
57.33179	1.3
61.02918	4.3
67.05504	11.1
69.03410	3.8
69.07048	4.7
71.04991	1.7
71.41796	1.4
73.02901	3.1
79.00076	1.6
79.05484	8.5
81.03407	7.3
81.07054	9.8
83.04975	2.6
83.08618	3.2
84.35508	1.4
85.02892	4.7
86.09725	1.5
91.03965	2.9
91.05470	5.9
93.07036	9.9
95.04963	3.4
95.08601	5.2
97.02879	5.9
97.06480	1.4
97.10177	2.0
101.02382	2.0
105.07018	4.8
105.95976	1.4
107.04953	1.7
107.08578	3.9
109.10149	4.8
111.08075	1.8
117.07034	1.8
117.45030	1.2
119.08563	3.4
121.10106	2.1
122.10467	1.3
125.09616	2.5
127.03892	2.5
127.28671	1.4
129.05470	1.8
131.08495	2.9
133.10129	3.3
135.11682	2.0
136.34607	1.2
137.09608	1.4
145.10118	2.4
147.11681	1.9
154.07901	1.3
159.11674	1.8
179.14227	1.8
184.07358	4.4
185.04178	5.6
201.03722	2.6
211.14923	1.4
243.08330	4.6
267.15833	3.2
277.21573	1.7
301.08899	10.5
313.08878	1.5
315.10339	2.4
354.96170	1.3
371.16782	2.3
373.10965	5.2
385.18478	6.3
413.17810	1.8
429.17221	2.3
429.26099	2.0
455.18661	1.7
465.20920	3.0
475.26764	2.0
481.20432	3.6
495.22073	8.2
496.22736	2.6
511.22241	1.5
515.33313	2.2
524.22003	4.6
533.27142	2.3
539.28009	3.1
543.36658	4.9
565.29803	13.5
579.31311	9.3
580.31653	3.8
608.31879	2.4
637.31763	5.8
677.38617	100.0
678.38977	7.7
685.52081	1.7
705.37933	2.0
721.37439	6.4
723.39099	23.0
724.39099	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4285
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
53.03938	0.6
53.24588	0.3
55.01862	0.6
55.05514	2.3
57.03444	2.6
57.07073	0.6
60.08163	0.2
61.02923	4.5
67.05499	3.6
69.03431	2.9
69.07066	2.6
71.01337	0.2
71.04988	0.7
71.07372	0.3
71.08656	0.3
73.02912	3.4
79.05492	2.9
81.03414	3.5
81.07054	4.6
81.07504	0.4
83.04990	0.6
83.08618	2.3
85.02901	6.0
85.10153	0.3
86.09692	1.3
87.04476	0.5
89.06055	0.3
91.03946	3.2
91.05477	2.5
93.07050	2.2
95.04951	1.6
95.08578	1.8
97.02885	4.7
97.06509	0.6
97.10177	1.0
98.98463	0.3
99.04466	0.8
99.08091	0.3
101.02376	2.1
103.47717	0.2
105.07028	2.1
107.04973	0.4
107.08578	1.5
109.02892	0.9
109.06561	0.5
109.10166	0.9
111.08094	0.7
111.11758	0.3
115.03931	0.3
117.06990	0.4
119.08582	1.4
121.10130	1.7
123.08121	0.3
123.11758	0.7
125.00016	1.0
125.09652	0.3
127.03913	1.5
129.07039	0.5
131.08601	0.8
133.08620	0.4
133.10155	1.1
135.11711	1.1
137.09581	0.3
145.04878	0.4
145.10178	0.5
147.11719	0.9
149.09677	0.3
149.13347	0.4
150.71513	0.3
157.10146	0.8
163.11183	0.4
175.11148	0.4
184.07317	4.9
184.08844	0.3
185.04224	0.5
185.07697	0.7
193.12294	1.2
203.05289	0.4
211.13377	0.6
219.20987	0.3
227.12733	0.5
237.22099	0.3
243.08365	2.3
249.79408	0.2
251.12582	0.8
307.15277	0.4
311.25757	0.7
335.25659	0.3
368.34869	0.3
437.43808	0.3
469.20407	8.7
470.20773	0.5
495.29190	4.2
518.91968	0.3
541.18610	0.3
627.90326	0.3
723.42798	100.0
724.43097	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	723.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01857	0.6
55.05508	2.3
57.03432	2.1
57.07063	0.9
60.08154	0.4
61.02920	5.4
67.05499	4.2
69.03424	3.5
69.07065	3.6
71.01353	0.5
71.04990	0.7
71.07357	0.4
71.08636	0.8
73.02911	3.6
79.05491	2.6
81.03407	2.8
81.07051	4.1
82.99895	0.3
83.04987	0.8
83.08607	2.7
85.02895	6.1
85.10196	0.5
86.09693	2.3
87.04477	0.6
87.10022	0.5
89.06025	1.2
91.03941	3.4
91.05463	2.2
93.07027	2.8
95.04980	1.1
95.08594	3.5
97.02884	4.4
97.06538	0.7
97.10165	1.9
98.22704	0.8
99.04447	1.0
101.02369	1.5
103.03966	0.3
105.07037	1.7
107.04965	0.4
107.08566	1.7
109.02881	0.7
109.06522	0.4
109.10133	1.5
117.07036	0.4
119.08573	1.4
121.06477	0.3
121.10148	2.3
123.11752	0.6
124.99960	2.2
125.09650	0.4
127.03905	1.6
129.05476	0.4
129.06967	0.4
131.08598	0.6
133.08626	0.7
133.10136	0.8
135.11673	1.9
137.13271	0.7
145.04982	0.5
145.10161	0.4
147.11688	0.3
149.13248	0.6
157.10207	0.4
170.07506	0.3
170.64130	0.3
184.05699	0.5
184.07323	8.6
184.08855	0.6
185.04297	0.7
185.07663	1.4
193.12271	0.4
237.22237	0.6
243.08363	1.7
247.20888	0.3
251.12561	1.0
311.25952	1.1
369.93372	0.3
378.22397	0.3
383.24368	0.4
444.50632	0.3
469.20367	2.8
495.29181	8.2
609.44531	0.3
723.42792	100.0
724.43195	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	723.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01858	7.9
55.05509	30.3
57.03430	18.0
57.07074	5.0
59.04983	2.8
60.83902	2.3
61.02913	6.7
61.07346	2.7
65.03929	4.4
65.71288	2.5
67.05157	5.7
67.05502	73.7
69.03419	7.0
69.07065	24.8
71.04976	9.1
73.02911	3.8
79.05486	59.3
81.03412	33.5
81.07051	57.3
83.04981	13.5
83.08619	24.4
85.02897	11.8
85.06514	3.9
91.03925	3.8
91.05469	73.5
93.07037	55.6
95.04961	28.0
95.08606	42.9
95.89567	3.1
96.08907	3.2
97.02888	8.9
97.06528	11.2
97.10162	8.5
99.08052	3.4
105.03363	3.0
105.06343	4.9
105.07016	59.3
107.04942	9.3
107.08591	36.0
109.02876	3.7
109.06511	6.7
109.10148	34.8
111.08080	9.3
115.05430	4.1
117.06254	4.8
117.07000	29.8
119.08563	51.6
121.06503	3.7
121.10140	21.4
123.08019	6.9
123.11629	4.1
125.09623	9.6
127.03914	3.2
128.06236	5.8
129.07011	29.7
131.08559	36.7
133.10130	34.1
135.08032	8.2
135.11682	11.6
136.52539	2.9
137.09668	5.5
141.06955	6.9
142.07819	4.1
143.08549	25.7
145.10132	27.7
147.11668	21.2
149.09618	6.0
149.13252	8.4
155.08539	17.6
157.10106	27.8
158.10532	2.8
159.11691	22.7
161.09619	3.2
161.13269	12.8
163.11183	3.7
167.08574	8.8
169.10130	18.1
171.11716	17.7
173.09679	3.2
173.11847	3.6
173.13281	7.9
175.11195	10.3
175.14790	6.9
177.12770	3.0
181.10100	10.1
183.11653	12.2
184.07407	3.6
185.13237	15.6
187.14792	7.2
189.11264	5.9
193.10561	3.9
193.12247	17.8
195.11717	11.2
197.13263	8.2
199.14812	6.6
207.11636	4.8
209.13223	9.6
211.13234	12.7
211.14954	6.0
213.16533	2.8
223.14803	4.4
225.16353	3.9
227.12651	4.6
229.14334	8.0
231.21048	3.0
235.14671	3.5
237.16440	3.6
241.19510	12.8
257.18958	4.1
259.20587	24.4
267.15958	12.2
275.20184	3.9
277.21735	3.8
285.17004	12.6
297.22162	6.2
299.23679	4.3
313.21725	4.2
315.23215	8.3
333.24176	14.0
367.81149	2.9
369.76089	2.9
415.29834	6.0
423.32333	4.2
433.31015	12.9
445.29520	3.6
451.31934	11.7
469.33054	4.9
489.33319	3.9
507.34506	7.1
515.37201	3.1
525.35712	48.5
526.35944	6.5
543.36749	100.0
544.37018	13.8
561.37952	18.5
616.04651	3.0
658.38275	3.3
723.39166	45.1
724.39069	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	724.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43982	1.7
53.03943	6.6
53.84145	1.6
55.01874	16.1
55.05256	2.8
55.05508	37.4
57.03178	3.0
57.03434	31.7
57.07076	2.8
59.04990	4.0
61.02910	5.6
65.03951	2.9
67.05501	63.9
69.03422	9.5
69.07061	15.7
71.01340	4.9
71.04986	8.5
72.83273	1.7
73.02886	2.8
75.26383	1.9
79.05040	3.3
79.05489	60.9
81.03410	100.0
81.07053	60.0
82.03726	2.2
83.01330	4.6
83.04977	27.2
83.08614	33.1
85.02898	26.2
85.06535	2.3
86.09707	2.4
91.05475	58.5
91.06050	3.0
92.05837	2.1
93.07040	54.3
95.04353	2.2
95.04961	43.7
95.08601	24.6
97.02885	19.0
97.06514	11.7
97.10172	15.0
99.04426	2.4
99.08167	1.7
103.03978	2.2
105.07028	33.5
107.04953	22.8
107.08585	29.2
109.02827	4.2
109.06515	12.4
109.10147	27.1
111.04452	15.3
111.08083	13.7
113.06004	3.6
115.05405	2.2
116.04694	2.2
116.06200	2.5
117.06995	14.6
119.08578	34.4
121.06491	8.0
121.10136	23.7
123.04377	3.7
123.08071	12.3
123.11672	3.1
125.09603	13.6
127.03928	2.9
129.05461	7.8
129.06990	14.2
130.53568	1.8
131.04948	3.3
131.08546	20.8
133.06468	6.4
133.09180	2.3
133.10133	23.4
135.08087	4.6
135.11665	17.3
137.09593	6.0
142.07826	3.2
143.08551	4.8
145.06485	3.2
145.10121	21.2
147.08041	11.7
147.11668	14.6
149.09615	10.4
151.11127	3.5
153.01814	16.0
153.12711	7.7
154.02156	3.2
155.08562	2.6
157.08917	2.5
157.10136	15.3
159.08011	2.0
159.11679	2.9
161.09581	4.4
163.11177	31.8
165.12717	4.2
169.10052	2.3
173.09612	9.2
173.11794	3.8
175.11150	15.9
179.10689	3.0
181.12215	8.4
184.07312	5.6
189.11250	6.2
191.10661	11.0
193.12219	40.1
199.13329	3.9
209.11710	26.6
211.13283	28.0
217.12189	3.0
219.13780	2.0
225.11212	1.9
227.12743	24.1
229.14307	14.7
231.02850	2.1
265.14368	4.6
267.15891	65.3
268.15976	3.0
273.14886	3.5
283.15366	55.7
285.16986	31.5
299.14813	6.5
301.16452	35.2
341.20767	1.9
349.21646	4.0
355.17740	2.5
367.22452	8.9
370.05051	2.0
385.23660	9.3
403.24667	2.4
425.25031	2.3
432.08099	1.8
433.25723	3.9
437.25339	9.0
441.26459	2.8
455.26306	3.5
459.21436	3.6
459.27405	54.9
460.27612	3.6
473.25620	3.2
477.28412	70.6
478.28787	2.2
491.26157	16.4
492.26440	2.6
495.29492	7.5
509.27304	41.6
510.27914	2.8
527.28571	13.0
533.12701	2.1
639.33899	2.2
669.43567	2.2
724.40637	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	724.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05704	0.8
53.03944	2.6
55.01863	3.3
55.05507	11.6
57.03437	10.1
57.78223	1.0
60.11080	0.9
65.53545	1.0
67.05497	17.8
69.03405	3.0
69.07082	4.8
69.09098	0.9
70.66763	1.3
71.04975	3.6
79.05486	17.2
81.03410	82.9
81.07050	18.4
81.44820	1.0
83.04977	11.3
83.08616	20.5
85.02904	8.1
88.63583	0.9
91.04932	1.9
91.05476	23.4
93.07041	14.2
94.07362	0.8
95.04963	27.5
95.08607	7.1
97.02898	2.6
97.06515	2.4
97.10160	5.1
105.04508	1.1
105.07023	17.0
107.04935	8.5
107.08580	6.1
109.06513	4.7
109.10119	2.9
111.04417	1.5
111.08085	8.7
115.05443	1.1
117.07012	2.4
119.08574	16.1
121.06508	3.2
121.10133	7.0
123.08063	2.3
123.11640	1.5
125.09619	3.6
129.06992	11.9
131.08559	11.2
133.06499	3.9
133.10130	7.3
137.05983	1.2
137.09596	1.4
142.07773	2.7
143.08572	1.4
145.06487	5.7
145.10126	2.8
147.08015	3.3
147.11665	9.9
149.09605	6.1
157.06490	1.4
157.10104	13.5
161.06050	1.2
163.11140	1.6
165.12735	2.9
171.07930	1.3
171.11646	1.3
175.11145	11.4
183.08020	1.1
185.13155	1.1
187.11098	1.5
189.11206	1.2
193.12216	30.6
194.12560	1.2
195.11618	1.5
199.11267	1.2
211.13240	14.9
213.12709	1.2
229.14215	1.4
249.14841	2.4
255.13846	1.6
264.91278	0.9
267.15891	100.0
268.16202	3.3
273.14789	5.1
285.16980	11.9
339.23047	1.1
349.21658	3.3
367.22687	10.6
368.22900	1.0
385.23621	11.4
403.24905	4.0
415.24713	1.3
415.89090	1.1
433.25812	12.6
441.26312	4.9
455.64197	1.0
459.27380	65.5
460.27771	5.8
477.28409	40.5
478.28439	3.0
491.29797	1.0
519.29651	1.1
585.30316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.7
57.03439	3.5
61.02918	2.7
67.05495	59.8
69.03440	3.2
69.07057	6.4
71.04986	45.5
79.05489	19.2
81.07050	100.0
83.04983	5.7
83.08593	10.2
85.02896	3.0
85.06541	8.2
89.41659	2.5
91.05469	33.9
93.07030	19.6
95.04948	4.4
95.08598	12.2
97.02845	2.6
97.06520	7.6
105.07011	13.7
107.08562	18.6
109.10154	10.1
111.08070	2.9
117.07011	5.0
121.10111	3.6
123.11705	21.5
131.08557	6.8
132.12323	2.5
133.10101	32.0
135.11668	3.7
149.13277	8.3
151.11172	17.1
159.11699	7.8
177.12750	4.8
183.13808	9.0
187.13295	7.3
187.14937	2.3
194.05684	2.3
195.13799	3.9
225.14748	3.5
239.35847	2.3
269.17615	3.6
298.36246	2.3
301.20071	25.6
425.29175	4.2
437.28873	7.7
451.30634	11.3
463.30368	8.1
469.31555	78.1
470.31836	2.7
483.33264	9.4
495.33090	53.9
496.33435	4.6
527.28040	4.2
527.35718	67.8
528.36407	2.9
616.60858	2.3
619.20465	2.3
687.37122	2.6
707.66071	2.1
724.27338	2.5
724.39154	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	724.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05023	0.6
58.06350	0.2
58.06628	0.4
59.07391	0.1
60.08160	5.2
61.08514	0.1
67.05500	0.9
69.03407	0.2
69.07062	0.3
70.66267	0.1
70.66622	0.2
71.07368	3.6
74.16945	0.1
79.05488	0.6
81.03408	0.4
81.07037	0.8
83.04970	0.2
83.08602	0.2
83.81632	0.2
86.09698	27.1
87.10047	0.4
90.27661	0.1
91.05478	0.5
93.07040	0.5
95.04954	0.3
95.08595	0.5
98.98461	2.7
104.10732	2.0
105.07022	0.3
107.08616	0.4
109.10109	0.3
117.06980	0.1
119.08598	0.4
124.99994	18.9
125.09631	0.2
131.08572	0.2
133.10135	0.3
135.11725	0.2
143.01057	0.2
147.11702	0.2
171.22514	0.2
178.42496	0.1
184.07326	100.0
185.07686	1.6
186.07852	0.2
210.97429	0.1
240.80534	0.2
291.19318	0.2
338.66489	0.2
339.35651	0.1
604.86426	0.2
613.93744	0.2
688.45422	5.7
689.44818	0.5
724.37134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
54.67227	0.4
55.01864	0.5
55.05504	1.4
56.13383	0.4
57.03423	1.5
57.59259	0.4
59.04998	0.8
61.02917	3.3
65.24337	0.4
66.10789	0.4
67.05499	3.5
68.88070	0.3
69.03410	2.2
69.07072	0.9
70.67301	0.7
70.67622	0.4
71.01343	0.6
71.04970	1.3
73.02911	3.0
79.05486	5.8
81.03407	3.6
81.07059	3.8
83.04994	0.5
83.08610	1.1
85.02897	4.4
87.04481	0.6
91.03947	2.4
91.05460	3.4
93.07043	3.3
95.04959	1.9
95.08591	1.0
97.02903	3.4
97.06541	0.6
99.04458	0.6
101.02375	1.5
105.06998	3.2
107.04931	0.8
107.08593	1.5
109.02870	0.6
109.06505	0.5
115.03935	0.5
117.07021	0.6
119.08549	2.0
121.10161	1.6
123.08015	0.4
127.03981	0.6
129.07034	1.0
130.53020	0.4
131.08569	1.6
133.10146	1.3
145.10152	0.7
147.11678	2.3
149.09618	1.4
157.10187	0.8
161.13205	0.6
163.11188	0.5
171.11729	1.1
185.04335	0.4
193.12315	1.0
203.05339	0.5
243.08374	2.4
247.13133	1.1
267.15909	0.7
281.17599	0.6
283.15030	3.1
303.15610	0.5
328.34879	0.4
377.23434	0.4
446.37738	0.4
465.20905	9.5
466.21442	0.7
501.23029	8.1
501.29697	0.7
502.23389	0.6
507.96021	0.4
521.84515	0.5
523.02563	0.4
725.37067	100.0
726.37518	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	725.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
57.03411	2.7
57.07080	2.6
61.02922	4.5
65.85020	2.0
67.05505	6.7
69.03430	5.5
69.84900	5.6
69.85262	4.7
71.08640	3.5
73.02928	3.9
81.03415	5.8
81.07074	6.5
83.08628	7.1
85.02906	5.2
91.05499	3.5
93.07050	2.7
95.04969	3.2
95.08603	3.6
95.84875	2.2
97.02893	7.6
98.23325	3.7
98.56454	2.3
105.07019	3.8
107.08578	3.4
124.99960	2.8
131.08606	2.5
134.09676	4.2
139.23373	2.1
144.08011	3.0
160.11189	16.4
161.11559	6.6
196.67586	2.4
209.93222	2.3
214.24222	2.4
243.08426	2.4
251.12532	3.3
251.43039	2.1
258.08994	15.3
259.09283	7.1
469.20331	11.7
497.30905	5.5
529.38477	2.9
572.75616	2.8
725.44293	100.0
726.44324	10.2
739.47375	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	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.01868	9.8
55.05505	42.7
57.03431	27.6
57.07049	1.7
59.04995	2.3
61.02905	4.6
65.03934	3.5
67.05499	85.2
68.05827	1.4
68.49152	1.4
69.03419	11.8
69.07061	18.7
71.01338	3.4
71.04981	8.4
73.02901	2.1
79.05486	59.4
79.89008	1.4
80.05827	2.3
81.03410	100.0
81.07047	58.5
82.03750	2.0
82.07378	2.8
83.04971	26.8
83.08613	38.2
85.02895	37.1
85.06535	5.2
86.09657	1.7
87.04456	3.4
91.03942	2.4
91.05473	63.0
92.05788	1.6
93.07034	46.1
94.05219	1.3
94.07348	2.0
95.04958	50.2
95.08599	24.0
97.02885	14.2
97.06522	10.9
97.10162	18.6
99.04431	1.9
103.03930	2.2
103.05465	2.5
105.04468	2.5
105.07015	42.1
107.04947	18.1
107.08585	23.5
109.02888	2.1
109.06512	9.3
109.10143	33.3
110.10443	1.7
111.04428	8.3
111.08067	12.5
113.05969	3.2
115.05450	3.4
117.07014	9.7
119.08574	32.0
120.08898	1.6
121.06476	6.5
121.10118	20.9
123.04414	2.2
123.08073	7.9
123.11687	4.0
125.05948	1.8
125.09616	14.7
127.03894	2.4
129.06990	19.0
129.48981	1.3
131.08557	22.1
133.06444	4.0
133.10104	22.0
135.08058	3.3
135.11653	8.9
137.05969	2.7
137.09613	5.0
139.11154	2.6
142.07739	4.1
143.08543	2.4
143.10623	1.4
145.06503	1.5
145.10115	12.2
147.08043	5.4
147.11667	18.2
148.12003	1.7
149.09605	14.0
151.11200	2.1
153.01849	1.9
153.09041	1.8
153.12740	3.4
155.10686	3.4
157.10141	17.6
158.10550	1.6
159.08054	1.3
161.09645	1.8
163.11150	13.8
165.12775	4.7
173.09637	3.7
173.11728	9.3
173.13023	1.7
174.56302	1.7
175.11168	19.3
176.11542	1.6
181.12187	4.1
184.07320	5.9
189.09088	2.4
189.11124	1.9
191.10616	9.3
193.12216	58.0
194.12596	2.8
199.13277	5.3
205.12209	2.0
207.13712	2.2
209.11713	21.8
211.13271	77.6
212.13586	4.2
213.41231	1.6
217.14288	1.6
227.12704	7.1
229.14316	35.8
235.13286	1.9
247.13387	1.5
249.14763	2.3
259.15244	1.6
265.14279	3.8
267.15881	36.7
268.16257	3.4
283.15417	22.2
284.15573	1.9
285.16931	57.6
286.17252	3.6
299.14783	3.3
300.15259	2.6
301.16428	28.3
302.16382	1.6
309.16708	2.3
383.21964	5.3
397.66284	1.3
401.23041	4.1
421.25784	6.3
427.26730	2.5
439.20645	1.6
439.26859	29.5
440.27112	1.8
444.23538	1.5
451.26862	2.0
457.25833	12.6
475.26822	37.1
477.28207	1.6
493.27945	30.5
509.27234	2.9
510.27591	3.6
511.28885	63.4
512.29095	4.0
529.29761	3.6
533.61493	1.4
726.38092	2.7
727.30481	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	726.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45423	2.1
53.03943	6.7
55.01861	12.2
55.05510	35.6
55.77266	2.3
57.03436	23.4
57.97524	2.2
59.54687	2.4
61.02922	6.3
65.03918	3.6
67.05502	66.9
69.03428	7.0
69.07072	13.9
69.61015	2.1
70.67171	3.6
71.01311	3.7
71.04987	7.0
73.02907	3.7
78.48605	2.2
79.05489	47.1
81.03412	100.0
81.07051	46.6
81.07501	3.6
83.04967	21.8
83.08613	28.8
85.02894	19.0
85.06558	3.4
87.04458	3.2
91.05477	46.6
93.07030	37.4
95.04958	42.6
95.08596	18.5
97.02889	9.1
97.06523	11.9
97.10192	14.2
99.04467	4.6
99.08108	2.7
101.06007	2.4
105.04556	4.2
105.07018	29.6
107.04946	19.3
107.08593	21.4
108.77994	2.2
109.02880	2.3
109.06513	8.7
109.10157	26.8
111.04439	8.9
111.08067	12.8
113.06037	3.4
115.05478	2.1
116.04721	8.2
117.07008	9.4
119.04889	2.0
119.08565	28.5
121.06516	6.5
121.10143	17.6
123.08045	7.9
125.09632	13.9
129.05492	17.6
129.06987	16.4
131.08571	19.1
133.06497	7.0
133.10100	13.7
135.08084	5.6
135.11691	14.5
137.09590	5.0
143.06970	2.7
145.10120	11.1
147.04391	2.9
147.08064	6.4
147.11678	18.4
149.06050	2.4
149.09613	8.2
151.11119	3.6
153.12775	12.3
155.10606	3.4
157.08617	7.9
157.10121	13.3
163.11154	17.7
165.12781	3.3
166.46948	2.9
173.09610	4.8
173.11719	7.0
173.13171	2.4
175.11191	17.1
181.12201	12.9
184.07359	5.0
185.43257	2.1
186.75046	2.8
189.11206	6.5
191.10669	11.0
193.12228	49.6
199.13321	6.1
209.11723	11.1
211.13263	54.6
227.12793	24.5
229.14316	30.8
247.13333	11.9
249.14925	2.7
255.15826	3.4
265.14395	3.0
267.15881	57.6
283.15384	19.2
284.15808	2.4
285.16934	32.5
301.16452	35.1
302.22198	2.0
321.17072	6.4
324.31949	2.3
365.21277	2.7
383.22156	3.1
401.23029	4.0
421.25717	4.8
439.26828	20.9
449.35696	3.0
457.25589	3.7
475.27020	18.4
476.27649	4.0
493.27872	31.6
511.28983	22.5
512.29114	2.4
515.70654	2.4
594.95844	2.3
727.34125	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	726.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01876	10.8
55.05505	52.5
57.03431	29.1
57.07066	1.9
59.04993	4.0
61.02898	4.5
65.03922	2.8
66.29533	1.7
67.05495	100.0
69.03404	8.5
69.07057	13.5
71.01325	2.3
71.04972	9.0
73.02895	2.0
73.04800	1.3
79.05483	56.4
81.03410	83.5
81.07047	55.4
82.03757	2.2
83.04973	23.5
83.08612	39.2
85.02399	2.7
85.02892	40.5
85.06532	3.4
86.09712	9.5
87.04456	7.5
91.03961	2.5
91.05467	53.0
92.05820	1.9
93.06446	1.9
93.07030	33.0
95.04958	34.3
95.08595	24.8
96.05280	1.8
97.02883	8.2
97.06496	7.9
97.10155	24.6
98.10455	1.6
99.08092	3.4
103.03922	3.0
105.04507	2.7
105.07017	34.7
107.04931	13.5
107.08586	21.8
109.02847	2.1
109.06470	7.8
109.10139	54.6
111.04427	4.9
111.08066	14.9
113.06001	2.9
115.05436	2.4
117.06994	5.5
119.08562	30.5
121.06493	4.2
121.10136	18.6
123.08031	6.2
123.11658	3.5
124.99973	5.0
125.09617	19.1
127.07542	1.9
129.06992	16.9
131.08545	18.0
133.06488	4.9
133.10123	16.8
135.07999	1.9
135.11668	5.1
137.09595	6.3
142.07774	3.1
143.10709	2.2
145.10072	5.9
147.08015	5.8
147.11661	18.9
149.09581	12.3
153.12720	2.3
155.10617	4.9
157.10126	19.7
163.11186	10.1
163.25807	1.8
165.12761	5.0
167.10669	2.5
173.09558	2.0
173.10214	1.6
173.11703	15.7
175.11183	16.3
183.96355	1.4
184.05687	1.6
184.07320	31.7
184.08891	2.9
189.11061	1.8
191.10641	2.7
193.12216	57.7
199.13219	10.3
209.11676	6.4
211.13261	73.0
212.13547	2.3
217.14323	2.7
227.12669	9.4
229.14323	65.1
249.14836	3.0
259.91516	1.6
267.15875	43.5
268.16461	1.9
283.15366	11.3
284.15488	1.9
285.16931	55.3
286.17285	3.5
287.14926	6.5
301.16446	19.6
409.25769	4.5
421.25699	11.9
427.26816	5.4
439.20691	2.4
439.26849	46.8
440.27194	3.1
447.27283	2.2
457.25284	3.0
475.26819	5.8
479.26593	3.6
493.27676	11.2
511.28970	22.1
512.29462	2.2
529.29834	8.0
656.31610	1.6
727.36011	10.5
737.76239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01870	6.9
55.05511	30.4
57.03438	30.6
57.07084	3.0
61.02927	42.3
63.18819	2.2
65.03944	6.1
67.05502	80.3
69.03428	18.2
69.07069	35.6
71.04986	11.8
73.02913	17.7
75.04501	2.4
77.03931	2.9
79.05490	86.9
79.05950	5.5
81.03409	21.0
81.07053	94.4
82.07427	3.0
83.04982	22.0
83.08614	15.9
85.02905	47.0
85.06562	5.9
91.03943	24.4
91.05475	72.9
91.57394	2.4
93.07043	100.0
95.04966	24.0
95.08602	44.2
97.02898	29.9
97.06533	18.3
97.10169	4.8
99.04488	5.9
99.08091	8.8
101.02436	2.3
105.07028	59.3
107.04942	8.3
107.08591	50.1
107.11871	2.7
108.08940	2.5
108.90919	2.2
109.02876	5.2
109.06537	7.6
109.10170	20.1
111.04468	2.8
111.08089	10.2
115.03891	2.5
115.05458	3.0
117.07010	27.2
119.08578	47.6
121.06512	7.4
121.10146	35.3
123.08090	5.0
123.11691	5.9
125.09683	3.2
127.03927	14.7
127.11138	2.6
129.05502	9.2
129.06993	13.2
131.07024	2.5
131.08566	33.5
133.10124	42.4
135.08122	4.6
135.11687	31.1
137.09579	3.1
141.06970	4.8
143.08557	9.7
145.04968	15.2
145.10100	22.7
147.08070	3.2
147.11667	30.7
149.09636	10.9
149.13240	27.8
151.11205	4.5
155.08586	3.0
157.10199	12.3
159.11679	31.3
159.32819	2.2
161.13240	21.1
163.06027	9.2
163.11209	9.0
163.14780	5.5
171.11670	11.6
173.13264	11.6
173.14589	2.3
175.11223	3.9
175.14838	6.9
177.12758	12.0
179.14290	4.1
183.11746	3.2
185.13278	8.7
187.14803	3.0
193.12268	2.7
195.13783	12.0
199.14786	4.0
213.16309	3.6
217.16045	2.6
231.21075	3.9
239.17822	3.2
241.19461	15.8
251.16322	2.7
255.15973	2.7
257.19006	7.4
259.20532	41.1
267.15973	4.2
269.17468	94.2
275.20044	18.6
277.21658	7.7
318.20496	2.3
333.24225	8.4
349.23727	25.4
351.25253	77.9
441.26315	5.0
447.27740	3.2
449.90305	2.5
453.28604	3.0
459.27298	4.9
461.28992	5.5
479.29575	3.2
495.29495	7.0
511.32053	3.6
637.31903	4.7
726.33948	36.6
727.33643	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	726.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01862	2.6
55.05294	0.8
55.05507	9.1
57.03436	6.4
59.04993	1.5
61.02917	1.9
65.03925	1.5
67.05497	32.8
68.64397	0.7
69.03413	2.8
69.07066	5.1
70.06596	0.7
71.04990	12.8
73.02908	1.0
76.53286	0.7
79.05489	14.9
81.03408	22.0
81.07048	14.4
83.04964	5.0
83.08620	7.5
84.16209	0.6
85.02895	4.4
85.06514	2.4
85.99414	0.6
91.03933	1.0
91.05473	15.0
93.07040	13.0
95.04960	12.8
95.08598	7.2
97.02883	2.7
97.06523	3.0
97.10157	3.7
99.04461	0.8
99.08097	0.8
101.02385	1.0
105.04459	0.8
105.07021	9.4
107.04940	8.4
107.08576	9.1
108.97103	0.7
109.02887	0.9
109.06509	8.5
109.10143	17.4
111.04450	1.5
111.08061	3.0
115.05402	0.9
117.07008	3.0
119.04958	1.2
119.08578	10.5
121.06486	5.8
121.10149	5.3
123.04480	0.9
123.08038	2.2
123.11688	0.9
125.09641	3.4
129.07013	4.9
131.08537	6.3
133.06532	1.2
133.10126	4.3
135.08047	4.4
135.11665	5.1
137.09590	5.4
139.03929	0.9
139.11171	1.1
141.06990	0.8
142.07805	1.0
143.08603	1.5
145.06520	1.3
145.10117	4.2
147.08044	2.8
147.11674	4.3
149.09604	3.0
151.11137	1.5
155.10635	1.8
157.06403	0.8
157.10117	3.9
159.11699	1.7
161.09598	1.3
163.11179	4.5
165.12811	0.9
167.10687	1.7
173.09604	1.2
173.11758	2.8
173.13321	1.8
175.11191	3.3
175.38400	0.7
181.12167	1.1
184.07320	1.1
185.13324	0.9
189.11224	1.8
191.14334	2.5
193.12222	8.4
195.11496	0.9
203.10638	1.2
203.14360	1.4
205.12138	1.3
211.13330	2.8
219.13838	3.1
221.15135	1.0
223.13101	1.2
229.14355	2.8
231.13795	0.7
243.08443	1.1
243.15886	1.6
249.14934	1.0
255.15930	1.8
267.15906	11.5
269.17511	1.0
279.19397	0.7
283.15347	2.4
285.16907	2.5
287.18314	3.8
311.20157	1.7
329.21140	4.0
337.21518	1.1
339.87277	0.7
355.22714	2.0
373.23917	1.2
403.24857	3.9
403.29291	0.7
411.25482	1.5
421.25842	15.8
422.26361	1.4
429.26227	7.7
430.26559	0.8
447.27377	100.0
448.27725	5.7
461.28943	2.6
465.28458	1.4
469.20734	1.0
479.29959	6.5
493.27817	1.1
501.22754	1.3
511.28772	1.0
511.32016	0.9
513.28882	0.8
555.28888	1.2
605.32922	1.0
726.33380	21.0
727.34802	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	726.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01865	3.0
55.05507	6.5
56.49436	0.6
57.03434	6.2
59.04990	1.1
61.02921	1.2
65.03918	0.8
67.05497	33.8
69.03425	1.8
69.07073	3.5
71.04984	11.5
73.02921	0.8
79.05482	12.3
81.03407	23.4
81.07051	13.8
83.04978	3.4
83.08618	7.3
85.02894	1.6
85.06540	2.3
91.05476	14.2
93.07036	12.7
93.93584	0.6
95.04958	12.8
95.08610	7.6
97.02905	1.3
97.06552	3.8
97.10181	3.8
99.08095	0.6
105.03452	0.6
105.04514	0.8
105.07019	9.4
106.22813	0.6
107.04943	7.8
107.08568	8.4
108.08968	0.6
109.06502	9.0
109.10148	22.2
109.72005	0.6
111.08069	3.6
115.17010	0.8
117.07019	3.1
119.08578	9.0
121.06485	7.5
121.10140	3.7
123.08070	2.7
123.11671	0.8
125.09640	3.2
129.06999	4.3
131.04890	1.3
131.08545	7.5
133.06497	1.6
133.10115	4.3
135.08038	3.5
135.11676	5.6
137.09566	4.8
139.11160	1.3
143.08578	1.5
145.06488	1.6
145.10141	4.2
147.08070	2.4
147.11694	2.9
149.09628	1.8
151.11150	1.1
155.08589	1.0
155.10670	1.2
157.06532	0.8
157.10133	3.9
159.07997	0.8
159.11723	1.0
161.09653	1.0
163.11124	3.8
167.10631	1.2
169.10126	0.9
171.11713	1.0
173.11751	3.1
173.13268	2.1
175.11192	3.3
177.12691	1.4
181.12367	0.8
185.13222	1.6
187.11172	0.7
189.09128	0.9
189.11188	1.7
189.12729	1.3
191.14325	2.4
193.12215	5.8
197.13327	0.6
199.11218	0.8
201.12799	0.9
203.10742	1.5
203.14311	1.7
205.12210	0.9
211.13127	0.7
213.12834	1.0
215.14307	0.8
219.13782	3.6
229.14325	1.3
243.15942	1.4
245.15382	0.8
249.14888	1.9
253.14304	1.6
255.15819	1.3
267.15891	9.9
268.16348	0.7
275.16406	0.8
285.16934	1.0
287.18527	3.8
301.21838	1.1
311.20044	1.5
329.21094	5.8
337.21597	1.1
347.22189	1.0
355.22668	2.3
385.24637	0.8
403.24829	4.4
404.25305	0.7
421.25827	13.3
422.26407	0.9
425.25095	1.2
429.26355	7.5
447.27374	100.0
448.27759	6.8
461.28949	2.0
479.29916	5.9
547.28058	0.7
637.32141	1.2
726.32629	4.2
727.34906	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	726.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01892	0.2
55.01836	0.2
55.05504	0.9
56.05032	0.9
57.03436	0.5
57.31656	0.2
58.06379	0.2
58.06621	0.5
59.07410	0.2
60.08158	6.9
67.05498	2.3
69.07075	0.8
71.07367	4.2
77.76199	0.2
79.05490	1.7
81.03411	0.3
81.07051	2.1
83.08613	0.4
83.45866	0.2
86.09699	34.1
91.05471	0.9
93.07008	1.3
95.04990	0.6
95.08601	0.9
96.33484	0.2
97.06527	0.4
97.10159	0.4
97.74310	0.2
98.23425	0.5
98.98454	3.7
103.41597	0.2
104.10723	2.5
105.07021	1.0
107.04906	0.2
107.08560	1.0
109.06525	0.2
109.10160	0.8
117.07005	0.6
119.08555	0.8
121.10165	0.5
124.35239	0.2
124.99996	23.8
125.09574	0.2
127.90577	0.2
131.08563	0.6
133.10100	0.7
135.11699	0.4
138.75397	0.2
143.01039	0.3
143.08472	0.3
145.10156	0.6
147.11702	0.2
149.13196	0.4
151.11214	0.2
159.11674	0.3
163.11258	0.3
176.76862	0.2
184.07326	100.0
185.07593	1.0
187.11133	0.2
187.59344	0.2
203.13353	0.2
229.14418	0.2
265.85257	0.2
269.17419	0.3
275.20044	0.5
305.82614	0.2
349.23700	0.6
393.96286	0.2
411.50888	0.2
423.27405	0.4
529.34717	0.5
726.43378	2.6
727.43030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45886	0.7
53.03941	1.8
55.01867	10.5
55.05509	10.8
57.03432	6.1
57.07066	1.1
60.08154	2.5
61.02922	0.8
63.58348	0.7
65.03934	0.8
67.05499	30.1
68.05843	0.9
69.03423	1.6
69.07060	18.3
71.01342	1.4
71.04985	2.3
71.07361	1.9
79.05486	26.9
80.05807	0.7
81.03410	5.9
81.07048	32.7
83.04980	6.8
83.08613	3.8
84.60377	0.7
85.02881	1.9
85.06532	1.7
86.09698	8.2
91.05476	31.2
92.05785	1.0
92.85880	0.8
93.07037	30.3
95.01332	3.3
95.04964	6.9
95.08599	17.9
97.06524	20.1
97.10168	5.8
98.98441	0.8
99.08114	1.7
103.05453	1.0
105.01228	0.8
105.04552	1.3
105.07023	40.4
105.15182	0.9
107.04943	8.4
107.08588	16.9
109.06522	2.1
109.10143	7.1
111.04436	0.8
111.08059	1.8
115.05399	0.8
117.06996	8.6
119.08571	21.3
119.80578	0.8
121.06519	1.9
121.10146	6.6
123.08052	2.9
123.11699	1.2
125.00000	6.0
125.09632	1.7
129.06990	2.4
131.08553	11.1
133.10115	21.4
135.08096	2.2
135.11684	15.7
137.09615	1.9
143.08553	2.9
145.06485	1.5
145.10109	10.0
147.07968	0.8
147.11685	8.6
149.09604	4.8
149.13243	1.9
151.11136	2.1
155.08522	1.6
157.10156	2.7
159.11655	5.1
161.13254	2.6
161.93181	0.8
163.11162	4.5
165.09071	1.3
169.10106	0.9
171.11678	2.3
173.13293	1.8
177.12735	1.1
179.14330	5.8
181.12202	2.9
183.11766	1.3
184.07332	31.0
187.11168	1.0
201.12700	1.0
209.15306	0.9
211.13237	1.6
215.17967	0.8
219.13641	0.8
237.14719	0.9
247.20499	0.9
255.15863	24.1
257.18970	2.1
275.20038	37.9
276.20374	1.7
279.15878	2.2
293.21136	1.7
335.26105	0.9
336.26199	1.0
349.23700	14.2
501.27942	0.9
529.35205	100.0
530.35486	6.1
546.38177	2.6
619.33820	0.8
726.42267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97702	3.9
53.74273	4.0
55.05505	13.4
55.34495	4.3
57.03425	7.1
61.10822	3.8
67.05499	46.3
69.07059	11.9
69.73799	13.4
79.05482	35.3
81.07053	50.6
82.29967	4.2
83.08614	8.1
91.05463	16.7
93.07050	31.6
95.08604	20.6
105.07031	9.4
107.08589	17.3
109.10165	7.7
121.10108	8.8
133.10069	7.9
135.11655	7.5
149.13237	9.7
195.13766	6.0
261.21872	6.2
269.17453	63.7
332.18231	6.0
335.19727	5.1
335.25739	90.7
430.27133	5.0
444.98755	5.8
529.38794	100.0
568.53058	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	726.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.3
55.01847	0.7
55.05508	7.9
57.03440	8.3
57.07056	1.4
61.02890	2.2
65.03901	1.4
66.92413	0.5
67.05501	34.8
69.03386	1.7
69.07060	11.3
69.16486	2.7
69.16895	1.5
71.04956	2.0
71.08610	0.9
73.02482	0.6
73.02876	0.8
77.03902	0.7
79.05489	21.9
80.36319	0.7
81.03387	0.7
81.07052	46.3
83.04987	3.0
83.08624	7.8
85.02853	2.1
85.06495	2.5
91.03924	0.8
91.04955	0.8
91.05470	12.1
93.07040	32.7
95.04959	4.1
95.08599	20.6
96.73825	0.6
97.02891	0.7
97.06528	5.1
97.10155	1.2
99.08043	1.9
104.09583	0.6
104.41068	0.6
105.04477	1.2
105.07026	5.6
107.08588	20.0
109.06516	1.4
109.10143	6.8
111.08088	3.1
117.07003	3.4
119.08555	2.9
121.10136	12.6
123.11693	2.9
125.09601	0.8
131.08557	7.8
133.10101	5.7
135.08038	0.9
135.11690	8.3
139.11090	1.2
145.10074	2.5
147.11681	3.2
149.09584	1.0
149.13249	21.5
150.13559	0.7
159.11671	8.6
161.13214	2.1
163.14722	1.9
167.14293	0.8
173.13264	1.2
175.14809	0.8
177.12738	4.3
177.16338	0.9
184.07289	1.3
187.14737	0.9
195.13773	9.5
213.14827	1.1
233.22365	0.6
243.21100	2.7
259.20218	1.0
261.22107	11.1
267.15854	2.7
269.17453	96.7
270.17749	4.8
271.18854	0.7
315.79694	0.6
317.24625	2.8
335.25781	64.3
336.26138	3.1
419.32874	0.9
437.34235	1.6
455.35092	1.3
463.24115	0.6
470.20801	0.7
511.37646	1.0
529.38867	100.0
530.39099	9.1
547.39691	1.7
578.24377	0.7
726.44678	22.0
727.44995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2074
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03948	0.3
55.05510	0.4
56.28764	0.3
57.03432	2.6
61.02914	0.7
62.74753	0.3
68.99813	0.3
69.03423	2.4
69.30310	1.6
71.01363	0.4
71.04990	7.7
73.02916	1.8
75.04467	0.5
75.79430	0.3
79.05508	0.3
81.03387	0.9
83.04991	1.8
85.02901	13.9
87.46762	0.3
97.02886	3.3
98.22765	0.5
101.06024	0.3
107.04935	0.5
109.02914	0.4
111.00769	0.4
111.04441	0.9
115.03938	1.4
121.02850	2.1
127.03900	0.7
129.05479	3.7
133.83542	0.3
135.04355	0.3
137.02348	0.9
145.04945	1.0
147.06500	1.6
153.01811	3.3
165.01830	1.5
183.02933	0.5
213.05487	0.9
225.07556	0.9
228.47896	0.3
229.76462	0.3
241.04822	0.5
258.05182	0.7
262.43301	0.3
287.05478	100.0
288.05820	3.0
299.05582	0.6
329.06479	0.7
431.09476	0.3
449.10757	1.3
704.07324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	4.3
67.05486	4.8
70.06575	3.3
79.05492	9.1
81.07063	5.6
91.05472	14.6
95.04958	7.2
103.05456	16.7
105.06995	4.6
107.04945	11.3
114.41957	3.7
115.05433	9.4
117.06994	8.4
118.04196	4.5
121.06511	4.7
122.03613	7.9
123.04415	9.4
131.04918	17.0
133.02849	13.8
133.06506	3.6
137.05963	55.5
144.05702	6.4
145.06436	10.9
147.04379	10.0
149.05943	6.4
151.03828	5.5
151.07532	21.2
153.05420	4.7
161.05988	16.7
163.07504	10.8
165.05463	4.9
167.07013	100.0
171.06592	5.2
173.05931	19.7
175.07494	5.2
176.04724	3.7
181.04907	41.5
181.06332	5.1
181.08492	3.9
187.07562	6.7
191.06985	21.2
191.08574	4.9
193.08604	5.2
203.07036	7.7
205.04726	33.4
205.06415	5.9
205.08530	8.9
207.08081	4.2
219.06389	5.3
219.08202	5.1
219.10088	4.4
221.09732	4.2
223.07516	4.6
233.08055	9.9
234.06694	5.1
234.08772	8.8
235.07573	7.6
235.09618	8.7
237.09044	7.0
241.08575	5.0
247.07489	8.4
249.09119	7.3
251.06920	5.4
253.08658	4.2
262.06210	6.8
263.06909	9.0
265.08478	6.6
275.06927	3.7
277.08459	25.0
278.09225	5.9
279.10028	9.8
281.08072	3.6
281.11624	5.7
283.09802	4.4
287.55670	4.0
293.08395	4.4
295.09558	11.3
297.11298	5.6
307.09592	8.1
309.11237	33.3
310.11923	28.0
311.12817	9.9
321.11127	4.6
325.10718	12.2
327.12000	5.8
329.10345	5.5
357.13556	4.4
369.13217	4.0
417.15378	38.9
470.92413	3.9
577.19556	5.7
727.26062	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23686	1.9
55.01867	3.7
55.05510	10.0
56.96552	2.8
57.03435	7.2
59.05016	1.8
59.36171	1.3
61.02924	3.1
65.89303	1.6
66.89662	1.4
67.05502	27.9
68.05830	2.8
68.21806	1.3
69.03418	3.5
69.07069	2.8
69.10827	9.3
71.04994	10.7
73.02916	3.3
77.27009	1.3
79.05490	14.7
80.05833	2.3
81.03412	17.7
81.07056	14.9
82.07371	1.9
83.04976	3.4
83.08617	4.6
85.02914	4.3
85.06536	1.7
91.03950	2.4
91.05470	15.2
92.05865	1.7
93.07046	10.2
94.07366	1.7
95.04978	13.5
95.08612	7.2
96.08951	1.9
97.02888	4.4
97.06553	3.1
98.22712	3.7
99.08075	1.5
105.07045	9.3
107.04955	6.3
107.08590	7.4
109.02883	2.2
109.06519	6.8
109.10149	13.6
110.10470	3.6
111.08101	3.0
117.07050	3.5
119.08607	8.7
120.08900	1.8
121.06546	5.6
121.10139	4.3
122.10442	1.5
125.09630	4.4
129.07005	4.4
131.08542	5.7
133.10114	7.3
135.08066	5.0
135.11697	3.6
137.09653	5.1
145.10049	2.9
147.08052	1.6
147.11743	4.4
149.09619	2.1
157.10194	3.3
159.11832	1.5
161.09613	2.5
163.11172	3.4
173.11732	3.5
173.13203	1.9
175.11177	4.2
191.14394	2.3
193.12289	5.7
203.24762	1.6
208.14360	1.6
227.05833	2.7
267.08881	3.0
267.15884	9.3
268.16074	2.7
283.14902	1.8
285.10168	4.2
287.18466	2.6
329.21133	2.4
355.22830	2.8
378.61295	1.5
381.12851	1.6
389.08563	2.8
401.15710	3.5
403.24304	2.1
419.22351	1.8
421.25638	7.7
422.26166	6.2
429.26099	4.9
430.26511	4.0
445.14465	3.3
447.27380	53.6
448.27698	43.8
461.28802	3.7
467.18759	4.2
473.17413	1.7
479.30194	3.1
480.30191	2.4
486.18671	2.6
499.14551	1.8
513.17047	1.7
514.18329	3.1
527.19080	2.1
597.26758	10.5
598.27142	2.5
625.25916	4.9
637.31744	7.0
655.27472	3.4
681.29022	3.5
710.29089	2.4
727.29877	100.0
728.29883	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	727.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.05502	0.9
57.03432	1.5
59.04986	0.9
61.02922	3.7
67.05505	2.2
69.03428	2.0
69.07075	0.9
70.48892	0.5
71.01354	0.4
71.05005	1.3
73.02909	2.8
79.05483	2.5
80.63579	0.4
81.03408	3.7
81.07048	1.9
83.01347	0.4
83.04984	1.0
83.08624	1.1
85.02892	4.0
91.03947	2.1
91.05479	2.6
93.07039	3.0
95.04987	1.6
95.08618	1.1
97.02882	2.6
99.04449	0.8
101.02401	1.4
103.03899	0.4
105.07025	1.8
107.04959	0.8
107.08604	1.5
109.02919	0.9
109.06525	1.1
109.10197	0.5
111.08070	0.4
117.07007	0.4
119.08604	1.4
121.10125	1.8
123.08038	0.6
127.03920	1.2
129.05588	0.4
129.07001	0.7
130.94279	0.4
131.08592	1.3
133.06375	0.4
133.10153	1.0
133.75815	0.3
135.11731	0.7
140.45102	0.3
145.04968	0.4
145.10143	0.7
147.11687	0.9
149.09663	1.4
157.10161	1.0
163.11238	1.7
175.11249	0.6
193.12263	1.4
203.05324	0.6
225.14783	0.5
243.08344	1.9
249.11101	0.6
267.16193	0.4
277.46439	0.4
283.15097	3.0
322.02795	0.4
339.17914	0.6
402.94733	0.4
467.18787	7.9
469.20786	0.4
501.23044	8.0
502.23019	0.5
727.35040	100.0
728.35394	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	728.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00261	0.6
55.01872	2.0
57.03428	0.8
58.99580	6.7
65.03934	1.3
67.05505	0.9
69.52703	3.0
75.04435	1.1
76.02219	35.9
76.03999	0.9
76.47354	0.8
78.04681	0.8
79.05489	6.7
84.04490	9.3
86.99039	1.0
90.04658	0.8
91.05474	8.0
91.29219	0.6
93.03390	2.0
93.07038	2.1
95.04959	3.1
98.22784	1.4
98.23383	1.4
103.05450	5.8
105.04488	1.1
105.07018	24.5
106.04171	4.7
107.04935	4.5
108.05737	1.4
109.06487	2.3
115.03896	0.6
115.05453	2.5
116.01673	7.6
116.84776	0.7
117.06974	0.6
118.04142	7.5
119.04936	3.8
120.05713	1.3
121.06486	7.3
122.07259	1.6
123.08041	1.9
124.05192	3.0
125.05963	1.5
130.04994	4.5
131.04967	1.9
132.05679	1.3
133.06476	25.0
133.07507	1.2
134.03624	1.0
134.07262	1.0
135.04396	2.7
135.08012	4.1
136.05186	0.9
137.05952	9.1
139.07570	1.0
142.03239	3.5
144.01093	5.5
146.03607	1.3
148.05177	2.2
149.05954	10.2
150.06746	15.6
150.07936	0.9
151.02101	1.1
151.07515	6.0
153.01813	0.8
153.05484	0.9
153.09074	2.1
161.05937	3.6
162.02203	15.7
163.03900	1.1
163.07536	1.1
165.09100	15.2
167.05702	1.3
167.07028	12.4
170.02689	1.3
177.05429	6.7
178.06227	1.6
179.01515	0.9
179.04831	27.4
179.06961	1.6
181.08560	5.2
187.05344	0.8
191.07065	1.4
193.08580	68.9
194.08905	1.4
207.06364	0.7
207.08746	1.1
209.08070	25.1
211.09628	100.0
212.09990	1.8
215.04799	0.9
223.04155	7.2
233.05881	8.2
245.05843	1.7
247.02467	0.6
249.05704	0.7
273.05322	0.7
277.05164	0.9
291.06122	1.1
308.09055	45.1
309.09320	1.0
369.10962	2.4
369.15247	1.0
403.17426	0.9
423.12228	0.7
526.56708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01872	6.9
55.05299	1.2
55.05508	16.6
57.03431	13.1
61.72400	1.0
62.14952	1.1
67.00729	1.1
67.05501	21.8
69.03420	4.3
69.07065	8.6
70.93974	1.5
71.04993	9.1
78.27289	1.1
79.05039	2.1
79.05486	31.5
81.03412	55.5
81.07047	24.3
83.04979	6.6
83.08610	14.9
85.02892	3.8
85.06552	2.7
91.05470	21.0
93.07040	25.4
95.04961	26.6
95.08601	10.8
97.02884	3.1
97.06507	5.1
97.10159	14.5
99.04466	1.3
103.05479	7.1
105.04500	1.7
105.07015	16.6
106.07348	1.2
107.04939	27.6
107.08580	17.3
109.06514	35.0
109.10144	5.6
111.04465	2.1
111.08066	6.0
111.32105	1.4
115.05452	2.5
117.07011	7.9
119.04923	2.0
119.08572	16.2
121.06499	18.0
121.10117	17.6
122.09666	1.8
123.04435	2.0
123.08054	6.5
123.11646	1.5
125.06011	1.2
125.09625	12.7
127.03911	1.4
129.06985	9.1
131.04913	13.8
131.08560	15.3
133.06509	5.9
133.10091	7.0
135.08040	12.7
135.11607	1.2
137.05942	15.1
137.09615	1.1
139.11145	5.8
141.06999	1.4
142.07698	2.6
143.08542	3.4
145.06479	6.6
145.10115	9.3
147.04407	3.5
147.08073	5.6
147.11647	6.6
149.06075	2.1
149.09616	8.0
151.03880	3.5
151.07526	1.5
153.01860	2.8
153.09106	1.7
155.08542	2.6
157.06487	1.9
157.10107	10.0
159.08070	3.1
159.11664	2.7
161.05898	2.8
161.09665	2.2
163.07535	14.7
163.11104	7.1
165.06804	1.3
167.07097	2.9
169.10115	2.6
171.08008	2.5
171.11665	2.2
173.09535	2.0
173.13199	6.4
175.07605	2.9
175.11148	7.0
177.12784	1.6
181.08487	1.1
184.07201	1.2
185.09566	1.8
185.11716	2.6
187.11099	1.4
189.09093	1.1
189.11191	4.1
189.12750	2.6
191.07018	2.5
191.14308	10.6
193.12204	15.0
195.11752	1.1
197.09644	1.7
197.13249	1.9
199.11116	1.3
201.12656	1.6
205.12219	2.2
215.10719	1.2
215.14316	2.1
219.13776	28.4
223.11226	1.2
223.13284	1.3
225.12679	1.3
227.12642	1.5
229.14391	1.3
233.15396	3.4
235.13042	1.2
237.12630	1.7
237.14824	2.1
241.14154	1.5
249.14743	1.4
255.13544	1.6
259.15405	24.4
267.15884	38.7
267.18732	2.0
268.16412	1.6
273.14877	5.9
293.17487	17.7
294.17630	1.1
312.09985	1.4
321.21777	1.3
339.23114	1.5
349.21527	4.1
357.23978	1.7
367.22714	9.7
385.23639	18.0
387.14236	1.6
403.24701	8.5
427.28366	2.0
433.25769	2.6
441.26392	5.7
445.29355	1.7
451.26880	14.2
459.27374	82.6
460.27612	6.6
477.28452	100.0
478.28696	4.7
495.29385	20.2
496.29788	1.9
501.28625	2.8
567.29645	2.9
665.46716	1.3
688.51471	1.3
728.39075	1.4
729.30817	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
55.91747	0.3
56.05030	0.8
57.03424	0.3
58.06615	0.5
60.08160	6.2
67.05500	1.6
67.18765	0.2
69.07094	1.8
69.07520	0.6
71.07373	4.2
74.21293	0.2
79.05492	0.8
81.03407	0.3
81.07029	1.4
86.09699	33.0
87.10043	0.5
91.05470	0.7
93.07043	0.9
95.04948	0.4
95.08602	1.0
98.22665	0.4
98.98445	3.9
99.29659	0.3
104.10722	1.8
105.06976	0.5
107.08565	0.7
109.10152	0.5
119.08514	0.4
121.10097	0.3
124.99992	22.1
131.08603	0.4
133.10182	0.6
143.00940	0.3
182.32190	0.3
184.07324	100.0
185.07666	0.9
271.15298	0.8
272.72394	0.3
335.25723	0.5
389.84549	0.2
406.36099	0.3
410.15500	0.3
520.00806	0.3
531.36847	0.5
545.38403	0.4
561.37177	0.3
728.45178	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	728.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05035	0.8
58.06618	0.5
60.08157	6.7
67.05491	0.8
71.07366	3.5
71.07733	0.2
71.41549	0.1
79.05478	0.6
81.07050	0.6
83.08535	0.1
86.09695	30.3
87.10043	0.5
91.05473	0.6
93.07018	0.4
95.04919	0.3
95.08626	0.3
98.98454	3.5
104.10738	2.4
105.07008	0.4
107.08588	0.3
117.07074	0.2
119.08549	0.2
121.10147	0.3
124.99989	20.9
131.08530	0.2
133.10078	0.3
143.01016	0.3
184.07318	100.0
185.07669	1.4
370.65195	0.2
427.32663	0.2
450.03625	0.2
513.35052	0.2
528.08575	0.2
531.36395	0.3
635.09460	0.2
678.33948	0.2
728.44885	4.3
729.44305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07781	0.2
55.05502	0.3
56.05023	0.6
58.06345	0.2
58.06616	0.5
60.03142	0.2
60.07866	0.4
60.08162	6.7
67.05500	1.4
69.07069	0.5
69.33205	0.4
69.33598	0.5
70.06597	0.4
71.04978	0.7
71.07363	3.3
79.05495	0.4
79.31378	0.2
81.07061	0.7
83.04969	0.2
86.09700	30.5
91.05483	0.6
93.07042	0.6
95.04928	1.1
95.08581	0.3
96.05279	0.4
98.98460	4.3
104.10736	2.0
105.07021	0.7
107.08580	0.5
109.10165	0.2
112.07601	3.6
113.06008	1.7
113.07922	0.4
119.08562	0.3
122.49966	0.2
124.99994	20.7
126.00332	0.3
131.03502	0.2
131.08566	0.4
135.11731	0.2
145.10130	0.2
173.08086	0.6
184.07329	100.0
184.43781	0.2
185.07668	0.8
263.32501	0.2
265.90836	0.2
322.79840	0.2
331.09271	0.2
513.35260	0.3
531.35773	0.8
720.47894	0.3
728.33643	0.2
728.45062	3.9
729.45215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52885	2.1
53.03948	3.3
55.01866	2.8
55.05505	26.8
56.78135	2.1
57.03431	20.2
57.07073	2.6
61.02921	3.4
62.83284	2.5
65.03936	5.7
67.05500	77.4
69.03416	2.9
69.07066	23.2
70.66213	4.8
71.01337	4.6
71.04984	5.2
73.02957	2.3
77.03923	3.7
79.05483	76.4
81.03407	5.9
81.07049	52.4
83.04973	12.9
83.08614	9.6
85.02877	4.3
85.06535	5.9
86.09695	6.3
86.96508	1.9
91.05471	84.8
93.07035	86.8
95.04924	12.6
95.08588	31.9
97.06494	12.6
97.10175	9.9
99.08097	4.1
99.44370	2.2
105.04520	4.6
105.06342	4.6
105.07020	68.8
107.04935	2.6
107.08581	52.8
109.06511	3.1
109.10141	16.2
111.08060	3.4
117.07010	24.9
119.08571	62.4
121.10133	22.5
123.11695	3.7
125.00056	2.0
128.06146	2.5
129.06976	12.8
130.07767	2.8
131.08543	20.3
133.10109	54.8
135.11676	60.5
137.09602	3.8
143.08569	10.3
145.10110	31.3
147.11674	43.9
149.13235	13.3
151.11177	3.0
155.08658	3.4
157.10089	10.7
159.11665	23.4
161.13242	37.6
163.11186	7.1
163.14777	3.5
171.11696	13.0
173.13182	10.6
175.14850	13.6
181.12186	14.4
184.07372	16.2
185.13284	11.5
187.14795	3.8
189.12799	4.3
197.13034	2.9
199.13161	3.5
199.14703	4.4
231.21053	9.5
241.19510	33.9
253.14346	9.3
255.15895	86.8
259.20554	100.0
260.20889	2.8
275.19983	3.3
315.23151	6.1
324.03241	2.5
333.24216	44.1
421.31033	5.8
439.31830	3.9
457.33597	2.4
513.35699	62.0
514.36139	6.2
531.36890	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01875	5.3
55.05508	15.0
56.05024	1.7
57.03439	7.3
57.07068	4.1
60.08166	2.9
61.02934	1.6
65.03935	1.3
67.05502	60.0
69.03419	3.3
69.07066	14.3
71.04983	3.3
71.07370	5.6
71.08634	2.8
79.05486	27.5
81.03406	4.8
81.07050	50.1
83.00575	1.3
83.04965	6.9
83.08611	6.7
84.91184	1.3
85.02891	4.7
85.06552	4.5
86.09191	1.9
86.09708	30.6
91.04939	2.7
91.05481	40.8
93.07043	33.8
95.04973	8.7
95.08596	21.7
97.02908	2.0
97.06525	3.7
97.10165	3.4
98.98461	2.0
99.04481	1.9
99.08060	1.6
105.07025	28.9
107.04916	2.1
107.08590	33.0
109.06509	5.2
109.10158	44.3
110.10522	1.4
111.08051	2.2
113.05972	1.5
117.06981	6.9
119.08600	7.6
121.06487	1.5
121.10127	9.9
123.11718	9.5
125.00053	7.9
125.00816	1.6
125.09669	2.4
127.07566	2.4
131.08565	4.7
133.10123	46.3
135.08139	1.7
135.11690	5.9
143.08551	1.5
145.10135	3.4
146.98183	12.4
147.11720	3.4
149.13219	3.0
151.11171	20.9
152.49054	1.3
159.11688	2.7
161.09616	2.7
161.13216	1.4
163.11221	2.0
163.14778	1.9
169.12286	4.7
173.11824	1.5
173.13240	2.9
179.14290	1.8
184.07352	29.4
187.12743	1.7
187.14668	1.2
215.12805	2.0
243.21111	2.9
253.14331	100.0
254.14648	3.0
261.22128	8.3
271.15390	25.4
287.44635	1.3
335.25760	45.5
336.25781	1.5
439.31653	2.0
457.33270	1.9
513.35657	4.9
531.36792	39.5
532.36981	2.9
545.38129	19.2
546.38647	1.9
669.37250	29.5
670.37463	2.4
728.44727	22.7
729.44025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01863	4.4
55.05510	11.5
57.03427	6.4
57.07057	3.4
60.82835	1.7
61.02921	1.7
62.24937	1.5
67.05157	2.7
67.05500	40.9
69.03442	3.2
69.07071	11.1
69.42667	4.9
69.43061	2.3
71.04984	3.7
71.07337	2.1
71.08591	1.8
73.47828	1.4
79.05487	22.5
81.03407	4.2
81.07050	39.5
83.04967	5.1
83.08626	3.6
85.02903	1.6
85.06553	4.2
86.09706	13.7
91.05479	29.2
93.07042	22.7
95.04958	9.0
95.08595	17.7
97.06567	3.3
97.10165	2.5
99.04466	1.7
102.94035	1.3
105.04586	1.5
105.07030	21.0
107.04939	2.0
107.08588	26.4
109.06522	3.0
109.10150	45.5
111.08122	1.9
113.06047	2.5
117.07021	3.0
118.65198	1.5
119.08578	9.1
121.10136	5.6
123.08076	1.8
123.11684	9.3
125.00008	5.5
125.09621	2.2
125.81594	1.7
127.07525	2.9
131.08585	4.7
133.10117	52.1
135.11708	7.6
145.10109	4.2
146.98213	5.4
147.11668	3.7
149.13295	3.9
151.11177	20.7
159.11623	2.3
161.09647	2.7
169.12228	4.6
173.13264	2.5
179.10593	1.8
184.07339	29.7
215.12781	3.2
227.29539	1.7
239.42119	1.6
243.21056	3.1
253.14333	100.0
254.14651	5.0
261.22183	15.6
271.15396	35.1
335.25739	31.8
335.29565	2.7
379.25110	1.9
513.35754	7.8
531.36841	36.9
532.36981	1.9
545.38220	8.8
595.33020	2.0
669.37512	10.6
711.49945	1.6
728.44702	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	729.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41415	0.6
68.80797	0.6
70.80721	0.8
73.09509	0.6
87.39040	0.7
98.23181	0.8
103.93200	0.5
108.89610	0.6
116.98492	0.6
118.42460	0.6
152.11453	0.6
177.76460	0.6
185.04190	3.5
189.44946	0.6
206.05440	3.9
207.06239	5.9
369.11533	100.0
370.11887	4.4
383.09436	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	729.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05691	1.0
55.05505	2.5
56.96553	1.7
57.03432	2.1
61.02934	6.1
67.05493	4.3
69.03418	3.5
69.07041	1.6
69.21989	3.8
69.22387	1.9
71.04971	1.5
72.36075	1.0
73.02922	5.1
75.80708	1.0
78.33732	0.9
79.05492	4.3
81.03381	12.0
81.07047	3.1
83.04974	1.6
83.08633	2.8
85.02900	7.8
91.03961	3.0
91.05480	4.1
93.07047	3.0
95.04967	2.4
95.08605	2.5
97.02876	6.0
98.22617	2.1
98.97581	1.7
99.04485	1.7
101.02373	2.0
105.07030	4.3
107.08566	2.8
109.06512	1.1
109.10130	1.5
111.08057	1.5
116.96198	0.9
119.08541	2.0
119.43401	1.0
121.10130	2.8
131.00197	1.2
131.08575	1.4
133.10138	2.3
147.11703	2.3
149.09618	3.0
163.11125	1.2
171.25787	1.1
175.11301	1.6
193.12187	5.1
243.08580	5.0
251.12483	3.8
261.10120	1.3
267.08978	3.2
283.15106	4.5
285.10077	3.0
288.43436	1.0
317.06329	1.4
339.17651	1.6
348.95850	1.1
401.15662	2.9
411.13898	3.1
449.23196	2.1
459.16116	1.8
469.20389	15.7
485.17618	3.2
495.23212	1.2
499.19629	1.3
501.16559	3.9
501.22940	13.5
543.25189	1.8
544.19055	4.8
557.19775	2.2
571.21942	1.7
585.24640	1.5
627.27631	4.3
628.28058	4.2
639.29388	3.3
641.27252	1.1
657.29852	1.3
667.29822	1.3
669.28082	1.4
675.16327	1.4
683.30627	1.9
697.33368	3.2
711.30286	2.7
712.30438	1.4
729.34821	100.0
730.31757	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	729.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59771	0.9
55.05516	1.5
57.03432	3.5
57.36387	1.0
61.02925	5.1
67.05502	3.9
69.03436	2.3
69.07062	1.6
70.42545	1.7
71.04980	1.1
73.02927	2.9
79.05504	3.9
81.07074	3.9
83.04990	2.0
84.01902	1.8
85.02905	7.0
85.06571	1.4
91.03940	4.9
91.05489	4.0
93.06120	1.1
93.07063	2.8
95.01114	1.5
95.04982	2.3
95.08589	2.4
96.01839	1.3
97.02905	4.4
97.06523	1.0
97.10181	1.1
99.05254	1.2
101.02393	2.3
105.07030	2.4
107.08610	1.5
109.02890	1.1
109.10188	2.2
121.10159	2.2
127.03962	3.1
129.05482	2.6
135.11729	1.2
137.34120	1.1
145.05029	1.5
145.10074	1.4
147.11685	1.3
157.04790	1.2
167.03209	1.2
181.04843	1.8
184.03513	1.5
185.04190	9.4
185.05421	0.9
201.03743	4.3
203.05287	1.9
205.11958	1.1
211.13217	1.0
241.06898	1.4
243.08371	5.6
249.11020	2.2
251.12503	2.1
259.08173	1.0
260.12668	1.1
265.14096	1.1
267.12033	1.5
281.13562	2.0
283.15298	1.9
293.13696	1.6
301.08899	20.3
313.08853	2.8
315.10403	6.8
319.10150	1.5
327.10657	2.2
327.14166	1.1
342.99063	1.0
357.15152	1.3
365.15643	1.6
369.15701	1.5
371.16800	1.8
373.11139	5.7
383.16946	3.8
385.18332	12.7
401.18069	1.6
411.16257	1.4
413.18237	1.4
439.19626	2.3
443.18765	1.9
449.25079	2.0
455.19135	1.7
457.20621	2.7
467.18942	3.9
469.20166	6.7
473.20084	3.8
485.19995	4.8
499.21890	1.3
501.22787	5.4
511.21021	1.8
527.20807	14.7
527.27692	1.7
543.27545	2.0
557.22211	3.1
585.24878	1.9
596.31805	5.5
611.30280	10.1
627.29871	4.2
639.29645	1.3
657.29437	1.4
667.32861	1.7
669.31281	1.5
683.31647	1.7
695.32928	1.8
711.32397	1.5
729.34308	100.0
730.33667	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	729.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
53.09846	0.3
55.01852	0.6
55.05498	2.2
55.82588	0.4
57.03432	2.8
59.04982	0.5
61.02919	4.8
67.05494	5.9
68.05817	0.7
69.03426	3.2
69.07050	1.1
69.21950	2.1
70.06581	0.9
71.01344	1.6
71.04977	1.3
73.02925	2.9
79.05489	5.7
80.97323	0.4
81.07041	4.3
82.07384	0.6
83.04967	1.6
83.08628	2.5
83.76866	0.4
85.02898	6.4
87.04433	0.9
91.03954	3.0
91.05472	5.7
92.05798	0.6
93.07053	3.3
95.04968	3.0
95.08586	2.1
97.02883	4.5
97.06516	1.0
97.10190	1.3
97.72492	0.4
98.23418	0.9
99.04466	1.0
101.02373	1.8
105.04514	0.5
105.07029	3.3
106.07352	0.4
107.04980	1.0
107.08589	2.5
109.02861	1.1
109.06527	0.9
109.10156	2.9
110.10497	0.7
111.04458	0.9
111.08052	1.1
117.07024	0.6
119.08562	3.3
121.06530	0.6
121.10135	1.4
123.08065	0.8
125.09594	1.2
127.03909	1.6
128.06282	0.6
129.06998	1.6
131.08562	1.7
133.06555	0.4
133.10123	2.4
134.10428	0.5
135.08076	0.6
135.11670	0.5
137.06027	1.0
137.09686	0.5
141.75119	0.4
143.08542	0.5
145.04948	0.4
145.10146	1.0
147.08023	0.5
147.11682	1.3
149.09618	1.2
151.07565	0.5
151.11137	0.6
157.10141	0.8
163.11148	0.7
167.07072	0.7
171.02840	0.4
175.11208	1.1
184.07278	0.5
185.04201	0.7
191.10793	0.5
191.81383	0.4
193.12254	2.7
194.12521	0.9
211.13284	2.0
212.13669	1.3
221.71217	0.4
225.11200	0.9
229.14325	0.6
243.08340	2.6
251.12331	0.8
265.10406	0.5
267.11798	0.4
267.15955	1.2
268.16287	0.9
283.11523	1.2
285.16977	1.3
286.17303	0.5
301.08694	0.7
301.16370	0.6
307.15125	0.7
323.49731	0.4
409.18283	0.8
441.16925	0.6
459.27457	0.8
460.27881	2.0
467.18729	0.6
469.20447	8.3
470.20624	0.5
477.28543	1.0
478.28506	2.6
483.17697	1.9
485.19922	1.8
496.30093	0.5
501.18558	2.3
627.30243	0.5
637.31927	0.4
683.32361	0.8
685.32507	0.4
711.31635	4.4
729.32837	100.0
730.32867	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	729.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01874	0.6
55.05511	1.1
57.03437	1.6
59.04999	0.6
61.02925	3.9
67.05492	2.0
69.03416	2.2
69.07068	0.6
69.28745	1.9
69.29140	0.5
71.05003	1.5
73.02904	2.5
75.57307	0.3
79.05485	2.5
79.63737	0.4
81.07067	1.7
83.04985	0.8
83.08635	1.1
83.12408	0.4
85.02897	5.0
91.03947	2.0
91.04967	0.5
91.05459	2.8
93.07021	1.9
95.04984	1.6
95.08617	0.9
96.24673	0.4
97.02880	3.5
97.06519	0.5
99.04478	0.9
101.02403	0.8
103.03935	0.4
105.07034	1.9
107.08613	1.3
109.02940	0.6
109.06552	0.5
119.08590	1.6
121.10148	1.3
127.03951	1.4
129.06998	1.0
131.08549	0.9
133.10167	1.2
147.11720	1.3
149.09654	1.5
157.10182	1.2
161.10532	0.4
175.11192	1.0
193.12213	1.9
225.14877	0.5
243.08427	1.8
245.04181	0.4
267.16006	0.7
283.15161	3.4
339.17880	0.5
469.20438	8.8
501.22995	8.7
567.30969	0.5
729.36591	100.0
730.36835	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	729.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.5
61.02914	3.9
63.44936	1.2
66.96568	1.2
67.05494	3.9
69.03413	1.5
69.44920	1.3
71.04984	5.3
71.43156	1.6
73.02919	2.9
79.05492	1.2
81.07047	5.3
81.78026	1.4
85.02901	3.8
91.03920	2.7
91.05469	2.8
93.07037	4.2
97.02898	4.4
101.02387	2.5
107.08640	2.7
125.70340	1.7
133.10138	3.5
151.11247	2.4
167.03770	1.3
187.13275	1.7
192.56137	1.2
224.57384	1.4
243.08315	1.8
264.48212	1.4
267.15692	2.1
302.45096	1.3
485.23569	16.8
546.69476	1.3
729.40179	100.0
730.40198	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	730.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01136	0.4
63.02386	0.6
68.43188	0.4
71.43042	0.6
86.93181	0.4
89.03908	9.5
91.05474	1.4
101.76412	0.4
103.05468	1.0
105.07033	0.6
106.04176	0.6
107.04981	1.1
117.03369	26.6
119.04953	0.6
122.03648	0.8
124.05247	0.5
131.04906	1.3
131.08504	0.5
133.06470	0.5
134.03658	2.0
135.04411	1.8
135.38792	0.5
137.05974	8.9
145.02835	57.4
146.03366	0.9
147.04434	0.5
149.05975	9.1
151.03896	1.3
151.07565	1.1
160.05157	0.4
161.05956	3.3
163.03891	1.8
163.07558	1.2
169.06532	0.4
175.07491	2.2
177.05455	100.0
178.05818	2.0
180.21870	0.4
180.23515	0.4
183.57381	0.4
184.18961	0.4
185.90218	0.4
186.05522	1.1
189.05446	10.8
189.09087	1.7
201.05441	1.0
201.08998	0.6
203.07083	0.5
205.04929	1.6
219.10175	1.0
229.04977	0.5
233.09471	0.7
233.11670	0.5
247.05980	5.9
251.07085	0.8
252.07977	0.5
261.09036	0.6
265.08533	1.7
267.10294	0.6
268.07376	0.7
279.06424	0.5
281.11633	0.5
282.08704	0.5
283.09634	0.9
293.11728	1.8
297.11185	1.6
311.09171	2.7
311.12469	0.7
313.14175	1.4
315.12109	0.6
323.12753	0.7
325.14291	3.6
343.15402	3.6
350.24588	0.4
353.10013	0.7
369.13190	0.6
395.14792	1.2
440.21487	0.5
517.18384	0.6
553.88141	0.5
571.19354	1.5
589.20526	6.9
590.20673	0.6
730.39758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.1
56.05026	0.9
58.06312	0.1
58.06615	0.5
59.07373	0.2
59.52818	0.1
60.08158	6.8
67.05488	0.6
68.38764	0.1
69.07053	0.1
69.13974	0.5
70.06589	0.2
71.07368	3.3
77.89914	0.1
79.05476	0.4
81.03407	0.1
81.07050	0.3
85.91333	0.1
86.09697	31.9
87.10018	0.4
91.05474	0.4
93.07042	0.3
95.04923	0.1
95.08601	0.3
98.98450	3.8
102.05969	0.1
104.10733	2.4
104.59876	0.1
105.07008	0.2
109.10154	0.2
109.18568	0.1
119.08553	0.1
121.10170	0.1
124.99992	22.1
126.00355	0.1
143.01039	0.2
166.02597	0.1
167.66426	0.1
184.07323	100.0
185.07672	1.4
229.68144	0.1
334.69635	0.1
433.19162	0.1
468.23911	0.2
533.38159	0.1
730.46539	3.9
731.47632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78234	0.2
55.05492	0.4
56.05030	0.9
57.03423	0.2
58.06349	0.3
58.06615	0.5
59.07402	0.2
60.08157	6.4
61.08491	0.2
67.05503	1.2
70.06590	0.3
71.07368	4.3
79.05477	0.5
81.03397	0.2
81.07046	0.9
83.08624	0.2
86.09696	32.5
91.05477	0.6
93.07030	0.7
95.04945	0.2
95.08586	0.4
98.98459	3.9
101.09441	0.2
104.10734	2.5
105.07032	0.2
107.08568	0.3
109.10155	0.4
117.06956	0.2
119.08533	0.3
121.06490	0.2
121.10105	0.3
124.99992	20.7
125.09682	0.2
131.08568	0.4
133.10168	0.2
135.11667	0.3
143.01048	0.2
146.01538	0.2
151.22670	0.2
184.07323	100.0
185.07663	0.9
229.82376	0.2
269.17899	0.2
273.16867	0.2
330.75513	0.2
335.25485	0.2
489.35330	0.2
730.46533	4.2
731.45038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
61.02920	1.2
67.05491	1.0
69.03413	0.7
69.07063	0.7
69.83636	1.4
79.05490	0.7
81.03416	1.3
81.07046	1.3
83.04990	0.5
85.02903	1.9
91.03941	0.5
91.05464	1.1
93.07061	0.7
95.04979	0.5
95.08601	0.7
97.02887	1.9
101.02406	0.5
105.07083	0.6
107.08588	0.7
119.08588	0.9
121.10165	0.6
127.03894	0.6
137.05991	1.1
145.10107	0.4
163.11295	0.6
193.12250	0.6
210.28036	0.5
216.39377	0.4
243.08286	0.5
253.39642	0.5
271.45139	0.4
286.16656	0.4
378.58957	0.5
405.21036	0.5
443.18964	0.5
469.20221	2.3
485.19928	0.9
503.20288	0.8
641.31421	0.5
695.30994	0.5
713.33887	3.3
731.32874	100.0
732.33014	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	731.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.4
55.02005	0.4
55.05389	0.7
55.05643	0.6
57.03282	1.1
57.03596	1.1
61.02755	2.4
61.03114	2.0
64.37006	0.3
67.05325	3.8
67.05733	2.6
69.03238	1.6
69.03651	0.7
69.06929	0.5
70.06470	0.4
71.04844	0.5
71.05187	0.3
72.83688	0.3
73.02730	2.5
73.03185	1.1
74.58547	0.3
79.05291	1.4
79.05792	0.5
81.03211	2.9
81.03750	1.2
81.06845	1.7
81.07375	0.7
83.04808	0.7
83.05247	0.4
83.08421	0.8
85.02694	3.5
85.03274	1.3
87.04304	0.6
91.03740	1.8
91.04358	0.4
91.05264	1.8
91.63022	0.3
93.06825	1.3
93.07458	0.6
95.04737	1.1
95.08385	1.0
95.08934	0.4
97.02666	3.5
97.03365	1.1
97.06378	0.4
98.84389	0.3
99.04261	0.8
99.04796	0.3
101.02145	1.8
101.02837	0.4
104.20267	0.3
105.06796	1.5
107.04790	0.5
107.08401	0.7
108.08592	0.3
109.02682	0.4
109.06349	0.5
109.09908	4.4
109.10751	1.0
111.07919	0.5
111.08568	0.4
115.03762	0.4
117.06782	0.4
119.08318	1.7
121.06329	0.3
121.09901	0.8
121.10711	0.4
127.03659	1.4
129.05235	0.4
129.06787	0.7
131.08356	0.7
133.09962	0.6
135.07872	0.4
135.11444	0.4
137.09415	0.7
138.59259	0.3
139.03494	0.3
147.11400	1.1
149.09457	0.4
155.10403	1.0
157.09926	0.6
163.10976	0.5
172.73160	0.3
173.11435	1.9
175.10875	1.0
185.03979	0.7
193.12210	1.7
195.09720	0.6
203.05037	0.5
211.13049	0.6
221.05025	0.3
226.93051	0.3
229.14015	1.0
243.08473	2.4
251.12518	1.8
267.15604	0.5
285.16769	0.3
301.08627	0.7
307.14865	0.7
327.98099	0.4
361.07800	0.6
413.17789	11.3
414.17719	0.5
443.18488	0.6
469.20422	11.1
470.20438	1.0
479.25766	0.7
486.71478	0.4
501.23120	0.5
641.31378	100.0
642.31683	6.7
659.32495	0.4
667.32990	1.8
681.30591	1.6
685.33588	1.3
687.35541	0.8
699.26373	0.4
713.33459	2.0
731.34399	22.9
732.35187	2.0
751.66150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01872	0.8
55.05518	1.2
57.03429	2.2
57.93705	0.4
61.02915	3.8
66.37824	0.4
67.05495	3.1
69.03427	2.6
69.07060	1.1
71.01351	0.6
71.04976	0.8
73.02914	2.9
77.97546	0.5
79.05495	3.3
81.03410	4.5
81.07043	3.2
83.04977	1.5
83.08620	1.0
85.02901	5.1
86.82208	0.4
87.04451	0.7
91.03928	3.1
91.05452	3.3
93.07035	3.2
95.04984	1.6
95.08605	2.1
97.02877	4.4
97.06538	0.9
99.04445	0.7
101.02393	1.5
105.07018	2.1
107.04942	0.8
107.08615	1.7
109.02885	1.2
109.10159	0.6
111.04466	1.0
111.08079	1.0
117.07051	0.8
119.08595	1.5
121.10149	2.0
123.08071	0.5
127.03934	1.5
129.07014	0.5
131.08580	1.0
133.10139	1.0
135.11783	0.6
137.06009	1.5
145.10147	0.8
147.11728	1.0
149.09572	0.9
153.01848	0.6
157.10153	0.8
163.11244	1.2
167.07089	0.9
175.11197	0.6
185.04239	0.7
193.12306	1.4
209.11685	0.8
211.13272	0.6
243.08522	1.6
251.12605	1.5
267.12332	0.5
285.13181	1.5
307.15366	0.5
310.89529	0.4
409.22293	0.4
413.18155	0.5
422.43536	0.4
441.17438	0.6
469.20389	7.5
485.19870	4.0
487.21591	0.5
503.20392	2.2
641.31537	1.5
654.92889	0.5
687.32166	0.8
713.33502	6.6
714.33850	0.7
731.34296	100.0
732.34564	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	731.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01878	1.0
55.05521	1.0
57.03432	1.8
59.04996	0.9
61.02923	4.3
61.55265	0.5
67.05501	4.6
69.03425	2.7
69.07059	1.4
71.00544	0.4
71.04990	4.7
71.27457	0.4
73.02911	3.3
79.05495	3.2
79.64948	0.4
80.95462	0.4
81.03413	3.2
81.07052	3.3
83.04984	0.6
83.08612	1.0
84.48430	0.4
85.02898	4.1
85.06561	0.8
87.04504	0.5
91.03949	2.8
91.05466	3.2
93.07037	2.9
95.04965	2.1
95.08617	1.7
95.37201	0.4
97.02896	3.8
97.06548	1.1
99.04478	1.0
101.02418	1.8
103.03976	0.6
104.06940	0.4
105.07004	2.0
107.04964	0.6
107.08620	1.8
109.02898	0.8
109.06532	0.5
109.10143	3.8
111.04420	0.4
111.08060	0.5
111.81516	0.5
116.93865	0.4
117.07069	0.4
119.08608	1.7
121.10138	2.1
123.11751	0.5
125.48285	0.4
127.03935	1.2
129.06956	0.6
131.08604	1.2
133.10155	1.5
134.21857	0.4
135.11732	1.7
137.09639	1.6
145.10146	0.8
147.11703	1.0
149.09682	1.6
157.10228	0.7
163.11247	0.8
173.11772	0.7
175.11185	0.9
185.04210	0.7
193.12300	1.2
206.38190	0.4
243.08356	2.5
243.15974	0.5
253.14183	1.2
267.15820	0.7
283.15054	3.9
339.17941	0.8
413.17761	0.5
439.19321	0.5
447.51193	0.5
471.21976	9.7
472.22522	0.9
501.23050	9.4
502.23062	0.7
567.79858	0.5
627.29541	3.5
641.29791	2.7
713.35828	0.7
731.38275	100.0
732.38672	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01867	0.6
55.05497	1.0
56.40629	0.3
56.71901	0.3
57.03432	1.7
59.76401	0.3
60.08157	0.5
61.02930	2.9
64.89923	0.3
65.50183	0.3
67.05501	4.1
67.69136	0.3
69.03425	2.2
69.07059	2.3
69.42474	0.3
69.54302	1.3
71.01335	0.5
73.02914	2.1
78.61982	0.3
79.05485	3.6
81.03416	2.0
81.07049	3.6
83.04979	0.6
83.08607	0.4
85.02900	3.2
85.06546	0.5
86.09692	2.0
88.83860	0.3
91.03938	1.9
91.05473	3.2
91.53665	0.3
93.07040	4.3
95.01398	0.3
95.04965	1.2
95.08601	1.3
97.02887	2.7
97.06551	1.6
97.10172	0.7
99.04447	0.6
101.02371	1.5
102.18578	0.3
105.07028	2.5
107.04951	0.6
107.08585	2.6
109.02893	0.8
109.10147	0.8
117.07022	0.6
119.08590	1.3
121.10114	0.4
125.00024	1.1
127.03902	0.7
129.06956	0.4
131.08572	0.8
133.10156	1.3
135.11681	2.7
145.10144	1.5
147.11786	0.4
149.09628	0.7
159.11713	0.4
179.14282	0.4
181.12265	0.5
184.07355	5.6
185.07722	1.4
186.07820	1.0
221.11522	0.8
243.08330	2.0
275.20062	0.6
277.14212	0.3
315.19272	3.1
371.22028	0.6
439.19373	8.5
439.25317	0.4
440.19730	0.6
481.61072	0.4
533.27106	5.5
569.34558	0.5
693.96112	0.4
731.39636	100.0
732.40021	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	731.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
57.03419	2.2
61.02925	4.0
62.12407	0.9
67.05505	4.8
68.86538	0.9
69.03432	2.9
69.07067	2.1
73.02927	3.3
79.05504	4.1
81.03402	1.2
81.07042	5.3
83.08634	1.2
85.02881	6.0
91.03963	3.1
91.05514	1.7
93.07043	3.6
95.08633	2.8
97.02901	5.0
101.02384	1.8
105.07059	1.3
107.08595	1.6
109.02899	1.3
109.10142	1.0
127.03938	1.2
131.08545	1.3
135.11754	0.9
159.11722	1.1
181.20602	1.0
235.13098	1.1
243.08374	1.7
254.45583	0.9
311.34860	1.0
453.20978	4.1
519.29413	6.6
543.41162	1.0
634.91309	1.1
731.43323	100.0
732.43451	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	731.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.96946	0.4
55.05511	1.4
57.03434	1.4
61.02922	4.9
67.05497	5.7
69.03431	2.6
69.07076	1.3
69.19331	2.0
69.19740	0.9
73.02911	3.8
79.05483	3.1
81.03421	1.7
81.07056	6.1
83.08633	1.0
85.02891	4.1
91.03951	2.4
91.05476	2.1
93.07045	5.2
95.04984	1.2
95.08598	3.0
96.88731	0.4
97.02879	4.2
97.06541	0.7
99.04442	0.8
101.02364	2.1
103.03880	0.6
104.30661	0.4
105.07034	0.9
105.14520	0.4
106.61195	0.4
107.08587	2.5
109.02898	0.9
109.06546	0.6
109.10143	0.9
111.84515	0.4
113.84222	0.4
117.07101	0.7
119.08611	0.7
121.10150	2.1
123.11730	0.4
127.03934	1.0
131.08597	1.6
133.10182	0.8
135.11725	1.1
145.10229	0.6
149.13284	1.4
159.11777	0.9
173.13326	0.6
185.04182	0.6
235.13167	0.6
243.08545	1.8
283.15353	0.6
453.20959	6.0
519.29187	5.1
534.38525	0.5
535.40259	0.6
731.43317	100.0
732.31995	0.6
732.43903	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	732.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
57.03440	0.5
61.02908	0.6
69.03410	1.2
71.04971	0.4
73.46223	0.3
75.14874	0.4
76.61392	0.4
78.04720	0.7
79.05479	1.6
79.96175	0.3
81.03432	0.5
83.04884	0.4
84.04523	0.4
85.02882	2.5
91.05457	2.2
93.07036	1.4
95.04962	0.9
97.02883	1.2
103.05455	1.0
105.07020	7.1
107.04933	2.2
107.08588	0.4
111.04407	0.4
114.05515	0.7
115.05441	1.5
117.07037	2.0
118.04137	0.5
119.04921	1.0
121.06490	2.2
123.04437	0.7
123.08076	0.5
124.05175	0.4
127.03912	0.8
128.06229	0.6
129.06995	1.2
131.04921	1.4
131.08542	0.8
132.05667	0.7
133.06468	7.7
135.04381	0.5
135.08014	1.2
137.05946	1.9
138.06784	0.4
143.06026	0.5
143.08534	0.7
145.04936	0.5
145.06454	0.8
147.07979	0.5
149.05949	0.9
151.03899	0.8
151.07513	6.4
152.04703	0.4
153.01778	1.9
153.05441	1.1
157.06445	1.8
159.08049	0.8
160.05153	0.8
161.05959	10.5
161.09618	0.9
162.06612	1.8
163.07484	1.8
165.09114	0.9
166.06178	0.6
167.07011	13.1
171.08121	0.5
174.06784	0.8
175.07506	4.3
177.09077	100.0
178.06201	0.6
178.07901	0.5
178.09332	2.6
181.06894	0.6
181.08559	8.4
189.09070	7.2
191.07013	1.6
191.08516	0.4
193.08569	54.5
194.08907	1.1
195.08339	0.6
195.10136	3.1
197.09546	0.6
203.10617	1.7
206.23654	0.4
207.08125	0.5
207.10097	1.2
210.06723	0.4
219.08002	0.5
219.10033	0.7
221.05862	0.7
221.11690	23.6
222.11993	0.7
223.07440	0.8
225.09068	1.0
227.06938	0.7
241.08473	0.4
247.07466	0.5
249.11197	1.7
253.08569	1.3
255.06625	0.4
255.10104	0.8
257.11655	1.6
265.08481	0.4
266.06464	0.5
279.09995	0.7
283.09692	0.8
283.13141	0.8
285.11206	2.6
299.09341	0.7
302.11203	0.5
309.11096	1.7
315.12161	1.6
317.13696	1.4
329.13751	1.0
331.15164	0.5
341.13629	1.1
343.15253	3.0
357.16953	0.5
361.16385	27.3
362.16644	1.2
373.16348	4.8
375.17877	1.4
432.12302	0.4
752.43280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05933	1.4
53.03950	2.5
55.01866	2.6
55.05256	2.1
55.05508	28.9
57.03434	15.5
57.07065	6.7
58.44749	1.4
59.39172	1.3
60.08146	2.3
61.02910	3.5
67.05500	32.4
69.03417	4.1
69.07065	25.1
69.18890	8.2
71.04983	5.4
71.07343	2.1
71.08617	2.6
79.05482	27.5
81.03409	44.1
81.07050	37.3
83.04971	11.7
83.08609	30.2
83.17895	1.3
85.02896	19.5
85.06537	3.5
86.09695	17.6
91.03954	3.0
91.05477	26.0
93.07031	20.0
95.04959	18.1
95.08604	21.2
97.02888	6.5
97.06522	5.6
97.10161	11.7
97.71960	1.4
98.98441	1.8
99.08071	1.9
104.10697	2.1
105.07023	15.3
107.04941	4.9
107.08572	10.8
109.06493	1.7
109.10147	9.0
109.88359	1.6
111.04424	3.0
111.08081	10.7
111.11710	2.8
113.05991	2.8
115.05444	1.5
117.07024	2.1
119.08571	16.6
121.10146	15.0
123.11690	3.6
125.00007	10.9
125.09632	2.0
128.09682	1.6
129.06973	5.2
131.08548	8.0
133.10138	8.1
135.11665	7.8
142.07774	1.4
147.08015	3.1
147.11647	9.7
149.09573	5.4
149.13316	2.6
157.10130	11.2
163.14798	1.7
175.11176	10.8
182.93825	1.5
184.07320	59.7
185.07700	3.1
193.12210	33.1
193.13966	2.1
194.12628	1.8
195.00275	1.9
211.13268	55.8
212.13527	1.5
251.23836	1.9
256.14862	1.6
267.15921	17.6
285.16940	61.1
286.17340	3.9
325.27316	70.3
326.27765	2.2
423.68961	1.5
510.23788	1.6
517.38794	14.6
535.39886	100.0
536.40210	4.5
542.09332	1.5
562.34180	3.9
732.45929	4.6
733.38971	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	732.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67987	3.2
56.70166	3.1
57.07069	42.4
58.67636	2.9
71.08627	34.0
73.06551	11.9
76.54374	3.2
80.49346	4.2
85.10186	13.8
87.04469	12.0
89.06027	100.0
111.11774	3.3
117.09095	4.4
133.08585	50.5
173.98048	3.2
177.11162	18.8
184.07329	5.2
194.27011	3.1
243.75014	4.4
257.24847	6.8
268.52667	3.9
289.25967	3.9
301.27228	3.7
506.54120	3.8
710.55621	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	733.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01868	0.5
55.05511	1.4
56.22561	0.3
57.03437	1.8
61.02921	4.8
67.05500	4.0
69.03416	2.5
69.07070	1.0
70.92751	0.5
71.04984	0.7
73.02909	3.3
76.35655	0.3
79.05485	5.4
81.03417	1.7
81.07047	3.7
83.04980	0.5
83.08612	0.8
85.02887	3.7
89.86253	0.3
90.33080	0.3
91.03950	3.3
91.05473	3.3
93.07037	5.5
95.04944	0.7
95.08592	1.9
97.02872	3.6
97.06553	0.9
97.10177	0.9
99.04478	0.9
101.02381	1.4
105.07005	2.5
107.08595	2.8
109.02837	0.5
109.06557	0.4
109.10166	1.1
111.08065	0.3
115.03957	0.5
117.07050	1.0
118.14545	0.3
119.08571	2.2
121.10105	1.7
127.03940	1.0
129.06998	0.4
131.08588	1.3
133.10110	2.1
135.11688	4.0
137.09665	0.4
143.08560	0.4
145.10153	1.0
147.11690	1.3
149.13272	0.6
159.11710	0.6
161.13277	0.5
169.86240	0.3
171.11723	0.5
181.12253	0.4
185.04213	1.0
203.05225	0.4
205.69818	0.3
207.20419	0.3
209.73592	0.3
221.11421	1.7
243.08357	2.9
255.16176	0.5
259.07950	0.3
301.08984	1.3
315.10596	1.0
317.20996	0.6
348.51868	0.3
365.15833	0.4
369.15338	0.5
373.11124	0.7
373.23694	0.5
383.16852	0.5
429.17407	0.8
439.19339	6.2
439.24503	0.4
465.20914	0.4
511.21472	1.7
535.28638	6.9
567.29315	0.4
595.30951	0.5
609.30841	0.3
677.78455	0.4
714.30731	0.3
733.41217	100.0
734.41418	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	734.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01865	1.1
57.03421	0.4
58.18373	0.3
58.65594	0.3
60.58960	0.4
69.03413	0.8
69.07060	0.4
72.77991	0.4
79.05491	0.9
81.03406	4.6
81.07056	0.5
83.04976	0.6
85.02898	1.7
91.05464	1.9
94.04184	1.3
95.04961	0.9
97.02897	0.9
99.21260	0.4
103.05455	2.3
103.79851	0.4
105.07018	1.8
107.04922	0.9
107.08569	0.6
109.02888	0.6
109.06516	0.5
115.05444	1.2
117.07056	0.9
119.04911	2.3
121.06487	0.7
122.03642	3.7
125.02299	0.5
127.03878	1.2
128.06114	0.4
129.07025	2.4
131.04938	4.5
133.06464	1.7
137.05960	100.0
138.06314	1.5
143.04926	1.0
144.05647	0.4
145.04984	0.4
145.06441	1.5
147.04378	3.5
149.05870	0.5
151.03902	3.4
151.07599	2.0
153.01804	8.3
157.06462	2.6
159.04366	0.6
159.08061	0.5
160.05190	1.8
161.05971	5.0
162.06763	1.5
163.07532	5.0
171.02870	0.4
173.05925	1.0
174.06900	0.5
175.07529	18.8
177.05453	1.2
179.07042	1.8
185.05971	1.0
187.07530	4.9
188.08246	0.6
189.09093	4.3
199.07564	2.4
203.06918	0.5
205.08563	12.3
205.10439	0.8
207.08002	0.6
211.07553	0.6
213.09032	0.5
215.03203	0.6
215.06908	0.4
217.08543	5.2
224.08292	0.4
229.08575	1.0
233.04523	1.2
235.07411	0.6
235.09625	5.3
259.09665	0.6
265.08575	0.5
267.10092	0.9
277.03348	0.9
283.09680	0.6
291.09940	0.7
297.11307	0.7
299.12570	0.5
321.11295	0.7
323.12607	0.8
327.11957	0.7
335.12839	1.1
339.12115	0.5
353.13672	0.4
357.13336	0.5
365.13837	1.0
411.13467	0.5
413.15875	0.6
448.14771	0.4
487.17676	2.0
489.18884	0.7
501.19040	0.5
507.20279	0.7
519.20142	1.8
648.23175	0.6
690.24390	2.9
734.23370	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	734.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34791	4.8
86.77135	3.9
90.56524	4.0
91.05451	9.6
93.91874	3.9
103.05434	5.4
105.07021	7.5
122.03587	9.6
137.05965	100.0
141.06810	4.3
145.02785	7.8
147.04410	4.7
151.03899	6.9
151.07509	29.8
161.05954	32.7
161.09630	6.4
163.07446	6.3
164.01978	4.4
167.06998	6.0
175.07555	15.0
177.05412	20.0
177.09039	6.7
189.09006	15.0
195.10127	11.6
207.10104	8.8
219.08072	8.8
219.10138	18.9
221.05927	5.9
237.09023	7.7
251.06688	4.7
253.38551	4.7
265.08490	16.7
267.10202	7.3
272.12042	4.7
273.11292	4.9
277.08582	12.4
285.11237	23.5
295.09711	5.4
297.11188	19.7
307.10025	6.8
309.11087	10.7
311.12744	6.5
358.04016	5.2
400.65842	5.1
431.14551	7.2
445.16144	8.7
477.18369	4.8
609.24615	16.9
627.25873	41.7
628.25983	8.2
639.25793	14.6
734.35797	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	734.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07734	0.6
53.03950	1.6
55.01860	5.4
55.05507	17.8
55.05777	0.9
57.03431	9.5
57.07073	1.5
59.04987	4.9
61.02919	4.5
65.03938	3.2
67.05498	100.0
68.02669	0.6
68.05843	1.4
69.03416	5.0
69.07063	27.2
70.07150	1.4
71.01361	0.9
71.04989	5.2
73.02914	2.7
79.05486	19.9
81.03421	5.8
81.07049	29.8
82.07358	0.7
83.04976	4.6
83.08608	9.4
85.02899	6.5
85.06525	3.6
87.04431	0.7
91.03934	1.0
91.05471	26.9
93.07033	21.4
95.04951	7.7
95.08598	21.4
95.09206	0.8
96.08952	0.7
97.02888	4.3
97.06528	6.5
97.10184	5.3
99.04420	0.7
99.08109	1.2
105.04539	1.4
105.07021	15.5
107.04942	4.7
107.08585	10.5
109.02876	0.8
109.06492	3.3
109.10145	65.2
110.10485	0.9
111.04439	1.2
111.08076	5.2
113.05977	0.9
117.07007	5.9
119.04898	0.9
119.08570	14.9
121.06498	2.1
121.10131	6.1
123.08060	3.1
123.11691	1.5
125.09605	3.9
127.03929	2.2
129.05481	1.1
129.07024	2.6
131.08565	6.8
133.06404	0.8
133.10107	8.1
135.08080	2.5
135.11659	3.5
137.09607	10.0
137.13281	0.7
141.07002	1.1
143.08545	2.3
145.10143	4.9
147.08011	1.2
147.11670	6.0
149.09590	8.8
149.13290	1.5
151.11182	0.9
155.08554	0.9
155.10645	3.6
157.08846	0.6
157.10162	2.4
159.08095	0.8
159.11685	4.9
161.09639	1.1
161.13266	2.2
163.11163	4.4
165.09113	0.8
165.12796	0.7
166.09698	0.6
169.10117	0.9
171.11717	2.2
173.11731	23.4
173.13237	2.0
174.12088	0.7
175.11252	1.0
177.12776	1.6
179.14319	2.8
187.11232	1.3
189.11235	1.8
193.12318	0.9
195.13731	0.8
211.13519	0.7
223.13316	0.9
227.12732	3.3
227.17993	0.7
229.14328	42.9
229.19337	1.2
230.14691	0.9
234.65315	0.7
239.18106	1.1
257.19070	2.6
267.16019	1.4
273.18533	2.4
275.20026	13.5
281.17505	1.2
289.54211	0.8
291.19501	4.0
293.21136	1.7
321.24353	0.9
325.20145	5.2
349.23642	16.3
349.27637	1.0
365.23236	1.2
377.09659	0.7
383.24258	12.2
397.25912	1.7
407.27911	6.5
409.25558	1.1
423.27679	1.7
503.33661	19.9
504.34070	1.6
509.80573	0.8
519.32953	0.8
521.34869	2.9
527.27832	0.7
543.37317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01871	9.7
55.05509	20.6
56.40682	1.2
57.03435	15.7
57.07071	4.8
60.08156	1.1
61.02929	4.0
65.03927	1.1
67.05503	22.3
69.03425	3.4
69.07063	19.5
71.04969	2.4
71.08628	1.8
73.02915	4.9
77.29433	1.1
79.05493	17.4
81.03424	7.3
81.07056	25.8
82.04195	2.8
83.04971	7.4
83.08610	14.8
85.02902	4.4
85.06538	1.4
85.10177	1.1
86.09705	6.8
91.03970	1.5
91.05477	10.9
92.12502	1.0
93.07040	15.8
94.44155	0.9
95.04969	9.2
95.08604	17.3
97.02888	4.1
97.06541	6.1
97.10161	14.4
98.07321	4.9
99.08104	2.1
105.07046	4.5
107.04955	1.8
107.08592	10.1
109.06552	2.0
109.10149	7.8
110.37477	0.9
111.08089	4.0
111.11732	2.2
116.04699	9.8
117.05523	1.2
117.07008	1.9
119.08585	5.0
121.10147	10.3
123.08065	3.4
123.11666	1.5
124.99998	4.3
125.09632	10.5
127.11194	1.8
129.05467	23.8
129.07002	2.4
131.08565	3.2
133.10136	3.7
135.08104	1.1
135.11674	7.9
137.13301	1.3
143.06995	5.5
143.10759	1.7
145.10143	2.0
147.04794	1.0
147.11713	2.9
149.09604	1.5
149.13298	2.3
151.14795	1.0
153.12891	1.2
155.58607	1.0
157.08609	10.9
157.10072	2.7
158.05803	1.1
163.11168	2.2
163.14987	1.0
165.12793	1.6
171.06581	1.7
171.10185	5.2
175.11253	2.1
184.07318	22.7
185.07697	4.2
186.07787	1.7
189.11185	6.2
193.12213	4.9
195.00383	2.4
199.13335	3.0
200.14070	2.1
209.11629	1.2
211.13312	2.7
213.14764	1.2
219.21114	2.1
227.12766	10.4
229.14445	1.5
237.22171	3.2
246.86896	0.9
267.15958	6.0
283.15228	2.3
285.17172	1.5
301.16440	100.0
302.16797	3.5
311.25766	65.5
312.26245	2.1
365.26761	2.5
503.37558	2.4
519.36975	2.1
520.37183	1.5
537.37842	61.2
538.37958	3.9
562.38544	1.8
637.26868	1.5
734.40979	11.1
735.42468	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01870	13.0
55.05256	2.9
55.05506	29.6
57.03432	16.5
57.07074	8.9
60.08151	3.4
61.02918	9.2
65.03939	1.4
67.05499	38.6
69.03431	5.9
69.07065	32.3
71.04989	4.3
71.08616	5.9
73.02904	6.3
79.05485	26.5
81.03409	12.3
81.07050	35.4
81.07505	2.9
82.04224	1.7
83.04990	10.9
83.08618	24.3
85.02894	9.1
85.06525	2.6
85.10141	2.1
86.09704	9.2
87.04463	1.5
89.26743	1.5
91.03932	5.2
91.05472	18.6
93.07035	22.8
95.04964	10.2
95.08593	25.0
97.02882	5.3
97.06525	7.9
97.10154	17.1
98.07315	3.7
99.04454	1.8
105.07030	8.2
107.04963	3.7
107.08588	15.6
109.06480	1.3
109.10137	14.2
111.08076	5.3
111.11700	3.3
116.04711	8.6
117.06977	3.3
119.08569	8.0
121.06485	2.6
121.10122	12.5
123.08067	2.3
123.11700	4.5
125.00000	6.7
125.09606	10.8
127.11198	2.7
129.05472	21.6
131.08574	3.5
133.10139	9.4
135.11685	10.9
137.09592	2.1
137.13284	4.0
143.07048	3.8
145.10115	3.9
147.08000	1.5
147.11674	5.9
149.13248	4.2
157.08554	11.3
157.09737	1.5
161.24797	1.5
163.11136	3.8
163.14819	1.9
171.06535	2.5
171.10208	2.6
175.11154	2.8
184.07318	28.4
185.07733	5.2
186.07791	2.7
189.11285	4.3
193.12241	7.1
195.00337	4.9
199.13229	2.9
201.14903	1.7
209.11751	4.2
211.13342	4.2
219.20966	2.1
224.15919	1.5
227.12776	7.6
237.22078	2.6
255.15916	2.0
267.15988	4.2
283.15390	7.9
301.16440	52.5
305.71564	1.7
311.25760	83.7
312.26016	3.9
365.26797	3.4
400.22690	3.3
457.32394	1.5
465.35001	1.8
501.35355	2.6
503.37228	5.1
519.29584	2.9
519.36786	9.0
520.29700	3.4
537.37836	100.0
538.38110	5.8
734.41345	72.9
735.41809	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	734.496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
56.05032	0.6
58.06608	0.4
60.08159	4.3
67.05490	0.4
69.07928	1.7
71.07079	0.2
71.07372	2.2
81.07037	0.4
86.09698	19.4
89.93701	0.3
91.05478	0.4
93.07006	0.3
98.98460	2.8
104.10737	1.6
124.99992	14.6
136.39120	0.2
168.50438	0.3
184.07323	100.0
185.07671	0.7
248.83301	0.3
267.15887	0.5
272.57004	0.2
299.15192	0.3
313.27316	1.0
327.03741	0.3
441.02267	0.3
493.66068	0.3
505.39188	0.3
524.37177	0.4
635.93634	0.3
734.37427	0.5
734.49567	7.6
735.41943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24166	0.1
53.03924	0.1
61.16074	0.1
64.61549	0.1
69.03393	0.2
71.42354	0.2
71.52460	0.1
79.01846	3.9
81.03407	1.5
92.60880	0.1
97.02873	0.9
103.05463	0.3
105.06979	0.2
107.01324	0.9
107.04961	0.2
109.02865	3.1
117.22999	0.1
119.04929	0.2
125.02352	2.2
125.06001	0.2
127.03931	0.4
131.04912	0.5
137.05968	1.3
139.34888	0.1
143.03386	5.7
144.03676	0.2
151.03909	0.3
151.07553	0.2
153.01814	100.0
153.02858	4.6
154.02147	1.5
159.04379	0.5
161.05972	0.4
163.03833	0.2
163.07565	0.2
167.07066	0.2
175.07497	0.2
177.05389	0.4
179.93861	0.1
181.01311	0.5
183.02959	0.2
187.03882	0.4
197.00795	0.2
205.04955	0.5
213.03830	0.2
215.03398	0.4
217.04955	0.4
226.59380	0.1
233.04395	1.5
237.03915	0.2
243.02876	0.4
261.03955	2.0
279.04938	1.3
337.57925	0.1
359.14771	0.4
449.07126	2.7
473.56653	0.1
579.01459	0.2
619.09119	1.3
734.35101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01865	16.0
55.05505	37.5
57.03434	16.4
57.07068	3.4
61.02929	6.0
64.76029	1.9
65.03930	5.6
67.05496	98.8
69.03424	17.8
69.07056	24.6
71.04989	8.8
73.02914	5.2
73.06548	2.6
77.03910	3.4
79.05486	99.7
81.03408	40.4
81.06553	4.9
81.07047	99.4
81.24020	2.0
83.04971	20.9
83.08595	17.7
84.64467	2.2
85.02879	11.3
85.06535	5.0
91.05470	100.0
93.06445	4.5
93.07035	91.0
95.04958	41.2
95.08600	48.1
97.02876	11.3
97.06522	23.0
97.10166	5.4
97.84580	3.0
98.23516	3.8
99.04454	3.7
99.08061	4.6
103.05473	4.0
105.04504	6.6
105.07018	76.7
107.04929	19.8
107.08585	39.1
109.02876	6.1
109.06496	12.5
109.10170	12.7
109.10851	2.2
111.08068	5.0
115.05462	6.6
117.07002	19.4
117.12170	2.1
119.08567	53.6
121.06482	12.5
121.10119	18.3
122.25098	2.3
123.08074	9.5
123.11726	3.3
125.09634	4.9
127.03938	7.7
128.06209	6.0
129.05487	2.9
129.06975	22.0
130.07782	3.1
131.08549	24.1
133.06480	4.7
133.10124	36.4
135.08043	6.7
135.11699	8.3
137.09596	5.0
139.07452	2.6
143.08543	17.9
145.06427	3.1
145.10097	23.9
147.08058	5.8
147.11667	49.7
149.09567	10.8
149.13237	7.5
151.11192	4.8
155.08595	4.0
157.06499	2.6
157.10109	7.5
159.11646	15.7
161.09641	9.0
161.13274	14.7
163.11168	9.4
163.14819	2.3
165.12738	4.5
169.10106	4.1
171.11652	33.1
173.04404	11.6
173.09573	4.0
173.13280	6.8
177.12758	3.7
180.03880	2.4
183.11667	4.0
184.07300	2.2
187.11197	2.3
187.14838	2.8
189.12735	13.3
197.13249	3.3
207.11961	4.1
207.13773	34.0
227.12654	10.4
229.14325	2.9
229.19342	3.0
247.20462	2.4
253.14337	2.4
257.18970	13.1
267.15942	4.7
269.17535	3.0
275.20029	62.4
276.20313	2.6
281.17432	71.9
281.20468	4.2
293.21140	5.1
317.32800	2.2
331.22601	4.5
349.23700	28.7
367.24966	3.2
413.21542	7.1
435.27182	4.0
459.30777	4.3
475.30539	52.9
476.30865	4.8
515.33350	4.1
537.35602	6.2
555.36713	50.5
556.36731	3.6
573.37677	12.9
597.37457	2.5
619.34900	15.5
699.41162	3.6
717.40503	3.5
735.43256	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	736.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.01862	1.5
66.16126	0.7
67.35869	0.6
69.03429	1.1
79.05482	2.3
81.03404	0.8
81.07019	0.9
84.38797	0.6
85.02908	1.9
91.05471	7.5
92.31439	0.6
93.07030	1.2
94.04165	1.6
95.04958	2.2
98.22550	0.9
103.05462	4.7
105.06999	2.3
107.04940	2.7
109.06489	0.8
115.05454	1.4
117.07010	4.2
119.04932	4.8
119.08573	0.8
121.06491	3.4
122.03643	3.7
123.08056	1.2
128.06215	1.1
129.06961	2.4
131.04922	8.5
131.08591	0.7
133.02805	4.4
133.06488	2.0
135.07994	1.4
137.05960	59.0
138.06271	1.1
141.06946	1.0
143.04980	0.7
143.08470	0.7
145.06503	1.2
147.04364	3.9
147.08075	0.9
149.06001	3.6
151.03912	1.4
151.07520	20.3
153.01826	2.1
157.06474	2.2
159.08110	1.2
160.05171	1.0
161.05954	15.0
161.09608	1.7
162.06717	3.0
163.07538	20.9
165.05525	1.6
165.06935	1.4
167.07054	1.3
169.06586	0.7
174.06752	2.0
175.06122	1.4
175.07545	16.8
176.08124	0.8
177.09088	100.0
178.09407	2.0
179.06996	2.0
179.08467	1.0
181.06421	0.8
181.08615	1.5
187.07523	7.1
189.09077	10.0
190.07755	0.9
191.07019	1.1
191.08577	2.1
193.06482	1.3
193.08551	0.9
193.10176	0.6
194.07266	1.2
195.08011	2.2
195.10149	4.2
201.09048	3.7
202.07722	1.1
203.08722	0.9
203.10516	1.1
206.07297	0.9
207.08051	1.6
207.10133	5.3
208.08650	0.7
209.05954	0.9
209.09682	0.9
210.06850	0.8
214.18100	1.3
217.08606	1.5
218.07240	0.8
219.07991	3.6
219.10133	9.1
221.06010	1.8
221.09666	0.8
221.11694	14.9
222.06676	1.9
223.07491	1.8
223.11189	0.6
224.08345	1.3
225.09039	2.6
227.07043	0.8
231.08034	0.8
233.09604	0.9
235.07536	1.9
236.08217	1.1
237.09169	3.2
239.07056	1.0
239.10631	1.6
240.07780	1.0
247.07556	1.5
248.08192	1.0
249.09032	1.2
250.06284	0.7
251.07021	1.0
251.10637	2.7
252.07703	1.2
253.08582	4.6
255.10178	2.1
263.06927	0.8
263.10629	1.1
264.07651	0.9
265.08600	9.3
266.09229	1.8
267.10107	3.6
268.07608	0.7
270.08871	1.4
277.08685	0.9
279.10037	3.5
280.10696	1.5
281.11584	1.6
282.08945	0.7
283.09592	2.3
283.12582	0.7
285.11133	3.6
287.12683	1.8
291.10141	2.1
293.08231	1.1
293.11649	2.1
295.09680	1.5
296.10342	2.2
297.11212	8.3
298.12027	0.8
299.12723	3.4
305.11502	0.8
309.11212	7.1
310.11755	1.5
311.12756	9.4
313.14188	3.8
315.12006	0.9
323.12500	3.3
325.14481	4.2
326.14783	0.9
327.12097	1.3
329.13818	8.5
331.15359	3.2
331.86948	0.7
337.14291	2.8
341.13824	10.7
343.15363	2.9
351.15817	2.0
355.15329	7.8
367.15356	3.2
369.17197	0.8
381.16864	1.3
461.19467	2.1
475.21381	3.7
479.20682	5.8
480.20645	0.9
491.20251	2.4
493.22021	0.9
509.21457	2.6
763.67566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63083	1.0
55.01881	1.2
58.62027	1.1
69.03419	2.0
69.06704	2.7
69.07101	6.3
81.03391	1.7
85.02899	4.3
91.05470	12.7
94.04193	1.8
95.04976	3.4
97.02972	1.1
100.40867	1.3
103.05477	6.4
105.06419	1.3
105.07011	5.9
107.04946	4.8
115.05479	3.8
117.07016	3.3
119.04918	9.3
119.08590	2.3
121.06492	7.1
122.03638	4.6
123.04430	1.7
127.03906	1.5
128.06223	2.0
129.06950	2.6
131.04936	13.9
131.08533	2.3
133.02834	5.7
133.06458	3.2
135.04343	1.2
135.07968	2.9
137.05968	91.1
138.06303	1.4
145.06459	2.9
147.04405	5.0
147.08052	2.8
148.05171	2.5
149.05957	6.5
151.03941	1.4
151.07539	30.3
153.01822	3.7
157.06454	4.1
159.08047	2.2
161.05963	33.8
161.09622	5.5
162.06741	3.8
163.07542	34.5
165.05609	1.2
165.07034	3.2
165.09052	1.9
167.07036	2.2
171.08046	2.4
174.06824	2.7
175.07544	25.0
175.09082	1.3
177.09094	100.0
178.09378	2.4
179.07007	2.3
179.08498	2.1
181.06461	2.1
181.08571	1.3
187.07559	8.6
189.09129	17.2
191.06972	1.9
191.08502	2.9
193.06491	3.0
194.07339	2.3
195.08084	3.8
195.10153	7.2
197.09741	1.9
201.09081	5.2
205.06447	2.2
207.08286	2.0
207.10143	14.6
208.08760	1.3
210.06699	2.5
211.07556	1.7
217.08578	1.7
219.08055	5.8
219.10168	18.0
220.08704	1.5
221.06053	3.3
221.09691	2.6
221.11696	17.3
222.06679	1.4
223.07530	3.3
223.11124	1.9
224.08298	2.5
225.09142	5.3
227.07275	1.2
227.10652	2.0
235.07521	1.6
236.08339	2.5
237.09007	5.7
238.06212	1.7
239.06880	1.9
239.10674	1.9
240.07880	1.6
247.07668	2.8
249.09169	3.6
250.06239	1.2
251.07095	3.9
251.10645	4.7
252.07646	1.9
253.08594	11.6
255.06294	1.7
255.10242	3.2
261.09021	1.7
264.07837	1.9
265.08609	15.0
267.10104	4.8
269.08017	2.8
270.08896	3.3
277.08560	4.1
279.10144	7.5
280.10944	1.3
281.08044	1.5
283.09607	5.1
283.12991	1.3
285.11273	7.9
287.12726	2.9
291.10059	3.4
293.11655	2.7
295.09653	2.8
296.10388	4.3
297.11185	24.4
298.11545	1.6
299.12741	5.5
309.11145	11.7
310.11975	1.6
311.12759	14.6
313.10953	1.8
313.14380	5.3
315.12314	3.4
323.12708	8.1
325.14325	5.5
327.12164	2.1
329.13867	22.6
330.14279	1.8
331.15457	7.6
337.14279	5.4
341.13800	13.3
342.14346	1.3
343.15390	4.8
349.14481	2.1
351.15933	1.9
355.15430	18.3
367.15332	8.9
369.16953	1.5
381.16843	2.9
459.17825	1.6
461.19543	4.7
475.21088	3.4
479.20657	11.8
491.20563	3.7
493.22327	1.5
509.21609	8.0
660.78455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.5
57.03431	6.6
65.03935	2.4
67.05495	3.0
69.03430	4.3
73.02908	10.2
79.05498	4.0
80.05952	1.6
81.03419	2.8
81.45002	2.1
85.02894	3.1
86.57766	1.8
91.05476	4.6
93.07047	2.7
94.04179	1.8
95.04973	2.3
95.08654	2.4
103.05488	6.1
105.07020	2.6
107.04935	9.9
109.02871	2.7
109.06443	1.8
110.03655	1.8
115.05453	2.2
117.03362	2.2
119.04938	4.4
121.06487	4.7
122.03712	2.0
123.04452	3.2
123.08060	1.9
128.06235	3.6
129.06993	12.8
131.04936	12.2
131.08556	3.1
133.06476	2.6
136.36685	1.8
137.05952	37.8
140.04666	2.0
145.06476	5.2
147.04395	4.7
149.05971	9.0
149.87769	2.0
151.07523	5.7
153.01805	13.5
153.05417	2.0
155.69633	1.9
157.06503	12.7
159.04442	2.7
159.08113	3.0
161.05968	4.6
161.09679	1.6
163.07521	9.2
166.18330	1.9
167.07013	55.8
168.07278	1.6
174.06767	7.3
175.07553	8.3
177.05438	26.8
177.20197	1.6
179.07004	3.4
181.04929	26.9
181.06396	3.1
181.08519	2.1
185.06030	2.4
187.07541	3.0
187.72275	1.9
189.09093	20.8
191.07051	3.1
199.07552	2.3
201.09096	3.0
203.06931	1.9
209.08078	12.1
217.08626	8.9
219.08125	3.6
219.10107	24.4
221.08049	2.0
233.09665	2.1
249.09126	4.5
253.08328	2.1
261.09146	4.3
265.08209	2.0
277.03430	8.1
277.08438	4.3
278.09225	2.9
281.11575	1.9
289.08511	2.3
293.07916	2.3
293.11548	4.3
313.10690	2.6
321.11063	4.8
327.12338	1.8
339.12064	5.3
359.14764	5.8
371.14853	100.0
372.15140	3.9
382.60733	1.8
389.15860	18.8
521.20026	22.9
718.39313	2.3
721.99420	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56108	1.5
69.03416	2.5
69.44984	5.1
73.02909	5.0
85.02892	1.5
91.05489	2.3
95.04919	1.3
98.23469	3.0
107.90569	1.4
119.04970	2.0
121.02897	1.4
126.49670	1.3
129.32089	1.3
133.02864	1.6
137.05980	5.6
147.04420	3.3
150.06599	1.4
151.07526	2.0
153.01791	2.7
153.05469	2.2
161.05942	2.5
163.07597	1.9
167.07010	8.7
175.07619	3.1
177.09047	3.6
179.06900	1.4
181.04982	7.5
189.09027	2.1
191.06937	1.4
193.08594	3.5
219.10019	2.0
221.09753	1.7
222.06802	2.4
222.79599	1.8
223.07608	2.5
224.08243	3.0
235.07640	2.4
238.09828	1.6
249.09093	4.9
250.09924	1.7
252.07811	6.4
253.08563	4.8
253.12167	1.5
264.07864	2.4
265.08588	5.5
266.09296	3.3
267.10046	1.8
277.08521	2.2
280.07336	4.1
281.08179	2.7
281.11774	2.2
283.09677	2.4
284.10391	1.9
285.11148	2.2
293.11694	4.3
296.10385	4.2
298.08282	3.4
300.09784	6.7
311.12830	3.1
312.09644	1.8
313.10675	18.5
313.14337	12.3
321.11194	4.4
326.11261	1.7
327.12277	4.7
331.15396	4.2
339.08911	1.1
339.12238	33.7
340.12918	4.3
341.13889	6.7
343.15378	3.8
359.14871	56.7
360.15207	2.8
371.14862	100.0
372.15091	4.8
380.83691	1.7
627.52411	1.6
688.42267	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.01876	0.6
57.03429	1.1
65.03936	4.6
67.05495	1.0
69.03430	0.6
70.37246	1.6
73.02908	1.8
74.79482	0.7
79.05485	0.8
81.03412	1.5
82.04201	1.4
85.02899	1.3
91.05474	2.0
92.66260	0.7
93.03377	3.4
93.06995	0.8
95.04967	1.6
97.02882	0.9
98.22730	1.0
98.84840	0.6
99.11179	0.6
103.05457	5.1
105.06976	1.0
107.04931	1.8
109.06513	0.7
110.03637	4.8
111.04440	6.4
115.03989	0.9
119.04944	1.6
121.02868	4.6
121.06509	1.4
125.05971	7.5
129.06964	1.5
131.04924	10.6
135.07994	0.7
137.05956	15.4
138.03122	0.7
145.06456	1.3
147.04407	2.9
147.08073	0.8
149.02318	1.1
151.03905	1.3
151.07552	2.0
153.01834	5.5
153.05452	14.7
154.02133	1.4
157.06514	0.7
159.08076	1.0
161.05981	5.6
161.09587	2.0
162.06752	0.7
163.07523	15.1
165.06947	0.7
167.07057	4.3
167.50021	0.6
175.07521	2.4
177.05464	1.1
177.09142	1.3
178.07813	0.9
179.07060	3.0
179.08408	0.9
181.04991	0.7
181.06589	0.6
181.08589	1.8
182.07217	0.7
189.09084	4.0
191.46065	0.6
193.06624	0.8
195.08044	1.4
197.05968	0.7
197.09596	1.1
203.08549	0.8
205.06525	0.7
207.10098	4.4
210.06760	2.4
211.07526	1.4
212.08295	1.1
219.08054	1.2
219.09962	3.5
221.05931	1.4
221.09605	1.6
223.07487	2.3
224.08261	1.5
225.09131	2.3
227.07076	0.8
234.06795	1.2
235.07506	1.2
236.08124	1.0
237.09076	2.4
238.06197	1.8
238.09828	2.5
239.06985	1.9
239.10815	1.7
240.07787	6.2
241.08630	1.0
249.09117	2.5
249.11362	0.8
250.09802	1.0
251.07056	1.2
251.10568	0.9
252.07713	1.7
253.08553	11.2
253.12250	4.3
254.09274	2.8
255.06447	1.6
255.10175	3.8
257.08109	1.1
265.08527	1.9
266.05588	0.9
266.09378	2.2
267.10147	2.5
268.07230	1.3
269.08109	1.5
270.08844	2.0
271.13245	1.1
277.03497	0.8
277.08618	1.2
278.09286	0.8
279.10022	0.9
281.05423	0.7
281.08127	3.4
281.11694	4.7
282.08838	1.6
283.09491	6.0
284.10294	1.8
285.11230	3.1
285.14478	0.8
289.05377	0.9
294.08835	1.5
295.09552	2.5
297.11182	1.6
298.11929	1.7
299.12692	4.7
300.09723	0.9
303.15726	1.0
309.11221	4.8
310.11975	2.1
311.12610	1.5
313.10663	8.7
313.14374	4.5
317.13867	1.0
327.12225	20.9
328.12756	1.9
329.13815	1.4
331.15323	2.5
339.12268	2.8
341.13693	3.7
343.15417	2.3
355.15472	1.3
359.14847	100.0
360.15115	4.8
361.16394	6.8
371.14838	10.5
389.15894	1.9
597.20569	0.7
600.89349	0.7
736.35321	0.9
737.25848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.5
55.01867	13.4
55.05502	29.6
57.03430	21.4
59.04982	4.3
60.05618	2.8
61.02902	5.1
62.41015	2.3
67.05157	4.3
67.05496	66.1
69.03420	12.4
69.07058	16.2
71.01341	2.5
71.04989	12.1
79.05481	59.9
81.03404	100.0
81.07046	53.8
83.01296	3.8
83.04967	27.3
83.08609	37.6
85.02901	18.2
85.06522	4.8
91.05469	48.4
93.07036	42.8
95.04955	44.3
95.08580	27.8
97.02878	10.3
97.06510	10.5
97.10179	11.7
99.04446	3.1
99.08076	3.3
105.07013	35.7
107.04929	26.1
107.08585	25.0
109.02872	5.0
109.06532	13.6
109.10143	31.4
111.04404	13.0
111.08080	10.9
115.05431	2.3
117.06989	15.5
119.08559	34.3
121.06489	8.9
121.10146	15.6
123.04374	3.1
123.08047	10.5
125.09617	9.9
127.03884	6.0
129.07007	14.7
131.04893	6.4
131.08539	21.4
133.06441	4.9
133.10114	12.6
135.08066	5.0
135.11641	12.8
137.09573	4.6
139.11060	2.4
142.07680	4.0
143.08562	5.0
145.06517	7.3
145.10100	17.3
147.08031	4.6
147.11647	16.5
149.09613	7.6
153.12714	4.6
155.08510	5.1
155.10767	4.2
157.10072	12.2
159.11690	2.9
161.09560	4.8
163.11148	14.3
169.10127	4.3
171.11627	5.9
173.04489	3.5
173.09523	5.8
173.11647	7.7
175.11197	13.4
181.12204	3.5
184.07314	6.1
189.11241	3.9
191.10583	3.4
193.12244	33.2
205.12241	3.9
207.13718	4.2
209.11745	11.5
211.13283	25.1
219.13860	2.8
223.13274	18.4
227.12766	8.6
229.14322	44.4
243.13797	4.1
247.13295	5.6
249.14809	2.9
265.14282	3.1
266.42270	3.0
267.15897	70.5
273.18509	4.5
277.90024	3.0
281.17325	8.4
283.15390	23.0
285.16931	9.3
291.19574	5.6
297.16949	17.6
317.17450	3.8
335.18414	2.9
369.24188	2.7
403.24710	3.5
421.25842	42.1
422.26413	3.4
427.19528	6.1
429.21030	6.7
457.25656	6.6
461.29019	4.3
471.27148	9.1
475.26907	19.1
489.28430	34.6
493.27896	99.6
494.28076	9.1
507.29367	9.0
517.34106	2.9
548.62994	2.7
637.31982	19.5
737.36487	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	736.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.7
55.01859	8.7
55.05505	19.0
57.03434	17.7
57.06812	3.7
57.07074	41.5
61.02917	3.4
67.05499	36.9
67.05829	4.4
69.07053	19.2
69.16691	14.0
70.39359	2.3
71.01329	2.8
71.05005	3.0
71.07342	2.4
71.08624	29.0
72.01225	2.3
74.53720	2.2
76.95090	2.3
79.05487	27.1
81.03417	23.6
81.07050	32.9
81.61234	2.2
83.04961	14.3
83.08619	19.0
85.02895	9.9
85.06533	4.4
85.10173	22.0
86.09697	8.5
86.19771	2.6
89.06036	4.4
91.05463	16.6
93.07034	28.8
95.04969	10.4
95.08594	40.3
97.02892	12.4
97.06513	9.5
97.10155	9.8
105.07030	10.0
107.04942	16.3
107.08598	18.0
109.06526	5.6
109.10136	22.2
111.04431	9.4
111.08063	3.2
117.07028	8.8
119.08567	14.9
121.10127	16.4
123.08071	8.1
123.11688	4.6
124.99991	5.0
125.06002	2.7
125.09599	2.6
131.08572	7.6
133.10176	2.6
135.08104	3.5
135.11684	16.6
145.06413	2.6
145.10097	19.7
147.08044	4.0
149.09612	3.6
153.12746	18.1
163.11169	34.6
173.09618	9.2
181.12245	7.9
184.07336	31.9
186.25859	2.1
191.10675	13.9
196.12117	2.4
209.11667	25.3
227.12753	13.0
239.23656	3.6
257.24606	2.9
263.59006	2.4
265.14380	9.7
283.15381	42.2
301.16431	69.6
313.27341	100.0
314.27731	4.4
503.37067	7.9
521.38348	66.3
522.39093	5.1
539.39386	78.8
540.39661	4.1
553.38745	3.1
724.33917	2.4
761.96014	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	736.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05508	9.7
57.03424	9.2
57.07059	3.9
60.08154	5.0
67.05495	15.4
69.03420	2.4
69.07067	15.2
71.04984	1.4
71.07346	1.8
71.08630	1.6
77.23447	1.3
79.05481	11.1
81.03406	40.1
81.07043	18.5
83.04964	3.8
83.08611	15.6
86.09698	26.8
91.05472	10.0
93.07020	11.0
93.19639	1.3
95.04959	12.0
95.08589	12.0
97.02872	1.7
97.06542	3.6
97.10152	5.6
98.23521	2.2
98.98435	1.4
105.07043	7.1
107.04932	2.7
107.08572	7.5
107.96970	1.4
109.10152	5.4
111.04469	1.9
111.08072	3.7
111.11721	1.7
111.49595	1.1
117.07000	1.4
119.08575	7.3
121.10098	8.5
123.04467	1.7
123.08054	1.9
123.11668	2.1
124.99989	19.4
125.09620	1.2
129.06981	3.9
131.08574	4.3
133.10161	3.2
135.11696	3.7
143.08611	1.5
145.10034	1.3
147.11664	2.5
148.36543	1.1
149.09599	3.7
149.13258	2.4
157.10115	4.7
163.11241	1.7
166.79889	1.2
175.11165	4.4
184.07321	100.0
193.12227	9.5
221.23907	1.5
229.14261	1.5
267.15884	63.9
268.16385	1.5
273.15024	1.5
283.15295	1.5
311.25763	48.6
311.29370	2.6
328.93314	1.3
429.34000	1.6
503.37268	45.4
504.37439	2.9
521.38477	8.4
545.38318	2.2
636.70782	1.2
646.83649	1.2
686.44080	5.9
736.41968	3.7
737.37524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	13.8
56.03931	13.4
57.07065	34.8
67.05502	50.8
69.07042	16.0
69.40548	34.3
69.40910	74.9
70.18589	13.1
71.04992	29.2
71.08634	21.9
79.05481	26.7
81.07047	81.1
88.69854	15.4
90.24853	17.8
91.05491	23.3
95.08617	22.0
108.17294	15.2
111.20528	15.0
123.11711	31.2
127.63477	14.9
132.57516	19.8
159.11676	15.9
207.73701	15.0
212.99893	17.0
220.68668	18.8
281.86926	16.2
313.27383	17.1
332.46185	16.8
370.09048	16.4
428.73007	17.6
481.38736	100.0
539.43152	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01875	8.4
55.02093	1.6
55.05505	41.3
57.03428	17.2
61.02920	11.6
65.03927	4.5
66.90009	1.2
67.05495	54.2
69.03418	8.9
69.07060	15.2
71.04978	7.5
73.02905	3.2
73.06544	2.1
77.03900	1.4
79.05482	59.0
81.03409	48.4
81.07047	61.4
83.04980	17.2
83.08611	23.5
85.02900	27.7
85.06528	4.3
91.03929	3.5
91.05470	100.0
93.07032	46.7
95.04954	27.2
95.08598	38.9
97.02883	10.2
97.06522	11.9
97.10141	10.0
98.23415	3.8
99.08098	2.8
103.05454	3.8
105.04495	4.2
105.07018	76.8
106.07322	1.2
107.04955	12.0
107.08582	23.7
109.06509	16.0
109.10140	10.0
111.04417	2.7
111.08078	13.8
113.05978	2.6
115.05448	11.4
116.06221	6.0
117.07001	40.1
119.08565	46.8
121.06495	9.9
121.10114	16.1
122.03120	1.2
123.08054	14.9
123.11642	3.1
125.05931	1.4
125.09603	4.9
127.03911	1.8
128.04739	1.4
128.06201	25.7
129.06999	34.8
130.07764	10.6
131.04918	1.5
131.08551	96.9
133.06471	15.9
133.10110	28.2
135.08043	9.0
135.11722	5.9
137.05925	1.6
137.09598	5.4
139.11156	3.1
141.06982	15.1
141.09225	1.2
142.07767	10.2
143.08545	92.0
144.09152	1.4
145.06468	4.4
145.10107	86.8
146.10472	1.5
147.08031	17.5
147.11655	21.7
149.09598	10.9
149.13248	3.5
151.07504	4.8
151.11171	3.9
153.07011	1.9
154.07689	2.3
155.05965	1.9
155.08524	10.9
156.09341	2.0
157.10112	34.5
159.08008	5.9
159.11659	22.6
161.09607	18.1
161.13217	2.3
163.11154	6.8
165.07042	3.0
165.12782	4.3
167.08572	7.7
168.09416	1.9
169.10126	21.8
171.08031	3.2
171.11665	17.0
173.09590	5.6
173.13251	3.4
175.11163	21.4
177.12711	9.3
179.08525	1.9
180.09352	1.9
181.10077	13.6
183.11693	12.5
185.09601	3.6
185.13249	6.0
187.11127	3.3
189.12746	4.2
193.12215	40.3
193.13965	2.4
194.10835	1.4
194.12573	1.4
195.11667	23.3
197.13217	2.6
199.11159	3.4
199.14732	2.7
201.12758	3.6
203.12622	1.6
203.14368	1.8
209.13213	3.4
211.13248	50.2
213.12717	4.0
213.16454	1.2
227.17944	7.3
231.13817	1.4
237.16342	24.4
241.14261	3.1
245.18962	6.1
249.14813	1.5
255.17409	36.5
259.65363	1.5
267.15878	27.0
273.18454	91.9
274.18814	3.6
275.20059	2.1
285.16928	78.7
286.17136	2.0
291.19534	4.4
329.20993	8.4
347.22131	41.8
436.36948	1.2
447.29095	1.2
520.34674	1.6
539.33563	15.8
557.26215	2.0
557.34674	41.0
558.34814	3.3
575.34961	3.4
732.10577	1.3
737.36755	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	737.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
55.01875	9.1
55.05254	3.0
55.05506	39.7
57.03439	14.1
57.07067	2.7
59.04988	3.6
59.39248	1.6
61.02922	23.0
65.03931	3.9
66.34511	1.7
67.05497	67.0
67.05862	3.4
68.05830	1.8
69.03420	10.1
69.07056	23.7
71.01325	1.9
71.04980	12.7
73.02908	9.9
74.86608	1.5
77.03917	2.4
79.05482	51.8
80.05827	1.6
81.03407	23.3
81.07046	68.5
83.04971	8.3
83.08606	18.7
85.02897	18.4
85.06531	5.4
91.03957	10.4
91.05471	48.6
93.07036	54.2
95.04962	15.9
95.08598	42.6
97.02888	15.5
97.06528	8.9
97.10162	18.4
99.04451	3.5
99.08085	6.5
101.02380	2.4
105.04508	3.4
105.07021	41.0
107.04958	8.7
107.08575	29.6
108.11476	1.8
109.02907	3.9
109.06501	8.3
109.10143	20.7
111.04459	2.6
111.08088	5.0
113.05975	2.3
115.05473	3.9
116.06210	2.1
117.07015	24.6
119.08563	33.5
121.06521	6.6
121.10124	20.8
123.08077	6.5
123.11713	5.8
125.09605	16.8
127.03899	3.1
128.06229	5.7
129.06979	18.7
130.07805	2.7
131.08557	34.0
133.06511	4.0
133.10110	21.7
135.08029	8.3
135.11664	8.5
137.09633	3.4
139.11214	1.9
141.06987	10.8
142.07750	3.9
143.08557	20.9
144.09312	3.1
145.06514	3.3
145.10101	25.7
147.08035	5.9
147.11673	14.7
149.09616	6.5
149.13281	3.9
151.11168	4.4
152.09599	1.7
153.07007	2.1
153.09056	2.1
154.07726	2.2
154.58182	1.9
155.08508	15.2
156.09309	3.0
157.10089	26.6
159.08064	3.2
159.11679	21.2
161.09627	6.8
161.13269	4.7
163.11182	5.5
165.07004	3.1
167.08574	7.3
168.09323	2.3
169.10117	18.2
171.08026	3.1
171.11656	18.6
173.09619	4.0
173.11804	3.0
173.13261	14.6
175.11176	5.0
175.14847	3.1
177.12770	3.1
179.08505	1.9
181.10110	8.7
183.11642	13.2
185.09599	3.0
185.13248	14.1
187.11208	5.0
187.13152	1.5
187.14833	5.3
189.11192	7.8
189.12743	3.4
189.16339	2.0
191.10713	1.6
193.10161	3.1
193.12128	3.2
195.11687	13.3
197.13251	11.1
199.14835	6.4
201.12804	4.2
203.14319	2.0
205.10065	2.5
207.11693	3.8
209.13312	9.4
211.13083	2.4
211.14787	5.6
213.16499	1.9
215.14305	2.1
217.15970	2.3
221.13245	3.0
223.14799	4.5
225.16373	1.9
227.12677	11.8
231.17462	1.7
235.14821	2.9
237.16212	2.2
239.17911	2.4
245.13588	2.4
259.20593	3.0
263.18005	2.3
267.15845	4.4
271.20486	1.7
273.18384	3.2
275.20053	6.4
279.21127	2.0
283.15295	4.5
283.20490	3.9
285.22113	3.7
291.19507	5.1
297.21942	3.6
299.20331	3.2
299.23465	12.4
301.21573	3.2
307.20267	2.1
309.21918	2.5
311.20242	2.6
312.72281	1.7
315.22821	1.6
339.23260	2.4
341.24658	2.3
347.22028	2.6
349.23599	2.2
353.24387	2.8
357.24213	2.5
365.23334	2.0
403.24957	2.4
405.31622	2.7
415.29926	6.1
421.25626	5.1
433.30875	16.0
443.27945	5.5
449.28934	2.2
451.32120	16.1
461.28845	2.1
465.33646	3.5
469.33163	9.4
471.31915	1.9
489.33371	2.7
499.33850	3.2
507.34500	11.2
515.37329	2.6
517.35205	23.5
525.35699	77.5
526.35791	6.8
539.37036	5.6
543.36749	100.0
544.36914	8.2
557.39026	19.3
558.38306	3.4
567.36847	2.0
575.39508	35.9
576.40210	2.2
650.97406	1.7
669.39386	2.7
679.40448	6.0
687.40802	5.0
694.46228	2.1
705.41431	2.7
737.41895	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	738.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01872	13.3
55.05509	45.4
56.30082	1.2
57.03432	27.8
57.07068	1.9
57.21991	1.4
59.04699	2.1
59.04999	39.0
61.02925	5.2
65.03914	1.8
67.05501	77.0
68.05850	1.5
69.03428	8.2
69.07072	11.1
69.11198	6.2
69.11600	3.0
71.01358	1.9
71.04990	16.9
73.02940	2.4
79.05490	38.0
81.03416	28.7
81.07051	41.6
81.07501	2.9
83.01328	8.7
83.04974	16.0
83.08614	25.0
85.02905	15.0
85.06542	3.3
85.79851	1.3
87.04461	50.9
91.03946	2.5
91.04924	3.0
91.05474	27.9
93.07040	32.4
95.04961	17.7
95.08601	15.5
97.02884	8.9
97.06528	6.1
97.10159	17.0
99.04448	25.4
103.05502	1.6
105.07027	16.1
107.04952	12.9
107.08588	23.6
109.06532	6.8
109.10146	50.8
111.04429	6.8
111.08094	6.5
115.03931	1.6
117.07026	9.1
119.08577	17.3
121.06506	5.5
121.10130	13.8
123.04428	1.8
123.08056	11.0
125.05998	2.1
125.09614	16.7
129.07018	4.3
130.07796	3.2
131.08572	7.6
133.06525	1.6
133.10123	5.5
135.08057	3.1
135.11688	13.9
137.09633	4.9
145.06596	2.3
145.10120	17.2
147.08081	4.2
147.11623	2.3
149.09592	3.5
151.11200	2.1
153.12730	4.0
155.08537	1.6
155.10687	4.5
157.10132	3.6
159.11641	1.4
163.11179	30.7
163.12445	2.5
173.04352	1.7
173.09647	5.7
173.11699	17.4
173.61966	1.5
175.11156	2.0
181.12253	6.0
189.11234	2.1
191.10709	6.3
193.12280	6.5
199.13249	12.6
209.11685	13.1
211.13306	5.4
224.84784	1.3
227.12801	12.6
229.14326	55.7
241.14400	5.8
257.13797	1.8
265.14474	2.7
267.15891	16.7
275.20172	1.7
283.15384	93.9
284.15698	3.0
285.17010	2.2
308.17825	1.4
311.15005	5.5
315.17963	9.5
407.24258	6.6
425.25308	21.4
437.25305	100.0
438.25620	4.2
459.27460	12.0
477.28458	9.8
491.26187	2.7
523.29059	3.3
541.29736	3.9
738.36505	4.9
739.36041	3.0
740.36664	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
53.78158	1.8
53.95112	1.8
55.01865	8.8
55.05509	17.9
56.65501	1.7
57.03433	20.2
65.03918	3.0
67.05502	34.3
67.20643	1.5
69.03420	8.9
69.07065	8.6
70.55323	2.7
71.04977	6.7
73.02879	3.2
79.05489	51.2
81.03410	100.0
81.07049	40.3
83.04965	17.4
83.08614	26.2
85.02903	19.8
85.06521	3.5
85.26284	1.8
86.75129	1.8
87.15369	1.8
91.05472	42.5
93.07036	33.1
95.04962	41.4
95.08607	21.6
97.02894	14.3
97.06516	8.4
97.10150	6.8
98.07317	1.7
99.04435	4.5
99.08009	2.0
105.04499	1.7
105.07027	31.9
107.04941	50.3
107.08592	17.1
109.02881	11.9
109.06493	8.1
109.10140	9.5
111.04428	6.8
111.08072	12.6
113.06033	1.9
117.06996	8.0
119.04906	1.9
119.08574	26.2
121.06476	6.1
121.10129	11.6
123.04406	8.6
123.08055	5.4
123.11737	2.5
125.05971	2.1
125.09595	5.4
127.03905	2.1
129.05455	3.4
129.06979	10.3
131.04866	3.8
131.08569	14.5
133.06473	5.3
133.10106	18.1
135.07993	3.5
135.11676	24.3
137.05951	7.7
143.07031	2.2
143.08543	2.2
145.06430	5.2
145.10104	13.5
147.08014	7.3
147.11671	13.0
149.09627	10.5
151.07510	7.5
153.01788	3.1
153.09111	2.8
153.12686	3.0
155.08513	2.8
157.10130	13.2
161.09624	4.7
163.11134	15.1
165.08992	2.0
171.07986	4.4
173.09570	4.7
175.11166	16.3
180.11409	2.7
181.12209	3.1
189.09084	6.3
191.10614	10.4
193.12236	42.0
194.12552	2.6
205.12244	2.6
209.11757	2.7
211.13268	38.6
212.13605	2.2
223.13300	2.7
225.11232	7.6
226.12012	11.8
227.12715	9.2
229.14346	2.2
241.14265	3.3
247.13115	2.8
265.14331	26.3
267.15881	53.0
268.16165	2.4
281.13773	5.6
281.17276	2.6
282.14581	23.3
283.15366	13.0
284.15500	2.4
285.16937	32.9
286.17105	2.5
299.14844	3.3
407.24414	9.5
429.21603	2.3
431.24249	3.5
457.25778	24.5
459.27139	10.8
474.26199	9.5
475.26871	23.1
477.28357	17.6
491.25958	10.0
492.27145	39.7
493.27188	4.4
495.29379	6.4
509.27930	3.0
621.32623	2.6
738.33087	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59392	1.1
53.00294	2.0
53.03930	4.4
53.59800	1.0
54.42037	1.3
55.01865	3.4
55.05505	16.2
57.03435	14.3
59.04995	3.4
61.02913	1.7
65.03936	1.6
67.05502	19.6
69.03424	4.5
69.07045	4.6
70.67694	2.4
71.01353	1.4
71.04977	3.3
73.02898	1.5
75.18966	1.2
78.86251	1.2
79.05485	16.8
81.03410	75.3
81.07053	20.3
82.03751	1.1
83.04957	5.0
83.08616	22.6
85.02887	1.7
85.06544	1.2
91.05469	32.4
93.07035	16.1
95.04958	25.6
95.08593	7.0
97.02888	6.1
97.06516	5.5
97.10161	6.7
99.00805	13.8
103.05418	1.5
105.07014	20.0
107.04951	11.7
107.08582	10.3
109.02861	11.0
109.06503	7.7
109.10145	4.7
111.04401	3.4
111.08066	7.8
115.03922	1.7
115.05421	1.1
117.07007	4.6
119.08574	16.7
121.06478	11.5
121.10110	6.5
123.04424	3.0
123.08075	5.1
123.11655	1.6
125.09626	4.5
127.03914	2.6
128.06242	1.9
129.06993	8.4
131.08560	9.0
133.06480	3.2
133.10106	28.8
135.08052	1.8
135.11624	1.9
137.09583	1.5
139.07539	2.3
142.07761	1.5
143.08536	3.9
145.06410	1.3
145.10097	4.2
147.08022	3.5
147.11668	6.3
149.09602	3.9
151.11153	8.4
157.10109	8.8
161.09613	15.8
163.11136	5.0
171.08029	4.7
175.11186	7.7
178.10672	1.4
179.10635	9.1
189.09096	8.8
189.11169	3.8
193.12218	21.9
197.11804	1.5
207.10155	4.1
208.86288	1.6
211.13248	5.5
219.13760	8.1
225.11192	9.6
227.12721	1.9
251.38205	1.5
267.15887	100.0
268.16299	2.7
281.13800	5.1
283.15350	6.4
285.16895	5.7
299.14856	68.2
300.15295	2.0
367.22421	2.1
381.20737	1.9
385.23557	2.4
389.23386	1.5
417.23041	1.5
445.25858	9.2
459.27432	9.4
463.27219	6.0
473.25366	24.9
474.25494	1.7
477.28348	9.5
491.26321	82.0
492.26599	6.4
509.27139	6.6
533.26996	2.7
599.28766	1.4
612.50171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01872	4.5
55.05506	19.1
57.03429	16.4
57.77370	1.6
65.03928	3.8
67.05504	31.0
69.03427	6.6
69.07064	7.8
71.04989	6.7
73.02891	1.6
79.05490	32.2
81.03411	100.0
81.07048	25.8
83.04979	19.5
83.08607	27.4
85.02901	25.2
85.06499	1.7
91.05470	46.0
93.07032	23.5
95.04964	35.7
95.08599	12.9
97.02879	6.6
97.06526	6.6
97.10155	5.7
99.06201	1.7
99.08105	2.1
105.07021	29.0
107.04942	12.3
107.08621	7.7
107.19567	1.6
109.02945	2.7
109.06521	6.6
109.10167	2.6
111.04445	6.2
111.08080	11.9
112.85023	1.4
117.07049	4.1
119.08570	28.2
121.06534	3.4
121.10149	14.7
123.08079	2.8
125.09612	3.5
129.05489	1.7
129.07007	14.5
131.08553	19.3
133.06470	3.7
133.10124	16.7
135.11682	1.8
137.09656	2.6
142.07771	5.0
143.08667	2.2
145.06462	1.8
145.10136	2.9
147.08058	4.7
147.11688	24.2
149.09636	6.3
157.10114	23.2
163.11137	2.1
165.12787	5.6
171.08133	1.7
175.11171	15.8
189.11140	2.1
193.12225	47.8
193.45673	1.6
209.94389	1.8
211.13274	56.0
229.14359	3.1
233.69748	1.5
267.15891	64.3
285.16928	34.4
355.17584	1.9
367.22678	4.2
385.23798	5.5
411.20291	1.7
429.21362	7.8
433.25684	2.6
441.26450	3.1
459.27359	46.4
460.27274	2.5
477.28445	46.2
478.28882	2.6
479.48520	1.6
495.29453	59.4
496.29953	2.6
550.25165	1.8
621.32611	3.5
639.33594	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	738.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01864	10.4
55.05506	30.4
57.03429	22.9
57.07080	2.5
59.04987	6.2
61.02926	2.8
65.03924	4.6
67.05159	3.1
67.05500	55.2
68.05837	2.3
69.03411	10.2
69.07066	12.5
71.04978	11.5
72.83920	1.6
73.02888	1.8
73.12263	1.9
79.05487	42.8
80.05797	2.0
81.03407	100.0
81.07047	47.6
82.03754	2.0
82.07397	2.3
83.01302	3.2
83.04976	24.6
83.08613	31.4
85.02900	32.1
85.06546	3.6
85.57867	1.9
87.04458	5.3
91.05471	50.5
92.05782	1.8
93.07038	37.7
95.04346	2.4
95.04959	44.5
95.08607	19.2
96.05270	2.7
97.02888	9.6
97.06512	11.1
97.10159	11.2
98.23519	3.4
99.04450	4.3
103.05410	1.9
105.04459	1.8
105.07024	34.1
107.04945	23.5
107.08582	21.5
109.02882	3.4
109.06499	12.1
109.10152	18.5
111.04440	12.6
111.08065	14.6
113.05994	4.2
115.05470	3.8
117.07013	10.2
119.08563	32.7
120.08879	2.0
121.06490	6.9
121.10117	17.5
123.08028	8.2
123.11681	3.3
124.78790	1.7
125.05956	4.2
125.09624	9.7
127.03914	3.8
129.05466	7.3
129.06979	15.1
131.08556	20.8
133.06479	5.2
133.10104	15.2
135.08046	7.2
135.11658	12.5
137.09630	3.0
142.07748	4.7
143.08554	3.1
145.06468	2.0
145.10112	12.7
147.08018	6.6
147.11690	19.9
149.09599	12.7
151.11176	2.2
153.12773	5.6
157.08784	3.2
157.10110	20.7
161.09641	4.1
163.11154	15.5
165.12737	7.0
173.09572	3.7
173.11739	2.7
175.11159	19.9
181.12270	3.7
184.07307	2.1
189.11163	4.3
191.10701	6.8
193.12225	45.9
199.13304	6.8
209.11656	9.2
211.13266	42.9
211.14813	1.1
223.13307	8.5
227.12827	9.3
229.14265	12.2
235.80617	1.7
241.14288	9.1
259.61258	1.8
265.14328	4.6
267.15903	44.5
268.16339	3.4
283.15326	24.0
285.16916	28.2
297.17017	1.8
301.16525	11.9
315.18063	10.7
367.22510	3.5
385.23752	6.2
425.25284	2.5
429.20981	4.3
437.25323	14.9
441.26685	2.4
452.65924	2.3
459.27313	23.1
469.27890	3.2
475.26740	4.9
477.28497	46.2
478.28738	6.4
491.26248	3.9
492.27115	6.6
495.29480	97.3
496.29703	6.3
509.27481	7.2
523.28394	2.1
540.33777	4.0
541.30078	11.2
558.34222	2.0
621.32715	3.9
636.25366	1.8
639.33673	16.4
738.37152	2.1
739.34863	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.6
55.16027	6.8
56.90325	6.9
58.82444	8.4
59.36197	8.3
67.05499	53.1
69.07067	12.1
69.19476	49.9
70.91147	7.8
79.05487	50.6
81.07055	43.2
83.08627	8.8
83.40598	7.4
89.20203	8.0
91.05482	34.8
93.07051	54.5
95.04963	10.9
95.08611	22.5
98.23273	38.0
105.07025	24.1
107.08569	17.7
119.08570	14.0
121.10201	12.9
121.62875	6.7
122.71951	7.2
129.06993	8.5
133.10185	8.7
145.10170	10.5
147.11615	12.0
193.49200	7.5
207.13860	11.8
247.37856	8.0
251.45975	8.4
281.17493	28.8
315.30786	7.1
335.25778	34.2
448.26825	9.4
519.96979	9.3
541.38806	100.0
708.44458	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	738.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60997	0.2
56.05032	1.0
57.07068	0.6
58.06597	0.5
59.07401	0.2
60.08163	9.8
67.05505	0.4
69.07084	0.4
69.50124	0.2
69.50452	0.8
70.06602	0.2
71.07372	5.4
71.08613	0.5
79.05479	0.4
81.03410	1.2
81.07049	0.6
83.08636	0.2
85.10175	0.3
86.09701	43.6
87.10046	0.4
90.08813	0.2
91.05479	0.4
95.04946	0.6
95.08620	0.3
95.92968	0.2
98.98460	5.9
104.10738	3.2
105.07072	0.3
110.85823	0.2
124.99997	33.8
133.93398	0.2
143.01091	0.4
157.10117	0.2
184.07330	100.0
185.07706	1.0
193.12202	0.2
267.15933	1.1
313.27362	1.4
346.86298	0.2
448.16376	0.2
505.39041	1.1
688.34863	0.4
688.45361	6.3
689.44812	0.6
700.37885	0.2
737.70972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08418	2.3
69.31761	10.0
73.83392	2.1
78.42562	2.0
96.24557	2.2
118.98363	2.4
225.48753	2.5
238.25493	2.1
283.26535	2.2
313.42648	2.7
483.20016	3.0
739.21393	100.0
740.21802	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	740.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01872	15.1
55.05508	27.6
57.03433	24.7
59.04967	2.7
61.02919	2.2
65.03931	2.0
67.05500	36.2
69.03421	5.6
69.07067	9.9
71.01351	2.2
71.04993	5.2
72.35818	1.6
73.02899	3.5
77.03999	1.6
79.05489	34.9
80.05831	1.9
81.03410	100.0
81.07049	30.3
82.03737	1.8
82.04197	3.7
83.04977	18.3
83.08614	22.5
85.02892	6.3
85.06530	3.1
91.05466	33.3
93.07030	21.8
95.04955	35.3
95.08581	15.1
96.05253	1.6
97.02898	12.3
97.06522	9.4
97.10166	12.9
98.07310	3.8
99.04482	2.3
101.06001	1.5
105.07021	20.7
106.07352	1.8
107.04964	15.7
107.08585	15.3
109.02879	4.8
109.06512	7.2
109.10139	11.0
111.04437	10.8
111.08079	11.8
113.85527	1.7
116.04744	8.3
117.05444	2.3
117.06998	7.5
119.08569	17.4
121.02885	2.3
121.06507	7.6
121.10156	11.0
121.13671	1.5
122.10435	1.9
123.08073	4.9
123.11665	1.8
125.02342	3.4
125.09628	11.8
127.03933	6.9
129.05470	19.8
129.06990	11.3
131.08557	14.8
133.06470	3.4
133.10132	8.2
135.04440	1.9
135.08093	3.5
135.11702	9.9
137.09593	3.7
142.07730	1.8
143.03328	4.0
143.06996	5.2
145.10121	7.4
147.04318	2.4
147.08064	5.9
147.11696	10.8
149.09619	5.9
153.01808	68.9
153.02847	3.0
153.12727	17.5
157.08585	10.2
157.10051	12.4
159.08038	1.8
161.13275	1.9
163.11156	19.2
171.02859	13.3
171.10172	3.3
173.09598	3.2
173.11746	3.1
173.13199	1.9
175.11163	11.1
181.12219	15.8
183.11684	4.4
189.11209	11.1
191.10643	7.0
193.12233	34.4
194.12527	2.0
196.80836	1.4
199.13287	5.7
201.12737	2.4
209.11748	6.6
211.13284	10.5
212.13628	3.2
219.13757	3.5
227.12720	34.1
229.12300	3.0
229.14262	11.6
231.13675	2.1
247.13254	24.8
249.14844	4.2
255.16057	2.4
259.13428	1.8
267.15881	79.5
268.16245	4.9
269.16760	2.2
283.15430	16.4
284.47601	1.9
285.16974	5.0
288.73538	1.6
297.06058	5.9
301.16489	33.6
321.16925	8.3
339.17905	2.6
383.22153	3.8
401.23175	2.3
457.25662	3.1
458.26541	2.1
459.27084	3.8
460.27414	2.2
461.28104	2.1
467.08105	3.8
475.26871	16.7
476.27356	3.0
479.28949	2.9
493.27960	32.5
494.27847	2.3
496.29800	2.1
497.29999	3.1
525.30579	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66825	1.2
53.03933	5.3
55.01869	14.3
55.05508	44.0
57.03432	31.1
57.07068	2.3
59.04997	28.8
61.02913	3.0
65.03925	3.8
67.05498	100.0
68.05817	2.7
69.03406	9.5
69.07061	15.7
71.01332	2.3
71.04987	17.2
73.02913	1.8
74.97490	1.3
79.05041	3.2
79.05486	52.6
81.03411	99.8
81.07047	51.5
83.04975	28.5
83.08612	36.5
85.02897	25.4
85.06529	5.8
87.04462	31.8
91.05471	57.4
91.06052	1.6
93.07034	38.9
94.48668	1.4
95.04963	39.5
95.08601	19.6
96.05278	1.4
96.08955	1.9
97.02879	10.3
97.06520	9.2
97.10152	17.7
98.23456	2.3
99.04446	16.5
99.08097	2.4
105.04508	1.6
105.07023	29.9
107.04940	21.6
107.08585	22.1
109.02887	1.8
109.06510	10.3
109.09411	3.2
109.10151	57.9
110.10440	2.3
111.04428	11.5
111.08079	17.7
113.06026	2.3
115.05422	1.9
116.04744	1.7
117.06960	6.9
119.08568	29.3
121.02831	4.0
121.06487	6.2
121.10121	16.3
123.04418	2.0
123.08064	4.9
123.11707	2.8
125.05956	1.5
125.09615	13.9
127.03896	2.2
128.06207	1.6
128.28906	1.4
129.05467	3.9
129.06993	15.8
131.04893	1.7
131.08548	22.1
133.06487	4.9
133.10117	12.7
135.04359	1.6
135.08086	3.8
135.11652	10.0
135.98393	1.3
137.09607	5.2
141.06999	1.3
142.07770	3.1
143.06969	1.9
143.10637	2.1
145.06511	1.6
145.10083	9.4
147.04305	1.6
147.08003	9.3
147.11671	16.0
149.09602	10.5
151.11026	1.6
153.01816	11.7
153.12747	16.8
155.08574	2.3
155.10652	4.8
156.31235	1.3
157.10120	18.5
157.12135	1.5
161.09657	2.0
163.11179	21.2
165.12819	1.9
173.09593	3.5
173.11711	17.4
175.11168	17.1
181.12204	10.7
189.11206	3.1
191.10674	8.6
193.12231	57.0
194.12395	2.3
199.13277	10.8
209.11746	6.8
211.13272	64.5
217.14238	1.9
219.13841	2.2
223.13359	2.9
227.12772	25.4
229.14330	67.2
230.14722	1.7
241.14345	4.1
247.13274	10.2
249.14848	4.7
265.14340	1.9
267.15878	61.9
268.16254	3.7
273.14890	1.7
283.15390	20.7
284.15378	1.7
285.16943	40.6
286.17160	1.8
301.16400	5.7
315.17938	7.7
321.16763	1.8
383.22092	5.5
391.24448	1.7
401.23380	2.9
409.25766	4.8
421.25775	23.1
422.26700	1.9
427.26855	5.4
439.26895	70.6
440.27771	3.3
457.25806	6.6
457.33270	1.8
459.27264	2.0
461.28708	2.1
475.26846	29.8
476.27515	2.5
490.63312	1.7
493.27905	11.2
494.28110	1.8
525.30713	8.4
543.31622	2.2
741.34717	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01865	1.1
55.05500	6.7
57.03430	5.3
61.02925	1.0
65.03905	0.9
67.05495	22.3
69.03415	1.8
69.07057	3.2
70.08523	1.2
71.04984	9.4
77.94232	0.6
79.05477	12.6
81.03407	20.2
81.07045	30.0
83.04961	2.8
83.08610	7.2
85.02876	1.3
85.06535	2.9
91.05466	13.3
92.05849	0.6
93.07037	10.5
95.04953	13.5
95.08588	7.2
97.02869	1.6
97.06552	3.0
97.10154	4.3
99.08022	0.6
100.84090	0.5
105.04544	0.9
105.07014	8.7
107.04943	7.5
107.08581	5.6
108.60703	0.6
109.06503	6.4
109.10133	3.7
111.08060	2.5
117.07008	4.3
119.05037	0.6
119.08562	6.7
121.06492	5.7
121.10136	3.8
123.08044	1.4
123.11703	4.5
125.09581	2.3
129.07005	4.7
131.04904	0.6
131.08545	8.1
133.06480	2.2
133.10121	8.5
135.08038	2.0
135.11661	2.5
135.55052	0.6
137.09700	0.7
142.07716	0.6
143.08546	2.3
145.06465	1.6
145.10080	2.7
147.08044	1.9
147.11678	2.1
149.09616	2.3
149.13246	1.0
150.31566	0.6
151.11174	2.7
153.01820	1.8
153.09052	0.6
155.08545	1.3
157.10010	3.5
159.07964	0.7
159.11661	2.2
161.09683	1.5
163.11157	1.8
165.12740	0.9
169.10121	0.8
171.08064	0.7
171.11725	2.2
173.09636	1.2
173.13248	2.0
175.11148	3.3
177.12695	0.9
183.13766	0.9
184.07446	0.7
185.13158	0.6
187.13203	1.2
189.09090	0.6
191.14302	1.2
193.12201	3.5
203.14449	0.6
205.12178	0.7
211.11224	0.8
211.13165	0.9
213.12807	0.9
219.13754	3.5
231.13933	0.9
233.15233	0.7
237.14774	0.7
245.15477	0.9
249.14771	0.8
259.17044	0.8
267.15915	8.9
269.17413	1.9
271.16812	0.7
273.18314	0.9
275.16528	0.8
301.14059	0.7
301.20139	3.2
307.20404	0.8
325.21475	1.3
343.22623	5.3
361.23502	0.8
369.24539	3.4
387.25159	1.4
417.26187	3.2
425.26721	1.8
435.27356	14.4
436.27502	0.9
443.27808	8.0
461.28915	100.0
462.29236	6.6
475.30551	2.2
477.28174	0.8
493.31534	4.7
665.53406	0.8
740.38019	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
55.82521	0.1
56.05032	1.0
58.06631	0.5
60.08160	7.1
60.08469	0.4
61.02893	0.1
67.05499	1.1
68.05801	0.1
69.07059	0.4
71.04977	0.2
71.07370	4.0
72.27608	0.2
76.30624	0.2
79.05486	0.9
79.95242	0.1
81.03439	0.3
81.07052	1.1
83.04979	0.3
83.08592	0.2
86.09699	32.8
87.10054	0.3
91.05482	1.3
93.07031	0.9
94.07372	0.1
95.01161	0.1
95.04970	0.4
95.08614	0.4
97.06489	0.2
98.22698	0.6
98.98457	3.4
104.10741	2.8
105.07012	0.9
107.08578	0.5
109.10152	0.3
113.61761	0.2
117.07000	0.4
119.08560	0.6
121.10109	0.2
124.99992	22.5
125.27219	0.2
129.06989	0.2
131.08525	0.3
133.10112	0.7
135.11636	0.3
143.01102	0.2
145.10155	0.3
147.11739	0.3
149.13235	0.2
151.11221	0.2
153.76952	0.2
161.13272	0.2
181.59880	0.2
184.07324	100.0
185.07689	0.9
253.14267	0.2
257.98657	0.2
283.15503	0.2
284.15665	0.2
412.64526	0.2
520.36969	0.2
543.35718	0.5
705.40167	0.2
722.43884	6.3
723.43195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.9
55.05509	15.6
55.81141	2.1
57.03428	8.9
60.53903	2.6
67.05495	41.9
69.03416	2.6
69.07056	11.0
70.61617	3.8
74.02730	2.0
79.05049	2.9
79.05482	31.0
81.03400	3.2
81.07047	41.6
83.04964	2.5
83.08595	7.7
91.05457	15.6
93.07034	45.1
95.04951	8.5
95.08594	46.4
97.06466	2.4
98.23412	2.7
105.07001	12.8
107.04978	4.8
107.08575	29.9
109.06529	3.1
109.10161	11.4
117.07024	10.2
119.08562	9.1
121.06501	3.6
121.10116	18.6
123.11687	2.5
131.08496	2.3
133.10109	5.2
135.11679	35.6
137.13249	2.6
137.87758	2.1
145.10112	23.0
149.13181	2.8
153.93352	2.4
159.11659	3.6
163.11151	45.1
181.12270	5.8
194.38263	2.1
209.12347	2.1
227.12753	48.4
261.22168	8.0
283.15338	54.3
283.18286	4.1
335.25757	100.0
336.26099	5.7
360.24564	2.2
543.28491	4.4
543.36725	80.7
544.36652	3.8
607.99359	2.1
740.42395	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	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.2
55.05511	25.2
57.03434	16.3
57.07066	4.0
61.02914	9.9
61.89486	2.5
65.03928	3.0
67.05501	64.7
69.07063	15.8
69.18435	14.8
71.04974	5.8
74.59962	2.9
79.05489	50.9
81.03407	8.3
81.07048	61.5
83.01327	11.9
83.04969	11.2
83.08612	20.6
85.02893	10.3
85.06511	3.1
91.05461	33.1
93.07037	62.8
95.04970	15.6
95.08595	47.1
95.09153	5.4
97.02852	6.8
97.06512	6.6
97.10155	4.3
101.85938	3.1
105.07014	26.7
107.04926	7.2
107.08591	33.3
109.06505	12.2
109.10138	17.7
111.04447	4.4
111.08066	4.0
117.07002	12.9
119.08570	19.1
121.06502	3.6
121.10132	23.8
123.08051	9.0
123.11684	6.6
131.08554	10.9
133.10114	16.4
135.11667	21.4
145.10075	16.3
147.11638	7.4
149.13261	7.0
159.11678	6.2
161.13214	3.9
163.11143	21.0
173.13232	6.1
186.35562	3.4
209.11726	4.5
211.13123	3.0
227.12730	14.3
243.21094	8.4
261.22153	17.4
283.15363	96.1
284.15613	4.1
299.23761	3.9
305.41031	3.0
317.24667	6.3
335.25790	100.0
451.32364	4.5
525.35736	5.3
543.36768	72.9
544.37134	7.8
740.42572	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	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
55.05510	16.0
57.03432	9.1
61.02925	5.0
64.83409	3.0
67.05495	31.4
68.57050	2.9
69.03481	3.0
69.07067	10.2
79.05488	36.5
81.03428	9.6
81.07045	37.0
83.01349	3.6
83.04958	7.1
83.08624	10.0
84.82439	2.7
85.02915	5.3
91.05459	16.8
93.07034	36.0
95.04949	8.3
95.08596	28.7
97.06529	5.2
105.07018	15.0
107.04981	7.0
107.08588	25.7
109.06528	4.0
109.10139	13.9
117.07019	8.4
119.08572	11.1
121.10156	8.8
123.08050	4.4
125.09641	3.5
131.08557	6.6
133.10126	6.0
135.08044	2.9
135.11671	12.4
145.10107	8.3
161.13197	3.0
163.11151	16.5
163.14885	3.5
173.09593	4.7
181.12294	3.7
191.10670	3.3
209.11638	6.0
227.12746	9.4
241.40175	3.2
243.21480	3.8
261.22189	12.3
283.15375	100.0
306.27841	3.2
317.24814	2.9
335.25787	64.8
543.36743	45.5
568.02783	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01868	5.8
55.05267	2.9
55.05509	34.2
57.03424	22.2
57.07054	4.9
61.02918	7.8
62.30916	2.6
65.03941	4.9
67.05495	78.8
69.03415	9.3
69.07070	21.4
70.35084	2.7
71.04978	7.7
73.02922	3.2
79.03345	2.6
79.05486	78.7
81.03415	55.0
81.07048	73.3
83.04964	15.4
83.08603	28.4
85.02898	31.5
85.06518	4.5
86.09682	17.7
90.90108	2.5
91.05467	95.4
92.73990	2.3
93.07039	82.1
93.07609	5.6
94.60378	2.4
95.04948	34.2
95.08597	40.6
97.02891	6.9
97.06534	9.0
97.10167	9.6
99.08071	3.3
105.04490	4.6
105.07021	100.0
107.04952	9.9
107.08582	43.1
109.06530	11.5
109.10156	22.1
111.04398	2.6
111.08076	12.5
115.05471	3.7
117.07011	25.6
119.08565	85.8
121.06483	3.3
121.10128	33.4
123.08092	6.6
123.11682	3.7
125.00008	7.4
125.09592	6.3
128.06206	3.9
129.06998	27.8
131.08563	45.0
132.18311	2.7
133.06482	4.0
133.10117	61.4
135.08054	4.0
135.11688	22.0
137.09659	5.2
141.06970	4.4
142.07747	4.8
143.08554	15.8
145.10100	24.6
147.07994	5.1
147.11664	58.2
149.09631	6.6
149.13243	9.5
155.08516	3.6
157.10123	26.4
159.11694	22.4
161.13260	25.3
161.79947	2.7
163.11198	3.5
163.14731	3.8
164.04900	2.6
169.10107	9.8
171.11649	17.8
173.13249	20.2
175.11176	12.8
175.14812	10.0
177.12611	2.6
183.11691	4.3
184.07321	51.9
185.13211	16.7
187.14731	3.2
193.12224	42.6
195.11641	6.5
197.13281	7.1
199.14836	9.6
200.65265	2.5
211.13243	56.4
211.15073	3.7
213.16364	4.6
214.57684	2.4
229.14293	4.7
231.21104	6.6
241.19519	32.8
257.18985	4.6
259.20551	89.5
260.20779	3.1
267.15909	21.5
275.20029	4.3
283.15231	5.1
285.16937	56.0
297.64197	2.6
299.23557	3.8
313.22095	3.3
315.23047	13.7
333.24194	87.2
334.24692	3.6
433.30966	8.7
451.32111	9.0
469.32800	8.1
515.37299	3.2
525.35742	33.1
543.36798	81.2
544.37177	4.7
561.37762	5.9
612.30475	6.2
694.37793	4.8
724.56268	2.9
740.38947	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	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01867	6.9
55.05253	0.8
55.05505	9.5
57.03434	4.5
57.07072	1.0
59.04985	0.5
65.03922	2.2
67.05499	30.6
69.03421	0.9
69.07062	17.2
71.04982	2.6
77.03923	0.9
77.73528	0.5
79.05486	20.8
81.03416	4.8
81.07049	39.4
83.04977	4.0
83.08602	6.5
85.02895	0.8
85.06538	2.3
86.09708	0.6
91.05038	0.4
91.05470	26.0
93.07035	27.1
95.01325	3.8
95.04949	5.7
95.08591	17.0
96.59572	0.5
97.02919	0.6
97.06519	17.0
97.10155	1.4
99.04468	0.7
99.08074	1.5
99.96679	0.4
105.04545	0.9
105.07019	36.7
107.04945	8.2
107.08582	13.4
109.06521	2.1
109.10138	5.2
111.04443	0.7
111.08090	2.4
115.05438	0.8
117.07008	8.1
119.08564	17.0
119.09420	0.9
121.06490	2.0
121.10134	7.4
123.04432	0.7
123.08068	1.6
123.11700	1.4
125.09594	1.2
128.06223	0.6
129.07022	1.7
131.08562	12.1
133.06503	0.8
133.10114	20.1
134.10506	0.5
135.08061	1.6
135.11674	5.0
137.09570	0.7
139.07501	0.9
139.11200	0.6
141.06943	1.1
143.08588	1.5
145.06471	1.2
145.10112	7.2
147.08153	0.5
147.11653	7.6
149.09596	3.3
149.13254	9.2
151.11185	0.8
155.08516	0.9
157.10139	1.6
159.11685	8.5
161.09566	0.7
161.13274	2.4
163.11169	2.1
165.09126	1.1
169.10182	1.3
171.11690	1.0
173.13278	1.9
175.11214	0.7
176.77979	0.6
177.12814	2.9
179.14287	5.9
183.11687	0.9
184.07376	1.6
187.11192	1.3
195.13750	2.5
197.13286	1.3
205.12225	0.6
219.17462	1.0
235.08372	0.5
239.18030	0.9
247.20583	1.6
251.16435	0.7
252.08189	0.5
257.16705	0.5
257.18948	3.0
269.17432	31.1
275.20023	34.7
276.20435	1.2
279.15918	1.8
283.15442	1.5
293.21124	2.1
335.25812	0.7
349.23676	12.6
350.23914	1.0
413.21823	0.5
463.08466	0.7
525.35687	1.8
543.36761	100.0
544.37000	7.1
561.37610	1.8
626.16016	0.5
696.93524	0.5
740.43579	1.1
741.42450	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01856	5.0
55.05261	1.1
55.05507	14.5
57.03430	4.2
62.68539	0.8
65.03938	1.7
65.23242	0.9
67.05497	29.0
69.03420	1.3
69.07057	16.7
70.66493	1.3
71.04982	3.2
77.42936	0.8
79.05115	0.6
79.05485	25.5
81.03394	4.5
81.07047	43.3
83.04964	5.5
83.08617	8.3
85.02892	1.7
85.06541	1.7
86.09689	2.0
91.05467	27.1
92.05777	0.9
93.07037	27.3
95.01318	3.7
95.04971	7.6
95.08595	17.8
97.06525	9.0
97.10153	1.6
99.08095	1.5
103.03257	0.9
105.04516	1.4
105.07020	33.7
107.04955	7.5
107.08588	14.7
109.06506	2.7
109.10140	5.0
111.08064	3.0
115.05421	0.8
117.07010	9.9
117.47980	0.9
119.08571	19.4
121.06493	2.6
121.10127	8.2
123.04317	0.9
123.08059	1.4
123.11707	2.4
125.09647	1.1
129.06995	2.2
131.08569	12.0
133.10120	18.2
135.08076	2.2
135.11679	6.0
137.09621	0.9
143.08519	2.1
145.06499	1.4
145.10118	8.0
147.07971	1.1
147.11665	7.0
149.09627	3.2
149.13232	6.2
151.11194	1.0
155.08470	1.3
157.10068	1.6
159.11685	5.4
161.13223	1.8
163.11163	2.5
171.11658	1.8
173.13150	1.1
177.12715	1.9
179.14302	5.5
183.11684	1.2
184.07333	6.4
187.11092	1.2
195.13753	4.6
227.12720	1.1
241.77557	0.9
251.16550	1.4
257.19049	2.1
269.17426	27.5
275.20020	23.9
275.22943	1.7
276.20370	1.1
279.15640	1.2
283.15387	3.6
289.17960	0.9
293.20996	1.1
335.25766	2.4
337.23779	1.2
349.23676	14.2
411.83588	0.9
525.35205	1.1
543.36761	100.0
544.36945	6.1
561.37592	1.5
687.40985	1.3
701.69281	1.0
740.42719	1.6
741.43195	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	741.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75494	1.5
70.94202	0.5
94.37910	0.5
95.01097	1.2
98.22939	0.7
98.23440	0.4
109.10165	0.5
113.02132	1.3
118.91064	0.5
127.03719	1.0
137.02110	0.8
137.06006	0.7
153.01840	0.7
155.03151	6.4
155.04295	0.5
176.09937	0.5
177.72264	0.4
185.05766	0.5
285.18527	0.5
292.56143	0.4
341.70261	0.5
365.13336	0.5
367.11670	1.2
379.11505	2.1
381.13379	1.0
382.13937	2.4
383.14651	1.0
394.13934	3.2
397.12488	5.1
411.13959	1.0
412.14886	7.3
413.15631	1.6
741.27191	100.0
742.27563	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	741.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87605	0.4
58.00759	0.5
59.49038	0.5
63.97033	0.4
71.30658	0.4
79.11039	0.5
83.01062	0.5
85.02898	0.6
95.01096	1.2
98.22585	0.5
102.43002	0.4
108.79755	0.4
113.02118	1.5
127.03675	0.9
129.08182	0.4
137.02138	0.5
137.05934	0.4
153.01884	0.6
155.03175	4.8
167.07004	0.6
171.02711	0.7
185.05746	0.7
203.06729	0.6
265.90942	0.4
351.10751	0.6
363.11948	1.2
367.11603	1.2
379.11523	1.7
381.13156	1.5
382.13788	2.5
394.13654	3.0
397.12503	5.8
411.13931	0.8
412.14828	6.1
413.15579	1.0
649.65204	0.6
711.25757	0.6
741.27185	100.0
742.27405	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	741.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.7
59.50190	0.5
59.90416	0.5
60.27773	0.5
60.73371	0.6
61.61411	0.5
64.34962	0.5
67.05489	1.0
67.26959	0.5
69.07051	0.7
69.46440	1.3
69.46828	1.0
79.05511	1.4
81.03402	1.0
81.07049	2.5
83.79882	0.5
84.88957	0.5
85.02918	0.8
86.09689	0.7
86.41006	0.5
91.05511	1.6
93.07044	1.3
98.97578	0.7
105.07018	1.1
107.08562	0.8
109.10169	0.9
115.75627	0.6
125.00040	0.6
130.34096	0.5
131.08588	0.9
135.11671	0.6
149.01273	0.6
158.99770	0.6
184.07372	2.2
225.10056	0.5
267.09042	1.1
285.10074	1.1
299.11642	0.7
446.29218	0.7
462.28809	0.7
481.18094	1.3
485.17029	1.2
499.18640	1.3
579.62744	0.6
663.33472	3.1
741.34436	100.0
742.34509	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	741.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01859	0.8
55.05515	1.1
57.03435	1.7
59.04992	0.6
61.02918	4.0
64.13067	0.5
66.61625	0.4
67.05496	5.4
69.03425	3.5
69.07074	1.4
69.17992	3.1
71.01344	0.6
71.04987	3.7
73.02908	3.4
79.05497	4.1
81.03407	5.5
81.07050	7.1
82.07394	0.7
83.04987	1.5
83.08627	1.5
85.02902	6.2
85.06613	0.5
91.03932	2.9
91.05476	4.5
93.07031	4.0
95.04960	3.7
95.08607	1.8
97.02895	5.2
97.06535	0.8
99.04442	1.4
101.02387	1.4
105.07002	2.6
107.04977	1.4
107.08612	1.7
109.02879	0.9
109.06505	0.6
109.10162	1.8
111.04488	0.7
117.07011	0.6
119.08593	2.6
121.10166	2.2
123.08053	0.7
125.47069	0.5
127.03937	1.5
129.05464	0.6
129.06990	1.2
131.08591	1.3
133.06540	0.5
133.10135	1.5
135.08087	0.6
135.11693	1.2
137.30540	0.7
145.10152	1.4
147.08023	0.6
147.11714	2.1
149.09598	0.6
151.11159	0.5
157.10162	0.9
163.11195	1.3
165.12782	0.5
190.42035	0.5
193.12286	1.8
201.07468	0.5
243.08401	3.0
248.29347	0.6
250.76933	0.5
265.14114	0.6
267.16077	1.1
268.16229	0.7
283.15350	1.4
295.15320	0.6
375.43835	0.6
389.76529	0.5
399.32718	0.6
415.87747	0.6
444.28653	0.7
461.28955	2.4
462.29437	4.1
465.21136	1.1
467.18777	2.5
469.20465	1.1
481.20480	2.4
483.22543	0.8
494.53394	0.5
501.23065	4.6
513.23108	0.8
515.24976	2.3
709.33215	0.8
741.36603	100.0
742.36877	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	741.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
67.05511	7.6
69.63159	1.3
69.77287	1.2
79.05503	2.6
81.03436	1.3
81.07059	6.0
83.08634	1.8
91.05489	2.2
93.07063	4.5
95.08553	3.0
104.75239	1.4
107.08607	3.5
108.22580	1.5
109.60310	1.7
119.08569	1.8
126.29876	1.3
135.11745	1.7
144.13794	1.2
149.13318	1.6
161.77939	1.3
201.75693	1.5
250.14525	1.5
261.22183	1.6
269.17480	3.9
270.17975	2.4
283.15335	2.1
291.83960	1.5
335.25903	2.4
336.26215	2.6
530.39008	4.3
657.21069	1.6
741.41858	100.0
742.41986	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	742.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.4
55.05503	21.6
57.03432	17.2
59.04995	1.8
65.03909	1.5
67.05497	30.2
69.03430	4.8
69.07065	9.2
71.04642	1.6
71.04976	8.0
79.05488	33.1
81.03409	68.5
81.07047	31.2
81.07502	2.4
83.04967	5.5
83.08606	20.3
85.02892	3.2
85.06532	1.6
91.05471	28.5
93.07028	27.1
95.04957	31.2
95.08587	12.6
95.09070	1.4
97.02895	2.6
97.06519	3.9
97.10165	17.8
98.23479	3.6
105.07024	19.6
107.04943	22.5
107.08588	18.9
109.06506	19.7
109.10150	7.9
111.04395	3.1
111.08054	8.6
115.05442	1.4
117.07022	7.1
119.08563	16.3
121.06502	17.6
121.10120	15.7
123.08063	6.4
125.05994	1.6
125.09600	17.5
128.06195	1.7
129.07005	11.8
129.83476	1.5
131.04942	2.7
131.08551	15.5
133.06483	7.1
133.10089	8.3
135.08051	9.1
135.11682	3.8
137.09657	2.6
139.11168	3.2
141.06999	1.7
142.07802	2.4
143.08549	3.8
145.06473	8.0
145.10081	8.9
147.08029	6.1
147.11681	8.9
149.06001	2.2
149.09615	5.6
153.09059	3.5
155.08679	2.7
157.06476	3.3
157.10103	10.6
159.08046	2.8
159.11659	1.8
161.09561	2.4
161.13329	1.8
163.11159	6.9
165.12767	2.0
166.78622	1.6
167.10670	1.9
169.10110	2.0
171.08069	2.7
171.10255	1.9
171.11671	2.6
173.09615	2.0
173.13271	4.0
175.11186	8.9
177.12706	2.0
181.10083	2.2
185.13361	1.4
187.14888	1.5
189.11217	7.0
189.12712	2.3
191.10785	1.5
191.14291	5.4
192.13397	1.5
193.12216	20.9
195.11662	1.8
197.13287	1.7
199.11203	2.0
201.12811	2.5
211.13269	3.3
213.12669	1.5
215.14230	3.1
217.12218	2.3
219.13788	13.4
223.11258	1.5
227.12689	3.3
231.13870	1.6
233.15381	4.5
235.13304	2.5
255.13739	2.1
259.13062	1.5
259.15375	8.2
267.15872	44.8
268.16223	2.0
273.14752	11.1
285.17007	2.3
287.16354	1.7
293.17438	7.2
301.16733	2.2
339.23135	3.5
342.08902	1.4
349.21613	3.9
357.24072	3.2
367.22681	13.7
385.23633	24.9
403.24588	11.2
435.34488	1.2
441.26257	7.5
451.26959	3.4
459.27362	99.4
460.27649	7.7
477.28424	100.0
478.28802	6.8
491.30606	7.1
495.29651	10.7
509.31467	1.7
527.28674	2.1
567.29095	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01871	7.4
55.05508	15.3
57.03431	10.1
57.07069	1.5
60.08158	6.7
61.02918	1.9
65.03937	3.0
67.05499	54.0
69.03433	3.1
69.07063	14.6
71.01350	2.5
71.04996	5.1
71.07368	4.2
73.02913	1.2
77.03931	1.3
79.05488	44.1
81.03398	6.4
81.07051	47.0
83.04974	13.2
83.08606	5.8
85.02889	2.9
85.06537	5.6
86.09698	32.1
86.65112	0.7
91.05473	41.0
93.07037	47.1
95.04956	12.1
95.08596	14.8
97.02881	2.0
97.06521	8.1
97.10141	5.1
98.98481	3.7
99.04465	1.4
99.08099	1.4
103.05466	0.9
104.10721	2.6
105.04506	1.7
105.07022	36.3
107.04943	5.9
107.08584	38.4
108.08886	0.9
109.06490	6.1
109.10146	37.7
111.04454	1.1
111.08092	3.5
113.06034	1.6
115.05462	2.0
117.07025	6.7
117.87833	0.9
119.08575	11.0
121.06523	6.4
121.10142	8.9
123.04365	1.1
123.08065	4.0
123.11723	5.2
123.36560	0.8
124.99997	21.6
125.09631	1.9
127.07524	1.8
128.06183	2.0
129.07018	2.8
131.08574	7.0
133.06508	3.4
133.10118	46.8
135.08072	6.2
135.11684	24.6
137.09619	1.7
142.07660	0.9
143.08560	3.6
145.10095	8.4
147.08022	1.8
147.11699	3.2
149.09630	5.2
149.13220	1.3
151.11169	20.6
155.08501	1.2
157.10164	3.4
159.08064	1.5
159.11699	2.7
161.09587	5.9
161.13243	2.0
163.11162	5.8
169.12270	3.8
171.11711	2.0
173.13263	1.5
175.11186	2.6
177.09050	2.0
181.12199	6.1
184.07329	100.0
185.13214	1.2
189.12730	1.9
199.13229	1.2
215.12775	2.6
227.17868	1.8
245.19070	3.6
251.12820	2.6
253.14330	71.6
254.14713	2.2
255.15834	36.5
257.18958	1.2
259.20673	1.4
263.20044	2.5
267.15817	1.3
269.17511	1.2
271.15445	1.2
273.18472	21.1
273.21405	1.5
274.18716	1.1
275.20151	2.4
283.15329	2.5
291.19492	21.7
309.20755	1.9
333.24265	1.6
337.23553	1.4
347.22174	8.0
365.23181	13.4
386.27753	0.9
412.07370	0.9
449.25568	2.3
451.26868	30.0
452.27283	1.5
487.30527	0.9
527.33453	9.2
545.34668	51.5
546.34827	3.3
563.35913	1.0
724.45337	6.0
726.54193	0.9
742.42065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01864	5.7
55.05252	1.8
55.05506	23.7
57.03433	11.8
57.07069	1.1
59.04990	0.9
60.08170	1.9
61.02920	2.6
65.03939	2.2
67.05496	43.2
69.03426	7.6
69.06708	2.2
69.07059	27.5
69.87135	0.9
71.01349	3.4
71.04977	3.5
77.03911	1.1
79.05486	38.9
81.03405	6.9
81.06573	1.5
81.07047	29.2
83.04973	8.4
83.08615	8.7
83.38100	1.0
85.02872	2.9
85.06528	3.2
86.09694	10.6
90.15945	0.9
91.05468	25.7
93.07036	39.4
95.04967	10.0
95.08595	12.8
97.02892	9.7
97.06520	8.7
97.10165	17.4
98.98449	1.3
99.08060	2.0
105.04524	2.0
105.07027	12.2
107.04935	6.5
107.08584	28.0
109.06518	3.5
109.10136	8.6
109.70369	1.0
111.08064	3.3
117.07023	6.4
119.04962	1.2
119.08562	12.7
121.06475	4.6
121.10112	7.0
123.08049	3.3
123.11710	1.3
125.00000	7.4
125.09619	7.7
129.07005	3.8
131.08540	6.3
133.06458	4.0
133.10132	8.3
133.73581	1.0
135.08060	4.2
135.11679	28.2
137.09578	2.5
143.08533	3.0
145.10094	11.3
147.08017	4.8
147.11638	1.9
149.09537	1.8
149.13179	1.4
151.11180	1.2
153.09038	1.1
153.12701	1.7
157.10120	1.6
159.11678	2.2
161.09619	2.3
162.10443	1.0
163.11159	4.4
165.09140	2.5
167.27229	1.0
171.11642	1.5
175.11205	1.5
177.12746	1.3
181.12212	9.2
184.07321	29.2
185.07628	5.1
186.07806	1.2
189.11194	3.4
193.12253	1.4
194.77632	1.0
199.13266	1.0
205.12178	1.5
207.37079	1.1
223.13264	13.9
227.12682	5.3
233.15411	1.1
234.36676	1.0
245.18884	1.4
249.14819	2.6
255.15860	58.7
256.16187	1.3
267.15802	1.4
273.18494	14.1
278.24185	1.0
283.15381	1.2
291.19516	93.7
292.19794	3.1
347.22168	2.0
365.23166	30.8
366.23608	1.4
425.25372	1.8
447.27167	1.8
465.28329	2.5
477.28702	1.7
486.37515	1.1
512.35400	1.3
527.33398	1.7
545.34662	100.0
546.35187	6.0
700.36237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01854	3.7
55.05501	28.3
57.03439	16.5
57.07061	3.5
60.08160	2.9
61.02925	5.3
65.03949	3.4
67.05497	83.5
69.07062	29.9
69.07410	3.9
69.31828	10.0
70.06527	2.8
71.04968	5.8
79.05485	76.9
81.03416	8.9
81.06561	4.8
81.07048	100.0
83.04966	8.5
83.08601	17.5
85.02886	2.8
86.09705	8.4
91.05472	63.1
93.06440	4.7
93.07035	87.7
95.04937	14.0
95.08594	33.3
97.06521	13.9
97.10130	5.6
98.23518	2.3
99.08124	3.7
105.07009	58.4
107.08585	47.9
107.09261	4.2
109.06527	5.9
109.10136	12.4
117.06998	21.7
119.08565	43.3
121.06467	2.6
121.10127	28.1
123.11707	3.7
125.00002	6.9
128.06274	2.3
129.06987	11.6
131.08546	29.1
133.10107	38.0
135.08049	3.8
135.11668	21.1
143.08530	6.1
145.10109	18.4
147.11659	40.2
149.13245	29.4
151.11189	3.8
157.10098	8.6
159.11655	24.9
161.13255	23.6
163.14810	4.3
171.11688	12.4
173.13278	9.8
174.32370	2.6
175.14816	9.4
177.12744	6.8
180.58160	3.1
183.11668	3.1
184.07335	23.4
185.13234	11.3
187.14928	2.3
195.11743	2.0
195.13715	11.8
199.14810	5.2
231.21133	6.7
241.19458	32.1
259.20526	73.6
260.20868	4.6
267.15778	13.8
269.17447	87.4
315.23163	5.9
333.24216	58.5
334.24515	4.1
335.25534	3.5
435.32620	9.6
453.33743	5.2
471.34946	4.1
509.35895	3.2
514.77325	2.6
527.37274	67.8
545.38422	22.9
562.44916	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01855	1.8
55.05507	18.1
57.03437	18.0
57.07050	1.3
61.02918	5.7
65.03923	4.0
67.05499	64.8
69.03424	5.0
69.07061	15.5
71.04988	6.6
73.33495	1.3
79.05485	49.6
81.03410	49.5
81.07050	59.2
83.04979	12.7
83.08613	18.9
85.02898	24.1
85.06548	3.1
91.03941	1.4
91.05470	37.7
93.07037	51.6
95.04964	25.7
95.08598	41.5
97.02881	4.1
97.06519	4.2
97.10155	4.6
98.23470	3.9
105.04510	1.9
105.07024	28.4
107.04934	4.9
107.08587	24.3
109.06509	5.3
109.10146	15.3
111.08042	8.5
113.06026	2.2
115.05428	2.3
117.07011	6.3
119.08559	21.8
121.10133	21.9
123.08059	3.7
123.11679	4.2
129.06985	9.0
131.08556	17.6
133.06476	2.9
133.10130	14.8
135.11664	13.1
137.09587	2.1
137.13232	1.8
142.07768	2.3
143.08543	1.6
145.10112	5.7
147.01593	1.4
147.08022	1.4
147.11674	17.7
149.09618	5.1
149.13239	4.4
157.10114	11.6
159.11688	4.4
161.13268	4.1
163.14810	1.9
165.12733	3.8
173.13211	4.0
175.11150	12.8
185.13165	1.4
193.12218	36.8
201.16452	1.6
211.13258	53.0
243.21019	3.3
261.22061	10.0
267.15842	12.3
285.16940	53.2
286.17267	2.7
317.24692	3.3
335.25778	91.5
336.26120	4.4
364.79080	1.6
435.32516	1.8
453.33365	1.7
492.11353	1.4
527.37415	14.7
545.38342	100.0
546.38525	9.3
714.05579	1.5
723.67529	1.5
742.44092	2.0
743.42413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
53.09071	1.4
55.01871	2.7
55.05508	23.1
55.05775	1.6
57.03176	2.2
57.03434	24.5
57.07062	1.3
59.05027	1.6
61.02921	5.9
63.10061	1.3
65.03940	5.5
65.82166	1.3
67.05499	70.1
67.48888	1.2
69.03432	6.0
69.07066	18.2
69.66746	4.8
71.04993	5.7
71.51875	1.4
73.02923	1.5
75.89874	1.2
77.03913	2.2
79.05487	58.8
81.03411	72.4
81.07051	68.2
82.07392	1.7
83.04980	21.4
83.08614	34.0
85.02897	27.8
85.06553	3.3
91.03957	2.1
91.05474	49.7
93.07039	49.2
95.04968	31.7
95.05531	1.1
95.08598	41.8
97.02892	5.2
97.06536	7.8
97.10165	7.9
99.08073	2.9
105.04524	2.0
105.07021	29.6
107.04951	9.3
107.08590	33.0
109.06500	6.9
109.10150	16.6
111.04424	3.6
111.08070	11.7
113.06029	2.7
117.07025	5.5
119.08571	28.3
121.06552	2.8
121.10136	26.1
123.08044	3.3
123.11741	6.4
125.09634	3.1
128.06192	1.7
129.06982	12.2
130.41026	1.3
131.08559	21.3
131.94864	1.4
133.06528	2.8
133.10109	18.2
135.11684	11.1
137.09567	2.5
137.13226	2.1
142.07793	4.6
145.10121	6.7
146.11519	1.5
147.08055	3.7
147.11664	20.4
149.09604	6.4
149.13290	5.5
151.11224	1.7
157.10121	18.1
159.11690	5.8
161.13243	5.3
163.11182	2.0
163.14845	2.7
165.12769	3.9
168.73369	1.4
173.13220	4.2
175.11177	19.5
175.14746	1.7
187.14760	2.8
193.12225	59.4
194.12590	1.6
201.16391	2.6
211.13271	80.6
227.12813	1.7
243.21048	3.1
261.22171	13.3
267.15851	20.7
285.16937	91.4
286.17307	3.8
317.24890	3.2
335.25778	94.7
336.26102	4.3
428.35919	1.5
435.32452	2.6
490.49460	1.5
527.37225	12.8
545.38324	100.0
546.38586	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01865	3.5
55.05499	22.5
57.03429	13.9
57.07075	4.5
61.02925	4.5
65.03928	4.8
67.05499	83.5
69.03426	3.5
69.07059	29.3
69.07642	14.2
71.04975	5.5
77.03941	2.3
79.05113	1.4
79.05486	79.5
81.03398	13.7
81.07050	100.0
83.04980	8.5
83.08600	23.1
85.02917	4.1
85.06537	3.3
86.09711	6.7
91.04954	1.8
91.05471	68.9
93.07038	73.2
95.04959	14.1
95.08593	40.7
97.02876	3.8
97.06522	12.6
97.10157	4.1
98.22716	5.5
99.08103	4.4
103.26395	1.9
105.04508	4.2
105.07024	53.2
107.04972	4.3
107.08587	49.9
109.06492	5.6
109.10143	12.6
110.11562	2.1
111.08082	6.2
117.07023	24.7
119.08576	43.7
121.06504	4.1
121.10146	25.0
123.08045	3.0
123.11664	6.5
125.00005	4.0
128.06238	3.3
129.06987	11.2
131.08553	27.9
133.10123	47.3
135.11693	18.8
143.08559	9.4
145.10138	16.6
147.11684	32.1
149.09679	4.2
149.13239	20.1
155.08656	3.6
157.10103	7.8
159.11674	24.8
161.13255	18.7
163.11154	3.9
163.14755	3.8
171.11652	11.8
173.13266	8.3
175.14825	7.1
177.12709	5.4
179.14394	3.0
184.07352	20.8
185.13246	4.9
187.14793	3.3
193.12195	3.3
195.13803	15.2
199.14828	6.0
201.16310	2.3
213.14774	3.1
231.21109	6.1
241.19476	23.5
259.20566	57.7
259.23169	3.8
260.20999	2.8
261.22049	5.2
267.15860	14.7
269.17419	69.2
270.17810	3.2
293.80438	2.5
315.23114	5.8
333.24219	68.5
334.24524	2.8
335.25781	10.3
435.32263	4.1
453.33722	4.4
509.35889	2.8
527.37323	54.3
528.37354	3.7
545.38269	16.9
744.16748	2.5
773.49988	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	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01874	2.3
55.05508	15.7
55.76553	1.2
57.03436	10.8
61.02925	2.5
65.03934	2.7
67.05160	2.8
67.05503	40.9
67.05864	2.0
69.03430	3.0
69.07075	8.6
69.12074	1.9
69.12482	5.5
70.33049	1.2
71.04995	2.9
74.91643	1.3
79.05488	33.5
80.05800	1.7
81.03412	41.4
81.07054	43.6
83.04984	8.5
83.08618	17.0
85.02893	15.0
85.06509	1.5
88.68529	1.3
91.05467	22.7
91.05979	1.8
93.07043	30.5
93.47315	1.2
95.04964	19.2
95.08603	27.1
97.02900	3.2
97.06524	4.0
97.10154	1.9
105.07036	18.8
107.04951	3.6
107.08591	16.5
109.06532	3.5
109.10166	6.7
111.08067	7.1
117.06990	3.0
119.08578	15.9
121.10150	14.1
123.08060	2.6
123.11716	3.0
125.09596	1.5
129.07002	6.0
131.08578	9.6
133.06596	1.5
133.10092	8.0
135.11676	7.0
137.09599	1.5
145.10129	4.2
147.08080	1.7
147.11667	12.6
149.09656	3.7
149.13277	3.9
157.10115	9.4
159.11732	2.6
161.13287	2.3
173.13292	2.0
175.11192	8.9
193.12227	25.7
211.13284	33.3
212.13606	2.2
223.12814	1.1
227.12555	1.2
243.21080	1.8
261.22122	5.1
267.15982	7.9
285.16953	32.0
301.88977	1.3
303.34720	1.2
312.75751	1.3
317.24890	1.7
335.25781	61.5
336.26181	5.2
527.37323	7.2
534.94971	1.4
545.38336	100.0
546.38428	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	743.2025
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03920	0.3
55.01861	0.3
55.05488	0.2
56.89133	0.3
57.03431	2.3
61.02914	1.0
61.73676	0.2
67.05473	0.3
68.99781	0.4
69.03435	2.2
69.68908	0.8
71.01355	0.4
71.04987	8.6
73.02913	2.0
75.04463	0.7
77.26762	0.2
81.03415	0.7
82.62981	0.2
83.04964	1.7
85.02897	13.4
87.04458	0.5
91.03933	0.4
93.03383	0.2
95.04950	0.4
97.02885	3.6
98.22860	0.5
98.23411	0.3
99.04453	0.3
100.03320	0.2
103.03938	0.2
107.11147	0.2
109.02860	0.6
111.00757	0.9
111.04408	1.1
112.17862	0.2
115.03896	1.4
121.02853	1.0
123.04412	0.4
127.03915	0.9
129.05466	3.1
133.04968	0.4
135.04315	0.3
137.02325	2.3
137.03285	0.4
145.04942	0.8
147.06555	1.3
149.02318	0.4
153.01813	3.1
161.05919	0.3
163.03902	0.3
163.06010	0.4
165.01860	1.4
169.57932	0.2
171.06516	0.3
173.05986	0.3
183.02885	0.6
201.05492	1.2
219.06509	0.3
219.83403	0.2
225.07550	0.6
229.04918	3.2
241.07069	0.3
247.05956	0.6
257.04379	1.8
274.04669	0.8
285.03931	0.9
303.04953	100.0
304.05261	3.7
315.04883	0.5
345.05972	0.9
369.05847	0.4
399.07159	0.2
449.10715	0.3
465.10364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.8
55.50854	0.6
57.03416	0.8
61.02909	1.6
64.62341	0.6
67.05496	3.3
69.03447	0.8
69.07082	0.8
71.04996	1.0
73.02909	1.2
79.05486	1.8
80.69886	0.7
81.03410	1.8
81.07036	2.0
85.02892	1.5
91.03972	1.0
91.05462	1.0
93.07048	1.4
95.04951	0.7
95.08584	1.3
97.02871	1.4
98.23495	1.4
98.56973	0.7
101.02411	0.7
105.07055	0.6
107.04939	0.8
107.08567	0.6
109.10130	1.9
111.66802	0.6
113.48972	0.8
117.64731	0.6
119.08565	1.2
133.10114	0.7
163.11145	0.8
193.12303	0.9
249.10959	0.8
267.09106	1.5
283.08459	0.8
285.09955	0.7
333.02628	0.6
413.17685	2.0
467.18903	1.5
523.90582	0.8
639.29736	11.0
665.31293	2.3
677.70673	0.8
711.31146	0.9
743.32300	100.0
744.32574	9.6
763.35272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01864	2.7
55.05511	9.0
56.05850	1.1
57.03436	6.6
61.02921	6.1
65.03916	0.9
65.62127	0.9
66.54321	0.9
67.05161	1.5
67.05498	19.6
68.05822	2.2
69.03414	7.1
69.07059	3.7
69.16662	0.8
70.06573	2.6
71.01315	1.2
71.04980	3.2
71.42944	1.2
73.02911	5.0
75.54134	0.9
79.05486	10.6
81.03410	19.6
81.07048	16.3
82.03717	1.8
82.07336	1.7
83.04973	4.8
83.08607	6.3
85.02882	9.2
85.06541	1.2
87.04451	1.5
89.81579	1.2
91.03951	3.5
91.05469	13.5
92.05800	1.8
93.07021	11.3
94.07333	1.6
95.04943	7.7
95.08600	6.2
96.05313	1.7
96.08131	1.0
97.02869	8.2
97.06540	2.6
97.10152	4.4
99.04455	2.2
101.02361	2.2
105.07009	6.3
106.07370	1.3
107.04945	3.1
107.08593	6.7
108.08909	1.7
109.02878	2.3
109.06493	3.3
109.10136	9.7
111.04440	2.2
111.08079	2.7
117.07021	2.0
119.08582	5.7
120.08885	1.9
121.06532	1.7
121.10142	4.3
123.08051	1.8
123.11687	1.7
125.09624	3.5
127.03916	2.3
127.77642	1.1
129.05473	1.6
129.07016	2.7
130.07289	1.0
131.08549	3.5
133.06468	1.1
133.10141	4.7
135.11722	3.8
137.05957	2.4
137.09654	1.3
139.40634	1.0
145.06537	1.2
145.10109	3.0
146.10495	1.2
147.08061	1.8
147.11702	3.3
149.09642	2.9
151.11131	1.7
151.92017	1.0
153.01756	5.7
154.02176	2.1
157.10159	3.1
163.11198	4.1
165.09131	1.3
167.07097	2.0
171.10063	1.0
173.11731	1.9
175.11191	2.9
191.10622	1.2
193.12131	6.7
194.12572	2.1
199.13266	1.4
200.14211	1.1
209.11711	2.8
211.13263	2.7
227.12871	2.0
229.14354	3.9
230.14751	2.4
243.08397	2.4
265.10550	2.1
267.15771	5.3
268.16379	3.0
283.09592	1.8
283.15320	2.1
284.15826	2.0
285.16904	2.9
286.17282	2.2
299.14801	1.1
301.16507	3.0
302.16830	2.6
368.23026	1.6
385.23834	1.9
459.27786	4.9
460.27722	12.6
467.18747	2.2
469.20633	3.8
477.28278	6.3
478.28748	12.1
483.18323	3.7
485.19226	2.0
501.23334	1.4
528.28552	2.8
693.30933	7.7
711.31732	7.1
712.31165	1.1
723.29578	1.2
725.33466	1.5
743.34259	100.0
744.34076	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	743.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
53.93311	0.4
55.01865	0.6
55.05509	1.3
57.03426	2.8
59.05007	0.6
61.02923	4.7
61.22307	0.4
65.03913	0.5
67.05504	8.5
69.03436	2.9
69.07070	0.8
70.06592	0.5
71.01378	0.6
71.04983	2.0
73.02918	3.7
79.05495	2.3
81.03407	3.2
81.07060	2.8
83.04989	0.8
83.08617	0.6
85.02895	6.3
87.04451	0.6
88.30843	0.4
91.03953	3.0
91.05462	2.3
93.07037	2.2
95.04957	1.6
95.08611	1.5
97.02886	4.9
97.06467	0.7
97.10179	0.6
99.04459	1.2
99.08072	0.4
101.02377	1.7
105.07030	1.6
107.04945	0.9
107.08614	1.7
109.02879	0.8
109.10152	6.7
110.10516	0.5
117.07010	0.7
119.08582	1.6
121.10161	1.3
127.03925	1.6
129.05501	0.6
131.08556	0.5
133.10130	0.8
135.11707	2.0
145.05002	0.7
145.10095	1.4
147.11671	0.5
153.01660	0.5
163.11214	2.2
168.55371	0.5
172.89732	0.5
173.11710	2.4
183.06584	0.5
184.07344	0.9
185.04225	0.7
195.09935	0.9
209.11790	0.6
219.10059	0.6
227.12915	0.9
229.14294	1.2
243.08380	2.2
249.11034	2.4
251.12486	0.6
255.09018	0.5
267.08911	0.9
271.09470	0.4
283.15369	1.3
297.16638	1.5
305.13629	1.2
311.87805	0.5
413.17780	10.1
467.18866	9.5
469.20572	1.1
473.16946	0.8
485.17160	0.9
515.24390	0.9
610.29352	0.5
639.29797	100.0
640.30060	7.0
697.34564	0.9
725.33337	0.6
729.35126	0.6
742.38477	0.5
743.37488	21.1
744.36523	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40525	0.4
55.01857	1.0
55.05497	1.4
56.12522	0.4
57.03428	2.8
59.04990	0.9
61.02916	5.5
63.12438	0.4
67.05492	7.3
69.03426	2.7
69.07066	0.6
70.03894	1.3
71.01342	0.8
71.04987	0.9
73.02909	3.8
79.05042	0.4
79.05477	2.3
81.03412	4.1
81.07041	2.6
83.01366	0.6
83.04981	0.8
83.08604	1.3
85.02887	5.4
87.04485	0.5
91.03937	3.8
91.05444	2.3
93.07027	2.0
95.04919	0.5
95.08594	0.9
97.02872	4.4
97.10118	0.4
99.04415	1.1
101.02371	1.2
103.03915	0.5
105.07018	1.5
107.04926	0.8
107.08587	1.4
109.02878	0.6
109.06535	0.5
109.10133	7.1
109.10799	0.7
111.08038	0.5
117.06973	0.4
119.08563	1.8
121.10085	0.9
123.08027	1.0
127.03903	1.9
131.08612	0.6
133.10150	0.6
135.11671	1.1
145.10080	1.0
155.10649	0.7
163.09990	0.5
163.11111	2.4
173.11667	2.5
181.12138	0.5
185.04242	1.0
193.12210	0.5
195.09933	0.8
209.11719	0.6
229.14354	1.3
243.08423	3.4
249.10851	0.6
281.13739	0.5
283.15359	1.5
292.19614	0.4
314.74451	0.4
376.92819	0.4
383.23779	0.5
384.24255	0.5
413.17654	11.1
467.18796	9.7
469.20197	0.8
515.25018	0.5
544.60529	0.4
639.29730	100.0
640.30054	6.9
653.29059	0.8
697.33466	0.9
725.32532	1.4
743.37421	16.5
744.36279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
53.38472	0.6
55.01874	0.9
55.05498	2.7
57.03434	3.4
61.02921	6.5
67.05500	7.2
69.03429	4.6
69.07061	1.8
70.06592	1.3
71.01364	0.9
71.04982	4.0
71.42948	1.1
73.02906	4.0
79.05492	5.8
80.05836	0.8
81.03403	7.4
81.07050	6.9
82.18637	0.7
83.04973	1.5
83.08626	3.7
85.02900	6.7
85.06529	1.0
91.03941	3.5
91.05473	7.0
93.07014	4.2
94.07349	0.7
95.04957	2.9
95.08595	1.8
97.02910	4.4
97.06544	1.3
97.10219	0.9
99.04446	1.5
101.02376	2.1
103.03959	0.7
105.07026	3.1
107.04996	0.8
107.08603	2.1
109.02826	0.9
109.06520	2.3
109.10139	2.9
111.08067	1.8
115.03976	0.7
117.07002	1.1
119.08588	3.2
121.10125	1.9
123.11752	0.9
127.03894	2.9
129.07005	2.4
131.08563	2.2
133.10129	1.9
135.08121	1.0
140.26279	0.6
145.10133	1.4
147.08043	0.9
147.11696	3.3
149.09613	1.3
153.01872	1.0
157.10104	1.8
165.12834	0.8
173.11777	0.8
175.11215	1.6
184.07408	1.3
185.04283	1.7
193.12207	4.1
211.13371	1.6
243.08401	3.3
251.12576	2.8
262.27161	0.8
265.14139	2.1
267.15875	0.9
268.04056	0.8
281.13724	1.5
297.55103	1.0
301.09079	3.6
307.15140	1.4
321.16943	0.7
373.11148	0.8
385.18436	1.3
413.17957	1.7
425.17645	1.1
429.17346	1.1
447.27081	1.0
467.18793	1.4
469.20291	9.2
483.22195	1.1
499.21170	2.9
515.25311	6.3
571.23401	2.4
639.29773	12.0
641.30725	1.6
667.31970	1.0
711.32043	2.2
725.33075	2.9
743.38171	100.0
744.38226	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	743.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
53.38472	0.6
55.01874	0.9
55.05498	2.7
57.03434	3.4
61.02921	6.5
67.05500	7.2
69.03429	4.6
69.07061	1.8
70.06592	1.3
71.01364	0.9
71.04982	4.0
71.42948	1.1
73.02906	4.0
79.05492	5.8
80.05836	0.8
81.03403	7.4
81.07050	6.9
82.18637	0.7
83.04973	1.5
83.08626	3.7
85.02900	6.7
85.06529	1.0
91.03941	3.5
91.05473	7.0
93.07014	4.2
94.07349	0.7
95.04957	2.9
95.08595	1.8
97.02910	4.4
97.06544	1.3
97.10219	0.9
99.04446	1.5
101.02376	2.1
103.03959	0.7
105.07026	3.1
107.04996	0.8
107.08603	2.1
109.02826	0.9
109.06520	2.3
109.10139	2.9
111.08067	1.8
115.03976	0.7
117.07002	1.1
119.08588	3.2
121.10125	1.9
123.11752	0.9
127.03894	2.9
129.07005	2.4
131.08563	2.2
133.10129	1.9
135.08121	1.0
140.26279	0.6
145.10133	1.4
147.08043	0.9
147.11696	3.3
149.09613	1.3
153.01872	1.0
157.10104	1.8
165.12834	0.8
173.11777	0.8
175.11215	1.6
184.07408	1.3
185.04283	1.7
193.12207	4.1
211.13371	1.6
243.08401	3.3
251.12576	2.8
262.27161	0.8
265.14139	2.1
267.15875	0.9
268.04056	0.8
281.13724	1.5
297.55103	1.0
301.09079	3.6
307.15140	1.4
321.16943	0.7
373.11148	0.8
385.18436	1.3
413.17957	1.7
425.17645	1.1
429.17346	1.1
447.27081	1.0
467.18793	1.4
469.20291	9.2
483.22195	1.1
499.21170	2.9
515.25311	6.3
571.23401	2.4
639.29773	12.0
641.30725	1.6
667.31970	1.0
711.32043	2.2
725.33075	2.9
743.38171	100.0
744.38226	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	743.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01877	1.0
55.05506	1.9
57.03430	2.6
61.02922	5.3
65.73870	0.4
67.05499	4.5
69.03426	3.1
69.07066	1.1
71.01341	0.5
71.04998	3.4
71.08524	0.4
73.02908	3.4
79.05492	4.0
80.73015	0.4
81.03407	9.5
81.07048	5.6
82.38108	0.4
83.04990	1.2
83.08629	2.5
85.02899	6.1
91.03960	3.1
91.05463	5.4
93.07029	2.9
95.04958	3.4
95.08609	1.7
97.02885	4.7
97.03487	0.5
97.06514	1.0
97.10180	0.5
99.04469	1.0
101.02393	1.8
105.07024	3.5
107.04948	1.1
107.08611	1.8
109.02840	0.5
109.06519	0.7
109.10180	1.0
111.08084	1.0
119.08568	3.6
121.10168	1.6
121.54231	0.4
125.09694	0.5
127.03935	1.7
129.05499	0.7
129.07011	1.5
131.08591	1.6
133.06511	0.7
133.10146	1.6
142.07764	0.4
147.11661	3.7
149.09619	0.9
153.01892	0.6
154.02174	0.6
157.10132	2.0
165.12688	1.0
175.11240	1.6
185.04198	0.7
193.12248	2.7
194.12590	0.4
211.13313	1.1
212.13553	0.4
225.14790	0.6
229.14447	0.4
243.08369	2.6
251.12654	1.3
265.14203	1.3
267.15970	0.9
268.16306	0.9
307.15179	0.5
349.78104	0.5
460.27591	0.9
469.20490	8.9
470.20874	0.6
478.28558	0.9
478.54010	0.4
483.22067	1.5
485.23499	0.6
486.15225	0.5
515.24536	5.9
743.38208	100.0
744.38379	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	743.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05510	1.7
57.03431	1.5
59.33617	0.9
61.02919	6.8
67.05503	5.0
69.03433	2.8
70.56071	1.7
73.02908	4.9
79.05474	5.3
81.03395	1.6
81.07056	5.8
82.33926	1.0
85.02890	5.5
91.03970	3.9
91.05487	3.0
93.07037	6.1
94.44235	0.9
95.04967	1.9
95.08624	4.3
97.02879	4.9
101.02361	1.6
103.85989	1.1
105.07063	1.9
107.08586	2.3
109.10150	1.9
121.10130	1.3
125.45520	0.9
133.10109	1.2
158.64110	1.2
243.08415	2.4
247.13174	1.2
283.56332	1.0
465.20993	4.1
519.29407	7.2
643.29742	1.2
743.43256	100.0
744.43604	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	744.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01861	0.2
55.05510	0.7
57.03432	0.3
61.02918	0.2
62.46759	0.1
65.03946	0.1
67.05493	1.2
67.67288	0.1
69.03416	0.5
69.07056	0.4
70.06580	1.3
71.04984	0.3
71.43550	0.1
73.02907	0.2
79.01846	4.1
79.05478	1.0
81.03413	2.9
81.07049	0.9
83.04971	0.4
83.08611	0.5
85.02889	0.6
86.09686	0.3
91.05473	2.1
93.07063	0.8
95.04935	0.7
95.08595	0.5
97.02897	1.3
97.06522	0.3
97.10153	0.4
102.34869	0.1
105.07003	0.5
105.21166	0.1
105.66932	0.2
107.01303	1.1
107.04922	0.2
107.08566	0.5
109.02872	2.9
109.06522	0.2
109.10188	0.7
111.08060	0.2
117.07066	0.2
119.08545	0.5
121.06507	0.2
121.10149	0.5
123.08076	0.2
124.99967	0.2
125.02340	2.5
125.09591	0.3
127.03954	0.8
129.05383	0.1
129.06927	0.3
131.04871	0.3
131.08565	0.4
133.10114	0.2
135.04442	0.2
135.08037	0.2
135.11678	0.2
137.06023	0.3
141.06966	0.4
143.03386	6.0
144.65434	0.1
145.10144	0.3
147.04433	0.1
147.08038	0.2
147.11627	0.2
149.09531	0.2
153.01813	100.0
153.02858	4.5
154.02156	1.7
154.03253	0.3
157.10117	0.2
159.04388	0.3
163.03888	0.2
163.11159	0.4
169.06483	0.4
175.11172	0.3
177.05420	0.2
181.01352	0.4
183.04414	0.6
184.07294	1.1
187.03838	0.2
189.11197	0.1
191.03416	0.2
193.12207	0.6
197.00876	0.2
197.05949	2.0
205.04936	0.8
211.13268	0.3
215.03389	0.4
217.04919	0.4
225.05444	2.1
226.06070	0.2
229.14423	0.3
230.81207	0.1
233.04422	1.4
236.16693	0.1
243.02858	0.5
243.06485	4.0
244.06873	0.2
249.03920	0.2
254.17561	0.3
261.03909	1.7
267.15909	0.7
279.04950	1.5
283.15353	0.2
297.06079	0.2
371.21481	0.1
383.22192	0.2
401.23233	0.3
449.07056	2.2
460.28043	0.3
478.28748	0.2
493.27753	0.3
511.28864	0.3
538.33563	0.3
581.34808	0.3
582.36072	0.6
619.09253	1.1
744.41870	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02367	0.4
67.05506	0.5
79.05484	0.5
81.07088	0.4
89.03909	6.4
91.05486	0.6
93.07023	0.4
98.22733	1.0
98.23434	0.9
103.05454	0.9
105.07011	0.3
106.04145	0.4
107.04958	0.4
107.08566	0.3
117.03366	16.2
131.04900	1.2
134.03658	1.1
135.04382	1.1
137.05940	0.9
140.22701	0.3
145.02829	43.5
145.09933	0.3
146.03207	0.8
149.05962	5.6
161.05901	0.5
163.03937	0.6
163.07483	0.8
168.31952	0.3
177.05444	100.0
178.05830	2.1
186.05466	1.4
193.08493	0.3
228.87845	0.3
255.15948	0.4
261.09094	0.3
265.08405	0.5
278.09268	0.3
293.11652	0.4
297.11130	0.3
325.14050	0.4
357.13351	0.3
374.78741	0.3
395.14597	0.4
449.28632	0.5
477.18716	0.5
514.18469	0.3
519.19647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76109	0.1
53.03938	0.4
55.01867	0.2
70.70104	0.1
73.52439	0.1
77.03931	0.5
79.05489	1.2
81.03408	0.1
85.02897	0.2
85.06567	0.1
95.04963	2.1
98.23316	0.1
105.04516	1.0
107.04947	100.0
108.05271	1.7
115.68424	0.1
145.08566	0.1
213.09091	1.2
236.98785	0.1
297.13312	0.1
386.60312	0.1
601.67633	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	744.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.6
56.77533	0.2
58.06593	0.3
60.08157	6.0
63.26922	0.2
67.05499	0.4
69.07027	0.1
70.06585	0.2
71.07369	4.3
79.05488	0.3
81.07045	0.4
85.06577	0.2
86.09697	29.7
87.10029	0.3
89.82590	0.2
91.05502	0.4
93.07027	0.3
95.08548	0.2
97.10204	0.2
98.98454	3.2
104.10731	2.1
105.06991	0.3
107.08586	0.2
119.08599	0.3
124.99992	20.8
127.47732	0.2
138.88177	0.2
143.01024	0.2
143.08705	0.2
154.67574	0.2
184.07323	100.0
185.07698	1.3
468.23563	0.2
529.35144	0.2
726.43353	6.0
727.42773	0.6
744.39313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05505	2.7
56.05024	1.0
57.03427	2.7
58.06602	0.6
60.08159	6.7
61.02904	0.7
65.03919	0.4
67.05501	9.6
69.03426	0.6
69.07063	2.8
71.01350	0.5
71.04981	0.9
71.07372	3.0
71.41685	0.3
72.90878	0.3
77.03931	0.3
79.05489	7.6
81.03416	1.1
81.07051	6.9
82.60720	0.3
83.04979	1.9
83.08611	1.3
85.02917	0.5
85.06509	0.6
86.09696	32.7
87.10048	0.3
91.05470	5.2
93.07037	8.7
94.07373	0.3
95.04978	1.5
95.08599	3.0
96.09269	0.3
97.02835	0.4
97.06530	2.1
97.10143	1.4
98.98452	3.8
99.04450	0.3
99.08091	0.5
104.10728	2.6
105.04485	0.4
105.07022	3.8
107.04939	1.0
107.08582	5.6
109.06543	0.4
109.10099	1.5
111.08055	0.5
115.05408	0.3
117.07070	1.6
119.08562	3.1
121.10126	2.3
124.99989	20.8
125.09626	0.5
127.03853	0.4
129.06960	0.7
131.08543	2.2
133.09171	0.3
133.10114	2.4
135.08015	0.4
135.10707	0.2
135.11674	6.8
137.09587	0.4
143.00938	0.4
143.08549	0.6
145.10089	2.5
147.11681	1.2
149.09590	0.7
149.13220	0.8
151.11220	0.5
157.10126	0.7
159.11667	1.7
163.11174	1.2
165.06995	0.3
175.11122	0.3
181.12236	2.1
184.07323	100.0
185.07660	1.7
195.13861	0.4
199.13138	0.4
215.14293	0.4
217.15891	0.4
227.12817	0.6
239.17897	0.6
255.15894	10.0
257.18918	1.3
269.17505	1.3
275.20020	3.7
349.23654	1.8
435.27429	3.0
449.28897	8.1
450.29181	0.5
489.32047	0.3
511.34067	0.4
529.28284	0.4
529.35345	4.4
547.35864	1.0
548.36273	0.4
726.43408	0.3
734.31000	0.3
744.44312	8.1
745.45367	0.6
769.11487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01871	4.9
55.05508	22.6
56.05029	1.3
57.03435	7.7
59.97490	1.0
60.08163	4.8
61.02924	2.0
62.47093	0.9
65.03951	1.2
67.05499	34.5
69.03429	3.8
69.07064	14.4
71.01341	1.6
71.04996	3.3
71.07372	2.8
71.41653	1.1
79.05485	38.6
80.05822	1.2
81.03408	6.3
81.07048	22.2
81.07502	1.8
83.04978	8.0
83.08614	12.3
85.02905	3.2
85.06526	2.4
86.09699	32.7
91.05468	20.0
93.07037	32.7
95.04967	5.9
95.08588	8.4
97.02887	2.2
97.06523	8.8
97.10160	25.0
98.98484	2.9
99.04432	1.1
99.08111	1.1
104.10760	2.6
105.04536	1.6
105.07020	17.9
107.04952	4.0
107.08583	39.2
109.02879	1.4
109.06524	2.1
109.10148	7.4
111.08083	3.0
111.11705	1.1
115.05437	1.1
117.07015	6.7
117.90198	0.9
119.08558	10.4
120.66180	1.0
121.06500	2.1
121.10141	6.1
123.08058	1.4
124.99993	23.5
125.09612	20.6
127.03891	1.5
129.06966	1.9
131.08543	5.7
133.10124	9.7
135.08063	2.6
135.11671	23.2
140.43968	0.9
143.08575	2.3
143.10608	1.0
145.10101	13.1
147.11658	5.8
149.09593	6.1
153.09038	1.4
153.12747	1.3
157.10086	1.6
159.11699	3.9
161.13316	2.1
163.11179	6.9
171.10231	1.1
171.11655	1.6
173.13280	1.3
178.71503	1.0
179.14240	1.3
181.12225	6.2
184.07327	100.0
185.07700	2.2
189.11205	10.9
227.12755	30.8
228.13187	1.6
255.15904	40.9
257.18994	5.9
275.20044	24.4
293.20975	1.3
331.22803	3.9
349.23679	21.2
350.23923	1.4
351.21588	1.6
389.18021	1.1
425.25339	20.9
426.25540	1.1
511.34058	4.4
529.35199	57.9
530.35303	4.4
547.36505	6.6
569.29626	2.7
726.43091	4.9
745.37732	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	744.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01864	9.9
55.05505	31.0
57.03429	27.3
57.07068	2.3
60.08145	1.7
61.02913	5.2
65.03933	5.2
67.05496	92.5
69.03415	7.6
69.07059	37.5
69.07437	1.4
71.01344	5.6
71.04980	9.5
71.08601	1.1
73.02919	3.0
74.73303	0.9
75.04457	0.9
76.93214	1.1
77.03931	2.3
79.05481	88.2
80.05816	1.4
81.03412	13.0
81.07046	72.4
83.04971	19.1
83.08612	13.4
84.90439	0.9
85.02892	5.1
85.06511	4.7
86.09698	10.7
91.05467	50.9
93.07030	94.9
94.07377	2.2
95.04955	17.7
95.05522	1.7
95.08595	30.4
97.02883	3.8
97.06520	27.5
97.07111	1.9
97.10152	18.8
97.10744	1.6
98.98473	1.3
99.04467	3.1
99.08054	4.5
105.04503	5.2
105.07017	33.4
107.04934	9.7
107.08578	57.8
109.02878	1.9
109.06502	4.3
109.10147	15.5
111.08041	6.0
113.06059	1.5
113.09629	2.0
115.05391	1.6
117.06998	20.1
119.08566	24.9
119.09415	1.6
121.06522	5.7
121.10130	19.6
123.08072	3.4
123.11730	2.7
124.99979	7.8
125.09620	8.7
127.03837	2.2
128.06187	2.4
129.05457	1.7
129.06993	5.7
130.07790	1.3
131.08549	15.5
133.06487	2.0
133.10117	19.4
135.08049	5.8
135.11670	65.9
136.12054	1.8
137.09634	3.5
139.11128	1.2
141.07005	1.8
143.08563	4.7
145.10100	22.8
145.11212	1.6
147.08064	1.6
147.11676	9.1
149.09595	15.3
149.13249	9.4
151.11137	2.1
153.09079	1.2
153.12726	1.7
155.08499	2.3
157.10101	4.3
159.11661	12.8
161.13240	4.8
163.11168	17.7
163.12466	1.7
169.10089	2.9
171.11713	3.3
173.04422	2.0
173.09608	1.0
173.11913	1.4
173.13223	5.0
175.11186	1.2
177.12753	3.7
179.14311	2.3
181.12206	14.1
182.12613	1.2
183.11612	2.0
184.07321	36.9
185.13252	2.0
187.11147	1.5
189.11206	4.8
195.13698	5.1
197.13252	2.1
199.13275	2.9
201.12804	1.1
213.14709	1.3
219.13649	1.0
219.17404	1.1
227.12752	8.4
229.19478	2.0
239.17931	2.2
247.20613	2.1
255.15880	100.0
256.16226	3.4
257.18951	11.3
267.15814	1.7
269.17389	13.5
275.20004	30.7
276.20316	1.1
283.15460	1.2
293.21167	3.0
299.25336	1.0
309.20505	1.2
313.21579	1.0
331.22610	2.2
337.23785	1.0
349.23740	19.8
350.24112	1.7
351.21652	1.9
367.24594	1.5
409.25488	1.9
425.25235	4.4
431.27805	1.8
433.29495	2.7
435.27365	26.1
436.27768	1.5
449.28912	97.4
450.29419	6.0
489.32068	2.0
501.35849	2.0
511.34247	2.0
529.35187	39.0
530.35303	4.5
547.36102	6.6
593.32916	2.8
744.42755	1.3
771.92371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01861	4.1
55.05505	15.3
55.60398	1.7
57.03431	10.4
60.08155	6.7
67.05495	41.2
69.03403	3.1
69.07054	16.2
70.07080	1.9
71.04983	3.1
71.07368	4.7
79.05486	30.2
81.03410	8.5
81.07053	39.9
83.04977	8.3
83.08617	14.5
85.06544	4.1
86.09702	31.3
87.10045	2.4
91.04935	3.6
91.05472	41.0
93.07036	37.7
95.04977	11.2
95.08598	14.0
97.06524	5.2
97.10153	4.5
98.98440	4.1
101.39125	2.0
104.10712	2.1
105.07018	39.2
107.04938	2.5
107.08585	30.6
109.06515	6.3
109.10152	36.3
111.08058	4.5
111.41160	2.0
116.40034	1.8
117.07030	13.0
119.08567	21.1
121.10143	8.5
123.08109	2.3
123.11725	5.4
125.00012	22.9
125.09638	2.6
129.07024	3.7
131.08560	12.0
133.10112	44.5
135.11678	14.9
143.08545	4.2
145.10109	12.6
147.11707	13.9
149.09616	5.5
149.13155	3.6
149.20522	2.0
151.11154	18.0
157.10144	3.7
159.11725	5.9
161.13268	8.6
163.11179	6.6
168.89665	1.9
169.12288	4.4
173.13292	4.3
175.14827	2.7
184.07329	100.0
185.07672	6.5
185.13263	4.8
189.12540	2.2
211.53743	2.5
215.12814	2.5
241.19467	9.1
248.89432	1.9
253.14322	57.3
255.15897	18.8
259.20557	29.5
271.15381	35.7
275.20016	10.3
277.21768	3.1
285.16962	3.7
293.21158	2.8
315.23172	3.5
333.24161	23.8
349.23703	7.0
455.31757	3.1
469.09958	2.0
476.84720	1.9
511.34149	7.4
529.35168	34.3
530.35651	2.5
547.36108	22.6
744.43073	4.2
745.39203	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	744.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01861	5.6
55.05506	18.0
57.03434	19.3
57.07069	1.8
60.08155	3.7
61.02921	2.9
63.61710	1.1
65.03938	2.7
67.05499	66.8
69.03419	4.2
69.07063	25.4
70.66103	1.5
71.01347	3.1
71.04996	5.9
73.02903	1.4
79.05485	54.9
81.03410	12.9
81.07051	52.2
83.04979	11.3
83.08633	9.8
85.02893	4.8
85.06541	5.5
86.09703	11.5
91.05476	38.2
92.41032	1.3
93.07036	69.4
95.04965	12.6
95.08598	22.0
95.09182	0.8
97.02895	3.5
97.05952	2.2
97.06526	20.6
97.10158	9.5
99.04431	1.9
99.08074	2.9
103.05440	1.3
105.04487	3.1
105.07024	21.4
107.04974	8.1
107.08584	44.1
109.06519	4.4
109.10151	11.9
111.08101	3.8
113.77664	1.2
115.05436	1.3
117.07032	11.1
119.08572	17.4
119.89485	1.3
121.06528	4.5
121.10137	15.1
123.08075	2.3
123.11710	2.1
125.00000	6.6
125.09647	2.4
127.03886	2.2
129.06998	1.6
130.07805	1.7
131.08562	10.3
133.10132	17.5
135.08049	3.1
135.11679	50.7
137.09566	2.1
143.08530	2.2
145.06552	1.6
145.10120	16.3
147.11697	5.7
149.09634	7.4
149.13251	9.5
151.11150	2.3
153.12727	2.3
155.08521	1.8
157.10083	1.9
159.11667	8.9
163.11157	11.8
171.11699	1.6
173.13283	3.4
177.12720	2.5
179.14317	3.5
181.12192	10.2
183.11729	1.7
184.07321	34.7
184.08830	2.4
189.11090	1.6
195.13783	4.8
199.13333	2.1
203.21242	1.4
208.92075	1.3
213.14758	1.4
227.12862	2.2
239.17915	1.9
247.20578	1.7
247.82495	1.4
255.15878	71.5
257.19040	5.2
269.17462	17.8
275.20044	15.3
276.55933	1.2
331.22833	1.4
349.23679	9.9
435.27356	24.3
449.28955	100.0
450.29321	7.0
529.35242	24.5
530.35358	1.6
547.36426	7.1
591.79333	1.4
593.32843	1.7
614.04041	1.3
676.53973	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01865	5.6
55.05507	28.7
57.03432	25.9
57.07060	3.2
60.08148	3.7
61.02915	5.1
61.33344	1.1
65.03926	4.5
67.05499	93.7
68.05817	3.6
69.03418	7.4
69.06710	2.1
69.07063	31.3
71.01343	4.3
71.04990	9.7
71.08629	1.8
73.02901	2.2
77.03899	2.1
79.05486	89.3
80.05807	2.0
81.03410	14.1
81.07050	74.2
81.41196	1.2
82.07378	2.3
83.04973	20.1
83.08619	11.1
85.02891	6.4
85.06539	5.8
86.09702	14.6
91.05473	75.6
92.05798	3.5
93.07037	100.0
94.07366	5.1
95.04962	20.2
95.08595	37.3
96.77888	1.4
97.02891	6.7
97.06524	20.8
97.10156	14.9
98.98423	1.8
99.04462	2.9
99.08076	6.3
103.05437	2.6
105.04504	4.6
105.07021	54.5
106.07388	2.1
107.04942	8.5
107.08587	54.8
108.08892	2.8
109.06543	6.7
109.10144	21.2
110.10501	2.5
111.08079	5.5
115.05424	2.1
117.07015	23.1
119.08569	45.8
119.84322	1.2
120.08895	1.4
121.06525	6.5
121.09278	1.8
121.10133	26.6
123.08057	5.0
123.11726	3.7
124.99996	11.3
125.09610	3.8
127.03878	3.5
128.06184	3.0
129.05482	1.6
129.07008	11.5
131.08548	24.1
133.06483	2.8
133.10115	38.9
134.10439	3.3
135.08041	5.7
135.11676	66.3
136.12047	2.5
137.09590	4.3
143.08546	11.3
143.92143	1.2
145.04932	1.7
145.10114	25.4
147.08031	2.7
147.11674	26.1
148.12030	1.6
149.09593	7.9
149.13240	13.4
151.11165	4.7
152.11432	1.6
153.12813	1.8
155.08490	2.3
157.10143	7.1
159.11678	17.4
161.09631	2.3
161.13216	14.9
163.11116	10.1
165.12717	1.4
169.10088	2.4
171.11658	11.4
173.11790	2.4
173.13184	10.1
175.11316	1.5
175.14772	8.1
177.12697	3.4
181.12204	13.3
183.11713	2.9
184.07329	47.8
185.07675	2.9
185.13286	7.7
187.14848	2.6
189.12715	2.0
195.13814	5.3
197.13269	2.3
199.13203	3.7
199.14845	2.9
203.14299	1.9
215.18056	1.8
227.12708	1.9
231.21021	2.3
233.15208	1.6
239.17909	2.3
241.19496	16.1
253.14285	10.4
254.14676	3.7
255.15901	67.2
256.16309	4.6
257.16528	2.1
257.18961	5.6
259.20569	44.0
260.20883	1.6
269.17477	8.8
273.18488	2.7
275.20004	12.0
291.19534	2.1
292.19827	2.5
293.20914	6.0
315.23349	2.3
333.24197	21.0
344.86505	1.3
349.23761	7.6
365.23260	1.9
367.24622	1.4
409.25818	1.8
427.12366	1.3
439.31937	2.1
449.28979	34.3
452.27567	1.3
453.27478	1.9
457.32813	2.1
461.28976	2.0
481.21515	1.7
503.36826	1.4
513.35797	29.2
514.36053	2.0
529.34900	4.3
531.36652	8.2
546.35529	2.4
547.35767	11.1
553.80566	1.3
745.41718	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01856	5.7
55.05506	30.0
57.03429	12.2
57.07059	6.7
57.31829	1.4
61.02911	5.2
65.03933	1.4
67.05498	18.4
69.07063	23.1
69.95454	2.2
69.95795	3.2
71.04978	4.7
71.08601	3.5
72.30969	1.4
73.02895	2.4
73.90125	1.4
78.53667	1.6
79.05482	15.2
81.03417	7.6
81.07047	23.1
83.01331	5.4
83.04958	6.3
83.08623	18.8
84.28748	1.4
85.02897	6.2
85.06564	1.7
91.05477	7.1
93.07040	19.3
95.04948	5.6
95.08591	21.9
96.08941	1.6
97.02863	4.2
97.06518	4.5
97.10165	8.7
99.04400	2.9
105.04533	2.3
105.07000	4.2
107.04969	5.6
107.08577	14.7
109.06528	4.1
109.10139	8.8
111.04411	1.7
117.07009	4.0
119.08569	6.1
121.06528	1.7
121.10146	10.7
123.08068	4.6
123.11677	2.2
135.11671	10.2
140.70662	1.4
145.10103	9.2
147.08063	2.3
163.11171	19.2
173.09633	2.3
173.64850	1.6
181.12146	2.1
209.11665	5.7
227.12724	5.0
263.22458	1.6
272.68915	1.5
283.15378	100.0
284.15677	3.2
339.28909	74.9
340.29187	3.1
373.21063	2.0
374.28662	1.8
547.39856	50.5
548.40125	5.7
744.43207	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01857	2.0
55.05508	18.8
57.03431	8.7
57.07075	2.6
59.04996	3.2
61.02933	5.0
64.80270	0.9
65.03929	4.1
67.05500	97.8
67.56572	0.8
69.03413	2.1
69.07063	17.7
69.19752	5.9
71.04993	20.5
74.66860	0.8
77.03927	1.1
79.05487	38.8
79.05948	2.1
80.92879	1.0
81.03418	7.7
81.07053	45.9
82.07412	1.5
83.04984	3.9
83.08613	10.9
85.02898	5.8
85.06546	3.2
86.09722	2.6
91.05472	27.0
93.07039	46.4
94.07386	1.0
95.04959	6.8
95.08601	33.0
95.09212	1.8
97.02857	2.0
97.06518	4.6
97.10164	3.3
99.98399	0.8
101.48849	1.1
102.90868	1.0
105.04525	2.5
105.07020	13.7
107.04929	1.5
107.08594	20.9
108.08994	1.0
109.06472	2.2
109.10150	62.4
111.08092	2.6
117.07007	5.0
119.08579	17.2
121.10133	16.8
123.08072	1.8
123.11698	3.8
124.51591	0.9
124.99947	1.3
125.09644	1.1
129.06989	1.1
131.08578	8.2
133.10114	8.0
135.11674	15.5
137.09612	8.5
137.13219	1.3
139.11153	1.5
143.08551	1.2
145.10107	7.6
147.11681	6.6
149.09615	1.6
149.13251	3.1
151.11208	1.3
155.10672	3.7
157.10107	2.0
159.11694	3.7
161.13235	3.0
163.11182	4.0
165.12750	1.1
169.12263	1.9
173.11742	7.2
173.13295	2.8
175.11275	1.2
175.14795	1.1
181.12318	1.3
184.07344	5.0
187.13354	1.2
187.14891	1.5
193.12253	4.5
211.13315	6.6
214.52328	1.0
229.14372	1.7
255.15926	5.0
261.22144	3.4
262.93350	1.0
285.16949	6.3
287.18475	18.2
287.21481	1.2
288.18869	1.3
335.25763	30.3
336.25824	1.3
337.27371	8.2
375.89075	0.9
379.29935	1.2
397.30710	2.1
471.34808	2.4
489.35715	100.0
490.36053	6.8
503.37262	2.8
515.37268	11.2
529.38788	1.7
547.39899	80.6
548.40076	5.8
744.45306	4.2
745.41040	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	25.7
57.03424	20.9
59.23015	3.6
61.02904	7.9
67.05505	58.4
69.03420	5.1
69.07069	26.1
72.02780	3.5
79.05490	31.8
81.03416	48.3
81.07053	64.2
83.04962	11.2
83.08616	28.9
85.02896	20.5
91.05463	32.4
93.07026	25.0
95.04948	28.7
95.08598	34.4
97.02902	8.0
97.06538	5.1
97.10128	7.9
105.06996	19.1
107.04943	7.2
107.08581	16.3
109.06464	5.6
109.10126	10.3
111.08091	10.0
119.08551	21.1
121.10094	14.7
123.08018	4.6
123.11697	4.7
129.06998	10.5
131.08572	8.3
133.10127	15.7
137.09547	4.5
137.13258	4.4
147.07977	4.2
147.11664	17.7
149.09616	5.8
157.10106	11.1
175.11160	15.5
184.57515	3.7
187.97206	3.8
193.12233	41.5
211.13292	65.9
267.15860	17.6
285.16977	73.3
337.23318	7.3
337.27304	82.3
529.38477	17.9
547.39844	100.0
548.39880	6.6
641.33936	4.6
744.45337	13.9
745.41040	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	27.7
57.03427	11.1
61.02915	8.5
67.05502	57.9
69.03422	4.4
69.07053	22.3
70.26909	3.7
70.85123	3.5
71.04992	5.3
71.43050	3.4
76.53342	3.5
77.86343	3.5
79.05488	28.9
81.03416	41.4
81.07050	56.8
83.04972	12.8
83.08622	21.7
85.02902	30.0
91.03909	4.4
91.05475	28.6
92.75212	3.6
93.06524	3.5
93.07023	19.8
95.04960	16.8
95.08607	32.6
97.02897	6.8
97.06534	3.9
97.10148	4.8
105.07028	18.6
107.08587	9.7
109.06508	4.8
109.10152	11.4
111.08128	6.3
119.08572	20.4
121.10135	13.0
123.07989	4.2
123.11720	6.0
129.06998	7.1
133.10100	12.3
147.11690	11.7
149.09584	5.2
157.10147	8.8
161.13271	4.5
165.12796	5.1
175.11208	7.6
193.12257	30.7
211.13300	40.6
263.23706	3.6
267.15887	12.3
285.16946	56.4
328.52493	3.4
337.27347	82.4
338.27454	4.4
467.19128	4.7
519.29114	4.6
529.38824	10.3
547.31763	6.4
547.39880	100.0
548.40033	8.8
744.46503	22.2
745.41199	85.3
752.46924	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	745.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
61.02934	0.6
69.03413	0.7
79.05495	0.8
81.03429	0.4
81.07031	0.6
85.02897	1.3
91.55659	0.5
93.07050	0.6
95.04955	0.5
97.02893	0.5
98.23412	0.7
121.10127	0.5
133.10097	0.8
231.78140	0.6
249.08009	0.7
267.09055	4.5
285.09976	3.2
306.45563	0.5
309.10159	1.1
439.19934	0.7
469.20688	1.3
485.17038	3.9
501.22806	0.9
515.38202	0.5
517.21381	0.6
667.32941	4.4
677.28870	0.7
727.34827	1.3
745.34094	100.0
746.34497	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	745.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
57.03432	1.5
59.14204	0.5
61.02923	2.9
61.63207	0.5
61.97559	0.5
65.99528	0.5
67.05499	2.1
69.03421	1.6
69.07065	0.9
70.80938	0.6
71.01357	0.6
71.04989	0.8
71.50732	0.5
73.02907	1.3
79.05497	2.4
81.03429	2.4
81.07056	1.7
83.04968	1.0
85.02898	3.5
91.03919	1.0
91.05482	1.7
93.07045	2.4
95.08604	1.0
97.02907	2.5
97.06538	0.9
99.04476	0.7
101.02382	1.0
105.07030	1.6
105.54898	0.5
107.08613	1.0
109.02921	0.9
109.10139	0.7
119.08611	0.6
121.10091	0.7
131.08525	1.1
145.10107	0.9
147.11707	0.7
185.04198	1.1
243.08447	1.0
251.12657	0.6
267.09000	1.2
283.15198	3.8
299.62302	0.6
301.09027	3.9
315.10703	1.0
323.18457	0.9
373.11121	1.6
381.18851	1.6
385.18402	1.9
399.19965	1.3
413.17883	1.1
427.19458	2.0
441.20837	0.7
443.00665	0.6
465.28589	0.8
467.18820	0.6
469.20654	2.2
483.22287	0.9
485.19196	1.7
499.21136	2.2
499.74854	0.6
501.23065	7.6
529.22656	2.9
573.25073	1.9
585.29425	0.6
601.28552	0.9
613.31427	0.7
615.30731	0.6
641.31464	4.8
643.32904	1.6
655.27429	1.0
667.32990	1.2
673.33734	1.7
685.33258	0.7
687.34973	1.2
699.36285	1.4
713.32416	1.3
727.35040	4.3
728.36011	0.7
745.34631	100.0
746.35028	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	745.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	0.7
55.05468	0.7
57.03422	2.5
61.02920	5.2
67.05497	7.5
69.03423	3.1
69.07008	0.6
71.04955	1.1
73.02908	4.2
79.05430	1.7
81.03407	4.3
81.07041	2.9
83.04935	1.1
83.08573	1.1
85.02904	6.2
91.03949	3.6
91.05430	2.2
93.06986	2.0
95.04910	1.3
95.08557	1.1
97.02889	5.1
97.06466	0.8
99.04417	1.1
101.02368	2.5
102.01195	0.6
103.03926	0.8
105.06957	1.2
107.04872	0.5
107.08544	1.2
109.02812	1.2
109.10141	7.7
111.04395	0.6
111.08019	0.6
111.67958	0.6
115.03909	0.6
115.28888	0.5
119.08517	1.5
127.03854	1.8
129.06927	0.6
131.08502	0.8
133.10066	1.4
137.09613	0.7
147.11662	1.1
155.10648	1.0
157.10013	0.9
173.11716	3.3
175.11108	0.8
183.06454	0.6
185.04150	1.0
193.12141	0.8
195.09769	0.7
203.05110	1.1
211.13246	0.7
229.14270	1.9
243.08324	3.8
248.18861	0.5
251.12482	1.9
283.15292	1.3
301.08868	0.8
413.17731	14.2
469.20425	9.2
479.25598	0.7
485.19626	0.7
501.22937	2.1
517.21881	0.6
573.24823	0.6
641.31329	100.0
642.31683	6.8
673.33789	0.8
699.35376	1.8
727.34760	1.8
745.35138	39.3
746.35052	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	745.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01876	1.5
55.05495	0.8
57.03429	1.9
61.02917	3.4
67.05506	1.9
69.03431	2.3
71.04991	1.7
73.02928	2.8
79.05505	2.2
81.03414	3.5
81.07070	1.9
83.04990	0.7
85.02895	4.0
91.03972	2.1
91.05471	1.8
93.07043	1.3
95.04976	1.1
95.08603	0.8
97.02898	3.5
101.02374	0.7
105.07039	0.9
107.08578	1.0
109.02841	0.8
109.10122	0.6
117.05547	1.0
119.08600	0.7
121.10133	1.5
127.03970	1.3
129.05493	1.5
145.04977	0.8
147.11748	1.3
149.09674	1.0
175.11182	1.0
181.04654	1.0
185.04190	4.1
193.12134	1.0
201.03798	1.5
207.13492	1.0
217.88158	0.7
237.15009	0.6
243.08348	3.7
243.97829	0.6
249.85645	0.6
251.12509	0.7
265.14197	1.3
275.09637	0.6
283.15137	9.0
301.08884	12.0
309.16678	3.2
315.10510	3.5
317.08221	0.7
323.18353	2.9
339.17731	0.8
341.12091	1.4
343.13757	1.0
355.13538	0.8
357.15497	0.9
367.17105	0.9
373.11029	5.6
381.18875	5.2
383.16690	1.3
385.18283	8.2
387.12738	0.8
395.20502	0.8
399.20026	2.8
427.19376	8.4
429.17392	1.4
437.25113	1.0
439.19644	0.8
441.20895	0.9
444.19427	0.7
447.25671	0.7
457.20331	1.0
465.28046	3.5
467.18872	1.0
469.20227	4.3
471.73621	0.7
483.22003	1.8
485.19775	1.2
499.21585	4.4
501.23157	18.7
511.28735	2.0
516.22095	1.0
529.22552	15.9
530.22974	0.9
545.21985	2.5
548.80914	0.8
573.25244	9.6
583.30835	1.0
587.26782	2.5
601.28241	2.6
613.31897	2.5
614.31036	0.7
615.29663	2.0
620.29449	0.7
629.31665	1.0
641.31683	2.1
643.32776	5.3
657.34827	1.4
672.55225	0.8
683.35779	1.1
685.33557	0.9
695.31604	0.8
699.35571	1.2
727.34509	3.7
728.35602	0.9
745.35938	100.0
746.36310	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	745.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05515	1.2
57.03437	1.9
59.05001	0.8
61.02921	3.9
67.05492	4.2
69.03429	2.4
69.07087	1.6
69.74229	1.7
70.06592	0.9
70.59475	0.5
71.04996	1.9
71.80484	0.5
73.02914	3.2
79.05486	4.4
81.03413	5.5
81.07052	3.7
83.04985	1.6
83.08632	1.3
85.02898	5.0
87.04483	0.6
91.03964	2.1
91.05482	3.9
93.07037	3.4
95.05003	1.8
95.08615	1.6
96.08150	1.5
97.02870	5.2
97.06539	1.3
98.03226	0.5
98.23437	0.6
99.04477	0.8
101.02351	1.2
105.07007	2.6
107.04948	1.3
107.08621	1.5
109.02885	1.1
109.06532	0.7
109.10172	1.9
111.04437	0.7
119.08598	2.0
121.10110	3.0
127.03927	1.1
129.07016	1.3
131.08630	1.5
133.10182	1.5
135.11723	1.2
137.05971	0.6
137.09656	0.6
142.07895	0.5
145.10149	1.1
147.11766	1.4
149.09673	2.1
153.01848	0.9
157.10170	1.2
163.11255	1.9
165.12898	0.6
175.11275	1.0
185.04254	0.5
193.12245	1.3
211.13477	0.7
216.42778	0.5
243.08366	2.7
251.12540	0.6
267.09418	0.6
267.12112	1.8
267.15979	0.7
282.36636	0.6
283.15176	3.0
339.17914	0.6
441.17307	3.2
467.19135	0.6
469.20364	3.5
485.20044	5.4
499.21646	0.9
501.23019	10.0
501.29663	0.9
502.23428	0.8
641.31580	2.4
655.28693	1.7
699.35712	1.6
701.34076	1.7
713.33374	1.7
727.34619	2.8
745.35760	100.0
746.36053	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01872	0.5
55.05505	1.2
57.03440	1.5
61.02925	3.3
67.05157	0.5
67.05502	6.3
67.95813	0.4
69.03429	1.9
69.07068	2.9
69.36562	1.4
71.01337	0.4
71.04986	0.9
73.02905	2.7
78.77160	0.3
79.05492	3.8
81.03414	1.9
81.07054	6.5
83.04983	1.0
83.08617	1.0
85.02898	4.0
86.09715	1.1
87.04466	0.4
91.03961	2.3
91.05486	3.6
93.07043	4.3
95.04971	1.4
95.08594	2.5
97.02885	2.9
97.06516	0.9
97.10203	0.5
99.04464	0.9
101.02383	1.3
105.07018	3.3
107.04961	0.7
107.08587	2.7
109.02873	0.8
109.06510	0.4
109.10144	1.2
111.08097	0.6
111.23290	0.3
117.07009	1.1
119.08580	1.9
121.06487	0.4
121.10120	1.5
124.99986	0.8
127.03917	0.7
129.07024	0.4
131.08586	1.8
133.10144	2.4
135.08061	0.5
135.11740	1.0
144.88930	0.3
145.10158	0.7
147.11719	0.6
149.09671	0.6
149.13217	1.7
151.11311	0.4
157.10178	0.4
159.11708	0.8
161.13211	0.5
171.11763	0.3
179.14397	0.8
184.07329	2.6
195.13849	1.1
200.61728	0.3
223.02048	0.3
235.13097	1.1
243.08318	2.1
269.17545	0.5
275.20139	0.6
315.19278	3.5
335.26077	0.4
371.21906	0.8
386.69455	0.4
453.20908	8.7
453.26932	0.6
531.36133	0.4
533.27136	6.5
745.41211	100.0
746.41364	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	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82332	0.9
55.05490	1.3
57.02422	1.2
57.03431	2.4
61.02922	5.9
63.92799	1.2
66.33258	1.0
67.05499	5.0
69.00458	1.1
69.03419	3.6
73.02904	4.6
74.26354	1.0
79.05482	2.6
81.03425	2.6
81.07034	6.3
83.08611	1.0
85.02906	4.3
90.53905	1.0
91.03947	2.2
91.05484	2.8
93.07034	7.6
95.08593	4.8
96.34346	1.1
97.02885	4.3
98.23055	7.4
99.04465	1.6
101.02364	1.6
103.03960	1.8
107.08577	3.3
119.08555	2.4
121.10155	2.2
127.03888	1.5
131.08554	1.8
135.11653	5.5
145.10109	3.3
156.33707	1.1
163.11147	5.3
219.09886	1.3
227.12816	2.6
243.08441	2.7
249.11012	10.0
250.51343	1.1
305.13553	2.0
313.91934	1.1
467.18936	13.0
519.28857	6.1
745.41168	100.0
746.41199	8.9
772.31000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23243	1.7
55.05509	5.1
57.03424	5.3
61.02925	6.2
67.05498	9.3
69.03410	2.8
69.07060	4.0
69.65083	3.2
73.02905	3.5
79.05497	5.0
81.03410	6.5
81.03844	1.6
81.07040	7.8
83.08611	1.9
85.02911	4.5
91.03939	3.0
91.05489	4.1
93.07037	5.6
95.04945	3.5
95.08609	7.1
97.02885	4.7
98.23462	2.7
105.07031	3.9
107.08571	2.7
119.08593	3.3
121.10127	2.0
124.38314	1.7
129.07001	1.7
131.08627	2.2
133.10159	2.0
138.23610	1.6
138.75021	1.7
147.11699	1.6
155.86302	1.5
193.12231	3.9
211.13268	3.9
219.22321	1.6
283.57864	2.0
285.16940	5.7
286.17496	3.1
337.27344	6.9
338.27765	6.1
467.18973	7.3
519.29126	5.5
547.39697	3.3
548.40045	10.9
745.41144	100.0
746.41901	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01869	0.8
55.05511	1.8
57.03437	2.1
58.22093	0.2
59.04996	0.3
60.08160	0.4
61.02925	4.4
64.70239	0.2
65.03942	0.3
67.05502	5.9
68.05830	0.3
69.03429	2.7
69.07068	3.8
71.01342	0.5
71.04984	0.8
73.02917	3.1
76.33779	0.3
79.05488	4.6
81.03406	1.6
81.07050	7.0
83.04971	0.9
83.08602	1.4
84.53549	0.2
85.02898	3.0
85.06558	0.4
86.09695	2.8
87.04501	0.3
87.10058	0.4
88.42745	0.2
91.03946	2.1
91.05472	3.4
92.99941	0.3
93.07034	5.3
95.01340	0.4
95.04964	1.0
95.08591	2.9
97.02879	3.9
97.06532	1.2
97.10173	0.5
98.98499	0.3
99.04478	0.8
100.65100	0.3
101.02389	1.6
103.03931	0.2
105.07024	3.5
107.04979	0.9
107.08591	2.6
109.02886	0.7
109.06535	0.5
109.10157	0.7
111.08084	0.4
113.09617	0.4
117.07038	1.2
118.68045	0.2
119.08563	1.6
121.06512	0.3
121.10142	1.7
123.08079	0.5
123.11734	0.3
124.99993	2.0
126.00326	0.3
127.03917	0.9
129.07071	0.4
131.08568	1.3
133.10117	1.9
135.08044	0.5
135.11668	1.3
143.08586	0.3
145.04996	0.3
145.10127	0.8
147.11740	0.8
149.09599	0.6
149.13268	2.1
159.11662	1.6
161.13306	0.4
163.11171	0.3
170.85947	0.2
174.04683	0.3
177.12744	0.5
179.14267	0.7
179.40579	0.2
184.07326	9.0
185.04224	0.5
185.07674	1.3
185.13138	0.2
195.13847	0.4
203.05316	0.3
235.13124	0.8
243.08391	2.6
243.10634	0.3
269.17609	0.5
275.19919	0.7
280.14450	0.2
291.15787	0.3
315.19284	3.4
371.21695	1.2
374.81998	0.2
419.99069	0.3
453.20926	8.4
454.21710	0.3
482.23303	0.3
533.27161	7.0
594.58881	0.3
677.42578	0.3
745.41241	100.0
746.41547	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.94191	0.6
55.05490	1.5
57.03426	1.9
61.02919	7.0
67.05497	6.3
69.03413	4.3
69.07068	1.8
69.14057	5.0
71.01373	0.9
71.04995	1.2
73.02906	4.3
79.05477	3.7
81.03413	2.0
81.07051	7.5
81.33472	0.7
85.02907	4.6
85.51512	0.7
91.03930	4.6
91.05497	2.4
93.07035	6.0
95.04953	0.8
95.08608	6.6
97.02898	5.6
99.04462	1.1
101.02384	1.7
105.07060	2.0
107.08623	2.8
109.10151	1.7
119.08541	1.5
121.10181	2.6
123.11670	0.8
127.03920	1.5
135.11690	2.1
145.10187	1.6
163.11220	1.5
214.32661	0.8
227.12784	1.2
243.08472	2.3
249.10927	12.6
467.19019	4.5
519.29199	9.3
519.36066	0.7
533.36517	0.9
745.41205	100.0
746.41455	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	745.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05499	2.6
56.65453	0.9
56.78134	1.1
57.03432	3.0
61.02921	8.8
67.05511	6.9
69.03414	4.5
69.07077	1.8
69.64611	1.1
71.04979	1.3
73.02927	6.5
79.05498	5.3
81.03414	2.4
81.07058	7.9
83.08620	1.1
85.02894	8.4
86.61387	1.1
91.03947	4.1
91.05481	3.4
93.07037	5.5
95.08605	5.6
97.02878	7.7
98.23423	2.8
99.04455	1.5
101.02397	3.1
102.79898	1.1
105.07024	1.2
105.78898	1.0
107.08609	3.7
109.10172	2.8
119.08621	1.6
121.10138	2.9
127.03905	2.2
131.08531	2.1
135.11690	2.3
141.04648	1.2
145.10165	3.1
163.11168	1.3
179.38171	1.2
185.04207	1.4
188.08253	1.2
209.12166	1.2
243.08365	2.7
467.19043	4.0
519.29205	9.7
745.41180	100.0
746.41150	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	746.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82837	3.2
54.39800	3.3
58.84991	3.2
63.91993	3.5
70.50355	3.9
70.50698	5.6
79.05487	5.6
89.03902	6.6
90.19138	3.7
91.05466	11.7
95.04961	4.6
103.05457	65.5
105.07019	37.4
107.04961	7.0
115.05450	12.5
117.03360	15.3
119.04943	7.5
119.95448	3.4
130.04106	4.8
131.04910	100.0
133.06467	31.9
137.05956	42.6
141.58594	5.2
145.02827	32.3
147.04414	16.6
149.05952	6.6
151.03912	4.7
161.05957	65.2
162.06728	13.2
163.03883	5.0
163.07535	31.8
177.05431	63.2
187.29626	5.1
239.07048	4.2
263.06967	5.3
265.04895	9.2
281.07855	5.5
291.10062	5.3
297.11200	7.6
299.09253	5.4
308.06924	18.0
309.10953	4.7
323.09097	19.1
336.06339	5.6
351.08536	58.0
353.10049	5.9
483.14331	9.1
485.15768	7.1
501.15332	24.8
521.24432	5.0
529.14136	7.3
530.00415	4.8
531.16541	5.1
537.51746	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	746.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01863	1.6
55.05510	2.6
57.03422	1.8
59.25130	0.7
67.05492	7.0
67.88380	0.8
69.03422	5.7
69.07041	0.9
71.04977	1.3
78.39376	0.7
79.05478	7.4
81.03407	1.5
81.07039	4.0
81.18163	0.8
82.34987	0.7
83.04960	3.4
85.02892	4.7
88.12599	0.8
91.05465	4.0
93.07029	2.3
95.04951	5.2
95.08588	2.4
97.02868	2.5
97.06510	3.0
99.04440	9.5
101.02407	0.7
105.07015	8.3
107.04266	1.0
107.04939	10.8
107.08564	1.5
109.02900	1.8
109.06515	7.5
109.10142	33.5
109.10891	1.6
110.10452	0.7
111.04417	4.6
115.05407	0.7
117.07002	2.3
119.08566	9.0
121.06466	1.8
125.05962	1.4
127.03880	3.9
128.06200	4.0
129.06964	2.0
131.08522	1.0
133.06459	1.4
133.10104	10.6
135.08086	0.8
137.09598	63.9
138.09946	1.1
143.06949	0.9
143.07330	0.9
143.08549	13.5
145.04939	1.2
145.06477	1.5
145.10110	2.7
146.07245	2.8
147.08029	14.8
151.03848	0.9
153.01782	1.1
161.09592	100.0
162.09908	3.1
163.11172	5.1
165.09093	82.7
166.09415	2.2
171.08023	2.6
174.06718	1.5
178.23705	0.8
179.10670	7.7
180.11115	0.8
184.91920	0.8
187.28542	0.7
189.09071	19.7
197.11609	1.7
207.10136	87.6
208.10381	3.7
220.18102	0.8
225.11177	48.1
226.11571	1.6
243.12166	1.9
261.79218	0.7
273.85007	0.8
349.72363	0.8
351.14349	1.3
369.15295	2.6
387.16431	67.0
388.16788	4.0
404.99350	0.9
756.53271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74644	0.9
58.31543	0.7
61.51799	0.7
62.66426	0.6
63.02381	0.9
69.93101	1.5
69.93471	1.3
77.29727	0.6
77.34153	0.6
85.37955	0.6
89.03908	6.9
90.51837	0.8
103.05460	14.1
117.03371	22.8
125.20789	0.7
131.04918	31.5
134.03632	1.1
135.04401	1.2
137.06000	1.3
141.99326	0.7
143.34810	1.0
145.02831	55.9
146.03195	1.4
149.05972	7.0
163.07541	10.5
175.91217	0.7
177.05447	100.0
178.05809	2.3
186.05492	2.5
357.13278	36.3
357.17715	1.8
358.13882	1.0
394.93289	0.8
470.22717	0.8
746.40314	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01859	2.4
55.05511	2.8
55.67044	0.7
64.48501	0.8
67.05498	3.2
67.98566	0.8
69.03425	6.8
69.07059	11.6
71.01353	1.0
71.04980	2.8
71.43528	0.9
79.05474	7.9
81.03406	5.8
81.07045	5.7
83.04968	9.5
84.04657	0.8
85.02911	5.2
91.05470	6.2
93.07043	7.7
94.04172	2.9
95.04959	8.3
95.08608	2.2
97.02892	2.7
97.06521	19.9
99.04440	7.8
103.05456	1.5
105.07017	15.3
107.04940	4.8
107.08569	6.3
109.02858	3.0
109.06494	4.9
111.04477	0.9
113.05981	2.2
115.05412	1.6
117.07051	4.0
119.04919	2.1
119.08563	3.6
121.06483	15.8
121.10123	1.5
122.03625	7.0
123.07998	0.8
125.05979	16.9
127.03912	2.9
129.07014	2.5
130.00830	0.7
130.07764	1.2
131.04892	2.4
131.08565	4.5
133.06488	4.1
133.10112	2.4
135.04393	2.0
135.08020	2.2
135.11662	2.4
137.05959	100.0
138.06300	2.5
141.06987	1.3
143.07018	12.9
143.08513	4.3
144.09311	1.2
145.06429	5.4
145.10104	29.0
147.04408	1.1
147.08026	1.8
147.11684	2.2
149.05959	2.1
149.09567	1.2
151.03850	1.4
151.07520	2.6
153.01831	1.4
153.06963	1.3
154.07756	1.8
155.08554	2.8
157.06433	1.4
157.10127	1.8
158.07271	3.2
159.08067	4.4
159.11673	9.2
161.06013	2.1
161.09628	1.9
163.07532	2.8
163.11156	16.9
163.12434	1.5
167.07042	2.0
167.08545	1.1
169.10114	5.5
171.08025	1.4
171.11674	1.0
172.08830	2.1
173.09601	26.6
175.07545	13.2
177.05475	0.8
177.09064	1.1
177.12718	1.5
179.07072	0.8
179.08557	1.1
181.04938	1.1
181.06436	0.8
181.12292	1.6
182.07300	0.9
183.08043	1.4
185.09560	0.9
187.07622	4.7
187.11165	17.2
189.05458	1.4
189.09088	3.3
189.12604	0.9
191.07057	1.3
191.10617	6.5
193.08517	1.0
195.08060	2.5
197.09634	3.5
199.07619	0.9
199.11206	1.5
201.09076	2.7
203.10542	1.3
205.08563	0.8
205.12190	13.3
209.09770	1.0
215.10643	16.7
219.10107	1.1
221.09753	0.8
227.10646	3.9
227.12700	1.4
229.12225	2.4
233.11688	26.5
239.10608	1.3
241.12251	1.3
243.10011	1.5
245.11760	1.4
251.10576	0.8
251.12775	13.7
253.12172	1.6
255.10202	2.4
257.11755	2.9
269.11627	2.6
269.13873	2.6
273.11240	1.6
275.12692	6.4
279.12283	3.4
287.12781	1.8
293.13913	4.5
299.16510	1.2
309.14615	1.9
317.13812	1.1
323.16299	1.7
327.15903	1.9
341.13773	1.7
341.17563	2.5
343.18988	3.1
345.17093	1.1
351.15793	4.7
352.48666	0.9
359.14758	2.5
359.18643	1.4
369.16843	9.2
377.15891	2.9
387.17874	2.7
395.17111	4.2
413.18039	7.9
526.72705	0.8
638.78510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05028	0.9
57.03437	0.3
58.06605	0.4
60.08156	6.2
67.05505	0.6
69.07056	0.3
71.07367	3.9
79.05470	0.6
81.07043	0.8
86.09698	33.0
87.10040	0.3
87.11967	0.2
91.05458	0.8
93.07030	0.7
95.08593	0.2
98.98454	3.7
104.10734	2.4
105.07003	0.3
107.08581	0.5
119.08580	0.3
124.99992	21.2
135.11685	0.2
143.01016	0.4
184.07321	100.0
185.07703	1.1
229.88936	0.2
239.16220	0.2
269.17545	0.2
287.16019	0.2
292.17484	0.2
728.44897	9.7
729.44965	1.0
746.39978	0.2
747.38702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52740	0.9
53.03944	2.7
55.01885	1.6
55.05507	26.6
57.03436	14.6
57.07074	8.1
61.02933	2.8
65.03946	1.8
67.05501	29.4
67.05861	1.7
68.62328	1.0
69.03423	3.9
69.07063	31.3
69.22335	6.0
71.04975	3.1
71.08633	3.4
79.05482	25.0
81.03411	47.7
81.07050	36.0
83.04977	13.4
83.08611	32.9
85.02897	21.3
85.06522	2.5
85.10170	1.2
91.03961	2.1
91.05470	21.4
93.07041	18.9
95.04960	19.6
95.05524	1.4
95.08601	25.2
97.02874	5.3
97.06556	4.9
97.10170	13.1
98.22757	2.0
99.08121	2.1
105.07029	17.5
107.04964	4.4
107.08601	8.4
109.06516	3.2
109.10146	7.5
111.04456	2.2
111.08082	8.2
111.11710	2.8
113.06013	1.5
116.54822	1.0
119.08560	11.5
121.06502	1.5
121.10139	13.6
123.08053	2.2
123.11697	2.6
125.09699	1.4
126.52199	1.1
127.17104	1.0
129.07001	8.0
131.08557	8.2
133.06488	1.7
133.10095	9.2
135.11710	3.9
137.09613	1.0
142.07788	2.5
145.10078	1.2
147.11682	10.7
149.09618	3.3
149.13255	3.1
151.14864	1.3
157.10101	10.1
165.12785	2.6
175.11168	10.5
183.09996	1.1
184.07341	2.2
193.12213	32.3
195.00351	1.3
211.13274	61.6
212.13661	1.8
215.75066	1.3
265.25275	3.5
267.15881	16.8
285.16940	73.2
286.17282	1.8
339.28888	76.9
340.29309	3.2
348.21072	1.0
457.36969	1.2
490.55319	1.0
531.40436	13.4
532.40686	1.3
549.41449	100.0
550.41803	6.8
746.44006	2.9
747.41260	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	747.3765
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03935	0.7
53.88009	0.4
55.01873	0.4
55.05497	0.9
57.03438	1.6
59.04992	1.0
61.02920	4.1
67.05502	2.4
69.03429	2.7
69.07064	1.2
69.30081	1.9
69.30481	0.8
71.04987	1.4
73.02902	3.0
78.02129	0.4
79.05482	3.4
81.03413	5.2
81.07046	3.0
83.08618	1.0
85.02901	4.3
91.03960	1.8
91.05457	3.3
93.07037	3.2
95.04990	1.6
95.08615	1.1
97.02869	4.4
97.06553	0.6
99.04446	0.7
101.02374	1.8
102.57875	0.4
105.07040	1.9
107.08614	1.6
109.02814	0.5
109.06531	0.5
119.08562	1.1
121.10124	3.3
123.08034	0.5
124.52184	0.5
127.03965	0.6
129.06931	0.9
131.08549	2.1
133.10120	1.0
139.11234	0.8
147.11713	1.3
149.09612	2.1
157.10126	1.3
175.11203	0.5
179.10901	0.5
191.19948	0.4
193.12202	2.2
211.13351	0.5
225.14819	0.5
243.08337	2.2
251.12697	0.8
253.14037	0.6
267.15970	1.0
269.13605	0.8
278.87149	0.5
283.15158	3.0
323.48492	0.4
339.18030	0.7
425.18265	0.6
443.18896	5.8
444.19183	0.7
469.20407	2.6
471.91977	0.4
487.21393	5.9
501.23019	11.5
703.34766	1.9
729.36603	1.7
747.37646	100.0
748.37683	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	747.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.01866	0.9
55.05500	2.7
57.03432	1.3
60.08166	0.6
61.02923	3.7
64.42948	0.4
65.53215	0.4
67.05489	4.4
69.03423	2.4
69.07059	2.4
69.14533	0.4
71.04982	0.6
73.02911	2.6
74.21246	0.4
79.05485	3.9
81.03400	2.8
81.07044	2.7
83.08621	0.7
85.02901	3.2
86.09724	2.4
87.04451	0.5
91.03959	1.5
91.05486	2.4
93.07031	3.9
95.04971	1.3
95.08616	1.2
97.02893	4.0
97.06535	1.0
97.10181	1.8
98.98488	0.5
99.04456	0.7
99.51272	0.4
101.02398	1.6
105.07043	1.4
107.08581	2.8
109.02902	0.8
109.10159	0.9
119.08604	1.0
121.10201	1.0
121.25195	0.4
123.08062	0.5
124.99969	2.2
125.09654	1.2
127.03921	0.9
128.52261	0.4
129.07080	0.5
131.08463	0.5
133.10123	0.8
135.08096	0.6
135.11691	3.4
140.07877	0.4
145.10136	0.8
147.07982	0.4
163.11240	0.7
184.07324	8.9
184.08846	0.6
185.04204	0.9
185.07762	0.7
199.93954	0.5
203.05347	0.4
221.11473	0.6
223.13396	1.3
243.08374	3.3
255.16127	0.6
257.96228	0.4
291.19641	1.9
301.09052	0.5
306.89432	0.5
331.18802	1.7
387.21341	0.6
429.17584	0.4
439.19299	8.8
440.19522	0.7
549.26508	4.9
550.26874	0.7
640.20160	0.6
711.44678	0.5
728.79071	0.5
747.39124	100.0
748.39392	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	747.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
53.92838	0.4
54.03798	0.4
54.43387	0.4
55.01867	1.0
55.05499	2.2
57.03432	2.5
60.08158	0.5
61.02922	5.7
63.79419	0.4
66.14713	0.4
67.05495	6.8
68.05819	0.4
69.03421	3.9
69.07061	2.5
71.01342	0.6
71.04980	1.0
71.07371	0.5
73.02918	3.9
73.81080	0.4
79.05487	5.4
81.03417	2.6
81.07053	5.0
83.08621	1.1
85.02910	5.8
85.80005	0.4
86.09691	3.7
86.53798	0.4
91.03946	4.0
91.05473	4.6
93.07040	5.5
95.04949	2.5
95.08591	3.0
97.02879	4.4
97.06529	1.8
97.10158	1.1
98.23499	1.1
99.04440	0.6
101.02395	2.1
103.03958	0.6
105.07011	2.6
107.04936	0.7
107.08572	3.9
109.02867	0.9
109.06529	0.5
109.10125	2.1
111.08090	0.8
113.06010	0.5
115.03894	0.5
117.07012	1.1
119.08569	1.7
121.06477	0.8
121.10150	1.6
122.82664	0.4
123.11697	0.5
125.00000	2.9
127.03892	2.2
129.07016	0.4
131.08537	1.4
133.10118	3.4
134.64705	0.4
135.08052	0.7
135.11673	4.4
136.12054	0.5
137.09660	0.4
143.08594	0.9
145.10120	1.3
147.08105	0.5
147.11670	1.0
149.09686	0.5
151.11191	0.9
159.11745	0.9
161.09631	0.6
163.11172	1.1
175.11174	0.7
181.12199	0.9
184.05685	0.7
184.07321	11.3
185.04230	1.0
185.07610	1.0
188.17279	0.4
193.12280	1.1
221.11552	0.9
243.08383	3.3
246.44017	0.4
255.15843	0.6
270.74399	0.4
277.14151	0.8
295.77576	0.4
301.08942	0.7
313.17557	0.9
315.10556	0.7
331.18701	2.7
355.13562	0.5
357.14923	0.5
369.19958	0.5
373.10965	0.5
439.19366	10.7
440.20026	0.5
451.19226	1.0
453.20837	1.2
511.21344	1.9
525.23059	0.6
531.25714	1.5
535.28784	1.0
549.26599	2.8
635.29822	0.6
649.31604	2.7
678.32245	0.9
719.51160	0.5
729.38043	10.5
744.66272	0.5
747.39233	100.0
748.39490	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
55.15868	0.4
57.03437	2.9
61.02919	5.3
61.64765	0.4
63.17785	0.5
67.05505	4.4
69.03419	3.6
69.07069	1.4
69.68163	1.0
69.68526	0.8
73.02911	3.6
76.10614	0.4
79.05487	3.0
81.03426	2.4
81.07046	4.8
83.08643	0.8
85.02894	5.8
89.98596	0.4
91.03952	3.3
91.05447	2.2
93.07050	3.7
95.04962	1.2
95.08605	3.6
97.02890	4.3
97.06497	0.5
98.22659	0.8
99.04421	0.7
101.02387	1.6
105.07060	1.8
107.08604	1.3
109.02872	0.7
109.10158	2.0
119.08598	1.5
121.10151	1.3
127.03933	1.6
131.08568	0.9
133.10081	0.6
147.11671	0.7
149.13249	0.7
166.01889	0.5
175.11179	0.6
190.33687	0.5
193.12238	0.4
210.57980	0.5
243.08430	1.8
251.12349	0.6
261.80103	0.4
322.34723	0.5
335.25958	0.6
469.20493	3.4
519.29254	6.7
520.29773	0.6
632.98822	0.6
747.42767	100.0
748.43243	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	747.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05508	1.1
57.03437	2.0
60.31958	0.5
61.02929	7.3
65.03925	0.5
65.92721	0.5
67.05500	5.1
69.03420	3.9
69.07062	1.5
69.13464	2.3
71.04999	1.0
73.02913	5.1
74.33567	0.4
79.05484	3.2
81.03407	3.5
81.07047	4.8
83.08627	1.4
85.02898	6.1
85.06537	0.5
91.03948	3.9
91.05473	4.3
93.07033	4.0
95.04977	1.6
95.08607	3.9
97.02885	5.9
99.04490	1.1
101.02395	2.2
105.07031	2.1
107.08598	1.4
109.02890	1.0
109.06504	0.9
109.10166	1.1
113.06101	0.6
115.03962	0.6
117.07020	0.5
119.08593	1.4
121.10152	1.6
127.03948	2.0
131.08612	1.5
133.10132	1.0
147.11737	1.1
149.09602	0.8
157.10144	0.7
161.13214	0.5
164.44434	0.5
175.03712	0.6
175.11230	0.7
185.04228	1.2
193.12299	1.5
194.68945	0.5
211.13217	0.7
241.72412	0.6
243.08324	2.6
251.12556	0.9
277.25095	0.5
307.15054	0.7
331.76349	0.6
335.25885	0.9
365.83551	0.5
469.20404	7.9
470.20642	0.7
519.29279	5.6
569.61517	0.6
747.42780	100.0
748.43195	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01865	0.7
55.05504	1.6
55.96143	0.3
57.03424	1.8
61.02914	5.7
67.05499	5.0
69.03420	3.7
69.07063	3.1
69.07487	1.1
71.01338	0.5
71.04975	0.4
73.02908	3.9
76.78547	0.3
79.05490	4.7
81.03391	1.7
81.07056	6.7
83.08623	1.3
85.02886	4.5
86.09694	0.5
87.04452	0.4
91.03947	3.1
91.05459	3.3
93.07035	5.0
95.04965	1.5
95.08600	2.7
97.02877	4.5
97.06533	0.5
98.23454	0.5
99.04429	0.9
101.02355	1.7
103.03943	0.4
105.04525	0.4
105.07008	2.2
107.08580	3.1
109.02857	0.4
109.10145	1.2
111.08104	0.4
117.07017	1.3
119.08562	2.2
121.10158	1.6
123.11704	0.5
125.00000	0.5
127.03894	2.1
129.06989	0.4
131.08585	1.3
133.10139	2.6
135.11696	1.4
136.64838	0.3
145.10110	0.5
147.11691	1.0
149.13275	1.3
156.37114	0.4
157.10229	0.5
159.11670	0.8
161.13246	0.7
171.11617	0.4
184.07327	2.4
185.04239	1.0
185.07739	0.4
195.13802	0.8
203.05228	0.7
235.13069	1.3
243.08365	3.4
259.07880	0.4
259.20657	0.8
269.17566	0.9
291.15768	0.5
301.09067	1.3
313.08997	0.4
315.10492	0.7
317.20837	0.5
371.16849	0.5
373.11014	0.7
423.20084	0.5
453.20898	10.0
453.26852	0.8
454.21173	0.8
465.21008	0.5
488.91769	0.4
525.23206	1.2
533.96240	0.4
535.28729	5.8
609.31683	0.6
641.21246	0.4
747.42780	100.0
748.43170	9.9
748.56622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29042	1.3
61.02924	3.2
67.05502	4.8
69.45551	4.5
73.02923	3.2
79.05493	3.0
81.07069	4.7
85.02898	3.9
91.03979	1.8
91.05457	3.0
93.07050	3.2
95.08595	2.6
97.02902	4.0
105.07035	1.9
109.02938	1.4
119.08602	2.8
122.51728	1.5
133.10149	1.4
142.78708	1.5
145.03001	1.2
157.50787	1.6
174.25830	1.4
243.08363	2.8
254.75888	1.4
453.21014	7.5
535.08160	1.5
535.28931	5.3
654.53595	1.6
747.42725	100.0
748.43170	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	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
58.55550	0.8
59.42308	0.8
61.02923	4.4
67.05506	4.3
69.03435	2.6
69.07076	0.8
69.20231	3.7
73.02905	2.6
79.05500	3.5
81.03439	4.8
81.07059	3.6
83.08604	2.2
85.02891	5.3
91.03960	2.7
91.05477	1.8
93.07043	3.2
95.08607	2.4
97.02884	3.4
97.10126	0.9
101.02404	1.7
103.04059	0.9
105.07030	1.1
107.08569	1.6
121.10157	1.3
127.03973	1.1
147.11713	1.4
184.07132	1.3
193.12233	1.6
196.67313	0.9
211.13339	1.4
243.08409	2.5
251.12566	2.8
398.37759	1.0
469.20340	7.7
519.29144	4.7
747.42773	100.0
748.42981	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	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.44273	0.9
55.05512	1.3
57.03428	2.3
61.02921	5.5
67.05502	4.9
69.03434	2.7
69.07076	1.6
69.88163	1.9
69.88531	1.7
73.02921	3.7
79.05489	2.7
81.03417	3.7
81.07056	2.7
83.08621	1.6
85.02908	6.1
91.03937	2.2
91.05492	2.4
93.07067	3.2
95.08599	2.6
97.02871	4.7
99.04477	1.3
101.02406	1.8
101.24416	1.0
105.07070	1.1
107.08609	2.2
109.10141	1.5
119.08620	0.9
123.54663	0.9
127.03920	2.3
133.10123	1.2
140.59203	0.9
144.87947	0.8
145.10081	1.0
146.70197	0.9
196.26889	0.9
243.08466	1.8
251.12654	3.4
260.30682	0.9
335.25763	1.1
347.96564	0.9
469.20746	4.0
519.29352	7.8
714.16614	0.9
715.85913	1.0
747.42737	100.0
748.43097	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	748.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02433	0.5
69.75747	1.8
72.87169	0.5
79.05477	0.6
89.03904	9.5
91.05467	1.8
94.04158	0.5
95.04960	0.7
98.23406	0.7
103.05456	10.5
105.07022	2.2
106.04149	0.6
107.04935	1.1
114.24554	0.5
115.05383	0.6
117.03363	23.5
118.03652	0.6
121.06495	0.7
131.04913	17.3
133.06482	1.4
134.03613	1.3
135.04361	2.3
137.05975	3.6
145.02829	51.9
146.03267	0.8
147.04346	0.7
149.05956	8.3
155.45052	0.5
161.05994	3.9
163.03871	0.7
163.07547	5.2
175.07565	1.0
177.05446	100.0
178.05774	2.9
186.05460	1.2
187.07513	1.0
189.05472	1.7
231.06404	0.6
239.25449	0.6
297.11243	0.5
325.14255	0.7
337.10715	0.7
364.19910	0.5
395.14838	0.8
405.57471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40678	0.6
61.04292	0.6
70.55321	1.1
89.03904	10.4
91.05466	2.0
95.04973	1.0
98.23242	0.7
103.05460	12.2
105.07013	2.9
107.04963	1.7
109.40263	0.6
115.05448	1.2
117.03368	25.4
117.04195	1.4
121.06435	0.7
131.04910	22.5
133.06465	2.7
134.03622	1.9
135.04408	1.3
137.05948	3.8
145.02832	55.9
146.03181	0.9
149.05960	7.7
161.05972	7.9
162.06760	1.1
163.03816	0.8
163.07538	6.8
175.07544	0.8
177.05450	100.0
178.05811	2.0
186.05435	0.9
189.05440	1.8
201.09122	1.0
235.07457	1.1
293.11520	0.8
307.95667	0.7
325.14267	0.8
337.10181	0.7
343.00543	0.8
395.14905	1.7
686.71454	0.7
737.69708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70710	0.5
67.05498	1.9
79.05488	0.9
81.07053	1.4
86.09718	0.7
93.07075	0.9
94.09075	0.6
95.08618	0.6
105.07023	0.8
109.10132	0.7
133.10146	0.9
149.29878	0.6
184.07343	1.2
209.57707	0.6
240.18565	0.6
270.00073	0.7
293.05508	0.6
455.17117	0.9
472.69983	0.7
473.16364	0.7
551.26196	0.9
749.38629	100.0
750.39117	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	749.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
53.58023	0.3
54.04779	0.3
55.01856	0.5
55.05513	1.9
57.03430	2.2
57.07056	0.4
61.02919	4.4
61.54249	0.3
65.03928	0.4
67.05499	7.3
69.03420	2.7
69.07057	2.0
71.01360	0.6
71.04974	0.9
71.18587	0.5
73.02910	3.1
79.05487	5.1
81.03407	2.0
81.07050	5.4
83.04985	0.9
83.08612	0.8
85.02899	4.7
87.04430	0.3
91.03957	2.6
91.05461	3.8
93.07040	5.2
95.04958	1.7
95.08578	1.9
97.02880	4.0
97.06530	1.3
97.10166	1.3
99.04448	0.9
101.02353	1.4
103.03947	0.5
105.07029	1.6
107.04935	0.6
107.08584	3.7
109.02862	0.9
109.06519	0.4
109.10143	1.8
111.08092	0.4
117.06989	0.8
119.08591	1.3
121.06524	0.4
121.10149	1.2
125.09618	0.7
127.03919	1.2
131.08594	1.0
133.10138	1.2
135.11671	4.8
137.09650	0.3
145.10147	1.1
147.11688	0.4
149.13249	0.4
157.10176	0.4
159.11749	0.4
163.11229	0.7
173.11777	0.5
173.13297	0.3
181.12138	0.6
184.07399	0.8
185.04283	0.4
203.05399	0.3
221.11534	1.3
229.14337	1.5
243.08324	2.2
255.16010	0.5
277.14175	0.4
279.31409	0.4
333.20297	1.7
383.24326	0.6
413.17776	0.4
439.19354	11.2
440.19620	0.7
453.20996	1.1
469.20602	0.7
517.33679	0.4
551.28265	3.7
587.35815	0.5
651.33069	0.8
749.40686	100.0
750.41187	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	749.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01865	0.7
55.05500	1.5
55.84021	0.3
57.03442	2.1
59.19666	0.3
61.02921	4.4
67.05500	5.5
69.03429	3.1
69.07050	2.2
71.01338	0.5
71.04990	0.9
71.80053	0.3
73.02908	3.4
79.05485	5.3
81.03408	2.2
81.07042	3.9
83.04987	1.4
83.08620	0.7
85.02901	3.7
85.06531	0.4
87.04432	0.4
87.10973	0.3
91.03946	2.5
91.05474	2.6
93.07036	5.2
95.04945	1.1
95.08609	1.9
97.02873	3.9
97.06538	1.0
97.10184	0.9
99.04444	0.7
101.02380	1.2
105.07050	1.6
107.08587	3.2
109.02889	0.6
109.06554	0.4
109.10141	1.2
117.07040	1.0
119.08576	0.9
121.10126	0.8
125.09636	0.4
127.03922	1.0
131.08562	0.5
133.10147	1.0
135.08141	0.4
135.11670	4.3
135.12633	0.6
145.10068	0.8
147.11623	0.4
162.11171	0.4
181.12262	0.6
185.04172	0.5
221.11476	1.1
229.14374	0.4
243.08351	2.9
277.14285	0.6
283.52649	0.4
333.20438	2.0
333.23898	0.4
439.19327	10.8
440.20181	0.8
453.21152	0.9
551.28156	4.4
587.35394	0.4
663.00140	0.4
749.40674	100.0
750.40948	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	749.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05515	4.6
57.03429	2.7
61.02928	3.5
63.47882	0.6
67.05499	6.9
67.05822	0.9
69.03429	3.6
69.07047	3.4
70.53879	1.2
71.04991	1.6
73.02914	3.0
79.05486	7.8
81.03431	3.1
81.07066	5.3
83.04976	1.3
83.08626	2.2
83.47392	0.6
85.02905	3.9
86.09711	2.7
91.03970	2.1
91.05461	5.3
92.49748	0.7
93.07037	5.8
93.07549	0.8
95.04980	2.4
95.08618	2.2
97.02866	3.4
97.06563	1.4
97.10176	4.8
99.04463	1.4
101.02386	2.2
105.07045	3.1
107.08598	4.5
109.02858	1.0
109.10159	2.4
117.07042	1.0
119.08582	2.2
124.99982	0.8
125.09619	4.0
127.03919	1.2
129.07033	1.1
131.08650	1.3
133.10115	1.3
135.11649	3.5
137.09644	0.7
143.08557	0.7
145.06479	0.7
145.10146	1.6
147.11774	1.2
153.09189	0.7
159.11804	0.9
163.11211	1.0
184.07317	4.8
185.04367	1.1
185.07661	1.1
186.07988	1.0
189.11263	1.3
221.11560	1.1
227.12906	0.8
229.14359	1.4
243.08290	3.5
267.15982	1.0
275.20035	1.6
281.17398	1.2
304.94125	0.7
333.20438	5.1
363.32126	0.7
389.23251	1.0
399.13135	0.8
439.19342	7.3
455.19083	0.7
511.21454	0.8
539.24414	0.8
551.28448	7.0
555.37390	0.9
749.40704	100.0
750.41125	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	749.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
53.10255	0.5
53.88730	0.5
54.52358	0.5
55.01872	1.1
55.05505	2.0
56.47104	0.4
57.03447	2.7
57.07065	0.6
60.08112	0.6
61.02919	6.1
67.05498	7.4
69.03429	3.9
69.07051	1.6
71.01360	1.0
71.04979	0.9
71.41650	0.5
73.02921	4.6
77.12159	0.5
78.22791	0.5
79.05484	7.9
81.03408	3.4
81.07059	6.0
83.04971	1.5
83.08624	2.1
85.02904	6.1
86.09702	2.8
91.03960	3.1
91.05479	5.0
93.07043	8.6
95.04974	3.2
95.08593	3.0
97.02898	4.8
97.06530	2.3
97.10149	0.9
99.04462	1.1
101.02387	2.8
102.97014	0.5
103.03954	0.7
105.04579	0.6
105.07025	3.7
107.04963	0.6
107.08595	4.4
109.02863	1.1
109.06504	0.8
109.10120	1.0
111.08079	0.5
117.07021	1.6
119.08562	2.8
121.10170	1.1
125.00023	1.4
127.03915	1.8
129.05518	0.6
129.07004	1.4
131.08502	0.6
133.10150	2.1
135.11682	4.8
137.09587	0.5
141.49950	0.5
145.05034	0.7
145.10146	1.6
147.11717	2.6
149.13268	0.5
161.09676	0.5
161.13264	1.0
171.11748	1.6
184.07327	5.8
185.04291	1.3
185.07678	0.9
207.13846	0.9
221.11504	2.7
243.08379	4.0
247.13138	1.7
255.15991	1.0
261.14487	0.7
277.13815	0.6
301.09009	1.0
373.11163	0.6
439.19373	16.8
440.19882	1.7
453.20987	0.7
455.18945	0.7
465.20990	17.2
466.21320	1.1
483.27664	0.7
494.21002	0.6
501.27817	1.2
505.23975	1.1
511.21661	1.3
533.27283	2.3
537.23364	0.7
551.27997	3.4
593.29089	0.8
633.32672	2.5
651.33551	3.6
663.33435	100.0
664.33765	9.7
677.34821	0.6
703.36420	3.3
731.39618	10.6
732.40271	1.1
749.40430	33.9
750.41150	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	749.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
55.47468	0.9
57.03418	3.5
61.02924	6.6
65.87521	1.0
67.05502	6.8
69.03419	3.5
69.07065	2.7
71.04952	1.0
72.38335	1.0
73.02907	5.0
79.05480	3.3
81.03423	3.9
81.07048	7.3
83.08630	2.3
83.62549	1.0
85.02901	7.8
85.10226	1.0
91.03951	4.4
91.05464	2.5
93.07040	1.7
95.04953	1.0
95.08599	4.6
96.66344	1.0
97.02892	7.1
98.23073	6.8
101.02367	1.8
105.07020	1.7
107.08616	1.2
109.02862	1.5
109.10175	2.1
119.08509	1.2
121.10169	1.3
121.32288	1.1
122.47884	1.0
133.10126	1.6
147.95663	1.0
164.66476	0.9
243.08569	1.9
296.07974	1.0
469.20566	5.1
509.63239	1.2
521.30853	8.5
638.83423	1.1
691.39801	2.3
749.44281	100.0
750.44519	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	749.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02079	1.3
57.03433	3.5
59.65516	1.3
61.02922	6.8
67.05505	8.8
67.05815	1.4
69.03423	4.4
69.07068	2.0
71.04991	2.1
73.02921	5.9
79.05489	3.1
81.03413	4.4
81.07053	5.1
85.02899	7.4
91.03965	5.0
91.05479	3.3
93.07054	3.1
95.08606	7.0
96.03125	1.3
97.02881	6.8
107.08606	2.8
108.08783	1.4
109.10175	3.7
109.99949	1.5
118.23809	1.9
119.08586	1.6
121.10147	2.4
127.03911	2.6
129.70718	1.4
243.08411	3.0
253.14017	1.6
342.75879	1.6
418.46964	1.8
469.20453	2.3
471.22318	2.5
519.29266	6.7
673.49945	1.7
749.44312	100.0
750.44885	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	749.444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.05500	1.9
57.03445	2.0
61.02919	5.8
67.05504	4.7
69.03430	4.0
69.07066	1.5
71.05000	1.3
73.02919	3.2
79.05511	2.6
81.03410	5.3
81.07053	4.6
83.08632	2.2
85.02892	5.0
87.04456	1.1
91.03960	2.5
91.05489	2.7
93.07040	3.0
95.04989	1.9
95.08614	4.3
97.02901	5.6
97.72859	0.9
98.22937	5.8
101.02387	2.0
105.07037	1.4
109.02882	1.4
109.10195	1.2
121.10139	1.4
127.03942	1.5
133.10185	1.7
147.11681	1.8
188.71236	0.9
193.12263	2.2
211.31744	1.0
243.08493	1.7
251.12619	1.4
267.15765	1.1
427.06180	1.1
469.20544	7.2
521.31055	3.3
691.40363	3.2
749.44342	100.0
750.44745	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	750.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11074	3.4
70.42477	7.8
89.03898	9.6
95.79717	3.8
98.23141	9.5
101.96493	3.9
103.05444	21.2
103.30473	3.3
105.07041	8.9
117.03394	19.9
122.03691	4.1
131.04930	36.0
132.21339	3.8
133.06470	8.0
137.05972	64.5
145.02831	57.2
147.04326	4.7
149.05908	7.9
161.05962	9.7
163.07614	8.7
177.05466	100.0
177.09175	4.2
189.05699	5.1
201.05415	19.0
206.07294	5.8
231.16365	4.3
234.06635	6.9
250.06335	4.4
262.06244	5.8
263.07016	5.3
265.08484	9.2
277.08618	10.5
279.06726	4.0
290.05597	8.4
293.07922	6.9
294.08908	4.6
305.07935	12.3
307.09616	13.5
325.10693	46.2
337.10675	28.0
339.12491	8.5
349.10489	5.0
355.11612	5.0
467.29761	3.9
485.15811	6.2
529.88031	4.2
561.20886	6.9
751.24976	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	750.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91867	4.3
85.82269	1.3
89.03918	10.4
91.05466	4.3
105.07017	2.2
117.03370	22.9
119.04951	7.9
122.44469	1.6
133.02824	8.7
137.05994	13.1
145.02832	58.5
147.04408	6.3
149.05951	12.3
150.06732	2.1
151.07555	1.7
159.65082	1.5
161.05954	5.2
162.06734	2.9
162.26602	1.8
173.06001	2.6
175.03871	5.6
177.05453	100.0
178.05870	2.6
179.06976	5.6
186.03146	1.7
193.08589	3.4
201.05437	21.6
219.08134	2.1
219.55128	1.8
233.05923	2.3
247.07372	1.7
249.09146	1.5
256.77234	1.4
265.08527	2.7
277.08759	2.6
279.10190	2.7
292.07288	1.6
293.08081	3.4
325.10736	10.2
333.11325	1.7
337.10687	7.1
355.11777	22.4
365.13541	2.0
383.14825	20.5
505.18524	3.3
531.20148	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	750.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01851	6.8
55.05504	19.2
57.03429	16.9
57.07073	51.1
59.04979	4.4
61.02925	4.8
67.05501	34.6
69.03437	3.9
69.07069	16.1
71.01338	4.6
71.04975	6.7
71.08624	35.5
79.05035	4.1
79.05483	32.5
81.03410	46.4
81.07045	37.7
83.01350	4.8
83.04990	15.8
83.08599	18.1
85.02888	11.2
85.06533	4.7
85.10175	13.5
86.09689	3.9
87.04420	3.7
91.05479	19.1
93.07044	26.2
95.04945	11.6
95.08602	33.0
97.02872	12.9
97.06523	12.7
97.10154	5.6
105.07011	9.4
107.04950	25.6
107.08608	16.3
109.06510	13.0
109.10144	10.5
111.04446	32.7
111.08093	8.2
117.07020	12.5
119.08570	12.9
119.41921	2.7
121.06451	8.2
121.10143	10.5
123.08044	9.4
123.11709	3.3
125.06029	5.8
129.07008	5.1
131.08551	10.7
135.08029	3.1
135.11676	19.5
145.06425	3.4
145.10106	29.0
147.08107	3.5
149.09674	3.1
153.12761	11.1
155.08519	6.4
163.11151	30.3
173.09537	7.1
181.12164	3.2
184.07326	7.5
191.10690	10.2
209.11745	13.6
213.48045	3.3
223.13307	23.4
227.12787	10.0
241.14340	46.2
257.24686	5.3
265.14301	15.8
283.15338	32.6
313.27319	100.0
314.27634	7.3
315.18027	59.6
380.62454	3.5
477.31012	3.4
503.37173	13.3
506.38635	4.1
521.38428	94.5
522.38745	5.6
536.00421	3.8
553.40955	69.4
554.40607	4.7
750.44196	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	750.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72518	0.8
53.03938	2.4
53.28053	0.8
53.61289	1.0
55.01861	1.5
55.05256	1.2
55.05511	14.7
57.03432	13.5
57.07076	5.1
61.02909	1.1
65.03928	0.9
67.05502	23.5
69.03419	2.4
69.06707	1.8
69.07066	28.3
70.82191	0.8
71.04983	2.1
71.08633	2.8
79.05484	14.9
81.03412	54.8
81.07050	25.1
83.04968	4.5
83.08617	24.3
85.02875	1.2
85.06574	1.1
85.10184	1.2
86.09715	2.9
87.04470	4.1
91.05472	11.4
93.07034	17.0
95.04971	14.8
95.08599	18.0
95.50277	0.9
97.02892	2.2
97.06530	3.8
97.10163	11.4
99.08103	1.5
105.07024	8.2
107.04946	3.7
107.08572	9.1
109.06535	3.2
109.10151	7.0
111.08073	6.2
111.11687	1.8
115.05472	1.5
117.07001	1.6
119.08582	8.1
121.06511	2.0
121.10139	12.8
123.08105	1.3
123.11705	3.0
125.00041	1.3
125.09634	2.0
129.06996	5.7
131.08546	5.3
133.06514	1.7
133.10129	3.5
135.11658	7.4
137.13249	1.9
142.07814	1.8
145.10120	1.8
147.08035	2.2
147.11671	5.4
149.09619	3.4
149.13243	2.8
153.12756	1.2
157.10110	5.8
163.14720	1.1
165.12708	1.1
175.11174	5.7
184.07323	11.4
193.12242	19.5
211.13333	1.7
219.21068	1.2
229.14391	1.0
235.13339	1.0
237.22124	2.5
249.14886	1.3
259.13364	0.9
267.15894	99.9
268.16174	1.8
309.16855	1.2
311.25769	100.0
312.26129	4.5
378.69247	1.0
429.33704	2.2
503.37277	89.5
504.37839	5.9
521.32690	0.9
521.38501	9.4
525.02222	1.0
545.38074	3.9
611.39905	1.2
750.44580	14.1
751.43341	1.4
754.94330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
54.58176	0.6
55.01860	1.4
55.05267	1.4
55.05511	18.3
55.52274	0.7
57.03432	13.9
57.07080	4.7
58.75659	0.7
65.03926	1.0
67.05499	22.6
67.05859	1.4
69.03412	1.2
69.07062	22.5
69.82552	2.3
71.01348	1.1
71.04969	2.1
71.08625	2.0
73.02884	1.0
76.22604	0.7
79.05486	14.4
81.03410	58.4
81.07051	22.7
82.03729	0.8
83.04968	3.0
83.08611	23.5
85.02892	1.5
85.06505	1.2
85.10149	1.5
87.04453	1.9
91.05468	11.2
93.07035	12.5
95.04956	18.0
95.05531	1.5
95.08600	14.5
97.02879	1.7
97.06542	4.2
97.10162	9.1
99.08076	1.2
105.07016	7.7
106.48257	0.7
107.04942	4.1
107.08580	7.3
109.06510	1.9
109.10136	6.0
111.04443	1.3
111.08056	6.8
111.11692	1.7
115.05415	0.8
117.07072	0.8
119.04944	0.8
119.08572	8.6
121.06509	1.7
121.10130	11.7
123.04383	1.2
123.11694	3.2
124.99973	0.9
125.09613	1.4
125.71109	0.7
129.06995	6.5
131.08540	5.8
133.06488	2.6
133.10097	3.4
135.11684	7.1
137.09627	0.9
137.13217	1.3
139.11116	0.9
142.07697	1.3
145.10043	1.6
147.04388	0.9
147.08063	1.2
147.11670	6.2
149.09613	2.9
149.13251	3.0
153.12708	1.4
157.10127	6.8
163.14801	1.2
165.12817	0.9
175.11169	6.1
184.07306	2.9
185.90897	0.7
191.76801	0.8
193.12221	16.4
211.13281	1.9
219.21097	2.5
235.13252	1.2
237.22038	1.6
249.14790	2.1
259.13449	1.0
267.15884	100.0
268.16208	3.0
273.14554	0.9
301.14066	1.1
305.45532	0.8
309.16888	1.9
311.25763	88.0
312.26028	3.7
429.33588	1.7
503.37268	83.9
504.37805	5.4
521.38318	10.6
545.38116	3.3
553.40985	0.8
609.90564	1.0
611.39423	0.8
611.63885	0.8
612.24597	1.0
629.40863	1.0
647.41370	0.9
727.51178	0.8
750.44800	7.7
759.38593	0.8
777.80713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94550	1.2
70.01971	3.0
74.87107	1.5
113.27053	1.4
145.02803	2.4
147.04463	2.7
151.03909	1.9
159.04164	4.0
171.04239	1.9
172.04991	4.7
177.05475	2.2
216.03979	4.9
243.06415	1.4
286.02335	1.4
295.61722	1.3
325.80142	1.7
365.09998	1.9
380.12350	4.4
381.13141	3.0
393.09473	8.5
557.17926	16.2
670.11115	1.5
751.23468	100.0
752.23700	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	751.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
58.31033	0.7
61.46529	0.6
65.03916	0.7
68.22554	0.7
70.06577	1.4
71.39722	0.7
79.05483	1.6
82.70972	0.7
88.07613	1.4
89.03902	2.6
91.05464	4.9
95.04947	3.5
102.09205	1.1
103.05454	56.6
104.05779	1.2
105.07024	7.5
115.05427	1.9
117.03361	7.0
119.04932	6.3
131.04907	97.2
132.05283	1.7
133.06464	6.2
134.03720	0.9
137.05960	0.9
143.06102	0.7
145.02826	17.7
146.03284	0.8
147.04396	9.7
149.02330	2.9
149.05963	1.9
150.02623	1.0
161.05957	13.4
163.07526	24.4
177.05440	28.2
179.07045	3.9
184.07312	0.7
185.05719	14.0
193.04974	0.9
199.03694	1.3
200.04367	1.0
200.20087	2.1
201.05255	6.8
201.20822	1.0
231.07861	1.0
264.68347	0.8
291.10196	4.1
321.10895	1.2
323.12695	1.2
361.50623	0.8
373.12637	2.3
395.10950	10.6
557.17743	20.1
558.17395	1.3
599.34741	0.8
698.24231	0.8
707.24170	5.5
751.23285	100.0
752.23383	9.1
756.01575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05500	2.9
57.03436	2.2
57.07064	2.3
61.02919	5.9
61.08543	1.4
67.05507	7.3
69.03425	4.4
69.07065	4.0
70.81361	1.6
71.04980	2.5
73.02915	5.3
79.05493	5.7
81.03419	6.8
81.07052	4.8
83.08613	3.4
85.02908	5.3
86.09727	1.5
87.04474	2.9
91.03971	2.7
91.05491	5.8
93.07052	4.0
95.04961	3.8
95.08603	4.6
97.02897	5.5
97.10152	2.3
101.02391	2.0
105.07030	2.6
111.04434	1.6
126.38961	1.5
127.03971	1.5
130.84589	1.4
133.10162	1.4
147.11653	2.2
157.10089	1.8
184.07355	4.2
192.73882	1.3
193.12335	2.1
201.75375	1.3
243.08482	1.8
262.89767	1.5
267.15869	2.6
313.27390	4.4
333.51154	1.6
335.07153	1.5
430.22198	1.4
469.20337	7.0
505.39285	2.3
523.32538	6.1
541.38849	2.1
751.45978	100.0
752.46021	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	752.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
65.03940	2.2
67.72192	0.9
71.18269	1.1
81.07063	1.9
91.05481	12.7
93.07072	1.5
94.04181	3.0
95.04952	3.8
99.26369	1.2
99.78140	1.0
103.05461	3.5
105.07011	4.2
107.04956	4.3
109.06509	2.7
115.05453	2.4
117.07003	2.6
119.04961	8.7
121.06522	5.8
122.03629	6.4
128.06215	2.7
129.06996	7.8
131.04915	7.0
131.08582	3.2
133.02850	1.7
133.06502	2.5
134.03645	2.2
135.04425	1.5
135.08049	2.2
137.05969	100.0
138.06276	2.2
141.06976	2.4
143.04912	2.6
144.05672	1.3
145.06483	4.0
146.07289	1.7
147.04391	5.4
147.08020	2.3
148.05161	2.0
149.05974	13.0
150.06668	1.4
151.03949	5.3
151.07532	24.3
153.07010	1.5
155.08488	1.3
157.06493	6.7
158.07346	1.9
159.08011	3.7
160.05209	2.2
161.05962	44.0
161.09572	6.4
162.06711	2.7
163.07556	10.4
165.06926	5.2
165.08995	2.7
167.07091	2.8
167.08496	2.5
171.08076	1.8
174.06786	5.9
175.07535	21.8
177.07010	1.4
177.09082	2.5
179.07037	3.8
179.08508	2.0
181.06462	3.2
182.07233	3.2
183.08012	1.6
185.09581	2.0
187.07545	6.3
189.09084	20.4
191.07047	2.7
191.08578	2.9
193.06493	4.0
194.07246	3.0
195.08031	7.6
195.10129	3.2
196.08820	1.3
197.05930	1.8
197.09634	4.4
198.06769	3.6
199.07503	3.8
201.09067	6.5
203.08630	1.3
205.06509	2.6
206.07202	1.3
207.08220	1.5
207.10132	15.1
208.08757	2.1
209.09639	3.0
210.06738	3.0
211.07512	4.7
212.08310	1.2
213.09129	8.1
215.10635	1.9
218.07292	2.0
219.08003	7.0
219.10165	19.1
221.05989	7.2
221.09608	1.9
222.06766	2.4
223.07520	4.3
223.11131	1.9
224.08296	3.3
225.09116	8.6
227.07045	2.4
227.10657	5.9
231.08054	2.1
233.06114	1.3
233.09636	1.7
234.06734	1.5
235.07521	4.6
237.09114	6.4
238.06195	1.8
238.09666	1.4
239.07059	3.2
239.10747	1.9
240.07764	2.4
241.08598	2.7
243.10182	5.9
245.09605	1.4
246.06705	1.6
247.07501	5.5
248.08267	3.3
249.09172	5.6
250.09819	2.1
251.07004	4.7
251.10625	4.4
252.07687	1.7
253.08592	12.0
253.12181	1.5
254.09114	1.8
255.06422	1.9
255.10155	5.2
259.07309	1.6
261.09103	3.4
261.11472	1.2
262.06400	1.3
263.07001	2.9
263.10748	1.8
264.07883	2.5
265.08569	11.2
266.09290	2.9
267.10089	5.2
269.07986	2.5
269.11768	1.4
270.08786	3.4
273.11337	7.7
275.06995	1.8
276.07761	1.4
277.08569	6.0
277.11728	1.5
278.09354	2.6
279.10056	7.9
280.10770	1.3
281.07962	2.5
281.11444	2.3
282.08762	1.5
283.09753	7.5
283.12686	1.7
285.11304	11.2
287.10034	1.2
287.12930	2.4
289.08673	2.1
291.09961	5.7
293.07788	1.4
293.11591	1.2
294.09055	1.3
295.09534	5.5
296.10455	3.7
297.11215	17.4
298.11813	3.3
299.12842	2.1
302.09375	1.6
303.10150	2.5
305.11667	4.7
306.08835	1.5
307.09622	4.5
307.12967	1.5
308.10352	2.8
309.11279	9.0
310.11911	3.8
311.12759	10.4
313.10876	1.5
313.14240	1.5
315.12259	3.6
317.11731	2.8
319.09644	1.4
321.11288	6.6
322.11801	3.3
323.12698	4.0
325.10611	2.7
325.14243	1.3
327.12250	12.3
328.12820	1.8
329.13837	23.0
331.15479	6.7
333.11258	1.7
334.12070	2.0
335.12909	2.6
337.14194	5.5
339.12274	2.2
340.12961	3.1
341.13638	3.4
343.15311	2.4
349.14325	3.3
354.14474	1.3
355.15366	24.7
361.14322	2.1
365.13892	1.2
367.15399	24.2
379.15536	4.4
385.16193	3.8
397.16446	40.4
398.11197	1.3
398.16553	1.9
415.17380	7.4
431.14499	2.9
433.16602	2.0
443.88773	1.4
445.16055	3.3
459.17889	3.1
463.17371	2.9
468.19736	1.3
475.17047	1.6
477.19110	6.3
489.18973	4.3
503.20581	2.5
507.19928	1.5
515.20532	2.7
519.20184	1.4
533.21472	1.6
571.40509	1.1
609.24628	3.8
627.25616	6.9
639.26294	6.0
651.25970	1.2
657.26624	5.6
669.27307	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	752.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.9
55.01863	20.1
55.05504	42.0
56.04021	3.5
57.03431	27.0
59.05000	7.2
66.61565	3.6
67.05499	73.9
68.99478	3.7
69.03413	22.3
69.07056	17.0
69.81221	3.2
71.01338	3.7
71.04984	23.0
72.31898	3.8
73.02906	6.0
79.05483	57.9
81.03410	100.0
81.07044	59.9
83.01336	8.7
83.04968	32.7
83.08619	25.3
84.05734	4.5
85.02894	14.7
85.06537	3.9
91.05471	43.6
93.07038	53.4
95.04952	40.6
95.08605	26.5
97.02876	22.6
97.06527	20.1
97.10166	13.3
98.03669	8.8
98.22680	12.3
99.04447	11.1
105.07018	31.6
107.04939	31.5
107.08576	31.2
109.02895	11.8
109.06519	13.6
109.10140	27.9
110.07310	8.9
111.04428	11.6
111.08098	7.9
111.19608	4.0
117.06963	17.5
119.08583	25.2
121.06505	9.7
121.10149	14.7
123.04388	9.5
123.08050	14.2
125.05994	8.1
125.09618	20.6
127.03927	13.9
129.05511	6.9
129.06970	4.6
131.08549	10.8
133.06444	4.7
133.10106	10.9
135.08034	7.8
135.11687	21.6
137.09637	6.0
145.10135	29.6
147.11699	8.9
149.09610	8.1
153.09126	5.1
153.12721	10.4
156.00760	3.6
157.10138	4.7
163.11159	39.6
165.12808	4.8
173.04471	23.4
173.09601	11.9
173.11751	12.3
175.11214	4.1
177.61311	4.0
181.12251	11.9
189.11147	7.9
190.09947	5.8
191.10704	11.1
193.12222	7.7
199.06009	10.1
209.11761	19.7
211.13295	4.6
223.13159	6.8
224.14099	5.5
227.12732	34.3
229.14313	10.1
267.15918	13.5
283.15350	73.6
285.16760	4.3
290.89822	3.7
297.17062	6.3
301.16736	5.1
333.61411	4.0
353.15900	4.3
411.19757	6.7
437.25323	73.6
438.25549	5.6
487.30130	5.1
491.26355	13.9
506.28674	5.7
509.27490	28.0
636.31287	4.7
637.31934	11.7
640.38831	4.7
653.31323	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	752.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01868	18.1
55.05252	1.8
55.05501	15.7
55.69122	1.0
56.00716	0.9
57.03426	3.5
61.02930	1.0
65.03937	1.8
67.05499	33.6
69.03404	1.2
69.07059	18.2
71.04995	1.8
76.80133	0.9
77.03925	1.6
79.05485	41.0
81.03417	5.4
81.07046	38.9
81.42214	1.0
82.16784	1.0
83.04970	8.1
83.08591	5.4
85.06538	1.9
91.05470	45.3
93.07033	35.5
95.01308	6.1
95.04963	14.0
95.08590	22.2
97.06515	25.8
97.10168	4.0
98.23491	2.9
105.04490	2.4
105.07015	56.7
107.04941	11.6
107.08578	11.8
109.06521	4.3
109.10136	5.3
111.08040	1.9
115.05380	1.2
117.07008	10.1
119.08564	26.5
121.06481	2.9
121.10148	4.9
123.04402	1.3
123.08003	2.6
123.11694	1.4
127.33002	1.3
128.06248	1.6
129.06964	8.3
131.08556	12.4
133.10117	23.2
133.11140	1.5
135.08020	1.3
135.11693	6.0
137.09624	1.7
141.06960	1.2
143.08563	4.5
145.06546	1.3
145.10103	12.5
147.11649	17.2
149.09569	6.1
149.13269	2.2
157.10187	1.2
159.11665	5.5
161.09631	1.9
161.13217	6.5
163.11177	3.8
169.10210	1.5
171.11670	8.2
173.13283	1.8
177.12762	1.3
179.14304	8.2
183.11758	0.9
187.11157	1.4
189.12788	3.1
200.10611	1.1
207.13774	5.9
247.20572	1.2
257.19000	3.6
259.20618	1.5
263.16452	1.2
275.20032	44.5
276.20352	2.2
279.15845	2.7
281.17416	31.3
293.21051	3.0
349.23712	18.9
483.07999	1.2
537.35864	2.2
555.36719	100.0
556.36963	8.6
573.37628	1.8
633.32770	1.1
744.84204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36119	1.5
53.03936	2.5
55.05501	7.3
57.03434	16.3
57.07074	28.4
67.05506	13.3
69.03405	2.2
69.07058	6.8
70.69838	3.6
71.08627	22.7
79.05482	6.9
81.03413	63.7
81.07056	17.1
83.04988	4.4
83.08612	19.5
85.10186	13.6
91.05467	7.7
93.07042	4.7
95.04964	13.0
95.08593	14.5
97.02882	2.6
97.10175	5.4
105.07003	8.1
107.04943	3.4
107.08573	3.5
109.06543	1.7
109.10140	7.0
109.69926	1.4
109.70798	1.5
111.04447	1.7
111.08069	6.2
119.08567	7.9
121.10141	3.1
123.11729	1.8
129.06975	5.2
131.08562	5.2
133.06487	2.8
133.10117	2.3
137.09598	1.8
145.12210	1.8
147.07965	2.4
147.10587	1.6
147.11592	7.6
149.09607	5.7
152.09790	1.6
157.10152	8.2
163.11093	1.4
175.11137	5.9
193.12238	26.7
211.13211	2.1
239.23466	2.2
257.24683	2.4
267.15897	100.0
268.16318	1.9
296.00766	1.6
309.16708	1.9
313.27353	88.9
314.27710	5.4
372.65814	1.8
380.29755	1.8
505.38831	68.7
506.38980	6.0
651.53229	2.0
670.18207	1.8
750.36456	1.8
752.21564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91025	0.4
97.22755	0.4
97.31196	0.4
102.87978	0.4
103.05479	0.8
107.04964	0.4
123.58130	0.6
131.04971	0.7
145.02859	0.6
159.04141	2.8
163.07500	0.6
171.04250	0.5
172.05121	0.5
175.03635	0.9
177.05536	1.2
185.05786	0.9
210.85796	0.5
212.11572	0.5
216.04022	0.6
216.75024	0.5
277.79395	0.4
278.57611	0.5
380.12314	1.2
477.00540	0.5
753.25043	100.0
754.25385	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	753.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19600	0.8
58.56029	0.7
61.06060	0.7
64.49611	0.6
70.02400	2.1
98.23195	1.7
105.15100	0.8
159.04276	1.5
171.94194	0.8
177.05428	0.9
208.05264	0.8
245.65283	0.8
301.90048	0.8
312.64206	0.7
380.12390	1.2
438.10486	0.7
591.16730	0.9
753.25037	100.0
754.25366	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	753.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.7
55.01865	20.0
55.05505	35.5
56.96574	3.5
57.03438	23.3
59.04998	4.1
65.03941	5.6
67.03381	1.9
67.05499	75.8
69.03426	23.7
69.07056	18.9
69.92595	7.4
71.01337	4.4
71.04980	8.1
73.02932	2.4
77.92285	1.9
79.05484	71.0
81.03412	89.2
81.07051	100.0
82.07373	2.2
83.04980	32.7
83.08611	23.6
85.02898	18.9
85.06541	7.3
91.05468	74.4
92.06223	2.4
93.07041	48.8
95.04960	65.6
95.08607	32.6
97.02871	29.6
97.03413	3.0
97.06517	14.1
97.10159	11.3
99.04452	6.5
99.08075	2.6
103.05442	3.7
103.81209	2.2
105.04530	4.2
105.07022	58.0
107.04941	45.3
107.08577	34.0
107.09248	3.2
109.02858	10.8
109.06508	54.8
109.10150	26.3
111.04440	15.7
111.08056	18.0
113.05997	6.4
115.05442	7.7
117.07003	26.3
119.04927	7.3
119.08578	45.0
120.08893	2.5
121.06500	12.6
121.10136	23.4
122.07309	13.3
123.04411	8.1
123.08036	12.0
123.11720	5.8
125.05996	2.5
125.09643	10.3
127.03875	5.1
128.06203	8.4
129.05492	7.1
129.07007	21.7
131.04893	3.4
131.08572	26.3
133.06499	11.2
133.10143	20.4
135.08017	15.6
135.11664	18.7
137.05983	2.6
137.09627	10.3
141.06993	3.4
142.07823	3.5
142.62065	2.3
143.08569	13.9
145.06502	12.4
145.10115	19.7
147.08035	19.8
147.11636	18.7
149.05962	2.9
149.09555	10.8
149.13249	4.3
151.07558	3.8
151.11162	3.8
153.09152	4.0
155.08569	3.5
157.08916	3.3
157.10098	17.7
159.08092	5.2
159.11665	10.0
161.09630	18.1
161.13229	5.4
163.11182	11.6
163.14899	2.3
165.09105	3.9
165.12723	2.7
169.01234	2.4
169.10124	5.7
171.06456	2.4
171.07941	2.6
171.11615	5.1
173.04420	5.9
173.09622	7.3
173.11736	3.7
173.13239	4.0
175.11169	19.3
175.14847	3.8
177.12720	5.1
181.12192	4.5
185.13219	6.3
187.11188	4.6
187.14816	5.3
189.11157	3.8
189.12709	3.3
189.16238	2.6
191.10535	2.5
193.12225	36.4
199.06020	2.6
203.14301	5.2
205.15936	3.7
207.13792	2.4
209.11618	3.5
211.13272	39.5
211.15152	3.8
212.13583	3.0
217.15959	3.2
219.13699	2.5
227.12750	6.1
229.14360	7.5
233.15381	8.7
249.14854	7.3
261.14716	2.7
267.15875	26.7
273.18451	24.3
275.20035	2.8
279.15784	4.2
283.15387	6.5
285.16852	13.8
289.18018	14.6
290.18857	10.1
291.19495	22.6
307.19006	6.3
323.18365	6.9
330.56332	2.2
347.22131	6.4
347.30225	2.5
363.21558	3.7
365.23166	4.7
366.00757	2.6
381.22675	19.7
400.75827	3.0
411.19913	4.5
429.21399	16.8
439.27005	5.0
441.90454	2.0
444.58853	2.7
445.19751	2.2
462.32758	2.4
465.29938	2.5
486.83749	5.5
487.33792	3.0
508.33054	4.1
508.83084	8.3
515.29614	4.8
528.31305	2.3
533.31439	5.8
539.33069	2.6
544.36969	3.9
545.31482	3.6
555.33209	2.7
557.34491	3.4
573.34155	20.8
574.34967	4.1
591.35907	3.2
663.33832	2.8
689.35663	3.5
717.38031	2.9
718.38336	2.4
731.00903	5.1
731.50464	3.0
735.38904	9.5
753.00183	19.8
753.37811	8.5
753.51544	3.4
754.00220	3.3
778.97168	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.01862	11.7
55.05507	30.5
57.03428	16.4
59.04983	2.9
61.02932	2.0
63.89049	1.2
65.03935	4.0
67.05499	58.2
68.75234	1.4
69.03422	16.0
69.07059	14.6
71.01357	2.2
71.04987	14.8
73.02917	4.0
78.73016	1.3
79.05485	49.3
80.06232	1.5
80.91126	1.4
81.03410	100.0
81.06569	2.5
81.07048	46.7
82.04194	2.4
82.07329	1.9
83.04976	26.4
83.08616	23.5
85.02892	25.6
85.06532	5.5
91.05471	45.1
93.07036	35.7
94.04163	1.6
95.04961	39.2
95.08591	15.5
97.02881	16.3
97.06525	11.6
97.10148	16.2
98.03667	9.1
99.04449	5.9
99.08076	2.7
105.04508	3.3
105.07024	30.4
107.04942	18.5
107.08583	22.1
109.02863	5.9
109.06531	6.8
109.10140	22.0
110.07269	4.6
111.04428	9.1
111.08054	12.0
113.05987	5.5
115.05467	2.7
116.04714	1.7
117.07002	9.4
119.08568	27.9
121.06497	4.2
121.10126	18.4
123.04442	6.7
123.08061	7.1
123.11687	2.9
125.05985	4.6
125.09611	14.0
127.03857	8.7
127.07576	2.0
129.05484	6.9
129.06964	10.7
131.08546	17.1
133.06485	4.0
133.10129	15.3
135.04410	2.4
135.08058	4.6
135.11697	8.6
137.09593	4.7
142.07762	4.0
143.07013	1.7
143.08574	2.4
143.10606	1.5
145.06454	2.8
145.10089	12.2
147.08037	5.4
147.11659	16.4
149.09601	10.2
151.11192	2.4
153.05403	2.1
153.09084	4.6
153.12733	4.7
157.08784	2.4
157.10092	13.2
159.11679	1.7
161.09488	1.4
163.11147	13.4
165.12724	6.8
171.10114	2.1
173.04469	13.9
173.09610	5.0
173.11731	8.0
173.45749	1.3
175.11147	15.4
181.12213	4.6
183.11665	1.7
189.11191	5.5
191.10663	5.3
193.12219	44.4
197.59383	1.3
199.06041	6.1
199.13245	6.9
209.11685	11.3
211.13264	52.1
224.14032	4.2
227.12759	14.9
229.14322	5.7
255.15865	2.7
259.15558	1.9
265.14307	2.7
267.13095	2.5
267.15884	35.9
268.16257	2.1
283.15384	13.2
284.15982	2.1
285.16940	28.7
301.16446	7.4
315.17856	6.9
383.22122	1.8
409.26025	2.3
411.19836	2.5
421.25797	6.0
427.26971	2.9
429.21109	2.7
439.26865	37.4
445.20584	3.8
457.25845	4.1
459.27335	2.7
475.26910	12.7
476.27567	2.8
477.28018	3.5
493.27881	15.3
494.28317	2.7
507.29547	11.0
508.29929	2.3
511.28897	9.7
638.30896	1.5
639.33167	4.3
655.33020	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	754.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02230	1.0
53.03952	2.7
55.01877	7.7
55.05507	10.7
55.87052	1.1
57.03421	4.0
59.04990	1.5
65.03889	1.1
67.05499	17.2
69.07060	14.1
69.07408	1.9
71.04994	2.0
72.08122	1.0
72.59025	1.2
77.03820	1.0
79.05489	20.4
81.03411	6.8
81.07051	26.9
83.01345	1.8
83.04977	6.4
83.08615	6.0
85.06538	1.2
86.09634	1.0
91.05471	27.3
93.07039	21.2
95.01324	3.6
95.04971	6.3
95.08594	13.9
97.06535	12.3
97.10162	2.1
105.07018	39.8
107.04945	9.3
107.08583	11.7
108.71043	1.0
109.06493	4.4
109.10138	2.9
111.04426	1.6
117.07000	9.4
119.08588	18.7
121.06484	3.6
121.10133	5.5
123.04420	1.5
123.08028	3.8
123.11758	1.3
131.08566	10.0
133.10132	19.7
135.08066	1.7
135.11682	7.4
137.09612	1.7
143.08551	2.1
145.06477	1.5
145.10124	12.9
147.11697	8.8
149.09657	5.7
149.13342	2.6
150.37154	1.1
153.12810	1.6
155.08589	1.5
157.10098	1.8
159.11678	4.7
161.13248	2.2
163.11154	10.2
169.10143	1.3
171.11534	1.3
173.13254	1.7
179.14331	5.5
209.11595	1.2
227.12758	1.9
257.19064	2.7
267.15823	1.2
275.20044	38.7
276.20389	2.7
283.15381	27.9
293.20987	3.0
349.23657	16.5
397.37097	1.4
513.43353	1.1
539.33319	2.7
557.34711	100.0
558.34845	10.4
736.62610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01877	4.6
55.05502	11.1
57.03424	2.6
61.02909	1.4
65.03929	1.3
67.05496	22.2
68.14040	0.7
69.03417	2.9
69.07059	4.9
71.04985	2.2
79.05035	1.3
79.05481	17.9
81.03415	10.2
81.07046	21.6
81.98115	0.6
83.04971	8.5
83.08610	4.4
85.02897	2.3
85.06542	1.9
86.09689	1.0
91.03913	0.8
91.05467	14.7
92.05849	0.6
93.07035	18.3
95.01336	4.0
95.04957	12.2
95.07309	0.6
95.08595	13.7
97.02860	1.3
97.06517	4.6
97.10154	5.1
98.22614	1.4
105.04536	1.5
105.07010	12.7
106.07371	0.7
107.04935	12.9
107.08586	9.8
109.02837	0.9
109.06519	4.0
109.10135	5.7
109.37988	0.6
111.04494	0.6
111.08092	2.1
115.05441	0.9
116.22876	0.6
117.07003	8.4
119.04941	0.9
119.08561	8.2
121.06475	4.0
121.10144	4.0
123.04447	1.2
123.08056	5.8
123.11674	0.9
125.09597	3.9
128.06242	1.0
129.07004	5.3
131.04976	1.7
131.08553	8.5
133.06497	3.0
133.10133	6.3
135.08040	4.3
135.11685	6.0
137.09630	1.5
141.06966	3.9
141.43430	0.6
142.07785	1.0
143.08546	5.3
145.06447	5.1
145.10080	6.9
147.08038	2.6
147.11696	2.4
149.09608	4.2
149.13248	2.6
151.11176	0.9
155.08537	2.2
157.06570	0.8
157.10081	4.4
159.08090	3.7
159.11678	6.2
161.09656	2.1
161.13237	0.9
163.11162	3.1
165.06996	0.8
167.08595	0.9
169.10086	4.7
171.08099	0.9
171.11697	2.0
173.09599	2.3
173.13177	0.7
175.07518	1.3
175.11188	1.9
177.12752	3.0
179.08424	0.9
181.10109	1.9
183.08115	1.2
183.11726	2.5
184.07335	2.0
185.09637	2.3
185.13251	1.5
187.11171	4.9
189.09203	1.7
189.11147	1.5
189.12761	1.2
191.10437	0.7
193.10120	0.8
193.12285	3.2
195.11745	1.1
195.13808	0.8
197.09590	1.9
197.13287	1.6
199.11089	0.9
201.12721	1.0
203.14621	0.7
205.12276	1.6
211.11176	1.4
221.13315	0.9
227.12711	1.6
228.96753	0.7
233.15379	0.8
237.16451	0.7
241.14365	1.5
255.17422	0.9
257.19177	0.8
259.16849	0.7
261.18521	3.0
267.15958	1.1
273.18542	2.5
275.20129	1.7
277.19733	0.7
279.15860	9.1
287.16553	1.6
295.20508	1.1
301.18173	1.0
313.18259	0.7
313.21674	2.6
325.91351	0.7
373.69431	0.7
419.29391	0.8
429.27759	1.5
437.30466	1.6
447.28757	5.6
465.29980	16.2
483.30991	9.6
521.32367	1.0
539.33606	100.0
540.33954	8.3
543.36816	0.9
557.34637	23.5
558.35132	1.8
672.01190	0.7
754.40356	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	754.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.05495	18.5
57.03425	6.3
65.03924	6.3
67.05504	67.8
69.07063	16.8
69.16462	14.8
69.16859	12.3
79.05486	100.0
79.81210	4.6
81.03415	12.0
81.07050	52.5
83.04987	11.9
83.08615	7.7
85.06558	5.0
91.05476	94.4
93.07034	96.3
95.04959	27.1
95.08611	47.9
97.06526	9.4
98.22655	8.1
105.04506	8.0
105.07021	84.9
107.04945	13.3
107.08605	32.1
109.06506	10.1
109.10159	14.3
115.05402	6.2
117.07028	18.3
119.08560	57.6
120.67815	4.5
121.10126	18.3
128.06215	5.2
129.06976	28.9
131.08557	28.4
133.10129	43.2
135.11681	17.5
138.15134	4.2
143.08545	13.7
145.10097	27.2
147.11684	69.3
149.13223	12.6
157.10152	8.5
159.11684	23.8
161.09575	5.4
161.13300	25.2
171.11690	39.9
173.13307	13.7
175.14822	15.6
185.13271	13.6
187.14757	6.6
189.12723	11.4
207.13725	22.1
213.16359	5.1
241.19473	36.9
259.20544	62.2
279.15884	15.5
281.17462	77.7
315.23016	8.1
333.24207	56.8
447.32770	10.8
465.33322	7.5
539.29858	5.7
539.37286	72.8
540.37396	10.0
557.38580	28.0
674.45624	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	754.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.8
55.05505	45.3
55.10679	1.7
57.03432	22.7
57.07071	38.5
59.04999	4.4
61.02925	5.4
65.03934	3.0
67.05500	85.9
69.03426	4.1
69.07061	18.4
71.04968	3.3
71.08627	24.5
73.02921	3.5
79.05489	39.9
81.03413	8.8
81.07052	59.6
83.04972	5.7
83.08614	21.7
85.02903	18.7
85.06538	2.3
85.10178	12.9
86.09695	14.2
87.04464	4.9
89.06056	2.1
91.05463	20.4
93.07043	26.1
94.30836	1.8
95.04965	14.8
95.08596	39.9
97.02884	8.6
97.06535	2.8
97.10167	24.4
99.11673	1.9
105.07056	10.6
107.04935	4.1
107.08576	20.7
109.06522	2.9
109.10149	54.5
111.08089	2.2
117.07023	9.7
119.08532	9.4
121.06464	3.1
121.09394	1.7
121.10151	11.5
123.11725	4.8
125.00014	7.4
125.09624	19.4
129.07051	2.0
131.08524	8.3
133.10130	6.9
135.08081	4.0
135.11716	4.3
137.09630	1.6
143.10651	5.3
145.10141	7.7
147.11702	2.2
149.13272	4.2
155.10629	2.0
159.11690	5.8
161.13257	2.2
163.11198	4.4
171.47696	1.5
173.11736	12.2
177.12711	2.5
181.12181	2.1
184.07315	39.9
184.08862	2.4
187.11256	1.6
189.11221	5.3
189.42783	1.7
191.10756	2.0
199.13278	12.4
205.12335	3.0
208.50587	1.7
209.11729	3.7
223.13290	24.1
227.12799	9.2
229.14326	57.9
230.14873	1.9
237.90468	1.7
239.23706	5.3
243.21022	2.0
257.24716	2.6
261.22131	6.1
283.15433	6.4
297.16916	39.1
301.16415	22.4
302.16852	2.2
313.27344	100.0
314.27643	5.9
317.24393	2.2
330.02243	1.6
335.25784	33.1
335.29553	2.6
408.16821	1.6
437.36115	6.7
455.37280	13.9
467.37210	25.9
468.38046	2.8
489.35718	9.6
533.90521	2.0
539.39130	12.3
557.38312	16.9
650.43695	2.9
754.44202	9.5
755.45575	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	755.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48051	2.2
81.19902	0.5
98.22632	0.7
98.23233	1.9
109.73560	0.5
125.53109	0.5
137.24370	0.6
159.04195	1.7
171.04185	0.8
183.80075	0.5
217.12447	0.6
241.45018	0.5
281.75845	0.6
363.11917	1.3
370.28830	0.6
380.12604	0.6
527.16626	0.7
543.16388	1.6
558.18787	0.7
755.26654	100.0
756.26788	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	755.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
57.03432	2.3
57.07062	1.5
59.04973	0.6
61.02921	4.5
66.47675	0.5
67.05499	5.4
69.03413	2.8
69.07057	2.7
71.04998	1.5
71.08631	1.1
71.42324	0.6
73.02921	3.9
79.05474	2.7
81.03414	2.7
81.07045	5.4
83.04968	0.7
83.08612	3.6
85.02888	5.2
85.10183	0.8
86.09705	2.1
87.04498	0.7
91.03956	3.2
91.05467	2.6
91.86938	0.6
93.05249	0.5
93.07051	1.7
94.07385	0.6
95.04982	0.9
95.08602	3.5
97.02882	3.6
97.10164	1.7
99.04448	1.0
101.02378	2.1
103.03883	0.6
105.07026	2.1
107.08608	1.7
109.10178	2.3
111.08121	0.6
119.08562	1.5
121.10159	2.3
122.71581	0.5
124.99986	1.1
127.03923	1.0
129.07043	0.8
131.08586	1.5
133.10121	1.2
135.11681	0.9
147.11707	1.3
149.09622	1.4
149.13206	0.7
157.10170	0.8
170.38359	0.6
184.07343	5.0
185.07726	0.6
193.12294	0.9
229.14427	0.6
243.08479	2.1
253.14424	0.6
267.15900	0.8
283.15097	5.5
284.15585	0.7
301.16373	0.6
311.25912	0.8
313.27356	1.8
314.27835	1.8
339.17932	1.0
468.37634	0.7
469.20432	1.0
495.29211	5.4
501.23035	12.6
502.23697	0.7
743.31409	0.6
755.45428	100.0
756.45782	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	756.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01863	5.0
55.05504	20.7
57.03430	16.8
59.04984	1.9
61.02914	1.8
65.03934	2.0
67.05496	33.6
67.14040	1.1
69.03407	6.2
69.07069	8.2
71.01343	3.6
71.04984	5.8
71.43262	1.2
72.18221	1.1
73.02890	1.5
77.03912	1.3
79.05484	39.7
81.03406	100.0
81.07046	36.3
82.07326	1.3
82.10526	1.2
83.04970	22.3
83.05435	1.9
83.08612	29.1
85.02897	25.3
85.06537	3.0
87.04464	1.4
91.05468	45.3
93.07034	24.7
95.04958	37.3
95.08592	13.8
97.02869	6.1
97.06506	7.1
97.10159	8.9
97.24770	1.1
99.04456	2.3
99.08070	1.0
105.04517	2.2
105.07015	32.1
107.04941	13.7
107.08578	13.5
109.02870	4.6
109.06502	8.6
109.10136	8.0
111.04421	4.5
111.08064	15.4
113.06009	2.2
115.05464	1.6
117.07005	5.0
119.04929	1.2
119.08569	27.0
121.02871	3.3
121.06483	5.3
121.10114	11.1
123.04415	1.6
123.08009	5.2
123.11697	2.5
125.09611	5.0
127.03977	1.4
128.06256	1.2
129.06987	12.2
131.08553	14.5
133.06494	4.7
133.10117	18.2
135.08008	2.9
135.11711	2.0
137.05927	2.0
137.09618	3.0
142.07799	4.0
145.06448	1.4
145.10083	3.4
147.08064	6.0
147.11673	18.7
149.09607	8.0
153.01805	3.6
157.10109	22.5
161.09572	2.7
163.11131	3.3
165.12767	4.7
175.11162	21.9
189.09239	1.7
189.11150	2.0
191.00032	1.3
193.12207	63.9
194.12502	1.9
201.12683	1.3
203.10681	5.0
211.13261	87.0
212.13670	2.1
225.11212	3.6
227.12747	5.0
229.12202	1.7
247.13287	4.9
249.14999	2.5
267.15875	67.1
268.16156	2.3
283.15384	1.9
285.16922	64.3
286.17142	2.2
299.14844	22.4
317.15866	1.9
362.28937	1.1
367.22729	2.7
381.20895	1.7
385.23788	4.5
399.21774	2.4
403.24786	1.5
412.86398	1.3
455.24292	3.9
455.68430	1.4
459.27368	29.0
460.27670	1.8
473.25357	15.2
477.28354	30.7
491.26349	21.7
492.26437	1.5
495.29431	71.7
496.29721	3.1
509.27539	2.9
511.18448	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	756.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.0
55.01865	17.0
55.05508	40.9
57.03434	28.3
57.07069	6.1
59.04993	6.0
61.02911	10.8
65.03930	5.2
67.05498	100.0
68.05871	2.3
69.03425	24.5
69.07063	21.3
70.06581	16.6
70.83887	2.2
71.01344	3.9
71.04995	15.8
72.51781	2.7
72.97523	2.6
73.02910	8.5
77.03894	3.8
79.05487	82.4
81.03415	61.6
81.07052	66.1
82.04217	5.7
83.04976	35.1
83.08624	20.6
85.02905	16.9
85.06548	8.9
87.04465	6.8
91.05472	57.2
93.07039	51.5
95.04961	47.9
95.08599	31.3
97.02897	19.8
97.06518	15.7
97.10160	24.3
98.07321	5.0
99.04458	6.5
99.08102	3.9
103.05478	3.5
105.04495	4.6
105.07011	36.9
107.04964	19.6
107.08588	36.8
109.02852	7.2
109.06528	11.5
109.10139	27.0
111.04436	9.6
111.08068	7.1
113.05983	3.0
115.05424	3.6
116.04710	8.1
117.06992	19.0
119.08585	33.3
121.06503	10.3
121.10151	23.1
123.04407	3.6
123.08064	7.0
123.11681	6.9
125.09619	20.2
127.03902	9.2
127.11149	2.8
129.05470	27.1
129.06996	8.8
130.07791	3.4
131.08548	23.2
133.10133	23.6
133.70866	3.0
135.08044	9.5
135.11691	22.3
137.09601	7.7
139.11263	2.9
142.07721	3.8
143.07042	6.7
143.08531	3.9
145.06467	4.1
145.10097	25.9
147.08040	7.4
147.11671	14.0
149.09616	10.0
151.11189	7.4
153.01810	4.5
153.12804	3.3
155.08540	4.3
157.08621	9.1
157.10100	11.8
161.09634	3.3
163.11159	23.7
164.11563	3.0
165.09175	2.7
165.12819	4.0
171.10161	4.6
171.11652	2.6
173.04449	12.6
173.09624	6.2
173.11754	4.8
175.11189	9.0
181.12218	9.2
184.07346	7.8
187.13290	3.6
189.11203	8.0
191.10649	16.3
193.12285	15.2
199.13312	7.0
209.11650	12.7
211.13242	10.1
223.13187	2.7
227.12741	15.8
229.14328	10.3
243.15929	6.0
255.15929	19.9
264.46298	2.6
265.14365	3.8
267.15915	23.0
268.16229	4.4
283.15363	31.6
285.16876	8.7
301.16467	52.8
302.16641	3.2
314.19669	2.9
315.17880	3.2
367.22781	3.5
385.23715	5.8
409.25586	2.9
427.31985	5.8
437.25018	8.1
454.51624	2.8
459.27359	17.7
463.26733	3.2
469.27893	3.3
477.28497	18.1
481.27863	4.5
493.27805	3.1
495.29218	6.5
509.27423	5.9
527.28583	10.4
594.36432	15.9
725.33160	4.1
756.40961	16.8
757.36108	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	756.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01872	25.7
55.05509	59.7
57.03435	32.5
57.07066	5.3
57.21095	1.8
59.04700	2.5
59.04997	37.6
61.02913	7.0
62.11808	2.1
65.03932	5.9
67.05500	100.0
69.03426	12.7
69.07070	16.7
71.04996	21.0
73.02908	8.2
77.03960	2.1
79.05491	50.4
81.03410	37.4
81.07050	48.1
82.03733	2.5
82.04187	3.9
83.04973	27.9
83.08609	27.8
85.02908	13.6
85.06559	4.8
87.04465	42.4
91.05474	32.3
92.01070	1.9
93.07042	32.7
95.04951	22.6
95.08595	19.6
97.02895	9.9
97.06519	12.6
97.10168	39.7
98.07299	9.1
99.04441	26.7
99.08129	2.9
105.07050	15.5
105.68459	2.1
107.04931	10.4
107.08591	26.8
109.02864	2.5
109.06498	8.5
109.10149	70.0
111.04436	9.1
111.08087	10.4
115.05464	2.9
116.04703	13.6
117.07005	9.0
119.08577	18.0
121.06500	5.6
121.10148	12.4
121.10882	2.2
123.04430	4.6
123.08063	10.3
125.09624	39.0
127.11189	3.1
129.05478	28.7
129.07008	7.0
131.08583	7.5
133.10129	10.1
135.08018	5.5
135.11703	9.5
137.09592	9.3
137.68111	1.9
142.48213	2.0
143.07031	8.1
143.10681	4.1
145.10150	11.4
147.08049	2.7
147.11710	8.9
149.09625	7.1
153.01816	2.1
153.09138	3.7
153.12712	5.6
155.08589	3.2
155.10660	6.2
157.08609	16.2
157.10083	5.1
163.11180	16.4
171.06561	4.4
171.10162	6.7
173.04440	2.2
173.09615	4.8
173.11722	21.5
175.11197	3.8
181.12206	3.6
184.07452	2.9
185.08051	3.1
189.11214	6.9
191.10727	4.8
193.12273	9.6
199.09630	2.9
199.13242	20.5
200.14015	5.2
201.14758	2.4
203.17947	2.0
209.11671	13.5
211.13306	6.0
217.14314	5.4
223.13234	6.0
227.12712	15.2
229.14330	51.6
241.14348	3.1
255.15909	5.0
267.15894	13.1
269.17407	2.2
283.15494	13.7
283.18539	2.9
285.16956	2.8
301.16400	41.4
315.17957	7.0
326.24597	3.4
402.17511	2.2
425.25177	3.9
437.25293	5.6
438.25754	2.8
443.26245	6.1
455.26309	24.4
471.89844	2.2
477.27756	2.5
541.30121	14.3
559.30298	11.0
757.35461	2.7
771.11493	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	756.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.01870	22.5
55.05259	4.1
55.05507	54.0
56.02470	2.2
57.03436	28.3
57.07046	4.0
59.04997	42.8
60.02080	2.0
61.02919	5.1
65.03934	3.8
67.05498	100.0
69.03416	10.7
69.07054	16.0
71.01336	2.3
71.04993	16.1
71.43095	2.7
73.02899	8.4
73.63449	2.2
79.05487	44.6
81.03417	30.1
81.07049	42.4
82.04188	3.8
83.04976	20.9
83.08607	23.1
85.02907	13.4
85.06535	5.4
87.04456	44.2
91.05466	28.5
93.07039	23.3
95.04955	21.6
95.08587	24.8
97.02876	12.5
97.06521	9.5
97.10159	32.8
98.07285	5.2
99.04444	19.4
105.07021	17.2
107.04934	9.5
107.08585	26.3
109.02870	2.4
109.06506	7.6
109.10143	64.4
110.10503	2.3
111.04427	7.9
111.08066	10.2
116.04678	10.4
117.07001	7.4
119.08572	19.1
121.10104	9.8
123.04404	2.3
123.08022	6.9
123.11656	2.5
125.09613	33.3
127.11258	2.4
129.05469	29.0
129.06926	4.8
131.08553	9.5
133.10130	4.9
135.08075	4.4
135.11678	9.3
136.20265	2.0
137.09608	3.9
143.07013	4.3
143.10606	3.4
145.10141	10.3
147.08049	5.1
147.11661	4.4
149.09595	4.3
151.11133	2.6
153.12718	4.2
155.10655	5.0
157.08588	10.8
157.10039	4.6
158.05791	3.1
163.11153	15.0
171.06546	3.0
171.10136	4.7
173.09547	3.4
173.11722	25.3
175.11188	3.7
181.12212	8.5
184.07333	2.7
189.11218	8.3
191.10663	4.6
193.12218	9.4
199.13281	18.6
200.14015	4.1
209.11742	15.8
211.13344	2.6
217.14369	3.1
223.13235	3.9
227.12683	13.2
228.31084	2.2
229.14348	54.3
229.16632	2.8
241.14320	5.7
255.15881	3.7
267.15851	11.8
283.15366	11.6
285.16705	2.7
301.16422	51.6
315.17987	4.8
326.24396	2.7
329.15942	2.5
360.39474	2.2
383.24182	3.2
421.26047	4.3
425.25491	2.8
437.25006	3.7
438.25958	5.4
443.26263	5.3
455.26221	38.1
459.26459	4.2
477.27823	5.1
495.29413	3.0
509.29245	2.4
541.30109	16.7
542.30981	2.4
559.30615	10.0
733.23462	2.6
756.37817	8.1
757.35278	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	756.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01860	3.2
55.05511	17.5
57.03438	11.1
65.03929	1.1
67.05499	20.4
68.42433	0.8
69.03428	3.5
69.07067	7.2
71.04988	2.6
78.03053	0.9
79.05488	19.6
81.03410	50.7
81.07047	17.8
83.04984	4.6
83.08610	17.6
85.02905	1.8
91.05466	15.3
93.07040	14.1
95.04962	20.5
95.08599	6.9
97.02892	1.8
97.06519	3.5
97.10164	16.6
98.23534	1.5
101.49223	1.0
105.04504	1.0
105.07024	12.6
107.04943	12.8
107.08600	11.8
109.06513	9.6
109.10176	5.5
110.14764	0.9
111.08071	6.3
115.05421	1.3
117.07002	4.8
119.08571	9.0
121.06479	10.7
121.10111	7.6
123.04408	1.5
123.08050	4.9
123.11679	1.1
124.88788	0.9
125.06044	1.1
125.09627	15.5
129.07010	8.2
131.04907	1.7
131.08546	8.5
133.06482	3.2
133.10104	7.1
135.08028	5.8
137.05948	1.1
137.09576	3.1
139.11198	1.1
142.07716	1.4
143.08537	4.2
145.06505	6.0
145.10095	4.3
147.04419	2.0
147.08057	5.3
147.11687	7.0
149.09599	4.7
153.09085	2.8
155.08540	2.8
157.06485	2.0
157.10088	6.0
159.08011	2.2
159.11697	2.8
161.09593	1.9
163.11131	2.8
165.12662	1.7
167.08496	1.9
167.10641	1.3
169.10153	2.3
171.08069	2.3
171.10199	2.2
171.11597	2.3
173.09586	1.3
173.13232	1.7
175.11136	7.4
177.12747	1.9
181.10072	1.1
183.08035	1.5
185.09575	1.4
185.13339	1.0
187.11180	1.1
187.14819	1.9
189.11212	5.2
189.12740	2.1
193.12224	13.9
197.09647	1.4
197.13249	1.1
199.11194	2.1
199.13158	1.2
205.12207	2.1
205.15849	1.1
213.12704	1.1
215.14314	2.3
217.12169	1.5
219.13799	3.1
223.13219	1.5
227.12625	2.3
233.15332	4.8
235.13261	1.7
255.13789	2.0
259.13226	1.8
267.15894	36.6
268.16052	1.4
273.14618	6.3
282.65869	1.2
291.15912	1.2
313.86365	1.0
339.23029	2.6
349.21597	4.4
357.24362	2.7
367.22580	17.9
385.23691	22.9
386.23917	1.3
403.24728	9.5
413.26758	1.1
441.26254	11.4
459.27359	100.0
460.27716	8.7
477.28442	88.3
478.28873	7.1
491.30054	12.2
492.29977	2.0
501.28455	1.8
509.31192	5.5
541.33539	1.5
567.29547	1.4
618.06818	1.0
721.95514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01869	13.9
55.05498	18.4
57.03432	10.4
65.03906	2.1
67.05502	35.7
69.03439	2.7
69.07062	27.8
69.16335	9.0
71.04991	2.5
79.05486	37.4
81.03415	43.0
81.07056	46.4
83.04980	10.2
83.08615	16.5
85.02902	18.0
85.06577	2.1
91.05476	58.5
91.35318	1.7
93.07035	31.5
95.01322	8.2
95.04971	19.8
95.08601	24.1
97.02856	2.7
97.06531	24.6
97.10174	3.6
98.23527	3.6
101.54691	2.0
103.36841	1.8
105.07025	69.7
105.07744	3.6
106.68294	1.8
107.04937	16.9
107.08569	14.7
109.06516	7.9
109.10136	5.1
110.03251	2.1
111.04458	2.1
111.08083	5.5
115.05473	2.1
117.07024	11.2
119.08583	40.8
121.06528	3.3
121.10130	11.9
123.08059	4.4
125.09566	1.8
129.06995	10.0
131.08548	20.8
133.06483	3.8
133.10123	38.7
135.08034	3.9
135.11719	6.3
137.09572	2.0
142.07751	2.3
143.08534	2.7
145.10124	12.4
147.11674	21.9
149.09612	9.6
157.10114	14.5
159.11658	11.1
161.13258	5.2
163.11179	3.4
169.10138	3.6
171.11690	2.2
173.13242	3.0
175.11227	8.9
177.12839	3.0
179.14346	10.6
183.11646	1.9
184.07251	2.1
193.12234	21.3
200.31885	1.7
211.13268	25.4
232.35591	2.2
257.19067	3.8
267.15918	36.4
275.17026	3.9
275.20038	73.6
276.20346	2.7
279.15918	1.9
285.16956	79.8
286.17416	2.4
293.21066	4.6
318.63058	1.9
349.23764	37.7
524.31586	2.0
541.35156	64.1
542.35773	3.3
559.36285	100.0
560.36462	5.9
577.37445	3.4
734.04156	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	756.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01873	16.7
55.05506	38.9
57.03432	18.5
57.07052	3.1
61.02932	4.2
67.05496	62.5
69.03427	6.7
69.07059	29.0
71.04987	4.6
74.48761	2.8
79.05488	71.9
81.03410	42.5
81.07048	75.9
83.01344	6.2
83.04990	16.7
83.08610	27.4
85.02892	12.8
85.06511	4.9
91.05466	99.7
93.07037	71.1
95.01341	5.7
95.04958	35.2
95.08601	42.0
97.02910	4.3
97.06532	20.2
97.10152	10.8
105.07021	98.4
107.04951	18.5
107.08583	42.9
107.09254	3.8
109.06522	12.9
109.10160	16.4
109.68748	2.8
111.08057	6.4
117.07010	23.5
119.08574	66.0
121.06572	7.1
121.10114	29.1
123.08060	7.4
123.11768	5.1
125.09624	9.4
129.07022	16.5
131.08548	34.5
133.10115	55.6
133.27080	2.9
135.08060	5.6
135.11656	25.3
137.09605	4.3
143.08560	12.6
145.10104	40.2
147.08057	4.7
147.11667	47.2
149.09636	9.1
149.13257	7.9
155.08580	2.9
157.10124	12.0
159.11719	19.3
161.13243	21.6
163.11148	19.9
171.11700	11.2
173.13304	8.8
175.11206	8.7
175.14833	9.2
177.12694	3.9
179.14320	8.9
183.11623	3.8
185.13239	9.9
193.12305	13.2
197.13165	3.4
199.14793	4.4
209.11673	5.3
211.13322	13.5
227.12773	13.4
231.21034	4.6
241.19427	16.2
257.19116	5.0
259.20566	54.2
267.15878	10.6
275.20013	41.5
277.21634	3.1
283.15344	49.9
285.16962	22.7
297.22107	6.1
315.23111	6.6
333.24228	44.2
349.23688	31.3
449.30292	5.1
467.31323	7.6
523.34192	8.0
541.35168	87.8
542.35321	9.5
559.36169	100.0
695.29144	3.5
703.39502	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	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	4.2
53.03941	4.9
55.01863	5.5
55.05505	29.5
57.03426	15.2
57.07071	2.5
59.04995	2.4
61.02924	4.4
63.58986	1.3
64.09970	1.2
65.03924	2.1
65.50707	1.5
67.05499	61.7
69.03439	4.6
69.07061	15.7
69.61057	3.2
71.04992	3.0
73.02908	1.7
79.05485	43.7
81.03421	16.7
81.06565	3.1
81.07052	63.9
82.07398	1.8
83.04986	6.1
83.08612	18.5
85.02899	7.4
85.06538	3.5
86.09718	2.0
87.04431	1.3
91.03953	1.9
91.05472	46.1
92.40204	1.2
93.07036	54.8
95.04957	12.9
95.08596	38.4
95.09209	1.9
97.02897	8.1
97.06501	6.7
97.10156	3.6
99.00820	16.4
99.08098	1.9
105.04516	2.4
105.07021	33.3
107.04951	9.2
107.07909	2.8
107.08587	26.0
109.02865	9.8
109.06520	6.2
109.10146	21.1
111.04423	3.1
111.08078	4.5
113.05943	1.4
115.03899	3.3
117.07039	8.2
119.08575	18.7
121.06492	5.5
121.10135	16.8
123.04421	2.1
123.08041	2.8
123.11662	8.3
125.00009	2.6
125.09631	3.9
127.03928	3.7
128.06223	1.5
129.07008	2.4
131.08575	13.1
133.06471	1.8
133.10120	39.6
135.08025	1.4
135.11668	12.8
137.06006	1.8
137.09599	3.0
137.13290	2.1
139.07529	3.3
139.11208	1.8
143.08577	6.3
145.06462	1.5
145.10152	7.8
147.08066	2.6
147.11696	7.7
149.09618	2.7
149.13266	5.8
151.11151	11.9
157.10074	2.2
159.11710	4.2
161.09610	17.0
161.13220	4.3
163.11156	2.3
163.14864	3.4
171.08040	3.6
173.13266	7.9
175.11322	1.4
175.14774	1.9
177.16360	1.5
179.10703	10.6
184.07353	8.5
187.14764	3.1
189.09090	8.9
193.12212	4.1
197.11737	2.6
207.10207	3.6
211.13309	4.9
225.11160	12.6
243.12198	3.3
243.21101	5.7
257.18893	1.5
259.20486	3.0
261.22141	20.3
267.15988	2.3
271.90201	1.4
275.20074	4.4
281.13843	4.7
285.16840	4.1
299.14874	89.5
300.15326	3.9
315.23181	2.6
317.24786	2.0
319.25198	1.3
327.12674	1.9
335.25769	100.0
336.26093	5.1
349.23798	3.7
363.72580	1.3
449.30154	1.7
467.31339	3.7
479.29898	14.5
485.32504	1.7
513.35828	3.8
541.35077	9.1
545.37970	1.7
556.49304	1.6
559.36206	57.2
560.36304	2.7
577.37335	2.8
634.82666	1.7
756.40576	2.5
757.41357	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57835	0.5
71.43145	0.5
73.03478	0.5
83.19731	0.5
85.32282	0.5
91.41047	0.5
146.03291	2.0
147.04247	0.8
153.01700	0.9
159.04079	1.0
167.06993	0.6
172.57059	0.5
196.52623	0.5
218.31236	0.6
219.06183	0.7
227.06699	0.8
245.07831	3.1
279.06161	1.9
284.15314	0.7
285.18753	0.6
294.08548	12.7
295.09119	1.2
325.10413	100.0
326.10760	4.0
343.11221	0.8
352.12747	1.0
364.12680	3.8
366.13034	1.9
382.13934	4.6
383.14911	0.8
409.77438	0.6
415.31967	0.7
425.15512	0.8
431.31427	0.8
455.16696	58.4
456.17178	3.2
554.06085	0.6
638.40564	0.7
739.27795	1.0
757.28149	82.9
758.28864	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	757.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01797	1.1
55.05510	2.6
57.03419	2.0
61.02926	4.4
67.05497	4.6
69.03414	2.8
69.07063	3.4
73.02908	1.3
74.60744	1.2
79.05479	5.7
80.87331	1.1
81.03413	2.5
81.07069	4.8
83.08611	1.3
85.02900	2.6
91.05434	6.2
93.07040	4.1
95.03435	1.1
95.04967	2.4
95.08611	3.9
97.02895	3.6
97.06522	1.7
101.02372	1.3
105.07037	4.1
107.08617	3.8
109.10154	1.2
117.07070	2.0
119.08591	1.8
127.03939	1.1
131.08539	1.5
133.10147	2.7
140.44122	1.1
142.68561	1.1
145.10124	2.4
147.11772	1.2
165.08186	1.1
179.14444	1.2
243.08453	3.3
247.13574	1.5
279.27130	1.3
299.06180	1.8
315.19412	3.6
371.22244	1.9
371.50342	1.2
390.86716	1.3
391.35355	1.1
465.20895	10.4
533.27032	6.8
534.27545	1.5
557.71960	1.4
757.41223	100.0
758.41400	11.0
779.07477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.3
55.36934	1.9
56.84418	1.6
57.03406	1.8
61.77634	1.4
67.05485	13.1
69.07056	11.0
69.37600	8.4
71.04976	9.0
79.05476	5.4
80.75034	1.6
81.07040	17.8
83.08596	2.8
85.02896	12.5
91.05421	3.9
93.07030	9.1
95.08591	15.3
98.22748	3.3
99.08085	6.6
105.07022	8.6
107.08589	10.1
109.10143	89.7
110.10469	2.4
117.07007	2.4
119.08580	7.8
121.02924	1.8
121.06499	3.4
121.10111	4.7
123.11702	1.8
125.09651	2.3
127.03902	1.8
127.11172	32.9
129.05457	2.1
129.06911	2.3
131.08524	3.3
133.10138	5.3
135.07976	2.8
135.11719	3.7
137.05949	3.6
137.13173	1.9
137.92139	1.6
143.08560	4.2
143.10634	2.4
145.10129	7.7
147.07948	2.4
147.11636	7.3
149.13200	2.1
153.01823	8.2
155.08464	3.3
157.10120	5.6
159.11679	6.8
161.06049	1.9
161.09599	2.7
161.13300	2.0
169.10068	2.4
171.11658	4.6
173.09613	6.7
175.11148	7.9
181.10106	2.2
183.11696	4.4
185.09631	2.1
185.13196	2.0
187.14879	1.6
189.16376	1.7
193.12184	4.4
195.11710	3.1
197.13245	2.6
199.14828	1.8
201.12682	7.7
209.13289	2.2
211.14751	1.9
213.12738	2.1
213.16339	2.3
223.14737	3.1
229.15828	2.5
236.15703	2.0
241.15868	5.0
241.19572	2.1
244.68489	1.6
251.17917	6.7
251.52162	1.6
259.16800	2.5
267.17471	2.0
269.18961	26.6
271.16635	2.0
275.15680	1.5
285.18375	7.3
286.19199	6.8
287.20007	69.0
288.20334	3.0
289.17932	2.8
339.23248	2.1
383.12183	1.8
395.29483	8.3
397.30933	6.9
413.30441	100.0
414.30630	6.0
415.31900	9.2
431.31555	13.5
449.32547	49.6
450.32837	3.9
575.35510	3.6
611.37494	2.3
757.42883	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	757.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	4.3
61.02927	4.9
79.05492	5.3
81.03433	3.9
81.07051	5.2
85.02893	9.3
97.02895	4.7
108.15051	4.9
114.56802	3.8
116.24143	4.1
118.03917	3.5
129.74313	4.3
149.64145	4.0
151.80923	4.0
184.07472	6.4
283.15134	4.8
501.23053	18.1
511.08417	4.1
757.46991	100.0
758.46692	10.3
773.13354	4.6
777.24487	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	757.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
57.03434	2.1
57.07068	2.5
60.73154	0.6
61.02935	3.3
67.05508	1.6
69.03426	2.0
69.07065	0.7
69.83228	1.0
69.83545	1.4
71.05003	1.2
71.08640	1.5
73.02919	2.9
78.93170	0.7
79.05482	2.1
81.03389	3.1
81.07045	2.4
83.04876	0.6
83.08627	1.1
84.78135	0.6
85.02908	3.5
85.10189	0.6
91.03957	2.2
91.05476	2.1
93.07048	1.9
95.08604	2.7
97.02901	4.2
98.23442	1.2
101.02390	1.9
105.07042	1.4
107.08582	0.8
109.10152	0.6
119.08620	1.3
121.10113	1.2
129.07031	0.6
131.08530	1.0
136.55255	0.7
149.09702	1.4
163.36006	0.7
243.08537	1.8
267.15988	0.9
283.15225	3.2
296.81781	0.8
299.05960	0.7
313.27383	0.9
341.26785	0.7
497.30807	4.6
501.23032	11.3
582.09863	0.8
757.46991	100.0
758.47327	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	758.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01855	0.9
55.05508	2.2
57.03433	1.4
59.04984	0.3
59.10034	0.2
65.03931	0.4
67.05161	0.4
67.05498	5.4
69.03417	1.2
69.07052	1.5
70.00472	0.3
70.00822	0.4
70.06580	0.3
71.01344	0.4
71.04988	1.8
73.02924	0.3
79.01846	3.1
79.05484	3.6
81.03410	8.2
81.03893	0.4
81.06571	0.2
81.07049	4.2
81.07511	0.4
82.03736	0.3
83.04964	1.6
83.08604	2.1
85.02894	2.5
85.06554	0.2
87.04443	0.3
91.05454	3.6
93.07031	2.7
94.07363	0.2
95.04951	3.0
95.08590	1.8
95.14340	0.2
97.02876	2.2
97.06505	0.6
97.10159	1.1
99.04446	0.5
101.02354	0.2
103.05418	0.2
105.07017	2.1
107.01305	0.7
107.04942	1.2
107.08591	2.0
109.02853	2.0
109.06496	0.6
109.10143	2.6
111.04442	1.1
111.08079	1.0
117.07007	0.9
119.04911	0.2
119.08563	2.2
121.06483	0.6
121.10122	1.6
123.04337	0.3
123.08045	0.6
123.11685	0.5
125.02331	2.3
125.09643	0.8
127.03905	1.7
129.05450	0.5
129.07018	1.1
131.04958	0.3
131.08533	1.5
133.10095	1.2
135.04417	0.4
135.08038	0.6
135.11647	1.0
137.05965	0.3
137.09537	0.4
139.11217	0.4
141.06996	0.2
141.43584	0.2
143.03380	5.6
143.08536	0.3
145.06419	0.3
145.10120	1.2
147.08028	0.5
147.11636	1.1
149.09608	1.1
153.01810	100.0
153.02864	4.8
153.12753	0.7
154.02170	1.5
155.08530	0.2
157.10164	0.9
159.04424	0.2
159.11729	0.5
161.09554	0.4
161.13257	0.5
163.11162	1.3
166.93619	0.2
169.10062	0.2
170.54343	0.2
171.02901	2.3
171.10170	0.2
171.11526	0.2
173.09615	0.5
173.11722	0.5
175.11166	0.7
175.14758	0.4
181.01328	0.3
181.12202	0.6
189.09148	0.2
189.11116	0.4
191.10674	0.9
193.12204	2.7
199.13194	0.4
203.14317	0.4
205.04912	0.3
209.11617	1.2
211.13222	1.5
211.79257	0.2
217.05029	0.2
221.15240	1.0
227.12791	1.1
229.14313	2.1
233.04399	0.7
237.03955	0.4
239.16301	0.5
243.02835	0.3
247.13361	0.3
249.14851	0.5
255.16026	0.3
261.03983	1.3
267.15869	5.0
273.14954	0.3
279.05017	1.1
283.15283	1.7
285.16989	0.2
297.06021	4.7
301.16531	1.4
315.06973	0.4
355.22714	0.4
365.21042	0.5
373.23694	0.4
381.30273	0.2
383.22049	1.2
397.30792	0.4
401.23138	1.1
409.18491	0.4
415.31924	0.4
419.24182	0.6
421.25702	1.6
433.33041	0.3
445.20657	0.6
449.07309	0.5
457.25781	0.5
459.27487	0.3
467.08209	4.6
468.08542	0.3
475.26773	2.3
476.27487	0.3
493.27957	1.5
511.28824	0.3
525.30811	0.3
596.33917	0.4
695.58936	0.2
721.13214	0.2
723.24426	0.3
758.39233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01864	7.5
55.05257	2.3
55.05503	27.1
57.03431	16.5
61.02916	3.2
61.68520	1.7
65.03919	3.6
67.05498	84.9
68.05842	2.2
69.03419	7.5
69.07064	34.4
69.07436	2.0
71.04971	8.6
73.02898	3.5
77.03932	2.5
79.05486	70.9
80.05825	2.8
81.03400	20.8
81.07050	100.0
82.07374	2.5
83.04976	14.3
83.08617	26.5
85.02895	10.3
85.06540	6.1
86.09731	2.8
91.05462	54.2
92.05804	2.2
93.07039	76.3
94.07369	2.5
95.04960	18.5
95.08599	39.8
97.02877	5.5
97.06517	17.7
97.10171	6.3
98.22594	3.6
99.04452	2.2
99.08100	4.7
105.04483	3.1
105.07018	37.1
106.07362	3.1
107.04951	7.9
107.08587	45.2
108.08946	1.7
109.02867	3.2
109.06511	7.0
109.10155	15.4
111.08089	7.7
115.05435	2.9
117.07005	16.4
119.08565	23.7
120.08894	2.0
121.06473	4.2
121.10137	26.6
123.08068	3.9
123.11715	6.3
123.26308	1.8
125.00009	2.7
125.09656	6.0
127.03905	2.9
129.07008	8.2
131.08568	21.1
133.10127	30.6
134.10466	1.8
135.08046	6.1
135.11687	18.9
137.09598	3.6
139.11195	2.0
142.07787	1.9
143.08548	3.1
145.10115	13.8
147.11700	15.9
149.09631	7.4
149.13243	23.9
151.11147	3.7
155.08606	2.8
157.10136	7.3
159.11662	19.7
161.09540	1.8
161.13245	6.1
163.11177	7.0
165.12822	2.3
171.11710	5.6
173.11838	2.0
173.13252	4.8
175.11171	4.8
177.12761	6.0
179.14297	3.9
183.11685	2.0
184.07343	15.7
185.13223	2.4
189.11208	3.0
189.12790	2.4
193.12198	5.8
195.13805	13.0
211.13298	11.8
213.14680	2.0
227.12752	4.3
229.19547	2.4
239.18007	3.9
253.14461	3.5
255.15857	3.8
257.18979	6.1
259.20508	6.6
267.15884	7.8
268.16278	2.0
269.17444	84.1
270.17868	2.7
270.29565	2.2
271.15451	2.5
274.57388	2.0
275.20084	20.9
276.20520	6.3
277.21674	2.5
285.16949	11.9
291.19528	3.4
293.21085	2.5
299.06128	3.4
331.22592	2.6
333.24042	4.0
349.23685	19.3
350.24097	3.3
351.24966	5.1
365.23096	1.9
367.24451	1.8
423.27386	4.4
439.27161	2.3
445.29446	2.6
449.28992	14.8
450.29929	2.2
455.73361	1.8
463.30460	96.3
464.30734	6.8
469.33334	1.7
503.33633	3.2
525.35223	2.3
529.34717	2.7
542.35266	2.5
543.36743	44.5
544.37103	2.2
560.36639	2.8
561.37494	21.3
607.34833	3.2
759.39185	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	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	24.7
57.03434	14.0
67.05499	87.8
67.18128	6.7
69.07059	26.5
69.83588	7.0
70.93021	8.0
71.04958	6.5
73.04754	11.0
74.62265	6.1
79.05496	67.3
81.03397	12.3
81.07052	100.0
83.04987	19.0
83.08591	21.4
91.05457	26.7
91.05894	9.6
93.07036	73.8
95.04947	12.7
95.08597	27.4
97.06508	14.7
105.07030	37.6
107.04917	7.8
107.08585	35.0
117.06996	23.0
119.08593	20.9
121.10134	26.3
131.08533	14.6
133.10118	20.6
135.11679	18.8
137.41640	6.4
143.52254	7.0
145.10182	13.8
149.09572	10.8
149.13234	26.4
159.11694	29.9
166.84807	7.1
167.05540	16.3
184.07355	10.2
195.13858	9.4
257.19125	9.9
268.69489	7.2
269.17444	76.9
275.20065	25.6
299.06100	23.3
349.23755	20.3
387.35037	8.1
449.28741	28.8
456.48282	8.0
457.64767	6.8
463.30469	83.2
543.36511	38.6
549.88489	7.6
617.69165	6.9
701.34717	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	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01866	13.2
55.05507	31.3
57.03433	24.8
57.07066	3.8
59.05018	1.6
60.88146	1.0
61.02927	5.6
65.03931	4.0
67.05499	68.8
68.05852	1.1
69.03424	5.7
69.07063	18.8
69.72477	1.3
69.72831	3.7
71.04986	4.6
73.02900	7.8
77.03918	1.7
79.05487	50.5
81.03406	14.9
81.07051	60.2
82.04199	4.2
83.04976	14.3
83.08614	14.2
84.05750	1.0
85.02890	8.5
85.06532	3.6
91.03944	1.7
91.05475	38.1
93.07037	47.8
94.07806	1.0
95.04961	17.4
95.08599	39.4
97.02881	4.5
97.06532	8.0
97.10162	14.0
98.07338	4.9
99.04459	1.3
101.06008	1.6
105.04497	1.9
105.07021	25.7
106.07826	1.6
107.04943	3.6
107.07836	1.3
107.08582	26.3
109.06519	3.2
109.10146	16.0
111.04466	1.5
111.08096	5.2
116.04704	14.4
117.06976	8.9
119.08568	17.9
121.06509	2.7
121.10130	20.2
123.08076	5.9
123.11727	5.8
125.09634	15.3
127.07551	1.6
129.05469	35.7
129.07001	4.0
131.08562	13.9
133.10112	13.2
133.73093	1.1
135.08066	3.2
135.11671	13.0
136.08839	1.6
137.09610	2.4
139.11214	2.2
142.07805	1.4
143.07018	7.6
143.08591	1.9
145.10106	8.8
147.11685	11.2
149.09590	3.4
149.13223	6.1
151.11197	1.6
157.08598	17.4
157.10097	4.9
158.05815	1.1
159.11681	4.1
161.13223	6.1
163.11160	5.3
163.14810	4.2
165.12762	1.8
169.10136	1.4
171.10146	4.2
171.11597	2.0
173.11778	1.6
173.13277	3.1
175.11209	2.9
175.14818	2.1
183.11681	1.1
187.14810	2.9
189.11176	8.8
189.12605	1.1
193.12224	6.9
199.13283	3.1
199.14876	1.4
200.14087	3.1
209.11716	2.0
211.13278	5.9
220.67110	1.1
224.47942	1.2
227.12755	12.3
228.13445	1.3
229.14276	2.2
243.21104	3.3
255.15947	1.5
255.88132	1.1
259.20401	1.9
261.22153	10.6
262.22202	1.2
267.15842	5.1
268.71579	1.2
277.21637	3.3
283.15335	4.7
285.16998	2.7
301.16425	100.0
302.16797	2.1
317.24902	1.8
335.25757	65.8
336.26251	3.1
351.25259	1.6
389.26505	1.9
527.37201	4.4
543.36566	3.0
545.38232	1.4
561.37817	46.3
562.37634	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76760	3.2
53.03943	8.2
55.01867	8.2
55.05508	41.4
57.03434	26.0
57.07054	4.4
61.02925	3.6
65.03928	6.2
67.05499	78.0
69.03407	8.6
69.07053	27.8
71.04990	6.2
73.02908	4.0
79.05045	6.0
79.05487	85.8
81.02954	6.9
81.03413	79.0
81.07051	94.4
83.04977	23.1
83.08616	34.7
85.02896	36.9
85.06512	4.7
86.09706	14.6
91.05466	100.0
93.07037	80.1
95.04962	43.6
95.08593	43.4
97.02875	7.7
97.06496	8.6
97.10170	13.9
99.08105	7.0
101.30507	3.1
105.04517	4.0
105.07021	91.0
107.04946	9.7
107.08594	44.9
109.06507	11.3
109.10126	22.6
111.04424	4.8
111.08057	10.9
113.06001	4.5
115.05449	5.0
117.07021	22.3
119.08562	79.4
121.06551	5.2
121.10145	28.8
123.08073	4.5
124.99998	11.2
129.06999	22.3
131.08557	51.7
133.10121	56.6
135.11703	20.9
137.09618	4.1
142.07816	4.4
143.08530	19.2
145.10130	33.0
147.08025	3.8
147.11664	59.9
149.09612	9.9
149.13237	15.7
155.08583	4.9
157.10139	25.3
159.11685	22.9
161.13248	29.1
165.12828	4.7
171.11656	12.2
173.13246	11.0
175.11205	20.3
175.14821	12.4
183.11760	4.4
184.07353	46.9
185.13225	14.6
193.12224	48.9
201.77187	3.6
211.13266	59.9
213.16202	5.8
227.12799	13.2
231.21036	6.2
241.19498	22.5
259.20541	61.5
267.15823	28.4
269.17365	8.8
275.20013	8.2
277.21567	3.5
283.15225	3.8
285.16919	57.5
315.23206	7.4
333.24225	49.8
339.23032	4.3
362.14697	3.6
433.30841	8.5
439.26981	5.4
441.20038	3.4
451.32098	10.6
469.32828	5.2
515.36890	5.1
525.35687	32.2
543.36761	74.8
544.37030	5.5
641.42767	3.4
742.53851	4.0
759.38885	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	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.01867	13.2
55.05258	2.3
55.05507	33.9
57.03431	20.8
57.07070	4.0
61.02922	7.3
62.45627	1.6
65.03935	3.5
67.05499	80.2
69.03419	5.6
69.07060	20.7
69.73917	3.3
71.01331	1.4
71.04993	4.8
73.02911	6.3
75.40644	1.6
77.03927	3.1
79.05487	63.8
80.06261	2.2
81.03413	17.3
81.07051	75.2
82.04201	4.3
83.04971	11.6
83.08614	15.0
85.02905	10.5
85.06551	3.2
90.50051	1.5
91.03964	1.8
91.05468	43.2
93.07038	63.0
94.07841	2.5
95.04955	23.3
95.08598	46.8
95.22025	1.7
97.02878	6.6
97.06533	11.5
97.10162	14.2
98.07302	4.0
98.23385	2.7
99.08068	2.0
101.06015	1.8
105.04527	2.9
105.07019	27.1
107.04940	5.4
107.08586	37.0
107.09262	3.4
109.06536	4.8
109.10139	26.1
111.08070	6.8
116.04711	11.4
117.07024	11.6
119.08565	22.4
121.06513	2.9
121.10131	25.2
123.08069	6.3
123.11697	5.7
125.09623	13.9
127.11268	1.7
129.05464	31.4
129.06998	7.4
131.08571	15.9
132.09410	2.1
133.10121	18.5
135.08063	4.4
135.11671	17.0
137.09592	4.6
137.13264	2.6
143.07056	5.9
143.08620	2.5
145.10110	13.4
147.08044	1.8
147.11673	13.2
149.06021	1.7
149.09581	3.2
149.13280	8.7
151.11188	2.2
157.08603	15.2
157.10074	5.2
159.11662	8.1
161.13278	6.2
163.11154	6.5
163.14771	2.9
165.12772	3.1
171.06526	2.1
171.10115	5.4
171.11671	3.8
173.11809	3.2
173.13266	6.4
175.11182	6.0
175.14865	2.8
185.13229	2.3
187.14725	2.8
189.11214	7.5
193.12216	8.2
199.13263	3.5
200.13979	2.5
209.11752	5.3
210.12605	2.0
211.13319	4.7
221.15363	1.9
227.12874	10.7
229.14362	1.7
234.54106	1.7
241.19533	1.9
243.21089	5.4
247.17375	1.8
259.20544	3.5
261.22092	14.0
267.15884	5.6
269.17575	2.1
277.21637	3.6
283.15414	8.5
285.16888	3.2
285.56143	2.0
301.13007	3.9
301.16425	70.3
302.16815	3.6
315.22922	2.2
317.24890	2.0
335.25763	100.0
336.26068	6.9
451.31964	1.8
519.87134	1.6
527.37219	4.5
543.36914	7.7
544.37811	2.7
545.38574	1.9
561.37811	89.9
562.38123	6.9
579.06018	1.8
593.36108	2.5
759.38800	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	758.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.05504	11.5
57.03440	4.1
57.07084	1.7
59.06092	1.0
61.02924	2.5
65.03938	1.9
65.41902	0.9
67.05499	51.3
69.03429	1.9
69.07065	11.1
69.10526	1.7
69.10934	5.1
71.04987	19.7
79.05489	27.2
79.05948	1.5
81.07051	79.9
83.04985	3.3
83.08615	6.5
85.02898	1.9
85.06537	8.7
91.03967	1.1
91.05472	23.0
93.07038	32.1
95.04961	4.6
95.08598	23.2
97.02927	1.0
97.06532	4.0
97.10170	2.2
99.08131	1.1
105.04542	1.7
105.07020	12.0
107.08584	20.2
109.06517	2.0
109.10154	10.7
111.08102	1.3
117.07008	3.6
119.08574	6.8
121.10134	13.9
123.08102	1.2
123.11699	13.7
131.08575	5.6
133.10126	14.8
135.11694	8.7
137.13248	1.0
145.10121	4.4
147.11615	4.5
149.13260	5.0
151.11163	4.7
153.12781	1.5
157.10107	1.1
159.11678	6.5
161.13257	2.8
171.11662	1.0
173.13252	2.4
175.14839	1.2
177.12733	1.9
183.13843	2.3
187.13309	4.2
195.13779	1.7
227.16495	1.1
229.14317	1.7
250.06287	1.0
257.17529	2.1
261.22064	3.1
269.17484	7.2
301.20035	20.1
317.24811	1.9
335.25797	30.8
336.26041	1.2
411.32294	1.6
437.34286	1.2
440.82013	1.1
485.36230	2.8
503.37280	100.0
504.37347	7.4
517.39069	5.4
529.38879	14.1
561.41492	88.0
562.41736	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	759.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01872	1.8
55.05508	2.1
57.03435	2.4
57.07084	0.7
61.02924	5.3
67.05502	4.5
68.05834	0.8
69.03436	2.6
69.07083	1.4
71.05000	3.1
71.42435	0.8
73.02905	4.5
79.05466	4.2
81.03396	4.9
81.07060	3.2
83.05005	1.7
83.08620	1.4
85.02893	8.2
91.03941	3.7
91.05476	2.9
91.05907	0.9
93.07069	3.3
95.04975	1.6
95.08614	2.3
97.02894	5.3
99.04453	1.3
101.02405	1.5
103.03928	1.4
105.07041	2.7
107.04978	0.8
107.08595	2.3
109.02864	1.2
109.06498	0.8
109.10126	1.3
111.04454	1.0
111.08050	1.2
117.05587	0.8
117.07004	1.2
119.08600	2.4
121.10175	2.7
121.44712	0.7
123.04240	1.3
123.08107	0.8
125.09624	1.1
127.03919	1.9
129.05539	2.4
131.08614	1.7
133.10153	1.7
135.11731	0.8
144.10999	0.7
145.10114	1.0
145.65836	0.7
147.11703	1.8
149.09637	1.2
157.10100	1.2
163.11191	1.5
175.11310	0.8
181.55278	0.7
184.07390	1.5
185.04185	6.7
191.10777	0.7
193.12297	1.7
199.05803	1.4
201.03696	1.5
211.13373	0.8
227.12981	1.1
243.08330	5.5
251.12674	2.8
257.02490	0.7
259.68820	0.7
265.14172	0.8
277.14139	1.0
281.13690	1.9
283.15326	1.5
299.06302	1.3
301.08893	14.7
301.12192	1.0
315.10626	3.4
329.11972	1.2
341.12326	1.4
349.16040	3.6
357.15256	1.1
360.10382	0.9
367.17258	1.4
371.16870	0.9
373.11087	4.6
383.16873	2.5
385.18271	9.2
387.12643	1.6
395.16769	2.9
401.14124	1.0
413.17633	1.1
429.17551	1.1
433.25711	3.1
439.19531	1.3
441.21097	1.1
443.18954	6.3
457.20685	1.5
467.19193	1.6
469.20419	11.3
483.22260	2.6
485.19708	4.0
499.21262	6.9
500.22229	0.9
501.23346	3.7
511.21719	1.5
515.24756	4.0
527.21216	1.8
527.28601	1.2
528.21741	5.7
541.22327	6.1
542.23193	1.2
555.24097	1.9
559.24335	1.2
569.26025	2.2
583.29242	1.0
587.26813	1.4
595.30829	1.2
601.28320	0.9
611.30389	3.1
612.30902	4.6
629.31952	1.0
641.30878	1.1
655.26813	7.7
711.35419	2.6
727.35675	2.6
741.36536	3.8
759.37592	100.0
760.37982	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	759.392
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03949	0.8
55.01870	0.9
55.05507	2.1
57.03434	2.1
59.04992	0.3
61.02625	0.5
61.02922	4.3
61.74592	0.3
67.05499	5.5
68.05830	0.4
69.03425	2.8
69.07060	3.2
69.81359	1.1
71.04991	1.1
73.02908	2.8
79.05486	4.8
80.05821	0.4
81.03412	3.4
81.07049	7.3
82.03813	0.3
82.07394	0.7
83.04957	1.7
83.08624	1.4
85.02898	4.8
85.06538	0.4
86.09697	0.4
91.03962	2.1
91.05455	4.3
92.05820	0.5
93.07029	5.7
94.07372	0.4
95.01318	0.4
95.04964	2.0
95.08607	3.5
96.08935	0.3
97.02896	4.3
97.06506	1.4
99.04459	0.8
99.08064	0.4
101.02385	1.3
103.05451	0.4
105.07023	4.9
106.07357	0.7
107.04977	1.9
107.08594	3.1
108.08920	0.4
109.02879	0.8
109.06524	1.2
109.10147	1.4
111.04443	0.4
111.08103	0.8
113.09686	0.4
115.03814	0.3
115.84045	0.3
117.07007	1.7
119.08577	3.4
121.06504	0.5
121.10145	1.8
123.08074	0.8
125.00002	0.5
125.05901	0.4
125.09622	0.4
127.03937	1.2
129.07011	0.7
131.08545	2.3
133.10117	2.7
135.08125	0.4
135.11679	1.9
137.09608	0.6
143.08607	0.4
145.10104	2.1
147.11638	1.4
149.09628	1.4
149.13283	0.7
150.13580	0.3
153.12798	0.4
157.10120	0.5
159.11690	1.4
161.13277	0.7
163.11186	1.9
173.09648	0.4
173.13248	0.4
177.12787	0.5
179.14308	0.7
184.07230	1.4
193.12305	0.5
203.05452	0.4
211.13316	0.5
227.12769	0.4
243.08394	2.3
249.11038	0.5
259.07846	0.3
259.20648	0.5
267.15988	0.4
269.17499	1.1
270.17957	0.8
275.20123	1.1
283.15411	0.6
305.13516	0.4
315.19318	2.9
333.24469	0.3
349.23785	0.4
350.23984	0.3
351.42377	0.3
371.22037	0.6
447.72098	0.3
463.31039	0.8
464.30933	1.1
467.18835	6.5
533.27185	7.1
544.37085	1.0
561.37781	0.5
562.37939	1.1
759.39148	100.0
760.39532	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	759.3922
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03962	0.8
55.01862	4.5
55.05506	2.4
57.03433	2.8
60.08162	2.9
61.02917	4.3
67.05495	4.4
69.03417	3.4
69.07068	2.7
71.07391	1.6
71.42865	0.7
73.02915	2.0
73.04732	1.0
79.05488	3.9
81.03420	2.9
81.07053	6.4
83.04996	1.6
83.08636	1.1
85.02902	3.0
85.06559	0.8
86.09705	11.3
88.67873	0.6
91.03958	1.8
91.05421	4.9
93.07033	3.8
95.04965	2.6
95.08591	3.3
97.02874	3.4
97.06516	7.2
97.10197	0.9
98.98486	1.3
99.04475	1.1
101.02370	0.8
104.10799	1.6
105.07036	3.9
105.21326	0.8
107.04949	1.1
107.08609	2.9
109.10158	1.8
111.08087	1.0
115.83151	0.6
117.07033	1.5
119.08615	2.4
121.06478	1.1
121.10164	1.1
123.08063	0.7
123.30196	0.7
125.00002	8.3
127.03918	1.4
129.07031	0.8
131.08562	2.0
133.10085	3.3
135.08102	0.9
135.11685	1.5
137.09592	0.7
145.10173	2.6
147.11607	0.9
149.09624	1.9
153.59813	0.7
159.11745	1.3
163.11200	2.5
169.31009	0.7
175.83417	0.7
179.14374	0.8
184.07330	39.2
185.07637	1.7
195.16779	0.7
243.08412	4.1
253.14462	2.6
283.15662	0.8
315.19321	2.4
371.22159	1.4
439.19284	0.9
467.18872	6.3
533.27283	8.5
723.38220	0.9
759.39142	100.0
760.39624	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	759.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01849	1.1
55.05508	2.3
57.03430	2.2
61.02915	4.7
63.79009	0.7
67.05493	6.2
69.03426	2.7
69.07066	2.1
70.53406	1.3
71.04981	0.7
73.02921	3.3
77.03888	0.7
79.05486	7.1
81.03416	2.8
81.07040	6.2
83.04981	1.3
83.08617	1.4
83.96526	0.7
85.02903	3.1
85.06556	0.7
91.03944	2.5
91.05421	4.6
93.07043	7.9
95.04959	2.6
95.08592	3.7
97.02882	3.2
97.06540	0.7
97.10248	0.8
99.04488	0.8
101.02368	1.5
105.04524	0.7
105.07028	4.7
107.08589	3.3
117.07025	1.9
119.08574	3.3
121.10163	1.7
127.03887	1.0
131.08589	2.0
133.10143	2.6
135.11720	1.6
143.08636	0.7
145.10129	1.9
147.11700	2.5
157.10135	0.6
159.11720	0.8
167.05586	1.0
171.11722	1.5
185.04109	0.9
243.08432	2.8
247.13033	1.9
267.16000	1.5
299.06256	1.6
301.09033	0.8
309.16574	0.7
315.10422	0.8
335.25958	0.9
373.11044	0.9
413.01010	0.7
437.21500	0.8
465.20963	11.2
466.21375	1.0
487.95685	0.7
495.22253	0.8
535.28595	6.7
537.23383	0.9
727.52502	0.8
759.42749	100.0
760.43140	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	759.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62715	2.2
55.05502	5.4
57.03432	2.6
57.41643	2.2
61.02922	4.5
62.31057	2.9
66.18861	2.9
67.05506	19.3
69.03413	2.8
69.07100	3.0
70.02436	5.2
70.02779	2.3
73.02897	3.0
77.03638	2.6
79.05486	13.7
81.03413	5.3
81.07063	15.2
83.04979	3.8
85.02898	5.7
91.05454	5.5
93.07049	10.2
95.05019	4.3
95.08610	9.6
97.02882	4.4
98.22831	3.4
103.10789	2.4
105.07044	7.2
107.04939	3.0
107.08614	5.7
109.10165	4.5
117.06969	2.4
119.08620	8.3
121.10138	5.6
123.08107	3.2
135.11658	4.0
147.11691	4.3
151.52872	2.3
170.85300	2.3
243.08359	2.8
281.73862	2.8
283.15567	6.6
299.05975	2.8
335.25818	2.7
452.32715	3.6
465.21225	11.2
526.36450	5.9
535.28674	3.9
544.37231	9.5
562.38342	4.3
759.42834	100.0
760.43402	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	760.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
54.34354	0.4
55.01866	1.7
55.05509	3.3
57.03437	2.8
61.02921	4.1
61.94257	0.4
67.05499	8.4
68.05038	2.4
69.03414	3.3
69.05793	0.8
69.07066	2.1
69.10965	2.8
70.06586	100.0
71.04987	3.6
71.06926	0.9
73.02916	3.0
73.85792	0.4
77.03937	0.4
79.05489	8.0
79.39857	0.5
80.05001	0.6
81.03410	4.5
81.07042	8.0
82.06567	1.4
83.04976	3.7
83.07360	0.7
83.08607	2.4
84.08132	0.7
85.02899	10.6
85.06536	0.7
91.03945	2.3
91.05473	6.5
93.07024	5.6
93.07526	0.6
95.04964	2.7
95.08605	4.3
96.08136	2.7
97.02879	3.8
97.06528	1.4
98.06031	0.5
98.09673	0.6
99.04442	1.0
100.07596	0.6
100.95291	0.4
101.02365	1.4
105.07011	4.1
105.07504	0.4
107.04967	1.1
107.08607	3.3
108.08134	0.5
109.02876	0.7
109.06516	0.8
109.10159	2.5
110.06125	0.5
111.04438	4.6
111.08085	1.4
113.05978	0.5
117.07021	1.5
118.97057	0.4
119.08562	4.0
121.10145	4.5
122.74046	0.4
123.08086	0.8
124.07579	0.5
125.09634	0.7
127.03931	1.1
129.05499	0.8
129.06987	0.7
131.08568	2.3
133.10120	2.0
135.11659	2.7
137.05988	0.7
139.11183	0.5
140.07054	2.0
142.08629	6.5
145.10109	3.2
147.08113	0.5
147.11694	1.9
149.09583	1.9
153.12790	1.8
155.08577	0.5
157.10159	1.6
163.11145	3.7
167.06979	0.6
173.09691	0.9
174.60638	0.6
175.11247	1.0
181.12199	2.5
191.10646	2.2
193.12248	2.2
194.71950	0.4
199.35172	0.4
209.11797	0.9
211.13271	0.6
226.17952	0.8
227.12784	2.5
229.14310	1.2
236.16422	5.2
236.18301	0.5
254.17488	9.6
255.18027	0.5
278.17529	1.4
285.16953	0.9
296.18533	8.6
297.19086	0.4
301.16403	0.4
310.20065	1.2
314.19586	11.2
315.19998	0.5
328.21149	2.7
370.22134	4.2
381.31308	0.5
388.23251	10.3
421.73474	0.4
520.33014	0.8
538.33759	6.5
539.34222	0.5
580.34656	6.4
598.35785	98.6
599.35968	5.8
715.05322	0.5
742.39410	1.3
760.41028	63.1
761.41516	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	760.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01871	7.4
55.05502	13.3
57.03429	9.2
60.05656	1.4
60.08158	3.0
61.02926	3.0
65.03941	2.6
67.05497	50.3
69.03423	7.4
69.07063	21.5
71.01341	1.6
71.04984	4.1
71.07370	2.4
73.02936	2.1
74.23302	1.1
79.05489	34.7
81.03401	9.7
81.06564	2.7
81.07048	55.8
83.04974	9.4
83.08594	6.7
85.02898	5.0
85.06509	6.7
86.09699	15.4
88.64183	1.5
91.05466	44.8
93.07034	28.0
95.04967	10.0
95.08592	15.4
97.02911	3.3
97.06505	8.9
97.10161	3.5
98.98462	1.5
99.04460	3.7
105.07023	39.7
107.04944	8.1
107.08582	37.2
109.06506	8.5
109.10148	43.3
111.04385	1.8
111.08090	4.0
113.06020	2.7
113.09684	1.5
117.07027	8.7
119.08569	11.6
121.06505	3.9
121.10149	9.4
123.08064	2.0
123.10909	1.7
123.11678	6.6
124.99953	9.5
125.09622	4.5
127.03876	1.5
127.07558	2.7
128.06160	1.3
129.06978	2.0
131.08559	9.8
133.10115	57.9
134.10416	2.0
135.08035	2.3
135.11699	7.8
137.09598	2.0
143.08580	2.1
145.10101	6.9
147.08003	1.4
147.11681	4.9
149.09628	8.8
149.13248	4.9
151.11169	28.8
152.11574	1.3
157.10092	3.3
159.11679	5.2
161.09599	2.2
161.13200	2.6
163.11142	5.7
167.05455	1.4
169.12227	4.7
171.11644	1.7
173.13254	3.3
179.14221	2.0
181.12279	1.7
183.11717	1.4
184.07318	48.1
189.11127	1.5
193.12221	1.4
195.13748	1.6
211.13194	1.2
215.12750	3.1
227.12753	4.1
239.17807	2.1
247.20592	1.6
253.14319	100.0
254.14706	2.7
255.15875	5.0
257.18988	4.2
267.15683	1.5
269.17303	6.4
271.15390	26.1
273.18369	1.5
275.20032	16.6
279.19556	1.9
291.19540	5.0
293.20749	1.4
349.23660	11.8
365.22980	2.1
423.23682	1.9
425.25281	1.6
451.27051	10.2
465.28412	34.9
466.29047	1.6
519.32892	3.3
527.33154	2.1
545.34595	25.7
546.34949	2.5
563.35681	8.6
609.32617	1.6
689.38214	2.0
760.39752	4.7
761.41003	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	760.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.05506	6.2
57.03433	9.7
59.04998	1.1
61.02919	2.5
67.05493	13.5
69.03416	4.6
69.07061	8.4
69.54475	4.5
70.06589	12.5
71.01344	1.1
71.04985	69.7
73.02906	4.9
73.04733	1.1
75.04467	6.7
79.05470	3.7
79.24860	1.0
81.03404	3.1
81.07041	10.0
83.04516	1.7
83.04974	16.8
83.08614	1.6
85.02895	100.0
87.04449	2.9
88.35864	0.9
91.05421	2.7
91.62203	1.0
93.07023	3.8
95.04928	2.9
95.08604	11.5
97.02852	6.4
99.04430	3.0
105.07008	5.6
107.04926	1.3
107.08595	4.3
109.02829	1.3
109.06502	1.1
109.10142	90.4
111.04427	9.5
117.07007	1.2
119.08527	1.8
121.10119	3.9
123.11774	1.2
127.03915	5.9
127.11180	40.6
129.05466	34.7
129.06436	1.3
131.08539	3.7
133.10139	5.0
135.11693	3.0
137.05954	7.3
143.08582	1.3
145.04936	3.5
145.06369	1.1
145.10104	3.2
146.08072	3.2
147.06494	17.4
147.11732	5.1
149.13275	1.9
151.03836	1.6
151.07506	1.3
151.14700	1.2
156.84952	1.0
157.10085	2.4
159.04286	1.3
159.11639	5.5
161.13240	2.0
163.06013	1.4
164.09180	7.3
165.09065	1.1
167.05588	1.7
167.07074	3.1
173.13246	1.9
175.11188	1.7
175.14864	1.1
177.16322	1.8
178.20010	1.2
185.13174	1.3
197.13304	1.4
199.14738	2.1
201.16437	2.2
203.14211	1.1
203.17804	1.3
203.58411	1.0
213.16423	1.6
237.07584	1.3
253.19537	1.5
255.08551	1.3
255.21007	8.0
259.24084	1.4
269.18973	1.8
271.20605	1.9
273.09692	2.5
273.18997	1.0
273.22037	3.3
287.19940	3.6
289.21536	1.3
296.18411	1.5
307.24069	1.4
309.11578	2.9
317.24704	1.2
325.25098	2.3
363.30383	3.2
381.31390	15.5
382.31387	1.4
387.14316	1.5
399.32510	35.2
400.32755	1.6
417.33572	21.1
418.33350	1.2
435.34607	22.8
459.16498	1.5
598.35638	8.9
617.54279	1.1
760.29059	16.1
760.41321	5.1
761.28259	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	761.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
61.02909	1.2
67.05495	2.1
70.06604	0.6
71.04982	0.7
71.42017	0.5
79.05457	0.8
80.15331	0.5
81.03413	0.5
81.07043	1.5
85.02892	1.9
91.05459	0.8
93.07041	1.0
95.04960	0.7
95.08605	0.5
97.02890	0.7
99.04433	0.5
105.07008	0.8
125.00001	0.7
135.11656	0.7
145.10088	0.5
166.79555	0.5
180.59418	0.5
184.07323	1.0
242.45889	0.6
243.08342	0.7
267.09070	1.3
285.09955	0.9
328.25391	0.6
371.04514	0.6
413.17834	1.3
467.18845	1.9
485.17181	1.1
501.16296	0.8
501.23257	0.7
639.29272	1.7
657.28882	100.0
658.29230	7.5
743.32776	0.9
761.33142	19.7
762.33929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	2.2
57.03414	1.6
61.02906	2.2
62.55251	0.9
67.05478	3.8
69.03396	1.4
69.76479	4.2
71.04980	2.4
74.42809	1.0
79.05486	1.8
81.03384	3.0
81.07038	2.6
83.04945	1.0
85.02874	4.6
86.90874	1.0
91.05450	1.3
93.07030	2.5
95.04947	1.3
95.08595	2.9
97.02842	2.4
98.97517	1.3
105.07000	1.3
109.10130	3.1
119.08536	1.4
121.10146	1.5
122.09690	1.5
127.03897	1.6
129.05487	1.1
131.08490	1.3
133.10124	1.5
135.11667	1.0
153.01816	16.2
188.12933	1.0
193.12053	1.1
194.70180	1.2
209.29361	1.1
243.08693	1.3
267.08936	5.5
283.15146	1.4
285.10165	5.1
303.80222	1.0
308.37341	1.1
317.06113	2.2
339.15375	1.6
397.16367	1.4
401.15643	3.1
443.16638	7.4
469.20374	1.3
481.25320	3.7
485.16388	1.9
501.16568	1.7
501.22638	5.9
508.90799	1.1
515.18738	1.6
517.20258	4.6
527.25800	3.0
545.19983	10.2
561.19061	1.9
589.22083	4.4
617.25122	2.7
629.28900	3.3
631.26245	1.4
657.29456	13.7
659.30450	6.0
701.31592	1.4
715.32922	1.3
743.32574	3.2
744.32977	1.4
761.33008	100.0
762.32782	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	761.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
55.05499	1.1
55.57598	0.5
57.03426	2.2
57.66879	0.5
61.02925	3.5
67.05497	4.8
69.03426	2.2
69.07063	1.1
70.54537	1.0
71.04990	1.1
78.71873	0.5
79.05489	1.1
81.03410	1.7
81.07058	1.7
84.01893	0.8
85.02902	4.4
91.03947	3.1
91.05486	0.7
93.07036	1.0
95.01090	0.9
97.02887	3.2
97.10208	0.5
99.04427	1.1
101.02391	0.9
103.03938	0.5
105.07036	1.0
107.07341	0.8
107.08612	1.1
109.02843	0.7
109.10139	4.8
115.03904	0.6
117.05482	1.0
119.08611	0.8
121.10138	0.5
122.09647	2.9
123.04172	2.0
125.09637	1.0
127.03876	1.5
129.05501	1.2
131.08575	0.7
150.10211	0.9
155.10747	0.8
173.11786	1.9
181.04683	3.5
184.03467	1.1
184.07367	1.2
185.04181	8.5
185.11806	0.7
195.09901	2.9
199.05736	2.6
201.03664	4.2
204.10547	0.5
207.13599	0.7
210.14880	0.8
221.11366	2.5
223.13199	0.6
227.05275	1.9
229.14386	1.4
235.13078	1.8
237.10907	0.6
240.53540	0.6
241.06760	0.8
243.08282	3.1
251.12489	0.9
259.07837	0.7
265.14163	2.1
283.15213	0.5
293.13556	4.1
301.08893	21.7
302.09427	1.1
307.15173	0.7
311.14697	2.3
313.08932	0.8
315.10504	4.1
317.08688	0.7
329.12000	1.1
339.14096	3.4
341.12115	1.2
343.13962	1.0
349.23422	0.8
355.14072	0.7
357.15332	1.6
360.10165	1.7
369.15237	1.7
373.11005	9.2
377.23120	2.3
383.16785	1.9
385.18283	13.0
386.18427	0.7
387.12759	1.5
397.18686	0.7
413.17819	18.4
414.17902	0.6
415.15622	1.5
423.23956	0.7
429.17303	6.4
430.17801	0.7
439.19418	0.7
443.18893	1.8
444.19656	2.3
457.20746	1.5
469.27426	0.7
485.19720	10.2
499.21237	3.0
501.23465	0.6
513.23328	3.9
527.24597	0.8
541.26263	1.2
555.27838	5.6
557.27777	1.1
569.29211	1.1
585.28680	1.5
595.31549	1.0
597.28644	1.1
611.30292	1.4
639.30225	1.8
640.30005	1.2
657.30829	100.0
658.31000	6.8
715.33197	1.0
743.36041	0.6
761.36389	16.0
762.36853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25416	0.8
55.05502	2.7
55.52654	0.8
57.01837	0.8
57.03445	0.9
57.30017	0.8
67.05506	5.6
68.05826	1.0
69.07076	6.5
69.07504	1.7
71.04984	1.1
79.05473	2.2
81.03412	1.4
81.07050	4.0
83.04958	1.0
83.08583	1.1
91.05519	1.4
93.07037	1.7
95.08609	2.5
105.07050	1.2
109.10151	1.6
119.08585	1.5
133.10104	1.0
145.10132	1.3
148.82790	0.9
162.59653	0.9
163.11218	1.1
229.14343	1.0
337.27554	2.1
407.99527	1.0
504.26978	0.9
535.26758	1.5
546.38605	1.7
564.39734	1.3
692.62329	1.0
699.73187	1.0
761.38568	100.0
762.39026	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	761.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03424	1.6
59.04994	1.2
61.02924	4.3
63.69444	0.5
65.03929	0.7
67.05501	2.5
69.03412	2.5
69.07077	0.8
71.04990	1.9
71.83582	0.5
73.02918	3.0
79.05491	3.5
81.03412	5.4
81.07044	2.6
83.04984	0.8
83.08628	1.3
85.02898	4.9
85.06541	0.7
91.03956	1.9
91.05455	5.1
93.07034	3.6
94.04202	0.6
94.81956	0.5
95.04966	2.3
95.08601	1.2
97.02881	3.5
97.06530	0.9
98.22725	1.8
98.23412	1.7
99.04430	0.9
101.02384	1.5
101.69862	0.5
103.03955	0.6
103.05465	1.4
105.07013	2.4
107.04949	1.2
107.08613	1.4
109.02876	0.6
109.06520	0.8
111.08121	0.9
115.05473	1.2
117.07066	0.8
119.08585	1.9
121.01249	0.5
121.06541	0.6
121.10099	2.8
125.05988	0.6
127.03954	0.6
129.07028	1.7
131.04924	1.7
131.08534	2.8
133.02856	2.5
133.06502	0.6
133.10165	1.4
137.05972	4.3
139.98825	0.6
145.06480	0.8
147.04417	0.5
147.11711	2.0
148.05222	0.6
149.09599	3.4
151.03911	1.8
151.07584	1.1
157.10141	2.0
161.06017	1.5
163.07578	1.5
167.07036	4.8
175.11171	1.7
177.05486	0.8
179.07054	0.6
181.05005	2.3
191.07013	3.7
193.12270	2.6
197.15421	1.0
203.05284	0.8
203.07051	0.9
207.06532	1.2
211.13318	0.7
219.64488	0.5
225.14935	1.5
243.08453	2.7
267.15964	1.8
283.15115	7.0
294.29523	0.5
297.11285	0.8
323.09219	0.7
329.10233	0.6
339.17871	1.8
353.10382	0.6
355.11899	0.7
357.13309	0.7
469.20624	1.0
501.23010	27.7
502.23459	2.0
565.20697	2.2
592.52893	0.6
599.32672	0.7
630.61310	0.6
678.26007	0.7
760.57227	0.8
761.39203	100.0
762.26093	0.9
762.39581	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	761.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01873	1.1
55.05525	2.1
56.05841	0.4
57.03428	2.1
60.08173	0.8
61.02921	3.9
61.56792	0.4
65.03957	0.5
65.19437	0.3
65.95219	0.3
66.04752	0.5
67.05499	5.8
68.01674	0.3
69.03122	0.4
69.03423	2.5
69.07079	2.3
71.04987	1.3
71.07367	0.5
73.02907	3.0
79.05490	4.5
80.05859	0.5
81.03420	4.9
81.07053	6.5
81.07499	0.5
82.07375	0.7
83.04984	1.8
83.08632	1.2
85.02903	5.1
85.06534	0.6
86.09700	3.9
86.52212	0.5
87.10045	0.7
91.03961	2.7
91.05453	6.4
92.05840	0.4
93.07043	4.4
94.07389	0.7
95.04968	2.5
95.08593	3.0
95.94032	0.4
96.05296	0.4
96.08961	0.5
97.02879	4.1
97.03395	0.4
97.06541	1.4
97.10179	0.7
98.22615	0.7
98.98465	0.5
99.04478	0.9
101.02396	1.6
105.07020	5.9
107.04961	0.8
107.08596	4.0
108.08933	0.7
109.02888	0.6
109.06530	1.4
109.10155	3.8
110.10504	0.7
111.08058	0.6
117.07022	0.8
119.08563	2.9
121.06505	0.8
121.10178	1.6
123.08067	0.7
123.11732	0.6
124.11983	0.4
124.99992	2.6
125.09639	0.5
127.03863	2.0
127.28027	0.4
129.07059	1.4
131.08546	2.4
133.10124	5.1
134.10448	0.5
135.11705	1.1
143.08594	0.4
145.10168	1.6
147.11674	2.0
149.09631	1.0
149.13319	0.8
151.11171	1.8
157.10155	1.4
159.11775	1.0
161.09686	0.4
161.13348	0.4
163.11169	0.7
169.12289	0.4
175.11272	0.6
184.07326	12.2
184.08868	0.7
185.04265	0.4
185.07611	1.8
193.12303	1.2
211.13356	1.1
243.08379	2.8
251.12692	1.2
253.14330	5.6
253.16557	0.5
254.14769	2.7
255.15968	0.8
257.19171	0.8
271.15463	1.3
272.15802	0.5
275.20178	2.3
276.20493	0.5
307.15286	0.4
309.94019	0.4
315.19351	1.5
327.19360	0.5
331.18832	0.5
349.23804	0.7
350.24109	0.4
371.21790	0.6
452.27045	0.7
453.21158	0.8
465.28522	0.8
466.28925	2.0
469.20441	9.8
470.20569	0.5
533.27191	4.2
534.27631	0.8
537.20636	0.4
546.35028	2.2
564.35785	0.6
623.95514	0.5
761.40741	100.0
762.40967	9.7
788.95441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01876	0.6
55.05502	1.0
57.03429	1.4
60.28182	0.3
61.02920	3.9
67.05492	2.8
69.03419	2.3
69.07056	3.0
69.20111	1.8
73.02911	3.0
79.05492	3.6
80.69657	0.3
81.03403	2.7
81.07048	3.3
83.04997	0.5
83.08619	1.3
85.02899	4.1
91.03957	1.6
91.05463	3.7
91.05874	0.3
93.07031	2.2
95.01296	0.5
95.04987	1.1
95.08593	1.8
97.02901	3.1
97.06554	0.9
98.23566	0.5
99.04494	0.7
101.02399	1.5
104.99485	0.3
105.07018	4.5
107.04927	1.7
107.08611	1.1
109.02869	0.5
109.06484	0.4
109.10124	0.5
111.08094	0.4
115.03909	0.3
117.07027	0.6
119.08568	2.7
121.10135	0.8
123.08161	0.4
127.03954	0.9
129.06995	0.9
131.08586	1.4
133.10098	1.9
134.16702	0.3
135.11743	0.8
142.07768	0.5
145.10100	0.8
147.11688	0.9
149.09631	1.1
157.10167	0.8
159.11676	0.8
161.13254	0.4
179.14314	0.6
184.07405	0.9
187.33084	0.3
193.12257	0.6
243.08424	2.6
251.12463	0.8
272.16632	0.4
275.20096	0.7
315.19217	2.5
344.46246	0.4
371.21964	1.0
438.44699	0.4
469.20529	5.4
470.20895	0.4
497.43719	0.3
533.27167	9.7
534.27795	0.5
761.40717	100.0
762.40991	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	761.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05506	1.0
57.03428	1.9
60.08230	0.4
61.02922	3.7
61.54090	0.4
67.05495	3.1
69.03426	1.9
69.07063	2.5
71.04968	0.7
73.02905	2.5
79.05477	2.7
81.03416	3.8
81.07051	3.8
83.04977	0.9
83.08627	1.3
85.02900	5.2
87.04485	0.5
91.03963	2.5
91.05487	3.3
93.07027	2.2
95.04963	1.2
95.08611	1.5
97.02870	3.2
97.06525	0.9
99.04439	0.5
101.02412	1.5
105.07014	3.1
107.04947	0.8
107.08602	0.9
109.02901	0.8
109.10125	0.7
111.08096	0.6
117.07071	0.5
119.08612	1.9
121.10186	1.2
122.20392	0.5
127.03965	1.3
127.39571	0.5
129.07016	1.1
131.08583	1.3
133.10150	1.8
135.11688	0.7
145.10138	0.7
147.11740	1.7
149.09660	0.5
157.10164	0.9
159.11688	0.5
175.11180	0.9
179.14355	0.6
185.04286	0.5
192.34210	0.6
193.12283	1.2
211.13470	0.7
220.08408	0.3
243.06264	0.5
243.08337	2.2
251.12601	1.0
274.29953	0.4
307.15024	0.6
315.19373	4.1
371.21808	0.6
469.20355	10.4
470.20889	0.7
533.27209	4.6
613.90045	0.5
761.40717	100.0
762.40985	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	761.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.86734	0.5
55.01863	0.7
55.05508	1.8
57.03433	1.7
61.02928	3.9
67.05499	3.5
68.87048	0.4
69.03418	2.8
69.07079	2.0
69.74996	1.5
71.05000	0.7
73.02911	3.2
73.04082	0.4
77.48235	0.3
79.05479	4.7
81.03421	2.2
81.07054	4.2
83.04988	0.8
83.08627	1.0
85.02897	4.3
91.03926	2.2
91.05454	3.9
93.07033	5.0
95.04958	2.0
95.08600	2.5
97.02901	2.9
97.06549	0.9
99.04466	0.8
101.02386	1.6
105.07018	3.3
107.04885	0.8
107.08586	2.6
109.02872	0.9
109.06505	0.8
109.10165	0.5
111.08046	0.5
117.07059	1.4
119.08569	3.3
121.10169	1.1
123.08109	0.5
127.03921	1.3
129.07018	0.6
131.08598	1.6
133.10141	2.3
135.11720	0.8
145.10117	1.1
147.11720	1.1
149.09613	0.7
157.10147	0.9
159.11717	0.7
161.13301	0.7
163.11209	1.0
184.07376	1.4
185.04247	0.9
188.26768	0.4
193.12244	0.8
243.08403	2.5
249.10934	0.4
251.12527	0.9
269.17596	0.5
315.19379	0.8
371.21884	0.5
373.11514	0.4
385.18640	0.5
417.22134	0.4
465.21136	1.4
467.19043	3.9
469.20163	2.2
533.27203	3.2
535.28674	5.4
597.18317	0.5
635.06812	0.4
663.34131	0.4
761.40680	100.0
762.41034	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	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05510	3.2
57.03429	2.9
61.02925	4.3
64.20229	0.5
65.03944	0.7
67.05496	9.8
68.05829	0.8
69.03413	3.3
69.07069	2.9
69.64093	2.1
71.04986	0.8
73.02909	2.7
79.05478	7.7
80.05842	0.9
81.03409	14.2
81.07052	11.3
82.03751	0.9
82.07389	1.4
83.04990	1.8
83.08629	3.0
85.02898	4.0
86.09702	2.0
91.03958	2.7
91.05464	6.1
93.07034	7.8
94.07362	1.4
95.04956	5.0
95.08597	6.5
95.45438	0.7
95.99406	0.6
96.08948	0.7
97.02862	4.2
97.06553	0.9
97.10175	0.8
99.04473	1.0
101.02375	1.5
103.03985	0.7
105.07025	5.4
106.07381	0.9
107.04958	1.5
107.08573	4.1
109.02913	0.7
109.06532	0.9
109.10168	2.4
111.08066	1.5
112.63477	0.7
117.07051	1.5
119.08572	3.7
121.10114	3.2
122.04507	0.7
122.10448	0.7
123.08070	1.1
123.11678	0.7
125.00027	1.5
127.03912	1.5
129.07010	2.0
131.08600	2.6
133.10098	2.8
135.08055	0.8
135.11708	2.5
142.07803	0.6
145.10146	2.0
147.08147	0.6
147.11697	2.0
149.09650	1.0
149.13283	0.9
157.10132	1.8
159.11763	1.0
163.11171	1.4
173.13190	1.3
175.11205	1.2
179.14377	0.8
181.12152	0.6
184.07304	6.8
184.08650	0.6
185.04091	0.6
185.07651	0.7
193.12204	3.7
211.13243	0.8
235.13216	0.7
243.08484	2.6
261.22113	1.3
262.22632	1.1
267.15921	8.9
268.16312	3.4
284.18448	0.6
285.16440	0.6
297.89536	0.6
302.14618	0.7
317.21011	0.8
333.20361	1.5
335.25809	5.6
336.26123	5.4
451.19324	5.2
453.20825	1.3
467.18884	3.0
527.37299	2.2
528.37659	5.2
535.28955	1.6
545.38574	1.0
546.38605	4.3
549.26270	1.0
551.28180	0.7
761.40680	100.0
762.41071	9.2
762.54822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19720	0.2
63.02365	0.7
77.03958	0.3
78.04694	0.6
79.05481	0.6
85.92692	0.2
87.89407	0.2
88.42255	0.2
89.03905	7.4
89.04449	0.5
91.05485	1.4
95.04967	1.2
102.04693	0.2
103.05454	12.3
105.04504	0.3
105.07021	3.7
106.04155	0.7
107.04935	1.6
115.05445	1.0
117.03362	20.5
117.06982	0.4
121.06493	0.5
129.06906	0.3
130.04178	0.4
131.04910	26.4
132.05240	0.5
133.06471	2.4
134.03622	1.5
135.04457	1.6
135.08012	0.3
137.05977	2.2
145.02829	49.4
146.03192	0.9
147.04431	0.4
149.05960	7.3
151.07535	0.3
155.57573	0.2
158.07268	0.3
161.05954	7.6
161.09584	0.5
162.06717	0.9
163.03836	1.2
163.07518	9.9
163.08873	0.5
175.07556	0.4
177.05444	100.0
178.05768	2.3
179.10695	0.4
186.05463	1.0
187.07516	0.5
189.05418	0.5
207.08102	0.3
219.08026	0.4
219.10110	0.5
228.23502	0.3
231.06535	0.4
233.09633	0.4
237.09058	0.5
247.05846	0.3
265.08472	0.6
273.89093	0.2
277.08340	0.5
293.11536	0.6
295.09586	0.6
309.11292	0.3
325.14206	0.6
337.10553	0.5
341.13736	0.3
353.09833	0.3
353.13843	0.4
395.14822	1.7
501.80975	0.3
519.19501	0.4
555.33502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05495	0.4
56.05036	0.9
57.03419	0.4
58.06612	0.6
59.07384	0.2
60.08161	5.6
61.02917	0.5
67.05505	1.2
69.03419	0.4
69.07066	0.3
70.06570	0.2
71.04951	0.2
71.07366	3.6
73.02898	0.4
79.05490	1.1
81.03400	0.6
81.07054	1.2
83.04962	0.2
83.08603	0.2
85.02897	0.5
86.09699	29.5
87.10025	0.3
91.03933	0.3
91.05458	0.9
93.07034	1.0
95.04937	0.4
95.08601	0.5
97.02876	0.5
98.98455	3.4
101.02386	0.3
104.10737	2.2
105.07011	0.8
107.04917	0.2
107.08590	0.6
109.10163	0.2
111.08028	0.2
112.82010	0.2
113.06004	0.2
113.33002	0.1
115.88419	0.1
117.07001	0.2
119.08572	0.5
121.10171	0.3
124.99992	19.7
129.06990	0.2
131.08511	0.2
133.10098	0.5
135.11673	0.2
143.01086	0.2
145.10135	0.2
147.11789	0.2
159.11674	0.3
171.11633	0.2
175.11108	0.2
177.59470	0.2
184.07326	100.0
185.07669	1.1
239.16339	0.2
243.08473	0.3
453.20975	0.2
469.20691	0.4
535.28577	0.2
674.36530	2.0
728.44611	2.0
729.45117	0.3
744.44464	1.2
762.41016	4.7
763.42151	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	762.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05495	0.4
56.05036	0.9
57.03419	0.4
58.06612	0.6
59.07384	0.2
60.08161	5.6
61.02917	0.5
67.05505	1.2
69.03419	0.4
69.07066	0.3
70.06570	0.2
71.04951	0.2
71.07366	3.6
73.02898	0.4
79.05490	1.1
81.03400	0.6
81.07054	1.2
83.04962	0.2
83.08603	0.2
85.02897	0.5
86.09699	29.5
87.10025	0.3
91.03933	0.3
91.05458	0.9
93.07034	1.0
95.04937	0.4
95.08601	0.5
97.02876	0.5
98.98455	3.4
101.02386	0.3
104.10737	2.2
105.07011	0.8
107.04917	0.2
107.08590	0.6
109.10163	0.2
111.08028	0.2
112.82010	0.2
113.06004	0.2
113.33002	0.1
115.88419	0.1
117.07001	0.2
119.08572	0.5
121.10171	0.3
124.99992	19.7
129.06990	0.2
131.08511	0.2
133.10098	0.5
135.11673	0.2
143.01086	0.2
145.10135	0.2
147.11789	0.2
159.11674	0.3
171.11633	0.2
175.11108	0.2
177.59470	0.2
184.07326	100.0
185.07669	1.1
239.16339	0.2
243.08473	0.3
453.20975	0.2
469.20691	0.4
535.28577	0.2
674.36530	2.0
728.44611	2.0
729.45117	0.3
744.44464	1.2
762.41016	4.7
763.42151	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	763.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49710	0.5
55.90994	0.5
57.72744	0.5
61.02909	1.2
67.05514	1.5
69.03422	0.7
69.07101	0.8
70.06586	1.7
71.04984	0.7
73.02914	1.3
75.82236	0.5
79.05478	1.7
81.03425	2.0
81.07051	1.5
85.02912	2.1
86.50687	0.7
87.42870	0.6
91.03942	0.8
91.05482	2.1
93.07059	1.9
95.04954	0.8
95.08653	0.6
97.02897	2.2
97.06538	0.7
105.07029	1.4
107.08611	1.2
116.31712	0.5
119.08591	0.9
121.10165	1.4
122.09673	0.7
127.03928	0.7
127.11140	0.6
131.04961	0.6
133.10185	1.0
137.05975	1.6
137.09598	0.6
149.09657	0.7
151.03923	0.8
153.01830	0.6
155.74297	0.5
163.11250	0.6
167.07086	0.7
267.15979	0.7
283.15149	1.0
309.34360	0.7
469.19687	0.6
485.20187	1.6
501.22891	3.8
503.20132	0.9
621.34833	0.6
685.33881	2.1
745.35046	2.5
763.35291	100.0
764.35516	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	763.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.03421	2.6
61.02921	5.3
67.05504	8.4
69.03423	3.3
69.07063	1.3
69.34159	5.1
70.06580	1.4
70.07407	0.9
71.04990	1.9
73.02905	3.3
79.05486	2.8
81.03413	6.7
81.07051	3.8
83.04981	1.4
83.08611	2.1
85.02901	5.7
86.66799	0.9
87.04475	1.1
91.03944	3.5
91.05485	4.0
93.07022	2.5
94.87039	0.9
95.04966	2.1
95.08589	1.6
97.02900	4.8
99.04412	1.3
101.02394	1.1
105.07023	1.9
107.08594	2.1
108.69973	0.8
109.10131	6.2
111.08093	0.9
115.03893	0.9
119.08546	1.7
121.10133	3.1
122.09672	1.4
127.03867	1.9
131.04839	1.0
131.08531	0.9
133.10110	1.1
135.11674	1.5
147.11673	1.7
149.09621	3.4
150.09094	0.9
155.10677	1.1
173.11755	2.0
193.12183	1.7
201.84091	0.8
243.08401	2.7
283.15158	3.5
413.17834	13.4
469.20251	1.3
501.22995	15.2
562.07245	1.1
601.30103	1.3
605.77356	1.3
659.32135	5.0
673.34027	100.0
674.34595	9.2
699.34851	3.2
745.35028	1.7
763.36719	22.5
764.35516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42995	0.6
55.05502	0.7
55.37854	0.6
57.03424	1.1
58.65987	0.5
61.02916	1.1
67.05502	3.3
69.62197	1.1
69.62569	2.2
73.02930	1.1
79.05486	1.5
81.03403	1.2
81.07059	2.5
82.00358	0.6
83.08591	1.0
85.02895	1.3
86.09708	0.9
91.03951	0.7
91.05489	1.4
93.07037	1.2
95.08611	0.8
97.02901	1.0
98.22719	0.7
105.07043	1.1
109.10182	0.8
127.03926	0.7
130.12227	0.6
143.58775	0.7
161.35716	0.6
183.58403	0.7
184.07375	3.4
209.95192	0.7
220.43428	0.6
267.15970	0.7
300.73438	0.6
427.19766	0.8
467.18732	0.9
485.19894	1.0
519.29419	2.7
535.26434	1.6
591.31250	0.8
691.39667	1.4
705.42133	2.0
740.63593	0.8
745.41589	2.1
763.40369	100.0
764.40771	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	763.397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31451	0.4
55.80771	0.4
60.08162	0.8
61.02918	1.6
67.05495	1.7
69.03423	0.5
69.07056	0.7
69.66885	1.7
71.07365	1.1
73.02905	0.8
76.64777	0.5
79.05497	1.5
81.03413	0.8
81.07052	1.9
83.04987	0.7
83.08649	0.6
85.02892	1.5
86.09689	5.5
87.10040	0.8
91.03951	0.8
91.05473	1.2
93.07044	1.5
95.04954	0.6
95.08619	1.2
97.02893	1.3
98.23507	0.7
105.06982	0.6
107.08572	1.0
109.10201	0.7
119.08600	0.5
123.36803	0.4
124.99993	3.7
127.03912	0.7
135.11781	0.5
147.11626	0.5
184.07323	19.0
185.07751	2.1
197.23801	0.5
220.27589	0.5
220.71931	0.6
307.40555	0.5
409.06137	0.5
441.16983	0.6
467.18839	0.8
485.18478	0.7
519.29236	1.5
535.26526	0.5
548.39886	0.6
553.68121	0.5
677.34979	0.7
713.45758	1.2
714.42352	0.5
717.41486	1.0
730.72089	0.5
737.20087	0.6
745.41211	2.2
763.40436	100.0
764.40692	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	763.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.23247	0.6
57.02150	0.6
60.08167	2.5
61.02925	1.6
67.05509	2.1
69.03439	1.1
69.97636	1.2
69.97973	1.2
71.07372	1.2
73.02915	1.1
73.77924	0.5
79.05491	1.4
79.35297	0.6
81.03417	2.1
81.07054	2.2
83.08600	0.7
85.02904	1.2
86.09698	11.1
87.10038	1.4
90.60583	0.6
91.03955	0.6
91.05483	1.7
93.07050	1.2
95.04972	1.1
95.08618	1.4
97.02893	1.2
98.98479	2.1
104.10753	0.9
105.03410	0.7
105.07049	1.3
107.08602	0.8
121.10139	0.6
124.99996	9.5
125.09903	0.6
184.07324	36.1
185.07706	4.3
212.60805	0.6
267.09109	1.0
302.55182	0.6
410.79254	0.6
467.18607	0.8
519.29309	0.9
526.72900	0.6
535.26721	0.8
551.34338	0.6
594.72620	0.6
713.46094	1.8
745.41187	1.9
746.41565	0.8
763.40460	100.0
764.40765	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04027	0.8
55.01960	0.6
55.05627	1.7
57.03255	1.4
57.03559	2.3
57.07184	0.8
59.59187	0.6
61.02725	3.2
61.03081	4.9
67.05286	4.1
67.05694	4.7
69.03203	2.2
69.03632	2.6
69.06844	2.0
69.07250	1.3
71.01169	0.7
71.53028	0.6
73.02688	3.9
73.03149	3.5
79.05246	5.2
79.05778	3.7
81.03165	3.2
81.03704	2.3
81.06807	6.4
81.07350	4.5
83.04779	1.5
83.05196	1.2
83.08392	1.3
83.08828	0.8
83.64164	0.6
84.15212	0.7
85.02654	5.5
85.03232	3.0
86.09987	0.9
91.03688	2.9
91.04321	1.5
91.05206	3.8
91.05830	1.7
93.06766	6.8
93.07446	3.1
95.04698	1.8
95.08339	3.7
95.09026	1.8
97.02608	4.8
97.03299	1.9
97.06339	0.9
97.09961	0.9
99.04247	1.1
99.07890	0.7
101.02090	2.5
101.02805	1.4
105.06740	3.4
105.07498	1.2
107.08302	3.4
107.09084	1.2
109.02608	1.6
109.03283	0.8
109.06317	0.9
109.09943	0.9
109.10573	0.7
116.11020	0.6
116.21910	0.6
117.06760	1.3
118.88380	0.6
119.08320	1.4
121.09865	1.5
121.10642	0.8
123.07809	0.9
127.03584	2.6
127.04602	1.1
129.06746	1.2
131.08263	1.7
133.09785	2.4
135.07858	0.7
135.11435	1.2
135.12291	0.7
136.68481	0.6
145.09825	1.2
147.11322	2.7
149.13026	1.2
159.11403	1.2
161.12967	0.9
171.11449	1.0
178.94583	0.7
184.06924	2.1
185.03961	1.6
195.13434	1.7
228.41228	0.7
235.12683	2.4
243.08389	4.2
247.12650	1.9
269.16995	1.9
294.33966	0.7
301.08289	1.0
301.42688	0.6
303.15250	0.9
328.23352	0.7
371.15808	0.9
453.20898	19.0
454.21326	1.2
465.20923	13.9
469.19815	1.5
484.22250	1.0
485.19910	1.4
515.29712	1.4
519.29169	2.8
533.26959	1.8
551.27771	2.9
647.33838	2.4
648.34955	0.7
651.33655	1.1
665.34668	3.5
676.34570	0.9
677.34991	100.0
678.35229	7.9
691.69220	0.7
717.39746	4.3
745.41064	10.0
746.41260	1.8
763.42072	65.1
764.42395	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	763.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.7
55.05511	2.5
56.05016	0.6
57.03431	2.4
59.04987	0.6
60.08158	4.4
61.02641	0.6
61.02917	6.9
63.82803	0.5
67.05501	6.4
68.13741	0.5
69.03428	4.5
69.07066	2.4
71.01331	0.8
71.04962	0.5
71.07365	2.5
73.02911	4.8
79.05486	4.9
81.03412	3.0
81.07053	6.2
83.04952	0.8
83.08583	0.8
85.02477	0.6
85.02903	6.5
86.09697	22.1
87.09998	2.0
88.81586	0.5
91.03947	4.4
91.05486	2.8
93.07043	6.5
95.04921	1.7
95.08604	4.1
96.87851	0.5
97.02894	7.0
97.06472	0.8
98.98458	3.2
99.04424	1.4
101.02368	2.8
103.03909	0.7
104.10712	1.2
105.06991	1.8
107.04931	0.7
107.08590	2.6
109.02824	0.6
109.10121	1.7
115.03890	0.5
117.07024	1.0
119.08543	1.6
121.10103	2.3
123.11703	0.8
124.99990	16.3
127.03891	1.9
131.08540	1.4
133.10107	1.4
135.11655	1.6
145.10103	1.6
147.07959	0.7
147.11693	0.7
149.13341	0.7
163.11177	1.9
184.07326	73.9
185.04224	0.6
185.07701	8.7
195.15865	0.6
209.11859	0.5
220.95656	0.5
243.08385	2.3
267.11990	2.5
335.25693	0.6
379.10818	0.5
441.17517	2.5
467.19064	1.9
485.19806	3.6
492.02142	0.5
519.29303	7.9
712.45508	0.7
713.45776	3.5
717.41608	1.3
719.39752	1.4
745.41534	10.3
763.42224	100.0
764.42627	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	763.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
53.58662	0.5
55.05505	1.7
57.03429	1.9
60.11877	0.5
61.02920	5.1
65.03947	0.5
67.05513	3.2
69.03423	2.9
69.07068	1.2
71.01381	0.5
71.04990	0.7
73.02907	3.9
79.05488	4.3
79.81754	0.5
81.03408	2.3
81.07042	3.7
81.83866	0.5
83.08625	1.4
85.02901	6.4
91.03954	3.1
91.05475	4.5
93.07030	4.9
95.04980	1.5
95.08610	2.3
97.02891	5.2
99.04481	0.6
101.02390	1.6
105.07017	3.5
107.04957	0.5
107.08594	2.5
109.10155	0.7
111.08099	0.5
117.07030	1.1
119.08546	2.3
121.10159	1.4
127.03933	2.1
131.08600	1.8
133.10100	2.3
135.11717	0.6
138.46452	0.5
145.10136	0.7
147.11703	1.7
149.13287	0.9
157.10172	1.2
159.11707	1.0
163.15030	0.5
184.07416	2.0
185.04224	1.4
193.12259	0.7
228.85303	0.5
243.08345	3.9
251.12628	1.5
259.20499	0.6
275.86795	0.5
301.08917	1.6
315.10522	0.8
325.62567	0.5
372.93561	0.5
465.21060	1.2
469.20361	6.3
535.28784	8.0
541.22424	1.8
763.42273	100.0
764.42548	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	763.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
57.03444	4.9
60.52629	2.3
61.02927	7.8
65.83736	2.3
67.05499	10.3
68.83970	2.4
69.07063	3.2
70.29488	2.2
73.02894	5.1
79.05506	5.2
81.03417	6.9
81.07050	7.1
85.02888	4.0
91.03961	5.4
93.07038	2.5
95.08611	7.9
97.02889	5.7
98.22818	2.7
105.03363	2.7
106.57323	2.4
107.08598	2.9
113.62733	2.3
119.08596	3.4
149.06024	3.3
185.04227	6.2
197.20628	2.7
201.03824	2.8
230.20053	2.3
243.08495	2.5
267.15906	4.8
268.16153	4.1
301.09061	10.9
315.10443	5.3
321.61093	2.5
337.27170	2.9
373.11130	7.3
385.18521	6.9
469.20502	3.2
519.29346	13.5
530.39258	5.0
548.41132	3.0
578.30817	8.3
591.31598	6.1
660.18610	2.8
661.38562	5.7
662.40131	7.1
745.41077	7.2
763.41858	100.0
764.41815	9.8
775.45557	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01863	0.4
55.05509	1.4
57.03427	2.1
61.02923	6.8
67.05496	5.9
69.03426	3.2
69.07069	1.0
69.36032	1.8
71.04990	2.3
73.02910	4.2
79.05482	3.4
81.03419	1.7
81.07047	6.4
83.04982	0.4
83.08616	0.8
85.02894	5.4
85.06555	0.4
87.04432	0.5
91.03943	3.3
91.05461	2.6
93.07024	3.3
95.04963	0.7
95.08595	2.7
97.02880	4.4
97.06522	0.3
98.22865	1.1
99.04458	0.7
101.02357	2.4
103.03924	0.4
105.07024	1.3
107.08585	2.6
109.02881	0.6
109.10143	1.0
115.03929	0.4
119.08601	0.6
121.10150	1.7
123.11739	0.6
125.64720	0.3
127.03931	1.4
131.08556	0.8
133.10124	0.9
135.11703	0.7
144.31874	0.3
145.04988	0.4
149.13235	0.7
151.11188	0.7
185.04248	0.7
197.03404	0.3
203.05185	0.5
243.08441	1.3
267.15826	1.3
335.25687	0.5
485.23685	3.4
519.29199	7.9
763.45935	100.0
764.46326	10.5
788.93768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82404	1.1
55.01867	2.2
60.89542	1.1
63.36195	1.1
65.03926	2.9
67.05496	1.8
69.03420	2.5
69.40934	5.9
69.82548	1.1
71.04955	1.4
73.72803	1.2
79.05470	1.8
81.03417	3.7
85.02408	1.0
85.02901	4.4
91.05463	6.5
94.04182	2.7
95.04961	4.1
97.02854	1.7
103.05456	32.5
105.07013	3.0
107.04945	3.1
108.02110	1.3
109.06503	1.7
111.04414	1.4
113.05994	2.5
115.05438	3.2
117.07034	3.9
118.04124	2.5
119.04930	6.6
121.06496	1.5
122.03617	7.4
123.04454	1.4
125.06001	2.1
127.03902	1.5
128.36810	1.2
129.06992	2.7
130.04152	1.8
131.04916	58.0
133.02821	4.0
133.06456	3.4
135.08034	2.5
137.05965	100.0
138.06305	1.6
143.04895	3.2
145.06453	6.3
146.03581	1.5
147.04398	7.4
147.08112	1.6
148.05183	10.0
149.05965	2.8
151.03897	78.8
151.04988	5.7
151.07542	6.3
152.04268	1.9
153.05446	4.7
157.06488	2.0
160.05193	2.0
161.05948	6.3
163.07529	58.4
165.05447	4.8
167.07030	12.4
171.04456	1.3
173.05962	4.4
174.06784	1.1
175.07498	8.7
176.04626	2.8
177.05431	4.1
179.07022	8.6
181.04944	21.6
181.06430	2.2
181.08427	1.2
187.07545	4.8
189.05428	1.4
189.09094	3.4
190.06107	1.4
190.12534	1.4
191.07013	97.7
192.07338	2.3
193.08577	1.4
200.68875	1.4
203.06943	6.5
205.08582	10.4
209.08076	3.4
215.06859	1.6
217.08635	2.8
219.10150	1.7
231.06290	1.7
231.08415	1.3
233.08075	4.1
235.07556	1.6
235.09616	6.0
239.06747	1.2
249.09164	1.5
260.57599	1.1
263.06714	2.0
263.09149	20.9
265.10742	3.1
267.10233	1.5
281.11520	1.3
283.09747	1.3
293.07892	1.4
299.12503	2.0
307.09555	1.9
325.10483	1.8
327.12262	2.2
329.13806	2.7
337.10507	2.7
351.65100	1.3
353.13727	1.6
355.11633	7.3
357.13013	2.3
359.14584	2.2
369.13321	6.2
387.14337	47.4
388.14719	2.1
517.18329	5.1
549.20850	2.9
670.80627	1.2
756.43457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
65.03923	2.1
67.05482	2.5
68.54237	1.1
69.03429	2.5
69.07059	1.3
69.32904	6.5
70.06585	2.6
73.85686	1.2
79.05477	3.4
80.41178	1.1
81.03416	2.9
84.28391	1.0
84.40881	1.1
85.02898	3.8
89.62911	1.1
91.05488	3.5
93.03403	1.6
95.04952	4.6
97.02879	2.5
103.05450	15.6
105.07016	2.3
107.04948	5.0
109.02832	1.2
109.06534	1.9
110.03619	2.3
111.04417	3.6
115.05440	3.6
117.06975	3.3
118.04137	3.4
119.04927	7.3
119.08606	1.1
121.06496	2.4
122.03655	3.5
123.04447	1.9
125.05986	3.7
127.03982	1.5
129.06958	2.3
131.04912	27.7
133.02850	4.1
133.06473	2.8
135.08080	2.5
137.05959	65.5
138.06262	1.5
143.04906	1.6
145.06474	4.3
146.03572	1.7
147.04382	7.7
147.08051	1.6
148.05185	6.9
149.05997	3.4
151.03894	81.2
151.04967	5.3
151.07529	3.2
152.04280	1.2
153.01820	4.7
153.05476	7.3
157.06432	1.7
159.08008	2.0
160.05176	3.2
161.06018	5.6
163.03966	1.6
163.07524	21.3
165.05501	3.8
167.07022	16.4
167.08363	1.9
173.05956	2.8
174.06712	1.7
175.07515	12.4
176.04675	1.5
177.05412	2.9
179.07016	8.1
181.04945	18.7
187.07544	4.5
189.05399	1.8
189.09070	2.7
191.07008	100.0
193.04819	1.3
193.08568	4.6
203.06982	5.6
205.08551	5.0
207.08049	1.4
209.08092	4.6
217.06445	1.6
217.08626	3.0
219.08002	2.4
219.10048	2.6
221.07860	1.4
221.09738	1.5
223.07509	1.6
231.08032	1.4
233.08064	4.8
234.06705	1.3
235.07521	2.7
235.09610	4.1
237.09039	3.0
247.07396	2.2
247.09676	1.5
248.08278	1.7
248.15417	1.2
249.09099	1.9
250.63127	1.3
253.08661	1.9
263.09088	22.0
264.07657	1.7
265.08496	3.7
267.10211	2.1
277.08521	3.6
281.07993	1.9
283.09674	1.4
291.10022	1.8
294.08865	1.4
295.09570	3.1
297.11255	1.4
307.09448	2.0
309.11185	3.1
311.12854	5.7
319.09543	3.5
321.11362	1.3
323.08765	1.4
325.10681	4.8
327.12234	4.9
329.13647	2.6
337.10703	12.8
339.12210	9.1
341.13736	3.1
351.12158	7.0
353.13803	4.2
355.11679	11.1
355.15564	2.1
357.13165	6.6
359.14670	1.4
365.13730	1.2
369.13354	26.6
387.14343	48.9
388.14578	2.5
506.87711	1.2
517.18469	2.3
549.20612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
65.03923	2.1
67.05482	2.5
68.54237	1.1
69.03429	2.5
69.07059	1.3
69.32904	6.5
70.06585	2.6
73.85686	1.2
79.05477	3.4
80.41178	1.1
81.03416	2.9
84.28391	1.0
84.40881	1.1
85.02898	3.8
89.62911	1.1
91.05488	3.5
93.03403	1.6
95.04952	4.6
97.02879	2.5
103.05450	15.6
105.07016	2.3
107.04948	5.0
109.02832	1.2
109.06534	1.9
110.03619	2.3
111.04417	3.6
115.05440	3.6
117.06975	3.3
118.04137	3.4
119.04927	7.3
119.08606	1.1
121.06496	2.4
122.03655	3.5
123.04447	1.9
125.05986	3.7
127.03982	1.5
129.06958	2.3
131.04912	27.7
133.02850	4.1
133.06473	2.8
135.08080	2.5
137.05959	65.5
138.06262	1.5
143.04906	1.6
145.06474	4.3
146.03572	1.7
147.04382	7.7
147.08051	1.6
148.05185	6.9
149.05997	3.4
151.03894	81.2
151.04967	5.3
151.07529	3.2
152.04280	1.2
153.01820	4.7
153.05476	7.3
157.06432	1.7
159.08008	2.0
160.05176	3.2
161.06018	5.6
163.03966	1.6
163.07524	21.3
165.05501	3.8
167.07022	16.4
167.08363	1.9
173.05956	2.8
174.06712	1.7
175.07515	12.4
176.04675	1.5
177.05412	2.9
179.07016	8.1
181.04945	18.7
187.07544	4.5
189.05399	1.8
189.09070	2.7
191.07008	100.0
193.04819	1.3
193.08568	4.6
203.06982	5.6
205.08551	5.0
207.08049	1.4
209.08092	4.6
217.06445	1.6
217.08626	3.0
219.08002	2.4
219.10048	2.6
221.07860	1.4
221.09738	1.5
223.07509	1.6
231.08032	1.4
233.08064	4.8
234.06705	1.3
235.07521	2.7
235.09610	4.1
237.09039	3.0
247.07396	2.2
247.09676	1.5
248.08278	1.7
248.15417	1.2
249.09099	1.9
250.63127	1.3
253.08661	1.9
263.09088	22.0
264.07657	1.7
265.08496	3.7
267.10211	2.1
277.08521	3.6
281.07993	1.9
283.09674	1.4
291.10022	1.8
294.08865	1.4
295.09570	3.1
297.11255	1.4
307.09448	2.0
309.11185	3.1
311.12854	5.7
319.09543	3.5
321.11362	1.3
323.08765	1.4
325.10681	4.8
327.12234	4.9
329.13647	2.6
337.10703	12.8
339.12210	9.1
341.13736	3.1
351.12158	7.0
353.13803	4.2
355.11679	11.1
355.15564	2.1
357.13165	6.6
359.14670	1.4
365.13730	1.2
369.13354	26.6
387.14343	48.9
388.14578	2.5
506.87711	1.2
517.18469	2.3
549.20612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.7
55.05505	5.2
55.55284	0.6
57.03427	3.9
57.07066	1.6
60.08151	4.7
67.05500	6.8
69.07063	6.0
69.08745	5.4
71.07360	2.7
71.08630	1.2
73.02905	0.8
79.05492	5.7
81.03409	15.4
81.07056	8.6
83.04980	1.0
83.08605	7.8
85.10165	1.6
86.09189	1.4
86.09701	24.9
91.05469	3.2
93.07034	4.2
95.04962	5.2
95.08608	5.0
97.02905	1.2
97.10161	2.8
98.23512	1.8
98.98447	2.9
104.10721	2.2
105.07008	2.3
107.04948	1.3
107.08607	1.9
109.06468	1.1
109.10146	2.1
111.08088	1.4
119.08581	1.8
121.10134	3.4
123.11674	1.3
125.00001	17.7
129.06999	1.4
131.08559	2.5
133.10138	1.1
135.11691	1.4
147.07967	0.8
147.11685	2.6
149.09595	1.4
157.10092	1.6
163.11073	0.9
163.75545	0.7
179.76300	0.7
184.07333	100.0
191.45871	0.7
193.12268	6.3
220.32198	0.7
267.15900	26.2
311.25681	6.6
339.28879	15.5
340.29208	1.3
412.43079	0.7
503.37109	6.2
505.38705	0.8
531.40356	13.4
549.41064	1.7
639.25433	0.9
714.46783	5.3
764.42395	2.3
765.42474	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	764.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05509	20.9
55.39299	1.4
57.03437	12.6
57.07081	9.9
60.08151	6.3
67.05497	24.5
69.03414	3.2
69.07065	24.2
69.19931	11.0
71.07369	3.8
71.08610	4.1
79.05485	17.9
81.03409	59.3
81.06332	1.7
81.07051	28.4
82.16504	1.6
83.04953	4.3
83.08611	26.4
85.06541	2.6
85.10139	1.6
85.29842	1.9
86.09695	29.2
91.05484	16.9
92.60132	1.6
93.07044	17.5
95.04955	19.8
95.08596	21.2
97.02885	3.5
97.06526	2.2
97.09240	1.6
97.10173	8.3
98.98454	2.5
102.29185	1.6
105.07020	10.7
107.04942	5.6
107.08569	7.9
109.06583	2.1
109.10145	7.5
111.04394	3.1
111.08083	3.2
111.11706	3.9
117.07031	2.2
119.08578	7.3
121.10136	11.5
123.11676	3.3
124.99985	20.2
125.09610	2.4
128.71614	1.9
129.06989	6.5
131.08546	5.9
133.06445	2.7
133.10127	4.8
135.11678	4.7
142.07790	3.0
143.72153	1.6
145.10031	2.3
147.08012	2.5
147.11638	7.6
149.09612	4.8
149.13245	1.7
157.10089	8.1
175.11203	5.5
178.84065	2.0
184.07321	100.0
185.07648	1.7
187.24208	1.9
189.12646	2.1
193.12204	20.5
211.01929	1.9
265.25183	2.1
267.15891	86.3
268.16428	2.4
309.17285	1.9
311.25983	2.2
339.28888	74.4
340.29111	3.6
473.28992	5.0
531.40411	66.7
532.40955	5.7
545.78052	2.1
549.41504	17.4
554.24200	1.9
714.46588	7.5
764.46112	11.7
765.42242	11.6
787.04095	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34340	0.9
55.01868	1.3
55.05506	3.2
57.03441	3.1
57.07071	1.1
58.75414	0.9
61.02913	6.0
66.99174	0.8
67.05510	7.4
69.03428	5.1
69.07064	1.7
71.04980	1.6
72.00282	0.9
73.02930	3.7
73.17825	0.9
75.83363	1.0
77.42307	1.0
79.05497	5.6
81.03419	3.0
81.07066	5.7
83.04996	1.5
83.08620	2.7
86.01614	0.8
91.03961	4.0
91.05481	4.5
93.07034	6.3
95.04964	2.1
95.08617	2.3
97.02882	6.1
97.06523	1.8
97.10201	1.4
99.04411	1.1
99.57658	0.8
101.02375	2.5
105.07049	2.2
107.08601	2.7
109.02875	1.3
109.10172	3.1
111.81146	0.8
117.05460	0.9
118.97724	0.9
119.08624	1.9
121.10120	2.1
127.03939	2.9
129.05498	1.8
129.07040	1.2
133.10150	1.9
135.11729	3.6
145.04970	1.1
145.10059	1.2
149.13240	1.1
151.11121	1.1
151.91156	0.9
156.03954	1.2
156.94221	1.0
165.36826	1.1
165.75244	0.9
184.07339	2.0
185.04294	3.1
192.06351	0.9
201.03711	1.5
221.11514	3.4
223.13219	1.0
229.14230	1.1
243.08461	5.3
247.12996	1.0
261.14862	1.5
291.15833	1.1
301.08990	10.7
315.10596	3.2
319.15329	4.1
331.04248	0.9
337.16269	1.7
357.15207	1.6
365.15826	2.8
369.15228	2.4
373.11026	8.1
373.37875	1.0
385.18271	5.9
387.12610	1.1
403.24588	2.7
413.17752	2.4
415.16006	1.2
427.19495	2.5
429.17490	8.0
439.19257	16.2
439.24506	1.2
455.18939	3.9
457.20547	2.9
469.20648	2.2
470.21463	2.5
471.15341	1.2
471.21854	1.9
481.20377	3.7
498.20569	2.1
511.21356	8.2
513.26764	2.9
535.28406	2.2
567.27924	1.7
581.29675	2.3
582.30042	2.1
611.30774	4.9
679.32874	38.4
680.32959	2.4
747.38977	3.5
764.42041	3.4
765.41248	100.0
766.41730	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	765.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22071	0.4
55.01862	0.6
55.05499	1.1
57.03431	2.0
61.02924	4.4
67.05495	4.4
69.03422	3.1
69.07064	2.3
69.13340	2.7
71.04984	1.2
73.02905	2.5
79.05489	3.6
81.03027	0.5
81.03390	2.7
81.07053	4.6
83.04960	1.0
83.08617	0.9
86.09694	0.7
91.03961	2.0
91.05470	3.8
93.07036	3.5
95.04972	0.9
95.08601	1.7
97.02867	3.4
97.06523	1.0
98.22617	0.8
99.04444	0.7
101.02399	1.2
105.07029	2.7
107.08579	2.9
109.02839	0.6
109.06550	0.9
109.10155	2.9
116.66595	0.5
117.07051	0.9
119.08585	1.1
120.84001	0.5
121.10179	0.8
127.03917	1.0
131.08601	0.9
133.10132	4.4
135.11661	0.9
145.10120	0.9
151.11214	2.1
161.82877	0.5
184.07436	2.1
185.04251	1.1
203.05235	0.8
206.04910	0.5
237.11035	2.1
243.08476	2.0
259.07797	0.6
293.13663	1.0
302.56772	0.6
333.20270	1.4
405.67978	0.5
439.19604	0.7
455.18832	8.8
467.61490	0.7
551.28387	4.7
603.35364	0.7
693.93665	0.6
765.40106	100.0
766.40491	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	765.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05515	1.4
57.03440	1.3
61.02919	4.7
67.05505	5.9
69.03430	3.3
69.07078	1.0
69.20701	2.2
71.01365	0.6
71.05001	2.8
73.02908	3.9
73.03226	0.4
76.79584	0.3
79.05477	4.8
81.03419	2.0
81.07056	4.8
82.23304	0.4
83.04978	0.6
83.08625	0.7
86.22155	0.4
87.04482	0.5
91.03952	2.4
91.05465	3.5
93.07035	4.9
95.04983	1.4
95.08585	2.3
97.02884	3.7
97.06551	0.9
101.02342	1.8
103.03971	0.4
105.07021	2.7
107.08584	2.9
109.02893	0.4
109.10124	2.8
115.03895	0.6
117.07033	0.9
119.08570	2.9
121.10196	1.5
123.11710	0.5
127.03942	1.4
129.06970	0.5
131.08595	1.0
133.10175	1.7
135.11719	1.9
135.87299	0.4
137.09665	1.1
143.08533	0.6
145.04948	0.4
145.10117	0.6
147.11699	1.1
149.13284	0.5
159.11740	0.8
161.13277	0.9
184.07492	0.4
185.04256	0.9
243.08377	2.9
253.14293	1.4
259.20703	0.5
301.09116	1.2
317.21252	0.5
373.11490	0.4
439.18854	0.4
453.21091	1.3
465.21210	0.7
469.20444	0.9
471.22058	6.3
535.28766	5.9
536.29529	0.6
543.24182	1.1
553.29828	0.8
653.34613	0.4
679.33002	1.1
719.39648	0.8
765.43799	100.0
766.44250	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	766.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64361	1.0
69.46406	2.9
69.46814	3.1
85.02924	2.0
89.41625	1.1
91.05475	2.8
103.05447	1.1
105.07049	1.9
108.62666	1.1
117.06931	1.6
117.31463	1.3
119.04916	1.2
131.04878	1.4
133.02811	1.8
133.06419	1.4
135.08102	1.2
137.05971	4.0
137.99525	1.0
138.11118	1.0
147.04407	1.5
149.05840	1.1
151.07542	5.5
153.01746	1.4
153.93240	1.1
159.07993	1.4
161.05972	2.6
163.07555	1.1
167.06992	7.6
175.07512	1.4
177.09076	16.8
179.83461	1.1
181.04915	3.5
181.08536	1.2
189.09157	1.9
193.08592	12.0
194.07100	1.4
195.10168	1.2
207.08041	1.5
221.11729	4.7
223.07553	1.5
225.08771	1.1
234.06824	1.3
235.07405	1.6
236.08452	1.2
237.09187	1.5
249.09088	8.4
250.09790	1.7
251.06984	2.1
252.07794	4.3
253.08498	1.9
255.10098	1.3
261.08975	1.3
264.07593	2.0
265.08560	10.2
266.09460	5.0
267.10168	2.4
269.11987	1.2
277.08539	3.2
278.09366	1.3
280.07187	4.8
281.08243	2.4
283.09650	1.9
284.16315	1.2
285.11069	1.5
293.08438	1.5
293.11551	6.4
294.08871	1.2
295.09644	2.4
296.10364	6.3
300.09885	2.6
309.11111	2.6
310.12024	1.3
311.12769	6.2
313.10562	8.4
313.14301	5.3
321.11221	5.3
324.09900	2.1
325.10696	1.4
325.14426	1.8
326.11075	1.1
327.12421	1.8
331.15485	1.6
339.12238	51.3
340.12714	4.8
341.13876	3.9
343.15262	2.9
359.14835	18.4
360.15024	1.9
361.16312	1.3
371.14850	100.0
372.15097	4.8
595.64502	1.2
775.39722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.3
66.70047	0.8
80.68309	1.0
85.02891	2.6
90.39216	1.0
91.05493	2.6
96.68879	1.0
100.11259	1.4
103.05486	1.5
105.07014	2.0
107.04977	1.8
111.17248	1.1
115.05450	1.1
117.07015	1.2
119.04939	2.8
121.02891	1.3
121.06486	1.7
125.06015	1.7
127.03863	1.0
131.04901	2.6
133.02812	3.3
133.06485	3.2
137.05934	6.5
144.05733	1.2
145.06458	1.2
147.04402	1.9
149.05966	1.7
151.03885	1.6
151.07550	3.6
153.01784	5.0
153.05507	2.1
159.07990	1.6
161.05986	4.3
161.09576	1.2
163.07555	2.2
165.51143	1.0
167.06995	9.8
169.06392	1.2
175.07558	3.9
177.05417	1.2
177.09079	20.8
179.07037	1.1
181.04974	2.8
189.09117	1.6
191.07014	3.1
193.08594	13.7
193.10201	1.7
194.07201	1.6
207.07959	1.5
210.14906	1.2
211.09624	1.0
219.08124	1.1
220.08691	1.0
221.06050	1.6
221.09560	2.2
221.11731	4.0
222.06734	2.2
223.07520	1.6
224.08339	2.3
225.09064	1.3
227.05421	5.2
234.06790	1.2
235.07617	1.4
236.08307	1.4
237.09081	1.7
238.09735	1.5
239.07019	1.1
239.33711	0.9
249.08995	8.6
250.06306	1.6
250.09943	2.0
251.07024	2.4
252.07828	7.5
253.08606	3.2
253.12093	0.9
261.09055	1.2
263.07059	2.0
264.07849	2.3
265.08572	10.9
266.09326	7.4
267.10141	2.6
277.08646	4.0
278.09442	1.3
280.07220	6.4
281.08020	4.4
281.11499	1.3
283.09668	1.7
285.11328	1.4
293.08237	2.2
293.11694	7.3
295.09641	3.9
296.10471	5.7
298.08392	1.3
300.09918	2.2
309.11240	2.8
310.11981	1.7
311.12701	9.1
313.10669	10.0
313.14322	5.0
321.11276	5.5
325.10590	1.3
326.11597	1.0
327.12216	3.0
331.15323	2.6
339.12244	58.9
340.12817	5.4
341.13864	5.3
343.15561	2.9
353.13809	1.2
359.14822	21.4
361.16287	1.3
371.14847	100.0
372.15222	5.5
373.16345	1.3
387.14560	1.0
645.06580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.5
55.05505	39.2
57.03435	4.8
59.04988	2.4
60.74118	0.7
61.02914	1.3
65.03912	0.9
67.05499	23.4
69.03417	5.7
69.07062	6.8
70.54063	1.3
71.01363	0.9
71.04988	2.0
71.07803	0.8
79.05040	1.7
79.05485	25.3
81.03395	5.2
81.07050	18.6
83.01322	3.0
83.04978	7.9
83.08614	23.1
85.02900	1.8
85.06562	1.3
87.04459	1.2
91.05467	23.0
93.07038	18.8
95.04964	5.0
95.08605	6.7
95.48053	0.7
97.02894	1.8
97.06519	3.5
97.10162	45.1
99.04446	0.9
103.05444	1.3
105.04504	1.1
105.07031	6.7
107.04951	4.5
107.08583	23.2
109.06495	4.4
109.10147	7.4
111.04482	1.2
111.08067	3.4
115.05444	3.3
117.07007	17.2
119.08570	31.1
121.06493	3.2
121.10149	4.3
123.08057	4.2
125.09622	39.7
128.06223	2.2
129.06993	2.6
131.08556	5.5
133.06500	1.4
133.10136	1.5
135.08034	7.7
135.11703	3.8
143.08589	4.4
143.10674	2.2
145.06462	11.9
145.10085	7.6
147.08037	3.9
153.09070	2.7
153.12698	1.4
155.08502	2.8
157.10100	2.5
159.08047	7.6
161.09586	2.0
163.07466	2.0
163.11172	10.4
169.10121	0.9
171.10141	3.1
171.11555	1.2
173.09653	3.1
175.11317	0.8
181.12231	1.7
184.07281	1.0
185.09615	1.0
189.09454	1.9
189.11192	29.0
209.11745	3.2
225.16362	1.1
227.12753	100.0
228.13127	1.8
243.17546	1.8
253.15849	2.4
271.16904	32.3
272.17233	1.1
283.15366	25.9
289.17938	8.6
309.18475	1.0
327.19525	1.2
345.20700	6.0
363.21655	12.7
453.24768	38.8
454.25201	2.0
489.32452	1.2
528.77307	0.8
553.31531	14.8
571.32629	44.2
572.32892	3.0
664.33228	1.7
768.39636	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	768.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	13.9
55.05502	26.3
55.86991	2.0
56.51585	2.0
57.03424	8.1
59.16646	2.0
60.04108	1.9
65.03938	6.5
67.05497	91.0
68.03411	2.1
69.03407	4.9
69.07066	21.2
69.14124	11.8
71.04980	5.2
73.06559	3.0
77.03905	3.4
79.05484	99.8
81.03411	16.6
81.07048	84.8
81.20626	2.0
83.04977	18.3
83.08613	9.1
85.02908	2.9
85.06533	7.0
91.05470	100.0
93.07032	91.2
95.04963	34.7
95.05544	3.7
95.08594	39.3
97.02898	3.4
97.06518	10.4
97.10152	4.7
103.05453	2.7
105.04514	5.3
105.07014	79.6
107.04952	15.0
107.07848	2.4
107.08575	46.6
109.05825	1.9
109.06481	11.3
109.10141	49.2
111.08046	4.8
117.07001	17.9
119.08562	32.1
121.06509	15.7
121.10141	8.0
123.08062	7.5
123.11681	7.4
128.06215	5.6
129.07001	17.5
131.08553	18.5
133.06488	5.9
133.10114	64.7
135.08054	7.8
135.11644	4.8
137.09653	3.6
139.07503	2.6
143.08533	18.0
145.06499	2.3
145.10124	11.8
147.08025	4.9
147.11664	35.0
149.09624	8.0
151.11177	26.6
157.10114	4.8
159.11691	6.6
160.31128	2.0
161.09579	14.3
161.13225	10.4
163.11176	4.2
169.12221	4.6
171.11656	26.1
173.13303	2.5
175.11153	6.1
176.15115	1.8
177.09146	3.4
184.07336	2.0
185.13263	2.7
189.12717	11.1
193.12140	2.8
199.11284	2.1
207.13800	27.3
215.12822	2.2
237.16397	2.4
245.19012	7.6
251.12820	5.7
253.14316	90.0
254.14688	2.5
255.17419	3.5
263.20074	3.6
273.18457	35.9
281.17419	53.5
291.19537	39.0
309.20474	2.6
347.22192	16.0
365.23111	27.5
368.97388	2.2
477.28415	23.6
491.29944	3.2
543.36554	2.2
553.34985	17.9
571.36206	83.7
572.36365	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	768.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
55.05256	1.3
55.05508	21.1
57.03428	3.8
59.04989	0.7
65.03922	2.6
67.05499	35.4
69.03422	6.5
69.06708	1.5
69.07064	20.8
71.04987	2.0
73.06550	0.9
77.03912	1.5
79.05486	44.5
81.03415	7.9
81.07053	29.0
83.04974	9.1
83.08617	8.8
85.02917	0.8
85.06519	1.5
91.05470	34.2
93.07035	34.6
95.04958	16.9
95.08601	15.4
97.02898	6.3
97.06502	4.0
97.10154	10.1
103.69334	0.8
105.04531	1.8
105.07016	25.1
107.04944	6.3
107.08592	13.4
107.09262	1.3
108.05775	0.7
109.06499	4.3
109.10158	6.8
111.08091	1.6
115.05407	1.2
117.06997	8.3
119.04933	1.4
119.08567	17.6
120.93317	0.8
121.06528	3.6
121.10155	4.7
123.08041	5.2
123.51788	0.7
125.09631	5.6
128.06194	2.1
129.07001	10.1
131.08574	6.3
133.06497	3.7
133.10115	7.6
135.08067	3.4
135.11702	2.6
137.09576	1.2
143.08548	6.1
145.10107	7.2
147.08041	5.0
147.11667	16.7
149.09634	1.2
149.13245	1.5
150.12251	0.7
153.09106	0.8
154.09592	0.7
156.09354	0.9
157.10176	2.1
159.11708	3.2
161.09628	2.9
161.13240	5.1
162.10408	1.2
163.11226	2.0
165.09113	0.9
171.10262	0.8
171.11662	13.5
175.11246	2.1
177.12836	0.9
185.09813	0.8
189.11182	3.4
189.12766	4.2
195.13812	1.1
199.14670	1.0
205.12224	0.9
207.13795	14.6
223.13258	11.4
225.14796	1.5
227.12700	4.3
229.61932	0.8
245.18941	1.6
249.14844	2.7
255.17363	1.1
267.15805	1.0
273.18472	11.0
281.17459	46.0
282.17905	1.7
291.19510	75.6
292.19934	2.9
347.22198	2.2
365.23178	31.4
417.34103	0.9
451.26730	1.0
473.28857	2.8
553.35095	4.3
571.36224	100.0
572.36536	7.6
589.37012	0.9
604.34186	0.9
748.12433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72585	1.3
70.72015	2.9
77.66467	1.4
89.74944	1.4
96.99143	1.4
109.06058	1.3
114.13615	1.7
252.22542	1.4
278.83215	1.5
336.52844	1.6
336.62845	1.7
365.77301	1.5
375.29080	1.7
452.63126	1.5
769.22400	100.0
770.22815	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	769.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42371	1.3
75.53400	0.8
78.79697	0.8
80.23441	0.8
83.01102	1.7
95.01111	4.1
95.73225	0.8
103.05473	2.1
104.03519	0.8
105.07031	1.3
113.02147	3.6
131.04901	4.1
137.05974	5.3
144.72519	0.9
153.01810	4.1
153.02928	0.9
163.07642	1.8
167.03192	1.9
185.04181	9.6
185.05638	1.4
201.03741	1.6
203.05283	1.8
262.00485	0.8
280.98648	0.8
363.12283	0.9
365.12244	2.5
381.11554	3.1
395.11087	2.9
410.13464	6.9
458.33975	1.0
769.26660	100.0
770.26953	9.4
790.50134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42371	1.3
75.53400	0.8
78.79697	0.8
80.23441	0.8
83.01102	1.7
95.01111	4.1
95.73225	0.8
103.05473	2.1
104.03519	0.8
105.07031	1.3
113.02147	3.6
131.04901	4.1
137.05974	5.3
144.72519	0.9
153.01810	4.1
153.02928	0.9
163.07642	1.8
167.03192	1.9
185.04181	9.6
185.05638	1.4
201.03741	1.6
203.05283	1.8
262.00485	0.8
280.98648	0.8
363.12283	0.9
365.12244	2.5
381.11554	3.1
395.11087	2.9
410.13464	6.9
458.33975	1.0
769.26660	100.0
770.26953	9.4
790.50134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
59.98030	2.0
60.69658	2.4
62.14901	2.3
71.42555	2.7
79.05496	5.3
91.05475	23.9
94.04176	6.2
95.04963	9.3
100.38519	2.6
103.05463	6.8
105.07018	9.2
107.04958	12.3
115.05464	5.8
117.07069	3.4
119.04942	13.7
121.06488	16.8
122.03648	7.4
129.07024	7.3
131.04901	11.0
133.02852	10.3
133.06477	3.1
135.04420	5.7
135.08087	2.9
136.05185	2.8
137.05968	100.0
143.05125	2.7
144.05716	2.9
145.06444	6.1
146.07281	4.3
147.04396	12.6
147.08052	4.5
149.05986	16.4
151.03894	6.9
151.07520	30.3
152.06264	2.5
153.01807	12.1
153.05493	2.6
154.02209	4.5
157.06505	3.1
159.08060	4.8
161.05960	73.0
161.09648	10.3
162.06702	4.7
163.07530	18.6
165.05595	3.3
165.06984	4.9
167.07077	4.0
167.08626	3.3
174.06816	3.9
175.07559	25.9
179.07033	6.2
181.06525	6.1
187.07559	9.6
189.09113	22.7
190.07782	3.4
191.07018	5.4
191.08600	3.2
193.06569	5.3
193.08467	3.5
194.07277	4.9
195.08035	9.3
195.10059	3.3
199.07533	4.6
201.09085	3.8
205.06435	3.4
206.07422	3.5
207.08240	5.3
207.10202	21.7
208.08693	2.6
209.05946	2.8
209.09752	2.7
210.06644	4.7
211.07532	7.1
212.08366	2.6
213.09146	4.5
218.07182	3.6
219.08072	14.8
219.10199	15.2
220.08615	2.9
221.05945	7.5
221.09637	3.7
222.06673	3.3
223.07524	5.5
223.10983	3.5
224.08253	6.1
225.09143	11.2
227.07028	3.9
227.10674	3.9
233.09653	3.6
234.06882	3.4
235.07538	5.0
236.08282	5.3
237.09120	11.7
238.06340	2.9
239.07045	5.3
240.07811	4.9
243.10115	4.2
247.07585	7.6
248.08322	4.3
249.09204	4.7
251.06999	6.9
251.10701	4.4
253.08592	19.5
253.12251	6.6
255.06503	4.5
255.10187	8.5
261.09045	5.4
264.07758	4.9
265.08502	16.2
267.10156	7.8
268.07175	4.8
269.08032	4.3
269.11826	2.9
270.08871	7.1
271.09784	2.6
273.11337	3.9
277.08609	10.4
277.11969	3.2
279.07526	2.6
279.10104	13.3
280.10837	2.9
281.08002	6.1
281.11456	3.4
283.09723	15.2
283.12747	3.5
285.11200	9.4
287.12827	2.6
291.10135	3.7
295.09641	5.8
296.10345	5.1
297.11188	24.9
299.12851	3.3
307.09659	6.1
308.10413	2.9
309.11093	15.4
311.12772	12.6
313.14526	2.8
315.12271	7.4
321.11200	6.9
323.12714	7.8
325.10602	3.9
325.14120	2.9
327.12305	15.4
329.13806	47.8
331.15527	6.1
332.51642	2.8
335.12628	6.8
337.14352	7.9
339.12241	8.3
340.13071	4.5
341.13907	16.0
343.15390	5.1
349.14328	4.3
353.13821	2.8
355.15375	29.1
367.15445	13.1
385.16080	3.1
397.16467	8.6
445.16553	3.4
457.16104	4.9
459.18561	3.8
469.14929	3.0
475.17502	3.2
477.18811	7.5
489.19028	5.8
507.20148	14.4
519.19720	2.7
657.26465	3.2
770.26892	4.5
771.26764	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	770.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	27.8
55.05505	55.8
57.03434	27.9
57.07063	3.9
59.04993	9.0
61.02917	4.2
65.03945	6.3
67.05502	97.0
67.05865	5.7
69.03430	26.4
69.07071	17.0
70.54139	4.1
71.01327	3.7
71.04974	13.2
73.02904	13.0
79.05043	4.4
79.05489	69.2
81.03411	100.0
81.07050	54.9
82.04196	7.7
83.01344	4.2
83.04977	36.5
83.08610	33.4
84.05750	3.5
85.02911	19.2
85.06524	4.7
87.04454	5.4
91.04932	4.2
91.05477	51.9
93.07034	45.5
94.07814	3.2
95.04961	47.1
95.08602	23.5
96.05754	2.8
97.02882	24.8
97.06527	16.7
97.10151	43.1
97.10738	3.0
98.03682	14.2
98.07313	7.5
99.04442	8.9
99.08105	4.1
105.04485	3.3
105.07004	24.4
107.04940	32.4
107.08585	35.5
109.02867	11.8
109.06494	13.5
109.10146	50.6
110.07281	9.6
111.04426	14.8
111.08055	8.8
113.05998	6.1
115.03931	2.7
115.05374	2.7
116.04697	8.9
117.06990	14.2
119.08559	29.4
121.06507	8.6
121.10145	14.5
123.04424	8.1
123.08102	12.6
125.09620	35.5
127.03919	10.0
127.11145	2.3
128.06241	2.4
129.05467	29.0
129.06949	12.2
130.07817	3.6
131.08563	20.1
133.10135	15.7
135.04434	3.7
135.08038	10.7
135.11650	16.6
137.09598	11.5
139.07460	2.8
143.07025	8.4
143.08517	2.5
143.10721	3.8
145.06520	3.3
145.10094	19.3
147.08078	6.3
147.11679	13.9
149.09592	6.8
153.01848	3.2
153.09088	8.4
153.12743	8.4
155.08517	2.8
155.10648	5.6
157.08693	14.3
157.10135	12.8
158.05641	2.6
161.09612	5.4
163.11168	25.2
165.12746	3.8
171.06519	4.0
171.10126	5.2
173.04428	20.3
173.09610	4.5
173.11705	19.8
175.11192	7.2
181.12244	7.1
189.11214	11.4
191.10689	8.4
193.12198	11.3
199.05946	7.4
199.13251	20.4
200.14049	2.9
209.11713	18.6
210.12483	5.3
211.13303	8.8
217.14305	4.7
223.13223	5.1
224.14027	6.6
227.12747	25.8
228.13649	3.0
229.14337	25.7
241.14493	4.3
255.15955	3.3
267.15921	22.2
268.16541	3.4
283.15378	32.1
285.17001	3.9
301.16449	37.7
326.24402	2.8
328.97452	2.6
373.18387	3.7
383.24390	2.7
385.23676	5.4
411.20126	3.8
411.27292	2.5
427.19678	3.2
437.25320	7.7
438.26157	2.9
445.20667	5.2
455.26389	17.0
459.27383	19.1
469.27991	3.7
477.28372	12.3
491.29474	4.0
509.27002	5.6
527.28369	8.3
655.33105	4.4
671.32306	3.6
743.99365	2.8
770.39233	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	770.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01645	1.6
55.01870	13.6
55.05506	21.8
57.03437	10.6
57.07064	1.4
59.04990	1.9
61.02908	3.6
65.03928	4.7
67.05497	57.2
69.03423	5.2
69.07058	18.7
71.04987	7.1
73.02902	1.3
74.03263	1.2
79.05483	47.6
81.03410	12.1
81.07048	62.6
83.01337	4.3
83.04968	16.7
83.08601	9.9
85.02898	4.9
85.06536	5.1
91.05468	55.6
93.07037	53.0
93.07551	0.9
95.04957	15.7
95.08597	19.7
97.02892	3.5
97.06499	7.1
97.10161	3.4
98.22676	2.4
99.04445	3.7
103.05481	1.5
105.04508	1.2
105.07016	48.9
106.17847	1.4
107.04934	11.1
107.08579	36.5
109.02837	1.6
109.06503	13.1
109.10139	45.8
111.04470	1.8
111.08055	4.6
113.06020	1.9
115.05402	1.3
117.07001	13.3
119.08568	18.0
121.06482	9.8
121.10132	11.1
123.04382	1.4
123.08062	8.0
123.11681	8.4
125.09605	2.6
127.07539	2.0
128.06209	2.5
129.06978	6.4
130.07765	2.3
130.25786	1.3
131.08568	12.6
133.06473	4.8
133.10117	56.2
134.10506	1.4
135.08078	6.1
135.11656	10.6
137.09613	3.1
142.07816	1.4
143.08563	6.1
145.10097	15.3
147.08073	3.0
147.11658	8.4
149.09586	7.0
149.13245	1.8
151.11157	27.4
153.12752	1.8
155.08533	2.1
157.10216	2.0
159.08052	1.8
159.11653	2.0
161.09610	5.4
161.13208	1.5
163.11160	17.9
169.12218	3.5
171.11667	4.6
173.09566	2.1
175.11150	2.9
177.09050	1.9
179.10649	2.1
181.12210	2.8
187.11090	1.4
189.12776	3.4
191.10699	3.0
207.13770	5.0
209.11635	6.3
215.12770	2.8
227.12698	3.5
228.49835	1.4
245.18968	3.5
251.12766	3.6
253.14313	100.0
254.14745	2.4
263.19995	4.7
269.17419	5.4
273.18488	20.6
275.20236	3.1
281.17441	8.6
283.15359	64.5
291.19495	19.5
293.20862	1.7
301.29803	1.3
309.20413	1.8
347.22131	6.0
349.23788	3.2
365.23145	24.8
445.30914	1.4
461.28860	3.6
475.30576	19.7
477.24582	3.5
479.19775	2.6
479.26367	43.9
480.26093	1.8
555.34186	5.8
573.34058	51.4
574.34436	3.6
767.60577	1.6
771.38196	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	770.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.7
55.05507	32.8
57.03435	4.5
57.60438	0.6
59.04984	1.0
61.02914	1.3
65.03919	1.0
67.05164	1.4
67.05502	19.3
67.05862	1.2
69.03429	4.9
69.07062	7.6
71.04974	1.0
73.02890	0.6
79.05486	23.1
80.05813	0.7
81.03411	18.7
81.07054	18.8
83.04972	6.6
83.08614	20.6
85.02894	4.9
85.06516	0.9
91.05474	23.4
92.05800	1.4
93.07034	11.2
95.04962	8.4
95.08604	4.6
97.02878	2.2
97.06496	1.9
97.10162	35.7
101.09644	0.7
103.05445	1.5
105.04533	1.2
105.07021	9.5
107.04945	3.8
107.08584	13.9
109.06499	2.7
109.10152	4.4
111.04446	1.0
111.08069	3.5
115.05441	2.9
117.07015	14.4
119.08572	29.5
119.11755	0.6
121.06520	2.0
121.10127	2.4
123.08038	1.0
125.09623	33.2
128.06195	1.4
129.06992	5.6
131.08569	6.7
133.06461	1.6
133.10109	4.3
135.08034	7.1
137.09621	1.3
141.07014	1.0
142.07765	1.8
143.08534	4.4
143.10643	1.8
145.06490	13.1
145.10139	3.0
147.08092	3.0
147.11707	4.3
149.09581	2.5
153.09062	2.3
155.08548	2.1
157.10115	6.5
157.30873	0.5
159.08029	4.6
159.11659	0.8
161.09625	1.2
163.07495	1.7
165.12794	0.7
171.10213	2.9
173.09602	1.8
175.11168	5.1
183.11629	1.0
184.88518	0.6
187.11195	0.9
189.11209	21.7
193.10458	1.2
193.12225	14.9
211.13266	28.1
225.16335	1.0
227.12755	100.0
228.13101	2.1
243.17349	1.6
245.13849	2.9
246.31728	0.7
253.15909	1.1
267.15909	5.6
271.16901	30.3
272.17200	0.8
285.16940	9.9
289.17944	7.9
345.20584	5.9
363.21600	8.2
419.24210	3.6
437.25238	6.7
455.26382	9.4
496.57471	0.6
537.32117	5.5
555.33148	11.7
556.33655	0.7
572.25989	0.7
573.34186	17.8
574.34467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85460	0.7
55.01871	13.5
55.05510	35.1
57.03431	13.5
57.07072	1.9
57.07675	0.9
59.04997	3.6
61.02926	3.6
64.86412	0.8
65.03942	3.4
67.05503	43.0
69.03424	10.4
69.07064	28.1
69.07446	1.4
71.04994	5.8
73.02914	1.8
73.31133	0.8
79.05487	44.6
81.03413	24.8
81.03893	1.4
81.07053	39.7
83.01325	7.0
83.04976	13.8
83.08618	19.5
85.02904	5.3
85.06545	2.8
87.04473	1.1
91.05476	37.2
93.07037	41.2
95.01334	1.5
95.04964	18.4
95.05529	1.5
95.08598	19.4
97.02891	12.2
97.06521	9.4
97.10164	12.7
99.04462	1.6
103.05434	1.9
105.04495	2.2
105.07024	32.6
107.04953	15.8
107.08584	25.8
109.02880	1.4
109.06516	9.3
109.10154	14.3
111.04436	3.1
111.08085	3.2
115.05441	2.3
116.06240	1.2
117.07011	15.5
119.04964	1.6
119.08572	21.2
120.08864	0.9
120.65542	0.9
121.06502	7.3
121.10143	12.4
123.04424	1.0
123.08059	8.2
123.11715	2.0
125.05992	1.3
125.09615	9.4
128.06244	1.2
129.06990	7.9
130.07802	1.6
131.08574	17.4
133.06525	4.3
133.10112	16.2
135.08067	5.5
135.08914	0.9
135.11671	9.2
137.09628	3.6
141.06955	1.0
142.07759	1.6
143.08553	6.1
145.06564	1.6
145.10117	19.7
147.08051	8.2
147.11685	7.9
149.06003	1.1
149.09581	4.2
149.13246	1.9
151.11185	2.2
153.12744	2.6
155.08569	1.9
157.10098	6.2
159.08044	2.2
159.11664	4.8
161.09659	4.5
161.13242	3.0
163.11169	18.5
165.09126	1.8
167.08617	1.5
169.10158	2.7
169.12219	1.7
171.11699	4.4
173.09657	2.6
173.13211	1.4
175.11208	4.1
177.12712	1.7
181.12198	3.1
183.11728	2.1
184.07274	1.2
184.46100	0.9
185.13245	1.4
187.14857	1.3
189.11186	2.6
189.12744	1.9
191.10530	1.9
193.12274	4.4
195.13852	1.0
199.11235	1.1
203.14211	0.9
205.12263	2.9
207.13800	1.8
209.11717	4.8
211.13295	4.0
215.14481	1.2
223.13266	15.9
227.12747	10.9
233.15277	1.5
239.18001	1.3
245.18999	2.1
249.14955	4.7
253.14380	7.3
255.17419	1.9
257.18884	1.8
263.20023	1.0
267.15808	8.2
271.17114	1.1
273.18481	14.1
274.18808	1.1
275.20078	6.7
281.17465	4.9
283.15384	66.2
284.15930	1.7
285.16959	4.6
289.17960	3.2
291.19522	100.0
292.19943	3.5
307.59851	0.9
347.22217	2.3
348.63901	1.1
349.23877	5.9
363.21658	3.0
365.23203	46.2
366.23544	2.2
435.27319	1.7
479.26254	1.9
489.08658	1.1
493.27826	2.4
541.35254	14.6
555.32239	4.4
559.36334	1.4
573.34204	93.5
574.34430	7.0
607.42920	1.9
608.43671	1.8
770.48956	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.3
55.05504	33.6
56.05842	0.4
57.03175	0.5
57.03432	5.4
59.04985	1.5
61.02910	0.9
65.03922	1.5
67.05496	22.7
69.03421	5.5
69.07061	6.7
69.21638	1.1
69.22027	0.9
69.22726	0.4
71.04974	1.7
73.02875	0.5
79.05482	23.0
81.03407	20.7
81.07047	17.9
83.04974	6.9
83.08608	20.8
85.02890	5.4
85.06532	1.3
91.05469	28.2
92.05805	0.7
93.07035	12.0
95.04961	10.2
95.08589	4.0
97.02856	1.4
97.06537	1.9
97.10158	38.2
98.10415	0.6
101.09665	0.6
103.05450	0.7
103.52382	0.4
105.04473	1.1
105.07013	9.6
107.04939	3.5
107.08576	17.1
108.08931	0.5
109.06514	2.7
109.10143	5.3
111.04441	0.7
111.08070	4.9
112.42294	0.4
113.05949	0.7
115.05442	3.6
116.06216	0.6
117.07002	13.2
119.04939	0.5
119.08565	29.8
120.08894	0.4
121.06530	2.1
121.10138	2.8
123.08041	1.0
123.11662	0.6
125.09615	33.9
126.09984	0.4
127.07528	0.5
127.67027	0.4
128.06194	1.5
129.06985	4.6
131.08542	6.4
133.06464	1.7
133.10112	5.3
135.08040	6.3
137.09575	1.1
141.06953	0.8
142.07759	1.8
143.08548	4.1
143.10596	1.5
143.11606	0.4
145.06470	14.3
145.10114	2.8
147.08057	3.9
147.11650	4.7
149.09604	2.2
153.01793	0.6
153.09090	3.0
155.08553	2.1
157.10095	6.8
159.08035	5.2
159.11652	0.8
161.09612	1.1
163.07533	1.1
163.11143	0.9
165.12709	0.9
169.10109	1.6
171.08029	0.4
171.10136	2.3
171.11537	0.8
173.09613	1.8
175.11163	4.9
183.11664	0.8
185.09517	0.7
185.13130	0.5
189.11194	22.9
190.11540	0.4
193.10309	0.8
193.12216	15.7
194.12552	0.6
197.13268	0.4
211.13263	28.6
212.13480	0.7
225.16333	0.9
227.12743	100.0
228.13094	3.1
229.14259	0.8
235.14667	0.6
243.17368	1.5
245.13812	2.7
253.15758	1.8
267.15857	6.4
271.16891	31.8
272.17334	1.0
273.18469	0.5
285.16934	9.4
289.17966	8.8
290.18027	0.5
291.19504	0.5
311.19913	0.5
315.31149	0.4
327.19400	0.7
345.20584	5.7
363.21561	8.3
381.95944	0.4
419.24106	3.7
437.25220	7.7
455.26349	10.8
463.28256	0.7
484.13687	0.4
537.32092	4.4
555.33032	12.9
556.33173	1.3
573.34131	18.7
574.34027	1.0
735.10339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.05510	25.7
57.03431	13.1
63.79937	1.9
66.50517	2.1
67.05503	33.9
69.03421	6.7
69.07066	8.8
69.67796	6.6
71.04996	6.8
75.78288	1.9
78.80224	2.4
79.05491	36.2
81.03413	84.8
81.03896	4.1
81.07055	29.7
83.04972	11.9
83.08614	26.5
84.73912	2.0
85.02897	9.2
85.06499	2.9
91.05473	34.1
93.07047	29.1
95.04962	32.1
95.08607	20.0
97.02895	8.8
97.06548	6.6
97.10163	20.5
101.00637	2.5
105.07017	25.6
107.04944	18.7
107.08596	18.4
109.02882	5.7
109.06539	6.1
109.10110	11.2
111.04379	3.8
111.08075	9.0
113.06004	3.3
117.07030	10.0
119.08580	22.8
121.06520	10.3
121.10152	13.8
123.04471	3.9
123.08064	5.5
123.11784	3.5
125.09611	23.5
129.05489	3.7
129.06973	14.1
130.26286	2.3
131.04927	3.0
131.08553	16.3
133.06459	8.1
133.10138	10.3
135.08025	8.2
135.11690	9.3
137.05977	3.6
143.08568	5.1
145.06470	8.6
145.10092	7.5
147.08043	6.8
147.11673	12.7
149.09627	7.5
151.07500	3.7
153.09151	5.0
155.08595	4.8
157.06580	2.7
157.10130	13.2
163.11217	6.2
167.08578	2.5
171.08051	3.2
173.09567	3.0
173.13174	2.6
175.11150	13.3
181.10068	2.4
187.11171	4.1
189.09116	3.3
189.11206	9.5
191.10645	2.7
193.12270	22.8
197.13445	2.6
199.11150	2.9
199.13263	3.0
199.58119	2.2
205.12083	3.0
211.13304	8.8
212.72858	2.2
217.12476	2.6
219.13799	3.2
226.11957	4.0
227.12778	9.8
231.13805	3.0
233.15323	5.9
237.12590	2.8
249.14909	2.9
259.13461	3.6
267.15881	59.0
273.14877	7.4
281.13791	3.2
282.14606	8.9
301.14319	3.3
339.23123	3.7
349.21475	4.0
357.24377	3.4
367.22736	18.4
385.23792	21.0
385.57266	2.7
403.24695	7.1
433.25635	3.3
435.27652	2.2
441.26221	6.4
457.26053	5.5
459.27390	83.0
460.27521	5.4
473.24945	4.9
474.26053	8.2
475.26901	9.8
477.28439	100.0
478.29028	5.5
491.30429	14.7
501.03110	2.6
507.29349	2.9
509.31277	14.6
543.28802	3.3
585.30200	6.3
603.31573	5.4
621.32166	4.7
718.91608	2.6
763.69763	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	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.4
55.05507	29.7
57.03434	14.9
57.07059	2.4
61.02939	2.6
61.81583	1.3
65.03934	5.0
67.05500	75.7
68.05831	1.9
69.03420	7.9
69.07062	24.1
70.33669	1.2
71.04983	6.2
71.08623	1.4
73.02895	2.4
73.06545	1.3
77.03921	3.2
79.05487	100.0
80.05791	1.3
81.03413	16.4
81.07050	74.4
82.07407	1.9
83.04975	17.9
83.08620	11.5
85.02903	5.9
85.06542	4.7
91.05474	95.6
92.05824	3.0
93.07034	92.8
94.07389	2.4
95.04530	0.9
95.04963	33.7
95.08598	39.9
97.02870	3.1
97.06519	13.1
97.10179	5.5
98.23470	2.6
99.04427	1.2
99.08073	4.4
103.05482	2.9
105.04520	5.2
105.07021	75.9
105.75170	1.2
107.04955	12.6
107.08582	37.1
109.06504	9.7
109.10130	11.8
111.04464	1.6
111.08068	5.3
115.05454	2.0
117.07015	23.4
119.08570	49.8
120.08909	1.9
121.06538	5.1
121.10147	17.4
123.08063	8.8
123.11661	2.9
125.09591	3.2
127.03915	2.6
127.07605	1.6
128.06250	4.9
129.05504	1.4
129.06990	19.7
131.08557	20.4
133.06477	2.3
133.10123	34.1
135.08044	4.0
135.11687	12.9
136.14323	1.5
137.09584	3.1
141.07004	2.5
142.07809	1.5
143.08563	14.9
144.68477	1.4
145.06500	2.1
145.10123	22.0
147.08105	3.0
147.11671	55.1
148.12106	1.4
149.09613	8.2
149.13275	9.8
151.11115	1.9
155.08553	2.7
157.10146	5.8
159.11700	15.0
161.09637	5.5
161.13249	21.4
163.11180	4.5
163.14897	1.7
165.09073	1.6
165.12886	1.6
169.10152	3.6
171.11664	28.5
172.12012	1.4
173.13248	8.9
175.14847	4.9
177.12793	4.1
179.14325	3.2
181.10179	1.3
183.11710	3.2
184.07390	3.6
185.13264	4.4
187.11107	3.0
187.14766	2.8
189.12718	10.3
191.14307	1.5
195.11983	1.4
195.13667	2.5
195.66356	1.4
197.13333	1.3
199.14815	4.4
207.13783	25.7
217.15816	1.8
225.14781	2.3
227.12823	2.8
239.17873	2.6
241.19481	12.3
253.14371	2.8
257.19009	6.2
259.20569	23.8
260.20883	1.4
269.17392	10.8
275.20071	13.0
279.15936	4.1
281.17456	51.7
282.17801	2.6
291.19507	1.9
293.21182	4.2
297.17029	1.7
315.23318	2.8
331.22852	2.0
333.24255	16.2
349.23776	7.2
367.24762	2.6
375.94818	1.5
435.27310	3.2
447.32214	3.6
461.28842	1.7
465.33664	2.2
475.30487	32.9
476.30820	2.6
539.37256	24.0
540.37408	1.7
555.36755	4.8
557.38098	7.9
573.37183	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	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.5
55.05503	24.0
57.03432	9.8
67.05498	63.3
69.07068	24.1
69.81374	10.4
71.04978	5.2
79.05488	83.3
81.03415	12.9
81.07050	84.8
81.35361	3.6
83.04990	19.1
83.08596	11.4
85.06550	5.0
91.05468	71.7
91.88966	3.6
93.07037	90.4
95.04945	28.5
95.08594	30.3
97.02887	5.1
97.06538	9.4
97.10148	10.5
98.23349	5.3
103.05456	5.0
105.07020	57.4
107.04963	10.0
107.08587	36.1
109.06488	8.4
109.10158	13.5
111.08117	5.6
117.07006	15.1
119.08556	39.7
121.06526	6.5
121.10126	12.7
123.08070	8.4
123.11608	4.9
125.09610	5.0
129.07011	20.1
131.08597	19.1
133.10115	15.8
135.11656	7.0
138.85651	4.3
143.08521	12.3
145.10057	20.8
147.08037	5.5
147.11697	34.7
149.09610	10.7
149.13275	6.2
159.11707	11.8
161.09633	5.5
161.13217	15.5
163.11172	7.7
171.11717	28.7
173.13379	5.1
189.12735	11.8
207.13770	32.2
207.45021	4.0
227.12738	6.8
257.18903	6.4
269.17377	11.2
275.20044	22.9
281.17447	74.5
337.75412	4.4
349.23727	14.5
461.28894	31.5
475.30487	100.0
476.31146	8.1
555.36438	40.6
573.37653	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	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.9
55.05508	22.8
57.03437	7.1
57.07062	1.4
59.05001	1.4
61.02908	1.6
65.03934	4.0
66.95952	1.3
67.05502	60.4
69.03422	4.0
69.06764	1.6
69.07072	21.2
70.47720	1.2
71.04975	6.0
73.02901	2.1
73.74248	1.2
77.03931	2.3
79.05489	73.2
81.03410	11.8
81.07052	63.5
83.01324	1.5
83.04612	1.4
83.04984	16.1
83.08614	11.5
85.02885	3.6
85.06539	5.7
91.05476	57.4
93.07041	68.1
95.04963	23.7
95.08606	26.4
97.02866	3.5
97.06518	10.8
97.10160	4.9
98.12741	1.3
105.04489	2.4
105.07024	45.1
107.04948	10.7
107.08591	34.8
107.66679	1.3
109.06499	9.2
109.10159	16.3
111.08070	4.7
113.09608	1.3
117.06996	13.0
119.08572	29.3
119.61623	1.3
121.06469	4.8
121.10125	10.9
123.08046	7.3
123.11696	4.8
125.09644	2.1
128.06346	1.4
129.06985	9.8
130.07872	1.4
131.08556	12.4
133.06490	3.4
133.09171	2.3
133.10124	28.8
135.08011	2.4
135.11684	13.5
137.09601	1.8
143.08531	6.8
145.10123	15.5
147.08049	2.4
147.11674	24.8
149.09579	6.2
149.13219	5.4
151.11169	9.6
155.08539	1.8
157.10155	3.2
159.11685	6.2
161.09648	6.9
161.13243	9.9
163.11160	6.5
169.12183	1.5
171.10278	2.5
171.11658	16.0
173.04465	1.8
173.13263	2.5
177.12732	3.4
180.42455	1.5
181.12256	1.4
183.11623	1.8
189.12700	8.7
195.13847	3.4
207.13800	18.7
223.13159	1.5
227.12750	2.5
239.17844	2.6
245.18953	1.9
253.14352	32.9
254.14734	2.1
255.15897	5.0
257.18942	4.1
267.15918	1.9
269.17459	16.4
273.18500	8.0
275.20047	12.5
281.17441	50.1
283.15369	11.3
291.19550	5.1
331.22888	1.6
347.21820	2.0
349.23636	10.1
361.20071	1.4
365.23227	5.7
367.24722	4.0
385.96298	1.5
424.71436	1.4
458.22443	1.6
461.29004	19.0
475.30527	100.0
476.30835	7.0
479.26315	7.3
555.36786	20.6
573.33868	17.0
619.34375	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	771.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80775	0.5
69.88112	0.9
69.88472	1.1
95.08606	0.4
137.06020	0.6
153.01833	1.6
203.05330	1.7
219.10246	2.2
320.44583	0.6
327.41632	0.5
334.11511	0.6
347.12402	0.8
349.10599	1.7
363.12076	1.6
364.12833	3.2
365.13745	1.4
379.11639	1.7
381.13260	2.3
393.13397	0.7
394.13821	2.3
395.14859	2.0
463.34018	0.6
486.05463	0.5
545.20117	1.3
555.18140	1.2
559.18115	1.8
573.19452	2.6
574.20276	1.7
591.22314	0.9
660.10962	0.5
677.57800	0.7
771.28253	100.0
772.28577	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	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39368	0.6
55.01865	2.2
55.05508	14.5
55.27146	0.5
57.03427	7.2
57.07059	1.9
61.02920	18.4
65.03932	1.1
66.54094	0.5
67.05500	28.7
69.03420	9.5
69.07064	11.6
69.07706	2.0
69.08109	1.7
70.87905	0.5
71.01345	1.5
71.04995	1.9
71.08633	0.7
71.98883	0.6
73.02915	10.7
79.05486	19.6
81.03417	4.2
81.07050	28.2
83.04974	1.6
83.08610	6.3
85.02895	16.6
85.06550	1.4
87.04457	1.0
91.03955	8.7
91.05471	15.8
93.06442	0.9
93.07036	18.9
95.04961	4.7
95.08599	21.3
95.28541	0.5
97.02885	14.7
97.06491	2.6
97.10156	3.8
99.04457	2.2
99.08108	0.9
101.02392	1.8
105.04511	1.6
105.07019	15.2
107.04950	2.1
107.08582	14.7
109.02869	1.5
109.06503	1.7
109.10151	9.5
111.04442	1.1
111.08103	1.2
111.11735	0.6
115.03931	0.9
115.05450	1.2
117.07010	9.8
119.08565	14.2
121.06487	1.5
121.10128	8.8
123.08112	1.2
123.11698	1.8
125.09585	1.4
127.03925	3.0
128.06178	3.4
129.06985	11.2
130.07758	1.1
131.08554	14.2
131.09457	1.0
131.22043	0.5
133.10130	11.1
135.08066	0.9
135.11679	6.4
136.20297	0.5
137.09584	0.6
137.13226	1.5
139.11183	0.7
141.06975	5.5
142.07814	2.8
143.08545	13.2
144.09381	0.7
145.04953	1.0
145.06480	0.6
145.10112	14.2
147.11688	7.4
149.09624	1.6
149.13252	3.2
151.11232	0.6
153.06941	1.7
154.07784	1.4
155.08545	9.3
156.09248	1.8
157.10109	12.7
158.10777	1.0
159.08055	0.9
159.11670	9.7
159.12927	0.7
161.13235	3.2
163.11176	1.9
163.14803	0.8
165.07021	1.1
166.07831	1.4
167.08536	5.1
168.09355	2.2
169.10107	15.7
171.11678	13.1
171.13045	1.0
172.12201	0.6
173.13260	7.1
175.14827	2.1
177.12865	0.6
177.16373	0.6
179.08516	2.7
180.09386	0.7
181.10120	7.9
182.10902	1.6
183.11681	13.8
183.13303	0.8
184.07367	1.3
185.13223	9.7
187.14784	4.0
189.16287	0.7
192.09384	0.9
193.10097	2.8
194.10852	1.1
195.11694	8.1
196.12407	1.1
197.13235	11.9
197.14886	1.0
198.13760	0.7
199.13246	0.9
199.14841	6.1
201.16458	2.1
203.17972	0.6
207.11681	3.5
209.09677	1.0
209.13271	6.0
211.14798	6.0
211.16646	0.8
213.16414	3.4
215.17923	1.1
219.11638	1.0
221.13301	3.1
223.14824	5.3
225.12866	0.6
225.16353	4.3
227.17961	2.8
233.13280	1.3
235.14929	2.6
237.16354	3.5
239.18036	2.9
241.19710	1.0
247.14784	0.9
249.16460	1.7
251.18010	1.9
253.19592	1.9
262.40292	0.7
263.18057	1.0
265.19519	1.9
279.21060	1.0
281.22552	0.8
283.20480	1.1
297.21957	0.7
301.72137	0.6
307.20569	1.2
309.22275	0.9
311.23669	1.2
315.17990	1.3
321.22131	1.2
323.23776	1.3
327.23050	0.9
335.26245	1.7
337.25055	1.3
339.26971	0.9
341.24661	0.7
349.25195	1.3
351.22946	0.8
351.26852	1.7
355.26166	0.7
363.26865	0.7
365.28412	1.3
369.28226	0.9
375.26932	1.0
379.30246	0.8
381.27841	0.9
407.29227	0.6
409.30847	0.8
447.32657	0.8
449.34113	0.8
461.34189	0.8
473.33212	1.0
481.33051	0.7
499.39255	1.4
501.35727	1.7
509.35944	0.8
515.37622	1.3
517.40338	6.1
521.36426	0.8
525.35828	0.8
527.37793	0.7
529.39532	0.7
535.41760	3.2
539.37244	1.5
541.39032	0.8
543.36664	1.5
553.40198	0.9
575.39502	1.0
591.43933	7.2
600.93134	0.7
607.43225	2.1
609.45068	100.0
610.45349	8.5
611.46741	1.3
621.44849	1.8
651.45813	1.0
667.39484	0.8
735.47791	0.9
753.49530	1.9
771.51740	17.5
772.50928	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05257	0.8
55.05508	11.3
57.03434	5.6
57.07064	1.9
61.02919	13.9
65.03948	1.4
67.05499	23.9
69.03432	8.1
69.07063	10.8
69.91587	0.7
71.04984	1.8
71.08620	1.0
72.52321	0.7
73.02908	8.5
75.49712	0.6
79.05483	18.1
81.03429	4.7
81.07051	22.3
83.04985	2.3
83.08614	5.9
84.31238	0.7
85.02897	11.8
85.06522	1.5
86.09705	1.4
91.03951	6.9
91.05472	17.0
93.07035	19.1
94.07366	0.8
95.04959	5.0
95.08596	18.7
97.02889	11.0
97.06534	2.5
97.10174	2.0
99.04482	1.0
101.02392	1.4
105.04561	0.9
105.07019	15.8
107.04977	2.4
107.08580	11.1
109.02883	1.0
109.06511	2.4
109.10143	6.9
111.08031	1.3
115.03883	1.2
115.05434	1.8
116.96530	0.7
117.07004	9.1
119.08560	12.0
119.09302	1.1
120.08878	0.9
121.10132	8.9
123.08058	1.4
123.11708	1.7
125.09643	1.7
127.03902	2.7
128.06216	2.8
129.05457	1.0
129.06985	9.9
130.07826	1.1
131.08566	12.8
133.10110	9.0
135.08078	1.7
135.11674	4.1
137.06012	0.8
137.13235	1.1
141.06975	4.6
142.07759	2.9
143.08553	12.2
145.10114	11.8
147.11661	6.3
149.13231	1.0
151.11125	1.1
153.07037	1.7
154.07764	0.8
155.08530	9.8
156.09268	1.2
157.10100	13.0
159.11656	8.9
161.13258	3.5
163.14835	2.1
165.06966	0.8
167.08563	3.0
168.09312	1.0
169.10101	11.5
169.11452	1.1
171.11665	10.9
173.09608	0.7
173.13196	4.3
175.14841	1.8
179.08543	1.4
180.09351	0.7
181.10162	6.3
182.10893	1.7
183.11681	10.6
184.07330	3.6
185.13257	6.8
187.14780	3.3
189.16444	1.0
193.10149	2.1
195.11697	8.4
196.12314	1.1
197.13252	7.5
199.14778	4.6
201.12743	0.7
201.16434	1.8
203.18008	0.9
205.10251	0.9
207.11720	2.4
209.13223	5.0
211.14813	5.5
213.16389	3.8
215.14182	1.1
215.17934	0.8
221.13263	3.9
223.14775	4.4
225.16351	3.6
227.17973	2.2
231.11552	0.9
233.13347	1.0
235.14836	2.1
237.16376	2.9
239.18008	2.2
241.19611	1.5
247.14815	0.9
249.16443	1.3
251.17944	1.8
259.20734	1.2
263.18045	0.9
273.16360	0.8
283.15613	0.8
283.20618	1.1
285.22195	0.8
297.22064	1.0
299.20273	0.8
313.21820	1.2
337.25208	1.9
339.23251	0.8
339.27008	1.1
349.24942	1.3
351.26804	1.4
361.25299	0.8
363.26816	1.0
365.28464	1.6
381.27701	1.0
439.30832	0.7
447.32358	1.3
499.39743	1.2
501.35699	0.9
515.37592	1.3
517.40643	5.0
535.41309	2.9
539.37433	1.4
541.38379	1.2
543.37018	2.0
553.41425	0.9
555.42456	1.0
591.44159	6.4
607.43195	2.8
609.45062	100.0
610.45532	8.8
621.45398	1.7
633.45087	1.1
645.03473	0.9
651.46039	1.3
717.47058	1.4
735.48248	1.7
753.49030	2.5
771.50568	22.5
772.50238	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	772.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.4
55.05260	3.3
55.05507	38.7
56.96576	2.6
57.03229	2.2
57.03436	26.3
57.86159	2.1
59.04998	27.5
65.03944	4.3
67.05500	92.6
69.03435	11.5
69.07068	15.9
71.04991	21.1
77.03921	2.7
79.05489	48.9
81.03413	100.0
81.03893	5.6
81.07053	55.4
81.07516	1.5
83.04980	22.9
83.08618	36.6
85.02908	11.0
85.06538	6.4
87.04459	26.1
91.05471	42.4
93.07047	36.0
94.31560	2.4
95.04967	41.7
95.08588	22.5
97.02880	10.3
97.06519	12.8
97.10166	21.0
98.23463	4.4
99.04457	10.9
101.06018	2.9
105.04501	2.3
105.07030	32.7
107.04953	21.1
107.08582	21.7
109.02906	4.7
109.06506	10.4
109.10158	45.8
111.04437	10.0
111.08044	10.7
115.05411	2.4
117.06997	10.5
119.04890	2.4
119.08574	29.1
121.02866	3.7
121.06519	12.0
121.10133	22.4
123.04422	5.6
123.08018	5.5
125.05988	3.3
125.09630	14.7
127.03973	2.4
129.07022	17.9
131.08554	26.6
133.06505	6.5
133.10146	13.3
135.04388	6.9
135.08044	7.3
135.11679	8.4
137.05991	5.0
137.09596	4.0
137.37209	2.1
141.06926	4.0
143.08559	4.6
144.00308	2.1
145.06482	2.7
145.10097	12.4
147.04366	3.9
147.08058	9.5
147.11676	19.0
149.09618	25.0
153.01822	9.4
153.09103	6.2
153.12694	7.4
155.08551	4.0
155.10680	3.7
157.06543	3.4
157.10104	17.7
159.11685	3.1
161.05939	3.9
161.09717	2.6
163.11220	15.1
165.12849	2.4
168.89722	2.5
171.11703	3.3
173.09622	3.9
173.11754	8.6
173.13144	2.8
175.11179	19.7
177.12900	2.9
181.12245	8.8
183.11684	3.6
184.07320	2.5
185.13190	2.6
189.11266	12.9
189.12662	2.5
191.10667	8.4
193.12225	64.2
197.13560	2.3
199.13275	9.5
203.14268	2.6
205.12257	5.3
207.13826	3.8
209.11742	9.2
211.11400	2.2
211.13266	45.7
211.15126	3.8
213.12885	2.5
215.14388	2.2
221.15269	2.7
223.13300	4.8
225.14761	12.2
227.12660	22.4
229.12181	4.5
229.14326	40.1
231.13799	3.3
235.13326	2.4
241.14204	3.6
243.15906	2.9
247.13332	9.5
249.14848	16.3
259.13217	3.6
263.16333	3.0
267.09003	2.5
267.15903	59.6
268.16330	2.4
273.14725	4.1
283.15332	12.4
285.10376	2.9
289.14124	2.7
301.14374	2.8
315.17911	4.9
337.21655	4.7
355.22601	9.9
365.21005	9.8
373.23584	7.8
383.22171	28.9
401.23273	17.5
407.30035	2.6
409.25919	4.3
415.24884	3.3
419.24069	2.8
421.25830	29.2
433.25726	7.0
447.27484	4.8
457.25711	8.6
475.26837	20.1
486.16370	2.4
489.27945	3.2
493.27789	8.3
507.29498	20.3
525.30511	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	772.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.8
55.05503	19.6
57.03430	18.4
57.07065	5.0
59.49738	2.4
65.03956	4.0
67.05499	43.6
67.70534	2.3
69.03420	10.5
69.07063	12.8
71.04984	13.3
71.42825	2.3
79.01844	4.4
79.05484	53.3
79.94840	2.4
80.05806	2.4
81.03410	78.8
81.07052	40.0
83.04982	20.3
83.08599	20.7
85.02894	15.4
85.06535	5.5
87.04505	2.5
87.82784	2.1
90.11236	2.1
91.05470	38.3
93.07035	41.4
95.04963	41.9
95.08587	19.9
96.37129	2.0
97.02872	11.0
97.06536	8.4
97.10155	12.3
98.98485	2.6
99.04463	3.2
99.08059	3.6
105.04462	4.1
105.07022	31.5
105.07668	3.9
107.04954	20.9
107.08592	22.8
109.02869	7.3
109.06504	12.0
109.10157	20.5
111.04456	8.1
111.08092	10.0
113.05965	2.3
117.06987	12.7
119.08586	20.5
121.02856	3.4
121.06505	12.8
121.10145	25.1
123.04451	10.4
123.08048	8.2
123.11688	4.6
125.05985	3.5
125.09632	9.9
127.03934	7.3
129.05467	3.3
129.06961	12.7
131.04903	3.5
131.08557	20.5
133.06490	6.9
133.10118	13.4
135.08078	7.1
135.11688	11.3
137.05934	6.2
137.09648	5.1
139.11162	5.7
141.12639	2.9
143.03380	3.6
143.08549	4.6
145.06500	6.9
145.10104	16.7
147.04359	3.2
147.08044	8.0
147.11662	7.6
149.05945	3.3
149.09607	11.6
153.01810	43.4
153.02911	4.1
153.09128	5.3
153.12766	5.0
154.02141	5.7
155.08521	2.6
157.10144	9.7
159.08087	2.6
159.11734	4.4
161.05936	4.1
161.09602	3.9
163.11137	16.9
167.10689	2.9
169.10123	2.9
171.11644	5.0
173.04333	2.7
173.05960	2.7
173.09630	9.7
175.07591	2.6
175.11194	10.2
181.12198	4.5
189.09215	3.2
189.11052	2.7
189.12692	2.9
191.10663	9.6
193.12231	17.9
203.14351	2.7
205.12216	4.5
207.13718	3.8
207.57394	2.8
209.11667	17.9
211.13309	6.0
223.13287	6.3
227.12820	8.1
229.14384	7.3
231.13719	4.5
235.13307	7.3
241.14207	11.4
249.14894	3.2
258.03705	2.3
259.15421	14.3
265.14426	5.5
267.15897	38.0
268.16159	3.3
271.13196	2.7
283.15472	6.3
289.14063	2.5
291.26727	3.0
301.16382	10.4
309.16882	12.0
309.27826	2.1
315.18274	4.8
321.17230	3.4
355.22629	3.0
365.21036	2.9
383.22037	12.3
401.23291	8.3
419.24313	5.1
421.25714	6.3
422.26373	2.9
423.26230	5.5
433.25784	8.0
447.27472	3.9
457.25922	25.2
475.26874	100.0
476.27267	8.2
489.28717	2.8
493.27902	42.2
507.29517	16.1
511.28708	7.8
525.29761	6.5
601.29108	4.8
619.30951	4.4
637.31708	5.7
740.36517	2.3
772.48730	12.5
796.58209	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	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	18.4
55.05252	4.7
55.05506	59.0
57.03436	27.8
59.04991	3.0
61.02910	7.2
65.03922	3.7
67.05157	5.1
67.05498	72.1
69.03423	16.6
69.07056	41.3
69.87520	8.0
71.04979	9.7
73.02871	2.5
79.05484	84.7
79.05946	4.5
81.03412	61.2
81.07049	79.1
83.01339	7.2
83.04966	31.6
83.08612	38.8
85.02891	24.2
85.06545	3.3
91.03971	4.0
91.05463	65.1
93.07034	72.2
95.04955	42.5
95.08595	34.0
96.61662	2.8
97.02888	17.0
97.03396	2.7
97.06511	19.0
97.10149	20.7
98.22775	2.9
99.04436	4.4
105.04489	4.7
105.07014	56.2
107.04949	23.7
107.08588	52.0
108.88785	2.3
109.02814	3.1
109.06505	19.7
109.10125	14.9
111.04421	8.5
111.08052	11.9
115.05503	3.0
117.06998	25.1
119.08568	40.4
121.06485	5.7
121.10116	23.8
123.08058	11.2
125.09612	13.3
127.03872	4.2
129.06963	14.5
131.08542	32.5
133.06479	4.9
133.10117	31.1
135.08041	10.3
135.11694	17.7
137.09598	7.5
142.07774	2.9
143.08549	3.8
145.10075	31.2
147.08040	8.1
147.11671	21.9
149.09560	14.1
149.13251	9.2
151.11168	3.7
155.08568	5.1
157.10138	11.7
159.11665	10.4
161.09566	3.8
163.11165	30.3
171.11636	4.1
173.13245	4.5
175.11189	10.2
177.12755	5.3
181.12218	7.1
183.11659	3.7
189.11180	8.8
193.12215	36.2
209.11720	9.3
211.13255	48.5
222.40907	2.5
223.13284	16.6
227.12747	23.2
246.06966	2.5
249.14761	3.8
255.15912	7.1
257.18988	9.9
267.15881	27.3
269.17447	17.3
273.18448	12.3
275.20041	29.0
283.12201	5.1
283.15332	91.6
285.16925	50.5
291.19519	100.0
292.19775	4.5
296.79092	3.0
303.29581	2.9
331.22681	3.5
349.23730	20.0
365.23224	38.1
414.74390	2.7
453.24646	4.4
463.26740	25.1
477.28424	77.9
517.31354	3.5
526.11938	2.8
539.33362	3.3
557.34601	68.7
558.34766	5.2
575.35699	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.6
55.05510	34.0
57.03431	21.5
59.04992	2.6
61.02914	5.5
65.03934	4.4
67.05498	77.4
69.03404	10.6
69.07064	32.8
70.92822	3.3
71.04996	11.1
73.02900	3.0
79.05486	74.6
81.02959	3.4
81.03413	54.9
81.07050	100.0
82.47624	1.9
83.01342	6.4
83.04972	30.6
83.08605	27.9
85.02898	20.2
85.06541	7.5
91.05474	81.3
93.07040	77.0
95.04967	32.0
95.08593	39.0
96.05168	2.3
97.02889	10.4
97.06529	19.5
97.10170	6.2
99.04461	4.6
99.08102	3.7
103.05490	2.4
105.04470	3.1
105.07019	56.6
107.04945	23.7
107.08578	47.0
109.02914	2.7
109.06503	17.1
109.10149	39.7
111.04438	6.9
111.08081	13.8
113.05987	3.0
115.05425	4.2
117.07005	23.4
119.08567	39.3
121.06503	9.7
121.10154	22.6
123.04441	5.0
123.08064	16.9
123.11696	9.2
125.09622	8.7
128.06221	2.5
129.06975	14.4
131.08549	25.5
133.06496	6.8
133.10112	64.9
135.08063	13.1
135.11671	22.0
137.09599	6.4
141.07007	3.5
142.07724	6.4
143.08612	3.2
145.06465	4.0
145.10106	24.3
147.08031	10.1
147.11673	18.0
149.09605	15.2
149.13309	11.1
151.11177	25.5
153.12769	4.1
155.08583	4.2
157.10114	14.4
159.11696	12.0
161.09573	9.7
161.13310	3.2
163.11168	29.3
165.12737	4.1
169.12253	3.8
171.11690	4.5
173.04527	2.5
173.09573	5.0
173.13237	3.4
175.11180	12.3
177.12741	4.2
179.14368	2.2
181.12204	6.5
185.13260	3.3
189.11081	2.4
191.10643	3.0
193.12207	34.5
195.13884	3.0
209.11725	6.0
211.13251	50.8
215.12750	3.1
219.13963	2.3
227.12764	7.6
239.17989	2.5
245.19049	6.8
253.14354	43.7
255.15942	10.3
257.18909	4.1
267.15848	17.4
269.17456	35.9
271.15396	4.4
273.18494	26.7
275.20053	15.4
283.15372	67.3
284.15686	3.7
285.16934	40.9
291.19534	33.2
292.19656	2.7
309.20636	2.9
334.77924	2.2
347.22131	10.3
349.23737	15.1
365.23245	29.4
367.24796	3.4
439.18719	2.5
445.25833	3.9
463.26797	34.0
477.28448	95.4
478.28806	7.3
481.27881	11.7
539.33356	6.0
557.26318	2.8
557.34619	41.3
575.35712	43.0
576.36108	3.9
773.40424	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	772.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.3
55.05509	30.7
57.03157	2.4
57.03430	15.6
57.07092	2.2
61.02924	2.2
65.03921	5.0
67.05496	72.9
69.03411	11.9
69.07062	30.2
69.25230	2.0
71.04974	7.6
74.20336	1.8
77.03939	2.3
79.05489	54.6
80.04546	1.9
81.02908	2.0
81.03410	62.1
81.07047	75.6
83.04977	25.1
83.08616	23.3
85.02898	22.3
85.06541	6.5
91.05473	81.6
92.16753	1.9
93.07032	50.7
95.04415	2.9
95.04962	32.1
95.08597	25.6
97.02891	11.4
97.06519	8.7
97.10186	9.5
99.04446	2.8
101.20188	2.0
105.04556	2.5
105.07022	57.2
105.07733	3.9
106.07333	1.9
107.04946	16.9
107.08582	38.2
109.05816	1.9
109.06478	11.5
109.10143	47.8
111.04432	4.8
111.08096	12.4
113.05991	4.7
115.05395	2.6
117.07010	8.2
119.08568	32.3
121.06490	8.1
121.10151	15.3
123.08070	8.1
123.11690	9.8
125.09600	4.3
125.87856	2.0
127.07506	3.2
128.06184	2.3
129.06998	15.1
131.08549	16.6
133.06487	8.8
133.10117	68.7
134.10468	2.0
135.08047	8.7
135.11684	9.1
137.09619	4.7
142.07784	3.5
143.08540	6.2
145.10130	8.8
147.08035	7.4
147.11632	16.5
149.09583	12.0
149.13280	2.2
151.11168	27.1
157.10133	13.5
159.08012	2.2
159.11688	4.3
161.09628	4.6
163.07510	1.8
163.11201	5.0
165.12822	2.3
166.74225	1.9
169.12207	4.4
171.11572	2.4
175.11165	16.1
177.12691	3.1
179.10619	2.8
185.13371	2.1
189.11174	2.1
193.12230	40.6
203.10545	2.1
209.11711	2.4
211.13257	63.1
215.12659	2.4
223.13293	5.7
227.12817	2.4
245.19035	2.6
251.12717	2.3
253.14322	100.0
254.14525	2.5
263.20047	4.1
267.15872	20.6
273.18448	26.3
275.20050	3.7
283.15378	4.8
285.16919	43.9
286.17477	2.3
291.19537	53.0
292.19946	2.7
347.22162	6.2
365.23135	43.3
366.23462	2.9
445.25607	3.4
463.26743	12.9
477.28058	2.0
481.28082	9.8
539.33484	4.3
557.34558	28.3
558.35187	2.9
575.35693	64.4
576.35876	3.8
772.39178	3.1
773.40820	2.7
796.83612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	17.2
55.05260	2.8
55.05507	41.8
57.03433	19.9
57.07077	2.2
59.04985	4.5
61.02913	7.0
65.03938	5.3
67.05499	71.0
68.05841	2.4
69.03417	13.9
69.07061	28.8
69.57073	8.1
71.01334	3.9
71.04987	9.5
73.02893	2.6
77.03926	2.8
79.05489	69.1
79.05949	3.9
81.03413	26.3
81.07048	89.2
82.07375	2.9
83.01334	11.4
83.04976	27.2
83.08612	24.1
85.02888	19.3
85.06528	4.0
91.03970	2.4
91.05470	75.6
93.07034	87.3
95.04955	24.9
95.08591	42.0
96.05444	1.8
97.02875	14.1
97.06525	14.6
97.10186	6.5
98.09673	2.7
99.04445	6.2
99.08085	5.5
103.05448	3.3
105.04478	5.0
105.07025	64.0
106.07364	2.0
107.04942	20.1
107.08584	43.5
109.06505	14.3
109.10133	15.0
111.04420	6.0
111.08060	7.5
115.05437	4.4
117.07001	31.4
119.07738	3.3
119.08569	54.5
119.98530	1.8
120.08933	2.1
121.06461	9.6
121.10144	24.5
123.08041	14.6
123.11691	3.6
125.05979	3.0
125.09643	6.7
127.03908	5.2
128.06226	3.1
129.05472	6.4
129.06982	13.4
130.07777	3.4
131.08559	28.8
133.10110	38.1
134.10469	2.4
135.08040	8.2
135.11681	30.5
137.09604	5.7
139.07547	2.5
141.06870	2.2
142.07750	2.1
143.08565	9.4
144.09320	2.0
145.04944	3.0
145.06438	2.7
145.10100	38.3
147.08041	5.7
147.11679	25.2
149.09612	10.4
149.13223	13.9
151.11136	4.4
153.09067	1.9
153.12750	5.6
155.08525	4.4
157.10132	8.0
159.11694	21.7
161.09488	1.9
161.13264	10.9
163.11157	45.9
163.14833	2.6
164.11539	1.9
171.11650	9.8
173.09604	6.6
173.13232	10.7
175.14804	4.8
177.12762	5.1
179.14372	2.2
181.10185	1.8
181.12178	6.6
183.11708	3.1
185.13274	5.8
187.11163	2.0
187.14833	2.5
189.11259	3.6
191.10687	6.1
191.12419	1.7
195.11870	2.8
195.13847	5.9
197.13239	3.9
199.14758	3.9
207.13951	1.9
209.11676	16.3
227.12766	19.2
239.17932	2.5
241.19530	12.2
247.20723	2.0
253.14326	3.9
257.18973	7.4
259.20538	37.3
260.20978	2.5
267.16061	2.8
269.17429	13.8
275.20035	17.3
283.15375	100.0
284.15579	4.9
293.20972	5.1
297.22162	2.6
303.15979	2.0
315.23224	5.0
333.24136	25.1
349.23785	8.9
449.30301	3.8
467.31305	3.5
477.28433	47.8
478.28952	3.3
480.26672	3.0
489.28320	3.0
501.23697	2.1
523.33722	5.3
541.35126	34.7
542.35114	2.4
557.34509	5.2
559.36108	6.5
575.35339	8.3
700.59796	2.2
725.70258	2.1
772.39166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.2
55.05503	41.2
57.03434	16.4
61.02927	2.8
61.16267	2.6
61.22561	2.3
65.03944	6.2
67.05495	47.2
67.05823	4.8
69.03415	7.5
69.07065	16.4
71.04983	6.5
79.05486	55.3
81.03406	46.3
81.07050	63.5
81.07505	5.0
83.04966	16.6
83.08596	24.0
85.02888	22.5
86.09686	2.5
91.03933	3.0
91.05470	94.3
93.07029	47.8
95.04954	29.5
95.08595	39.1
97.02852	3.8
97.06522	7.8
97.10139	12.6
98.23454	5.5
103.05450	2.9
105.04465	4.0
105.07018	64.3
106.07443	3.0
107.04943	8.1
107.08582	24.7
109.06502	13.3
109.10155	9.6
111.04377	3.2
111.08077	9.0
113.05929	2.9
115.05439	10.4
116.06248	2.6
117.07009	35.5
119.08569	41.2
121.06530	8.0
121.10159	14.3
123.08060	8.9
125.09626	6.2
128.06197	27.5
129.06989	35.5
130.07767	9.3
131.08549	100.0
133.06462	6.0
133.10109	20.8
135.08040	4.9
137.09589	4.9
139.11182	3.3
141.06999	10.8
142.07753	9.9
143.08551	87.3
144.09256	3.6
145.06473	2.6
145.10101	79.9
145.11223	4.8
146.35368	2.6
147.08051	13.2
147.11659	19.7
149.09622	9.9
155.08577	8.6
157.10100	36.0
159.08041	4.0
159.11676	16.2
161.09619	10.9
163.11195	8.2
165.06969	3.4
165.12790	2.9
167.08540	3.3
169.10095	14.3
171.11627	17.3
175.11137	13.1
177.12680	3.2
181.10094	13.0
183.11697	9.3
183.31465	2.3
184.07384	5.5
185.13216	6.4
193.12212	34.5
195.11658	18.3
197.13197	4.8
199.11214	3.7
199.14857	3.7
201.12683	3.9
203.45796	2.9
209.13469	3.1
211.13255	45.1
211.15073	5.1
228.06912	3.1
237.16325	21.3
245.19016	3.6
255.17415	23.1
267.15833	28.5
273.18469	77.7
285.16904	85.4
286.17322	4.0
291.19507	3.4
293.18823	2.6
329.21072	10.7
347.22046	50.2
529.95557	3.5
539.33679	27.2
557.34668	68.9
558.34369	4.7
575.35950	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	772.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.4
55.05507	23.7
57.03434	15.0
57.07066	3.8
59.04997	3.5
61.02915	5.9
65.03922	4.1
67.05501	76.9
69.03411	4.9
69.06721	1.4
69.07067	22.3
69.16281	6.8
69.45387	1.3
71.01348	5.6
71.04986	9.2
73.02920	2.9
77.03923	2.9
79.05486	66.5
80.05807	1.6
81.03409	28.8
81.07053	78.8
83.01336	3.1
83.04965	15.4
83.08607	14.5
85.02905	11.1
85.06535	5.8
86.09690	3.3
87.04417	1.3
91.03952	2.0
91.04936	2.6
91.05475	41.3
92.05759	1.5
93.07038	72.2
94.07357	1.4
95.04967	17.3
95.08599	53.8
97.02883	14.1
97.06527	12.6
97.10162	6.8
99.04451	2.6
103.05479	1.9
105.04498	4.3
105.07021	27.6
107.04950	16.1
107.08586	35.2
109.02849	2.2
109.06504	10.3
109.10136	18.1
111.03677	1.5
111.04433	29.1
111.08077	5.3
113.05995	2.7
117.07020	18.2
119.08570	26.4
120.28355	1.4
121.06486	9.6
121.10136	30.5
123.08051	8.3
123.11674	4.3
124.99967	2.9
125.05987	7.1
125.09602	3.6
129.07019	7.1
130.07846	1.5
131.04919	1.8
131.08553	17.5
133.10103	11.0
134.33308	1.5
135.08015	3.3
135.10744	1.1
135.11682	27.8
137.09581	2.4
143.08522	4.2
145.06551	1.8
145.10107	25.7
147.08022	6.3
147.11664	4.5
149.09607	3.4
149.13242	4.9
151.11197	1.4
151.14804	1.7
153.12723	11.5
155.08521	4.6
157.10101	3.3
159.11670	5.9
161.09604	2.1
161.13222	4.9
163.11169	32.2
163.14818	1.4
165.12694	1.3
171.11710	2.2
173.09653	8.3
173.13252	6.7
175.14931	3.4
181.12199	6.1
183.11635	1.6
184.07315	7.6
185.13271	1.9
187.14818	1.8
191.10667	10.3
193.12181	2.5
197.13188	2.1
201.16370	1.7
209.11655	13.1
219.74983	1.3
223.13242	17.5
227.12749	10.7
241.14310	28.9
242.14702	1.7
243.21114	1.8
259.20566	2.5
261.22192	9.1
265.14355	7.7
283.15341	17.6
299.23764	2.6
315.17981	48.6
316.18243	2.5
317.24869	1.7
335.25787	97.9
336.25970	3.8
433.30991	3.3
451.31897	4.4
467.85489	1.5
469.33374	2.2
507.34219	1.5
523.26105	1.5
525.35571	12.4
526.35522	1.6
543.36761	68.3
544.36780	5.0
557.38446	1.6
561.38171	2.4
575.39386	100.0
576.39661	8.7
609.44519	3.0
610.45300	12.2
772.50812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.5
55.05506	19.0
57.03436	8.5
57.07087	1.8
61.02913	1.9
65.03940	2.0
67.05502	62.8
69.03422	3.2
69.07067	31.9
69.19666	1.3
69.21825	7.7
71.04990	26.4
77.03925	1.6
79.05487	36.8
81.03403	14.8
81.07051	77.7
83.04981	8.2
83.08621	15.4
85.02886	2.5
85.06545	3.9
91.05470	66.7
93.06450	2.4
93.07039	43.4
93.07603	2.9
93.87414	1.3
95.01340	6.1
95.04963	19.6
95.08601	29.8
97.02898	2.1
97.06530	23.5
97.10181	4.1
98.23421	3.2
99.08047	2.5
103.05509	1.5
103.81834	1.3
105.04513	3.8
105.07021	72.6
107.04948	14.1
107.08593	24.4
109.06513	6.3
109.10152	14.5
111.04457	2.2
111.08079	4.5
115.05451	3.3
117.07006	15.1
119.08569	33.8
120.08937	1.5
121.06511	6.1
121.10124	11.5
123.08086	3.2
123.11713	6.7
125.09653	3.8
127.67574	1.4
129.07018	3.3
131.08563	20.4
133.10123	47.8
135.08044	5.3
135.11703	9.4
137.09662	2.0
141.07005	2.2
143.08513	4.1
145.06451	1.9
145.10101	14.2
147.08028	2.0
147.11693	15.8
149.09598	8.7
149.13229	9.1
151.11174	8.5
155.08575	1.6
157.10133	4.6
159.11678	11.4
161.13266	6.5
163.11185	4.8
169.10095	2.4
169.12292	2.5
171.11658	2.7
173.13269	2.8
177.12741	5.3
179.14281	11.6
183.11792	2.2
183.13806	2.0
184.07367	3.9
187.11226	4.2
187.13223	3.2
193.12227	3.9
195.13902	1.9
197.13280	1.9
225.14874	6.0
241.34253	1.5
251.16560	3.6
253.14406	2.3
257.17209	1.7
259.20544	3.3
267.15967	6.8
269.17499	12.0
271.15421	2.5
275.20038	52.3
283.15454	1.9
293.21133	4.2
301.20056	22.5
333.24417	2.3
349.23709	21.5
447.27448	4.8
463.30426	2.0
495.30005	2.4
500.20233	1.7
517.35223	39.6
529.35858	1.6
531.36816	9.2
531.43433	1.5
541.34924	4.1
543.36749	100.0
544.36884	5.4
557.61188	1.6
575.39380	61.5
576.39471	5.0
687.40674	2.5
719.43439	3.2
773.40668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2123
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01868	0.4
56.76925	0.2
57.03443	1.4
61.02911	0.9
65.03938	0.2
68.99794	0.4
69.03417	1.4
69.36989	0.7
71.04990	8.7
73.02906	0.4
75.04453	0.6
81.03424	1.0
83.04988	1.3
85.02899	16.1
87.04503	0.3
93.74722	0.2
95.04956	0.2
97.02895	1.8
99.04426	0.4
99.90131	0.2
109.02858	1.2
111.00816	0.7
111.04424	0.9
121.02859	0.6
123.04438	0.3
127.03904	1.6
129.05473	4.7
137.02344	2.3
142.24312	0.2
145.04936	1.4
147.06531	2.2
149.02429	0.2
153.01799	3.2
161.05963	0.3
163.03951	0.3
163.05992	0.3
165.01845	1.8
166.02531	0.3
183.02864	0.6
187.03928	0.2
201.05493	1.0
229.04941	3.6
247.05977	0.9
255.08575	0.3
257.04431	2.2
274.04684	0.6
278.88510	0.2
282.49765	0.2
285.04001	1.5
288.29889	0.2
303.04959	100.0
304.05286	3.5
308.08987	0.3
315.04941	0.5
345.05997	0.8
369.06149	0.3
465.10236	1.4
656.49426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47191	0.8
67.05482	1.0
69.83069	0.9
70.01672	2.4
77.86910	0.9
85.31175	0.9
119.75913	0.8
175.03651	13.8
188.09245	0.9
202.06136	1.3
205.04774	3.9
219.06384	2.0
380.12192	1.6
385.12579	4.6
390.01498	0.9
393.13113	5.1
399.14172	6.1
618.97443	0.9
773.27661	100.0
774.28101	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	773.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95287	0.7
69.03471	0.7
70.93034	1.0
78.68323	0.6
93.84901	0.6
98.22971	1.1
130.42586	0.6
130.88362	0.7
137.06029	1.3
151.03920	0.7
159.04182	0.8
167.07159	0.9
175.03653	27.9
334.12909	0.6
382.69113	0.7
393.12805	3.2
403.77698	0.7
404.29166	0.7
407.14566	1.1
576.19232	1.8
577.20831	1.1
719.79962	0.8
773.27667	100.0
774.28052	8.7
774.49005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
55.05513	1.9
57.03426	1.6
61.02920	0.6
64.86753	0.4
67.05497	6.2
68.05831	0.4
69.03425	0.6
69.07059	2.3
71.05000	0.7
71.42113	0.5
73.02933	0.5
75.01968	0.4
79.05488	5.1
80.05837	0.6
80.75514	0.4
81.03425	1.2
81.07050	6.9
82.07357	0.6
83.04956	0.8
83.08627	1.0
85.02908	1.0
86.09690	0.5
89.41658	0.4
91.05470	3.9
92.05799	0.8
93.06505	0.5
93.07037	3.5
95.04951	1.8
95.08600	2.7
97.02895	0.4
97.06525	0.5
105.07020	3.2
107.04969	0.5
107.08607	2.9
109.06522	1.1
109.10168	1.5
111.08101	0.4
117.07008	1.4
119.08569	2.3
120.08890	0.6
121.10139	1.8
123.08041	0.6
123.11707	0.7
125.09604	0.4
129.05486	0.6
129.07018	0.8
131.08548	1.9
133.10110	2.6
134.10452	0.7
135.11723	1.0
143.66078	0.4
145.10130	0.6
147.11716	1.0
149.09601	0.6
149.13260	0.7
157.10289	0.5
159.11716	1.1
160.12016	0.5
163.11124	0.6
171.11703	0.6
184.07364	1.3
256.12592	0.4
269.17542	1.6
270.17947	0.7
275.20065	1.2
276.20615	0.9
294.85080	0.4
299.14951	1.3
301.19971	0.9
302.20551	0.6
331.16110	0.7
335.25845	1.7
349.23911	0.8
350.24124	0.6
399.27402	0.5
465.21378	0.7
481.18594	0.5
517.35321	0.8
518.35797	0.7
543.36682	1.2
544.37274	3.3
549.25049	0.9
559.35999	0.4
575.39404	0.5
576.39838	1.1
722.45428	0.5
755.39905	0.6
773.38654	100.0
774.38934	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	773.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05503	5.2
55.89673	0.4
56.90494	0.4
57.03435	4.1
57.07065	0.4
59.74747	0.4
61.02915	4.1
65.03927	0.5
67.05495	12.1
68.05831	0.8
69.03418	3.1
69.07062	3.8
70.07392	0.4
71.01324	0.4
71.04987	1.1
72.83803	0.4
73.02903	2.5
75.57896	0.4
79.05486	10.3
80.05829	0.9
81.03408	6.8
81.03844	0.7
81.07047	10.8
81.07504	0.8
82.07381	0.9
82.62058	0.4
83.04966	3.4
83.08621	3.5
84.05317	0.4
85.02896	5.2
85.06539	1.8
86.09724	1.0
87.04446	0.7
91.03957	2.0
91.05471	11.7
91.06042	0.6
92.05780	1.0
93.07033	9.3
94.07348	0.6
95.04961	7.4
95.08595	4.6
96.08905	0.6
97.02900	3.3
97.06523	1.8
97.10170	1.5
99.04454	0.5
99.08091	0.5
101.02376	0.9
105.04523	0.9
105.07019	7.7
106.07379	0.7
107.04968	2.9
107.08575	5.2
108.05259	0.4
108.08926	0.6
109.02890	0.6
109.06516	2.9
109.10135	2.4
111.04503	0.5
111.08072	1.0
113.05986	4.3
115.05428	0.8
117.07028	2.9
119.08563	5.7
120.08893	1.1
121.06505	1.1
121.10155	2.3
123.08046	1.1
125.00034	0.9
125.09634	1.6
127.03924	1.2
128.06241	0.7
129.06993	2.7
131.08553	3.4
133.06485	1.0
133.10123	3.8
134.10469	0.6
135.08022	2.7
135.11699	1.5
136.08376	0.4
143.08533	1.9
145.06537	0.6
145.10097	3.0
146.10495	0.5
147.08012	0.9
147.11670	3.6
148.11929	0.4
149.09637	1.0
149.13316	0.6
151.11185	1.0
157.10149	1.5
159.11710	1.0
161.09644	0.7
161.13255	1.4
163.11214	1.4
165.09126	0.5
171.11722	1.8
173.09741	0.6
173.13298	0.6
175.11169	1.0
177.12761	0.5
181.12219	0.4
184.07295	4.3
185.13226	0.7
189.12766	0.8
193.12221	2.7
194.12589	0.9
211.13242	2.9
212.13628	0.9
227.12831	0.9
243.08359	2.6
247.13139	1.4
253.14319	1.0
254.14719	0.5
259.20673	0.7
267.06332	0.5
267.16025	1.7
268.16309	0.7
269.17557	1.0
273.18530	1.0
274.18985	0.8
275.20078	1.3
276.20401	0.8
283.15475	1.6
284.15860	0.6
285.16934	2.5
286.17422	0.6
291.19522	3.0
292.19992	1.8
301.16492	0.5
331.18753	4.4
333.24258	0.6
348.22708	0.5
349.23853	0.7
350.20029	0.5
365.23264	1.7
366.23581	1.5
387.21484	0.6
465.20932	8.4
466.21320	0.6
511.36740	0.4
540.34290	0.5
543.36707	0.5
544.37219	0.6
549.26685	5.7
553.35034	0.4
557.34766	1.2
558.34894	3.0
559.35950	0.6
575.35974	1.7
576.35773	4.2
619.62994	0.4
773.40668	100.0
774.40979	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	773.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01104	0.6
55.05506	2.3
57.03432	2.4
57.07053	0.6
61.02919	6.9
62.13417	0.5
66.26119	0.8
67.05496	8.3
69.03423	4.9
69.07071	2.2
71.04997	0.9
73.02910	5.2
79.05488	8.1
80.05815	0.7
81.03417	3.7
81.07045	8.0
83.05002	1.6
83.08627	1.7
85.02885	4.5
87.04458	1.1
91.03934	3.8
91.05471	8.5
93.07030	6.4
93.87742	0.6
95.04959	3.4
95.08596	4.9
97.02891	5.8
97.06532	0.8
99.04452	1.1
101.02406	1.9
103.03950	0.7
105.04507	1.0
105.07007	6.8
106.07344	0.9
107.04947	1.5
107.08584	3.5
109.02856	0.9
109.06521	1.0
109.10155	1.7
114.61105	0.6
117.07000	1.6
119.08578	3.9
121.10181	1.2
127.03895	1.4
129.07021	2.2
131.08577	1.4
133.10129	3.6
135.08052	1.0
135.11708	1.0
143.08578	1.8
145.10179	1.1
147.11700	3.4
149.09741	1.0
149.13258	1.1
151.11182	0.7
159.11684	1.0
161.09587	1.1
161.13304	1.7
171.11638	1.1
175.11191	1.1
185.04210	1.2
193.12268	1.1
243.08414	2.8
247.13165	2.0
254.11127	0.7
289.02570	0.7
299.15097	0.8
303.16043	0.7
313.09259	0.7
313.17731	1.0
331.18872	2.7
372.16760	0.8
451.19406	1.1
465.20947	12.1
531.25665	3.4
537.22699	1.2
549.26581	3.5
675.33575	3.3
704.32819	1.0
755.39618	10.8
773.40692	100.0
774.41101	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	773.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.05512	4.5
57.03436	2.8
61.02923	4.5
65.03931	0.6
67.05498	9.9
68.05857	0.7
69.03429	3.6
69.07065	4.4
71.01375	0.7
71.04996	1.1
71.57710	0.5
73.02917	3.1
79.05489	9.3
80.05809	0.5
81.03416	4.0
81.07052	8.0
83.05003	1.9
83.08595	2.3
85.02906	4.1
85.06502	0.5
86.09706	0.4
91.03957	2.5
91.05480	7.6
92.05839	0.5
93.07043	8.6
94.07376	0.7
95.04961	4.4
95.08608	5.3
97.02882	5.0
97.06557	1.0
97.10184	2.4
99.04465	0.8
101.02403	1.3
102.78189	0.4
105.04486	0.8
105.07021	5.7
106.07358	0.7
107.04999	1.3
107.08582	4.1
109.02878	1.2
109.06533	1.6
109.10179	1.9
117.07043	1.5
119.08566	4.9
121.06509	0.6
121.10160	1.8
123.08127	1.1
125.09683	1.4
127.03938	1.0
129.05516	0.5
129.07033	2.2
131.08603	1.8
133.10129	2.9
134.10519	0.5
135.08095	0.6
135.11690	1.1
137.09631	1.0
143.08537	1.1
145.10135	1.8
147.08096	0.8
147.11696	4.7
157.96033	0.5
159.11780	0.7
161.09537	0.6
161.13284	1.3
163.11194	1.2
171.11736	1.5
175.11295	0.6
184.07382	1.4
185.04333	0.7
193.12201	0.6
203.05345	0.7
208.75198	0.5
223.13383	1.3
240.24075	0.5
243.08391	4.2
247.12991	1.0
275.20096	1.2
281.17688	0.7
291.19678	1.0
301.16663	0.7
303.15704	0.5
316.65497	0.5
330.34753	0.5
331.18845	2.0
465.20953	13.0
475.31006	0.6
476.30853	0.6
549.26837	3.4
576.36285	0.8
773.40692	100.0
774.41064	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29578	2.6
55.01872	9.7
55.05508	34.3
57.03435	27.5
61.02923	4.4
65.03928	3.7
67.05503	85.9
69.03429	11.0
69.07063	41.3
71.01363	4.0
71.04988	11.0
73.02926	5.1
73.06565	3.0
77.58984	3.0
79.05486	84.7
81.03413	86.2
81.07053	100.0
83.04971	28.4
83.08620	42.3
85.02902	35.3
85.06529	7.3
91.05470	90.3
91.06043	3.5
93.07038	72.2
95.04963	41.7
95.08596	41.3
97.02892	9.3
97.06522	26.9
97.10168	14.1
98.22713	9.0
99.04465	4.4
103.05484	3.4
105.04532	5.0
105.07021	63.5
107.04955	19.0
107.08585	38.3
109.06519	9.7
109.10160	12.1
111.04430	2.9
111.08048	21.4
113.05999	5.0
115.05439	4.1
117.07014	16.4
119.04913	3.9
119.08573	46.4
121.06532	8.5
121.10152	25.0
123.04492	3.2
123.08037	6.8
123.11687	6.8
125.09612	11.6
129.07013	19.8
131.08577	31.4
133.06471	7.0
133.10129	38.4
135.08107	5.0
135.11681	15.3
137.09598	9.4
143.08572	5.2
144.12936	3.7
145.10101	18.3
147.08090	6.3
147.11676	33.8
149.09572	19.9
149.13235	12.1
151.11133	3.9
157.10115	23.3
159.11678	13.2
163.11130	7.7
165.12775	4.1
171.11719	4.3
173.13261	8.0
175.11238	23.5
177.12717	6.4
189.11154	5.1
193.12231	58.4
194.12622	3.8
195.13718	3.8
211.13266	96.4
227.12746	15.9
229.19508	5.2
255.15865	12.9
257.18967	8.7
267.15881	41.8
269.17484	35.2
275.20032	37.8
285.16956	97.9
293.20959	3.7
331.22357	3.7
349.23679	41.7
369.24023	3.3
413.21753	3.3
436.07013	2.9
439.26663	3.7
447.27206	11.9
461.28848	26.7
465.28348	21.9
479.29984	80.0
480.30490	4.3
541.35516	14.7
551.21185	3.5
559.36212	45.6
560.35852	3.9
568.76483	3.5
577.37689	4.0
583.61603	3.4
623.33545	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.1
55.05506	32.7
57.03428	26.4
57.07046	2.9
61.02938	5.1
65.03932	5.1
67.05496	77.9
69.03423	14.3
69.07059	31.8
69.80870	4.6
69.81232	4.4
71.04984	11.3
73.02927	2.8
74.46947	1.9
77.03949	2.3
79.05487	76.8
81.03410	80.2
81.07048	100.0
83.04981	27.7
83.08612	27.0
85.02898	30.1
85.06524	4.7
91.05472	74.5
93.07034	68.2
95.04958	44.0
95.05526	3.2
95.08589	32.8
97.02884	7.1
97.06510	15.6
97.10164	8.6
98.23380	2.8
99.08067	3.9
103.05499	2.2
105.07020	54.1
107.04943	17.4
107.08584	38.5
109.06509	9.3
109.10125	11.7
111.04399	4.2
111.08067	14.4
113.05975	3.3
115.05415	2.4
117.07000	17.0
119.08575	38.0
121.06511	5.5
121.10129	22.6
123.08024	5.1
123.11686	3.3
125.09635	5.8
129.06996	17.6
131.08557	28.8
133.06496	4.8
133.10112	30.0
135.08083	4.0
135.11696	11.0
137.09566	3.7
143.08543	4.3
145.10080	12.0
147.08044	3.7
147.11644	21.6
149.09599	14.7
149.13251	9.7
157.10104	20.5
159.11670	11.3
161.13170	2.7
163.11174	9.4
165.12781	2.6
165.60356	2.2
173.13202	4.6
175.11179	16.3
177.11227	2.4
177.12743	4.3
185.13202	2.8
189.11186	2.6
193.12225	48.5
195.13800	4.5
197.13426	2.5
201.12616	2.7
211.13278	51.9
227.12617	2.6
236.52783	2.0
251.84218	2.2
255.15858	9.1
255.22252	2.2
257.19064	5.2
267.15875	29.9
269.17422	45.1
275.19955	19.0
285.16937	54.3
285.19949	3.8
286.17224	3.5
347.83289	2.5
349.23581	14.7
367.24677	2.5
378.39636	2.2
395.24533	2.2
447.27258	8.2
461.28973	30.5
465.28281	17.2
479.29993	76.9
480.30023	6.8
541.35187	8.4
559.36261	20.8
577.37427	2.9
623.34827	2.6
769.81055	2.5
775.39087	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	774.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.7
55.05507	40.4
57.03432	23.5
61.02918	7.0
65.03934	4.6
67.05500	81.4
69.03429	13.5
69.06715	2.3
69.07068	31.0
69.98832	1.9
71.04996	7.8
73.02914	5.1
77.03925	3.2
79.05486	82.0
81.03006	1.9
81.03410	71.7
81.07050	79.5
83.04978	24.2
83.08615	38.2
85.02896	36.1
85.06552	3.6
91.05473	100.0
93.07040	69.8
95.04962	45.2
95.08593	38.4
95.09135	3.2
97.02892	11.0
97.06500	12.9
97.10172	8.9
98.23489	4.7
99.08080	5.0
100.85663	2.3
103.03910	2.1
103.05490	2.8
105.04508	5.7
105.07018	78.4
106.07284	3.1
107.04911	14.2
107.08589	37.3
109.06509	12.3
109.10151	17.3
111.04430	3.4
111.08071	15.6
113.05981	4.0
115.05486	2.9
117.07003	23.1
119.08575	71.1
120.08915	2.1
121.06502	6.1
121.10137	23.0
123.08067	8.7
123.11711	4.6
125.09657	8.2
127.03878	4.9
128.06276	4.7
129.05479	6.8
129.06984	23.4
131.08563	37.9
133.06517	2.9
133.10123	54.4
135.08029	4.4
135.11682	17.7
137.09589	4.8
142.07733	5.7
143.08528	13.5
145.10115	24.8
147.08008	5.1
147.11685	39.1
149.09616	16.3
149.13271	17.6
151.11166	3.6
155.08563	3.5
157.10114	28.3
159.11691	18.5
161.09637	2.7
161.13263	17.0
163.11148	7.7
165.09073	2.4
165.12735	3.8
169.10120	5.1
171.11627	11.6
173.04578	2.6
173.13306	7.2
175.11172	22.2
175.14871	7.1
177.12715	4.5
183.11633	3.0
185.13275	5.5
189.11185	4.6
189.12790	2.7
190.43031	2.2
193.12213	63.0
195.13651	4.4
199.14856	5.0
202.78461	2.1
209.11540	2.3
211.13255	64.1
212.13634	3.7
213.16518	3.4
231.21042	3.6
239.17793	3.1
241.19498	19.4
257.18976	6.7
259.20532	36.3
267.15909	26.5
269.17404	17.6
275.19983	15.1
285.16949	60.5
291.19281	2.7
293.20856	3.1
301.16382	7.6
315.23093	3.2
331.22946	2.7
333.24234	30.8
346.95737	2.1
349.23700	9.5
433.30899	4.4
455.48495	2.4
461.28763	7.6
465.28003	2.4
469.33228	3.1
479.29996	22.4
525.36017	12.8
543.36755	29.5
544.36633	2.6
559.36182	8.0
577.36609	9.0
606.13953	2.4
775.41425	11.8
779.45239	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	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.2
62.06326	3.6
65.18384	3.3
67.05503	8.7
69.07069	14.9
69.38099	6.7
69.38512	15.1
71.04992	17.8
79.05475	7.2
81.07045	19.2
83.04984	5.4
85.02898	40.0
91.05476	10.4
93.07051	17.6
95.08601	22.4
97.02921	5.0
98.23170	15.7
105.07017	8.3
107.08584	15.7
109.10173	51.0
111.04433	3.7
119.08597	6.0
121.10152	16.1
123.08031	8.2
127.03902	4.3
127.11183	10.7
129.05455	7.1
131.04883	10.4
131.08504	3.7
133.10132	3.9
135.08173	3.8
137.05994	8.8
143.08566	9.0
145.10101	7.0
147.11635	4.6
153.01819	19.1
157.10104	7.8
159.11710	8.3
161.13258	8.8
162.20232	3.5
163.06134	3.9
167.07063	6.2
171.11714	9.1
175.03651	34.4
179.14304	6.2
179.65439	3.6
185.13283	4.8
199.14926	5.2
217.15833	6.4
233.15388	5.3
251.17990	11.5
269.18909	5.9
287.20071	8.2
357.24081	5.2
361.28998	12.0
379.29880	10.9
395.29327	17.2
395.34262	3.9
399.14041	5.2
403.49341	4.2
413.30466	97.9
413.35953	5.7
414.30750	16.0
431.31497	27.1
449.32431	6.2
541.35107	7.2
758.59979	4.2
774.28070	37.0
775.29236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.2
62.06326	3.6
65.18384	3.3
67.05503	8.7
69.07069	14.9
69.38099	6.7
69.38512	15.1
71.04992	17.8
79.05475	7.2
81.07045	19.2
83.04984	5.4
85.02898	40.0
91.05476	10.4
93.07051	17.6
95.08601	22.4
97.02921	5.0
98.23170	15.7
105.07017	8.3
107.08584	15.7
109.10173	51.0
111.04433	3.7
119.08597	6.0
121.10152	16.1
123.08031	8.2
127.03902	4.3
127.11183	10.7
129.05455	7.1
131.04883	10.4
131.08504	3.7
133.10132	3.9
135.08173	3.8
137.05994	8.8
143.08566	9.0
145.10101	7.0
147.11635	4.6
153.01819	19.1
157.10104	7.8
159.11710	8.3
161.13258	8.8
162.20232	3.5
163.06134	3.9
167.07063	6.2
171.11714	9.1
175.03651	34.4
179.14304	6.2
179.65439	3.6
185.13283	4.8
199.14926	5.2
217.15833	6.4
233.15388	5.3
251.17990	11.5
269.18909	5.9
287.20071	8.2
357.24081	5.2
361.28998	12.0
379.29880	10.9
395.29327	17.2
395.34262	3.9
399.14041	5.2
403.49341	4.2
413.30466	97.9
413.35953	5.7
414.30750	16.0
431.31497	27.1
449.32431	6.2
541.35107	7.2
758.59979	4.2
774.28070	37.0
775.29236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	21.8
57.03430	21.8
63.24931	2.8
63.59217	3.1
64.70834	3.4
67.05498	68.7
69.03440	4.4
69.07052	18.8
69.43688	3.1
69.44006	16.9
71.04992	6.9
76.80788	3.2
79.05483	54.4
81.03413	100.0
81.07047	70.9
83.04974	4.7
83.08611	22.5
85.06530	5.1
91.02470	3.2
91.05461	42.9
93.07041	57.4
95.04958	33.6
95.08594	44.0
97.06527	5.1
97.10148	3.7
98.22906	12.1
98.23488	5.0
105.07023	30.3
107.04941	9.8
107.08589	29.9
109.06477	5.4
109.10145	15.7
111.08048	10.9
117.07035	9.5
119.08572	33.0
121.10145	20.9
123.08120	3.7
123.11696	6.7
129.06999	10.8
130.29855	3.4
131.08556	28.6
133.10098	11.5
135.11653	12.9
142.07718	4.8
145.06374	4.8
145.10081	12.6
146.05058	3.9
147.08020	7.2
147.11682	13.4
149.09607	7.3
149.13251	10.5
157.10136	15.2
159.11682	7.7
161.13203	5.7
171.11792	3.7
173.13283	11.7
175.11191	11.2
175.14787	4.0
187.14850	3.9
189.11118	3.7
193.12190	23.8
213.39314	3.9
227.12769	4.4
243.21019	6.6
261.22141	13.6
267.15872	84.6
268.16388	4.0
275.21674	3.6
289.37311	4.1
335.25766	75.4
435.32538	7.4
453.33530	9.9
515.01837	4.5
527.37262	57.1
545.38330	34.2
692.74634	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.1
55.05506	32.5
55.98518	1.6
57.03433	17.6
57.07047	6.2
59.04984	1.8
61.02916	5.9
61.14670	1.8
65.03941	3.3
67.05499	92.2
69.03419	10.0
69.07068	22.4
69.74594	5.5
71.04989	29.2
71.08614	3.6
72.16887	1.6
73.02893	3.3
74.39140	1.7
77.03931	3.2
78.48833	1.7
79.05487	66.4
81.03421	14.4
81.07049	100.0
82.07399	3.4
83.01327	3.8
83.04984	12.2
83.08614	20.4
84.45065	1.7
85.02896	7.8
85.06538	7.6
91.03957	1.9
91.05472	69.6
92.05786	2.2
93.07036	77.8
94.70127	1.6
95.04957	20.9
95.08592	39.1
97.02883	7.6
97.06528	12.3
97.10154	6.4
99.04423	4.5
99.08087	6.4
103.05451	4.1
105.04497	4.6
105.07021	62.1
106.07307	1.9
107.04934	5.8
107.07918	3.3
107.08583	38.4
108.45082	1.7
109.02854	2.3
109.06511	8.8
109.10156	18.7
111.04392	2.8
111.08051	5.8
112.07617	2.2
115.05424	2.9
117.07017	21.1
119.08568	44.9
121.06509	5.1
121.10126	24.1
121.68504	1.9
123.08058	6.6
123.11726	7.1
124.99993	1.9
125.09628	6.7
127.03899	3.7
128.06255	2.9
129.05484	3.1
129.07011	9.4
130.07710	1.8
131.08563	32.1
133.10124	39.8
135.08067	3.0
135.11659	22.0
137.09561	2.0
139.11093	1.8
143.08575	11.4
145.10127	32.0
147.11665	20.3
149.09581	4.4
149.13232	13.9
151.11166	6.8
155.08533	4.8
157.10135	12.1
159.11690	22.3
161.09601	2.9
161.13263	11.3
163.11188	11.3
163.14876	3.1
165.12659	2.3
169.10188	2.6
171.11696	11.1
173.13213	10.7
175.11195	3.3
175.14819	3.3
177.12747	5.3
179.14268	2.3
181.12196	2.5
183.11693	4.8
183.13881	2.7
184.07333	3.8
185.13274	7.6
187.14781	4.0
189.12630	1.7
193.12128	2.9
195.11763	2.3
195.13809	4.8
199.14922	3.2
205.16100	1.7
209.11545	1.8
209.13313	2.0
211.13063	2.0
225.14932	3.1
227.12790	6.7
239.20276	1.7
241.19528	8.8
243.16003	3.9
257.17334	6.1
259.20538	25.1
260.20795	1.8
261.22104	2.3
267.15820	4.7
269.17303	10.0
277.21649	3.1
283.15390	22.0
285.16827	2.6
287.20755	1.7
299.23734	1.9
301.16937	2.6
301.20029	16.8
315.23181	5.4
316.53778	1.7
327.44144	1.9
333.24112	22.4
335.25815	9.7
351.25632	2.6
351.56229	1.6
409.30917	3.9
435.32516	4.2
466.21365	2.7
477.28476	13.4
483.34641	5.0
492.16559	1.9
501.35709	52.0
502.35992	4.1
503.37045	3.4
509.36215	3.2
525.35217	3.8
527.37250	32.7
533.38409	3.1
543.36639	18.2
545.37988	6.8
559.40527	13.7
774.41113	19.3
775.40039	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	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	23.1
55.90163	5.0
57.03429	15.4
67.05495	66.0
69.07055	18.2
69.39927	26.4
70.11668	6.3
73.06598	5.9
75.62703	5.9
79.05489	44.6
81.03409	88.0
81.07050	58.4
83.05025	6.1
83.08621	21.4
91.05469	40.6
93.07030	54.5
95.04950	37.9
95.08588	45.8
96.72094	7.2
97.06533	7.3
103.16921	6.4
105.07038	36.7
107.08566	25.7
109.06469	7.3
109.10137	22.0
111.08096	8.4
117.07021	6.1
119.08579	24.0
121.10083	28.9
129.07001	10.1
131.08566	19.3
133.06511	8.0
133.10112	12.7
135.11722	17.2
135.58867	6.5
136.05345	5.4
145.10040	7.3
147.11705	10.5
149.13234	9.8
157.10124	17.5
159.11714	9.5
161.13240	6.5
163.14830	7.1
169.10039	5.5
175.11246	12.5
193.12262	22.0
193.29836	5.9
227.12701	10.8
257.45346	6.2
261.22144	27.3
267.15884	89.9
311.09787	6.1
320.85849	5.7
329.52631	6.0
335.25778	100.0
453.33459	6.5
527.37219	67.2
539.89746	6.0
545.38361	41.8
546.00439	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	774.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16672	1.3
55.01862	3.1
55.05259	1.5
55.05506	22.3
57.03437	23.9
61.02907	1.5
65.03921	4.9
67.05499	73.8
67.05865	3.5
69.03403	4.4
69.07060	18.5
71.04974	5.3
77.03915	2.7
79.05487	56.5
79.62984	1.2
80.05827	1.4
81.03412	100.0
81.07052	67.7
81.07466	1.2
83.04975	8.7
83.08611	23.5
85.02879	1.5
85.06519	2.7
91.05474	36.4
93.07040	55.7
95.04965	36.8
95.05512	0.9
95.08598	47.1
97.02883	2.9
97.06509	6.1
97.10139	8.6
98.22717	4.8
105.04501	3.3
105.07021	29.5
107.04940	6.2
107.08591	29.5
108.17683	1.3
109.06533	6.7
109.10152	20.7
109.22725	1.4
111.08064	8.5
115.05430	2.5
117.07017	8.9
119.08570	28.6
121.06474	4.3
121.10129	26.4
123.08065	4.3
123.11702	8.9
125.09600	3.4
129.06996	13.0
131.07635	2.4
131.08557	24.6
133.06493	2.2
133.10123	15.2
135.08029	2.4
135.11693	13.2
136.82921	1.4
137.09647	2.9
142.07794	3.0
143.08589	2.8
145.10089	12.8
147.08017	4.5
147.11681	16.3
149.09694	7.6
149.10733	1.5
149.13214	6.9
153.12785	1.6
157.10112	12.0
159.11700	8.1
161.13225	6.0
163.11195	2.3
163.14810	5.2
173.11926	1.6
173.13243	6.7
175.11176	10.9
177.16365	1.6
185.13297	2.0
187.14835	4.0
189.11201	4.3
193.12241	22.9
211.13159	1.4
227.12715	5.5
235.13184	2.7
243.21060	4.0
249.14938	1.9
261.22092	21.6
267.15891	96.4
268.16235	3.8
273.14944	2.3
274.99503	1.5
301.25201	5.9
309.16742	2.0
317.24765	3.6
329.65271	1.5
335.25775	84.1
336.26089	5.7
421.25952	2.1
435.32611	3.9
449.28726	1.6
453.33554	6.8
471.34702	2.2
475.30365	1.8
502.40671	1.4
504.46399	1.5
527.37292	57.7
528.37396	3.8
545.38336	39.0
546.38397	2.9
559.39648	2.0
569.38074	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37720	1.3
69.38109	1.0
71.05011	0.7
82.64692	0.5
85.02923	0.9
108.18934	0.6
109.10181	0.6
120.25535	0.6
121.56682	0.6
131.04968	0.7
137.05997	1.3
137.62787	0.6
159.04161	0.6
167.29634	0.5
175.03654	27.1
176.04056	0.7
202.06018	0.8
219.06355	1.8
240.83926	0.6
325.10480	0.8
352.12741	0.7
364.12927	1.5
382.14063	1.0
385.12665	4.2
395.14648	3.5
399.14136	5.8
473.14484	0.8
539.40442	0.7
563.19507	0.6
577.20660	1.7
775.29242	100.0
776.29504	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54362	0.5
55.01864	1.6
55.05504	4.0
57.03429	3.0
61.02917	4.5
67.05492	4.5
69.03417	3.0
69.07065	1.5
69.75292	0.6
69.75620	1.4
73.02914	3.0
74.48852	0.5
79.05489	5.4
81.03410	3.6
81.07061	4.9
83.04976	1.6
83.08614	2.4
85.02896	5.5
86.09718	0.9
91.03960	2.1
91.05472	6.6
93.07030	4.2
95.04969	3.1
95.08633	1.6
97.02866	3.6
97.06541	0.9
97.09644	0.6
97.10158	2.6
97.60321	0.5
99.04445	0.6
101.02410	1.2
105.07036	3.9
106.07372	0.9
107.04981	0.7
107.08591	2.7
109.02919	0.6
109.10153	1.0
117.07043	2.2
119.08572	6.3
120.08885	0.8
121.06526	1.4
121.10169	1.7
125.00003	0.7
125.09648	2.0
127.03915	1.1
129.07059	1.4
131.08582	1.8
133.10170	1.7
135.08076	1.1
135.11746	0.7
137.09660	0.6
142.07802	0.5
145.06493	1.0
145.10085	1.0
147.08029	0.8
147.11723	1.5
149.09642	0.9
157.10185	1.5
159.08064	0.7
159.11769	0.7
163.11121	0.7
175.11337	0.6
184.07381	2.2
185.13373	0.7
189.11243	0.6
193.12311	1.5
211.13318	1.2
243.08401	2.7
267.15961	0.8
275.20108	0.7
285.16965	1.5
299.16376	0.8
310.94543	0.5
329.17203	7.2
349.23834	1.1
350.24207	1.2
385.19824	1.0
469.20218	5.1
547.25153	6.8
559.35834	0.7
560.36426	1.7
775.38635	100.0
776.38928	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	775.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
55.05516	4.7
57.03437	3.6
61.02923	6.7
65.03945	0.6
67.05500	10.8
69.03423	3.7
69.07062	3.6
69.20971	2.5
71.01326	1.0
71.05000	2.0
73.02920	3.6
79.05486	9.4
81.03410	5.2
81.07054	9.6
82.07375	0.8
83.04972	2.5
83.08630	2.2
85.02891	5.9
85.06538	1.1
86.09715	1.6
91.03955	2.8
91.05481	9.0
92.05795	0.6
93.07039	8.0
94.07378	1.2
95.04958	3.6
95.08588	4.3
97.02895	5.2
97.06541	2.3
97.07249	0.6
97.10165	1.2
99.04462	1.6
101.02381	2.0
105.07012	6.4
107.04987	1.8
107.08582	5.5
109.02874	1.3
109.06533	1.3
109.10169	2.6
110.10488	0.6
111.08079	1.1
117.07036	1.3
118.07388	0.6
119.08596	4.0
121.10161	2.6
123.08067	1.3
123.11700	0.6
125.00028	0.6
125.09604	0.6
127.03932	1.8
129.07005	2.0
131.08595	2.1
133.10107	4.8
135.08051	1.3
135.11696	2.2
137.09621	0.6
143.08571	0.8
145.10100	3.1
147.11644	3.2
149.09575	1.0
149.13303	1.1
151.11185	1.3
157.10141	0.9
158.10600	0.6
159.11723	1.0
161.13326	1.0
163.11227	1.8
171.11728	1.3
178.13173	0.5
184.07344	4.6
185.04305	0.6
193.12305	1.3
211.13338	1.6
212.13553	0.8
227.12830	0.7
231.83434	0.6
243.08339	3.7
249.11089	0.6
259.20593	0.6
269.17566	0.8
275.20038	0.8
281.17368	0.7
285.16913	0.7
286.17349	0.7
311.84390	0.6
331.18912	1.2
331.22702	0.7
333.24393	0.5
349.23550	0.7
439.19775	0.8
462.29037	0.6
465.21042	4.8
467.18866	7.6
544.36871	0.8
549.27069	2.6
551.28381	2.3
560.36206	0.8
577.36493	0.7
578.37335	0.6
757.37561	1.1
775.39789	100.0
776.39423	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	775.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05511	4.2
55.45847	0.4
57.03436	2.7
57.07067	0.5
59.05008	0.4
61.02923	5.1
67.05500	6.8
69.03436	4.0
69.07075	3.2
71.04998	1.3
71.17407	0.5
73.02917	4.0
79.05489	6.0
80.05833	0.6
81.03416	4.2
81.07054	5.6
83.04972	2.3
83.08633	1.8
85.02899	5.0
85.06539	0.4
86.09698	0.6
91.03959	2.3
91.05484	4.5
92.05825	0.5
93.07036	5.7
94.07380	0.6
95.04955	2.4
95.08595	2.5
97.02879	5.5
97.06528	1.2
97.10164	1.3
99.04462	1.1
101.02348	2.0
103.03952	0.4
105.07032	3.5
107.04957	1.3
107.08587	3.5
109.02865	0.7
109.06528	1.0
109.10159	1.8
113.44274	0.4
115.05430	0.5
117.07027	2.1
119.08582	3.0
121.10143	1.3
123.08081	1.1
125.09620	1.2
127.03901	1.4
129.05530	0.5
129.07022	0.9
131.08551	1.4
133.10149	1.5
135.11713	1.7
141.49330	0.3
143.08568	0.5
145.10115	1.9
147.11700	1.2
149.09608	0.6
157.10184	0.7
159.11699	0.6
163.11227	1.5
165.77074	0.4
184.07373	1.3
185.04222	0.7
193.12196	0.5
203.05283	0.6
223.13315	1.4
243.08368	3.3
249.11015	0.7
260.21033	0.5
267.15982	0.4
269.17545	0.5
291.19565	1.7
331.18884	1.6
465.20935	0.8
467.18896	7.6
544.37305	0.6
549.26672	5.0
550.27118	0.5
560.37531	0.5
624.41370	0.4
775.38745	100.0
776.38885	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	775.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
57.03441	1.1
67.05500	4.5
71.01336	0.6
79.05493	2.5
81.07060	3.5
83.08596	0.7
91.05486	2.1
93.07052	2.7
95.04935	0.7
95.08594	2.0
95.64157	0.6
97.10153	0.9
98.23496	1.4
105.07021	1.7
107.08611	1.9
109.10165	2.7
117.07043	0.7
121.10136	1.5
131.08548	0.7
133.10112	1.5
184.07364	1.1
229.14397	1.4
261.22122	0.8
271.25092	0.6
300.15021	0.9
312.68161	0.7
335.25687	3.5
344.67514	0.7
448.33340	0.7
489.35199	0.9
775.40192	100.0
776.40509	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	775.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05515	3.3
57.03441	2.8
59.05000	1.6
61.02919	4.9
67.05499	6.5
69.03437	3.4
69.07066	1.6
71.04986	4.0
73.02917	4.7
76.27516	0.7
79.05486	5.4
81.03410	8.3
81.07045	7.9
81.07412	0.8
82.07379	0.8
83.04977	2.2
83.08633	2.5
85.02885	5.7
86.09730	2.8
91.03981	2.2
91.05470	7.1
93.07029	4.1
95.04943	5.2
95.08607	3.7
97.02887	4.8
97.06543	1.4
97.10176	1.0
99.04476	1.1
101.02390	1.7
105.07022	4.3
107.08617	2.8
109.02911	1.0
109.06548	1.7
109.10184	2.6
111.08107	1.3
119.08574	4.6
121.10193	3.1
123.08160	0.8
125.00020	1.6
127.03933	1.1
129.07030	1.1
129.44603	0.9
131.08563	3.5
133.10170	3.0
134.19189	0.8
145.10202	1.0
147.08092	0.9
147.11671	5.1
149.09688	2.5
157.10220	2.9
165.12743	1.0
175.11272	2.4
184.07294	9.1
193.12241	4.9
194.12595	0.8
203.05283	1.0
211.13356	1.9
213.80910	0.7
225.14809	0.8
243.08315	4.5
265.14316	1.8
267.16040	2.5
279.12222	1.0
283.15125	5.1
285.17078	1.1
286.17303	0.9
316.05325	0.8
339.18094	1.0
439.20236	0.9
439.26990	1.7
447.03647	0.9
483.22333	2.1
484.22531	1.1
497.20227	2.6
501.22949	16.1
515.24542	8.0
559.36334	1.2
655.32111	0.9
671.32416	2.0
697.33984	0.8
699.35895	1.2
715.35760	1.7
743.34802	8.6
757.36084	6.4
775.40692	100.0
776.41058	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	775.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.05505	6.7
57.03437	4.0
57.07066	0.9
59.05002	0.6
60.23924	0.5
61.02929	5.4
65.03926	0.7
67.05496	16.2
68.05820	1.0
69.03422	3.5
69.07064	6.3
71.01350	0.8
71.04973	2.4
73.02901	4.6
74.81493	0.8
79.05039	1.0
79.05482	12.5
80.05820	1.4
81.03410	4.6
81.07053	16.9
82.07374	1.5
83.04974	2.0
83.08603	2.7
85.02898	5.8
85.06506	0.8
87.04492	1.1
91.03957	2.2
91.05468	10.6
92.05809	1.2
93.07030	11.5
94.07367	1.3
95.04968	4.2
95.08590	8.3
96.05262	0.7
97.02870	3.5
97.06516	2.8
97.10160	1.9
99.04449	1.2
99.08096	0.6
101.02345	1.6
105.04472	0.8
105.07025	6.2
106.07374	1.1
107.04923	1.3
107.08575	5.7
108.08920	1.3
109.02831	1.0
109.06509	0.8
109.10146	3.6
111.08052	0.9
117.07010	2.1
119.08569	4.6
121.06492	1.3
121.10120	4.4
122.10447	0.7
123.08094	1.2
123.11735	0.6
125.09621	0.7
127.03892	1.6
129.05455	1.2
129.07002	1.1
130.07709	0.6
131.08548	2.6
132.08859	0.7
133.10103	5.4
135.11646	3.0
137.09584	1.5
145.04973	0.7
145.10081	2.6
147.11667	2.8
149.09631	1.4
149.13274	1.8
151.11176	0.9
159.11653	1.7
161.13263	0.7
163.11153	1.2
171.11639	1.5
173.11693	1.1
185.04126	0.8
195.13780	1.2
200.44785	0.7
210.60258	0.6
227.12756	0.7
229.14214	1.2
243.08372	3.0
247.13005	1.1
255.15840	1.7
269.17429	3.6
270.17740	2.3
285.16891	0.7
287.18475	0.6
297.16907	0.8
301.08835	1.0
303.15604	0.7
333.20328	0.9
333.24591	0.6
352.90240	0.6
373.48975	0.6
389.22922	0.8
409.25858	0.9
423.27292	1.0
424.27576	1.2
449.29065	0.9
465.20929	4.5
481.20486	3.3
535.28314	1.4
551.28284	3.8
553.21783	0.7
673.24774	0.7
775.42554	100.0
776.42999	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	775.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.03429	1.6
61.02929	3.5
66.66110	0.9
67.05499	5.5
69.03432	2.4
69.07069	1.8
69.81070	2.8
69.81412	1.4
73.02898	2.5
79.05477	7.3
81.03411	2.6
81.07040	4.9
83.04990	1.2
85.02911	4.3
90.71928	1.0
91.03958	1.6
91.05453	5.9
93.07037	4.8
95.04991	2.7
95.08607	3.4
97.02908	2.9
101.02363	1.2
105.07039	3.6
107.08592	2.0
109.10159	1.9
119.08595	2.5
121.06439	1.0
121.10172	1.3
129.07018	1.6
131.08618	1.1
145.10075	1.3
145.96101	1.0
147.11688	2.5
151.11235	1.0
156.51637	0.9
171.11685	1.7
243.08450	3.2
303.15607	1.9
313.33920	1.1
333.20441	3.1
409.97049	1.2
465.20810	10.7
551.28394	3.9
775.42285	100.0
776.42938	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	775.424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
55.05383	2.4
55.05671	1.3
55.38593	0.4
57.03309	1.5
57.03612	1.0
61.02784	3.6
61.03135	1.6
61.45664	0.5
65.03839	0.5
67.05350	7.2
67.05758	2.6
68.05711	0.5
69.03270	2.5
69.03694	1.0
69.06907	1.6
69.19100	2.8
71.01241	0.9
71.04862	0.5
71.05585	0.4
73.02758	2.3
73.03197	0.6
77.73726	0.4
79.05328	8.0
79.05846	2.2
80.05675	0.6
81.03239	2.3
81.03777	0.9
81.06881	7.1
81.07417	1.7
83.04824	1.3
83.05273	0.6
83.08440	1.5
85.02732	4.2
85.03274	0.8
85.06389	0.5
91.03776	3.2
91.05298	8.2
91.05931	1.5
93.06857	8.4
93.07510	1.6
95.04782	3.0
95.08418	4.5
95.09070	0.7
97.02699	4.2
97.03385	0.9
97.06377	0.7
97.10030	0.7
98.23424	0.9
99.04316	0.9
101.02203	1.9
103.03767	0.6
105.04330	0.8
105.06828	4.9
106.07180	0.5
107.04811	0.9
107.08391	3.4
109.02713	1.2
109.06343	1.0
109.09943	2.3
110.10333	0.5
115.03774	0.6
117.06818	1.3
119.08356	3.5
121.09933	1.5
123.07937	0.7
127.03694	2.5
129.06773	2.0
131.08415	0.9
131.17471	0.4
133.09897	2.5
135.07843	0.7
135.11525	0.9
137.09373	0.5
138.13837	0.5
143.08377	1.2
145.04739	0.7
145.09866	1.8
145.10878	0.5
147.11453	4.1
149.12976	0.6
154.20247	0.5
158.45494	0.5
159.11479	0.5
161.12994	2.1
163.10965	0.9
171.11423	3.1
172.89111	0.5
184.07132	1.0
185.04041	1.1
189.12483	1.2
203.05151	0.5
207.13535	1.5
229.14166	0.8
243.08388	3.8
247.13023	5.3
273.14468	0.9
281.17218	1.2
287.16055	0.8
299.14682	1.5
301.08661	1.1
303.15668	1.1
315.10486	0.4
335.25626	3.4
336.25931	0.9
385.18283	0.5
453.20645	0.7
465.20935	31.9
466.20963	2.8
481.19791	0.6
495.22101	0.8
509.28656	0.9
527.29797	1.0
533.27350	2.1
537.22308	1.0
551.28448	2.5
555.29303	1.0
561.37488	0.5
607.30902	0.7
659.34058	2.2
661.36127	1.1
677.35150	3.8
689.34967	100.0
690.35175	9.2
729.37830	1.6
757.41010	9.9
758.41119	1.1
775.41833	28.9
776.42291	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	775.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90630	3.7
67.05495	8.8
69.03451	3.7
69.86523	4.0
71.15422	3.6
71.43318	3.9
73.02927	5.3
76.94456	3.6
79.05489	11.7
81.07041	10.2
91.05466	5.7
93.07018	6.9
95.04950	4.9
95.08566	4.3
101.60065	4.0
102.42612	3.8
105.07023	7.0
109.10183	5.1
118.18316	4.3
133.74188	3.9
227.94159	3.7
236.59334	3.8
465.20953	9.4
516.52441	4.2
551.28241	6.6
619.13342	5.5
775.42285	100.0
776.42084	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	775.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05505	3.4
57.03435	2.3
57.07097	0.5
61.02921	5.4
67.05495	8.5
69.03433	3.2
69.07072	2.9
71.04990	1.2
73.02905	3.5
79.05483	9.2
81.03406	3.5
81.07051	9.6
81.07491	0.5
82.07377	0.7
83.04996	1.4
83.08631	1.2
84.20297	0.5
85.02891	5.3
89.38030	0.5
91.03951	3.3
91.05471	6.1
93.07040	9.1
95.04972	4.0
95.08604	4.3
97.02895	4.7
97.06532	1.3
97.10190	0.6
97.67151	0.6
98.23438	1.4
99.04453	1.3
99.34606	0.6
101.02419	1.6
105.07006	4.2
107.04982	0.9
107.08580	3.7
109.02905	1.2
109.06521	1.0
109.10175	1.5
117.07053	1.6
119.08562	4.0
121.10177	1.0
123.08066	1.0
127.03955	1.6
129.07057	1.3
131.08575	1.6
133.10146	2.2
134.10501	0.5
135.11743	2.0
143.08643	0.7
145.10179	1.6
147.11684	2.9
149.09596	0.8
149.13268	1.0
159.11717	0.7
161.13255	1.2
163.11250	1.3
171.11763	2.1
184.07321	0.7
193.12357	0.8
203.05305	0.9
207.13666	0.6
243.08377	3.2
247.13240	1.5
269.17590	1.1
270.17813	0.6
303.15915	0.9
333.20459	1.3
342.47244	0.6
369.65912	0.7
439.19357	0.8
453.20950	1.3
465.20874	9.7
465.26819	0.6
551.28229	5.2
609.00299	0.6
677.34467	0.8
757.37830	1.3
775.42230	100.0
776.42603	10.2
786.82684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.6
57.03432	4.1
57.20078	1.3
58.00994	1.4
61.02907	1.5
68.57199	1.6
68.99783	2.1
69.03426	16.6
69.34339	1.9
69.34630	7.7
71.04987	2.1
72.83345	1.3
73.02905	8.7
77.03994	1.9
79.05475	4.0
81.03405	17.3
85.02901	36.3
85.03416	2.3
87.00822	12.5
91.05482	9.2
94.04147	1.6
95.04953	5.3
97.02885	21.5
99.04420	7.0
101.02296	1.9
103.03952	3.0
103.05460	24.5
105.01868	9.3
105.07024	5.1
107.04951	17.3
109.02880	19.2
111.04427	2.7
115.03891	3.3
115.05474	3.9
117.06986	2.9
119.03421	1.4
119.04944	9.0
121.06483	4.7
122.03667	4.0
127.03905	25.2
129.01810	1.8
129.07010	3.8
131.04915	58.1
131.08530	2.8
133.02759	1.6
133.05049	1.4
133.06471	5.2
135.08051	5.7
137.05959	76.8
141.06996	1.7
144.05736	1.6
145.04971	10.9
145.06458	4.8
147.02875	3.4
147.04407	10.8
148.05179	2.8
149.05995	13.3
151.03830	3.2
151.07530	27.5
153.01842	5.3
157.06512	3.1
159.02861	5.3
159.04262	2.0
159.08057	1.4
160.05186	2.9
161.05969	45.6
161.09578	9.0
162.06683	4.7
163.07530	100.0
164.08006	1.9
165.09169	2.0
167.07178	1.6
169.04921	2.3
169.06425	3.2
173.06033	2.3
175.07535	21.8
177.05470	6.6
177.09091	27.0
179.07002	7.8
179.10651	7.7
181.04996	2.0
181.06668	1.8
181.08525	7.6
185.05933	1.4
187.07561	5.7
189.03941	7.0
189.05519	2.1
189.09102	27.0
191.07025	23.8
195.08060	4.1
195.10074	2.8
197.05975	3.2
199.07584	3.7
201.09079	2.6
203.07019	13.7
203.10681	3.1
205.08554	8.2
206.81198	1.4
207.10147	44.1
211.07532	3.1
215.06995	10.1
217.08641	5.9
219.10133	10.7
221.08005	1.8
221.11736	13.2
223.07486	2.7
225.09137	1.7
227.07063	3.0
227.10661	3.8
229.08548	9.0
231.04974	5.0
233.07932	7.4
239.06973	1.6
245.08157	1.8
247.09590	3.4
249.11287	2.6
253.08620	4.8
253.12054	2.6
255.10208	6.0
257.08084	7.4
265.08557	1.9
266.09296	2.4
269.08112	6.1
271.09668	3.0
273.11267	3.8
275.09097	4.4
281.11832	2.9
285.11093	5.0
287.09171	4.3
287.12778	11.1
289.10843	2.4
293.10275	4.5
297.11252	4.5
299.12695	3.1
311.12860	13.1
313.14264	10.0
315.12332	2.8
325.14401	2.9
328.06873	1.4
331.15350	61.6
332.15912	1.8
337.14392	1.5
341.13559	2.5
343.15359	15.1
355.15268	3.8
379.10159	7.9
391.10568	1.8
393.11844	2.6
402.80316	1.4
409.11215	2.5
421.16479	2.8
439.17947	1.8
451.17108	1.9
469.18433	3.5
601.45209	1.5
775.94855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
55.05500	14.7
56.05028	1.2
56.05848	0.7
57.03428	7.7
57.07058	1.8
59.04999	1.9
60.08157	6.2
61.02921	5.3
62.18110	0.7
65.03941	1.6
67.05499	64.7
68.05804	0.8
69.03426	6.9
69.07060	17.8
71.01338	0.8
71.04987	21.6
71.07368	3.2
73.02911	2.7
79.05486	30.3
81.03416	11.7
81.07048	40.2
83.04979	7.4
83.08614	7.5
85.02908	5.8
85.06526	4.2
86.09696	36.1
86.10128	0.7
88.12080	0.9
90.27332	0.7
91.03950	1.9
91.05469	30.9
91.06046	1.5
92.05781	1.0
93.07035	33.1
93.96713	0.8
94.07365	1.3
95.04950	10.1
95.08591	19.1
97.02877	5.7
97.06522	8.3
97.10143	4.4
98.98456	5.2
99.04449	2.4
99.08074	2.4
103.05437	0.8
104.10718	3.0
105.04512	1.8
105.07021	18.9
107.04944	4.2
107.08585	18.5
109.02841	1.1
109.06479	3.9
109.10144	34.5
110.10479	0.9
111.08064	3.7
115.05432	1.2
117.07021	7.7
119.08568	18.0
120.08927	1.1
121.06487	2.8
121.10133	9.6
123.04367	1.0
123.08031	2.4
123.11709	2.1
124.99985	22.9
125.09617	3.5
127.03889	2.4
128.06186	0.9
129.05424	0.9
129.06985	3.3
131.08554	10.4
131.80200	0.8
133.06462	1.4
133.10114	11.5
135.08034	2.3
135.11684	15.7
137.09602	8.2
141.06952	1.3
143.08521	1.9
145.10114	8.4
147.11638	6.4
149.09619	5.7
149.13248	3.5
151.11160	2.2
155.10651	1.7
157.10086	3.2
159.11713	6.3
161.09573	0.9
161.13245	2.3
163.11131	6.2
169.10106	1.4
169.12241	1.5
171.10245	0.8
171.11690	1.6
173.04488	1.2
173.09503	1.0
173.11723	4.1
173.13269	2.2
175.11176	1.5
177.12762	2.2
179.14253	2.2
181.12175	3.1
184.07323	100.0
185.07675	1.3
187.11142	0.9
187.13257	1.2
189.11263	1.2
193.12206	1.9
193.96527	0.9
195.13771	2.0
197.13210	1.1
199.13289	1.0
211.13222	3.6
215.18048	0.9
227.12761	3.7
229.14363	2.7
239.18001	1.0
243.15938	2.3
253.14328	3.3
255.15872	6.1
257.19025	2.0
266.92358	0.8
267.15878	4.5
269.17407	5.3
271.15472	1.1
275.20007	10.1
285.16748	1.1
287.18484	13.8
291.19244	1.1
293.21063	1.0
331.22556	0.8
349.23669	9.4
351.25351	1.6
367.24753	1.9
383.24280	1.0
405.26239	1.0
409.25687	3.4
423.27432	14.9
431.28094	1.4
435.27310	9.5
437.28922	4.1
449.28836	10.8
467.18747	1.0
467.29840	3.0
469.20026	1.1
473.29050	1.2
481.31671	20.1
481.38507	0.7
482.31696	1.3
485.32489	2.9
503.33636	19.9
504.33655	1.2
517.35028	1.9
529.35406	7.4
535.36420	1.3
543.36810	5.2
547.36047	2.2
551.27966	1.5
561.37823	9.0
567.31317	1.7
579.38794	1.8
593.32977	1.8
625.33362	1.2
679.32666	1.8
726.43335	11.2
727.44940	0.9
759.38208	2.0
768.09210	0.9
776.38763	9.3
777.40137	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.9
55.05506	42.0
57.03431	18.6
57.07053	2.0
59.04989	3.3
61.02925	8.7
65.03925	5.3
67.05499	100.0
67.96722	1.3
68.98592	1.4
69.03415	6.3
69.07061	18.5
70.66273	1.3
71.04977	5.3
73.02903	3.7
79.05486	60.6
79.05949	2.9
80.05798	1.5
81.03419	6.5
81.07052	65.3
82.07375	1.7
83.04965	6.4
83.08615	13.7
85.02903	17.4
85.06544	3.9
87.04445	4.2
91.03953	2.1
91.05470	30.6
91.51678	1.5
92.05803	2.0
93.07038	43.6
93.61590	1.4
94.07368	1.4
95.04962	10.2
95.08023	2.5
95.08600	44.1
95.09211	2.1
96.08958	1.8
97.02887	8.0
97.06506	5.1
97.10163	19.8
99.04461	1.8
99.08140	2.1
103.03938	2.6
105.04507	3.1
105.07023	19.6
107.04951	3.0
107.08593	32.9
109.06527	3.7
109.10147	55.7
111.04427	1.9
111.08064	5.2
117.07031	7.5
119.08576	21.5
121.06531	1.5
121.10133	22.0
123.08112	2.9
123.11694	5.2
125.09632	17.6
127.03929	1.4
129.07007	2.6
131.08551	12.5
133.10106	12.3
135.08064	1.4
135.11674	14.4
137.09566	3.7
137.13272	1.9
139.11165	2.7
143.08545	2.3
143.10593	3.1
145.10106	9.9
147.11655	9.2
149.09601	1.7
149.13260	6.2
153.12747	1.7
155.10686	2.7
157.10118	3.3
159.11723	6.6
161.13220	4.8
163.11169	5.5
163.14757	2.2
171.11653	2.9
173.09621	2.3
173.10414	1.5
173.11726	12.4
173.13258	5.8
175.11101	1.8
175.14819	1.8
176.15042	1.3
184.07326	3.4
187.14780	2.8
189.11163	2.3
193.12154	2.1
199.13290	10.5
209.11742	5.0
217.14339	2.0
227.12776	8.2
229.14320	44.7
243.21077	3.9
244.08662	1.4
245.13814	3.0
247.13022	1.5
259.20639	2.6
261.22113	15.4
267.15854	4.3
283.15344	2.5
289.21616	3.2
301.16376	15.5
327.23126	2.0
335.25784	69.9
336.26041	4.0
363.25305	2.3
465.21048	12.0
466.21231	14.6
477.35580	6.9
489.35861	14.7
531.54987	1.6
543.36481	3.8
561.37866	8.0
604.73755	1.5
660.33221	2.0
678.34949	2.5
689.34711	7.8
690.35352	61.7
691.35004	2.3
758.41022	7.5
776.42297	22.1
777.41449	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05512	5.5
57.03435	8.9
61.02917	1.3
64.85856	1.0
65.03627	1.1
66.05314	1.1
67.05505	11.7
69.03436	5.6
69.03750	1.1
69.07059	16.0
69.37531	1.8
69.37928	3.0
70.06596	1.8
71.04990	47.9
73.02906	4.5
75.04489	6.0
76.40720	1.0
79.05489	3.4
80.09581	1.0
81.03411	3.1
81.07050	14.1
83.04983	14.7
83.08608	2.3
84.97786	1.1
85.02901	85.4
87.04466	1.4
91.05466	3.1
93.07036	6.5
95.04952	3.2
95.08601	14.9
97.02905	5.5
97.06536	1.7
98.23558	2.2
99.04457	1.8
99.08077	5.6
101.06042	1.6
105.07034	4.2
107.08579	7.7
109.02842	1.4
109.10151	71.2
111.04442	9.4
111.08033	2.4
111.11727	1.4
117.06989	1.9
119.08593	4.7
121.06495	1.6
121.10143	4.3
123.08024	5.2
123.11701	2.1
127.03913	4.4
127.11185	34.6
129.05464	27.4
129.06981	1.9
131.08545	6.1
133.10139	4.7
135.11647	3.1
139.07521	1.3
143.08559	3.9
145.04977	3.6
145.10068	5.7
145.12256	1.3
147.06505	15.5
147.11694	7.0
149.09590	1.5
149.13248	1.3
153.01903	1.2
155.08572	3.4
157.10159	5.7
159.11699	9.9
161.13249	1.6
163.05980	1.2
165.07259	1.1
167.07106	1.2
169.10088	1.1
171.11696	4.4
173.09636	3.3
173.13246	2.8
175.03641	1.3
175.11182	3.2
183.11711	2.6
185.13203	2.2
187.14835	2.1
195.11629	2.2
197.13301	3.8
199.14876	3.2
201.12769	2.0
201.16373	1.8
209.13187	2.6
211.14778	4.0
213.16357	3.3
215.14314	1.3
225.07497	1.2
225.16374	3.2
229.15903	1.9
237.16568	1.4
240.18776	1.6
241.15802	1.3
241.19542	1.8
243.17378	2.3
251.17891	3.0
253.19531	18.7
255.08566	1.7
255.17601	1.5
261.18515	2.0
267.17426	2.5
268.18295	3.1
269.18933	5.9
271.20523	11.5
273.09769	1.8
273.18335	1.2
284.91077	1.4
285.18466	6.8
286.19254	9.7
287.20026	6.4
305.22650	1.6
309.11734	2.9
317.38217	1.1
323.23611	2.9
341.24881	2.5
359.14825	1.5
361.28839	6.0
379.29831	20.3
381.31412	2.2
386.22812	1.3
397.30991	100.0
398.31259	6.3
399.32584	8.2
415.32028	30.0
417.33426	2.0
543.36615	1.4
559.36389	2.8
776.29712	5.9
777.30804	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	776.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.7
57.03442	18.2
57.07068	5.6
65.03934	3.4
67.05500	65.1
69.03430	4.2
69.07069	29.8
71.04975	7.1
79.05483	28.9
81.03412	88.8
81.07049	61.0
83.04976	10.1
83.08608	29.6
91.05479	28.9
93.07037	29.2
95.04943	24.0
95.08605	46.7
97.06547	7.2
97.10151	7.1
98.22697	6.8
98.23386	15.1
105.06999	18.1
107.04930	9.0
107.08591	15.0
109.10165	18.1
111.04430	4.0
111.08064	4.3
119.08606	20.6
121.10132	16.8
123.11682	4.3
129.07013	9.7
129.98813	4.5
131.08542	6.3
133.06471	7.4
133.10112	6.6
135.11716	4.6
147.11734	11.7
149.09628	4.1
149.13147	5.0
157.10129	6.9
163.11296	3.4
175.11198	6.8
188.50418	3.8
193.12270	23.0
228.88795	4.4
263.23660	9.2
267.15881	100.0
268.16040	4.3
274.88025	3.4
337.27325	96.9
350.48373	3.6
427.73700	3.6
529.38989	83.8
530.38831	4.4
547.39978	51.8
571.39368	3.8
611.89868	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	777.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83004	0.4
61.43841	0.4
61.44160	0.4
61.80430	0.4
62.60968	0.4
62.81567	0.5
69.03410	1.6
72.01157	0.4
81.03419	1.2
84.04483	0.7
99.04450	1.4
129.56731	0.5
134.99901	0.5
147.12270	0.4
162.99478	0.6
171.35016	0.5
176.02585	1.1
183.06207	1.1
188.02588	1.1
199.04153	0.6
200.02570	1.3
202.04097	0.6
211.04102	1.2
214.04134	0.5
216.02051	1.2
217.63271	0.5
218.03651	0.9
227.03618	3.7
228.02075	1.5
229.05238	1.6
239.03592	0.7
241.05280	1.4
245.04669	8.5
245.06918	0.7
246.02922	1.0
253.05130	0.8
254.07155	0.6
255.06714	0.7
256.06363	1.3
257.04706	0.9
260.76721	0.4
261.05771	0.5
263.05420	1.1
263.07733	0.9
264.05023	1.1
264.54361	0.6
265.04968	0.8
266.04733	1.0
267.03232	0.7
267.06744	0.5
272.04803	0.7
273.04352	1.4
279.06787	1.0
280.06357	0.7
281.08350	4.8
284.05603	2.4
285.04083	6.2
285.06729	0.6
286.04572	0.6
286.07404	0.7
291.07117	0.6
292.06198	1.0
294.07941	0.9
295.06357	1.0
298.07373	0.8
299.06366	0.4
299.09576	0.7
302.06793	19.2
303.05020	9.6
304.05792	0.8
304.09839	0.5
304.55881	0.6
306.08002	0.6
307.06296	1.5
309.08502	1.4
310.07230	4.1
311.05804	1.0
312.09137	0.9
313.07214	0.8
316.09781	0.6
317.08194	0.6
319.06876	0.9
320.07898	11.8
321.08078	1.4
322.11087	0.8
325.07532	1.6
327.10031	1.5
328.09973	0.8
329.07135	0.7
333.07266	0.5
334.10806	0.8
337.08215	3.7
338.06888	11.1
338.10431	1.8
339.06628	0.7
345.08264	0.6
346.07263	0.6
346.11053	1.6
351.09949	0.5
355.09448	24.4
356.07657	9.7
357.07431	1.0
360.08578	0.6
364.08249	2.5
365.07019	1.1
372.08972	1.1
373.10535	29.1
374.10410	4.1
382.09286	4.3
386.10260	0.6
389.11795	1.3
390.09866	2.4
391.09152	0.4
391.13232	7.0
392.11786	2.3
399.09729	0.7
400.08636	1.7
408.11206	1.3
409.14301	1.3
410.12747	0.5
417.10995	5.7
418.09363	4.9
435.12067	13.9
436.11014	3.4
453.13211	8.2
454.12619	1.1
471.15317	0.7
475.63458	0.6
476.13031	1.0
484.13651	1.0
484.63455	1.0
497.13855	1.3
515.14691	3.6
524.15033	0.9
532.09167	1.1
533.15759	100.0
533.66010	2.4
534.15973	8.2
551.16772	3.0
759.25415	0.9
777.26440	12.5
778.26349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.366
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01910	2.5
70.06602	4.6
74.52209	2.2
83.36416	2.2
86.31351	2.2
98.22704	5.7
137.05992	3.4
151.03920	4.3
191.07060	3.2
285.10461	2.8
385.13068	2.5
510.34122	2.7
542.47729	3.1
615.38757	3.9
707.62726	2.4
777.36401	100.0
778.36694	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	777.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.6
57.03386	1.9
57.03642	0.6
59.04964	0.7
61.02923	4.1
61.89436	0.3
67.05495	6.2
69.03417	2.8
69.07014	0.6
71.04948	1.6
72.38504	0.4
73.02908	3.4
79.05487	1.9
79.05820	0.4
81.03416	3.7
81.07046	2.2
83.04927	0.5
83.08571	1.2
85.02901	4.5
86.09667	0.6
87.04414	0.6
91.03942	2.8
91.05463	2.4
93.06990	1.7
95.04917	0.9
95.08546	1.2
97.02878	3.5
98.23505	0.8
99.04398	0.8
101.02328	1.4
103.03880	0.6
105.06956	1.4
107.04208	0.4
107.04904	0.6
107.08518	0.7
109.02817	1.1
109.06448	0.5
109.09540	0.4
109.10137	4.7
111.08060	0.9
119.08528	1.1
119.09337	0.4
121.10081	1.6
121.92428	0.3
124.99914	0.5
127.03831	1.4
129.07001	0.6
131.08508	1.2
133.10068	0.6
137.09605	0.6
147.11627	1.2
149.09563	1.5
157.10107	0.8
173.11722	1.9
175.11093	1.0
184.07274	2.4
193.12225	1.6
195.09901	1.1
197.15372	0.5
203.05266	0.6
217.74454	0.4
225.14940	0.5
229.14328	1.7
233.11186	0.5
243.08386	3.2
251.12439	0.4
252.80823	0.4
266.20026	0.4
267.15991	1.1
271.68362	0.4
283.15091	4.7
339.17813	1.3
385.18716	0.4
413.17752	14.7
440.48932	0.4
469.20346	0.6
501.23035	16.5
501.30444	0.8
511.28818	0.8
673.34045	100.0
674.34387	6.7
731.37872	0.9
759.36426	0.6
777.38684	13.3
778.37848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.05508	2.5
55.70735	0.7
56.62520	0.7
57.03150	0.7
57.03434	2.4
59.04988	1.5
61.02928	5.7
67.05507	6.2
69.03424	3.7
69.07075	1.0
70.06585	3.6
71.04981	3.6
71.43444	0.7
73.02916	4.5
79.05484	5.3
81.03413	6.9
81.07048	4.1
83.04988	2.1
83.08629	1.7
85.02909	6.7
85.06538	1.2
91.03959	3.0
91.05468	6.2
92.05824	0.9
93.07038	4.2
95.04974	4.0
95.08625	2.0
97.02881	6.1
97.06522	1.3
99.04436	1.3
99.35326	0.8
101.02388	1.8
103.03946	0.7
105.07061	2.8
107.05006	1.4
107.08609	2.6
109.02882	1.7
109.06512	0.8
109.10170	1.7
115.03915	0.7
117.07050	1.2
119.08609	2.1
121.10111	4.1
122.09713	1.2
123.08119	0.8
123.11752	1.3
125.05971	0.8
125.09663	1.0
127.03923	2.3
129.07018	1.8
131.08601	2.2
133.10191	2.0
137.06027	1.6
137.09666	0.8
142.08722	0.9
145.10181	1.4
147.11699	1.8
149.09665	1.8
153.01799	8.3
157.10173	1.4
163.11203	2.0
167.07092	2.0
171.02957	1.9
175.11253	1.3
184.07411	1.0
193.12280	2.5
211.13330	1.5
243.08331	4.3
254.17383	0.9
267.12115	1.3
267.16006	1.6
283.15234	4.3
285.17130	1.8
299.14630	1.3
339.17984	1.0
370.15945	0.9
413.17767	0.8
427.19214	1.0
439.19559	0.9
441.17575	1.5
457.20889	1.8
469.20676	1.1
485.20013	6.9
499.21707	1.3
501.22952	14.6
517.22693	3.5
580.28558	1.5
727.34143	2.7
745.36420	7.9
746.35999	1.0
759.38147	2.2
777.38788	100.0
778.39319	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	777.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05497	1.4
57.03426	1.8
58.31841	0.4
61.02921	4.9
67.05502	4.2
69.03415	3.0
69.07064	2.0
71.04990	0.6
73.02914	3.0
79.05495	3.9
79.06842	0.5
81.03410	3.8
81.07050	3.5
83.04980	1.4
83.08655	0.6
85.02894	5.2
91.03963	1.9
91.05470	5.0
93.07039	2.4
95.04972	1.4
95.08627	2.2
97.02892	4.1
98.22619	1.2
101.02376	1.2
105.07027	3.5
107.04981	1.3
107.08617	1.5
109.02895	0.6
109.06523	1.3
109.10172	2.0
109.18787	0.5
111.08092	0.9
117.07018	1.0
119.08592	2.0
121.10146	0.6
123.08131	0.5
127.03923	0.9
129.07001	1.4
131.08559	1.1
133.10092	2.5
145.10106	0.6
147.11647	0.6
151.11093	0.6
157.10086	1.0
161.09624	0.7
175.11249	0.9
184.07318	3.7
185.04222	1.4
193.12276	1.6
203.05318	0.8
211.13364	0.7
223.22557	0.5
243.08418	2.7
251.12628	1.0
279.43234	0.6
287.94168	0.5
301.09109	0.7
331.18912	1.6
422.47839	0.6
451.19455	1.3
469.20370	7.0
531.25940	2.2
541.22943	0.8
549.26746	4.4
679.32874	2.3
708.33356	0.8
759.39001	9.8
760.39130	0.8
777.40143	100.0
778.40448	10.0
779.36060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05519	2.1
55.40889	0.5
57.03437	2.9
61.02924	4.8
65.03932	0.5
67.05496	2.8
69.03424	3.5
69.07056	2.4
69.88673	1.2
71.04981	1.2
73.02902	3.8
79.05483	3.9
81.03407	3.9
81.07049	4.5
83.01315	0.5
83.04973	1.3
83.08615	1.6
83.90475	0.5
85.02890	5.4
91.03928	2.3
91.05463	2.9
93.07040	2.1
95.04971	1.9
95.08601	1.9
97.02881	5.4
97.06528	0.5
97.10172	0.7
99.04462	1.0
101.02381	1.4
105.07047	2.2
107.04938	0.6
107.08561	2.1
109.02886	0.5
109.06491	0.5
109.10134	0.8
117.07016	0.6
119.08608	1.8
121.10171	1.0
125.09636	0.9
127.03944	1.2
129.07001	0.8
131.08591	1.3
133.10149	0.8
135.11700	0.9
140.26169	0.4
145.10130	1.0
147.11705	1.0
157.10173	0.8
163.11211	0.9
175.11188	0.7
180.39209	0.4
184.07361	1.4
185.04308	0.6
193.12344	0.6
203.05336	0.5
223.13353	0.5
237.30894	0.4
243.08377	2.5
251.12550	0.8
285.16940	0.5
291.19623	0.9
305.13861	0.4
331.18903	1.3
333.20563	0.6
359.26602	0.4
362.16635	0.5
439.19504	0.4
467.18887	3.9
469.20313	5.5
515.81342	0.4
549.26855	2.0
551.28278	1.6
563.11401	0.5
777.40173	100.0
778.40436	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	777.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05513	2.1
57.03436	2.5
60.19871	0.4
61.02924	4.6
65.03944	0.4
67.05498	4.5
69.03428	4.4
69.07062	1.8
71.01351	0.7
71.04979	1.3
73.02911	4.0
79.05483	4.1
79.86840	0.3
81.03412	4.0
81.07056	5.5
83.04994	1.5
83.08623	1.6
85.02898	6.2
85.06549	0.4
86.09707	1.8
87.04485	0.7
91.03951	2.7
91.05475	5.1
93.07033	3.3
95.04970	1.9
95.08606	2.2
97.02886	5.0
97.06528	1.0
97.10187	0.5
98.22678	0.7
99.04443	0.9
101.02357	2.0
101.70210	0.4
105.07023	2.9
107.04971	0.9
107.08601	2.0
109.02890	1.4
109.06509	0.9
109.10168	1.3
110.10464	0.4
117.07021	0.6
119.08567	2.2
121.06476	0.4
121.10143	1.1
123.08117	0.5
124.99986	0.9
127.03927	1.8
129.06995	0.4
131.08583	0.6
133.10106	2.8
135.11708	1.7
137.09560	0.5
145.10150	1.0
147.08067	0.4
147.11732	1.3
149.09625	0.7
151.11147	0.6
153.01825	0.4
153.66383	0.4
157.10135	0.9
163.11203	1.0
175.11121	0.5
184.07323	5.1
185.04195	0.7
193.12225	0.9
194.08110	0.4
211.13329	0.8
243.08449	3.2
251.12531	0.5
263.65875	0.4
331.18741	2.0
439.19354	0.5
453.20956	0.5
467.18845	2.8
469.20331	5.8
549.26648	2.7
551.28522	2.3
679.32953	1.2
777.40192	100.0
778.40607	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	777.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
55.05509	1.9
57.03437	2.0
61.02922	5.2
67.05493	5.2
69.03425	4.4
69.07091	1.3
71.01353	0.9
71.05022	0.9
73.02909	4.6
74.58051	0.5
75.63612	0.5
79.05491	4.6
81.03409	2.9
81.07048	4.9
83.05006	0.7
83.08582	0.7
85.02891	4.9
91.03963	2.5
91.05482	2.5
93.07041	5.1
95.04989	1.5
95.08602	4.1
97.02886	5.3
97.03432	0.8
97.06542	1.1
99.04473	0.8
101.02402	2.0
103.03931	0.7
105.07059	2.4
107.04970	1.1
107.08624	2.1
109.02857	0.9
109.10172	1.3
111.04456	1.7
117.07020	1.1
119.08580	1.3
121.10150	2.4
127.03918	1.6
131.08569	1.3
133.10127	1.1
135.11722	2.2
145.04956	0.5
145.10133	2.2
152.03392	0.6
163.11238	2.6
173.09673	0.6
209.11745	0.6
223.13315	1.6
240.13295	0.6
241.14381	0.9
243.08536	2.1
251.12720	0.6
281.13629	5.0
294.14130	0.7
335.26050	0.6
337.16412	0.9
467.18616	0.7
499.21451	8.8
519.29333	4.9
647.42999	2.5
654.21100	0.9
759.41840	1.2
777.43872	100.0
778.44397	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	777.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72630	0.6
55.05503	2.1
57.03430	2.0
59.90881	0.5
61.02923	6.9
67.05501	6.8
69.03423	3.8
69.07069	1.6
71.01371	1.0
71.05013	0.6
73.02910	4.1
74.72913	0.5
79.05473	5.4
81.03414	3.1
81.07047	5.2
81.70927	0.5
83.04948	0.6
83.08623	0.9
85.02898	5.1
91.03954	2.7
91.05471	2.9
93.07028	4.4
95.04964	1.4
95.08595	4.0
97.02887	5.5
99.04470	0.7
100.06580	0.7
101.02391	1.7
105.07053	2.1
107.08593	2.6
108.12730	0.6
109.06525	0.7
109.10158	1.7
111.04436	0.8
117.07042	0.8
119.00709	0.6
119.08597	1.8
121.10168	2.0
127.03965	2.1
131.08563	1.0
133.10190	0.8
135.11729	1.5
136.39250	0.5
145.10150	1.4
147.11700	0.6
163.11249	1.1
184.07356	0.8
221.58372	0.5
223.13197	0.6
225.78925	0.6
243.08449	2.0
281.13580	5.0
335.26044	0.7
337.15948	0.7
467.19290	0.7
499.21457	3.3
519.29333	7.1
647.42609	0.8
664.26154	0.6
759.41412	0.7
777.43866	100.0
778.44263	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	777.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
57.03418	1.7
61.02925	4.6
67.05505	5.1
67.83559	1.3
69.03424	1.9
73.02934	3.0
79.05496	6.1
80.87826	1.3
81.03417	1.8
81.07048	5.8
83.04969	2.3
83.08611	1.3
85.02904	3.5
91.03959	1.7
91.05489	5.5
93.07047	5.2
95.08581	4.3
97.02900	3.1
101.02377	2.3
101.72063	1.5
105.07023	2.0
107.08605	2.9
119.08607	1.9
127.03937	1.4
129.06987	1.6
147.11688	2.1
149.02452	1.5
152.83215	1.4
193.37759	1.3
243.08496	4.7
335.21896	3.2
366.65375	1.6
465.20984	12.2
553.29993	4.4
777.43811	100.0
778.44116	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	778.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
55.05506	15.0
57.03435	10.1
61.02928	3.0
62.19963	1.6
65.03923	3.5
67.05500	30.1
68.05024	2.0
69.03436	7.9
69.07059	6.8
70.06594	32.0
70.09674	1.4
71.04991	20.2
73.02922	2.0
79.05489	27.9
81.03412	54.5
81.07043	28.2
83.04968	10.8
83.08617	15.8
83.45235	1.6
85.02898	18.4
85.06538	2.0
86.06069	3.3
91.04938	2.7
91.05476	40.0
93.07034	19.9
95.04965	21.2
95.08601	17.2
96.08135	5.0
97.02881	5.6
97.06528	4.2
97.10163	5.1
98.06048	4.2
103.05463	2.6
105.03381	3.6
105.04516	2.1
105.07024	31.8
106.06566	4.3
107.04945	12.9
107.08567	7.7
109.02864	6.9
109.06495	3.5
109.10135	7.8
111.04455	2.8
111.08046	7.4
113.06028	1.8
115.05477	3.3
117.07011	6.4
119.04933	2.4
119.08568	19.5
121.02869	4.1
121.06489	4.9
121.10151	7.2
123.04452	4.0
123.08092	4.9
123.11746	1.9
124.07594	7.3
125.02318	3.9
125.06018	1.5
125.09645	3.1
127.03891	2.3
129.07013	12.4
131.08585	11.6
133.06467	5.1
133.10115	15.8
135.04398	4.3
135.11720	2.2
137.02368	2.4
137.05972	4.2
141.06985	3.6
142.07773	2.3
142.08653	17.5
143.08566	3.3
145.06468	5.4
145.10153	5.3
147.04364	2.3
147.08012	5.2
147.11684	33.0
149.09608	6.1
151.03943	11.5
153.01868	2.6
154.07742	2.6
157.10112	13.7
159.04434	2.9
159.11647	8.9
161.05981	4.2
163.03894	7.4
165.12773	2.1
167.07040	29.0
168.07368	6.6
169.10109	6.4
171.08134	2.5
171.11705	2.1
173.05981	3.3
173.09610	3.1
173.11723	2.9
175.11179	15.0
177.05463	3.6
177.12852	1.7
178.74420	1.6
179.03490	2.4
181.04909	2.0
187.11162	15.8
189.12776	3.9
191.03378	4.1
193.12215	32.9
197.09575	2.3
205.12183	1.8
211.09750	2.1
211.13286	46.6
215.10603	13.6
225.09100	4.0
229.14328	5.3
233.11717	23.7
243.10039	8.4
254.17508	1.8
261.11169	9.4
264.43100	1.7
267.15918	33.1
279.12399	8.8
285.16940	48.3
297.13324	13.7
309.17169	1.7
317.13803	2.0
335.15005	10.0
353.15924	54.1
354.16360	1.7
371.17184	2.5
439.26712	4.3
509.24976	2.0
525.37646	1.6
527.26398	8.5
545.27313	26.7
545.34961	2.1
555.30701	1.8
563.28485	100.0
564.28906	5.2
580.34711	3.9
581.29449	4.5
598.35687	2.6
616.36432	2.8
708.57324	2.1
760.41644	3.0
778.41193	7.9
779.34406	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	778.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.0
55.05507	13.5
57.03429	11.3
57.07071	5.3
61.07571	0.8
65.03907	1.0
67.05498	19.6
69.03429	1.1
69.06709	1.6
69.07063	21.1
71.04980	2.7
71.08614	3.5
79.05492	10.8
80.27460	0.7
81.03410	52.9
81.06577	0.7
81.07053	20.7
83.04971	3.2
83.08613	23.2
85.06520	1.6
85.10171	1.2
91.05474	9.6
93.07034	9.9
95.04956	14.1
95.08597	16.2
97.02891	1.9
97.06503	3.1
97.07095	0.8
97.10159	10.0
99.08092	0.9
105.04464	0.8
105.07001	6.5
107.04948	2.9
107.08579	5.6
109.06478	2.5
109.10160	7.2
111.04452	1.2
111.08055	6.0
111.11684	2.0
117.07084	0.8
119.08582	7.8
121.06516	1.5
121.10139	9.4
123.11663	1.7
125.09602	1.8
129.07004	5.4
131.08562	3.5
133.06503	2.0
133.10098	2.2
135.11708	4.6
142.07758	1.5
147.08072	1.9
147.11656	4.3
148.61954	0.8
149.09581	3.4
149.13251	1.2
157.10112	6.7
163.11151	1.2
165.12747	1.1
175.11235	5.3
184.07291	1.4
193.12207	18.3
200.13297	0.8
211.13293	1.3
235.13303	1.0
247.24129	1.1
249.14862	1.3
265.25168	1.5
267.15887	100.0
268.16068	2.5
309.16855	1.9
339.28900	82.8
340.29169	3.5
401.34479	1.0
457.36676	2.5
504.78372	1.0
531.40375	70.4
532.40613	4.9
549.41412	10.4
573.41296	1.6
639.42389	1.8
657.42841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05518	1.4
57.00550	0.4
57.03430	2.5
60.20855	0.4
61.02923	5.5
62.72810	0.4
65.03939	0.4
67.05498	4.6
69.03426	2.5
69.07057	2.2
69.67793	1.5
71.01344	0.8
71.04993	1.0
73.02913	3.4
77.37325	0.4
79.05490	4.5
81.03410	3.2
81.07054	4.6
83.04992	0.9
83.08615	1.5
85.02905	5.2
85.06554	0.5
86.09709	0.4
91.03948	2.4
91.05474	4.0
93.07014	3.0
95.04960	2.4
95.08585	2.4
97.02898	4.0
97.06536	1.1
98.22704	0.5
99.04449	0.8
101.01772	0.4
101.02343	2.1
105.07018	2.5
107.04972	0.4
107.08607	1.6
109.02905	0.6
109.06525	0.8
109.10181	0.5
111.08096	0.6
113.06083	0.4
116.28345	0.4
117.07051	1.0
119.08588	2.1
120.03642	0.4
121.06522	0.7
121.10131	1.1
127.03931	1.3
129.07028	0.6
131.08609	1.2
133.10136	1.5
135.11725	0.9
147.11749	0.7
157.10214	0.7
184.07343	1.2
193.12259	1.0
203.05367	0.5
211.13281	0.7
243.08412	2.9
251.12624	1.0
254.90199	0.4
333.20499	1.0
389.23129	0.6
439.19571	1.2
442.09772	0.4
453.21033	1.5
469.20395	7.6
551.28290	6.6
681.34082	1.0
779.41742	100.0
780.42206	9.3
800.99872	0.5
808.76605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05508	1.4
57.03428	2.0
61.02925	4.5
67.05496	3.2
69.03423	2.9
69.07066	1.6
71.01343	0.5
71.04994	0.8
73.02916	3.9
79.05495	3.8
81.03410	3.9
81.07053	3.8
83.04992	0.9
83.08621	1.2
85.02902	6.3
91.03931	2.2
91.05473	4.2
93.07038	2.3
95.04994	1.5
95.08596	1.8
97.02901	3.6
97.06534	0.8
97.10197	0.4
98.22700	0.8
99.04446	0.8
101.02399	1.5
103.03923	0.3
105.07030	2.6
107.04980	0.8
107.08597	1.6
109.06582	0.5
109.10159	0.5
111.08098	0.7
115.03991	0.4
117.07040	0.7
119.08564	2.1
121.10150	1.3
127.03954	0.9
129.07036	0.9
131.08574	0.9
133.10156	1.5
134.25517	0.3
135.11656	0.7
138.98293	0.4
142.07811	0.4
145.10077	0.6
147.11702	1.1
149.09599	0.5
157.10161	1.1
163.11246	0.4
175.11174	0.9
181.59712	0.3
184.07355	0.6
185.04274	0.9
193.12282	1.3
223.84029	0.4
232.62547	0.4
243.08372	2.6
251.12498	1.0
283.49591	0.4
307.15173	0.7
333.20135	2.1
389.23145	0.6
436.58975	0.4
439.19434	0.9
453.20770	0.4
459.27927	0.4
469.20422	9.7
470.20358	0.5
551.28320	4.2
779.41754	100.0
780.42053	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	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.9
57.03435	3.7
61.02927	7.0
67.05508	5.1
69.03411	3.4
69.07067	1.6
69.68276	2.9
70.06606	2.8
71.05016	0.7
73.02907	5.0
79.05479	4.9
81.03415	4.9
81.07052	3.9
83.04993	1.8
83.08631	2.7
85.02908	6.8
86.09694	0.9
91.03951	4.3
91.05483	5.2
93.07053	3.9
95.05006	1.9
95.08627	2.0
97.02896	7.4
99.04450	1.5
101.02401	2.4
103.03944	0.9
105.07041	3.1
107.08622	1.7
109.02882	1.1
109.10197	1.1
117.05513	0.9
119.08599	2.3
121.10186	1.1
125.09677	0.9
127.03954	2.2
129.05524	1.2
129.06984	1.2
131.08565	1.0
133.10144	2.0
135.08084	0.7
135.11684	1.4
145.20537	0.7
147.11749	2.4
157.10109	0.9
169.48495	0.8
171.11697	1.2
175.11258	0.9
184.07440	1.4
185.04201	4.6
192.67628	0.7
193.12305	1.2
201.03699	1.0
203.05235	0.9
211.13245	1.0
243.08333	5.1
247.13130	1.9
301.08920	10.3
315.10541	3.5
317.20975	1.2
327.10880	0.9
343.13940	0.9
355.13596	1.1
357.15213	0.9
357.24103	1.0
369.15393	1.3
369.92114	0.7
373.11331	3.1
383.16891	1.0
384.97299	0.8
385.18463	5.3
429.17276	1.3
429.26328	1.1
453.21118	1.6
465.20914	4.3
466.21335	0.9
467.18726	1.4
469.20374	10.2
470.20880	1.1
495.22116	1.3
495.29861	0.8
499.34088	1.9
525.22937	12.2
525.29315	0.8
535.28619	7.8
551.28400	2.1
565.25507	0.8
579.31055	0.9
594.30096	3.2
607.30499	4.1
609.32806	2.9
635.34052	1.8
652.04523	0.7
663.33789	1.8
677.38837	2.7
678.40198	1.3
681.34479	3.3
691.39264	0.9
693.34454	43.1
694.34399	4.9
695.39972	3.3
717.41290	1.0
719.39691	0.8
733.39569	0.8
761.40747	6.1
779.41174	100.0
780.41760	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	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.05507	3.1
57.03430	3.9
57.07090	0.8
61.02919	11.0
67.05492	6.5
69.03424	4.2
69.07067	3.3
70.06587	3.7
71.05003	2.1
73.02916	5.9
79.05488	5.7
81.03429	3.1
81.07042	6.9
83.04977	2.2
83.08630	3.1
85.02901	7.5
91.03957	5.4
91.05447	4.7
93.07035	6.9
95.04983	2.7
95.08604	3.1
97.02885	6.5
98.23475	1.8
99.04461	2.3
101.02370	3.1
105.07016	2.6
107.04951	1.0
107.08600	4.3
109.02879	2.0
109.10168	2.6
111.10047	1.0
117.07009	1.7
119.08625	1.9
121.10173	2.1
123.04267	1.0
125.09655	1.3
127.03948	3.3
129.05492	2.9
133.10136	1.9
135.11694	2.4
147.11682	1.0
150.48665	0.9
184.07397	3.7
185.04182	5.7
201.03723	2.3
203.05193	1.1
215.20268	1.1
228.95047	1.1
235.13086	2.2
243.08327	5.9
263.12411	1.3
301.08929	10.7
313.09073	1.8
315.10519	6.4
317.21011	1.4
327.10587	2.2
355.13547	1.4
357.14838	1.2
369.15237	2.8
371.16614	5.0
372.32202	0.9
373.11118	6.5
385.18289	6.4
387.12747	1.6
397.85123	1.0
401.14966	1.0
413.18420	1.5
415.15594	1.9
417.25906	1.6
425.21500	3.9
429.17303	2.4
439.19287	9.2
443.19080	1.4
453.20963	13.0
455.19040	1.4
457.20184	2.6
469.20438	4.4
481.20544	4.1
483.22101	2.9
484.22644	2.7
489.28046	1.3
495.22000	2.1
497.23987	2.0
509.23367	1.0
511.21469	2.1
512.22186	1.5
525.23236	4.3
535.28528	3.1
539.24414	1.0
549.27057	1.4
553.29932	1.8
567.31494	42.5
568.31842	3.5
579.31384	3.1
589.70862	1.1
594.33478	1.7
595.30164	1.1
609.28033	1.8
621.32458	2.7
622.33228	5.6
625.32373	1.5
635.33881	2.3
651.33386	25.2
652.33508	3.0
664.33600	1.5
677.38129	1.2
681.34027	1.4
693.34210	26.2
694.34589	2.5
733.41144	29.0
761.40472	4.3
777.40320	6.2
779.41516	100.0
780.41980	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	779.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
55.05499	2.2
57.03436	2.7
60.31898	0.9
61.02925	7.4
67.05499	7.4
69.03429	4.4
69.07069	3.0
70.06592	3.9
71.04987	1.9
73.02913	6.3
79.05486	7.1
81.03424	5.6
81.07051	5.2
83.04947	1.5
83.08618	1.8
85.02901	8.1
91.03972	4.2
91.05473	5.4
93.07034	7.8
95.04977	3.9
95.08604	3.3
97.02895	7.3
97.06544	1.2
99.04424	1.3
101.02359	2.4
105.07054	4.2
107.05000	1.2
107.08615	3.2
109.02887	1.4
109.10174	2.1
115.03938	1.0
117.07025	1.2
119.08553	4.7
121.10170	2.1
127.03970	1.6
129.07022	1.6
131.08571	1.9
133.10158	2.7
135.11707	1.5
145.04922	1.0
147.11742	2.5
151.11214	0.9
161.13255	1.4
171.11696	1.6
183.06538	0.9
184.07364	2.6
185.04245	2.1
190.22812	1.0
193.12332	1.4
201.03816	1.3
203.05286	1.4
243.08414	6.1
247.13069	2.1
251.12544	5.7
291.15793	1.2
301.09000	2.9
315.10693	2.1
373.11179	1.9
385.18237	2.3
439.19382	2.0
453.20819	1.8
465.20905	13.4
466.20718	1.0
469.20416	13.4
471.22128	3.6
511.33331	1.1
525.23059	1.4
533.27832	1.4
549.26758	2.2
551.28149	2.1
567.32104	1.2
593.29602	2.0
607.30756	1.5
635.34100	1.9
663.33191	2.0
681.34259	2.3
693.34485	69.4
694.35388	6.0
733.41266	24.7
734.41620	1.7
761.41211	8.3
779.41364	100.0
780.41498	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	779.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
55.05506	2.8
57.03432	3.5
57.07080	1.0
61.02927	5.7
65.03968	0.8
67.05502	8.9
69.03437	4.8
69.07072	2.4
69.35369	0.7
69.92558	2.2
70.06590	7.6
71.01357	1.0
71.05005	1.5
73.02910	4.5
79.05487	5.2
80.91782	0.9
81.03419	4.7
81.07047	8.3
83.04986	2.0
83.08636	2.1
85.02902	7.7
91.03961	3.1
91.05486	6.4
93.07042	5.3
95.04962	2.6
95.08616	3.2
97.02882	4.9
97.06515	1.1
98.26181	0.8
99.04442	1.6
101.02394	3.0
105.07017	4.5
107.08626	2.7
109.02914	1.1
109.10170	2.8
117.07016	1.9
119.08589	2.6
121.10130	2.0
125.09615	1.2
127.03915	1.8
131.08598	1.4
133.10184	2.1
135.11713	1.9
140.04565	0.8
145.10127	1.4
147.11732	1.2
153.31226	0.9
161.13185	0.7
184.07253	3.8
185.04208	1.2
203.05429	0.9
243.08388	3.7
251.12526	1.3
275.95074	0.9
281.17480	0.8
301.09003	2.5
371.17126	1.0
385.18109	1.4
404.36539	0.9
429.17160	1.3
439.19409	1.4
453.20831	1.6
465.21335	3.8
467.19022	0.9
469.20236	6.0
471.21179	1.2
485.19855	1.6
525.23206	3.5
535.28497	5.9
550.30554	0.9
567.31494	2.2
607.31360	1.0
663.33606	0.9
677.37463	1.0
681.34009	1.0
693.34418	25.9
694.35095	2.8
708.98413	0.9
721.41138	2.2
733.41083	6.9
757.15033	1.0
761.41174	6.9
779.41058	100.0
780.41632	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	779.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05505	1.7
57.03432	2.1
61.02927	5.3
62.72443	0.5
67.05498	5.7
67.05773	0.5
69.03429	3.4
69.07072	1.3
69.11384	0.5
71.04985	3.0
73.02902	4.0
79.05499	4.4
81.03419	1.8
81.07055	6.9
83.05004	0.9
83.08607	1.0
85.02898	5.8
91.03947	3.0
91.05489	4.6
93.07034	4.4
94.93920	0.6
95.04993	0.8
95.08623	2.3
97.02898	4.5
98.23424	1.5
99.04510	0.8
101.02379	1.7
105.07024	3.4
107.04969	0.6
107.08612	2.4
109.02891	0.6
109.10149	1.4
117.07033	1.6
119.08585	2.3
121.10212	1.4
122.66663	0.6
123.11679	0.7
127.03974	0.9
131.08589	1.6
133.10101	3.3
135.11745	1.0
147.11728	1.4
147.98547	0.6
149.13289	0.9
151.11247	0.8
159.11725	0.8
184.07333	0.9
185.04199	1.1
201.03650	0.7
203.05336	0.8
218.89146	0.7
243.08304	3.6
267.15808	1.6
301.09058	1.8
312.95731	0.6
317.20905	0.9
347.03690	0.6
355.14471	0.6
399.92908	0.7
441.21323	0.7
465.21225	1.6
467.19073	1.2
485.23578	9.7
535.28784	5.6
557.26385	1.0
594.03497	0.8
691.32928	3.3
693.33612	1.8
733.41797	1.1
761.41010	1.7
779.45526	100.0
780.46002	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	779.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
55.05518	0.8
57.03435	1.5
59.05007	0.5
61.02915	3.5
64.57872	0.4
67.05502	2.1
67.14485	0.4
69.03420	2.6
69.07059	1.1
69.56383	1.2
69.56775	1.0
71.04992	1.3
73.02906	2.5
79.05485	2.9
81.03399	2.7
81.07046	3.6
83.04989	0.6
83.08623	0.7
85.02894	3.9
85.06545	0.6
86.09682	0.6
87.04463	0.9
91.03963	1.9
91.05458	2.6
93.07012	3.1
95.04964	1.3
95.08601	2.3
95.36036	0.5
97.02891	3.1
98.23410	0.5
98.72659	0.5
99.04489	0.7
101.02399	1.4
103.03970	0.6
105.07037	1.7
107.08607	1.3
109.02953	0.5
109.06576	0.5
109.10149	0.8
119.08585	1.2
121.10152	1.6
127.03941	0.9
127.89151	0.5
130.12238	0.4
131.08565	1.2
133.10147	0.8
135.11665	0.5
145.10074	0.7
147.11722	1.0
149.09663	1.0
160.93980	0.5
177.20883	0.4
184.07324	1.1
193.12230	1.2
197.50996	0.5
211.16031	0.5
213.19780	0.5
213.21959	0.5
225.14879	0.6
243.08475	1.9
283.15155	2.7
311.19592	0.5
339.85580	0.4
497.41049	0.5
501.22852	8.0
519.29321	4.2
524.90729	0.5
779.45343	100.0
780.45715	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	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05509	1.0
57.03429	1.7
61.02925	4.7
67.05502	4.3
69.03433	3.0
69.07071	0.9
70.03452	0.8
70.03791	0.4
71.04994	0.9
71.24476	0.3
73.02919	3.3
73.95239	0.3
79.05490	3.5
81.03411	2.8
81.07053	4.7
83.08621	0.7
85.02901	4.2
87.04477	0.4
91.03952	3.0
91.05466	2.6
93.07039	4.0
95.04990	1.1
95.08611	3.0
97.02891	4.5
99.04428	0.8
101.02376	1.7
103.03942	0.5
105.07009	1.7
107.08621	1.8
109.02888	0.7
109.10174	1.3
111.08086	0.6
116.50406	0.3
119.08607	1.3
121.10116	2.1
123.11678	0.6
127.03927	1.6
131.08542	1.5
133.10158	0.9
135.11743	0.5
147.11734	0.9
149.09657	1.1
157.10188	0.4
165.79858	0.3
175.11174	0.5
185.04320	0.7
193.12299	1.0
203.05310	0.4
225.14880	0.6
243.08353	2.8
267.15915	0.3
283.15115	5.4
335.26022	0.3
339.17993	0.6
392.10562	0.3
462.73102	0.3
467.48779	0.4
501.22989	6.5
502.23196	0.5
519.29279	8.3
520.29675	0.7
617.40100	0.4
731.58997	0.4
779.45435	100.0
780.45697	11.0
780.57623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05510	3.0
57.03435	3.6
59.04987	1.0
61.02915	6.6
65.22731	1.0
67.05496	10.3
69.03432	4.7
69.07066	2.1
73.02919	6.5
78.62618	1.0
79.05484	7.1
81.03432	4.0
81.07045	9.4
83.05029	1.1
83.08614	1.1
85.02903	7.5
85.06499	1.1
87.04443	1.4
91.03967	3.8
91.05495	3.2
93.07046	5.3
95.04967	1.6
95.08578	5.1
97.02897	5.6
101.02396	2.2
105.07025	2.8
107.08624	2.9
109.10173	2.1
113.88049	1.1
119.08601	1.7
121.10177	2.5
127.03925	1.8
131.08583	1.3
131.46419	1.0
133.10144	1.3
135.11711	1.2
147.11719	1.1
149.66667	1.2
183.89241	0.9
184.07422	3.2
225.14902	1.3
229.14264	1.5
243.08464	2.2
283.15085	5.2
296.12216	1.1
324.12170	1.0
337.27554	2.4
338.27744	2.1
492.38278	1.1
501.23044	6.5
519.29309	8.2
779.45410	100.0
780.45801	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	780.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
65.03941	20.5
67.05504	3.0
69.64915	3.6
79.05503	1.2
82.04202	3.7
85.02898	1.4
91.05495	1.8
93.03413	8.2
95.01334	2.6
95.04970	2.3
98.23043	3.0
106.04212	1.0
107.04963	2.6
108.02089	2.5
110.03649	17.3
111.04443	29.3
115.05476	2.0
121.02863	17.4
121.06493	1.4
122.03637	1.1
125.05985	23.3
126.06207	0.9
131.04913	1.7
133.02884	1.1
133.06488	1.3
137.05988	8.8
138.03127	1.5
143.04912	1.1
144.05708	1.6
145.06483	2.7
147.04381	1.3
147.08057	1.3
151.03889	3.6
151.07568	1.9
153.05458	100.0
154.05835	1.4
159.08081	3.9
161.05934	3.2
165.07037	2.5
167.07053	6.6
167.08424	1.6
175.07527	3.6
177.05640	1.2
178.07820	1.3
179.08560	1.9
181.04968	1.7
181.06482	2.3
187.07541	1.8
191.08563	3.3
194.07204	1.6
195.08060	3.5
196.08775	1.0
197.09624	1.6
198.06763	1.1
207.08075	2.9
207.74014	1.0
208.08823	2.0
209.07820	1.2
209.09654	1.8
210.06766	1.6
211.07524	2.4
216.07794	2.3
217.08575	1.6
218.07317	2.4
219.08066	4.6
221.06017	2.2
223.07526	4.4
224.08311	3.2
225.09126	3.9
226.06265	2.6
234.06857	1.9
235.07654	2.5
236.08347	3.4
237.09201	2.4
238.06235	1.4
239.07002	7.1
239.10667	1.7
240.07674	1.8
247.07481	2.1
247.09659	16.0
249.09138	2.4
251.07048	3.2
251.10716	4.7
252.07693	1.1
253.08549	14.6
254.09431	4.9
261.09021	1.6
263.07108	2.5
264.07883	2.3
265.08517	5.3
266.09329	2.0
267.10208	3.5
268.10956	1.4
269.11710	7.6
270.08847	1.1
275.07007	1.1
276.07855	1.8
277.08533	2.0
279.10165	3.2
281.08112	2.3
281.11887	1.4
282.08871	4.3
283.09641	3.7
289.08350	1.4
293.08167	1.3
294.08716	2.3
295.09653	3.2
296.10352	1.3
297.11163	11.8
298.11423	1.1
299.12729	1.6
307.09671	5.5
308.10223	1.3
309.11096	3.5
310.11826	2.2
321.11111	3.0
322.11816	2.3
325.10672	60.9
326.11298	4.2
327.12219	12.3
337.10748	2.1
339.12219	12.1
340.12665	1.5
341.13724	4.9
353.13553	1.2
355.11890	2.3
357.13293	72.9
358.13525	3.5
369.13269	7.3
387.14343	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	780.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
58.02645	0.9
65.03600	1.3
65.03938	21.0
67.05495	2.5
69.48431	2.3
69.48768	1.9
73.21193	1.0
75.31464	0.9
78.04709	1.5
79.05478	2.3
81.03423	0.9
82.04198	4.9
85.02922	1.4
91.05466	7.9
93.03393	10.7
95.01302	1.9
95.04961	4.6
97.06509	0.9
98.22981	3.0
99.36198	0.9
103.05450	3.7
105.03386	1.6
105.07032	4.8
106.04175	2.1
107.04935	4.3
108.02041	1.5
109.06498	1.0
110.03654	18.3
111.04434	27.3
113.29917	0.8
115.05432	2.4
119.04926	6.6
121.02857	19.9
121.03682	0.7
121.06482	2.3
122.03661	2.0
123.04417	2.6
124.05212	1.0
125.05976	22.3
129.06952	1.5
131.04930	5.2
131.52666	0.9
133.02866	1.6
133.06451	3.3
135.04364	1.1
137.05968	22.1
138.03133	2.8
143.04875	2.5
145.06479	1.9
147.04448	5.1
147.08017	2.8
148.05153	2.2
149.02344	1.4
149.05952	4.1
151.03854	3.5
151.07538	3.9
153.05452	100.0
154.05827	2.7
159.08054	5.6
160.05127	0.9
161.05975	9.9
162.06721	1.6
163.07518	3.0
165.05498	1.6
165.06981	2.7
167.07034	34.8
167.08427	1.4
168.07335	1.6
173.05986	1.7
175.07538	10.0
177.05438	2.2
177.06929	1.1
177.09070	1.1
178.07707	2.0
179.07019	7.6
179.08467	1.9
181.05022	5.9
181.06361	1.4
182.07280	1.4
187.07477	5.4
189.05449	1.2
190.07684	2.0
191.06992	11.2
191.08566	3.5
193.08551	2.5
194.07315	2.7
195.08029	3.1
197.09650	1.4
199.07538	2.7
202.07761	1.4
203.07004	2.8
203.08678	1.8
205.06546	1.6
205.08476	2.5
206.07243	1.9
207.07996	3.3
208.08879	2.2
209.08022	2.8
209.09712	1.8
210.06735	3.1
211.07532	2.9
216.07794	3.6
217.08507	1.4
218.07297	2.3
219.08025	7.2
220.08801	2.8
221.06000	3.7
221.09619	1.8
222.06641	2.4
223.07504	3.7
224.08235	2.6
225.09105	4.8
226.06172	3.3
226.09952	1.1
232.05229	1.1
233.05867	2.0
234.06726	3.2
235.07506	6.5
235.09583	1.3
236.08281	5.2
237.09085	3.3
238.06186	2.5
239.06996	5.0
239.10672	2.4
240.07843	1.5
246.06702	1.8
247.07446	4.9
247.09653	13.2
248.08319	2.7
249.09105	3.9
250.06114	1.3
250.09927	1.3
251.06970	3.3
251.10576	6.0
252.07811	1.1
253.08559	15.7
254.09274	4.7
255.10159	1.3
259.07675	1.4
261.09122	3.5
263.06989	3.2
263.10620	1.8
264.07755	4.5
265.08603	6.3
266.09280	3.0
267.10065	4.8
269.11697	6.1
270.09000	1.1
275.07098	2.4
276.07944	1.4
277.08557	3.2
278.09280	2.3
279.06955	1.5
279.10126	7.4
280.10925	1.0
281.08002	3.3
281.11469	1.4
282.08826	4.4
283.09671	3.5
285.11249	1.6
289.08588	3.3
291.10123	3.4
293.08017	3.9
293.11322	1.2
294.08698	2.8
295.09628	6.0
296.10132	1.4
297.11121	12.4
299.12561	2.0
307.09650	10.4
308.10327	2.6
309.11127	6.3
310.11987	1.3
311.12717	3.4
313.10541	3.5
319.09534	2.9
320.10025	1.1
321.11243	5.4
322.12067	1.9
323.12656	1.3
325.10666	64.0
326.11209	5.6
327.12210	12.2
328.12469	1.2
329.13681	6.2
337.10638	14.0
337.14349	1.8
339.12280	27.4
340.12808	2.5
341.13687	8.1
351.12183	4.0
353.13870	7.2
355.11578	4.0
357.13281	99.1
358.13660	5.2
369.13275	27.1
370.13437	1.2
387.14307	8.5
501.17990	1.2
780.40985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05515	1.1
57.03432	1.6
61.02917	3.9
66.92297	0.3
67.05496	4.8
69.03423	2.6
69.07055	1.8
70.72083	0.3
71.01346	0.4
71.04977	2.8
71.42811	0.4
72.55647	0.3
73.02908	2.5
79.05471	2.9
81.03410	2.2
81.07053	3.6
83.04987	0.6
83.08626	0.7
85.02897	4.1
85.06573	0.3
90.83759	0.3
91.03954	1.8
91.05464	3.2
93.07026	3.3
95.04963	1.6
95.08567	1.5
97.02876	3.0
97.06556	0.9
97.10151	0.4
99.04474	0.8
101.02402	1.3
103.03973	0.4
103.51732	0.3
105.07059	1.3
107.08600	2.0
109.06485	0.4
109.10119	2.4
117.07013	0.9
119.08552	2.0
121.10122	0.8
127.03943	1.2
131.08595	0.6
133.10135	0.8
135.11685	1.5
137.09584	1.5
145.10152	0.8
147.11653	0.5
173.11885	0.5
184.07378	1.1
185.04218	0.6
203.05420	0.6
224.52269	0.3
243.08339	2.2
243.16051	0.5
253.14206	0.8
314.97205	0.3
333.20410	1.7
439.19366	1.6
443.19073	0.6
453.21045	0.8
469.20346	1.1
471.21921	6.3
535.28693	0.6
551.28131	4.0
552.28778	0.4
611.30768	0.6
653.31091	0.7
683.36572	0.5
763.41895	1.2
780.41730	0.4
781.43170	100.0
782.43506	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	781.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80975	0.5
55.01862	1.1
55.05505	1.5
55.64196	0.5
57.03439	2.2
61.02919	5.9
67.05505	6.3
69.03426	4.4
69.07047	2.5
71.04988	3.0
73.02902	3.6
73.27264	0.4
79.05499	4.7
81.03408	2.4
81.07058	5.0
83.04983	1.5
83.08637	1.2
85.02898	5.9
86.09671	0.6
91.03960	3.0
91.05479	3.8
93.07050	4.4
94.07379	0.5
95.04964	1.3
95.08604	2.6
97.02883	4.7
97.06549	1.2
97.10143	0.7
99.04417	0.6
101.02386	2.0
103.03988	1.0
105.07042	2.0
107.04974	0.5
107.08607	2.1
109.06543	0.7
109.10160	3.4
115.03967	0.8
117.07056	1.0
119.08614	2.4
121.10159	1.5
127.03959	1.1
129.07048	0.5
131.08571	1.3
133.10121	1.0
135.11748	2.2
137.09657	1.3
145.10164	1.2
147.11626	0.6
149.13263	0.9
184.07405	0.9
185.04250	0.9
243.08331	3.0
243.16029	0.9
247.83946	0.6
253.14171	0.8
258.08786	0.6
294.89801	0.7
301.09021	0.8
333.20569	1.4
374.65540	0.6
439.19601	1.5
453.21036	1.6
469.20422	1.2
470.21634	0.6
471.21970	7.2
487.22009	0.9
535.28485	1.2
551.28223	3.9
583.69781	0.7
611.30817	1.0
683.35767	1.2
695.34003	0.9
735.39026	2.6
763.42273	1.9
781.43201	100.0
782.43518	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	781.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05588	1.3
57.03264	0.5
57.03517	1.7
58.97664	0.5
59.05081	0.5
61.02673	0.7
61.03008	4.8
65.03999	0.5
66.60342	0.4
67.05202	0.8
67.05595	6.5
69.03525	3.1
69.07136	1.2
70.06675	0.5
71.03992	0.4
71.05077	0.6
73.03015	4.8
79.05602	3.2
81.03520	2.0
81.06638	1.0
81.07167	4.0
83.08707	0.7
85.02464	1.1
85.03020	5.4
91.04074	3.9
91.05599	2.0
93.07170	3.5
95.05023	0.8
95.08731	2.7
96.08249	0.5
97.03018	5.3
99.04519	0.9
101.02526	2.4
105.07191	1.9
106.77407	0.4
107.08123	0.5
107.08752	1.8
109.02972	1.0
109.10297	5.6
115.04080	0.7
119.08725	1.5
121.10236	1.2
127.04072	2.4
131.08711	0.7
133.10272	1.3
135.11839	0.6
136.89227	0.4
138.56291	0.4
138.62454	0.4
147.11859	0.6
173.11929	1.4
184.07541	0.5
195.10062	1.0
198.14206	0.4
203.05434	1.0
229.14526	1.1
243.08447	2.3
335.26007	0.8
371.61328	0.5
403.40836	0.5
413.17703	7.3
490.95370	0.5
507.39465	0.5
519.29126	7.8
691.40204	100.0
692.40540	9.7
695.33051	2.5
717.41864	1.1
763.41339	1.3
781.41937	26.0
782.42236	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	781.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05499	7.9
57.03439	3.1
57.07073	2.7
59.04997	0.9
61.02924	7.6
67.05500	14.7
69.03427	3.5
69.07062	7.5
71.04999	2.3
71.08635	1.4
73.02926	3.9
78.48426	0.9
79.05119	1.0
79.05491	6.7
81.03403	5.1
81.07057	11.8
82.07394	1.6
83.08611	5.3
85.02904	8.1
86.09694	1.5
87.04470	1.6
88.54412	0.8
91.03964	3.7
91.05463	4.6
93.07047	4.7
95.04984	2.7
95.08596	8.0
96.08942	0.9
97.02891	6.5
97.06540	1.7
97.10191	3.2
101.02374	2.0
103.34156	1.0
105.07030	3.3
107.05025	1.4
107.08615	4.4
109.02883	1.7
109.10149	5.5
115.66265	1.2
116.39197	1.0
117.07063	1.1
118.42809	0.9
119.08573	2.5
121.10147	2.6
123.11730	1.2
125.09671	1.2
127.03924	2.2
128.57051	1.0
131.08563	1.2
133.10178	1.0
135.11745	2.3
147.11765	1.5
149.09644	1.2
158.81577	1.0
184.07407	4.2
209.11678	1.3
227.12721	1.4
229.14378	2.3
243.08348	2.2
265.25226	1.1
267.15784	1.9
283.15234	5.4
301.16492	2.0
339.29080	3.9
340.29367	3.8
350.87564	0.9
494.38712	1.2
501.23026	8.0
521.31335	6.6
521.38226	1.8
566.41357	1.6
740.83142	1.1
763.45166	1.1
781.46991	100.0
782.47150	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	783.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48779	0.7
69.77508	2.8
70.25665	0.8
71.29503	0.8
90.19997	0.9
92.26570	0.8
97.62680	0.8
98.22839	1.9
98.23378	1.0
102.64661	0.8
103.05440	0.9
105.07041	2.3
133.06497	2.9
145.02817	2.0
148.69360	0.8
161.05994	1.7
165.09195	1.6
177.05487	1.5
184.05066	3.0
185.05722	0.9
189.05200	7.1
193.08635	3.1
201.05293	2.4
215.06854	1.5
395.10904	6.4
409.12723	1.5
410.13336	5.8
411.14240	2.5
470.02701	0.9
782.43066	1.4
783.26141	100.0
784.26306	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	784.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.8
55.05512	29.8
57.03427	23.1
59.49830	4.9
61.02937	6.4
65.03934	10.8
67.05500	85.8
69.03415	6.8
69.07059	22.6
69.36217	24.4
71.05002	6.4
77.03918	5.3
79.05488	100.0
81.03406	33.3
81.07056	79.3
83.04968	26.2
83.08607	12.0
85.02881	8.2
85.06516	8.7
91.05473	83.1
93.07033	71.1
95.04958	45.5
95.08606	42.7
97.02892	7.6
97.06529	12.9
97.10143	10.1
98.23498	6.1
105.04491	5.7
105.07037	56.7
107.04950	54.7
107.08591	32.7
109.06509	25.5
109.10114	13.4
111.04443	12.4
111.08083	9.0
112.05217	7.7
113.06094	6.2
115.05439	7.5
117.07006	30.9
119.08565	39.9
121.06508	12.6
121.10172	7.6
122.07306	8.3
123.08042	12.9
124.99940	5.8
127.03861	6.5
128.06233	9.7
129.05519	5.7
129.06987	25.2
131.08536	19.7
133.06490	18.3
133.10095	29.1
135.08061	11.3
135.11723	11.5
143.08548	21.5
145.06508	10.7
145.10101	24.3
147.08038	21.9
147.11635	31.3
149.09634	6.0
155.08624	6.2
159.08005	5.7
159.11664	7.2
161.09648	24.6
161.13254	8.1
163.11160	12.0
171.11646	16.4
184.07336	14.6
189.12735	13.0
207.13760	18.4
215.14435	5.6
227.12663	7.9
233.15306	10.2
261.14816	6.3
269.28397	5.6
273.18420	16.2
279.15909	10.8
281.17435	64.6
283.15350	19.1
288.45749	5.6
289.17929	15.3
290.18774	8.8
291.19495	21.0
365.23190	10.1
381.22635	23.5
411.13776	6.4
529.31781	10.1
553.34735	13.0
569.34570	7.8
570.34833	10.0
571.36108	7.9
573.34180	9.8
587.35767	83.9
588.35980	6.8
784.35858	45.3
785.36224	11.0
810.90277	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	784.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	12.9
55.05508	35.2
57.03434	11.6
57.07106	3.4
65.03946	4.1
66.17144	2.8
67.05502	97.0
68.05826	3.2
69.03432	6.1
69.07066	41.7
71.04970	12.8
73.06562	6.0
77.03938	2.5
79.05485	100.0
81.03414	21.5
81.07053	97.8
83.04985	17.0
83.08585	13.7
85.02917	6.4
85.06548	6.2
86.09699	7.0
91.05472	83.7
93.07040	88.8
95.04958	35.4
95.08599	50.0
95.69724	2.9
97.02893	6.7
97.06541	23.9
97.10155	6.0
99.08099	6.4
100.47962	2.7
103.05480	2.9
105.04523	10.9
105.07021	69.8
107.04950	16.9
107.08586	37.4
109.02903	2.4
109.06532	12.8
109.10162	12.2
111.08085	7.0
117.07011	22.1
119.08574	41.8
121.06528	6.9
121.10147	15.4
123.08074	6.8
123.11732	2.8
124.99986	4.3
125.09653	4.6
128.06212	3.0
129.06996	23.5
131.08556	25.1
133.10129	25.2
135.08051	4.4
135.11685	11.7
143.08557	10.0
145.06471	3.1
145.10110	27.1
147.08057	5.9
147.11668	39.6
149.09616	14.4
149.13271	8.8
157.10133	3.9
159.11688	10.7
161.09634	4.9
161.13216	16.2
163.11163	12.3
169.10118	3.4
171.11670	25.1
173.04509	4.2
173.13225	5.2
177.12735	3.5
179.14281	5.3
184.07312	20.9
189.11212	3.5
189.12776	8.9
205.68738	2.7
207.13792	24.2
227.12778	5.4
239.18056	5.2
251.05827	3.2
257.19061	11.4
269.17200	3.1
275.20026	41.3
281.17444	58.2
293.21286	3.8
331.22513	2.8
349.23782	24.0
424.37637	2.9
435.27444	3.7
461.28848	17.4
475.30524	74.9
476.30795	5.7
545.38184	3.5
555.36774	50.2
556.36719	5.0
573.37793	6.6
587.39093	3.8
619.34753	7.7
694.41058	3.2
784.45703	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	784.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.05031	0.8
65.84663	0.3
67.05503	1.4
69.07059	1.3
69.18468	0.7
69.18874	1.3
71.08627	1.1
79.05486	1.4
81.07043	1.4
86.09697	100.0
87.10028	1.3
91.05481	1.9
93.07030	1.4
95.04923	0.5
95.08578	0.8
97.06476	0.4
98.09673	1.3
103.05447	0.9
105.07026	1.8
107.08614	0.7
108.40251	0.3
109.10138	0.8
112.11228	6.4
117.06944	0.6
119.08513	0.5
119.93110	0.3
120.08093	42.3
121.08439	0.6
123.08025	0.3
131.08565	0.7
132.08112	0.5
133.10103	1.2
146.09639	1.9
151.11168	0.5
154.15894	19.7
155.16232	0.6
157.13350	10.4
161.09677	0.5
175.11156	0.3
185.12836	13.7
188.14328	7.0
191.11760	0.4
199.18031	16.1
200.18358	0.5
209.16452	0.5
211.17822	0.3
219.11264	1.4
223.13104	0.4
225.19598	7.4
227.17526	14.0
233.16467	14.9
237.16037	0.4
243.14867	0.7
253.14314	1.4
253.19078	7.5
255.17200	0.4
259.18008	2.5
261.15967	14.8
265.42807	0.3
267.24289	7.2
271.14261	0.6
277.22678	0.6
278.18903	0.4
280.20056	0.4
287.17435	3.0
295.23770	3.8
298.21240	8.5
301.19440	0.6
301.22708	8.1
301.73569	0.3
311.20892	0.4
322.24780	0.6
329.22183	4.3
332.19647	5.5
340.25943	3.6
356.23132	0.4
366.27380	2.3
374.24319	4.6
383.30157	1.6
400.25919	2.9
408.32144	1.0
411.24606	0.3
411.29587	5.2
417.28540	1.6
425.34860	0.5
442.30560	2.2
445.28098	4.9
453.34317	0.6
455.26010	0.4
459.33014	1.7
462.31009	0.4
479.35580	2.0
485.34756	0.4
487.33145	2.5
496.38284	0.9
513.34222	4.6
515.32361	0.4
524.38055	4.6
527.39117	0.4
530.36780	2.8
555.38983	2.1
558.36426	10.0
558.96460	0.4
559.36304	1.0
572.40906	0.5
587.35577	0.6
592.44110	2.0
598.42249	0.4
600.40680	1.3
609.46399	0.4
626.33154	0.5
626.42633	7.3
627.42560	0.5
637.46143	1.9
643.36151	0.4
643.45398	5.8
644.45337	0.4
653.43213	1.1
668.47144	0.9
671.44812	15.8
672.44672	1.3
713.48297	0.6
739.51184	3.4
756.53790	5.6
757.53247	0.5
766.51385	1.9
784.53302	7.7
785.52271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36893	0.5
66.32431	0.5
70.28430	1.2
78.23692	0.5
90.71806	0.4
117.03394	0.7
137.05998	1.0
145.02890	1.1
169.15059	0.6
177.05495	2.2
189.05269	1.5
208.03738	0.6
394.14096	0.7
539.16547	0.6
543.16119	1.9
555.16101	2.4
557.17975	0.6
558.19116	0.8
559.19507	1.8
569.17603	0.7
571.19464	0.9
573.16937	5.1
587.19397	1.5
588.19745	4.1
589.20331	1.3
664.05255	0.5
755.26141	0.7
785.27667	100.0
786.27954	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	785.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19271	2.0
69.19669	0.8
73.59184	0.5
105.06996	0.6
117.03385	2.0
131.04950	0.6
137.05927	0.7
145.02837	3.0
149.05923	0.6
161.06009	0.7
175.03879	0.9
177.05453	4.5
189.05310	1.0
201.05331	0.7
216.79443	0.5
222.75781	0.5
249.07672	1.5
298.12845	0.6
343.29172	0.5
466.12708	0.6
508.88651	0.5
539.16119	0.6
541.18195	1.2
543.16467	2.1
555.15918	2.8
557.17902	1.2
558.18701	0.7
559.19604	0.9
573.17169	6.0
587.19025	1.6
588.19519	4.2
589.20337	1.1
601.10736	0.7
785.27667	100.0
786.27979	10.0
795.34949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56223	0.6
67.61275	0.6
82.28204	0.7
98.11467	0.6
102.25812	0.6
116.20035	0.6
116.35185	0.6
119.86977	0.6
125.83964	0.6
137.05940	2.1
146.03329	1.7
153.01755	1.1
161.05963	1.0
167.06992	1.0
175.03641	0.9
176.04376	1.3
177.05162	1.0
189.05194	0.9
227.06773	1.1
245.07834	2.5
249.07140	1.4
279.06339	1.7
294.08572	10.4
295.09177	1.0
325.10425	88.5
326.10764	3.1
343.11609	1.6
361.10394	4.4
365.09970	1.5
366.13113	2.1
377.09921	2.8
379.11438	1.2
380.12225	3.1
381.13177	1.8
392.12173	8.2
393.13086	0.8
395.11011	8.1
409.12335	1.1
410.07797	1.3
410.13318	36.1
411.13968	7.4
483.16217	100.0
484.16708	5.2
688.27411	0.8
767.01709	0.8
785.27594	44.5
786.27679	3.4
801.17798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.1
55.05507	19.6
56.64886	0.9
57.03433	11.3
57.07069	1.0
59.04993	3.4
61.02922	2.8
63.48084	1.1
64.79218	1.1
65.03922	1.1
67.05498	19.0
69.03408	1.2
69.07069	4.6
71.04983	4.3
71.42803	1.0
77.03919	1.3
79.05484	24.9
81.03407	13.1
81.07048	22.5
82.25620	1.0
83.01334	7.5
83.04973	12.9
83.08612	15.7
85.02895	5.5
85.06577	1.2
91.05468	16.4
93.07034	25.2
95.04966	9.1
95.08583	7.8
97.02883	2.6
97.06538	4.7
97.10172	5.7
99.04454	3.5
99.08074	1.1
103.05470	1.3
105.07017	10.6
107.04934	9.3
107.08573	15.8
109.06506	7.3
109.10142	4.8
111.04421	7.1
111.08097	3.8
115.05393	1.2
117.07030	8.7
119.08578	16.7
121.06477	4.3
121.10126	8.3
123.08054	10.8
125.05972	2.0
125.09624	4.6
128.06209	1.3
128.62247	0.9
129.07008	3.0
130.07809	1.4
130.37921	0.9
131.08574	9.7
133.06496	1.3
133.10130	3.7
135.08032	5.2
135.11685	14.5
137.09563	4.8
139.07556	1.3
143.08560	3.9
145.06470	2.1
145.10107	20.9
147.08022	4.8
149.09592	1.8
151.11261	1.1
153.09091	1.7
153.12726	5.2
155.08565	2.3
157.10109	1.6
159.08047	4.3
161.09555	1.6
163.07562	2.4
163.11154	30.9
163.12422	2.1
171.11769	1.2
173.09604	5.6
181.12202	6.8
189.11250	2.8
191.10666	4.2
209.11726	11.5
209.39667	0.9
227.12743	13.7
261.18613	1.0
271.16888	4.0
273.18399	2.8
283.15363	100.0
284.15839	3.8
289.17950	9.4
299.14905	3.3
307.19080	6.5
335.87436	1.0
347.22385	1.2
363.21506	2.7
381.22696	17.1
436.13632	1.0
453.24594	1.1
491.26352	68.4
492.26633	4.2
571.32367	8.0
589.33606	29.8
590.33881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	16.3
55.05505	29.4
57.03437	12.5
57.07063	2.9
59.04990	3.6
61.02917	2.4
65.03930	6.1
67.05496	100.0
69.03413	6.7
69.07060	40.4
69.12672	8.2
71.01339	1.6
71.04977	6.8
77.03916	3.8
79.05483	95.1
81.03407	19.7
81.07048	76.4
83.04978	20.8
83.08610	15.4
85.02893	5.7
85.06518	7.0
86.09700	2.2
91.05470	84.3
93.07034	89.4
95.04962	33.1
95.08020	2.9
95.08598	48.5
97.02870	6.1
97.06522	26.4
97.10142	9.5
99.04432	2.7
103.05466	1.9
105.04508	5.8
105.07019	70.3
106.07323	1.7
107.04943	16.5
107.08582	32.2
109.02874	1.8
109.06522	12.0
109.10139	27.5
111.04436	3.9
111.08058	5.2
115.05430	2.7
117.07003	19.5
119.08569	45.8
121.06493	8.1
121.10119	15.4
123.08075	8.7
123.11692	2.8
125.09607	5.5
127.03864	2.2
128.06201	4.1
129.05486	1.7
129.06995	20.6
131.08566	16.7
133.06450	2.0
133.10110	29.5
135.08034	5.3
135.11691	11.7
137.09602	14.2
141.06985	2.2
143.08549	8.9
145.10110	27.0
147.08018	4.7
147.11674	40.7
149.09567	17.8
149.13298	3.9
151.11168	4.1
153.12636	1.8
155.08521	2.1
157.10126	4.7
159.11668	12.3
161.09592	5.8
161.13245	15.3
163.11176	19.5
169.10127	2.0
171.10359	1.3
171.11655	30.1
173.11713	7.2
173.13239	5.2
175.11131	2.2
177.12704	3.7
179.10652	2.2
179.14290	4.2
183.11664	2.1
184.07341	5.5
187.11200	2.3
189.11172	2.6
189.12701	13.5
201.12759	1.7
207.13774	22.3
223.13211	3.1
227.12732	8.0
229.14339	6.5
229.19450	2.3
239.17850	4.0
253.14195	2.1
257.18967	7.1
267.15945	3.4
273.18454	4.0
275.20038	36.5
279.15964	2.4
281.17426	52.9
282.17798	1.9
283.15390	13.0
291.19510	6.0
293.21158	3.8
315.17920	5.2
331.22220	1.7
349.23611	31.0
350.23999	2.8
365.23218	3.2
377.23071	3.2
418.97534	1.8
435.27365	28.4
449.28711	2.9
459.30869	3.1
475.30508	3.3
477.28149	2.9
488.42615	1.9
537.35565	2.1
539.33453	7.4
555.36743	41.4
556.36523	2.1
557.34692	12.9
571.36133	4.0
573.37653	4.9
589.37390	19.1
763.07324	1.7
787.36346	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	787.2926
Annotation	Sarmentosumin D
Peak:m/z	Relative Intensity
66.29517	1.1
72.72895	1.7
83.15726	1.2
99.49768	1.4
115.35323	1.1
123.14473	1.3
137.06010	3.6
153.01917	1.9
167.07028	2.8
202.06097	1.4
245.37843	1.4
268.93954	1.3
307.09799	1.6
333.91904	1.4
352.20184	1.4
380.40927	1.3
397.12686	1.6
404.92010	1.3
431.31860	1.6
485.18170	2.1
557.18011	1.7
575.18884	3.0
590.21503	2.3
635.44501	1.5
787.29150	100.0
788.29553	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	787.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
65.03933	0.8
67.05503	1.5
68.11617	0.5
70.54552	1.3
79.05489	1.4
81.03431	2.8
81.07050	1.0
85.02905	0.8
91.05506	2.0
92.05004	0.7
93.05804	1.2
93.07057	1.9
94.06570	4.7
96.08131	2.4
97.02909	1.0
105.07067	0.9
106.06561	1.1
107.07391	0.8
107.08561	0.6
108.04526	1.7
108.08112	8.3
109.02906	1.1
110.09673	3.2
110.34044	0.6
118.06535	1.1
120.04492	2.7
120.08116	4.4
122.06022	5.2
122.09686	2.1
124.07619	1.9
132.08090	0.6
134.06023	0.7
136.07558	7.5
138.09132	4.2
139.27609	0.6
144.04448	1.5
144.08180	0.6
146.06001	6.8
148.07608	2.9
150.09143	1.3
160.03989	1.8
162.05583	1.3
164.07037	0.8
166.08676	2.9
172.03938	5.4
172.07483	0.9
174.05544	1.9
176.07144	1.5
182.09612	1.0
183.09190	0.7
184.09883	0.7
186.05528	1.0
188.07303	0.6
190.04932	5.8
192.16342	0.6
197.10803	1.4
199.12341	1.3
209.10815	0.8
210.09177	1.2
211.08786	1.1
211.12448	0.8
212.09358	1.0
223.08778	0.9
224.09366	0.8
225.10217	5.8
226.10878	1.0
227.11772	8.1
235.08847	0.6
236.09358	1.0
237.10204	4.0
238.11171	0.8
239.11842	1.7
241.09760	0.8
241.13423	1.2
249.10225	0.8
251.08279	0.8
251.11917	2.9
253.09688	3.1
255.11375	2.7
263.08231	1.5
264.09006	1.9
265.09796	2.3
267.11258	2.9
269.12946	2.6
271.10858	2.9
273.12488	1.3
277.09915	1.3
279.11246	4.5
281.12888	1.4
283.10965	1.7
285.12396	1.1
286.48343	0.7
291.11435	0.9
293.13132	0.7
295.10925	1.2
297.12515	2.4
299.14233	0.9
302.13080	0.8
307.10828	2.5
313.12320	1.3
314.12912	1.3
315.13876	1.2
316.14532	1.1
317.15353	0.8
323.10098	1.0
325.11920	1.9
327.13889	1.8
328.10886	1.1
328.14548	1.9
329.11713	1.8
329.15244	1.4
330.12552	1.1
330.16162	1.5
339.13611	1.0
340.14566	0.8
341.11594	0.9
342.12445	4.0
342.16055	1.4
343.13138	3.6
344.13998	2.1
348.38290	0.7
352.14557	1.1
354.16196	1.6
355.13098	1.5
355.17157	0.7
356.13904	3.2
357.14877	2.1
358.15533	4.0
366.16165	1.0
367.13306	1.0
369.14761	1.0
370.15659	3.3
372.17288	1.3
380.13971	1.2
382.12027	1.8
384.13315	1.1
386.15048	2.7
387.15659	1.1
388.16647	1.2
394.15387	0.8
397.14267	0.9
398.14893	7.5
399.15723	4.9
400.16669	2.9
402.14319	1.0
412.16476	1.0
414.18210	2.1
416.16141	2.7
417.16940	1.5
430.18106	0.9
431.18683	0.8
437.87234	0.8
440.16168	2.3
458.17151	2.3
460.18707	0.7
500.18539	1.8
523.23071	0.9
534.22546	1.1
542.19379	1.3
548.20447	1.0
554.19464	1.3
558.22064	0.8
560.20038	3.7
566.19543	1.1
572.19965	1.4
584.20245	2.4
590.21387	2.0
592.22479	0.8
593.23743	1.3
602.21515	6.3
603.21930	0.9
653.25708	1.2
685.28955	0.9
691.27228	1.5
709.28528	1.7
711.29852	3.4
713.28235	7.6
714.28223	0.9
719.27002	2.2
727.29211	4.1
737.27869	5.6
755.29108	100.0
756.29333	8.7
756.92676	0.9
787.31989	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	787.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	16.3
55.05257	3.3
55.05507	46.9
57.03434	17.1
57.07070	4.6
57.33758	2.3
61.02921	19.4
65.03936	15.5
67.05497	100.0
69.03423	26.3
69.07061	35.4
69.63884	5.8
69.64273	4.4
71.04980	8.4
73.02907	7.2
79.05486	78.8
79.29735	2.7
80.05806	2.7
81.03410	31.2
81.07050	95.7
82.07361	2.7
83.04974	17.0
83.08619	24.0
85.02898	23.2
85.06510	5.0
86.09702	4.2
90.51186	2.2
91.03946	5.6
91.05469	83.0
92.05795	3.5
93.07036	75.8
95.04962	26.2
95.08591	60.4
97.02879	24.5
97.06534	18.1
97.10154	10.2
98.23407	4.1
99.04445	5.9
102.80174	2.2
103.05436	2.9
105.04498	4.7
105.07017	81.5
107.04954	13.1
107.07924	3.8
107.08588	42.1
109.02853	6.5
109.06494	9.2
109.10147	27.6
111.04514	2.4
111.08080	7.5
115.05418	5.6
117.07011	32.7
119.08562	60.2
119.51334	2.8
121.06504	8.3
121.10150	26.7
123.08069	8.5
123.11674	7.8
124.99973	4.2
125.09644	8.9
127.03891	7.4
128.06187	7.8
129.05447	4.0
129.06973	23.8
130.07805	4.5
131.07605	1.9
131.08551	48.4
133.06470	4.2
133.10106	41.9
135.08035	5.4
135.11664	14.0
137.09590	8.3
139.03891	4.3
141.06969	8.9
142.07764	7.6
143.08560	27.7
144.09399	2.5
145.06450	3.5
145.10106	41.1
147.08008	3.6
147.11668	33.8
149.02342	98.5
149.03462	10.5
149.09625	9.3
149.13281	10.6
150.02657	21.4
151.11188	4.0
153.07013	5.9
154.07832	3.3
155.08505	20.9
157.10095	23.5
159.08115	5.9
159.11673	25.1
161.09639	5.9
161.13261	15.2
163.11180	6.0
163.14667	2.3
165.12808	5.1
167.08565	12.6
168.09332	3.6
169.10092	20.4
171.08009	2.8
171.11664	21.1
173.04442	7.5
173.09575	4.1
173.11905	3.4
173.13213	13.8
175.11151	4.8
175.14780	7.0
177.12701	5.3
178.07707	2.9
179.08527	5.7
181.10144	11.1
183.11670	18.3
184.07329	12.1
185.09621	3.8
185.13235	17.4
187.11172	6.2
187.13145	2.4
187.14766	6.1
189.11130	3.9
189.12692	3.4
193.04938	89.2
193.10088	6.5
194.05269	31.8
195.11708	11.9
195.13480	3.3
197.13239	16.3
199.11238	4.3
199.14792	12.4
201.16318	2.5
204.89847	2.5
207.11676	3.9
209.13286	9.0
211.11188	4.0
211.14803	9.3
213.12730	3.3
213.16344	6.9
215.18050	3.9
217.15729	2.6
221.13208	6.9
223.14835	7.1
225.12708	3.1
225.16318	4.3
227.12630	3.2
227.17897	3.3
229.14366	5.3
235.14867	5.3
237.16328	6.8
239.17943	5.8
241.19539	4.8
248.48799	2.4
249.16557	2.5
251.17731	4.1
257.18939	7.7
259.20520	17.5
261.22125	3.4
267.15845	8.7
273.18491	3.2
275.20108	16.3
277.21561	2.5
295.20758	2.5
301.21664	3.6
313.21332	4.6
315.23224	2.7
325.21561	3.2
333.24274	11.4
335.26099	5.8
341.06628	3.6
349.23660	9.1
367.22794	4.3
386.09296	2.8
421.30765	3.8
513.35510	21.4
515.37225	5.9
525.35748	3.2
527.37512	14.8
533.39600	7.4
543.36414	3.2
551.40454	7.1
589.42755	4.5
597.44867	3.4
607.43573	49.4
608.43909	4.0
625.44446	81.8
626.44708	5.2
653.39948	4.7
671.42242	3.5
689.42371	4.0
769.47632	7.9
770.17932	33.9
771.17523	5.6
787.46375	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	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
55.05506	24.0
57.03433	4.6
57.07067	3.4
57.24263	1.7
61.02926	4.8
63.98201	1.8
67.05495	49.7
68.55070	1.9
69.03432	2.9
69.07047	13.7
69.15199	1.9
71.04987	4.0
79.05480	39.2
81.03441	3.2
81.06570	2.6
81.07047	51.7
83.08607	6.3
85.02905	3.5
85.06532	2.1
91.05466	43.9
93.07030	42.5
93.65623	1.7
95.04961	8.9
95.08594	34.6
96.08949	1.9
97.02853	3.5
97.06551	4.4
97.10179	3.3
100.70124	2.2
105.03441	2.0
105.07014	39.2
107.04948	3.2
107.08580	20.8
109.06474	5.0
109.10133	10.1
111.08028	3.8
115.05431	6.2
116.06228	2.6
117.07008	28.4
119.08561	25.7
121.06514	4.7
121.10151	12.2
123.08064	3.8
123.11683	3.2
128.06215	12.5
129.06998	15.7
130.07817	5.8
131.08551	42.1
133.06480	6.4
133.10118	14.6
135.08046	5.0
135.11694	6.9
141.06960	6.9
142.07788	3.4
143.08534	39.7
145.10101	46.8
147.08047	5.8
147.11690	8.0
149.13240	4.2
152.41185	1.9
155.08519	5.1
157.10152	15.0
159.08144	2.6
159.11641	12.7
161.09616	9.2
161.13181	2.7
163.11108	3.2
165.07005	3.1
165.85809	1.9
169.10071	9.9
171.11653	10.9
173.09598	2.6
173.13261	3.6
175.11226	4.1
177.12859	2.5
181.10146	7.1
183.11693	6.6
184.07388	2.4
185.13300	5.4
195.11716	16.2
206.75354	2.1
209.13153	2.7
237.16405	10.9
241.14497	2.7
245.18933	3.1
255.17430	16.4
261.22006	2.8
273.18451	45.2
277.50491	2.0
329.21170	3.5
333.23965	2.1
335.25729	100.0
336.26041	3.7
347.22073	24.6
390.87744	2.1
402.51202	2.2
510.97525	2.8
561.37640	3.5
607.43469	35.7
625.44171	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	20.4
55.05507	48.1
57.03429	13.4
57.07064	5.9
57.78242	2.7
61.02924	11.8
65.03933	5.7
67.05500	100.0
69.03423	17.1
69.07064	31.6
71.05000	8.0
73.02908	7.3
77.03925	3.1
79.05486	61.3
81.03400	19.1
81.07053	86.5
83.04986	8.8
83.08618	16.2
85.02892	20.1
85.06547	5.2
86.09688	4.1
91.03948	9.3
91.05468	58.2
93.07034	58.9
95.04974	18.4
95.08598	55.3
97.02891	13.5
97.06535	16.4
97.10165	12.2
103.05494	4.2
105.04488	4.5
105.07017	59.9
107.04983	10.9
107.08590	40.3
109.02878	5.9
109.06509	8.9
109.10140	29.6
111.08078	5.1
115.05450	9.2
117.07005	25.8
119.08565	44.5
121.06505	7.1
121.10126	22.2
123.08059	6.2
123.11724	8.2
125.09662	6.5
127.03893	4.4
128.06229	6.6
129.06984	23.7
131.08562	37.1
133.10092	35.5
133.10866	3.1
135.07976	6.4
135.11716	14.3
137.09610	5.6
141.06989	12.1
142.07761	5.9
143.08534	23.1
145.06482	4.8
145.10121	28.2
147.08038	5.8
147.11674	18.3
149.09563	9.1
149.13272	12.0
153.07030	4.5
155.08530	17.7
157.10112	17.0
159.11653	23.7
161.09645	6.0
161.13321	11.2
163.11197	4.6
165.12717	4.0
167.08626	7.2
169.10129	13.5
171.07953	4.7
171.11667	23.5
173.04428	6.4
173.11815	5.2
173.13269	18.1
175.11261	7.0
177.12787	4.1
179.08571	4.2
179.14261	4.0
181.10135	17.1
183.11641	15.2
184.07243	6.0
185.13243	18.4
187.14813	6.7
189.11313	4.1
189.12946	4.1
193.10060	4.3
195.11720	11.7
197.09651	3.2
197.11609	3.4
197.13304	13.8
199.14854	9.3
201.16312	3.5
207.11700	7.7
209.13272	9.1
211.14851	8.4
213.16364	8.3
221.13280	4.9
223.14923	5.0
225.16301	4.9
227.12701	5.7
229.14273	11.5
231.17183	3.4
237.16397	5.7
239.17857	3.7
241.19548	3.9
249.16374	4.7
257.18942	5.0
259.20584	10.1
275.20114	20.1
277.21494	3.5
291.19601	4.1
309.22171	4.5
333.24313	9.2
335.25879	6.4
336.26086	5.7
349.23578	7.6
372.53119	3.9
379.29999	4.7
422.05481	3.4
495.34454	4.6
513.35443	15.6
515.37842	6.6
527.37061	9.1
533.39496	5.4
538.77423	3.9
543.36047	4.5
551.41010	6.0
591.44409	4.8
607.43481	54.7
608.43396	3.7
609.45300	29.2
625.44574	94.3
626.44525	7.0
752.88080	3.6
769.48309	4.1
787.49579	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90841	1.2
55.01872	17.2
55.05508	25.7
57.03432	12.7
57.07074	3.6
57.17333	1.2
59.05007	1.9
59.86994	1.3
61.02932	2.8
65.03935	6.0
67.05500	71.6
68.05838	3.3
69.03413	1.9
69.07062	37.4
71.04984	3.2
73.02921	1.5
77.03912	1.9
79.05486	57.2
80.05854	2.1
81.03403	9.1
81.07052	69.6
82.07406	2.3
83.04983	9.4
83.08611	13.9
85.02899	2.8
85.06538	2.4
91.05470	87.1
92.05814	2.2
93.06444	2.8
93.07036	57.7
94.07378	1.7
95.01324	6.7
95.04965	18.8
95.08598	42.9
96.08932	1.8
97.02879	3.1
97.06524	34.0
97.10179	5.5
99.08083	2.2
103.05435	3.2
105.04507	4.2
105.07021	100.0
106.07372	2.3
107.04946	19.3
107.08585	31.0
107.09254	2.2
109.06504	8.0
109.10160	21.3
110.10485	2.6
111.08079	4.3
113.09631	1.5
115.05436	2.9
117.07008	22.6
119.08572	62.9
119.09419	3.1
120.08854	2.0
121.06491	4.9
121.10137	16.1
123.04416	2.6
123.08070	5.6
123.11719	4.0
125.09613	2.5
128.06197	2.8
129.06990	10.5
130.07796	1.9
131.08548	31.4
131.09465	2.5
133.06491	2.1
133.10120	53.1
134.10410	1.5
135.08043	4.5
135.11696	11.5
136.12035	1.7
137.09587	3.5
139.07538	1.9
141.06992	3.8
143.08562	12.6
145.06485	4.6
145.10110	24.6
147.08044	1.5
147.11668	30.9
149.09599	7.4
149.13222	7.7
152.67651	1.4
155.08514	2.9
157.10135	9.2
159.11673	18.1
161.13248	15.2
163.11157	5.2
163.14801	2.1
165.09134	2.0
167.08603	2.0
169.10086	7.3
171.11624	12.5
172.96931	1.4
173.11766	2.4
173.13254	9.6
175.11163	2.1
175.14827	6.9
177.12761	5.4
179.14273	11.0
181.10179	1.5
183.11665	5.9
184.07289	2.5
185.13210	7.7
187.11194	2.8
187.14807	3.9
197.13374	1.8
199.14883	3.3
201.16327	1.9
205.12236	1.7
209.13345	1.5
213.16383	2.1
215.17850	1.8
217.19554	2.1
229.14262	6.9
230.14566	2.8
239.17963	3.1
241.19394	13.2
243.21051	1.3
247.20587	1.7
257.18921	7.9
259.20541	22.6
261.22153	1.6
273.18463	3.4
275.20038	65.9
276.20456	2.1
277.21826	2.6
279.15933	1.7
293.21140	2.9
297.16858	1.9
315.23184	8.9
324.33279	1.4
333.24200	33.9
335.25732	6.9
336.26123	5.8
349.23749	30.5
447.27484	1.7
490.35858	3.0
513.36023	1.7
532.75208	1.5
533.39575	1.7
607.43469	47.2
608.44061	3.3
625.44836	9.3
787.48083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.9
55.05503	22.5
57.03432	14.2
57.07081	1.3
59.04992	3.2
61.02921	2.8
65.03936	2.6
67.05495	25.4
68.05820	0.7
69.03419	4.9
69.07056	9.0
71.01321	0.9
71.04980	6.1
72.89175	0.6
73.02901	0.9
75.89365	0.6
77.03949	0.7
79.05482	34.3
81.03408	51.5
81.07045	34.1
83.01332	5.1
83.04975	22.8
83.08610	24.5
85.02895	19.3
85.06541	2.8
91.03957	0.8
91.05038	0.5
91.05470	31.0
93.07034	31.2
95.04957	24.4
95.08595	11.5
97.02870	6.5
97.06519	6.6
97.10148	9.0
98.77100	0.6
99.04455	3.3
99.08100	1.6
103.05454	0.8
105.04512	1.5
105.07017	21.8
105.07726	1.0
107.04937	10.3
107.08578	18.2
109.02883	1.0
109.06505	9.9
109.10143	6.3
111.04446	7.9
111.08067	8.9
113.06014	1.8
115.05460	2.2
117.07011	7.7
117.64133	0.6
119.04934	0.7
119.08567	23.2
121.06499	5.2
121.10126	11.8
123.04471	0.9
123.08056	7.4
123.11702	1.0
125.05982	1.2
125.09624	6.0
127.03900	0.7
127.07572	1.0
128.06232	1.1
129.06978	9.2
130.07776	1.2
131.08548	12.3
132.05702	0.7
133.06506	3.3
133.10114	9.9
135.04338	0.7
135.08029	6.0
135.11678	10.7
137.05959	1.1
137.09601	4.2
142.07765	2.5
143.08553	1.5
145.06465	2.8
145.10107	14.7
147.08037	5.1
147.11681	12.1
149.09586	6.4
151.07526	0.6
151.11249	1.0
152.23000	0.6
153.09062	1.1
153.12704	4.5
155.08528	2.1
157.10100	11.2
159.08054	5.2
159.11641	0.9
161.09636	1.5
163.07495	2.2
163.11166	21.8
165.12752	2.3
170.22449	0.7
173.09593	3.9
175.11169	10.6
177.09047	0.9
181.12225	5.1
183.11736	0.8
189.11176	3.1
191.10638	4.3
193.12212	29.6
194.12555	0.9
201.12981	0.7
209.11665	7.0
211.13260	42.5
212.13634	0.7
227.12752	11.4
228.13266	0.8
228.84653	0.8
243.17322	0.7
249.14999	0.9
253.16167	0.8
254.14900	0.8
261.18484	1.5
267.15872	16.7
271.16962	3.2
273.18378	0.7
283.15359	27.9
284.15826	1.0
285.16913	42.5
286.17191	1.5
289.17929	12.5
289.43839	0.7
290.18320	1.0
307.18997	6.9
345.20627	1.2
363.21570	5.2
381.22647	20.2
381.27347	1.2
382.22723	1.0
383.22165	2.0
401.23157	1.0
457.25684	4.2
475.26843	25.5
476.27490	1.2
493.27890	100.0
494.28207	5.5
537.31299	1.0
555.33191	4.6
573.34186	13.0
591.35199	24.8
592.35840	1.3
803.91980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	13.8
55.05505	47.6
57.03433	26.7
58.91451	1.7
59.04992	3.0
61.02914	4.8
65.03928	6.0
67.05499	59.0
69.03428	12.3
69.06718	1.9
69.07064	28.6
69.76781	1.7
69.96675	5.9
71.04987	9.9
73.02895	5.1
77.03900	2.2
78.04686	1.9
79.05486	100.0
81.03411	57.8
81.07049	65.6
81.54711	1.7
83.04973	24.1
83.08606	32.6
84.36890	1.7
84.50005	1.8
85.02901	23.2
85.06518	4.8
91.05472	99.8
93.07034	51.6
95.04958	38.4
95.08601	25.4
97.02881	8.4
97.06525	27.8
97.10160	28.1
99.04436	4.2
99.08101	3.4
103.05472	3.4
105.04511	6.1
105.07020	48.0
107.04945	18.9
107.08583	57.9
109.02864	3.2
109.06512	20.7
109.10147	17.8
111.04430	7.8
111.08074	15.0
113.05974	3.2
115.05446	6.1
115.07559	6.3
117.07011	26.6
119.04916	2.1
119.06100	2.2
119.08567	64.0
121.06458	13.1
121.10130	15.1
122.94962	1.6
123.08040	10.5
125.09604	20.4
127.63630	1.7
128.06226	5.9
129.06992	16.1
131.08549	30.1
133.06470	6.1
133.10110	30.7
135.08035	32.0
135.11678	7.1
137.05997	2.0
137.09615	3.7
137.44836	2.1
141.07010	4.2
142.07735	3.1
143.08530	12.9
145.06479	7.4
145.10132	21.7
147.08032	16.4
147.11681	10.4
149.09602	9.3
151.11119	4.6
153.09062	3.3
153.12851	1.8
155.08528	2.6
156.35803	2.0
157.10118	20.5
159.08041	6.2
159.11635	5.0
161.09610	7.1
163.07491	3.4
163.11148	11.4
165.12651	3.1
169.10065	4.9
171.11635	4.5
173.09581	4.3
173.13274	3.1
175.11137	14.5
179.10587	3.5
181.10098	2.1
183.11636	2.7
185.05882	2.0
185.13251	2.6
189.11195	14.2
193.12218	46.2
195.11708	2.8
197.90085	2.0
201.12785	2.1
209.11598	3.8
211.13254	48.6
215.14313	2.3
217.15909	2.8
219.13745	2.5
227.12715	22.4
233.15372	2.0
237.16409	2.9
245.13826	5.9
251.12659	2.4
253.14319	7.2
255.17511	2.3
261.18411	2.6
267.15884	22.6
269.17462	3.7
271.16873	10.1
273.18518	13.2
283.15393	23.5
285.16940	40.8
286.17178	2.0
289.17972	21.1
291.19525	4.2
299.15106	2.6
307.18909	8.4
347.22107	6.4
363.21634	9.2
365.23285	4.3
381.22681	26.8
393.60052	2.2
463.27826	2.5
475.26642	2.5
477.28360	7.3
493.27991	3.7
499.30246	2.1
506.37039	2.1
555.33087	14.7
556.33319	3.0
573.34253	29.7
591.35168	51.5
592.34857	2.6
758.59882	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	30.4
55.05508	68.8
57.03435	24.4
57.07067	3.2
59.04988	7.2
61.02924	11.6
65.03936	5.7
67.05499	100.0
69.03419	12.3
69.07061	81.7
71.01347	5.2
71.04987	11.7
73.02901	5.0
77.03921	3.2
79.05486	87.6
81.03412	30.6
81.07052	93.3
83.01344	13.2
83.04974	30.7
83.08614	29.8
85.02888	21.2
85.06533	5.4
91.03980	2.6
91.05472	79.9
93.06442	4.2
93.07038	83.4
95.04958	38.9
95.08598	46.9
97.02888	14.9
97.06529	27.0
97.10176	16.2
99.04465	5.7
99.08064	2.3
103.05458	3.1
105.04506	5.3
105.07020	56.3
107.04967	20.5
107.07911	4.6
107.08587	47.5
109.02825	2.6
109.05841	2.4
109.06522	14.4
109.10136	34.3
110.79607	2.0
111.04369	3.3
111.08081	10.2
115.05453	3.5
116.04723	3.3
117.07020	31.2
119.08573	47.6
121.06496	13.0
121.10130	24.2
123.08062	19.5
123.11714	3.3
125.06011	3.3
125.09605	16.8
128.06255	3.2
129.05482	11.1
129.06947	11.6
130.07768	4.4
131.08533	22.4
133.06424	4.8
133.10114	24.1
135.08043	7.8
135.11684	20.3
137.09608	18.7
141.07013	2.5
143.08537	6.2
145.06491	3.5
145.10120	34.3
147.08043	9.2
147.11710	13.0
149.09584	25.1
151.11186	4.6
155.08582	4.6
155.10738	3.2
157.08669	4.1
157.10098	5.3
159.11661	13.8
161.13228	7.1
163.11160	49.5
165.09167	3.0
169.10207	4.1
171.11658	3.7
173.09587	3.0
173.11771	4.7
173.13263	6.3
177.12819	2.9
179.14313	6.5
181.12292	5.0
183.01115	2.6
183.11621	3.0
184.07227	2.6
188.03058	2.5
189.11266	4.1
189.12790	3.5
191.10663	5.1
193.12204	2.5
205.12180	5.0
209.11765	14.2
223.13263	6.0
227.12753	15.9
229.14403	7.3
229.19495	3.0
239.17883	3.2
247.20486	3.0
253.14471	3.1
255.15733	2.5
257.18994	8.8
267.15973	4.3
273.18448	9.6
275.20078	38.6
283.15359	90.2
284.15808	3.7
291.19507	35.8
293.21106	7.4
301.16528	18.0
349.23706	58.7
365.23163	15.1
379.21115	13.6
385.17413	2.6
437.25266	31.0
451.26968	5.9
461.28860	14.1
477.28284	4.9
539.33124	3.1
557.34637	49.4
575.35419	7.6
591.35449	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	788.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.8
55.05504	15.6
57.03218	1.0
57.03431	10.2
57.07048	1.5
61.02923	1.6
65.03930	3.0
67.05495	37.8
69.03424	3.5
69.07060	20.8
70.92823	1.4
71.04978	3.7
73.02909	1.3
77.03921	1.7
79.05482	30.2
81.03410	45.9
81.07047	43.5
82.03738	1.1
83.04967	9.4
83.08604	11.8
85.02878	2.2
85.06515	1.7
91.05470	41.7
92.05793	1.1
93.07029	27.1
95.01343	4.7
95.04957	19.8
95.08594	18.5
97.02888	3.7
97.06519	12.3
97.10148	4.7
99.04455	1.4
103.05461	1.8
105.04456	1.6
105.07017	44.1
107.04942	14.9
107.08582	17.6
109.06510	5.5
109.10146	18.5
111.04392	1.7
111.08065	5.9
115.05411	1.7
116.04682	2.2
117.06996	10.4
119.04873	1.3
119.08574	29.2
121.06477	5.5
121.10115	8.5
123.04408	1.6
123.08057	4.3
123.11700	2.7
125.09589	2.8
127.07557	1.2
127.79547	1.0
128.06255	1.4
129.05466	4.4
129.06976	6.7
131.08557	15.3
133.06467	2.9
133.10110	39.1
134.10458	1.0
135.08017	4.0
135.11673	5.3
137.09579	2.6
142.07762	1.2
143.08565	2.7
145.06480	2.1
145.10098	9.9
147.08025	4.2
147.11671	11.8
149.09615	7.5
149.13213	2.2
151.11183	10.6
155.08556	1.8
157.08736	1.7
157.10112	7.6
159.08090	1.1
159.11708	5.4
159.68686	1.0
161.09633	2.0
161.13277	2.2
163.11118	5.0
165.08998	1.1
165.12750	1.9
169.10023	1.9
169.12238	1.6
171.11630	1.9
173.13269	2.0
175.11124	6.4
177.12758	2.2
179.14279	5.6
183.11711	2.0
184.07352	1.4
185.13286	1.3
187.11192	2.7
189.11264	1.5
193.12224	12.2
195.73680	0.9
196.95454	1.1
199.13213	1.8
209.11644	1.6
211.13268	3.8
211.63524	0.9
215.08760	1.0
227.12782	2.0
229.19754	0.9
253.14345	21.1
257.19040	1.9
267.15881	54.4
268.16208	1.7
271.15372	1.2
273.18390	6.2
275.20023	27.4
283.15329	1.8
285.16864	2.5
291.19485	7.1
293.21036	1.9
301.16452	12.8
325.69534	1.2
329.21274	1.2
347.22040	1.5
349.23697	19.8
365.23239	5.3
400.29883	1.1
447.27319	1.2
461.29016	1.2
465.20709	1.0
497.27301	5.8
519.21967	1.0
541.35181	100.0
542.35413	9.0
559.35815	4.8
573.34204	1.4
591.35052	7.4
609.36078	1.0
743.35559	4.1
789.40509	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	788.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.7
55.05502	42.5
57.03434	20.2
57.07072	3.5
60.56544	2.5
61.02906	3.7
65.03916	7.7
65.49583	2.4
67.05500	99.4
69.03413	8.1
69.07063	27.4
71.04978	10.6
79.05486	97.3
80.05815	2.6
81.03416	32.1
81.07050	98.8
83.04980	23.5
83.08613	28.5
85.02895	10.4
85.06528	4.6
86.09692	10.9
91.03992	2.9
91.05471	100.0
93.07035	91.8
93.36736	2.7
95.04962	40.5
95.08602	43.7
97.02890	7.4
97.06519	21.5
97.10165	10.9
99.08076	3.7
103.08442	3.1
105.04512	8.2
105.07016	67.7
107.04950	23.2
107.08585	44.5
109.06525	21.3
109.10162	27.7
111.04438	5.0
111.08038	12.9
113.05956	3.2
115.05429	3.4
117.07001	25.3
119.08569	53.3
121.06478	11.4
121.10106	17.4
123.08054	12.5
123.11646	3.6
124.99946	5.9
125.09631	9.1
129.07002	18.2
131.08566	22.3
133.06494	5.0
133.10121	42.6
135.08054	14.6
135.11662	13.3
137.09583	4.8
142.07765	3.1
143.08549	13.3
145.06429	2.9
145.10107	25.8
147.08052	9.1
147.11684	38.3
149.09586	18.6
149.13246	8.1
151.11082	6.5
155.08580	5.6
157.10139	13.8
159.11700	11.2
161.09575	10.4
161.13263	7.0
163.07526	4.9
163.11201	12.1
165.09195	2.7
165.12769	5.2
169.10107	3.4
171.11659	15.9
173.09694	3.3
173.13271	5.1
175.11128	7.5
177.12778	3.7
181.10034	3.1
184.07344	29.1
189.11246	8.3
189.12769	6.4
193.12247	16.5
195.13768	4.1
207.13799	19.0
209.04712	3.0
211.13219	13.0
227.12727	15.3
229.14351	6.4
253.14140	3.6
257.18970	9.2
267.15857	9.3
269.17383	19.0
271.17010	3.6
273.18436	8.4
275.20035	33.6
281.17456	53.3
283.15295	9.3
285.16968	16.7
289.17975	10.4
291.19638	13.0
299.14850	9.4
301.16501	4.9
347.22104	4.1
349.23688	20.5
363.21512	6.5
365.23438	5.1
367.24649	5.5
381.22430	5.6
435.27289	18.7
442.62860	3.0
472.13983	2.9
475.24460	4.2
475.30615	78.2
476.31018	4.3
493.27597	11.6
555.37323	37.6
557.34692	6.5
573.34619	15.6
591.35333	15.9
597.56482	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	789.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25847	1.6
67.05502	4.5
69.03436	2.3
71.04971	1.9
72.58480	1.7
77.24370	1.4
79.05495	6.1
80.05000	1.8
81.03445	5.4
81.07066	3.2
82.06587	2.0
83.08620	1.9
85.02905	4.3
91.05488	4.8
93.05785	2.1
93.07060	5.2
93.42470	1.8
94.06583	8.3
95.07353	2.7
96.08140	5.5
103.05508	2.4
105.07004	2.3
106.06554	3.4
107.07294	2.2
108.08110	28.4
109.02892	2.1
110.09688	14.4
118.06507	1.9
120.04477	3.0
120.08109	18.1
122.06030	14.1
122.09673	9.6
124.07568	3.8
129.71698	1.8
130.04970	1.9
132.08099	1.6
134.06003	2.9
136.07556	33.0
138.05452	3.1
138.09148	22.7
146.05971	8.0
148.07565	16.9
150.09171	9.3
152.07024	11.2
160.03912	2.4
160.07587	2.1
162.05472	3.1
162.09137	2.4
164.07040	4.9
166.08632	22.1
167.07034	15.5
170.09673	1.8
172.03906	10.2
174.05521	2.8
176.07069	2.5
181.04910	3.3
190.04987	6.6
197.10777	3.3
198.09215	1.8
198.11566	2.8
200.10846	1.8
204.06587	8.1
208.09688	2.6
209.10757	4.2
210.11494	2.7
211.12305	9.5
212.12881	2.0
213.10263	2.5
223.08614	1.7
223.12357	7.5
224.13127	2.7
225.10222	12.2
225.13770	3.6
226.11018	7.9
227.11812	7.3
235.08786	1.8
235.12253	3.6
236.09309	2.0
237.10144	13.3
238.10994	6.6
239.11757	27.3
240.12550	4.9
241.13408	3.9
248.09450	3.7
249.10165	10.2
250.10851	8.6
251.11745	30.7
252.08836	1.9
252.12514	9.3
253.09659	4.9
253.13301	12.9
255.11313	6.5
262.10919	3.8
263.11743	20.6
264.08957	3.2
264.12540	5.2
265.09830	13.2
265.13193	9.5
266.10501	7.6
266.14096	5.8
267.11255	27.7
267.14352	2.5
269.12747	3.7
273.12302	2.7
276.12549	3.1
277.09747	7.3
277.13309	2.1
278.10425	8.0
279.11267	42.4
280.09146	1.9
280.11951	7.9
281.12775	15.0
284.11737	2.2
285.12335	17.9
291.11319	17.1
292.11938	5.2
293.12827	15.1
295.10690	6.2
296.11646	3.1
297.12280	23.0
298.12839	3.2
299.13882	10.8
307.10760	4.9
309.12332	6.5
310.13107	4.5
311.10315	2.9
311.13815	30.4
312.14291	3.0
319.10837	10.9
321.12332	12.5
323.10275	5.8
323.13727	4.0
325.11746	8.2
327.13547	6.2
328.14313	3.1
330.16049	5.0
337.11841	6.6
339.13397	8.0
341.15118	3.5
343.12970	4.6
343.16873	2.1
344.17734	4.4
351.13336	2.3
353.15088	3.6
356.13803	2.2
357.14600	5.1
358.15347	2.8
359.20059	2.9
363.13177	2.8
364.13965	2.1
369.14523	5.5
370.15494	2.9
371.16095	2.1
372.17068	2.7
379.12787	4.3
381.14392	5.9
383.16110	4.6
386.18802	3.3
388.20267	2.3
393.14212	2.5
395.16086	2.7
399.15289	5.7
400.16391	7.5
401.16843	4.2
402.18192	3.5
404.19708	3.0
411.15714	12.2
412.16412	6.0
414.17438	2.2
417.15094	2.9
420.18933	1.9
423.15448	3.9
425.17264	1.9
427.14886	3.0
429.16528	11.0
430.17538	8.8
431.18192	2.9
432.19104	2.7
435.15369	7.1
439.15173	4.7
441.16336	8.7
442.17368	2.8
443.17975	3.1
444.18945	2.4
446.20740	7.3
448.18106	2.0
451.14658	2.3
453.16656	5.8
459.17712	4.3
460.18549	2.1
463.14725	4.0
467.14471	4.7
469.15942	2.6
471.17636	11.4
472.18137	4.3
481.15918	18.3
483.17636	2.1
499.16800	2.4
519.26074	1.9
556.20563	3.5
558.21875	2.0
562.21600	6.1
565.23273	2.4
566.24786	5.4
568.21100	2.7
570.22009	2.4
574.21490	5.2
578.24579	5.3
580.22809	2.3
586.21149	2.4
588.22949	1.9
590.24622	4.3
592.22748	7.3
593.23596	43.9
594.24414	35.1
594.83124	2.5
595.24963	3.7
598.21289	3.9
604.22632	4.2
606.15265	3.1
606.24341	39.7
607.24731	3.2
616.22937	5.0
618.24628	11.7
620.22357	24.0
621.22913	15.4
622.24036	14.1
627.24207	4.5
634.23871	86.9
635.24500	15.3
636.25220	6.7
652.24481	6.3
655.27173	2.5
666.26495	61.1
667.27197	15.7
675.28253	3.6
693.29138	3.5
711.30542	2.8
715.29077	2.0
721.28180	7.7
729.31262	4.1
739.29651	22.7
757.30713	100.0
758.30634	10.1
789.32813	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
55.05257	2.3
55.05506	33.0
57.03433	18.6
57.07068	1.5
59.04994	3.9
61.02923	5.4
63.21951	1.1
65.03941	3.3
66.04203	1.1
67.05499	100.0
68.05852	1.6
69.03433	5.8
69.07062	22.2
71.01328	1.4
71.04989	14.7
71.08618	1.2
73.02911	3.5
77.03906	1.3
79.05491	47.0
81.03418	11.7
81.07050	82.9
83.04977	10.1
83.08613	20.1
85.02911	10.1
85.06547	6.4
86.09686	1.2
87.04449	3.3
91.05470	41.7
93.07034	42.0
95.04950	12.5
95.08598	27.3
96.83419	1.1
97.02893	3.6
97.06532	9.9
97.10166	8.6
99.08080	2.2
103.03946	1.3
103.05446	1.1
105.04512	2.9
105.07027	17.1
107.04934	2.7
107.08585	30.3
109.02831	1.6
109.06500	3.2
109.10145	36.2
111.04435	1.7
111.08075	5.8
117.06976	12.3
119.08566	13.9
121.06516	2.4
121.10123	12.5
123.08064	2.8
123.11699	6.9
125.09613	8.2
127.03953	2.0
129.05486	3.9
129.06998	3.2
131.08556	12.4
133.10120	20.7
135.08038	2.6
135.11661	9.3
137.09583	2.8
143.08557	2.3
143.10670	1.2
145.10110	8.5
147.11688	4.8
149.09554	2.8
149.13254	13.0
151.11166	5.1
153.12714	2.2
155.10635	2.1
157.10214	1.5
159.11690	11.2
161.13176	2.3
163.11209	3.0
171.11711	2.4
173.11775	11.4
173.13164	1.6
177.12749	3.7
179.14445	1.2
181.12173	1.3
183.13757	2.0
184.07323	4.4
185.13194	1.6
187.13261	2.0
191.10609	1.8
193.12413	1.5
195.13811	14.0
197.13409	1.5
199.13278	4.3
209.11726	3.1
213.14740	1.2
227.12775	5.9
227.67108	1.2
229.14322	32.5
241.19510	1.3
257.13696	1.3
257.17252	1.7
259.20621	3.7
267.15894	3.7
269.17453	59.6
270.17816	2.3
275.19937	2.9
283.15317	3.0
301.16476	8.1
301.20145	5.8
333.24200	4.3
388.56656	1.2
393.25925	2.0
399.23874	15.7
411.27148	2.0
423.27429	27.1
424.27982	2.1
437.28973	4.5
451.30505	1.7
477.28455	2.0
495.29733	4.9
501.35590	9.9
513.30383	3.3
517.35059	2.8
527.37164	4.4
543.37262	1.4
559.39911	2.7
593.36847	35.2
594.36768	3.0
790.41882	2.3
791.40186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	18.4
55.05508	40.1
57.03429	37.2
61.02894	7.6
65.03910	4.5
66.84989	3.1
67.05159	5.8
67.05498	90.4
69.03423	20.0
69.07056	48.6
69.18694	17.2
71.04989	19.7
73.02933	6.7
79.05485	100.0
81.02960	5.7
81.03407	78.1
81.06564	5.3
81.07045	99.5
82.61420	2.8
83.01360	3.7
83.04971	26.3
83.08611	31.8
85.02895	29.4
85.06541	6.4
85.11241	2.8
85.37071	3.1
91.05470	91.0
93.07031	71.8
94.07364	3.5
95.04961	40.2
95.08598	43.1
97.02879	13.9
97.06518	81.9
97.07117	6.1
97.10152	12.4
98.22689	5.5
99.08067	10.4
105.04511	6.2
105.07018	59.6
107.04947	26.4
107.08595	41.3
109.02892	6.4
109.06505	34.7
109.10146	26.1
111.04436	10.0
111.08080	21.5
113.05977	3.8
115.05404	6.4
115.07518	20.1
117.06998	28.3
119.08564	49.2
121.06499	11.9
121.10128	17.5
122.10487	3.3
123.08042	14.6
123.11689	7.8
125.09650	7.0
127.03890	4.4
128.06143	7.0
129.06969	19.8
131.08571	30.4
133.06454	7.0
133.10115	34.4
134.61125	2.9
135.08041	9.5
135.11659	15.2
136.57433	3.0
137.09602	7.9
141.06981	3.0
142.07805	5.3
143.08557	9.4
145.10112	22.4
147.08022	12.2
147.11674	23.8
149.09592	10.5
149.13231	9.1
151.11090	3.8
155.08571	4.3
157.10086	15.0
159.08069	3.3
159.11655	9.6
161.09663	5.2
163.11153	13.7
165.12712	4.6
171.11638	6.5
173.04425	8.3
175.11105	16.9
177.12726	7.8
179.10794	3.4
183.11673	3.7
184.07211	4.0
185.13284	4.2
187.11142	4.2
193.12219	39.0
195.13791	4.0
203.14185	3.4
211.13252	54.6
217.15883	7.5
227.12755	10.6
229.14261	11.1
233.15396	5.6
253.14482	3.9
267.15802	24.2
269.17404	19.7
273.18378	25.9
275.19980	9.8
283.15347	28.7
284.15881	3.6
285.16937	48.1
291.19473	18.9
347.21936	11.1
365.23093	9.7
383.24484	3.6
405.00912	3.6
437.25375	21.0
461.28937	7.6
477.28418	25.1
479.30087	19.3
523.88202	3.6
539.33240	6.7
557.34845	27.7
575.35767	20.5
593.36621	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	790.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.0
55.05506	43.6
56.40549	2.6
57.03430	17.9
61.02920	5.7
65.03923	3.6
67.05499	54.3
69.03422	10.9
69.07058	28.2
71.04967	5.9
71.96198	2.9
73.02903	3.2
73.15086	2.5
79.05484	69.0
81.02955	5.7
81.03409	73.5
81.07051	99.4
82.03757	3.3
83.04971	30.6
83.08613	36.0
85.02890	24.5
85.06528	6.3
91.05470	61.4
91.06046	3.1
93.07033	44.8
95.04967	45.2
95.08598	23.0
97.02889	6.3
97.06526	13.0
97.10160	31.9
105.07029	43.5
107.04952	24.0
107.08579	33.8
109.06517	16.9
109.10127	15.2
111.04440	15.1
111.08064	16.9
117.07042	14.5
119.08566	48.8
121.06510	7.9
121.10151	20.5
123.08045	25.8
125.09628	27.9
128.65244	3.0
129.07014	17.8
131.08566	17.3
133.06494	6.9
133.10117	20.6
135.08046	8.4
135.11708	10.6
137.09586	5.9
142.07788	4.6
143.08560	4.4
145.06468	5.0
145.10078	20.4
147.08031	17.8
147.11682	21.1
149.09616	13.1
153.09155	3.5
153.12749	5.4
155.08565	3.1
157.10080	17.8
159.08058	3.2
159.11694	5.3
161.09624	11.1
163.11172	24.5
165.09128	6.6
165.12717	3.3
169.10229	2.7
171.10269	3.6
171.11732	5.0
172.52136	2.9
175.11145	17.0
181.12257	7.6
185.13187	3.9
189.11206	25.9
191.10640	7.9
193.12215	56.4
199.11185	3.2
211.13257	69.5
211.15126	4.9
213.16232	3.0
223.13306	6.0
227.12759	28.2
249.14784	5.7
255.17436	6.0
267.15897	38.4
273.18417	46.1
283.15366	4.9
285.16910	89.8
291.16229	4.9
291.19519	100.0
309.17072	2.8
309.20609	12.4
313.21417	3.4
347.22104	16.7
365.23209	43.2
383.24213	19.4
455.26404	3.1
477.28250	3.8
483.30664	6.6
539.33459	9.5
557.34711	45.6
575.35693	64.8
576.35846	4.7
593.36725	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	790.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	17.6
55.05509	47.6
57.03173	3.8
57.03431	33.4
57.07060	6.8
61.02909	9.2
65.03950	5.6
66.42480	2.1
67.05503	100.0
68.05827	2.7
69.03411	14.0
69.07058	34.8
71.04995	19.3
71.08602	3.3
71.74790	2.5
73.02917	7.3
77.03951	2.9
79.05489	86.0
80.05824	4.2
81.02959	3.5
81.03417	37.9
81.07054	97.0
82.04189	3.8
82.07385	3.6
83.04980	22.1
83.08618	23.2
84.41415	2.7
85.02901	15.0
85.06538	7.2
91.03946	2.8
91.05475	97.3
92.05809	4.1
93.06450	3.9
93.07042	75.6
95.04964	33.9
95.08603	42.1
96.08919	2.9
97.02876	12.2
97.06534	25.9
97.10151	14.6
98.07321	6.7
99.08076	8.3
103.03899	3.3
103.05399	3.0
105.04524	6.3
105.07027	76.6
106.07348	4.0
107.04949	11.7
107.08586	46.5
109.06523	11.4
109.10143	26.8
111.04453	2.7
111.08073	9.7
115.05441	5.1
116.04700	6.9
117.07025	30.7
119.08577	55.0
121.06492	10.2
121.10143	23.7
123.08108	14.0
123.11704	6.9
125.09620	18.0
127.03909	3.9
129.05486	24.8
129.06975	15.7
131.07642	4.0
131.08559	29.5
133.06535	2.2
133.10123	52.3
133.11134	3.0
134.10388	3.9
135.08093	7.5
135.11681	19.1
137.09615	5.1
139.11140	3.1
142.07770	2.7
143.07011	6.4
143.08551	6.9
145.10139	22.4
147.08052	6.4
147.11676	25.3
149.09601	10.2
149.13243	10.1
151.11194	8.7
153.12643	2.4
155.08597	2.9
157.08618	7.4
157.10135	12.9
159.11665	19.7
161.09669	2.7
161.13264	10.1
161.84990	2.4
163.11162	15.4
169.10069	4.3
171.10216	3.2
171.11665	10.8
173.13168	11.0
175.11166	5.5
175.14839	3.0
177.12746	7.7
179.14294	3.6
183.11656	2.7
183.13805	2.5
184.07294	4.1
185.13193	6.1
189.11200	6.7
193.12216	11.4
195.13797	4.8
199.13263	6.3
199.14867	5.4
207.13821	3.3
209.11778	3.6
211.13245	6.0
227.12720	12.3
231.21060	3.4
241.19525	11.2
253.14178	4.0
255.15730	2.6
257.18954	7.3
259.20569	31.4
267.15854	11.7
268.16312	4.0
269.17526	17.6
273.18326	3.1
275.20099	22.4
276.20230	3.2
283.15384	8.8
293.21121	4.6
301.16504	42.8
301.19788	3.9
302.16833	4.6
313.21497	3.6
333.24219	17.6
349.23764	16.0
350.23712	2.9
351.25516	3.6
423.27490	3.5
437.29141	4.5
449.29410	4.4
461.28720	4.3
463.30493	5.9
477.28558	3.5
495.29013	7.8
495.34476	3.4
517.34979	7.1
525.35596	5.3
541.34949	6.4
542.35577	6.9
543.35986	15.2
559.36206	8.5
577.37183	2.7
663.95300	3.0
744.36188	9.5
790.39838	9.9
791.37885	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	790.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	17.6
55.05258	3.4
55.05506	44.2
57.03431	27.3
57.07076	2.6
59.04998	2.2
61.02911	5.5
65.03918	7.9
67.05499	100.0
69.03414	10.6
69.07061	60.8
69.31657	5.7
69.32063	4.8
71.01360	3.0
71.04987	12.3
73.02883	4.2
77.03909	4.1
79.05485	79.0
81.03412	65.6
81.03783	1.3
81.03890	2.5
81.07051	86.7
83.04983	25.2
83.08615	30.8
85.02898	25.8
85.06546	5.4
87.04428	2.6
91.03944	3.3
91.05474	88.3
93.07037	67.1
95.04964	45.5
95.08601	47.8
97.02879	9.3
97.06521	24.3
97.10152	17.3
99.04440	3.0
99.08097	2.7
105.04484	4.8
105.07023	59.3
107.04944	18.8
107.08578	35.1
109.02879	2.4
109.06507	12.3
109.10143	29.8
111.04433	5.2
111.08060	16.5
113.09659	2.4
115.05451	6.3
116.04712	3.7
117.07003	20.1
119.08568	36.6
121.06469	6.2
121.10146	20.8
123.08038	9.5
123.11681	6.1
125.09620	13.4
128.06226	5.0
129.05476	11.5
129.07004	17.0
131.08531	28.8
133.06471	3.5
133.10112	36.6
135.08044	5.9
135.11691	15.5
137.09598	16.7
142.07698	3.5
143.08554	4.8
145.06494	2.3
145.10132	17.6
147.07971	2.8
147.11676	30.2
147.40207	2.0
149.09598	30.3
149.13246	6.7
151.11174	5.2
153.12805	2.6
155.10672	4.1
156.09180	2.1
157.08658	5.7
157.10106	20.1
159.11694	11.4
161.13242	7.4
163.11186	15.4
165.12738	3.8
169.10106	2.5
171.10164	4.3
171.11598	3.3
173.11710	5.8
173.13234	6.3
175.11147	17.4
175.14772	2.5
177.12737	4.4
179.14313	4.9
181.12286	2.3
183.11649	2.6
187.11096	3.5
189.11195	6.2
193.12230	52.8
195.13855	3.6
199.13312	3.9
209.11642	3.5
211.13264	51.4
227.12732	9.3
229.14281	5.2
229.19479	2.9
239.17844	3.7
243.15877	2.9
255.15874	8.1
257.18951	9.0
267.15866	28.0
268.16125	2.5
269.17383	9.4
273.18417	3.7
275.20047	37.8
283.15353	3.0
285.16953	36.6
291.19559	6.9
293.21002	5.7
301.16425	27.1
349.19437	2.8
349.23669	46.6
365.23373	3.1
381.22784	3.3
412.78152	2.2
413.89581	2.5
421.25391	3.0
435.27649	2.8
439.26700	8.9
463.30731	4.9
481.27844	4.7
495.29349	13.0
541.34723	11.8
554.51154	2.3
559.36188	29.7
560.36243	3.1
575.35437	11.8
577.37323	3.7
680.81610	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	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	18.7
55.05254	3.7
55.05508	46.4
57.03434	27.5
57.07071	4.8
58.38385	1.5
61.02917	5.0
65.03931	4.3
67.05500	94.4
69.03420	13.8
69.07066	33.6
71.01338	5.3
71.04990	13.1
73.02901	6.4
73.24022	2.1
77.03926	2.1
79.05486	81.7
81.03414	61.2
81.07051	100.0
82.04173	3.0
83.04981	31.3
83.08613	30.7
85.02895	18.5
85.06541	8.0
86.09715	2.5
86.71095	1.7
91.03975	3.2
91.05476	79.6
93.06442	3.5
93.07037	69.9
95.04960	37.5
95.08598	39.8
97.02888	12.6
97.06520	20.3
97.10163	15.2
98.07312	3.1
98.22671	3.4
99.04443	3.6
99.08067	3.7
102.54418	1.7
105.04503	2.7
105.07019	55.9
105.07738	2.8
107.04950	18.0
107.08586	43.3
109.02774	1.7
109.06521	11.8
109.10146	23.5
111.04436	4.8
111.08087	12.6
113.06041	2.3
115.05422	3.5
116.04721	5.7
117.07014	15.2
119.08573	39.0
121.06488	8.9
121.10123	21.0
123.08052	12.8
123.11699	7.7
125.09605	14.3
127.03881	3.3
127.07547	2.5
128.06230	4.2
129.05473	13.3
129.06972	18.7
131.04874	1.9
131.07657	2.8
131.08566	29.9
133.06491	7.2
133.10109	38.5
133.11020	3.0
135.08058	5.5
135.11682	23.0
137.09573	4.7
142.07753	2.6
143.07027	3.0
143.08546	4.8
145.06476	1.8
145.10103	16.4
147.08052	7.0
147.11668	21.3
148.12325	2.2
149.09610	16.0
149.13252	11.7
151.11191	6.5
153.12666	2.3
155.08522	4.1
157.08638	6.2
157.10120	14.5
159.08043	1.7
159.11713	12.5
161.09622	4.1
161.13321	2.2
163.11169	17.0
165.12758	4.3
169.10258	1.8
169.12135	2.0
171.06519	2.3
171.10320	2.9
171.11688	3.9
173.04518	2.4
173.09673	2.1
173.13245	2.3
175.11172	15.8
177.12776	5.0
181.12282	4.5
184.07327	7.6
189.11137	5.3
189.12784	2.9
191.10713	2.0
191.14182	1.7
193.12227	35.3
193.13965	2.7
195.13873	6.0
199.13246	5.9
200.14017	2.2
209.11674	3.4
211.13269	31.8
211.15143	2.9
227.12682	9.1
229.14261	3.0
243.15915	2.4
253.14273	10.5
255.15848	17.1
257.18982	4.9
267.15909	27.7
268.16483	3.2
269.17508	20.4
273.18478	5.5
275.20114	15.0
283.15408	6.0
285.16937	23.7
291.19501	7.4
301.16483	30.3
323.18643	1.9
349.23535	9.8
365.23032	5.3
367.24960	2.3
423.27219	5.7
435.27328	3.1
444.74463	1.7
447.27182	4.2
453.28278	3.6
461.29150	2.9
463.31110	2.7
465.28311	5.2
477.28522	3.7
479.30020	2.9
481.27979	7.0
495.29349	25.9
541.34918	2.9
557.34576	10.6
559.36255	2.9
575.35712	7.1
593.37512	2.4
791.40057	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	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.4
55.05508	26.8
57.03432	18.3
57.07055	2.6
59.04982	2.8
61.02908	3.2
65.03931	2.9
67.05499	100.0
68.05827	1.6
69.03414	2.9
69.06705	1.3
69.07063	21.4
71.01334	2.1
71.04989	8.8
73.02898	1.9
77.03896	1.2
79.05486	44.0
80.05811	1.1
81.03406	10.5
81.07049	77.1
82.07335	0.8
83.04983	11.5
83.08613	18.4
85.02907	9.0
85.06525	5.4
87.04462	2.2
91.03941	1.0
91.05471	29.1
93.07036	51.0
94.07360	1.1
95.04962	10.5
95.08596	22.5
95.09208	1.1
97.02891	4.8
97.06522	11.9
97.10163	10.4
98.22683	1.6
99.04420	1.2
99.08070	3.5
103.03946	0.8
105.04533	1.9
105.07014	13.6
107.04965	4.8
107.08582	30.4
109.06514	4.3
109.10146	42.7
111.04449	1.4
111.08081	8.4
113.09638	0.9
115.05415	1.1
117.07002	10.3
119.08561	10.0
121.06464	2.9
121.10133	16.0
123.08048	2.5
123.11687	3.3
125.09616	6.9
129.05460	3.0
129.06976	2.4
131.08548	9.0
132.52895	0.8
133.10118	10.1
135.08031	2.8
135.11681	9.4
137.09601	2.9
139.11145	1.1
143.10619	1.7
145.10110	4.7
147.07999	1.7
147.11658	3.6
149.09607	1.9
149.13237	22.6
151.11150	1.7
153.12691	2.7
155.10645	2.2
157.08658	1.2
157.10065	2.6
159.11662	10.6
163.11183	5.7
165.09239	0.8
171.06580	0.9
171.11523	1.0
173.11720	12.4
173.13203	1.1
177.12741	6.2
181.12212	1.9
184.07211	0.9
191.10652	3.1
193.12140	1.8
195.13789	12.7
199.13304	3.7
209.11691	4.7
211.13249	2.1
213.14824	2.0
224.45496	0.7
227.12657	5.3
229.14317	32.2
265.14331	2.4
267.15848	4.9
269.17450	76.4
270.17703	1.0
275.19983	1.8
283.15390	5.2
301.16422	5.4
301.19937	1.5
323.18597	1.0
393.26093	1.8
399.23779	8.6
411.27444	2.4
423.27350	47.7
424.27686	3.7
437.29047	1.1
461.28506	2.3
477.28333	2.3
478.28766	1.9
495.29147	6.7
501.35507	1.7
502.44229	0.8
513.30359	2.2
517.34888	0.9
527.37372	1.1
543.36542	3.2
593.36914	24.1
594.36902	2.2
790.38239	7.8
791.39313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.7
55.05503	30.8
56.15493	2.3
57.03431	13.0
59.04997	2.6
61.02919	3.5
65.03934	2.9
67.05161	4.2
67.05496	62.8
69.03420	6.4
69.07051	17.2
71.04979	12.3
74.07439	2.1
79.05487	59.7
81.03409	42.8
81.07051	62.0
82.07404	3.4
83.04985	5.1
83.08643	14.9
85.02877	7.1
91.05470	56.2
93.07040	59.8
95.04961	27.2
95.08592	30.8
97.02870	5.3
97.06525	9.0
97.10155	13.6
98.22666	4.7
99.08051	4.1
105.04520	3.0
105.07024	44.7
107.04960	10.7
107.08578	33.9
109.06508	7.0
109.10163	16.7
111.04414	4.4
111.08056	7.5
117.06997	18.4
119.08568	32.1
121.06443	4.1
121.10128	22.0
123.08064	7.2
123.11713	5.5
125.09624	12.4
128.06212	3.5
129.06996	18.1
131.08546	28.5
133.06502	4.0
133.10121	29.7
135.08047	5.5
135.11682	13.8
137.09576	4.0
141.06949	5.0
143.08548	11.3
145.06528	3.6
145.10101	19.6
147.08031	5.0
147.11685	24.4
149.09618	8.6
149.13232	6.3
151.11050	3.1
153.07033	2.7
155.08527	5.8
157.10121	16.6
159.11687	20.3
161.13252	9.5
163.11163	11.3
169.10130	7.3
171.11642	11.8
173.09537	3.4
173.13261	9.1
175.11115	5.4
175.14861	3.1
179.13942	2.4
181.10114	3.1
183.11575	4.2
185.13225	8.2
189.11218	3.6
193.12216	7.0
195.11684	4.4
197.13194	3.0
227.12729	12.1
229.14299	4.6
241.19547	6.1
243.15759	3.0
259.20511	13.5
267.15814	20.3
269.17416	7.4
275.20123	7.1
283.15320	5.6
283.20422	4.0
297.22198	2.9
299.23666	5.6
301.16635	4.4
301.20203	7.9
315.23203	3.7
333.24142	13.9
333.27844	3.1
356.59769	2.7
404.32562	2.7
407.24042	3.5
415.30069	4.1
421.25781	7.4
433.30875	11.2
435.27313	5.5
449.29306	3.3
451.31790	13.2
463.30646	4.1
469.32895	9.8
477.28351	6.4
495.28912	5.5
507.34543	5.8
517.35205	7.9
525.35559	50.7
543.28503	5.3
543.36713	100.0
544.36804	9.5
557.38141	8.1
575.39453	13.8
790.39886	4.6
791.38885	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	790.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.0
55.05507	33.2
57.03432	19.6
57.07066	5.0
59.04999	29.6
61.02920	2.6
65.03936	3.2
67.05499	100.0
68.05830	1.6
69.03422	4.7
69.07062	15.8
71.04985	11.6
71.08620	2.4
72.92356	1.1
79.05487	41.2
81.03415	8.6
81.07050	53.0
82.07404	1.7
83.04972	5.3
83.08610	16.5
85.02884	6.0
85.06522	3.7
86.09720	1.8
86.24229	1.1
87.04459	44.8
89.06033	6.3
91.03951	1.8
91.05471	26.2
93.07037	36.6
95.04955	10.4
95.08596	35.8
97.02885	4.0
97.06526	4.7
97.10165	16.6
99.04452	14.9
105.04489	2.1
105.07018	14.5
107.04933	1.9
107.08596	22.7
109.06512	2.3
109.10149	46.2
110.07655	1.2
110.10469	1.4
111.04421	2.8
111.08084	2.9
112.61156	1.2
115.03870	1.9
117.06992	7.5
119.08578	15.2
121.06527	1.9
121.10138	16.0
123.08049	2.2
123.11711	3.4
125.09610	13.1
127.03931	2.6
129.06979	2.8
131.08563	8.9
133.08594	3.8
133.10124	9.6
135.11688	10.3
137.09628	2.7
142.94240	1.0
143.08527	2.0
143.10657	1.4
145.10081	9.1
147.11636	7.3
149.09590	2.2
149.13268	4.9
155.08575	1.5
155.10709	1.5
157.10056	1.8
159.11641	5.8
161.13220	3.4
163.11183	3.5
163.14897	1.5
165.12657	1.4
171.11655	1.6
173.09541	1.7
173.11734	14.9
173.13257	4.7
177.11179	2.0
184.07326	5.5
185.13220	2.2
187.14737	1.7
191.10603	1.7
193.12231	3.3
199.13300	10.9
223.13235	1.9
224.95003	1.3
225.14775	1.4
227.12779	5.4
229.14320	34.6
241.14342	3.3
243.21150	2.2
257.13910	1.3
259.20383	2.0
261.22122	10.2
267.15863	5.2
275.20126	1.3
277.21597	2.1
301.75458	1.4
315.18127	6.9
335.25754	50.7
336.26129	3.2
363.25195	4.7
477.35803	13.1
478.36090	1.6
489.35666	34.1
490.35822	2.9
525.34491	1.4
543.36279	2.3
575.39026	3.4
610.44965	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.0
55.05505	33.7
57.03431	20.5
57.07063	2.5
59.04996	31.1
59.61020	0.9
61.02911	4.2
65.03941	3.9
67.05497	100.0
68.05819	1.1
69.03424	4.0
69.07066	14.6
71.01337	1.1
71.04987	11.9
73.02924	1.3
79.05484	46.6
79.74239	1.0
81.03413	6.1
81.07049	52.9
83.04977	5.0
83.08604	12.7
85.02894	6.1
85.06530	2.6
86.09731	1.3
87.04459	41.8
89.06018	1.7
91.03944	1.4
91.05470	26.2
93.07036	45.6
94.07370	1.4
95.04955	9.1
95.08595	34.6
97.02890	4.1
97.06537	3.4
97.10156	16.3
98.22713	2.7
99.04436	14.8
99.08047	1.5
103.05481	1.3
105.04504	2.9
105.07018	15.6
107.04951	2.1
107.08583	24.7
108.08913	1.0
109.06528	3.7
109.10146	53.8
110.10503	1.0
111.04424	2.3
111.08095	3.3
111.65147	0.9
115.03904	1.2
117.06970	6.9
119.08572	14.0
121.10133	17.6
123.08031	2.2
123.11698	3.8
125.09625	12.9
129.07016	1.9
131.08582	10.2
133.10092	7.8
135.08058	2.2
135.11662	9.6
137.09608	3.1
143.08554	1.8
143.10696	1.6
145.10109	9.3
147.11656	6.5
149.13228	4.7
153.12796	2.0
155.10631	2.2
157.10144	1.6
159.11700	4.3
161.13252	3.6
163.11115	2.3
163.14828	1.9
171.11639	2.0
173.11746	13.3
173.13255	3.4
175.14798	2.1
184.07355	1.5
187.14626	1.0
191.10658	1.5
193.12267	1.7
199.13252	7.2
209.11655	1.1
209.26785	0.9
211.13293	1.2
217.14317	1.2
220.69937	1.0
223.13200	1.5
227.12759	3.6
228.96693	0.9
229.14331	26.2
238.36395	0.9
241.14275	2.0
243.21059	2.3
261.22195	7.6
267.15897	4.5
283.15451	1.6
315.17929	5.1
317.24777	1.4
335.25775	44.5
336.26086	2.1
363.25192	2.0
459.34732	2.0
477.35754	13.3
489.35699	27.4
490.36191	2.4
525.35901	1.4
543.36780	2.6
551.07440	1.0
575.39355	1.9
593.39948	1.7
665.74426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05493	2.3
57.03437	1.0
59.04995	1.8
61.02914	0.9
67.05494	4.9
68.05832	0.5
69.03421	1.2
69.07087	1.4
69.67555	1.9
71.04998	0.9
73.02912	0.9
76.24660	0.4
79.05481	5.3
80.05829	0.5
81.03424	1.4
81.07047	6.2
82.07364	0.8
83.04984	0.9
83.08612	1.3
85.02901	1.4
91.05479	4.7
92.05809	0.7
93.07030	4.3
94.07330	0.7
95.04981	1.5
95.08599	2.5
96.09013	0.5
97.02892	0.9
97.06523	1.0
105.07040	2.9
106.07333	0.5
107.04950	1.1
107.08603	2.2
109.06493	0.7
109.10164	1.3
111.43028	0.4
117.07001	1.1
117.09174	0.7
119.08588	1.6
121.10131	1.2
123.11665	0.6
123.82304	0.5
124.48914	0.4
131.08565	1.1
133.10136	1.7
135.11745	1.3
147.11745	0.9
151.11246	0.5
159.11737	1.3
161.13280	0.8
163.11201	0.6
165.39145	0.5
181.12268	0.5
184.07355	1.5
196.26538	0.4
228.38919	0.5
243.08493	0.6
255.15765	0.6
267.16010	0.5
268.16235	0.6
269.17514	0.7
275.20154	1.2
276.20398	0.7
281.10748	0.5
299.11612	0.6
301.20282	0.5
462.29367	0.8
467.18283	0.6
481.19110	1.0
499.18524	1.4
518.35895	1.0
543.36780	1.0
544.37097	1.2
562.38495	1.0
567.25598	1.1
705.34296	2.0
791.39771	100.0
792.40308	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	791.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05509	1.7
56.96568	0.6
57.03438	1.0
60.48110	0.5
60.81250	0.5
61.02917	0.6
66.29356	0.5
67.05510	5.2
67.36794	0.5
69.03431	0.7
69.07066	2.1
69.21144	2.7
71.05000	1.5
73.02911	0.8
75.77406	0.5
79.05480	4.2
81.03427	1.0
81.07049	6.4
83.08631	1.5
85.02942	1.1
90.95046	0.6
91.05502	2.7
92.05815	0.7
93.07052	2.7
95.04975	1.8
95.08622	2.2
97.02887	0.9
105.07059	1.9
107.08601	2.5
109.06546	1.2
109.10190	1.1
117.07008	0.8
119.08609	2.2
121.10163	0.8
123.11667	0.6
128.90160	0.6
131.08582	1.0
133.10123	1.3
135.11681	0.8
145.10146	0.9
147.07813	0.7
147.11697	1.2
159.11722	0.9
163.11263	0.7
184.07393	0.8
196.65105	0.6
196.66992	0.5
269.10669	0.9
269.17389	0.8
275.20050	0.8
334.24319	1.0
349.23972	0.7
457.99985	0.6
465.21051	0.8
481.18942	1.1
499.18494	1.4
517.35553	0.9
518.35437	1.0
543.36444	1.5
544.37036	1.2
562.38318	1.3
705.34790	0.9
791.39740	100.0
792.40015	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	791.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05512	2.2
57.03456	0.9
61.03984	0.5
67.05499	5.4
67.47731	0.5
68.05855	0.8
69.03425	0.9
69.07067	1.9
69.18186	1.0
69.18597	2.5
71.05003	1.0
72.52010	0.6
79.05493	3.0
81.03409	1.6
81.07067	4.0
85.02889	0.6
85.06503	0.6
91.05496	2.8
93.07037	3.8
94.07387	0.7
95.04967	1.0
95.08609	2.1
105.07037	1.7
107.08605	1.1
109.06544	0.7
109.10165	1.4
117.07014	0.8
119.08562	1.4
121.10139	1.4
131.08559	0.9
133.10155	0.7
145.10107	0.9
153.10132	0.6
163.11211	0.8
184.07372	1.2
194.56848	0.6
213.04630	0.6
227.12593	0.7
229.14490	0.7
243.09161	0.6
283.15503	0.9
335.25851	1.6
336.26227	1.2
380.88666	0.6
387.70319	0.6
430.86502	0.6
481.18347	1.1
544.37451	1.5
567.24475	0.7
571.26910	0.8
576.39374	1.1
675.31738	1.3
693.32202	0.8
705.32379	100.0
706.32776	8.8
773.38568	3.3
787.62543	0.7
790.37030	0.6
791.38934	13.8
792.39410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.05505	7.0
57.03427	5.1
57.14996	1.1
58.85674	0.9
61.02921	5.6
65.03924	1.1
67.05496	18.9
68.05834	1.8
69.03423	3.3
69.07051	5.4
71.01358	1.4
71.04990	2.4
71.08629	2.0
73.02902	4.2
79.05486	15.9
80.05802	1.5
81.03407	15.1
81.07041	13.8
82.07362	2.1
83.01107	1.4
83.04969	3.5
83.08620	6.0
85.02892	5.9
91.03941	4.6
91.05467	10.7
92.05798	1.8
93.07037	14.4
94.07378	1.7
95.04957	7.1
95.08588	8.5
97.02905	5.7
97.06516	3.2
97.10117	1.1
99.04414	1.2
101.02386	2.2
105.07032	9.4
107.04951	2.5
107.08567	7.7
109.06504	2.1
109.10149	4.3
110.66578	0.9
111.08035	2.5
115.05510	1.0
117.07003	3.1
119.08585	5.7
120.08920	1.4
121.06538	1.9
121.10145	3.0
127.03902	1.8
129.05444	2.4
129.06975	1.9
131.08536	3.6
133.10115	4.5
135.11711	3.6
136.11926	1.9
137.09619	1.0
145.10121	2.8
147.08054	1.1
147.11693	4.2
149.09587	1.1
149.13232	2.7
151.11136	1.5
155.10591	1.0
157.10123	1.1
158.08195	1.0
159.11723	1.2
161.13240	2.2
163.11163	2.1
171.11682	1.5
177.36127	1.2
179.14310	2.9
180.14673	1.3
184.07350	2.7
185.04129	2.2
193.12177	2.1
201.03831	1.3
207.17456	2.7
211.13428	0.9
222.47130	1.0
223.13332	2.0
243.08449	4.2
247.13150	2.2
267.15906	8.0
268.16241	2.8
269.17358	4.4
270.17682	2.0
277.21631	2.4
278.21912	1.7
281.17242	1.2
301.08801	6.3
303.15945	1.2
315.10373	2.0
335.87912	1.1
351.25232	1.8
371.16864	2.4
373.11032	3.8
385.18311	4.1
424.21661	1.1
443.18753	1.7
455.18793	2.3
457.20563	1.2
465.20923	12.6
466.21341	1.6
467.18677	1.5
481.20230	4.3
495.21686	3.7
524.22144	3.6
533.26318	1.7
537.22931	3.0
543.36871	5.1
544.36993	14.3
551.23383	1.3
565.29718	3.5
579.31049	4.5
607.30493	1.7
608.31268	2.0
625.31494	1.2
637.31628	3.9
705.34460	24.7
706.34198	2.0
773.38873	1.7
791.41064	100.0
792.41504	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	792.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05502	2.8
57.03437	2.8
61.02930	4.4
65.03936	0.6
67.05499	5.8
68.05026	1.8
69.03429	3.0
69.05797	0.7
69.07059	1.8
70.06585	87.6
71.04977	3.2
71.06920	0.8
73.02907	2.9
79.05485	6.8
80.05016	0.6
81.03409	16.9
81.07042	6.1
82.06583	1.4
83.04962	2.9
83.08619	3.9
84.08161	0.7
85.02886	4.2
86.06062	2.0
87.04445	0.8
91.03955	1.6
91.05476	5.8
93.07039	6.3
95.04953	4.6
95.08572	2.7
96.08176	0.9
96.24628	0.5
97.02872	4.0
97.06533	1.7
98.06060	1.3
98.09679	0.6
99.04439	1.4
100.07636	0.8
100.11248	2.8
101.02381	1.1
104.07080	0.7
105.07025	3.7
107.04958	2.2
107.08579	3.3
109.02860	0.7
109.06515	1.5
109.10133	2.3
111.04440	4.5
111.08037	2.2
117.07034	1.8
119.04992	0.6
119.08588	3.9
121.06503	1.0
121.10152	5.6
122.09654	0.5
124.07603	1.4
125.05994	0.6
126.09090	0.6
127.03936	0.5
129.07011	1.7
131.08568	2.7
133.10118	1.3
135.11667	3.0
137.05934	1.1
137.09593	0.7
140.07066	1.4
142.08626	5.5
147.08101	1.1
147.11726	2.2
149.09633	2.6
150.69135	0.5
153.01837	1.3
153.12785	2.2
157.10175	2.0
163.11148	3.8
165.12845	0.4
167.06989	2.4
168.07397	0.7
168.84042	0.5
173.05910	0.6
173.09555	0.8
175.11206	1.3
181.04935	2.4
181.12241	2.6
182.15439	1.4
191.10690	1.6
193.12236	3.1
208.17169	0.5
209.11743	0.6
209.16508	1.2
210.14911	1.7
211.13351	0.5
227.12791	2.5
236.16470	3.6
252.19644	0.6
254.17499	9.9
267.15857	5.5
278.17557	1.3
296.18518	10.7
310.20132	1.0
314.19614	12.5
314.23117	0.9
328.21017	2.7
335.63440	0.5
370.22217	7.0
388.23242	14.2
388.27951	0.9
396.47510	0.5
417.15759	0.6
418.15512	0.6
520.32629	6.5
562.33783	4.8
563.34644	0.6
580.34729	100.0
581.35175	8.5
679.51276	0.6
742.39996	64.8
743.40106	6.1
774.42578	1.5
783.59967	0.6
792.44324	5.4
792.58459	1.0
793.39850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.4
55.05504	25.9
55.30238	1.3
56.65150	1.7
57.03435	18.3
57.07088	1.6
59.04988	1.9
61.02919	4.0
65.03924	4.0
67.05495	53.9
69.03418	5.1
69.07056	22.5
70.41749	1.7
70.42095	2.1
71.04980	7.4
79.05481	53.1
79.05949	2.8
81.03407	54.3
81.03889	2.7
81.07045	81.8
83.04974	17.7
83.08615	32.0
85.02896	21.0
85.06528	3.3
86.09692	1.5
90.91769	1.3
91.05011	1.0
91.05470	47.1
93.07033	48.3
95.04957	27.9
95.08591	25.9
97.02879	3.4
97.06526	12.8
97.10135	8.1
105.07013	37.5
107.04932	13.1
107.08573	27.9
109.02839	1.5
109.06510	12.1
109.10149	9.3
111.04453	2.6
111.08073	13.6
111.32527	1.4
113.06021	3.0
113.09621	1.4
115.05454	2.1
117.07011	11.2
119.08566	28.3
121.06474	4.3
121.10133	17.2
123.08066	5.8
123.11652	6.7
125.09636	5.5
129.06976	13.3
131.08548	22.9
133.06555	1.9
133.10101	23.8
135.08044	3.5
135.11690	9.2
137.09625	4.1
142.07817	4.3
143.08499	2.0
145.10127	13.8
147.07990	3.4
147.11652	20.7
149.09589	12.6
149.13266	11.5
151.11156	2.9
155.08501	2.4
157.10100	17.6
159.11670	10.6
161.13249	1.9
163.11176	7.6
165.12737	5.1
169.10052	2.1
171.11716	2.0
173.13208	2.2
175.11163	15.2
177.12680	3.5
179.14325	1.6
180.36142	1.6
180.78313	1.3
183.11668	2.0
184.07312	5.8
189.11194	1.7
193.12198	40.2
195.13797	4.8
197.13205	1.8
211.13266	53.4
227.12779	5.1
229.14334	2.0
239.17874	1.8
247.20586	2.0
248.98611	1.8
257.18994	7.0
267.15887	28.8
268.16351	2.6
269.17471	27.8
270.17807	2.2
275.20020	37.2
276.20203	1.6
285.16919	58.1
291.19849	1.8
293.21112	6.2
349.23669	25.7
367.24677	11.9
425.74588	1.5
439.26581	3.3
443.27808	5.1
461.28882	31.9
462.29633	1.6
479.29993	100.0
480.30301	4.4
504.73352	1.5
540.98224	1.6
541.35101	21.2
559.36237	55.7
560.36212	2.0
577.37201	21.8
623.34033	6.0
748.57373	1.6
792.38275	7.8
793.39423	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.8
58.60105	2.3
66.65928	2.6
67.05492	13.5
69.03428	4.9
69.07073	15.4
71.05003	6.0
71.42443	3.8
79.05479	4.2
81.03419	3.5
81.07063	17.0
83.08629	3.3
83.78139	2.5
85.02897	22.2
91.05492	3.2
93.07028	8.3
95.08597	20.3
97.02925	4.0
99.08102	3.4
105.07021	8.6
107.08580	11.2
109.02844	3.3
109.10152	63.8
111.11761	2.8
117.07057	3.2
119.08614	4.7
121.10139	7.3
123.08068	5.4
127.03920	3.1
127.11189	26.8
131.08586	3.4
133.10109	6.7
135.11726	3.4
137.05962	5.5
145.04990	5.3
145.10089	8.4
147.11702	7.4
153.01826	6.7
155.08513	3.5
157.10190	5.9
159.11679	7.6
161.09583	2.8
163.06026	4.3
171.11681	3.9
173.09679	4.4
173.13324	2.3
175.11145	4.0
197.13330	2.7
199.14836	4.5
211.14781	3.4
215.14296	3.5
219.49811	2.7
225.16301	4.2
227.14124	2.3
241.19565	2.9
243.17557	4.4
251.18044	5.8
253.19502	8.6
261.14996	2.6
268.18271	4.1
269.18973	6.9
285.18658	4.7
286.19141	13.1
287.19897	5.8
341.24661	4.5
361.28909	12.3
379.29926	26.4
395.29495	4.5
397.31042	100.0
398.31186	8.0
413.30344	7.5
415.32098	39.1
431.31467	2.6
541.35016	6.8
559.36029	7.9
577.36841	5.4
577.84528	2.7
647.34113	2.9
801.29102	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	792.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05507	20.6
57.03437	14.9
57.07061	4.2
60.11708	1.1
61.02910	4.2
61.44019	0.9
65.03926	4.3
67.05499	99.2
68.05864	1.0
69.03432	2.3
69.07064	22.0
71.04974	3.1
75.29771	1.0
77.03907	1.3
79.05485	57.9
81.07050	100.0
82.07394	1.8
83.04990	2.9
83.08614	13.9
85.02890	3.1
85.06531	3.9
91.05473	33.5
93.07037	72.1
93.42786	0.9
94.07359	1.3
95.04965	8.9
95.08600	79.6
96.08917	1.6
97.02853	1.7
97.06528	4.8
97.10172	6.6
105.04492	3.9
105.07018	26.8
106.82224	1.0
107.08583	39.3
109.06504	2.8
109.10148	38.2
111.08060	1.5
115.05443	1.1
117.07009	10.9
119.08566	25.5
121.10128	32.9
123.08073	2.3
123.11696	10.5
129.07034	3.0
131.08559	18.7
133.10121	21.4
135.08089	1.4
135.11678	24.9
137.09560	1.6
137.13239	4.4
141.07007	1.4
143.08557	3.1
145.10104	16.8
147.11673	15.6
149.13239	14.4
150.56770	1.1
151.11209	1.1
151.14769	2.4
157.10110	2.9
159.11664	13.1
161.13266	8.8
163.14804	6.4
171.11691	3.5
173.13235	13.0
175.14862	5.0
177.16341	2.3
185.13200	3.3
187.14825	4.3
189.16328	2.1
191.14388	1.4
199.14870	1.0
201.16406	1.7
203.18007	1.1
213.16490	1.2
231.21167	1.8
241.19420	3.7
243.21069	5.5
259.20569	7.1
261.22083	16.3
263.23788	1.4
279.23068	1.8
299.23502	1.2
317.24625	3.6
333.24194	4.9
333.69049	1.1
335.25763	94.6
336.26224	5.2
337.27344	11.2
367.04608	1.1
388.74329	1.4
581.88757	1.4
595.47144	12.7
613.48224	8.7
663.43329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28289	0.9
69.38280	2.3
69.38670	1.4
70.17247	0.8
77.71056	0.8
79.72320	0.9
95.01079	1.0
96.60855	0.8
98.23447	2.0
113.02122	1.5
137.05969	1.1
145.02853	2.1
159.04218	1.4
167.07014	1.1
172.04964	4.4
177.05472	5.4
185.04198	4.2
185.05684	1.3
216.03996	2.6
243.08418	2.4
244.06792	0.9
365.09827	1.0
387.14413	0.9
435.12631	1.6
552.48560	0.9
793.26648	100.0
794.26843	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	793.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
58.53912	0.5
59.47068	0.6
61.02914	1.8
67.05494	4.3
68.05820	0.5
69.03411	1.3
69.07049	1.9
71.04971	1.2
71.41661	0.6
73.02905	1.4
74.46233	0.5
79.05482	3.3
81.03403	2.2
81.07058	3.4
83.04974	1.1
83.08612	1.0
85.02893	2.3
86.09693	1.0
90.36600	0.5
91.03963	1.2
91.05472	2.3
92.05798	0.6
93.07040	3.3
93.63828	0.5
95.04953	0.9
95.08597	1.7
97.02888	1.9
99.04454	0.6
101.02380	0.9
105.07031	2.7
107.04929	0.6
107.08589	1.6
109.06458	0.6
109.10143	1.3
117.07012	0.8
119.08587	1.3
121.10081	1.2
129.05481	0.7
131.08565	1.0
133.10088	1.6
135.11734	1.1
143.08572	0.9
145.10080	1.1
147.11632	0.9
149.13301	0.9
157.10106	1.0
159.11652	0.5
184.07312	3.4
185.04192	1.0
206.13626	0.6
230.14755	0.6
243.08331	0.9
259.20374	0.7
301.08917	1.5
301.16449	1.3
331.18930	0.6
385.18503	0.8
457.20752	0.7
467.18875	1.2
496.30334	0.7
497.19870	0.7
501.16708	0.8
501.23230	1.3
533.27026	1.0
549.26782	0.9
581.29077	1.1
627.29712	1.6
665.31317	1.2
691.33276	1.0
707.31927	2.4
747.38434	0.8
755.34277	0.8
775.37958	2.0
793.37714	100.0
794.38086	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	793.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.3
60.08158	0.5
61.02921	6.1
67.05495	4.6
69.03418	3.3
69.06647	1.3
69.07064	3.6
70.65829	0.4
70.78513	0.4
71.01380	0.5
71.04993	1.6
71.07372	0.8
73.02903	3.9
73.42281	0.4
79.05482	5.5
81.03408	7.3
81.07053	6.5
83.04982	2.8
83.08608	3.0
85.02893	8.5
85.06544	0.6
86.09695	4.4
86.81841	0.6
87.04501	0.5
87.10031	0.5
91.03951	4.4
91.05470	4.9
92.05854	0.8
93.07036	5.5
95.04955	3.6
95.08608	2.5
97.02869	5.9
97.03374	0.5
97.06544	1.2
97.10183	0.6
98.23475	0.7
98.98492	0.8
99.04488	1.3
101.02349	2.4
103.03956	0.6
105.07011	3.1
106.07330	0.6
107.04963	1.0
107.08593	2.5
109.02850	1.0
109.06491	1.0
109.10145	1.6
111.04443	0.8
111.08083	2.3
114.97483	0.4
115.03957	0.8
117.07034	0.7
119.08574	3.2
120.08887	0.5
121.10156	2.3
123.08096	0.6
124.99950	2.5
125.09636	1.5
127.03891	2.2
129.05504	1.5
129.07027	1.6
131.08533	0.9
133.06444	0.6
133.10155	2.1
135.08112	0.6
135.11684	1.6
147.11719	2.1
149.09639	1.0
153.12775	1.2
157.04941	0.5
157.10179	1.2
162.25291	0.5
163.11235	1.0
168.28987	0.4
175.11220	1.3
181.04727	0.8
184.07318	13.9
184.08829	0.9
185.04214	3.5
185.07765	1.4
193.12216	3.0
194.12622	0.7
199.13425	0.8
201.03764	1.3
203.05351	0.6
211.13342	1.8
221.11563	1.8
227.12866	0.8
233.11327	0.6
241.06775	0.8
243.08356	9.1
243.40166	0.5
249.10971	0.5
250.11896	0.6
251.12508	4.5
255.15802	0.6
267.16052	1.0
274.11472	0.5
275.20166	0.6
276.20520	0.6
277.14163	1.8
285.16971	1.4
286.17477	0.5
289.14172	0.5
293.13705	0.5
301.08896	8.6
307.15176	0.9
313.09015	0.5
315.10446	3.3
327.10580	1.4
329.11948	0.5
341.12219	0.8
343.13821	0.9
349.16229	1.7
355.13632	0.9
357.15347	0.6
369.15240	3.4
371.16891	3.1
373.11002	4.0
383.16864	1.9
385.18213	3.5
387.12799	1.2
395.16968	1.2
415.15994	0.7
423.20297	0.6
429.17621	1.3
433.25385	0.7
439.19379	8.5
439.25821	0.6
440.27298	0.6
443.18991	4.2
451.19162	2.9
457.20261	0.6
467.18805	2.8
469.20428	21.9
470.20883	1.0
471.22495	0.6
479.30478	0.7
480.31009	0.9
485.20206	0.9
497.19971	0.7
499.21823	1.6
511.21982	1.1
539.21075	1.5
541.22467	6.0
542.22760	0.7
553.22638	0.5
555.24500	1.4
560.37030	0.8
565.26056	1.0
567.28180	0.5
569.25873	1.3
578.37091	0.6
583.27350	1.0
595.27191	1.0
597.28717	5.4
609.28595	0.6
611.30322	2.2
612.31183	0.7
621.32599	0.7
649.31146	1.1
650.32874	0.6
667.32886	11.5
668.33679	1.0
678.32135	6.1
679.32629	3.8
695.32489	6.7
696.33142	41.8
697.33594	3.1
793.39630	100.0
794.39862	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	793.398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.7
60.08165	0.8
61.02924	4.5
67.05495	6.7
69.03417	4.2
69.07062	2.5
70.69513	1.2
71.04997	1.6
73.02901	3.5
74.49953	0.6
79.05488	6.4
81.03408	6.2
81.07052	7.5
83.04956	1.4
83.08617	1.5
85.02889	5.6
86.09697	3.6
91.03963	3.4
91.05467	5.7
93.07037	5.2
94.86063	0.5
95.04971	3.2
95.08608	2.1
97.02888	5.3
97.06529	1.2
97.10171	1.2
99.04449	1.3
101.02393	1.9
105.07019	3.9
107.04949	1.9
107.08595	2.4
109.06477	1.0
109.10156	2.4
113.06032	0.7
117.06999	1.4
119.08578	2.7
121.06528	1.1
121.10150	1.7
123.08086	0.8
124.99989	3.1
125.09653	0.7
127.03925	1.8
129.07005	1.8
131.08592	2.2
133.10158	1.8
135.11726	1.1
141.05846	0.5
145.10130	1.7
147.11670	0.9
149.09607	1.5
157.10109	1.1
159.11794	1.0
163.11212	1.3
173.11749	0.8
175.11198	1.0
181.68958	0.6
184.07327	13.4
184.08824	1.0
185.04192	0.7
185.07767	1.7
193.12289	2.1
229.14488	0.8
243.08423	3.2
251.12679	1.1
267.16016	2.6
268.16428	1.6
269.17355	1.0
275.20184	1.3
301.08954	2.0
315.10461	0.8
331.18796	0.9
347.18723	1.0
349.19949	1.7
357.21140	0.6
385.18503	0.9
413.17480	2.9
461.28949	1.1
462.29520	2.2
467.19019	2.4
469.20447	7.6
469.26489	0.9
475.23102	0.6
528.22388	0.9
542.35303	1.2
549.26501	0.9
560.36639	1.1
565.26385	1.4
567.27899	2.0
612.30890	0.9
641.31305	18.4
642.31885	0.9
666.45697	0.7
692.37469	0.9
747.38464	1.2
775.38544	2.6
793.39630	100.0
794.39911	8.5
794.53345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.2
57.07091	0.6
61.02934	6.1
62.82958	0.6
67.05503	5.2
68.05854	0.6
69.03426	4.0
69.07052	3.9
71.01363	0.8
71.05008	1.6
73.02914	4.4
79.05485	4.7
81.03400	5.3
81.07049	4.8
83.05004	2.0
83.08646	1.8
85.02903	7.4
85.06549	1.0
91.03947	3.2
91.05470	4.9
93.07020	4.8
93.88692	0.7
95.01264	0.6
95.05009	2.5
95.08643	2.9
97.02882	5.6
97.06552	1.0
98.22614	1.4
99.04475	1.0
101.02409	1.7
105.07003	4.3
107.04947	1.2
107.08643	2.5
109.02896	1.5
109.10129	0.8
111.04494	0.8
111.08120	0.9
111.15147	0.7
119.08610	2.8
121.10147	1.6
123.08079	0.8
127.03981	1.2
129.05508	0.7
129.07019	1.3
131.08620	2.7
133.10182	2.6
135.11755	1.0
137.09653	0.7
145.10188	1.1
147.11755	1.9
149.09686	2.7
157.10233	1.6
175.09819	0.7
175.11285	1.1
179.14481	0.8
185.04333	2.2
193.12300	1.8
206.61385	0.7
225.14828	0.8
225.99902	0.7
243.08318	5.0
253.14044	0.8
261.11176	1.8
267.16028	0.8
275.20126	0.8
283.15216	1.7
301.08923	6.1
313.17819	1.4
315.10724	2.4
315.19403	4.2
331.15353	0.6
331.18713	3.5
339.17905	0.7
369.15515	1.4
371.22104	1.7
373.11249	2.1
383.16940	1.1
385.18372	4.0
387.21484	1.0
403.14896	0.7
429.17569	2.3
429.22638	1.0
451.19772	1.1
455.19202	2.1
467.19275	0.7
469.20947	2.1
475.23242	1.2
479.19342	1.2
485.21051	0.8
501.22989	14.2
513.26624	1.7
531.25836	1.3
533.27167	7.0
539.20673	5.1
539.27686	0.8
549.27429	1.9
603.28589	1.0
608.28448	0.9
621.29102	2.0
623.30511	3.2
649.32355	1.3
691.36530	2.3
692.36981	1.0
695.33032	1.5
707.32556	0.9
775.39313	2.0
776.40356	0.9
793.42896	100.0
794.42749	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	793.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.9
57.07087	0.6
60.08183	0.7
61.02922	5.0
67.05496	8.9
67.05805	0.6
68.05804	0.5
69.03423	3.8
69.07070	4.2
69.62382	0.5
71.01364	0.6
71.04991	1.4
73.02905	3.7
77.35779	0.5
79.05485	7.9
79.05888	0.7
81.03413	5.4
81.07054	8.2
83.05009	2.2
83.08633	2.2
85.02898	7.1
85.03328	0.6
86.09702	3.0
91.03955	4.4
91.05472	7.6
91.05976	0.6
93.07027	6.6
95.04970	3.2
95.08593	3.7
97.02887	5.1
97.06559	1.2
97.10201	1.3
97.91859	0.6
99.04460	1.1
101.02377	2.6
102.53745	0.6
103.03986	0.8
103.19616	0.5
105.07021	4.9
107.04983	0.9
107.08589	4.1
108.08932	0.6
108.73369	0.5
109.02934	1.1
109.06536	1.2
109.10201	2.2
110.10522	0.6
113.06030	0.6
117.07068	1.2
117.60399	0.5
119.08631	2.5
121.10191	1.7
123.11674	0.7
124.99982	2.6
125.09667	1.4
127.03938	1.2
129.05524	0.7
129.07005	1.2
131.08591	1.5
133.06540	0.7
133.10080	2.6
135.08144	0.7
135.11659	0.6
145.05008	0.6
145.10179	2.3
147.11729	2.4
149.13301	0.7
155.93875	0.5
157.10167	1.0
159.11783	0.9
161.09781	0.8
161.13319	0.6
163.11142	0.7
171.11755	1.5
184.07314	9.7
185.04359	1.5
193.12398	0.8
201.03862	0.7
240.06625	1.1
243.08339	4.3
247.13145	0.8
275.20038	0.7
301.09042	2.0
315.10666	1.1
318.12982	0.5
331.19073	1.7
351.21689	2.1
355.13989	0.6
357.15631	0.7
362.59164	0.6
371.16559	0.6
373.11349	1.2
385.18542	1.6
398.92377	0.6
404.58008	0.8
407.24362	0.8
439.19571	0.7
443.19305	0.5
462.30435	0.6
464.35129	0.6
465.21014	6.5
467.19269	0.7
469.20758	2.1
485.20251	0.8
516.34375	0.7
541.22760	0.9
549.25024	1.2
560.36792	1.1
569.29358	6.1
598.30231	0.7
621.28479	0.6
633.32660	1.6
663.33362	0.8
775.39142	1.2
776.38690	0.7
793.42578	100.0
794.42871	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	795.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.3
57.03438	0.6
60.08164	0.2
61.02915	1.5
67.05501	1.7
67.88386	0.2
69.03421	1.2
69.07066	0.6
69.29108	1.1
70.06577	0.6
71.04967	0.2
72.65798	0.2
73.02918	1.2
79.05494	1.4
81.03403	1.7
81.03780	0.2
81.07055	1.7
83.04991	0.5
83.08607	0.5
85.02893	1.5
86.09711	0.9
91.03955	1.0
91.05457	1.4
93.07045	1.7
95.04970	0.4
95.08609	0.7
97.02881	1.7
97.10178	0.4
99.04464	0.4
101.02393	0.9
103.03951	0.2
103.60105	0.2
105.07034	0.7
107.08598	0.9
109.02870	0.3
109.06542	0.3
109.10140	0.4
119.08584	0.7
121.10165	0.7
123.08036	0.2
125.00023	0.7
127.03843	0.4
131.00162	0.3
131.08586	0.5
133.10139	0.4
135.11685	0.3
144.04631	0.2
145.10150	0.4
147.11726	0.3
149.01276	0.4
149.02382	0.7
149.09619	0.2
150.02652	0.2
163.11130	0.3
175.11256	0.2
184.07318	2.8
185.04341	0.6
185.07750	0.4
193.04980	0.4
200.20152	0.8
209.11769	0.2
223.13213	0.3
243.08401	1.2
249.08246	0.3
251.09673	0.2
267.09027	1.0
269.10690	0.6
285.10010	1.0
287.11819	0.3
301.09137	0.7
309.10257	0.3
311.11691	0.2
313.09128	0.3
315.10608	0.3
331.18793	0.4
333.20374	0.4
373.11160	0.2
385.18399	0.4
387.21841	0.2
413.18036	0.4
443.18781	1.0
453.08878	0.2
467.18954	0.7
469.20227	1.2
485.16571	1.5
487.21506	1.2
549.26874	0.6
551.28473	0.8
567.25818	0.8
645.37384	0.2
667.32385	0.2
693.34100	1.3
697.33734	0.5
707.35999	0.6
709.34277	0.8
719.36505	0.4
749.40295	0.6
751.38538	0.3
777.40753	1.3
786.17145	0.2
795.39746	100.0
796.40027	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	795.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
61.02930	1.9
61.98675	0.4
67.05507	2.0
69.03428	0.9
69.07057	1.1
69.13467	2.7
73.02923	1.2
79.05502	1.7
81.03428	1.2
81.07054	2.1
85.02922	1.8
86.09694	1.1
88.07623	0.6
91.03934	0.8
91.05489	1.6
93.07053	1.5
95.04960	0.6
95.08595	0.9
97.02907	1.6
101.02364	0.9
105.07035	0.6
107.08628	0.8
109.02902	0.5
109.10146	0.8
119.08619	1.1
121.10156	0.9
125.00080	1.1
127.03966	0.6
142.02525	0.5
147.11794	0.6
149.02335	0.8
157.10129	0.4
184.07312	3.9
185.04289	0.7
193.04936	0.7
200.20140	1.0
243.08438	1.3
267.09109	1.6
285.10297	1.4
285.16885	0.4
301.08862	0.7
333.20447	0.7
376.11752	0.5
467.18860	1.0
469.20383	1.1
485.17471	1.4
517.65375	0.5
534.71600	0.5
549.26776	0.6
551.28339	1.1
693.34631	3.0
697.32733	0.8
707.35443	1.2
709.33734	0.9
726.73560	0.5
749.40222	0.8
777.40155	1.8
795.39734	100.0
796.40088	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	795.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47377	1.1
57.03418	3.1
61.02908	6.3
67.05506	5.2
69.03416	3.5
69.07071	1.7
69.85185	2.8
71.04975	2.7
73.02902	4.6
79.05482	5.1
79.19772	0.9
81.03410	3.7
81.07039	3.8
85.02892	5.8
86.09683	1.0
86.46964	1.0
87.04461	1.3
91.03932	3.9
91.05468	6.1
93.07070	6.4
95.04959	2.6
95.08587	3.5
97.02874	5.1
97.06524	1.0
98.22807	2.0
101.02419	1.3
105.06998	4.9
107.08562	2.7
109.06464	1.3
109.10175	2.6
119.08578	2.9
121.10151	2.6
123.08063	1.0
127.03888	1.9
131.08559	1.9
133.10115	3.7
135.11646	1.2
147.11667	1.8
149.09572	1.2
184.07327	3.1
193.12201	1.7
243.08369	4.8
267.16229	1.0
283.15213	4.0
291.55679	1.1
301.08759	2.3
315.10422	1.3
317.33908	1.0
349.16913	1.1
465.20770	1.4
469.19992	1.2
501.16254	1.5
501.23026	14.0
523.12622	1.1
535.28766	5.1
541.20520	1.4
551.28094	1.1
573.24817	1.8
623.60980	1.1
625.30011	1.5
709.31818	68.2
710.32159	3.4
727.60223	1.0
749.40625	2.1
777.38586	2.4
795.44879	100.0
796.44714	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	795.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47377	1.1
57.03418	3.1
61.02908	6.3
67.05506	5.2
69.03416	3.5
69.07071	1.7
69.85185	2.8
71.04975	2.7
73.02902	4.6
79.05482	5.1
79.19772	0.9
81.03410	3.7
81.07039	3.8
85.02892	5.8
86.09683	1.0
86.46964	1.0
87.04461	1.3
91.03932	3.9
91.05468	6.1
93.07070	6.4
95.04959	2.6
95.08587	3.5
97.02874	5.1
97.06524	1.0
98.22807	2.0
101.02419	1.3
105.06998	4.9
107.08562	2.7
109.06464	1.3
109.10175	2.6
119.08578	2.9
121.10151	2.6
123.08063	1.0
127.03888	1.9
131.08559	1.9
133.10115	3.7
135.11646	1.2
147.11667	1.8
149.09572	1.2
184.07327	3.1
193.12201	1.7
243.08369	4.8
267.16229	1.0
283.15213	4.0
291.55679	1.1
301.08759	2.3
315.10422	1.3
317.33908	1.0
349.16913	1.1
465.20770	1.4
469.19992	1.2
501.16254	1.5
501.23026	14.0
523.12622	1.1
535.28766	5.1
541.20520	1.4
551.28094	1.1
573.24817	1.8
623.60980	1.1
625.30011	1.5
709.31818	68.2
710.32159	3.4
727.60223	1.0
749.40625	2.1
777.38586	2.4
795.44879	100.0
796.44714	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	795.3916
Annotation	Rediocide B
Peak:m/z	Relative Intensity
57.03432	1.9
61.02921	2.2
62.49624	0.5
63.80099	0.5
67.05502	1.8
69.03421	1.9
69.07038	1.1
70.06615	0.7
71.42886	0.7
73.02910	1.9
79.05491	2.1
81.03432	1.9
81.07047	3.0
83.08620	1.1
85.02902	2.4
86.09720	0.7
91.03959	1.1
91.05476	2.1
91.10691	0.5
93.07044	2.0
95.04960	1.0
95.08605	1.5
97.02897	2.4
99.04520	0.6
101.02408	1.5
105.07033	1.1
107.04974	0.5
107.08602	1.5
109.10152	0.9
116.92604	0.5
119.08559	0.9
121.10152	1.7
127.03884	0.8
129.07100	0.6
131.00131	1.2
131.08562	0.7
133.10107	0.8
137.40874	0.5
137.49606	0.5
145.10109	0.7
149.01248	0.7
149.02406	0.6
163.11124	0.7
184.07352	1.0
185.04285	1.3
200.20001	0.6
204.21638	0.5
205.02170	0.5
243.08519	1.1
267.09055	1.6
285.10205	1.4
301.08859	2.5
303.88461	0.5
309.10065	0.6
346.27176	0.5
383.16818	0.6
385.18423	1.3
439.19516	1.2
443.18832	1.0
467.18979	0.8
469.20499	2.3
485.17706	1.5
533.27673	0.7
541.22565	1.1
551.27771	2.6
623.29657	0.8
667.33362	0.8
693.37036	0.6
697.34723	0.8
709.34595	1.1
749.40216	1.6
777.40405	2.7
795.39825	100.0
796.39868	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	795.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
59.92833	0.8
61.02925	5.7
67.05501	11.5
69.03432	4.1
69.07066	1.5
71.42484	0.7
73.02888	4.1
79.05490	4.0
80.84296	0.8
81.03408	3.1
81.07052	6.7
83.04968	1.4
83.08611	1.8
83.43389	0.8
85.02895	7.0
91.03951	4.5
91.04432	0.8
91.05460	3.2
92.22108	0.8
93.07008	5.4
95.04977	1.4
95.08599	2.4
97.02905	4.6
99.04491	1.3
101.02364	2.3
105.07050	0.9
107.08588	2.5
109.02806	1.2
109.10143	6.8
109.24658	0.9
110.10506	0.8
111.08099	0.9
117.07009	1.1
118.67170	0.8
119.08559	1.5
121.10117	1.5
127.03939	2.0
131.08600	0.8
133.10059	1.3
147.11661	0.9
149.13268	2.7
153.13873	0.8
159.11777	0.9
170.27899	0.8
173.11697	2.4
177.12646	1.1
184.07352	1.7
185.04185	1.8
185.64575	0.7
195.09888	1.9
195.13680	1.0
210.50208	0.8
229.14293	1.5
235.13095	3.2
243.08315	4.1
269.17545	1.5
301.08951	3.8
315.10764	1.1
333.16940	1.4
340.52646	1.0
373.11005	1.5
379.17114	0.9
383.16696	0.9
385.18277	2.3
413.17773	14.4
441.20560	1.2
443.18851	1.9
453.20779	14.9
465.20734	1.7
469.20428	1.9
485.23984	1.1
525.22754	1.9
625.31842	100.0
626.32001	7.8
653.34723	2.9
665.34271	2.0
681.34058	3.6
709.37878	3.9
749.44482	5.1
777.42950	1.7
795.42773	26.6
796.42426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
61.02925	4.3
67.05491	3.9
69.03422	3.1
69.07065	1.4
70.70592	0.7
71.04996	1.8
72.90437	0.5
73.02914	3.5
79.05473	4.7
81.03405	4.4
81.07053	3.9
83.04987	1.3
83.08614	1.3
85.02895	6.1
91.03934	3.0
91.05472	3.9
93.07040	2.8
95.04982	2.0
95.08614	1.3
97.02858	3.8
97.06516	2.8
99.04427	0.8
99.08097	0.5
101.02379	1.5
104.67420	0.5
105.07021	2.1
107.08583	1.7
109.02845	0.8
109.06559	0.4
109.10182	0.5
111.08004	0.6
112.94551	0.5
117.07032	0.5
119.08600	1.3
121.10184	1.3
123.08064	0.8
127.03915	1.1
129.07033	1.1
131.08614	1.8
133.10149	0.8
135.11736	0.5
137.05777	0.6
143.08835	0.4
145.10057	0.7
147.11647	0.6
157.10118	0.9
172.84203	0.4
175.11223	0.6
184.07431	1.4
193.12297	0.8
211.13300	0.8
243.08475	2.7
251.12614	0.7
319.19058	0.5
349.19843	6.1
405.22607	1.0
439.19528	1.8
453.21002	0.7
467.19049	0.9
469.20334	8.3
547.45306	0.5
567.27612	4.4
681.33551	0.6
795.41229	100.0
796.41492	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	795.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
58.66672	0.4
59.16351	0.4
61.02921	4.3
67.05502	4.1
69.03428	2.7
69.07076	1.8
70.69872	0.6
71.04999	0.5
73.02907	3.8
78.43014	0.3
79.05486	3.8
81.03408	3.6
81.07043	3.3
82.07405	0.4
83.04992	1.2
83.08614	1.2
85.02894	5.4
86.03217	0.3
86.09689	0.5
87.04459	0.5
91.03958	2.8
91.05466	3.5
93.07045	2.3
95.04964	2.2
95.08625	1.8
97.02887	4.4
97.06540	0.7
97.10135	0.9
98.37740	0.4
99.04473	0.8
101.02370	2.0
102.08228	0.3
103.03989	0.4
105.07013	2.5
107.04947	1.0
107.08598	1.3
109.02889	0.8
109.06518	0.9
109.10151	0.9
109.72348	0.4
111.04448	0.6
111.08071	0.7
119.08598	1.7
121.06550	0.5
121.10152	1.5
123.08096	0.8
125.09660	1.0
127.03943	1.3
129.05508	0.4
129.07048	0.9
131.08525	0.7
133.10165	0.8
140.64667	0.4
145.10123	0.6
147.08064	0.5
147.11659	0.8
149.09558	0.6
157.10175	0.5
161.47974	0.4
163.11229	0.9
175.11211	0.8
184.07407	0.5
185.04271	0.8
193.12292	1.3
201.03659	0.6
203.05418	0.4
211.13222	0.6
241.06793	0.8
243.08415	3.2
251.12558	0.8
291.19601	0.5
301.08960	1.0
349.19806	2.2
369.15540	0.4
383.16736	0.6
405.22913	0.7
469.20438	8.9
470.20639	0.5
497.20502	0.4
541.22803	1.3
567.27716	5.2
631.31708	0.4
795.41241	100.0
796.41608	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	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.6
61.02922	6.3
66.50160	0.8
67.05499	3.2
69.03426	3.7
69.07065	2.6
69.25682	0.9
70.66071	1.9
71.04967	1.1
73.02922	4.7
79.05493	2.8
81.03416	2.1
81.07056	3.7
83.04993	1.1
83.08624	1.5
85.02908	5.7
91.03960	5.3
91.05489	2.6
93.07048	4.3
95.08614	1.1
97.02866	4.7
97.06553	1.0
101.02380	2.0
105.07063	1.8
107.08580	2.7
109.10159	0.8
115.03902	0.8
119.08597	1.5
121.10139	1.8
127.03938	2.4
128.62547	0.9
129.05547	1.8
131.08624	0.9
133.10115	1.6
135.11719	2.6
138.59729	0.8
157.10286	0.9
181.04688	1.1
181.12233	0.8
185.04216	2.7
192.68318	0.9
201.03755	1.1
211.13348	1.1
239.30501	0.8
241.06763	1.1
243.08382	5.8
251.12581	1.4
263.12631	1.3
301.08896	11.6
315.10529	2.3
329.12378	1.0
333.20370	4.0
341.12103	1.2
357.15341	1.4
369.15359	0.9
371.16608	1.1
373.11166	3.6
373.23688	1.8
385.18207	5.4
401.14343	1.2
429.17227	2.3
431.23874	2.3
439.19351	7.7
469.20380	8.5
477.24780	2.9
481.20541	3.5
485.20181	1.7
499.21225	1.1
500.22473	1.9
515.33698	2.0
541.22479	11.5
551.28223	8.5
584.32239	1.4
597.29047	1.3
610.29932	1.1
623.30109	5.6
625.31580	4.1
637.32251	2.4
651.32715	1.6
667.33026	24.4
667.43695	1.7
668.33606	2.3
693.38184	3.4
694.39325	1.5
709.34180	8.1
749.40643	1.3
777.40027	6.0
778.40363	1.6
795.41113	100.0
796.41260	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	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.2
61.02921	5.5
63.64951	0.7
67.05509	3.3
69.03419	4.1
69.07073	1.1
69.96455	2.3
70.47097	0.7
71.04981	1.0
73.02916	5.1
75.02264	0.7
79.05492	3.9
79.05922	0.7
81.03419	4.3
81.07040	3.6
83.04984	1.7
83.08598	1.3
85.02895	7.1
91.03969	4.5
91.05469	3.6
93.07060	2.5
95.04984	2.1
95.08604	1.4
97.02879	5.5
97.06533	0.9
97.15675	0.7
99.04440	1.0
101.02410	2.3
105.07054	1.4
107.04932	0.8
107.08610	2.4
109.02886	2.0
109.10181	2.0
119.08609	2.6
125.09655	0.9
127.03963	2.9
129.05482	1.4
131.08533	1.2
133.10167	2.1
133.67001	0.7
135.11749	1.7
147.11757	1.3
157.10146	1.2
175.11194	0.8
184.07413	1.4
185.04227	4.5
193.12233	1.5
201.03801	1.9
203.05266	1.0
211.13248	1.7
221.11514	0.8
243.08371	5.7
251.12619	2.5
255.15947	1.1
277.13983	1.9
301.08899	10.4
315.10693	3.2
341.12195	1.2
349.16080	1.5
355.13669	1.5
357.15491	1.7
367.17099	1.4
369.15274	1.1
373.10925	4.6
383.16879	1.7
385.18329	6.2
395.17007	1.4
413.17816	2.2
422.06418	0.8
426.33649	0.9
429.17758	2.3
439.19431	4.6
443.19077	2.5
450.08203	0.9
457.20459	2.0
469.20398	17.5
470.21063	1.0
481.20740	2.6
485.19772	2.1
499.21509	2.7
500.21954	1.4
511.21631	1.0
515.34967	0.8
527.28296	1.1
528.21997	3.9
541.22565	6.8
551.28278	2.0
555.24713	1.8
569.25891	1.2
583.30328	1.7
588.07019	0.8
611.30255	2.3
612.31323	3.7
623.30750	1.2
641.31506	3.5
667.33032	15.9
709.33978	30.0
710.33875	1.9
749.40063	1.3
777.40015	5.0
778.41473	1.4
795.41113	100.0
796.41656	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	795.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.1
61.02921	4.1
67.05485	3.2
69.03426	2.6
69.07062	2.1
69.94215	0.6
71.04992	1.2
71.28587	0.5
73.02908	3.2
79.05499	3.9
81.03416	3.1
81.07062	4.6
83.05007	0.7
83.08627	1.2
85.02886	4.2
86.09727	0.7
88.79913	0.5
91.03951	3.1
91.05482	2.6
93.07048	2.7
95.04967	1.5
95.08607	2.0
97.02882	4.7
97.06522	1.1
99.04441	1.1
101.02381	1.6
105.07056	2.1
107.04960	1.1
107.08611	1.8
109.10166	1.7
111.08103	0.7
117.07028	1.0
119.08561	1.6
121.10147	1.9
123.04521	0.6
125.09634	0.7
127.03869	0.9
129.06976	0.9
131.08514	0.7
133.10129	1.7
135.11711	1.4
145.10054	0.7
147.11739	0.9
159.11705	0.7
184.07404	2.7
184.61546	0.6
185.04221	1.7
191.10739	0.6
193.12323	1.0
193.82176	0.6
243.08372	3.5
250.30775	0.6
251.12488	0.6
267.09097	1.0
285.10086	1.1
301.09055	3.1
313.08820	0.8
315.10565	0.6
373.11160	1.6
385.18362	1.3
389.61783	0.7
413.17902	0.6
439.19360	1.4
443.18942	1.5
453.21158	1.2
469.20410	4.6
485.18484	1.4
487.21115	1.1
507.42224	0.6
531.26239	1.3
533.27301	0.8
541.22913	1.3
549.26288	1.3
551.28259	3.6
610.29578	0.7
667.32764	2.8
693.37848	0.8
697.33521	2.6
709.33636	3.8
725.34393	0.7
749.40564	2.6
777.40179	5.2
778.41107	0.8
795.40576	100.0
796.40747	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	795.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12179	0.4
57.03446	0.9
57.07082	0.5
60.08168	0.9
60.38886	0.5
61.02930	1.8
65.94441	0.4
67.05505	1.6
67.94719	0.6
69.03423	0.9
69.19012	2.1
69.19411	1.1
69.93239	0.5
71.07372	0.7
73.02930	1.0
73.78310	0.5
79.05472	1.0
81.07055	2.1
83.08596	0.5
85.02913	1.5
86.09695	4.1
87.04469	1.5
91.03964	1.2
91.05474	0.7
93.07075	1.3
95.08645	1.2
97.02895	0.9
98.22703	1.0
98.98467	0.6
107.08649	0.7
109.10152	1.3
124.99975	3.5
127.03955	0.6
184.07338	12.4
185.07646	1.2
207.99274	0.5
243.08427	1.0
346.69302	0.5
413.17844	1.5
519.29388	2.4
535.26599	0.8
665.43372	0.9
683.45343	1.3
691.40173	23.9
692.40552	1.3
795.42773	100.0
796.43353	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	795.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.05008	0.9
59.83544	0.4
60.56785	0.4
61.02922	3.8
64.01595	0.4
67.05498	4.3
67.05762	0.4
69.03417	2.7
69.07078	1.0
69.69634	1.3
69.69978	0.5
71.01370	0.8
71.05010	1.1
73.02913	3.1
79.05482	5.4
81.03405	3.5
81.07056	3.7
83.04975	0.6
83.08636	1.1
85.02894	4.3
87.04465	0.7
91.03927	2.9
91.05465	4.5
93.07045	4.9
95.04986	1.4
95.08634	1.8
97.02894	4.2
97.03378	0.4
99.04453	0.6
101.02413	1.2
103.03953	0.5
105.07021	2.8
107.08580	2.8
109.02879	1.0
109.10190	0.9
115.03949	0.5
117.07063	1.0
119.08541	2.3
121.10202	2.0
127.03973	1.2
129.05525	0.4
129.06999	0.8
131.08528	2.0
133.10193	1.9
135.11728	1.1
145.04932	0.8
147.11725	1.8
149.09705	0.7
157.10136	0.7
161.13297	0.5
175.11281	0.7
184.07452	1.0
185.04257	0.8
193.12346	1.2
234.20422	0.4
243.08447	3.6
265.14227	0.6
267.15952	0.5
283.15167	3.5
301.09171	1.5
315.10684	0.8
339.17941	0.8
373.11057	0.6
381.18906	0.8
383.56528	0.5
427.55359	0.4
469.20508	0.9
501.23019	10.6
535.28680	7.7
573.25354	1.4
633.39905	0.5
643.33630	0.6
705.38037	0.6
709.31970	8.9
710.32635	0.7
749.40552	0.5
777.37360	0.7
779.64752	0.5
795.44995	100.0
796.45404	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	795.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
57.07062	0.6
61.02919	4.8
67.05499	6.2
67.31252	0.5
69.03432	2.8
69.07060	0.6
69.14312	3.4
73.02919	4.1
79.05478	1.7
81.03414	1.0
81.07054	3.6
85.02896	5.0
87.04469	1.1
91.03956	3.9
91.05485	1.2
93.07032	3.6
95.04974	0.7
95.08619	2.9
97.02876	4.4
99.04459	0.7
101.02374	1.4
104.48354	0.6
105.07012	0.7
107.08606	1.4
109.02894	0.8
109.10144	5.2
119.08520	0.7
121.10172	0.8
123.11754	0.6
127.03941	2.4
135.11650	0.8
173.11713	1.2
184.07350	0.6
185.04260	1.0
195.09969	1.1
243.08388	2.3
265.11639	0.6
277.36877	0.6
335.25906	0.9
413.17813	7.1
454.87457	0.6
517.23438	0.8
519.29242	7.5
683.43896	0.7
689.68146	0.6
691.40192	100.0
692.40454	7.6
795.44189	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	795.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
57.07062	0.6
61.02919	4.8
67.05499	6.2
67.31252	0.5
69.03432	2.8
69.07060	0.6
69.14312	3.4
73.02919	4.1
79.05478	1.7
81.03414	1.0
81.07054	3.6
85.02896	5.0
87.04469	1.1
91.03956	3.9
91.05485	1.2
93.07032	3.6
95.04974	0.7
95.08619	2.9
97.02876	4.4
99.04459	0.7
101.02374	1.4
104.48354	0.6
105.07012	0.7
107.08606	1.4
109.02894	0.8
109.10144	5.2
119.08520	0.7
121.10172	0.8
123.11754	0.6
127.03941	2.4
135.11650	0.8
173.11713	1.2
184.07350	0.6
185.04260	1.0
195.09969	1.1
243.08388	2.3
265.11639	0.6
277.36877	0.6
335.25906	0.9
413.17813	7.1
454.87457	0.6
517.23438	0.8
519.29242	7.5
683.43896	0.7
689.68146	0.6
691.40192	100.0
692.40454	7.6
795.44189	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	797.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00031	0.4
57.03438	2.2
57.73748	0.4
61.02920	5.1
62.78368	0.4
66.83991	0.4
67.05495	3.4
69.03416	3.5
69.07058	2.7
69.28812	1.4
69.29208	1.0
71.01342	0.5
71.04969	1.0
72.37513	0.4
73.02906	3.7
74.15917	0.4
79.04026	0.4
79.05484	4.1
81.03419	3.7
81.07047	6.4
83.04994	1.1
83.08614	1.6
85.02898	6.4
87.04469	0.6
91.03942	2.5
91.05464	4.1
93.07024	2.6
95.04955	2.2
95.08608	1.7
97.02879	4.3
97.06574	0.6
97.10178	1.1
99.04462	1.1
101.02354	2.3
105.07032	2.0
107.08578	1.9
109.02927	1.0
109.10156	1.0
111.08103	0.5
113.06055	0.5
113.95857	0.4
117.07010	0.5
119.08579	2.4
121.10143	1.4
125.09665	1.0
127.03918	1.3
129.07022	0.8
131.08580	1.3
133.10115	2.2
135.08055	0.4
135.11679	0.8
147.11702	1.1
149.09630	0.6
154.26991	0.4
157.10094	0.9
168.73293	0.4
175.11171	0.8
180.92093	0.4
185.04324	0.6
193.12285	1.4
211.13336	0.7
243.08456	3.1
248.05951	0.5
251.12569	1.4
351.21539	2.8
374.81110	0.5
407.23978	1.0
469.20383	9.3
471.21619	0.5
499.21536	0.6
569.29236	6.7
648.32367	0.5
797.42780	100.0
798.29242	0.6
798.43225	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	798.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	22.3
67.05489	2.4
71.42912	0.9
71.68147	0.9
79.05476	2.1
81.03397	1.1
82.04196	3.2
85.02893	1.1
91.05473	8.1
93.03412	9.2
93.92244	0.9
95.01311	2.8
95.04952	6.0
97.06497	1.1
103.05477	3.9
105.04483	1.2
105.07022	2.5
107.04921	5.5
108.02084	2.1
110.03648	19.5
111.04442	27.3
115.05412	1.9
117.06969	1.1
119.04939	6.8
121.02859	17.3
121.03797	1.3
121.06487	1.7
122.09662	0.9
123.04411	2.8
125.05975	24.7
129.06999	1.8
131.04901	6.5
133.02803	6.2
133.06483	3.7
135.04407	2.1
137.05972	15.2
138.03122	1.6
144.05623	1.0
145.06488	4.0
147.04387	6.8
147.08034	2.6
149.05954	3.5
151.03871	2.6
151.07510	5.2
153.05453	100.0
154.05804	2.0
158.07312	1.0
159.07976	5.1
161.05959	6.4
162.06711	2.2
163.07492	3.0
165.06908	2.3
167.07034	31.3
167.08469	1.9
172.45496	0.9
173.06000	1.3
174.06647	1.1
175.07524	8.9
176.04640	1.3
177.05423	2.1
179.06970	6.1
179.08437	2.1
181.04936	2.4
181.06508	1.5
182.07256	1.3
183.08034	1.1
187.07515	7.1
188.08305	1.7
189.07008	1.0
189.09161	1.7
191.06996	4.9
191.08560	3.5
193.06461	1.3
194.07169	1.2
195.08087	3.7
197.09514	1.5
199.07578	3.5
202.07782	1.8
203.06958	2.1
203.08658	1.6
204.07849	1.3
205.06503	1.9
205.08530	1.2
206.07184	2.2
207.08051	3.4
208.08792	2.0
209.06084	1.6
209.09695	1.6
210.06731	2.3
211.07538	2.0
214.66902	0.9
215.06990	1.0
216.07819	3.0
217.06487	1.2
217.08583	2.2
218.07274	2.6
219.08081	5.4
220.08804	2.0
221.05949	3.0
221.09534	2.0
222.06720	1.5
223.07497	4.2
224.08322	2.5
225.09036	5.3
226.06230	2.8
229.08582	1.4
231.08131	1.3
233.09569	1.2
234.06757	2.1
235.07495	4.3
236.08365	4.9
237.09036	4.0
239.07001	6.7
239.10689	3.0
240.07666	1.8
241.08530	1.1
246.06810	2.0
247.07416	2.9
247.09631	15.2
248.08197	1.9
249.05426	1.5
249.09149	3.8
250.09779	1.4
251.06975	3.6
251.10631	6.5
252.07771	1.1
253.08577	13.5
254.09331	3.1
261.08957	1.5
263.06946	2.8
263.10522	2.0
264.07883	4.7
265.08606	5.4
266.09357	4.7
267.10043	4.6
268.10794	1.3
269.08878	1.1
269.11771	6.7
272.83713	1.2
275.07089	1.7
276.07758	2.0
277.08517	2.8
279.06952	0.9
279.10110	4.8
280.07410	1.2
281.08167	2.2
281.11526	2.5
282.08868	3.9
283.09631	2.6
291.10083	1.3
293.08032	2.1
294.08832	1.8
295.09583	4.0
296.10434	1.3
297.11179	11.3
307.09662	8.9
308.10428	2.2
309.11041	4.5
310.11810	1.3
311.09241	1.6
311.12698	2.4
313.10605	2.0
319.09708	1.3
321.11160	3.0
324.09818	1.4
325.10678	55.3
326.11212	3.1
327.12222	7.4
329.13712	3.5
337.10721	5.1
338.11584	1.2
339.12250	31.3
340.12787	2.1
341.13809	16.1
351.12360	4.7
353.13831	3.2
355.11743	8.1
357.13300	80.4
358.13586	2.7
359.15118	1.1
369.13300	7.0
371.14981	2.1
387.14191	2.9
474.67450	1.1
487.17230	1.4
499.17496	2.2
517.18481	2.3
529.18634	1.4
535.19495	7.8
536.19458	1.0
547.19263	1.3
583.87482	1.0
797.54980	5.8
798.55304	4.8
809.44269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	21.8
66.19275	0.7
67.05483	2.8
79.05482	1.5
82.04197	3.8
85.02887	1.3
85.23524	0.7
90.92161	0.7
91.05464	6.3
93.03401	8.3
93.07032	0.9
95.01315	1.8
95.04969	4.7
97.06526	1.4
103.05476	3.8
105.03380	1.3
105.04541	1.3
105.07004	2.8
107.04941	4.1
108.02081	1.2
110.03652	20.7
110.04420	1.0
111.04436	27.0
115.05447	2.0
117.07030	1.6
119.04903	4.8
119.08522	0.8
121.02853	17.6
121.06463	2.2
122.03668	1.0
123.04439	1.4
125.05974	25.2
129.06987	2.2
129.72804	0.8
131.04913	5.3
133.02881	4.4
133.06479	1.9
135.04399	1.7
137.05966	9.9
138.03101	2.4
144.05713	0.9
145.06425	3.3
146.07233	1.7
147.04370	4.6
147.08075	1.6
149.02353	0.8
149.05946	2.2
151.03835	2.0
151.07523	2.7
153.01952	3.6
153.05453	100.0
154.05795	2.4
157.06442	1.1
159.08046	5.3
161.05965	6.4
162.06715	1.8
163.03868	1.1
163.07549	3.5
165.05591	1.6
165.06996	2.5
166.07797	1.0
167.07039	19.1
167.08424	1.2
171.04254	0.9
173.05954	1.6
175.07565	4.7
177.05499	2.0
177.06946	1.0
178.07755	1.8
179.07025	3.4
179.08488	1.1
181.04968	2.1
181.06494	2.4
182.07268	1.0
187.07541	4.7
188.08327	1.9
189.05377	1.0
189.07042	1.0
189.08994	1.4
190.07748	1.6
191.06967	2.3
191.08548	2.6
193.06485	0.9
194.07291	1.9
195.08066	2.9
199.07454	1.7
202.07805	1.6
203.06950	1.7
203.08632	1.4
204.07741	1.1
204.54071	0.7
205.06364	1.3
206.07271	1.4
207.08061	2.9
208.08746	1.4
209.09660	1.1
210.06734	2.1
211.07475	1.9
215.06978	1.3
216.07788	3.7
217.08321	1.0
218.07251	1.6
219.08060	4.2
220.08730	3.6
221.06007	2.3
221.09641	1.2
222.06740	1.3
223.07530	5.3
223.11198	1.0
224.08189	1.7
225.09109	4.0
226.06271	2.9
229.08675	0.9
231.08188	0.9
233.09628	1.5
234.06773	1.7
235.07504	3.4
236.08263	5.2
237.09123	3.3
238.06195	1.2
239.06961	6.2
239.10693	1.8
240.07829	1.2
241.08632	1.3
246.06819	1.4
247.07436	3.6
247.09669	13.6
248.08336	2.5
249.05505	0.9
249.09108	2.5
250.06238	1.1
250.09846	1.0
251.06967	3.7
251.10696	5.5
252.07837	1.0
253.08588	11.4
254.09331	3.7
255.10143	1.6
261.09183	1.9
262.06259	0.8
263.07037	2.3
263.10785	1.0
264.07858	3.5
265.08566	8.0
266.09335	2.2
267.10172	3.4
268.10822	1.0
269.11652	5.2
271.09732	1.3
275.07047	1.7
277.08582	1.8
278.09210	1.5
279.06958	0.9
279.10144	3.4
281.08118	1.9
281.11581	2.2
282.08823	3.6
283.09686	3.7
289.08646	1.4
291.10327	1.1
292.07153	1.0
293.08081	2.2
294.08963	1.3
295.09576	3.3
296.10388	0.8
297.11215	10.8
299.09021	1.0
307.09637	8.0
308.10327	1.6
309.07654	1.4
309.11160	3.8
310.11807	1.0
311.09277	0.8
311.12646	1.9
313.10745	1.8
319.09549	1.5
321.11234	1.3
323.12750	1.0
325.10660	59.7
326.11038	4.0
327.12173	7.6
329.13806	1.9
337.10715	3.7
339.12219	27.3
340.12601	1.7
341.13760	10.6
351.12018	4.5
353.13678	2.5
355.11807	5.4
357.13275	78.5
358.13660	3.3
369.13275	5.5
387.14221	3.9
487.17780	1.2
499.16992	1.3
517.18524	1.4
535.19598	8.7
547.19763	1.3
589.62415	0.9
798.29504	2.1
799.30273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	9.1
59.04996	2.8
61.02924	7.6
65.03927	1.1
66.02780	0.5
67.05499	54.1
69.03436	3.2
69.07054	3.5
71.04985	3.7
73.02911	2.2
79.05487	9.1
81.03413	28.5
81.06569	0.8
81.07050	16.0
83.04985	6.7
83.08615	14.4
83.09101	1.0
84.08154	0.9
85.02900	17.5
85.06543	1.7
86.09715	1.2
91.03948	4.8
91.05473	16.3
93.07042	8.4
95.04963	11.6
95.08595	6.6
97.02889	5.2
97.06527	1.7
97.10165	0.9
99.04449	0.8
99.08107	0.6
102.59637	0.5
105.04496	0.7
105.07027	8.7
107.04967	3.0
107.08584	4.3
109.06526	2.1
109.10149	46.8
110.10509	0.7
111.04433	1.4
111.08065	7.2
113.05991	1.7
115.05496	0.6
117.07029	0.9
119.05035	0.5
119.08569	13.3
121.06473	0.5
121.10141	4.9
123.08088	1.3
123.11707	0.8
124.99940	0.8
125.09666	0.7
127.03903	2.4
129.06993	4.4
131.08560	5.7
133.06543	1.1
133.10115	4.9
137.09604	2.9
142.07806	1.2
145.04945	2.4
145.10088	0.7
147.08066	1.5
147.11656	7.0
149.09613	2.2
151.11148	0.7
153.01875	1.3
155.10710	2.2
157.10117	6.5
163.05978	1.3
165.12767	1.3
171.92847	0.6
173.11726	13.5
175.11172	6.7
184.07361	1.7
193.12219	19.7
202.53094	0.5
211.13269	25.5
212.13519	0.6
229.14331	43.5
230.14677	1.5
249.14946	0.7
267.15875	11.3
285.16946	21.9
325.80908	0.5
363.05478	0.5
373.18521	0.6
399.90646	0.5
403.24829	0.8
421.25793	16.1
422.26135	1.0
432.23407	0.6
439.26877	100.0
440.27267	4.8
565.29889	0.8
583.30890	2.7
678.77411	0.6
687.21460	0.7
798.41852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01910	0.3
63.16488	0.3
66.45670	0.3
68.14882	0.3
70.49457	0.4
71.42934	0.4
72.39912	0.3
82.50104	0.3
101.01942	0.3
103.78392	0.3
130.42725	0.3
153.01831	0.9
170.50822	0.3
175.03654	13.2
176.04362	0.4
188.04425	3.1
189.05341	0.8
202.06070	1.4
203.03313	0.5
205.04749	1.1
218.40579	0.4
219.06314	3.0
277.03537	0.5
316.69620	0.4
363.08386	0.4
375.08582	0.9
378.10941	1.2
385.12570	8.0
385.17245	0.7
390.10825	0.5
393.09344	2.0
394.39560	0.4
397.12601	0.8
399.14072	9.8
408.11920	1.4
415.13837	0.6
605.20245	0.4
768.50183	0.4
771.26068	1.3
801.27179	100.0
802.27545	8.4
802.42194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	2.2
57.07079	1.1
59.04990	1.8
59.92601	0.7
65.03929	0.8
67.05494	12.7
69.03416	2.1
69.06712	0.8
69.07063	11.3
70.56154	1.2
71.04987	7.9
79.05475	4.3
81.07053	11.1
83.04967	1.2
83.08599	1.8
85.02892	7.4
91.05475	4.6
93.07034	10.7
95.04951	2.2
95.08596	17.1
97.02893	1.0
97.06531	2.0
105.07024	4.9
107.04922	1.4
107.08582	9.3
109.06500	1.0
109.10148	62.8
111.04441	1.0
111.08058	3.4
111.11697	1.0
117.06979	0.7
119.08576	8.1
121.06507	3.8
121.10088	4.0
123.11684	1.7
125.09686	0.9
127.11193	11.1
129.05505	1.2
129.06860	0.9
131.08542	3.3
133.06526	0.8
133.10118	4.8
135.08035	2.5
135.11670	10.6
137.05914	1.5
137.13223	2.6
138.76099	0.8
139.07523	3.3
143.08534	3.3
145.10098	5.4
147.08031	2.3
147.11662	1.6
149.09619	2.5
149.13249	2.1
150.67279	0.7
153.01846	3.1
153.12729	10.6
155.08566	2.1
157.10130	4.1
159.08040	2.0
159.11653	2.6
161.09604	4.1
163.11110	4.3
165.38029	0.8
166.98495	0.7
167.08411	0.9
167.14253	1.5
169.10126	1.5
170.11023	0.9
171.08009	1.6
171.11656	2.7
171.13789	15.1
173.09610	7.9
173.13254	1.1
175.11214	2.3
181.10106	1.9
183.11681	4.7
185.09598	1.6
185.13268	2.6
187.11169	4.0
189.09081	1.2
189.12740	2.8
191.10666	2.7
195.11668	3.1
197.13255	1.8
199.11186	3.1
199.14877	2.1
201.12712	12.6
207.11577	1.2
209.13228	1.8
211.14790	2.4
213.12796	3.0
213.16391	2.4
215.14304	0.8
221.13181	1.1
223.14833	5.0
225.12717	1.9
227.14308	2.5
229.15845	1.5
231.13722	0.9
237.16467	1.6
239.14247	2.2
239.17856	1.3
241.15851	9.8
243.13878	1.0
245.15385	2.2
251.17923	2.3
253.15836	1.3
255.17476	2.4
257.18967	0.8
259.16940	6.5
265.15912	1.5
267.17407	2.1
269.18936	10.2
283.16934	2.5
285.12332	0.9
285.18427	2.0
287.20007	30.1
301.17883	1.3
325.21725	1.1
329.21243	1.0
337.25204	1.0
339.23178	1.0
355.26147	1.2
359.23572	0.8
377.28342	1.8
395.29456	7.9
406.17606	1.8
413.30457	100.0
414.30829	3.8
421.31134	1.0
439.32010	15.1
449.25308	1.5
452.18076	1.1
457.33194	6.9
493.34818	1.4
575.35724	25.1
576.36493	1.2
601.36993	4.0
619.38177	2.5
801.28839	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	802.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20192	0.7
69.03394	1.5
70.33968	1.4
75.65170	0.5
79.93125	0.5
81.03377	2.5
85.02853	1.7
97.02883	0.6
99.04404	0.9
102.48352	0.5
103.05427	1.5
107.04906	0.7
109.02837	1.4
113.98963	0.6
114.14849	0.6
115.05403	1.7
127.03912	1.3
129.03339	0.7
131.04903	1.3
143.04877	0.7
144.05417	0.5
147.04404	1.1
153.01791	1.7
155.04941	0.7
157.02837	1.2
157.06503	0.7
159.04379	2.0
161.05995	0.7
171.04327	3.4
173.02267	1.2
175.03851	2.5
177.05367	1.1
181.06462	1.0
183.04308	1.5
185.02287	1.6
185.05927	1.1
187.03879	7.8
189.05411	1.0
191.03377	1.8
199.03899	5.9
201.01787	3.8
203.03337	4.9
205.04936	1.5
209.02344	0.8
209.05858	1.3
211.03844	1.5
213.01884	4.0
213.05359	2.9
215.03336	11.7
217.04897	2.0
219.02914	0.7
223.03844	1.1
225.05396	0.7
227.03365	6.6
229.01315	5.0
229.04840	1.3
231.02844	23.2
231.17079	0.6
232.03156	1.0
233.04405	0.8
237.05382	1.2
239.03328	1.1
241.01198	4.0
241.04897	3.5
243.02875	7.0
244.03461	0.7
245.04384	2.0
247.02303	8.2
251.03368	1.3
253.04953	0.9
255.02873	6.4
257.00748	4.3
257.04184	1.1
259.02344	37.9
260.02771	1.5
261.03934	3.2
265.04947	1.6
267.02908	0.9
269.04416	5.0
271.02386	8.5
273.03867	10.4
275.01852	6.2
276.02625	1.9
277.03387	85.9
278.03708	2.4
279.02600	0.7
281.04413	1.1
283.02402	6.1
285.00238	2.5
285.03638	1.3
287.01758	1.2
287.05365	1.3
289.03354	14.6
290.03790	0.6
297.03906	6.3
299.01822	19.9
300.02036	0.7
301.03369	20.2
302.03754	0.9
303.01306	54.1
303.04465	2.0
304.01489	1.6
305.02805	4.2
309.04074	0.9
311.05240	0.8
313.03302	3.9
315.01260	5.9
315.04974	5.2
316.01721	0.9
317.02765	5.5
319.04437	1.1
321.02292	2.8
323.01837	0.9
325.03360	1.3
327.01324	7.9
328.99243	1.0
329.02783	1.5
329.06354	0.7
331.00787	1.5
337.03021	0.8
339.01407	1.0
339.04990	2.3
341.02960	1.6
343.04398	9.0
345.02359	100.0
346.02719	2.9
355.04456	3.2
357.05722	0.9
361.02005	1.1
367.04379	3.3
369.02396	2.0
383.03912	0.6
385.05505	5.1
387.03369	1.4
393.02325	0.7
411.03394	1.6
447.05441	7.7
453.00766	0.8
465.06839	2.9
644.39496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
61.50282	0.2
69.03426	2.1
69.53220	0.2
69.64918	0.6
69.80206	0.2
71.01337	0.5
71.04977	0.5
71.24390	0.2
73.02900	0.3
77.59818	0.2
81.03409	2.0
85.02903	1.5
91.04846	0.2
91.05474	0.3
91.45941	0.2
97.02888	0.8
99.04434	0.7
101.02348	0.3
101.52789	0.2
103.05447	0.9
109.02855	1.7
119.04879	0.4
127.03902	1.9
127.22169	0.2
129.03326	0.5
131.04909	0.7
134.18266	0.2
138.42062	0.2
145.05000	0.3
147.04349	1.1
153.01814	2.0
157.02876	1.2
159.04407	0.3
163.03854	0.3
173.02354	0.3
175.03876	1.8
185.02281	1.4
187.03871	4.2
191.03381	0.5
201.01794	1.3
202.19217	0.2
203.03348	3.1
213.01802	3.5
215.03360	4.1
219.02924	0.2
229.01338	1.6
230.01939	0.3
231.02859	18.0
232.03210	0.7
241.01302	3.3
247.02354	2.2
257.00742	1.7
259.02362	30.9
260.02747	0.6
275.01849	3.1
276.02542	1.4
277.03400	100.0
278.03760	3.3
285.00287	1.6
289.03329	1.0
297.03577	0.3
299.01883	0.2
303.01318	37.9
304.01520	1.3
313.03513	0.4
315.01447	1.2
321.02301	2.1
323.01764	0.3
328.99271	0.5
341.02768	0.3
345.02280	0.8
351.01215	0.3
355.04303	0.3
367.04150	0.4
379.00711	0.7
385.05463	0.6
387.03494	1.3
401.04675	0.4
407.00238	0.8
411.03711	0.3
429.04425	0.6
439.33954	0.3
447.05502	1.0
453.00824	1.4
465.06601	2.3
532.97064	0.3
572.00409	0.3
742.89209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.4
69.03117	0.2
69.03424	2.7
69.35281	1.1
71.01327	0.4
71.04966	0.6
72.53586	0.2
73.02894	0.4
73.43142	0.2
81.03409	3.2
85.02898	1.7
91.05468	0.5
93.09312	0.2
97.02869	0.7
98.57334	0.2
99.04460	1.0
101.02365	0.3
103.05444	1.0
109.02878	2.4
119.04935	0.3
127.03899	2.2
129.03339	0.3
131.04921	0.8
145.04947	0.6
147.04381	1.0
157.02797	1.3
159.04384	0.4
163.03874	0.2
173.02286	0.8
175.03900	1.7
176.62486	0.2
185.02315	1.4
187.03885	4.4
191.03389	0.7
201.01822	1.4
202.02548	0.3
203.03368	3.7
205.04889	0.3
213.01802	4.0
215.03369	4.5
219.02835	0.4
229.01353	1.7
230.02010	0.3
231.02861	20.2
232.03253	0.7
241.01270	3.2
247.02344	2.4
257.00766	2.5
259.02359	32.7
260.02725	1.1
273.03857	0.2
275.01849	3.9
276.02539	1.5
277.03397	100.0
278.03702	2.7
285.00302	1.3
289.03415	0.7
297.04010	0.3
303.01318	36.1
304.01654	1.3
313.03424	0.4
315.01422	0.7
321.02310	1.9
328.99176	0.4
335.16187	0.2
339.05078	0.2
343.04330	0.3
345.02109	0.4
359.03778	0.3
363.03394	0.5
385.05524	0.5
387.03357	1.1
411.03726	0.5
427.96274	0.3
429.04443	0.6
447.05527	0.9
465.06674	2.0
483.08011	0.5
533.86841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.5
66.41159	0.2
69.03426	2.5
70.37246	0.3
70.37551	0.5
71.01305	0.5
81.03403	2.8
85.02905	1.7
91.05450	0.7
97.02850	1.0
99.04396	1.0
101.03833	0.3
103.05428	0.7
109.02879	1.8
112.73415	0.3
119.04855	0.5
122.13770	0.3
127.03903	2.7
129.03340	0.5
131.04869	0.6
145.02783	0.3
145.04919	0.4
147.04349	1.1
153.01767	1.2
157.02766	1.0
159.04327	0.8
163.03841	1.0
173.02347	0.8
175.03946	1.5
176.95569	0.3
181.41820	0.3
185.02252	1.7
187.03873	4.4
191.03397	0.6
201.01804	1.7
203.03372	3.6
213.01823	3.8
215.03380	4.9
219.02936	0.5
227.03354	0.4
229.01321	2.0
231.02852	20.8
232.03181	0.6
241.01274	4.1
243.02951	0.7
245.04510	0.4
247.02420	2.2
257.00745	2.2
259.02356	31.5
260.02731	1.1
261.03973	0.4
271.02420	0.4
273.03885	0.5
275.01822	3.6
276.02527	1.1
277.03394	100.0
278.03717	3.1
285.00232	2.0
285.02991	0.3
287.01645	0.3
289.03354	0.9
297.03546	0.3
299.01846	1.4
301.03476	1.1
303.01315	39.1
304.01666	1.4
311.05612	0.4
313.03384	0.6
315.01215	1.3
315.04697	0.6
317.02698	0.4
321.02414	3.2
328.99222	0.4
339.04987	0.5
341.02792	0.5
343.04285	0.3
345.02383	5.1
355.04538	0.6
357.06076	0.3
363.03448	0.9
367.04340	0.4
369.01935	0.3
379.01266	0.3
383.03928	0.3
385.05518	0.9
387.03482	1.5
411.03644	0.6
429.04480	0.9
447.05582	1.3
465.06662	2.4
667.54993	0.3
785.07660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	16.8
57.07064	2.1
59.05011	2.2
60.05653	1.6
61.02922	1.5
65.03927	5.0
65.57886	1.2
67.05499	100.0
68.05818	1.3
68.66275	1.0
68.66656	1.2
69.03423	4.1
69.07059	16.3
71.04979	6.1
73.02921	1.9
73.06561	2.8
75.89826	1.1
77.03925	3.4
79.05487	87.8
80.05808	1.3
81.03411	20.8
81.07049	59.5
83.04975	16.5
83.08611	13.5
85.02914	7.2
85.06541	4.7
87.04465	2.3
89.71199	1.5
91.05473	71.9
93.07036	73.9
94.07368	1.2
95.04955	32.2
95.08606	29.1
96.96160	1.1
97.02888	4.3
97.06535	8.9
97.10159	10.3
99.04467	1.3
99.08105	2.2
102.64636	1.3
103.05444	1.6
104.46880	1.1
105.04517	5.1
105.07020	46.2
106.96578	1.1
107.04955	13.7
107.08585	25.6
107.09261	2.3
109.06512	8.2
109.10148	49.2
109.10889	2.6
111.04456	2.4
111.08070	5.5
112.88894	1.2
115.05428	2.2
117.07000	13.2
119.08572	33.1
121.06519	5.6
121.10146	7.4
123.08073	8.2
124.07609	1.7
125.09599	6.2
127.03832	1.5
127.07535	1.5
128.06215	5.0
129.05499	2.0
129.06992	20.8
131.08559	7.4
133.10118	13.9
135.08043	3.2
135.11694	7.2
137.09601	4.7
141.07005	1.7
143.08542	11.1
145.10115	15.4
147.08040	3.8
147.11668	37.7
148.12050	1.6
149.09625	1.7
151.11205	1.6
153.12718	3.0
155.10652	2.8
157.10074	2.2
159.11726	2.8
161.09641	6.3
161.13229	12.9
163.11133	8.0
171.10190	1.9
171.11661	27.8
171.13043	2.3
173.04449	1.4
173.09631	2.9
173.11696	12.4
173.13048	1.4
177.12773	2.2
181.12288	2.6
184.07335	5.2
189.12723	11.5
191.10687	4.8
193.12187	3.5
199.13348	3.8
207.13779	32.8
209.11618	5.6
225.14857	3.5
227.12740	9.3
229.14328	37.0
253.14320	1.8
259.02734	1.3
265.14304	2.9
267.15933	5.4
273.18433	1.4
275.19894	3.1
277.03409	3.3
281.17456	72.0
282.17773	1.7
283.15353	7.4
289.17831	1.5
297.08615	1.3
301.16470	6.7
333.24106	1.3
349.23737	2.0
399.23819	10.5
405.26389	2.9
423.27493	2.9
435.27380	78.8
436.27631	4.9
461.28397	1.9
467.51770	1.4
471.27185	2.4
473.28824	5.2
489.28384	4.5
507.29471	12.3
525.30505	3.9
541.35217	3.8
605.36761	36.3
606.36945	3.1
677.51459	1.4
802.43799	2.4
803.44318	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36406	1.3
57.03436	8.0
59.04991	1.5
65.03941	1.9
67.05154	2.7
67.05499	40.1
69.03429	9.4
69.07063	12.3
74.87528	1.4
79.05484	39.5
81.03410	67.6
81.07047	32.0
83.04968	10.4
83.08613	39.5
85.02894	2.0
91.05471	56.1
93.07040	22.3
95.04955	24.4
95.08611	8.0
97.02837	2.2
97.06546	2.1
97.10159	56.5
103.05429	2.1
105.04501	1.9
105.07016	15.9
105.58698	1.3
107.04942	10.8
107.07940	2.1
107.08590	31.0
109.06467	7.4
109.10137	9.8
111.04424	2.4
111.08083	7.9
115.05425	7.2
116.06187	1.7
117.07008	28.8
119.08570	63.7
119.09428	3.3
121.06474	7.2
121.10142	6.0
123.04452	2.1
123.08064	5.3
125.09621	55.9
128.06168	3.1
129.06952	8.2
131.08542	14.8
133.06482	3.1
133.10115	6.1
135.08031	14.4
142.07758	3.3
143.08521	8.0
143.10680	2.7
145.06464	26.9
145.10114	7.1
147.08034	9.1
147.11646	5.8
149.09618	4.8
153.09058	9.6
155.08519	3.9
157.10095	12.9
159.08061	11.7
161.09637	2.5
161.69180	1.6
163.07547	3.3
165.12633	1.8
169.10141	3.1
171.08061	1.9
171.10161	3.9
171.11612	2.1
173.09605	3.7
175.11174	5.5
183.11708	1.8
187.11168	2.7
189.11191	32.5
189.12794	2.3
193.12218	41.8
205.12294	2.1
225.16466	2.5
227.12749	82.0
228.13065	1.9
261.18719	2.2
267.15894	44.1
271.16876	44.0
277.03183	3.8
289.17963	22.7
311.19952	2.9
327.19537	2.7
345.20624	11.3
363.21631	24.9
365.23276	2.2
419.24203	23.4
437.25311	25.7
445.27423	2.2
463.28415	2.9
465.84369	1.5
537.32001	36.5
538.32306	3.0
555.33112	100.0
556.33423	8.1
582.11133	1.6
800.02716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12131	1.5
57.03432	10.7
59.80186	2.0
61.02909	2.4
63.42282	1.7
65.03928	3.2
67.05498	75.2
69.03416	5.3
69.07066	22.0
69.56681	3.4
69.57063	2.8
71.04977	6.2
79.05488	80.5
81.03417	14.9
81.07050	63.5
83.04979	19.2
83.08604	14.9
85.02901	5.2
85.06550	3.2
86.09695	2.5
91.05473	59.7
92.05798	1.9
93.06444	3.2
93.07037	67.3
94.07331	2.9
95.04954	27.3
95.08598	33.8
97.02874	4.3
97.06519	15.1
97.10134	7.8
105.04486	4.8
105.06356	2.9
105.07026	46.3
105.68560	1.6
106.07405	1.7
107.04948	11.3
107.08584	33.2
109.02894	2.0
109.06531	11.7
109.10150	17.0
111.04409	2.7
111.08062	6.4
115.05387	3.2
116.07122	1.7
117.07009	17.4
119.08582	28.3
121.06470	4.6
121.10134	13.9
123.08061	7.9
123.11689	2.6
125.09618	4.4
127.03904	2.5
127.07549	2.8
128.06241	3.0
129.06995	16.5
131.08563	13.8
133.06471	2.0
133.10104	18.7
135.08054	4.1
135.11687	8.5
137.09587	3.7
143.08560	8.4
145.10130	14.4
147.08018	3.8
147.11671	30.3
149.09598	7.7
149.13206	7.1
151.11107	3.1
153.09093	1.8
155.08519	2.7
157.10107	4.0
159.11659	8.0
161.09619	5.5
161.13231	10.0
163.11206	5.8
165.12854	1.6
169.10062	2.5
171.11684	15.3
173.09636	2.3
173.11757	2.7
173.13181	2.3
181.10123	2.0
184.07260	3.5
189.11186	2.1
189.12724	6.4
193.12221	2.1
197.13092	1.6
207.13785	16.9
211.13171	1.9
215.12553	1.7
227.12796	4.7
229.14336	9.3
229.19492	2.0
239.17952	1.8
253.14221	3.0
257.19040	5.5
259.02435	2.7
267.15878	4.4
269.17520	3.8
273.18393	2.6
275.20013	19.1
276.20230	1.8
277.03433	6.1
281.14386	1.6
281.17438	42.9
282.17639	2.5
283.15231	3.9
285.16934	2.4
289.17853	2.7
291.19519	2.3
293.21106	2.2
347.22067	2.4
349.23715	11.4
413.21545	4.6
435.27365	32.6
436.27939	3.0
475.30530	100.0
476.30707	7.6
537.35565	2.4
555.37061	29.7
565.10162	2.1
571.36316	2.8
587.38916	6.4
605.35901	2.5
607.43823	2.2
619.34344	13.7
753.24237	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.289
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04720	0.8
93.07031	0.7
98.23231	4.4
99.36401	0.7
120.66296	0.7
136.58337	0.7
153.01816	0.7
175.03647	13.9
176.04099	0.8
188.04442	4.2
202.06050	1.4
219.06168	3.7
277.03555	0.9
303.01544	1.0
385.12503	12.6
386.12820	0.9
395.11172	2.1
397.12527	1.3
399.14130	14.0
400.14386	1.4
409.12582	1.4
410.13376	4.0
423.14096	1.1
625.44165	0.7
803.28571	100.0
804.29053	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	803.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16740	1.0
69.14554	6.8
137.05991	1.1
153.01855	4.0
175.03665	20.2
176.04112	1.3
178.16063	1.0
188.04509	2.3
204.06583	1.2
221.05896	1.4
243.11382	2.5
277.03558	1.1
285.12421	2.7
385.12643	5.1
395.11212	1.3
399.14035	6.8
410.13785	1.9
425.15659	3.4
785.30060	1.3
803.28510	100.0
804.28290	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	803.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25043	0.4
62.40054	0.4
62.43726	0.4
64.73000	0.4
98.23206	2.7
124.91202	0.4
126.71688	0.4
137.36292	0.3
175.03651	13.6
188.04437	2.6
189.05235	0.6
201.05092	0.6
202.06136	1.5
205.04735	2.0
219.06259	3.5
361.10696	1.2
365.10056	1.6
377.10077	1.3
378.10339	0.4
379.11664	0.5
380.12366	1.4
385.12579	7.9
385.17139	0.6
392.12073	1.8
395.10928	3.0
397.12982	0.7
399.14117	11.2
400.14816	0.5
410.13150	2.5
423.14035	2.6
541.45099	0.4
773.27557	0.7
778.60175	0.5
803.28717	100.0
804.28925	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	803.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58441	1.4
97.83020	1.3
98.22718	4.0
98.23444	5.0
118.64995	1.5
151.03894	1.5
175.03647	33.5
205.04692	28.4
205.06462	1.8
218.05618	2.4
277.03842	1.7
325.71866	1.5
393.13269	4.6
405.13150	2.0
415.13983	1.9
423.14029	8.5
429.15106	2.7
591.18286	1.9
606.20862	5.6
607.20764	2.5
717.20074	1.7
763.59631	1.9
803.28717	100.0
804.29388	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	803.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87951	1.1
69.10896	7.7
71.72001	1.2
98.22822	4.3
98.23494	2.2
102.28590	1.2
133.97522	1.1
153.01819	1.8
175.03648	58.8
179.23901	1.1
189.05258	2.5
201.05092	1.1
243.06369	1.5
277.03537	1.7
365.58093	1.2
413.47986	1.2
423.14133	16.8
424.14673	1.7
437.15631	2.6
591.17981	2.8
606.21002	4.4
607.20917	1.8
719.94574	1.4
803.28699	100.0
804.29028	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	803.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97421	0.7
57.03430	1.2
57.61494	0.7
61.02929	1.3
62.65670	0.6
65.03927	0.8
67.05517	3.1
67.31818	0.6
69.03428	3.7
71.04980	0.8
77.27398	0.6
78.46211	0.7
78.61747	0.6
79.05496	2.7
81.03419	2.5
81.07050	2.3
83.04971	0.8
83.08617	1.3
85.02895	4.2
91.05479	4.4
93.05802	1.3
93.07037	3.7
94.06561	5.5
95.04966	2.3
95.07356	1.9
95.08639	0.8
96.08131	4.6
97.02890	2.8
97.06531	0.7
97.10138	0.8
105.07043	2.3
107.04976	1.3
107.07349	1.0
107.08613	1.6
108.08105	6.3
109.10092	0.8
110.09678	7.6
118.06556	0.8
119.08614	1.2
120.08099	6.6
121.10165	0.9
122.06013	8.2
122.06721	0.8
122.09657	1.1
127.74723	0.6
136.07567	9.1
138.05542	0.6
138.09126	10.2
145.10086	0.8
146.06015	1.0
148.07591	3.0
150.09134	1.1
163.11137	1.3
166.08617	13.2
172.07594	1.0
184.07515	0.6
193.12172	0.7
211.08730	2.1
211.13246	1.1
212.09404	0.8
219.09282	0.7
221.10780	2.9
235.08728	1.8
237.10168	1.4
247.08730	2.6
248.09427	2.0
249.10219	14.9
250.10797	1.3
251.11798	1.4
253.09821	0.7
261.10242	2.2
262.11130	1.1
263.11923	2.2
265.09738	0.9
277.09647	8.7
278.10522	0.9
279.11386	0.8
283.15533	2.3
285.17093	1.0
291.11359	1.5
295.10654	0.9
299.14865	1.5
309.12332	6.8
310.13223	0.9
312.11435	0.9
314.12784	0.9
321.08810	1.7
322.13556	1.7
323.11108	0.7
323.14471	1.5
325.12753	1.4
326.13199	2.1
327.13812	2.0
328.14703	1.1
336.15085	1.2
337.12451	1.1
338.12857	1.3
338.16669	2.1
339.14435	2.0
340.10828	2.7
340.14685	3.2
341.11639	1.6
341.15335	1.9
342.12170	2.2
342.16119	1.8
343.13138	1.3
344.14169	1.1
349.12122	1.0
350.12866	1.6
351.14154	0.9
352.10974	1.0
352.14890	1.5
353.12021	2.3
354.12433	5.8
354.16119	1.6
355.12952	3.1
356.13843	5.7
356.17557	0.8
357.14609	1.0
364.14471	6.2
365.15167	2.4
366.12344	1.5
366.16235	4.1
367.13077	4.6
368.10089	1.5
368.13989	10.6
369.14716	6.2
370.15704	3.4
371.16467	0.9
379.13248	0.9
380.14127	2.2
381.22601	1.1
382.11118	5.6
382.16028	6.1
383.12292	1.7
383.16733	3.5
384.13052	1.1
384.17218	8.5
385.13721	1.1
385.18082	0.9
386.15100	1.5
392.14078	3.8
393.14337	1.0
394.15884	1.3
395.12622	1.6
396.13211	7.8
397.14127	3.7
398.14011	0.7
398.18759	10.9
400.16702	1.4
401.17490	1.0
408.13098	1.1
410.14938	7.0
411.15805	1.3
412.16562	9.2
413.13248	1.5
414.14514	2.5
415.15277	2.2
416.15744	0.8
420.13419	2.1
426.13718	4.1
428.16006	5.7
428.38391	0.7
429.16934	1.9
430.17917	0.9
438.14493	28.2
439.15021	1.7
442.17667	3.1
444.19824	7.4
452.15988	1.1
456.15515	40.5
457.15997	1.8
458.17056	7.3
470.17169	3.1
473.76089	0.8
476.18140	34.9
477.18607	2.0
488.18127	18.7
489.18890	1.2
507.25760	1.0
535.23578	0.8
563.22992	1.8
584.11450	0.9
591.22314	6.5
595.25537	2.7
609.23383	23.3
610.23700	1.5
613.26508	0.9
623.24988	19.9
623.33563	0.7
641.25995	100.0
642.26410	7.0
745.70917	0.8
771.26990	0.9
803.30817	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	803.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
61.02925	2.1
67.05504	0.7
69.03427	4.6
69.10751	3.6
70.28796	0.5
73.02908	1.4
73.56094	0.5
74.49146	0.5
81.03415	1.5
85.02903	6.5
87.04443	0.9
91.03935	0.7
91.05495	1.1
93.05801	0.9
94.06563	2.0
95.48025	0.5
97.02895	3.0
99.04440	0.9
101.02412	0.6
101.21011	0.6
105.07040	0.6
107.07327	0.6
108.08112	9.2
109.02863	0.6
110.90564	0.5
120.08128	0.9
122.06050	2.2
127.03920	1.2
132.08012	0.7
136.07562	12.5
148.07550	1.1
152.07112	0.6
160.71985	0.4
161.79091	0.6
164.07079	2.2
166.08566	0.6
167.70367	0.6
174.09131	1.0
204.06519	0.7
204.10222	0.8
209.10733	0.6
223.08730	0.8
223.12201	0.5
227.07976	0.5
235.08727	1.1
235.12303	0.9
236.09377	0.5
237.10316	1.6
237.13913	0.6
247.08861	0.8
248.09406	0.9
249.10178	4.5
250.10997	2.0
251.08139	0.7
251.09238	0.5
251.11797	5.1
252.12427	0.6
261.10306	1.5
262.11020	2.6
263.08145	0.7
263.11755	5.5
264.08929	1.0
264.12482	0.9
265.09766	3.5
265.13501	1.2
266.10562	0.6
267.11560	1.0
275.11758	0.7
277.09830	5.2
277.12872	0.9
278.10504	1.7
279.11212	6.0
280.12085	1.2
281.12894	2.0
283.10764	1.2
289.09894	0.8
290.10474	0.8
291.11270	10.3
292.11972	2.0
293.09717	0.8
293.12830	5.1
295.10886	1.8
296.11826	0.6
298.13528	0.8
303.11307	0.6
305.09323	0.8
305.12717	1.0
306.09702	0.6
307.10806	1.9
309.12320	1.3
310.12576	0.7
310.74924	0.5
311.14801	0.9
312.14993	0.8
317.09442	0.5
319.10788	2.2
324.11191	2.1
324.15012	0.8
325.11859	3.3
326.12927	2.1
326.16504	1.1
328.14447	1.2
335.10199	1.2
336.11203	0.6
337.11749	4.6
338.12753	1.8
338.16641	0.6
339.13788	2.0
340.14407	5.6
341.15317	1.5
342.16196	2.1
344.17392	0.7
351.13687	0.8
352.14651	2.6
353.11545	1.6
353.15366	1.4
354.08780	0.6
354.12485	2.4
354.16113	2.2
355.13110	2.2
355.16977	0.9
356.13995	1.9
356.17807	1.3
366.12350	1.8
366.16412	1.1
367.09268	0.6
367.12964	2.9
368.13779	7.2
368.17419	1.0
369.14758	2.4
370.15295	3.8
371.16217	0.7
372.17047	0.7
373.98996	0.6
380.13919	2.8
381.14890	2.6
382.11664	0.9
382.15619	6.3
383.16794	2.7
384.13062	0.6
384.17133	3.8
385.17822	1.3
386.18842	3.1
394.16022	0.8
396.12524	3.3
396.18121	2.9
397.14166	0.8
398.14130	2.5
398.18719	2.0
400.16476	3.3
405.13593	0.6
408.13309	1.3
409.14377	1.5
410.14926	3.9
411.15720	1.6
412.16510	4.2
413.17438	2.6
414.13660	0.9
414.18219	2.3
416.19879	3.2
424.16690	1.9
425.17416	0.7
426.18683	2.7
428.16037	5.7
429.16589	1.0
438.15167	0.6
440.16165	0.8
442.13547	2.5
442.17908	3.4
443.18411	2.1
444.19366	5.1
446.16937	2.8
452.16064	1.1
456.15625	1.4
459.17938	1.2
460.18665	4.5
468.15540	1.1
469.15948	0.6
470.16962	8.9
471.17953	1.3
472.18863	1.6
486.16605	1.0
487.17410	5.8
488.18106	32.8
489.18683	1.9
565.24329	0.6
590.21954	0.7
604.22852	1.0
605.23425	0.8
609.23462	7.2
631.21716	1.6
632.22266	6.5
648.21332	0.8
649.22595	16.5
650.23364	100.0
651.23669	8.5
654.21844	0.6
680.24292	0.8
681.24799	0.7
727.29626	0.7
753.27643	1.2
771.28546	4.5
803.36737	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	804.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93923	0.1
69.03413	0.9
69.36467	0.6
76.01839	0.1
79.01843	6.1
81.03410	2.6
91.05482	0.2
97.02880	1.8
99.04444	0.4
103.05445	0.4
106.65472	0.1
107.01302	1.2
109.02857	3.2
119.04986	0.2
123.00791	0.1
125.02331	3.2
127.03887	2.0
131.04900	0.4
143.03380	7.2
147.04420	0.3
153.01805	100.0
153.02863	5.4
154.02119	1.5
154.85117	0.2
157.02795	0.3
159.04385	0.3
163.03796	0.2
171.02861	1.6
175.03905	0.9
181.01302	0.2
185.02330	0.6
187.03876	2.2
191.03392	0.2
195.02713	0.1
197.00908	0.2
201.01826	0.4
203.03368	1.7
205.04944	0.4
213.01822	1.7
213.03720	0.3
215.03362	2.1
229.01271	0.6
231.02852	8.7
232.03203	0.2
233.04382	0.6
241.01268	1.3
243.03114	0.2
247.02422	0.7
257.00726	0.7
259.02350	14.6
260.02725	0.4
261.03958	0.8
275.01831	1.0
276.02563	0.4
277.03387	43.9
278.03760	1.3
279.04944	0.9
285.00262	0.5
289.03394	0.4
297.03043	0.2
297.06055	3.1
303.01318	7.6
304.01535	0.3
315.01245	0.3
315.07056	0.6
321.02182	0.7
322.88754	0.2
385.05518	0.3
387.03439	0.5
411.03314	0.3
429.04736	0.2
447.05545	0.3
449.07025	0.4
455.75284	0.2
467.08185	1.9
481.63361	0.2
539.04535	0.2
556.91193	0.2
617.07599	0.5
769.09131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85796	0.2
64.98311	0.2
69.03429	1.4
69.93176	0.4
69.93530	0.4
78.02595	0.2
79.01382	0.3
79.01844	5.9
81.03400	2.2
91.05517	0.3
94.18212	0.2
97.02895	1.8
99.04441	0.4
103.05446	0.3
107.01305	1.2
109.02883	2.3
119.04967	0.2
120.73920	0.2
123.00812	0.3
125.02334	3.3
127.03916	2.4
131.04918	0.6
131.33426	0.2
143.03386	7.3
147.04384	0.6
153.01816	100.0
153.02896	5.9
154.02161	1.6
157.02829	0.7
159.04350	0.4
163.03865	0.5
171.02896	1.3
173.02338	0.3
175.03896	1.0
179.03439	0.5
181.01382	0.2
185.02359	0.8
187.03876	3.0
189.05437	0.3
191.03348	1.4
199.05826	0.2
201.01791	0.4
203.03427	1.5
205.05060	0.5
207.02832	0.3
213.01826	2.0
215.03363	2.3
217.04829	0.2
219.02817	0.4
229.01346	0.6
231.02861	11.9
232.03226	0.4
233.04431	1.4
237.03934	1.8
241.01270	1.7
242.52173	0.2
247.02411	0.9
257.00739	0.6
259.02362	19.2
260.02728	0.7
261.03845	1.6
275.01770	1.0
276.02512	0.6
277.03403	71.6
278.03726	1.8
279.05063	1.5
285.00223	0.8
297.06055	2.7
303.01309	11.8
304.01645	0.3
315.06946	0.6
321.02505	1.3
324.12027	0.2
363.03436	0.3
385.05734	0.4
387.03195	0.3
429.04504	0.3
447.05457	0.3
449.07043	0.6
467.08267	1.3
594.85767	0.3
617.07147	0.9
769.08148	0.8
787.09113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	19.1
57.07060	1.8
59.05000	6.4
61.02925	4.9
65.03929	2.7
67.05499	73.1
68.05880	0.7
69.03424	5.2
69.07059	13.6
69.51196	3.5
71.01353	2.5
71.04991	7.2
73.02895	2.4
79.05489	36.9
81.03413	19.1
81.07050	38.3
83.01329	7.7
83.04976	18.2
83.08613	18.3
85.02902	16.6
85.06523	2.6
87.04461	5.1
91.03948	1.6
91.05474	25.9
93.07038	32.6
95.04961	14.5
95.08602	15.4
95.09201	0.8
97.02895	7.8
97.06528	9.8
97.10161	11.7
99.02569	0.7
99.04439	4.5
99.08106	1.7
101.05903	0.7
102.20154	0.6
103.03922	0.8
103.05428	1.2
104.37261	0.7
105.04523	1.1
105.07017	16.3
107.04248	1.0
107.04948	13.5
107.08587	21.2
109.02865	1.0
109.06506	9.2
109.10145	46.7
111.04425	5.3
111.08071	4.0
115.05440	1.2
116.04681	1.6
117.07008	10.4
118.85208	0.8
119.08570	15.9
121.06514	3.7
121.10131	10.7
123.04433	0.8
123.08057	9.3
125.05960	1.7
125.09619	15.0
127.03893	1.0
129.05492	4.5
129.06963	3.5
130.07780	2.0
131.08539	7.3
133.06461	0.8
133.10110	6.1
135.08031	3.6
135.11681	13.7
137.09595	4.8
139.07570	1.0
143.08588	1.0
143.10655	3.1
145.10112	18.3
146.10393	1.0
147.08055	2.4
147.11687	3.5
149.09607	3.1
150.58873	0.8
151.11082	1.3
153.12720	6.4
155.08546	2.0
155.10599	3.4
157.08743	1.3
157.10008	1.3
161.09563	1.4
163.11171	30.3
164.11592	1.3
165.09096	0.9
171.11688	1.3
173.09583	4.3
173.11737	13.6
173.13210	0.9
175.11163	1.1
179.14334	0.7
181.12245	8.0
183.11620	1.1
184.07454	0.8
189.11217	1.2
191.10654	6.8
193.12303	3.6
199.13278	8.2
209.11707	16.8
210.12300	0.9
211.13318	1.6
217.14369	0.8
227.12764	15.4
229.14328	52.4
230.14648	2.0
257.13831	1.6
260.20975	0.8
265.14233	2.1
267.15976	3.8
275.20105	6.5
283.15372	100.0
284.15823	3.9
301.16437	18.4
311.14825	2.0
315.17795	1.4
349.23703	2.4
381.26385	1.2
399.23700	14.6
400.24399	1.0
407.24252	1.6
425.25311	5.4
437.25317	35.6
438.25519	2.2
491.26242	1.9
493.27725	1.2
503.33496	4.6
509.27426	7.9
527.28339	2.4
566.25104	0.9
575.35718	2.1
593.36658	0.9
607.34583	24.5
608.35052	1.7
752.51300	0.9
805.38861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	18.9
57.07061	2.9
59.04984	5.5
59.71500	1.2
61.02914	2.4
65.03917	3.7
67.05495	84.6
69.03419	6.1
69.06769	1.2
69.07064	15.8
69.68218	5.5
71.01343	1.8
71.04990	7.3
71.08608	1.3
73.02892	4.4
79.05483	50.2
81.03407	30.7
81.07043	53.1
83.01337	5.7
83.04967	16.6
83.08611	18.6
85.02883	14.2
85.06526	3.4
87.04462	3.5
91.03965	1.9
91.05468	34.4
93.07030	49.2
95.04955	19.5
95.08598	29.9
97.02877	7.9
97.06502	8.8
97.10154	14.0
99.04445	3.3
99.08066	1.5
103.03955	1.5
105.04514	2.5
105.07018	22.6
107.04942	14.4
107.08581	33.6
109.06507	9.4
109.10139	56.3
111.04414	5.4
111.08043	7.5
116.06239	1.2
117.06986	13.2
119.08568	22.6
121.06503	8.4
121.10121	15.1
123.08038	8.8
123.11731	1.4
125.05978	2.8
125.09607	13.3
129.05434	4.0
129.06979	5.1
130.07724	2.6
131.08543	11.2
133.06467	1.7
133.10100	13.5
135.08038	5.4
135.11671	28.3
135.45242	1.3
136.07480	1.4
137.09587	5.1
139.07518	1.4
143.08565	2.9
143.10649	1.6
145.06465	2.4
145.10112	27.5
147.08011	3.6
147.11636	4.9
149.09618	4.7
151.11156	4.2
153.09108	1.3
153.12738	4.2
155.08565	3.0
155.10625	4.2
157.08676	1.7
157.10023	2.8
159.11653	2.3
161.09584	1.9
163.11159	46.9
173.09579	3.9
173.11714	15.4
173.13091	2.0
175.11162	3.1
175.39487	1.2
178.84850	1.2
181.12239	10.7
184.07413	1.5
191.10620	5.9
193.12256	4.2
199.13177	6.9
209.11685	14.5
211.13283	2.0
227.12749	55.3
228.13191	1.4
229.14310	57.1
230.14732	1.7
241.14384	1.4
253.14287	12.4
257.13831	1.8
259.20404	1.4
265.14270	2.8
267.15851	19.7
273.18369	2.4
275.20010	4.0
283.15350	100.0
284.15680	3.4
291.19476	4.0
301.16425	15.3
365.23227	3.9
399.18744	1.8
399.23703	21.1
407.24237	2.4
413.26642	1.6
425.25116	4.9
437.25293	45.6
438.25479	3.6
445.25500	2.1
463.26913	5.4
475.27142	1.9
491.25970	1.8
493.27744	2.0
503.33289	2.1
509.27408	9.3
527.28491	2.4
539.33459	2.2
543.35992	2.4
557.34705	12.3
575.35345	3.9
607.25989	2.1
607.34814	28.7
608.35028	2.5
647.72510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.2
57.07090	1.4
59.04988	1.8
65.03939	4.1
67.05501	70.6
68.05856	1.4
69.03426	5.6
69.07064	14.7
70.31362	1.1
71.04992	6.0
79.05486	45.2
81.03411	83.0
81.07050	61.6
82.07417	1.9
83.04971	17.2
83.08612	21.3
85.02909	4.7
85.06535	7.1
91.05472	65.1
93.07039	39.5
94.09174	1.3
95.04960	32.7
95.08598	22.7
97.02900	4.8
97.06524	9.1
97.10181	7.2
99.04454	1.8
103.05481	1.5
105.04518	2.1
105.07019	56.8
106.07320	1.4
107.04951	13.9
107.08585	37.3
109.06492	10.3
109.10149	58.8
111.04433	3.3
111.08081	8.4
113.06016	4.0
115.05447	2.6
117.07002	9.2
119.04929	1.6
119.08570	26.7
121.06498	8.0
121.10125	13.3
123.04441	2.8
123.08058	11.1
123.11703	9.1
125.05999	1.3
125.09629	6.1
127.07565	3.7
128.06328	2.0
129.06996	12.6
131.08553	19.5
133.06487	9.2
133.10120	65.7
135.08069	5.3
135.11661	9.6
137.09610	5.0
141.06998	2.0
142.07713	2.4
143.08559	5.6
145.06493	2.5
145.10095	14.5
147.08026	6.3
147.11694	7.3
149.09627	8.5
151.11166	27.1
155.08583	1.9
155.10667	1.6
157.10124	9.8
159.08081	3.0
159.11685	5.1
161.09584	8.2
161.13289	2.2
163.11189	13.3
165.12697	1.6
169.12260	5.9
171.11705	3.0
173.08200	1.3
173.09599	2.7
173.11732	4.3
175.11217	10.2
177.09119	1.9
177.12726	1.7
179.10757	4.1
180.30167	1.3
181.12170	2.5
185.13275	2.5
189.12712	1.9
191.10768	1.6
193.12209	23.6
205.12189	1.9
209.11630	2.4
211.13338	2.1
213.12871	1.6
215.12830	4.0
225.14528	1.2
227.12711	8.8
229.14308	12.5
245.19084	3.5
249.14890	2.1
251.12651	1.6
253.14326	100.0
254.14705	2.5
255.17633	1.7
263.20053	4.1
267.15906	64.9
268.16373	3.0
271.15500	1.4
273.18521	17.6
283.15356	19.6
287.19971	8.3
290.85025	1.3
291.19485	22.6
295.14993	1.3
301.16559	1.9
309.20593	1.7
343.22626	1.6
347.22220	5.8
365.23215	32.8
389.23291	3.0
399.23721	2.8
399.61676	1.4
421.25742	3.5
425.25485	2.1
437.25165	9.8
445.25775	25.2
447.28757	1.7
459.48318	1.4
461.25186	3.1
463.26880	24.9
464.27316	1.5
465.29959	4.0
481.84595	1.6
483.31116	2.4
526.35120	1.3
529.34863	1.5
539.33734	14.2
557.34674	85.4
558.34821	5.9
575.35468	5.4
589.36835	1.5
607.34991	4.3
634.55554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	11.2
57.07061	3.2
59.04985	2.2
60.50017	1.2
61.02921	2.1
65.03931	3.3
65.88766	1.3
67.05500	48.3
69.03414	4.5
69.07066	17.9
71.01364	1.6
71.04989	8.8
73.02901	1.7
79.05042	2.7
79.05486	45.5
80.05823	1.6
81.02952	2.1
81.03412	20.6
81.07054	50.3
83.01328	5.3
83.04969	14.1
83.08611	18.0
85.02884	5.8
85.06513	3.3
91.03944	1.2
91.05476	36.2
93.07043	46.9
95.04964	18.6
95.08600	18.6
97.02873	4.6
97.06526	16.5
97.10197	8.0
97.10724	1.6
98.23439	3.3
99.04469	3.0
99.08051	1.4
102.40444	1.2
105.06350	2.1
105.07027	23.5
107.04948	11.4
107.08585	25.5
109.02862	1.9
109.06516	8.1
109.10155	16.3
111.04444	3.9
111.08052	5.7
115.05447	2.1
117.07021	15.1
119.08572	20.4
121.06503	5.5
121.10119	12.9
123.08083	9.9
123.11734	2.2
125.09633	8.5
127.03971	1.4
128.06285	1.3
129.05461	2.4
129.06981	4.7
130.07788	1.3
131.08568	14.8
132.40553	1.2
133.06505	2.1
133.10130	10.5
135.08049	5.3
135.11691	14.7
137.04820	1.2
137.09596	4.5
143.08539	5.3
143.36450	1.2
145.06477	3.0
145.10117	19.6
147.08043	5.2
147.11676	5.5
149.09598	7.3
149.13242	8.8
151.11191	3.9
153.12698	3.0
155.08554	2.0
156.67845	1.3
157.10118	4.0
159.08029	3.1
159.11667	8.4
161.09549	2.6
161.13232	1.9
163.07570	1.5
163.11166	21.5
165.12714	1.7
169.10138	2.1
171.11700	3.2
173.09653	4.8
173.11775	1.6
173.13243	2.6
175.11188	2.7
177.12675	2.5
181.12236	2.3
183.11729	1.6
185.13141	1.3
189.11205	3.1
191.10681	3.0
193.12271	2.2
195.13800	3.2
209.11711	4.9
211.13312	3.8
227.12769	12.0
229.14337	6.8
233.15289	1.8
239.17746	1.7
253.14093	1.4
257.18954	2.7
260.72153	1.4
267.15881	5.0
269.17432	2.3
275.19968	12.3
283.15390	47.7
284.15891	2.1
285.17197	2.8
289.17896	4.7
291.19626	2.0
301.16403	3.2
305.17273	1.5
339.18140	2.7
349.23740	11.4
380.12665	1.3
413.21863	7.0
437.25320	10.2
459.27396	3.5
477.28452	100.0
478.28696	5.4
501.28113	2.1
539.33582	4.4
557.34619	24.0
575.34845	3.7
589.37592	7.3
607.34503	2.6
621.32526	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	805.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51405	0.5
70.67352	0.6
71.05003	0.6
75.23766	0.6
110.09688	0.7
120.08071	0.8
122.06055	0.8
136.07579	1.4
137.05997	0.9
138.09138	0.6
144.04489	0.7
144.88930	0.7
146.06076	0.7
153.01775	0.9
166.08638	1.7
172.03856	3.3
175.03639	11.5
188.04506	0.7
189.05287	0.7
190.05052	1.5
204.06555	6.4
205.04697	44.5
206.05231	0.6
218.05516	1.0
219.06287	0.8
227.11841	1.2
232.06972	0.9
239.11781	1.0
249.07822	0.6
269.12778	1.5
271.10825	1.4
273.12378	1.0
279.11435	0.7
287.13989	1.9
325.11929	2.1
357.14377	3.1
370.15796	0.8
385.12711	2.0
395.14578	3.1
397.12463	1.5
398.15076	2.1
399.15009	3.2
404.15936	1.0
412.15265	1.2
415.13635	1.0
416.15900	1.2
425.15775	1.0
427.16913	0.7
429.15424	1.2
446.17267	0.9
458.17075	2.5
487.17093	0.7
490.19485	1.3
577.19727	0.7
583.25671	0.7
608.22089	1.9
609.23663	0.8
611.24774	10.8
612.25580	1.1
643.27258	2.1
773.30634	2.2
805.30200	100.0
806.30658	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	805.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60802	9.0
71.12454	2.5
75.54623	2.4
85.02905	3.6
90.79121	2.6
98.93895	2.3
137.05968	4.3
151.04039	3.7
153.01820	24.4
167.07066	3.4
175.03729	11.1
205.04700	21.6
206.05135	5.2
219.06381	3.3
295.20447	3.1
296.33191	2.6
346.92715	2.4
385.12711	9.3
397.12888	3.1
398.87250	2.7
399.14246	10.8
412.14743	5.0
425.15897	4.7
444.32745	2.5
446.85052	2.4
459.80078	2.7
526.06464	2.8
551.41730	2.3
610.23633	3.8
805.30151	100.0
806.30670	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	805.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.9
65.03938	1.2
69.03422	1.7
69.30002	1.5
69.30408	2.6
78.83723	0.7
79.05484	1.3
79.60377	0.8
81.03426	1.1
81.07072	0.9
82.06540	0.8
85.02900	2.5
91.05490	0.8
92.04971	1.2
93.07038	2.2
94.06573	5.2
95.07342	1.6
96.08117	4.1
97.02892	2.0
98.23415	1.6
106.06558	1.4
108.04460	2.4
108.08105	9.6
109.02879	1.2
110.09676	7.2
116.04969	1.5
119.05206	0.8
120.04441	3.9
120.08102	6.4
122.06017	5.8
124.07569	7.4
134.06017	3.6
136.07567	10.0
138.09129	9.7
144.04405	3.7
146.05981	6.1
148.07533	4.4
150.09125	1.1
152.07101	1.8
153.01756	0.8
160.03888	4.0
162.05478	3.9
164.07068	1.8
166.08626	16.1
172.03912	24.7
172.05307	1.5
172.07663	1.1
173.04259	0.8
174.05536	3.0
176.07051	2.6
182.09813	1.0
186.05392	0.8
187.08606	0.9
190.04970	18.2
190.06613	1.1
197.10791	2.0
198.11552	0.9
199.12367	1.5
200.60616	0.8
204.06540	49.1
205.06970	1.2
209.10732	1.2
210.09285	1.5
211.08705	2.6
211.12308	0.8
212.09479	2.0
213.10172	1.7
224.09373	1.8
225.10150	9.4
227.11768	12.9
236.09470	1.3
237.10222	2.9
238.11108	1.9
239.11708	3.5
241.09749	1.4
241.13329	1.3
245.12814	0.9
249.10277	1.5
251.08051	1.3
251.11792	3.3
252.08994	0.8
253.09656	5.9
255.11180	2.1
261.10318	1.0
263.08151	1.7
264.08942	3.0
265.09772	1.7
266.10733	1.1
267.11414	2.2
269.12811	16.7
271.10764	10.5
273.12289	3.9
277.09717	2.6
279.11276	5.0
280.11813	0.8
281.09564	1.5
281.12833	2.4
283.10681	5.5
284.11514	5.0
285.12338	4.3
286.13248	1.5
287.13922	15.0
294.09885	0.9
295.10709	1.3
297.12277	10.1
299.13922	4.5
300.14832	1.0
305.09140	0.9
307.10800	3.0
311.10553	1.1
312.15121	1.4
313.12732	1.1
314.12970	2.0
315.13800	1.3
316.10922	1.4
316.14343	1.6
317.15063	1.0
323.10229	6.1
325.11780	22.1
326.12686	1.1
326.16501	1.5
327.13504	2.4
327.17233	1.7
328.10873	1.9
328.14523	2.1
329.11588	1.1
329.15173	2.4
330.15939	2.4
331.16782	1.5
340.14716	1.0
341.11761	1.8
342.12280	6.6
343.12946	6.3
344.13785	1.1
344.17603	1.1
351.13922	0.9
354.12305	1.1
354.16180	1.4
355.13113	1.4
355.17020	1.4
356.14011	5.7
357.14420	20.0
358.15442	5.7
365.11307	1.3
370.15631	7.1
372.17203	1.6
378.18192	0.9
380.13626	1.0
382.11688	4.0
383.12683	3.2
384.13254	4.5
385.14108	3.2
386.14862	2.6
386.18774	3.2
388.16620	1.2
390.18253	2.8
393.27771	0.8
394.15485	1.1
398.14960	19.9
399.15750	32.7
400.16312	4.4
402.18298	1.1
404.15878	6.0
412.16782	2.4
414.18225	4.0
415.15729	1.0
416.16006	19.7
417.16483	1.3
418.17206	0.9
422.16928	2.3
428.16147	4.1
430.17682	3.9
440.15903	7.9
446.17087	8.0
458.17068	28.2
459.17438	2.2
478.19711	2.8
487.17090	9.5
488.17023	1.1
490.19785	9.0
519.19415	1.0
523.24121	1.0
525.25189	0.8
541.24512	1.0
565.24329	1.2
567.26459	1.4
569.23608	5.9
575.23083	1.0
583.25372	1.3
593.23773	5.5
601.42194	0.8
611.24927	100.0
612.25104	8.8
643.27533	15.9
669.24683	0.9
729.30188	0.9
737.28522	1.0
755.28961	1.0
773.30164	29.5
774.30243	1.6
805.32245	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31377	0.9
65.03930	1.3
67.05527	1.0
69.03422	1.3
71.04979	1.2
72.99393	0.9
76.13892	0.8
79.05483	2.0
81.07043	1.2
82.06573	0.9
83.08627	1.1
85.02907	4.0
89.03893	1.0
89.06017	0.9
93.07030	1.9
94.06568	4.4
95.07349	1.3
96.08136	3.5
97.02884	2.1
106.06564	1.2
107.07244	1.1
108.04444	1.4
108.08094	7.5
109.02895	0.9
109.10150	1.1
110.09686	7.3
116.04951	3.3
118.06564	1.1
120.04459	2.1
120.08101	5.5
120.60581	0.9
122.06036	5.2
122.09645	1.7
124.07609	2.6
134.05995	1.6
135.11885	0.9
136.07567	8.1
137.05994	1.1
138.09143	8.9
144.04454	8.5
146.05995	5.3
148.07573	3.9
152.07005	1.0
153.01768	1.0
158.09546	0.8
160.03935	2.1
162.05511	3.8
164.10899	0.8
166.08614	15.2
167.07045	1.7
172.03928	48.9
174.05402	1.2
176.06993	1.3
190.04993	11.8
192.06613	1.0
196.09949	1.2
197.10751	1.5
199.12389	2.1
204.06543	100.0
205.06886	2.5
209.10687	1.2
211.08658	2.9
212.09381	2.0
213.10146	1.1
223.08713	1.5
224.09430	1.3
225.10178	7.2
227.11736	11.1
237.10098	1.9
238.11057	1.1
239.11819	3.5
241.09595	1.7
241.13387	1.7
249.10211	1.0
251.11714	2.7
253.09729	4.0
255.11331	1.2
264.08963	3.5
265.09708	1.6
267.11185	2.6
269.12833	11.5
271.10794	7.6
273.12335	2.6
277.09787	1.0
279.11240	3.2
283.10760	5.1
284.11523	4.8
285.12299	5.9
286.12946	1.1
287.13852	19.9
295.10535	1.7
297.12390	6.5
299.13898	2.7
312.14975	2.5
313.11884	1.3
315.13837	1.5
323.10278	5.4
325.11783	10.7
326.16415	1.4
327.13440	1.8
328.10745	1.6
328.14389	2.0
329.14920	2.5
330.15991	1.5
331.16589	2.2
339.13565	2.6
341.11868	1.2
342.12607	4.5
343.12949	3.6
355.13141	2.1
356.13672	4.5
357.14413	45.3
358.15259	5.2
370.15530	4.3
371.16422	1.4
380.14029	1.6
382.11603	1.7
383.12241	1.8
384.13290	3.0
385.13940	2.7
386.14441	1.1
386.18689	3.6
390.18002	3.0
394.15057	1.3
397.15408	1.5
398.14908	14.6
398.19626	1.5
399.15784	28.6
400.16000	2.3
400.51019	0.9
402.17993	2.0
404.15997	5.1
412.16245	2.0
413.16998	1.0
414.18173	5.2
416.15988	16.2
417.16428	1.0
422.16589	1.7
428.15906	3.5
430.17511	3.1
440.16003	5.9
446.16959	6.9
448.18796	1.1
458.17099	24.9
459.17532	1.7
478.19373	3.0
487.16855	1.1
490.19720	13.2
519.19928	1.5
539.26251	1.1
565.24225	1.9
567.25830	1.2
569.23602	3.6
583.25055	1.5
593.23700	4.3
611.24939	98.6
612.25238	7.4
643.27570	51.0
643.37067	0.8
644.28058	4.8
745.30457	1.1
773.30298	8.7
805.35486	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	805.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.55664	0.5
61.02924	0.7
64.01251	0.5
67.05508	1.0
68.29938	0.6
69.03422	2.5
70.50096	0.8
71.04984	0.9
79.05481	1.4
80.05009	0.6
81.03436	1.2
82.06574	0.6
85.02894	3.1
91.05473	1.3
93.07047	3.1
94.06565	3.8
95.04937	0.7
95.07349	2.6
96.08122	5.0
97.02900	1.8
97.06516	0.9
100.11233	0.7
103.05460	1.0
107.07317	0.8
107.08571	0.8
108.08113	6.1
109.02866	1.1
110.09681	7.1
119.87733	0.6
120.04484	1.2
120.08085	7.3
120.25391	0.5
122.06011	5.2
124.07599	2.5
127.03920	0.6
136.07564	9.3
137.06001	1.2
138.09134	11.4
144.04422	0.6
146.09715	0.8
148.07568	2.9
150.09166	2.6
151.07596	0.5
152.07057	0.6
153.01814	9.0
153.02933	0.9
164.07114	0.5
166.08632	17.6
167.07069	1.6
172.03917	3.4
181.04993	0.9
190.05020	1.9
202.34824	0.7
204.06573	3.9
221.10719	1.1
222.11647	1.0
223.08591	0.7
223.12325	0.8
224.09416	0.7
225.10298	1.9
226.10913	0.6
227.11821	2.0
235.08694	3.5
236.09297	1.3
237.10179	7.3
238.10985	3.9
239.11786	4.0
247.08607	3.4
248.09366	4.4
249.10214	10.2
250.10968	12.1
250.13371	1.1
251.11761	10.2
252.12604	1.8
253.09657	1.3
253.13324	1.4
261.10251	5.4
262.11035	5.0
263.08575	1.2
263.11774	31.2
264.08923	2.0
264.12476	3.8
265.09686	4.6
265.13211	4.9
266.10474	1.2
267.11353	3.1
269.12756	1.8
271.10745	0.7
277.09720	5.8
278.10422	3.5
279.11255	29.5
280.11951	1.2
281.12805	6.0
282.10034	2.6
283.10721	2.7
284.11713	0.9
285.12375	1.4
289.09723	1.8
290.10385	1.0
291.11234	15.6
292.11938	3.7
293.12878	7.5
294.09988	1.4
295.10834	4.2
295.14243	1.1
296.11490	2.0
297.12344	4.6
298.13232	0.7
299.13785	0.6
305.09451	0.7
307.10733	9.3
309.12311	14.7
310.12866	1.2
311.13803	3.6
312.14844	0.8
318.09933	0.8
319.10764	6.1
321.12289	1.4
323.10254	2.4
323.13956	4.6
324.14465	1.1
325.11801	7.6
327.13516	1.3
328.14401	1.3
330.15964	1.2
335.10181	5.1
336.10931	3.8
337.11777	38.4
338.12143	1.9
339.13397	1.6
340.14291	1.3
342.12347	1.0
342.16141	1.9
351.13214	0.7
355.12827	11.6
355.16870	1.1
356.13718	2.8
356.17465	0.9
357.14413	26.4
358.14978	2.0
367.12875	15.7
368.13629	3.4
369.14404	16.4
370.15485	3.6
371.16138	0.9
372.17084	0.8
384.13205	0.9
384.17517	1.0
388.16663	0.7
398.15167	2.1
399.15747	2.4
400.16138	0.9
402.18060	1.6
403.18811	4.7
416.15952	1.8
416.20401	0.9
429.16736	0.9
430.17603	0.8
432.19095	1.2
440.16058	0.9
442.17639	1.4
444.19220	1.7
446.17047	1.7
447.17783	1.0
449.95306	0.7
458.16989	2.3
460.18774	2.1
462.20175	1.2
472.17978	0.9
476.21661	1.7
478.19656	1.9
487.17017	0.6
488.18176	2.4
489.18814	1.2
490.19687	10.0
492.21194	2.7
494.22766	1.4
502.19632	2.0
504.21310	2.9
520.20752	40.3
521.21405	8.7
522.22314	100.0
523.22638	7.1
593.23657	1.6
611.25031	9.4
625.26508	2.0
643.27533	7.1
644.28003	0.7
650.23248	1.3
651.23663	0.9
652.24951	2.4
682.26013	4.9
683.26697	4.3
684.27594	18.7
685.28101	1.5
773.29596	1.5
805.31342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
61.02909	0.8
65.03935	1.6
67.05492	1.4
69.03426	2.8
70.74332	0.6
70.74683	0.4
71.04996	1.0
72.46008	0.4
73.02914	0.5
77.03883	0.5
79.05482	2.1
80.05019	1.1
81.03409	1.5
81.07059	0.7
82.06578	1.4
85.02895	3.5
89.03925	1.6
91.05463	1.4
92.05009	1.3
93.05795	1.2
93.07024	2.8
94.06558	6.7
95.04956	1.1
95.07349	2.3
95.08614	1.0
96.08123	7.1
97.02880	1.8
97.06525	0.6
103.05502	0.7
105.07011	0.5
106.06528	2.0
107.07313	1.0
107.08527	0.5
108.04485	2.5
108.08099	10.4
109.02857	1.0
110.06037	0.8
110.09668	8.6
116.04965	2.6
116.07079	0.4
118.06535	1.0
120.04442	4.3
120.08087	8.6
121.06510	0.7
122.06010	7.4
122.09663	1.7
124.07584	7.7
127.03875	0.5
130.06523	0.5
132.04411	0.7
132.08073	0.6
134.06000	3.6
136.07564	11.7
137.05930	0.5
137.07970	0.6
138.05482	0.8
138.09129	12.7
138.10143	0.8
144.04436	5.7
144.08044	0.5
146.05988	7.3
148.07539	5.2
150.05525	0.5
150.09155	2.0
152.07037	2.6
153.01816	5.4
156.08063	0.5
158.09712	0.6
160.03899	3.5
162.05478	5.0
164.07045	2.0
166.08621	18.2
167.07170	1.9
167.08723	0.6
170.09558	0.5
172.03911	27.9
172.07648	1.1
173.04335	1.2
174.05475	2.5
176.07030	4.2
177.09116	0.6
178.04994	0.6
181.04985	0.5
182.08266	0.6
182.09665	1.2
183.09157	1.0
184.09952	0.8
185.10760	0.6
186.05443	1.0
186.09196	0.8
188.07095	0.8
190.04970	23.3
191.05307	0.6
192.06514	0.7
195.09244	0.6
196.07561	0.5
196.09985	0.8
197.07072	0.7
197.10756	1.9
198.07671	0.5
198.11320	0.5
199.08661	1.1
199.12263	2.3
201.10097	0.5
204.06535	46.0
205.06931	0.8
207.09248	0.7
208.09920	0.5
209.10765	2.0
210.09177	2.2
210.11374	1.0
211.08662	3.4
211.12283	0.8
212.09319	2.8
213.10272	1.0
214.10695	0.4
221.10806	0.7
222.07722	0.8
223.08722	1.4
223.12270	1.4
224.09265	2.1
225.10181	10.6
225.12183	0.7
226.10913	2.0
227.11763	17.3
228.12308	0.7
229.13280	0.8
235.08711	1.4
236.09380	3.2
237.10149	3.8
238.10786	2.1
239.08180	0.8
239.11810	4.9
241.09752	2.1
241.13353	1.4
243.11330	0.6
245.12770	1.0
247.08604	0.5
248.09567	0.5
249.10204	3.0
250.10939	1.3
251.08215	1.5
251.11780	4.1
252.08780	0.7
252.12625	0.8
253.09706	6.8
253.13379	1.0
255.11263	2.4
257.12817	0.8
258.76953	0.5
261.10220	0.8
262.11188	0.5
263.08191	1.4
263.11877	1.8
264.08896	4.6
265.09784	2.5
266.10483	1.5
267.11185	3.6
268.08420	0.5
269.12823	18.3
270.10126	0.8
270.13126	0.6
271.10742	10.1
272.11191	0.5
273.12326	4.5
277.09756	3.2
278.10428	1.2
279.11273	6.0
281.09698	0.8
281.12869	1.9
282.10074	0.7
283.10715	6.6
284.11441	4.8
285.12289	6.2
286.13004	2.0
287.10742	0.8
287.13861	15.4
289.09726	0.6
289.13190	0.6
291.11255	1.0
293.09326	1.0
293.12686	0.7
294.10013	0.8
295.10730	1.7
297.12305	11.2
299.13934	5.1
301.12622	1.0
302.12982	1.0
305.09283	1.2
307.10809	3.0
309.12344	1.8
311.10934	0.9
311.14404	1.0
312.14932	1.7
313.12827	1.8
314.12946	2.3
315.13660	1.5
316.11111	0.9
316.14554	1.5
317.15375	0.8
319.10751	0.6
321.08652	0.8
321.12329	1.3
323.10159	7.0
325.11774	23.8
326.12628	1.2
326.16614	1.5
327.13693	3.9
327.17249	0.8
328.11038	3.5
328.13989	3.2
329.11487	1.3
329.15240	2.2
330.12399	1.3
330.15988	2.4
331.16702	1.9
334.09424	0.4
335.10428	0.7
337.11908	1.3
338.12958	0.6
339.14240	2.1
340.10876	0.8
340.14389	1.3
341.11334	2.0
341.15591	0.9
342.12451	8.2
342.16055	1.5
343.12988	7.9
343.16849	0.6
344.13873	2.0
344.17645	0.9
351.13904	0.6
352.14621	0.9
353.12534	1.2
354.12659	1.3
354.16165	1.7
355.12967	2.3
356.13855	5.8
356.17358	0.5
357.14429	17.7
358.15378	5.0
365.11322	1.2
366.11987	0.5
366.16153	1.2
367.13400	1.9
368.09955	0.5
368.14078	0.8
369.11136	0.8
369.15817	1.5
370.11508	0.6
370.15509	5.6
371.16556	2.2
372.17114	1.9
373.14590	0.5
376.16571	0.6
378.18076	1.4
380.13889	1.8
382.11749	5.4
383.12427	3.2
384.13055	5.3
384.17206	1.1
385.14163	3.1
386.14102	2.4
386.19177	3.5
387.15698	1.4
388.16608	1.5
390.18179	3.8
394.15631	1.5
396.17032	1.6
397.15140	1.9
398.14923	20.6
399.15735	31.3
400.16501	3.8
402.18149	1.6
404.15985	6.5
410.15195	0.5
412.16608	2.5
414.18115	4.6
415.15955	0.7
416.15985	19.9
417.16446	1.4
418.17966	0.6
422.17062	2.4
423.13312	0.6
428.16016	4.4
430.17667	4.0
431.18347	0.8
440.15994	8.6
441.14111	2.0
443.15665	0.5
446.17023	12.2
447.17551	0.6
448.18530	0.8
458.17056	32.6
459.17365	2.3
460.18787	0.8
469.15936	0.8
472.18430	0.6
478.19415	2.2
487.17072	8.3
488.17804	0.8
489.18903	0.7
490.19705	11.7
491.19861	0.9
519.19733	1.0
520.20642	0.7
522.22552	1.0
539.26654	0.6
541.24762	0.5
551.23242	1.0
565.24469	1.9
567.26056	1.7
569.23901	4.0
575.23431	0.5
583.25397	1.6
593.23895	7.4
611.24908	100.0
612.25360	6.5
626.24585	2.4
643.27496	11.9
644.28156	0.8
729.30896	0.6
731.29248	0.7
737.28510	0.7
745.30713	1.3
755.29327	0.9
773.30115	19.9
774.30115	1.4
788.29694	0.6
805.31830	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	1.3
67.05494	1.0
69.03442	3.2
69.64144	2.3
73.02914	1.1
79.05502	1.8
80.05014	0.9
81.03407	0.9
83.80450	0.8
85.02909	2.6
91.05480	1.6
93.07030	2.2
94.06567	6.7
95.04971	1.2
95.07371	2.8
96.08129	5.5
96.13140	0.9
97.02892	1.2
99.04443	1.1
106.06569	2.0
107.07292	0.9
108.04488	2.4
108.08105	12.0
109.09007	1.0
109.20879	0.9
109.41241	0.8
110.09669	9.8
116.04981	3.4
118.06525	1.7
120.04486	4.0
120.08093	7.5
122.06029	7.0
122.09670	1.4
124.07572	6.6
127.55360	1.0
128.18254	1.1
134.06047	3.0
136.07567	11.2
137.05914	1.6
138.09134	11.7
144.04420	4.4
146.06039	6.6
148.07602	3.9
150.05566	1.0
150.09189	1.9
152.07111	2.3
153.01830	2.4
160.03983	4.3
162.05547	4.0
164.07124	2.6
166.08614	18.3
166.09808	1.4
172.03923	24.8
172.05309	1.7
174.05540	2.6
175.03658	20.3
175.05144	1.2
176.07083	3.2
188.04488	2.0
190.04958	21.3
197.10750	3.7
199.12447	1.4
204.06548	50.2
205.04791	2.9
205.06877	1.2
209.10851	1.5
210.09332	1.8
211.08716	3.4
211.12268	1.2
212.09370	2.3
213.10172	1.6
214.66939	0.9
219.06393	2.7
223.08592	1.3
224.09543	2.3
225.10211	10.6
226.10895	1.3
227.11748	16.9
227.13785	1.5
229.13451	0.9
235.08730	2.4
236.09576	2.7
237.10265	3.3
238.11119	2.6
239.11670	4.8
241.09811	1.4
241.13284	2.5
245.12885	1.5
249.10295	3.2
250.10928	1.1
251.11853	2.8
253.09720	8.2
255.11334	1.8
263.08197	2.2
263.11737	1.0
264.09052	3.9
265.09747	1.7
266.10568	1.6
267.11383	3.2
269.12830	18.6
271.10699	8.7
273.12439	3.8
277.09778	3.0
279.11316	6.7
280.12225	1.0
281.09631	1.8
281.13016	3.1
283.10681	6.7
284.11511	4.8
285.12387	5.6
287.13934	11.8
295.10809	2.0
296.11920	1.1
297.12366	11.2
299.14120	6.1
302.45563	1.1
307.10822	3.0
309.12335	1.2
312.15118	1.3
313.12933	1.9
314.13058	3.1
315.13751	1.7
316.14407	1.6
323.10159	7.8
324.14929	1.0
325.11795	21.5
326.16776	1.5
327.13596	3.1
328.10916	2.1
328.14514	3.0
329.15173	1.9
330.12418	1.0
330.16122	2.6
331.16992	2.3
334.09357	1.0
337.12146	2.3
339.13721	1.0
341.11533	1.2
341.15518	1.5
342.12436	7.4
342.16052	1.7
343.12881	7.8
344.13477	1.2
347.10910	1.0
352.14743	1.5
353.12488	1.4
354.12494	1.6
355.13232	2.1
356.13852	5.9
357.14435	17.5
358.15460	5.3
365.11285	1.1
367.12750	1.0
368.14316	1.4
369.14856	1.2
370.11746	1.1
370.15530	5.0
371.16238	2.8
372.17096	1.6
378.18149	1.6
380.13721	1.6
381.12903	1.9
382.07562	1.3
382.12329	4.2
383.12802	2.1
384.13531	4.3
385.12604	6.8
386.14465	2.1
386.18802	3.8
388.16965	1.3
390.18304	3.6
394.15256	2.2
395.13858	1.1
397.12646	2.8
398.14960	24.5
399.15720	33.9
400.16241	3.5
402.18350	1.7
404.16049	6.4
412.15195	4.3
414.18274	5.7
416.16058	20.7
417.16678	1.4
422.17780	2.1
425.15811	4.1
428.15793	4.6
430.17413	4.8
440.15988	9.9
441.14520	2.7
446.17017	12.7
458.17062	38.4
459.17728	2.5
460.18649	1.2
473.17572	1.4
478.19897	2.1
487.17010	9.1
490.19772	11.1
519.19910	1.4
551.22864	1.5
565.24713	1.6
569.24005	4.4
583.25458	2.6
593.24243	6.2
609.23444	1.0
611.24939	100.0
612.25146	7.4
626.25171	2.7
643.27722	10.0
731.29840	1.5
745.29431	1.3
755.29657	1.3
773.30194	18.1
774.31116	1.2
776.42047	1.1
805.30139	88.0
806.31097	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	806.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16911	0.1
59.22765	0.1
62.23151	0.1
62.89661	0.1
64.61467	0.1
69.03420	0.3
69.22368	0.6
79.01843	5.6
81.03410	0.8
97.02881	1.1
107.01318	1.4
109.02853	0.9
123.00762	0.2
125.02331	3.2
127.03906	2.2
131.04852	0.2
143.02228	0.3
143.03375	7.6
153.01807	100.0
153.02864	5.5
154.02133	1.6
159.04382	0.3
181.01279	0.2
191.03462	0.3
205.04936	0.4
213.03922	0.2
215.03343	0.2
217.04996	0.2
228.35956	0.1
233.04384	1.2
237.03915	0.4
243.02748	0.2
261.03903	1.8
277.03473	0.2
279.01941	0.2
279.04965	3.0
305.02896	1.6
394.15097	0.1
431.05899	0.3
445.29242	0.2
449.07068	1.3
619.08911	0.4
771.09955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05851	1.4
57.03435	20.3
57.07069	2.4
59.04982	4.7
61.02916	6.3
61.17893	1.3
65.03931	5.9
67.05499	75.7
68.05829	2.1
69.03421	8.2
69.07063	25.3
71.01345	3.1
71.05006	8.6
73.02904	3.2
79.05486	64.7
79.05948	3.4
80.05804	2.2
81.02962	3.2
81.03416	49.7
81.07051	79.1
83.01336	7.2
83.04977	22.9
83.08611	29.2
85.02896	19.4
85.06546	4.4
87.04456	2.2
90.49651	1.5
91.03950	2.4
91.05475	60.9
93.07038	62.2
94.07349	2.1
95.01296	1.6
95.04964	32.5
95.08596	29.3
97.02869	7.1
97.06526	9.7
97.10165	10.1
99.04440	3.7
99.08089	1.8
103.05462	2.1
105.03417	2.0
105.04508	3.0
105.07016	38.9
105.15116	1.3
107.04951	20.1
107.08578	33.0
109.02848	2.2
109.06500	14.1
109.10147	32.9
109.71799	1.3
111.04408	6.8
111.08080	6.8
115.05457	2.8
116.06152	1.3
117.00980	1.3
117.07007	19.5
119.04938	2.6
119.08571	36.9
121.06522	9.6
121.10138	21.8
123.04430	1.7
123.08070	19.9
123.11700	4.0
125.09612	13.9
128.06224	1.5
129.06978	13.5
130.07773	2.3
131.04898	1.8
131.08542	19.9
133.06485	4.8
133.10114	18.5
135.08038	7.6
135.11690	17.2
137.09602	7.6
142.07782	3.2
143.08553	5.7
145.06483	3.1
145.10110	32.3
146.10522	1.7
147.08060	13.6
147.11653	11.2
149.02371	3.1
149.09612	13.4
150.02705	2.1
151.11160	2.8
153.12740	3.8
155.08577	3.5
155.10600	1.9
157.06497	2.3
157.08908	1.5
157.10103	10.3
159.08044	3.4
159.11685	5.4
161.09575	7.4
161.13275	1.7
163.11171	30.4
164.11539	2.1
164.57863	1.4
165.12749	2.0
171.10268	2.4
171.11687	5.3
173.09607	6.4
173.11748	8.4
173.13051	1.6
175.11176	10.9
181.10309	1.8
181.12230	5.1
183.11853	1.7
184.07195	2.5
185.09512	1.8
185.13246	2.1
189.11182	4.1
189.12657	1.6
191.10661	5.9
193.05008	2.2
193.12215	23.2
195.11578	2.4
197.07225	2.1
199.11095	2.7
199.13145	1.5
205.12173	1.4
209.11636	9.0
211.13269	31.4
211.15103	2.7
220.29889	1.7
222.27119	1.4
227.12758	9.5
227.17909	2.7
229.14287	18.0
231.13768	1.4
245.18930	2.3
249.14659	1.7
255.17688	2.0
259.20560	2.4
261.10953	1.4
265.14294	2.2
267.15884	13.2
269.17636	1.8
273.18475	23.9
275.20108	3.2
283.15372	100.0
284.15747	5.2
285.16898	22.2
291.19537	33.9
301.16409	5.1
302.80054	1.4
309.16171	6.9
327.17319	1.8
347.21970	4.1
349.23395	2.7
365.23444	2.1
383.19806	18.2
388.10190	1.6
393.89874	1.3
398.78439	1.4
399.23813	5.0
401.20850	31.2
421.25781	3.4
439.26831	13.9
475.26758	1.7
493.27716	2.2
511.28931	3.5
543.36835	2.5
555.33063	8.1
559.35797	3.3
573.34070	9.2
591.30688	30.8
609.31152	35.7
610.31671	4.3
723.91779	1.7
790.96667	1.8
807.41296	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	25.1
57.07066	1.7
59.04989	4.5
61.02926	4.5
62.33099	1.8
65.03927	3.7
67.05496	100.0
69.03417	7.1
69.07055	17.8
69.67287	1.4
71.01331	2.7
71.04992	8.5
73.02903	3.9
75.81331	1.6
77.03944	1.9
77.08434	1.5
79.05486	45.8
81.03409	71.5
81.07050	53.1
83.04971	22.3
83.08611	32.8
85.02891	37.7
85.06533	4.6
87.04459	5.5
91.05470	51.3
93.07034	29.5
95.04960	33.4
95.08596	23.6
97.02896	8.0
97.06517	9.8
97.10171	15.2
99.08053	1.8
103.03931	1.5
105.07021	30.7
107.04928	13.8
107.08582	18.2
109.06513	5.9
109.10143	58.4
109.28706	1.9
111.04425	3.9
111.08076	16.9
113.05988	3.1
115.05418	2.1
117.07004	4.7
119.08569	30.5
120.13517	1.6
120.97005	1.7
121.06499	2.9
121.10154	12.1
123.08046	4.5
125.09596	15.9
129.05470	3.1
129.06984	14.8
131.08562	12.7
133.06454	3.4
133.10124	17.1
135.08037	2.7
135.11690	5.6
137.09644	5.1
142.07730	3.2
143.10651	2.7
145.10123	6.4
147.08041	6.6
147.11670	19.6
149.09593	8.2
153.12711	3.8
155.10677	4.3
157.08795	3.1
157.10095	19.4
163.11151	8.4
165.12819	2.7
173.09671	1.5
173.11736	16.7
175.11133	16.3
181.12292	3.2
191.10628	2.6
193.12221	60.7
194.12689	1.9
199.13266	6.7
209.11771	7.6
211.13272	95.2
212.13504	1.9
214.76073	1.9
216.49136	1.8
227.12798	6.8
229.14310	49.0
249.14926	3.0
251.99736	1.5
253.14310	2.1
265.14252	2.8
267.15875	33.1
268.16611	1.9
283.15375	7.1
285.16931	60.6
301.16461	12.9
349.24106	1.8
399.23639	18.6
421.25876	13.4
427.27121	3.4
439.26825	45.6
440.27213	3.1
475.26889	3.0
477.27930	1.8
493.27820	4.5
498.80865	1.7
511.28876	14.5
529.30054	2.2
591.35272	2.3
609.36188	39.6
610.36566	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	806.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03177	1.8
57.03434	22.6
57.07063	5.4
59.04989	3.7
61.02925	7.3
65.03933	5.2
66.04652	1.1
67.05500	100.0
67.91076	1.3
69.03424	12.2
69.07063	64.8
71.01362	2.2
71.04987	8.0
73.02931	6.1
77.03900	2.6
79.05486	70.4
80.05828	1.6
81.03412	33.6
81.07050	68.2
82.04202	4.8
83.04976	21.1
83.08611	19.0
85.02906	14.2
85.06532	4.9
87.04440	1.5
87.58656	1.4
91.03975	2.1
91.05476	75.1
93.07038	55.4
95.04964	38.4
95.08597	46.6
95.09210	1.8
96.05770	1.5
97.02885	8.8
97.06531	26.8
97.10155	21.0
98.07303	4.6
99.04462	2.3
99.08082	2.2
101.06033	1.5
103.03934	1.9
104.06291	2.0
105.04492	3.4
105.07018	51.7
107.04952	15.0
107.08589	28.2
107.09222	0.8
109.02885	1.7
109.06493	9.7
109.10146	49.0
111.04429	2.9
111.08079	9.6
113.05979	1.4
113.09641	2.7
115.05453	3.6
116.04684	8.1
116.06179	1.4
117.07011	18.5
119.08572	39.2
121.06498	6.6
121.10125	18.1
123.04472	1.4
123.08070	9.0
123.11706	3.6
125.05957	1.9
125.09615	23.1
127.03947	1.8
127.11183	1.6
128.06166	1.4
129.04553	2.6
129.05470	25.5
129.06964	11.2
130.07784	1.7
131.08559	23.0
133.06476	3.6
133.10117	27.3
135.08014	7.5
135.11681	11.5
137.09616	18.5
139.07526	2.4
139.11108	1.6
141.07013	3.4
141.09119	2.0
142.07816	3.0
143.07086	6.9
143.08522	6.5
143.10672	1.3
145.06419	1.7
145.10109	18.7
146.10841	1.6
147.08017	4.4
147.11655	16.6
149.09608	27.4
149.13229	2.9
151.11186	4.0
153.09093	2.1
155.08524	3.4
155.10672	5.5
157.08606	10.9
157.10110	8.7
158.05728	2.1
159.11711	11.6
161.09625	5.5
161.13252	6.5
163.11160	17.4
164.11786	1.6
165.09116	2.9
165.12746	2.9
167.10649	1.8
169.10141	2.9
171.06441	2.2
171.10150	6.2
171.11674	3.4
173.04488	1.4
173.09596	2.5
173.10411	1.2
173.11723	12.7
173.13242	6.9
175.11180	8.7
177.12735	4.3
179.14311	5.6
183.11632	2.3
184.07352	2.7
185.11752	2.4
185.13271	2.9
187.11232	1.6
187.14783	2.3
189.11240	7.8
189.12709	2.1
191.10677	3.6
193.12215	16.0
195.11760	1.2
195.13800	1.8
197.13310	1.6
199.09605	1.3
199.13315	9.1
200.14207	2.0
201.14934	1.5
202.32373	1.4
209.11696	6.6
211.13261	10.0
223.13290	3.9
225.11310	2.0
227.12755	11.7
229.14299	18.1
229.19388	2.8
239.17882	2.8
243.15796	1.6
245.18919	1.6
247.20502	2.5
253.14307	3.5
255.15787	3.1
257.18896	9.1
267.15842	14.1
269.17328	1.6
273.18524	5.9
274.19202	1.9
275.20038	36.6
276.20285	2.1
283.15491	6.4
283.18527	1.6
285.17038	5.7
291.19443	9.9
293.21027	3.2
297.17026	1.6
299.14746	1.7
301.16455	43.8
302.16684	1.9
324.09253	1.2
349.23691	43.7
350.24142	1.6
365.23148	4.7
367.24368	2.2
383.23868	1.9
397.22089	4.7
399.23621	1.8
409.25873	2.2
439.26764	3.4
455.26468	8.6
467.31638	1.4
474.33932	1.4
479.30243	7.6
519.33289	1.6
541.35175	5.8
557.34589	1.4
559.36060	6.9
575.35730	27.1
576.35950	2.5
593.36664	2.3
609.36072	1.9
786.54700	1.3
807.43500	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	806.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	29.9
57.07082	3.3
61.02926	4.6
65.03933	5.4
67.05496	100.0
69.03423	15.2
69.07059	31.9
70.37785	5.8
71.01337	4.3
71.04987	15.2
73.02925	5.0
74.46461	2.0
79.05483	79.4
81.03407	73.5
81.07048	98.8
83.04971	34.1
83.08607	39.4
85.02891	30.8
85.06544	6.6
91.05470	78.1
91.06050	3.6
91.35145	2.1
93.07033	67.7
95.04964	45.4
95.08591	30.4
97.02889	17.7
97.06524	21.4
97.10159	24.6
99.04456	3.6
99.08073	4.6
105.04530	4.7
105.07012	53.4
107.04955	19.0
107.08574	37.3
109.06509	21.7
109.10148	25.2
111.04456	6.1
111.08079	19.3
113.05948	2.9
115.05435	6.5
116.04702	3.9
117.07012	20.9
119.08555	40.4
121.06483	11.2
121.10106	20.0
123.04434	4.2
123.08060	15.7
123.11698	3.7
125.06012	3.0
125.09615	24.2
127.03899	3.2
129.05492	12.0
129.07001	20.5
131.08546	33.7
133.06476	7.0
133.10112	27.1
135.08072	10.2
135.11681	13.2
137.09618	9.4
141.07014	3.4
143.06976	3.9
143.08559	9.8
145.06436	2.6
145.10088	19.2
147.08009	12.4
147.11655	24.0
149.09615	16.0
149.13286	9.4
151.11191	3.8
153.09044	3.9
153.12613	3.1
155.08603	2.7
157.08710	5.4
157.10118	22.7
159.08041	4.1
159.11688	11.3
161.09619	6.0
163.11172	14.5
165.09137	2.9
165.12778	4.7
169.10172	4.4
171.10268	4.9
171.11679	5.6
173.09616	4.0
173.11774	4.0
175.11169	18.7
177.12706	3.0
178.92361	2.2
181.12151	2.9
187.11198	2.4
189.11159	12.3
189.12671	2.8
191.10637	3.9
193.12206	42.9
195.13699	2.7
199.13307	3.2
209.11655	2.7
211.13258	53.0
227.12666	16.0
229.14407	7.8
245.18811	2.8
257.19125	2.9
267.15881	27.8
269.17490	8.7
273.15729	2.8
273.18436	17.3
275.19992	18.3
283.15396	6.6
284.08557	2.4
285.16937	42.6
289.18112	3.2
291.19507	24.4
301.16428	22.0
309.20447	4.1
347.22150	5.5
349.23685	8.1
365.23126	16.6
383.24316	5.0
399.23730	5.2
413.21561	5.1
437.25592	4.1
439.26910	19.7
443.27994	4.9
461.28973	25.5
479.29987	69.4
500.84286	2.5
541.34918	11.0
557.34277	8.7
559.36017	23.0
573.34467	4.3
575.35822	4.9
587.32001	3.2
591.36017	13.0
609.36237	13.2
623.34381	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	806.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	21.3
57.07066	2.3
59.04982	6.6
61.02907	4.6
61.34315	2.0
62.97548	1.9
65.03927	6.3
67.05499	91.3
68.05837	2.7
69.03425	9.9
69.06454	7.2
69.07071	25.6
71.04981	11.9
71.08601	2.4
79.05485	78.3
81.03408	100.0
81.07048	85.1
82.03734	2.6
82.07364	3.2
83.04970	15.9
83.08605	29.4
85.02898	10.9
85.06522	3.7
87.04465	2.8
91.05470	73.0
92.05795	3.5
93.06445	3.0
93.07035	60.7
93.82233	1.8
95.04953	43.9
95.08600	40.5
97.02858	6.9
97.06502	10.6
97.10171	13.8
99.08079	3.9
103.05450	1.9
105.04517	3.7
105.07016	61.7
106.07352	2.1
107.04938	15.1
107.08585	41.4
109.06521	10.1
109.10139	32.7
111.04430	4.9
111.08067	11.4
115.05410	5.0
117.07007	23.8
119.07745	3.5
119.08566	50.7
120.08885	3.5
121.06469	9.4
121.10139	25.0
123.08071	6.7
123.11680	5.9
125.09629	9.5
128.06224	4.2
129.05469	2.7
129.06989	21.5
130.07736	2.1
131.08557	35.6
133.06467	6.2
133.10123	36.1
135.08051	9.1
135.11671	12.5
137.06073	2.1
137.09589	4.1
141.06944	2.2
142.07750	4.4
143.08553	11.2
145.06435	3.3
145.10091	21.1
147.08044	6.1
147.11661	26.5
149.09607	13.0
149.13248	8.0
151.11130	6.7
155.08537	5.8
155.10620	2.4
157.10118	21.8
159.08055	3.3
159.11681	17.5
161.09608	4.4
161.13242	6.4
163.11136	8.4
165.12749	3.9
169.10114	6.9
171.11674	9.0
173.09549	2.3
173.11722	5.1
173.13260	6.6
175.11197	12.4
175.14676	3.7
177.12654	2.8
183.11673	5.8
185.13271	6.9
187.11179	2.9
189.11197	5.0
191.14297	2.5
193.12209	28.6
195.11713	4.3
195.13794	5.6
197.13202	5.8
199.11266	2.1
199.13208	2.6
199.14886	4.7
203.14195	3.4
211.13252	15.1
225.14722	2.4
227.12680	11.5
229.14307	14.1
241.19333	3.1
249.14810	3.7
253.14288	4.6
254.14699	5.6
257.18961	6.0
259.20618	11.6
267.15884	55.6
268.16171	5.5
269.17422	12.8
273.18381	2.7
275.19998	10.3
281.19037	2.2
285.16934	5.5
293.21054	8.5
299.23718	2.5
301.16547	2.4
329.21368	3.0
333.24130	4.9
349.23749	7.2
351.23441	3.0
367.24338	3.7
369.24054	3.9
399.19394	3.7
421.25726	8.1
433.30658	4.3
435.27374	3.0
437.29831	2.4
439.26773	8.5
443.27652	6.7
449.29327	2.8
451.31857	4.7
461.28967	25.8
493.31808	4.9
525.35559	19.9
540.33661	2.9
541.34839	6.9
543.36780	45.4
544.36896	4.0
557.38428	3.8
558.34406	3.9
559.35510	11.1
575.38733	6.4
609.35315	4.2
807.40924	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	806.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48631	2.2
57.03434	22.5
57.07059	3.1
59.04981	3.0
61.02924	3.0
63.14719	2.2
65.03922	6.8
67.05498	100.0
67.05867	5.0
69.03413	13.9
69.07056	33.3
70.70646	3.3
71.04999	13.1
79.05482	71.7
81.03409	76.2
81.07049	96.4
83.04966	26.2
83.08610	40.0
85.02904	30.0
85.06531	7.4
91.05470	70.2
91.06046	3.4
93.07035	66.9
95.04958	41.9
95.08594	30.9
97.02882	8.9
97.06522	23.3
97.10149	15.7
99.04442	2.8
99.08067	3.6
105.04488	3.2
105.07027	42.5
107.04922	18.7
107.08586	35.7
109.02877	3.2
109.06505	16.9
109.10145	38.8
111.04423	6.1
111.08083	17.2
113.05968	2.9
115.05440	4.8
117.06992	16.8
119.04855	2.9
119.08564	41.2
121.06510	8.6
121.10143	24.5
123.08044	10.5
123.11692	5.2
125.09608	14.5
129.05469	5.8
129.06979	17.3
131.08549	29.6
133.06456	3.8
133.10115	28.7
135.08063	5.9
135.11710	11.6
137.09579	7.0
142.07822	2.8
143.08531	8.6
145.10106	18.6
147.08032	10.3
147.11681	22.4
147.77266	2.3
149.09599	17.6
149.13272	12.0
151.11209	3.4
153.09079	3.3
153.12700	3.2
155.08546	4.7
155.10603	2.7
157.08920	3.3
157.10094	20.1
159.11710	14.0
161.09584	5.5
161.13161	3.4
163.11191	13.1
165.09081	3.5
165.12695	5.1
169.10051	3.9
171.11690	4.4
173.11787	6.7
175.11160	21.5
177.12759	5.8
181.12163	4.0
184.07327	3.5
189.03963	2.7
189.11201	8.5
191.10594	4.6
193.12209	47.9
195.13794	3.2
195.57396	3.0
199.13065	2.6
211.13263	50.3
219.13989	2.2
227.12730	15.8
229.14279	21.2
230.24765	6.5
247.67587	2.6
267.15884	36.1
269.17429	10.8
273.18414	9.6
275.19995	19.9
283.15359	9.9
285.16931	49.9
286.95001	2.7
289.17920	3.4
291.19528	13.5
301.16345	8.0
347.22440	4.6
349.23514	13.7
365.23181	6.3
383.24432	3.6
413.21512	4.2
421.25766	6.9
437.05219	3.0
437.25009	4.1
439.26910	48.3
440.27176	3.0
443.27905	3.3
461.28989	25.9
479.30008	73.5
480.30133	3.7
519.33087	3.9
541.35144	12.9
557.34387	3.9
559.36316	23.2
560.36462	2.8
573.33923	4.4
575.35767	3.2
591.36829	10.8
605.33331	4.9
609.35938	4.0
623.34235	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	806.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00773	20.5
67.05515	37.2
69.00925	20.4
69.07056	33.8
69.49867	58.2
69.50278	47.9
79.05482	51.0
81.07051	58.7
86.90558	20.8
91.05489	36.7
92.59975	24.0
93.07047	39.0
95.08585	32.0
97.07843	22.1
105.07026	53.7
131.08551	26.6
131.36670	22.9
133.10130	28.5
134.50775	22.1
136.05937	23.9
159.11613	30.8
193.05824	21.6
219.17465	70.9
335.25906	73.5
382.90692	24.6
408.96570	23.4
422.36008	23.2
502.03558	24.7
609.44928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.0
61.02927	1.1
69.03427	3.2
79.05482	2.4
81.03410	2.1
85.02917	5.3
91.05475	1.8
93.07034	2.2
94.06544	5.8
95.04987	1.7
95.07350	3.1
96.08109	6.3
97.02882	1.8
98.23233	1.4
100.11268	1.8
106.06555	2.2
107.07359	1.5
108.08099	12.1
110.09663	10.6
120.04484	2.9
120.08101	7.8
121.08870	1.1
122.06014	9.2
122.09640	4.7
124.07571	5.1
132.08084	2.5
134.06006	3.4
134.09679	1.1
134.19016	0.9
135.06850	1.2
136.07552	25.6
137.05969	3.1
138.09117	16.1
140.39209	0.8
143.74957	0.9
144.04436	4.0
146.05983	6.4
148.07532	12.7
150.09123	8.8
152.07039	20.8
152.08191	1.6
153.01895	1.1
160.03972	1.0
160.07584	1.8
161.05945	1.3
162.05490	3.0
164.07022	5.6
166.08614	31.8
167.07030	1.4
172.03911	24.9
174.05505	1.8
174.09152	1.7
176.07097	3.2
182.08119	2.7
182.15381	1.2
184.09871	1.1
190.04953	12.6
197.10808	1.7
198.11530	3.1
204.06541	31.0
209.10748	2.3
210.11528	3.5
211.12202	6.7
212.13008	1.7
218.08200	1.7
223.12308	3.4
225.10103	5.7
225.13768	2.2
226.10991	4.0
227.11794	3.6
229.09741	2.2
235.08688	1.9
235.12419	2.1
237.10199	8.8
238.10963	6.3
239.11739	9.8
240.12527	1.1
241.09813	1.1
241.13495	1.4
243.11215	1.4
248.09538	1.2
249.10185	6.6
250.10954	5.8
251.08000	1.5
251.09245	1.3
251.11761	13.8
252.08850	1.5
252.12572	4.0
253.09679	2.6
253.13268	5.3
255.11317	3.5
256.11954	2.3
257.12909	2.1
259.14371	1.4
263.07718	1.3
263.11792	14.3
264.08801	3.3
264.12576	3.3
265.09717	5.0
265.13354	6.3
266.10413	4.9
267.11237	18.1
268.11917	1.2
269.12827	4.0
271.10852	2.6
271.14404	5.2
273.12247	2.5
277.09735	3.3
278.10449	3.2
279.11285	26.5
280.11911	6.2
281.12753	8.8
282.13776	1.2
283.10785	5.0
283.14465	1.8
284.11526	10.3
285.09180	2.2
285.12280	32.0
286.12738	1.5
287.13974	2.2
288.14719	1.1
289.15866	1.1
291.11218	13.2
292.11948	2.6
293.09637	1.9
293.12759	10.6
295.10678	3.6
295.13895	1.5
296.11481	4.9
297.12289	43.0
298.12830	3.9
299.13858	6.9
307.10666	2.4
309.12277	15.4
310.12991	3.6
311.10199	4.5
311.13934	4.1
312.10895	1.7
313.11618	2.3
319.10712	8.5
321.12354	9.7
323.10281	10.0
323.13824	2.1
324.10803	1.4
325.11786	16.2
326.12152	1.3
327.13342	9.6
328.14255	1.6
331.16541	1.3
337.11771	38.4
338.12308	3.9
339.13306	6.5
340.14053	1.1
341.11227	1.8
342.16113	1.2
343.12927	3.8
355.12857	2.3
357.14368	10.7
358.15500	2.6
359.15918	2.4
369.14410	4.7
370.15405	2.1
371.15903	2.8
372.16837	1.8
373.13947	1.8
376.16718	1.2
385.13980	2.0
390.18039	1.9
392.19110	1.3
399.15198	2.0
400.16495	2.3
402.18088	2.8
404.19589	3.2
412.16385	1.7
414.17972	1.9
416.29578	1.2
418.17233	1.6
420.19009	1.8
422.20697	2.5
428.19629	1.6
429.16623	1.0
430.17490	6.5
432.18954	6.1
436.18683	1.4
442.17337	2.3
444.19226	1.9
446.20694	2.0
448.18552	20.2
449.19293	11.1
450.20236	10.2
460.18564	13.3
461.18909	1.1
462.20026	3.9
463.20761	1.2
472.19000	1.1
474.20337	4.2
476.18347	4.6
477.19104	6.8
478.19580	4.7
480.21207	2.3
487.17102	5.7
490.12460	1.4
490.19601	27.4
491.20096	3.4
492.21277	8.8
522.22296	16.3
523.22821	2.8
585.26294	1.7
594.24133	3.0
595.25287	8.1
608.26184	1.7
611.24384	4.0
612.25366	4.9
613.26447	100.0
614.26825	6.2
635.88904	1.1
636.25342	1.9
645.29199	11.5
652.24854	18.3
653.25616	9.1
654.26587	4.7
684.27441	11.2
685.28015	4.1
761.85657	1.0
775.31763	26.4
807.32800	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	807.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.3
58.82209	0.4
61.02917	4.0
67.05501	6.9
68.65993	0.4
69.03423	2.0
69.07042	1.0
71.01329	0.4
71.04977	0.7
73.02900	2.6
77.03923	0.8
79.05491	3.7
81.03418	2.1
81.07054	3.7
83.04977	0.7
83.08589	1.2
85.02901	4.8
85.05721	0.4
88.65353	0.4
91.03946	3.3
91.05462	2.7
93.07043	3.3
95.04957	1.7
95.08611	1.9
97.02892	3.4
97.06499	0.4
99.04476	1.2
100.02254	0.4
101.02376	1.6
105.04462	0.5
105.07011	2.2
107.04945	0.5
107.08604	1.2
109.02844	1.2
109.06519	0.5
109.10141	8.4
109.95891	0.4
115.03899	0.4
116.39181	0.5
117.07031	0.5
119.08597	1.8
121.10146	0.7
127.03923	1.3
129.05415	0.5
129.07002	1.2
131.08589	0.5
133.10112	0.9
137.09550	0.5
145.04961	0.4
145.10143	0.6
147.11684	1.9
161.13229	0.5
170.90771	0.5
171.11716	1.4
173.11690	2.5
184.07307	0.8
185.04210	1.4
189.12685	0.5
191.65663	0.5
195.09892	0.6
203.05318	0.5
207.13811	0.6
229.14392	1.7
243.08409	3.1
247.10704	0.4
247.13066	2.1
251.12347	0.6
270.17651	0.5
281.01230	0.4
281.17346	0.7
301.06134	0.5
301.08969	3.0
303.15857	1.0
315.10446	0.6
345.16916	0.5
371.17007	1.0
373.11108	1.5
385.18668	1.0
413.17743	11.6
429.26321	0.8
455.18826	0.5
457.20181	0.6
465.20874	12.4
466.21304	0.9
475.26254	0.4
481.20337	1.0
495.21988	1.9
524.22186	1.5
537.23193	1.9
565.29645	1.6
579.31244	1.9
580.32336	0.8
593.29413	0.7
607.31384	0.5
608.31696	1.1
637.31854	100.0
638.32220	8.4
663.33038	1.0
665.34888	3.5
693.34650	3.7
807.41437	11.9
808.41583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	25.1
59.04968	2.1
61.02912	5.5
65.03919	4.8
67.05500	66.5
67.05862	3.4
68.05833	3.2
69.03423	10.7
69.07059	28.4
71.04984	9.2
73.02905	2.9
77.03907	2.4
79.05483	71.9
80.05849	2.9
81.03406	97.1
81.07047	100.0
82.03757	3.0
82.07396	3.5
83.04959	21.3
83.08122	2.7
83.08611	36.2
85.02891	28.9
85.06538	4.8
86.09704	3.2
86.86734	1.8
91.05471	77.6
92.05785	4.6
93.07034	58.4
94.07361	2.2
95.01333	1.8
95.04956	47.7
95.08581	28.0
95.09134	2.5
96.05324	2.5
97.02882	8.0
97.06520	12.1
97.10146	10.3
98.23533	2.8
99.04412	2.4
99.08083	4.2
103.05508	2.5
105.04521	4.6
105.07018	49.6
105.07727	2.7
106.07362	2.2
107.04935	25.3
107.08577	24.9
108.08906	2.4
109.06511	11.1
109.10152	17.9
111.04420	6.4
111.08063	17.1
113.06008	2.8
115.05458	4.2
117.01066	2.4
117.07027	18.0
119.08562	52.8
120.08884	2.4
121.06485	9.6
121.10129	24.0
123.08060	16.6
123.11673	3.0
125.09608	8.9
128.06236	2.3
129.06973	24.3
131.07654	3.2
131.08559	34.9
133.06476	7.9
133.10121	23.2
135.08051	6.9
135.11708	11.4
137.09589	6.2
142.07753	5.4
143.08540	9.6
145.06483	3.3
145.10091	20.3
147.08041	16.4
147.11667	23.1
149.09607	24.4
150.09956	2.2
151.11198	3.1
153.09065	2.3
157.10118	19.0
159.11650	7.9
161.09619	5.4
163.11153	16.8
165.09172	2.1
165.12708	3.5
171.11650	5.8
173.09576	3.0
173.13232	3.9
175.11153	16.8
183.11662	2.6
184.07358	6.4
185.13205	2.8
187.11101	3.2
189.12837	2.5
193.12228	47.9
194.12601	3.1
197.07317	4.3
197.13318	2.2
209.11621	2.3
211.13255	76.2
212.13655	2.7
219.13788	2.8
223.13242	3.2
226.45857	2.2
245.19011	3.2
255.17444	2.6
259.16544	2.0
267.15894	42.6
268.16193	8.5
273.18442	27.5
275.20132	3.9
283.15411	10.6
285.16928	69.8
286.17218	4.2
291.19482	40.7
301.16190	3.4
309.16110	6.1
327.17334	3.1
347.22113	7.7
349.23563	5.3
365.23209	2.9
367.24673	2.4
383.19781	30.1
401.20847	35.0
461.29025	2.4
467.18982	2.3
489.32190	2.2
539.33722	3.9
541.35144	2.7
543.36218	4.0
557.34705	19.2
559.35980	4.6
560.36511	6.5
561.36853	7.0
575.30426	14.9
593.32172	47.8
611.33319	48.8
612.33252	3.6
808.40948	10.7
809.41382	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	808.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	24.9
57.07074	2.8
59.04996	3.9
61.02915	5.2
63.84751	2.1
65.03928	4.6
67.05495	100.0
69.03420	9.4
69.07058	30.2
71.04973	10.1
73.02902	4.6
79.05042	3.3
79.05486	57.0
81.03410	45.5
81.07050	73.6
83.04966	20.0
83.05376	2.2
83.08611	26.3
85.02893	18.4
85.06538	5.2
88.01221	1.9
91.05470	60.9
92.05833	1.8
93.07035	54.4
95.04956	34.2
95.08601	34.0
95.09204	2.5
97.02882	8.6
97.06524	20.3
97.10157	13.1
98.07283	3.3
99.04506	2.0
99.08051	3.3
103.05431	2.0
103.81853	1.7
104.60018	2.0
105.07013	39.0
107.04935	15.1
107.08585	32.5
107.09262	3.0
109.02907	1.9
109.06509	9.6
109.10145	38.6
111.04427	2.6
111.08060	13.7
113.79581	2.0
115.05428	2.3
115.28268	1.9
116.04709	6.8
117.07008	15.1
119.08562	37.3
121.06494	4.5
121.10139	18.9
123.08047	6.4
123.11685	5.0
125.09620	17.0
127.03912	3.2
128.06226	2.2
129.05466	17.6
129.06987	10.5
131.08539	19.3
133.06480	4.2
133.10114	28.1
135.08061	6.5
135.11674	6.2
135.58458	2.1
137.09593	11.4
141.06999	3.4
142.07741	2.6
143.07018	2.9
143.08562	3.5
145.10117	16.2
147.08052	5.4
147.11671	21.6
149.09598	16.5
149.13242	6.6
151.11168	2.3
153.09042	2.4
155.10690	4.1
157.08623	5.7
157.10104	15.0
159.11679	7.7
161.09660	3.2
161.13226	2.6
163.11177	12.7
165.12775	3.7
171.06535	2.2
171.11665	2.6
173.09633	2.1
173.11742	16.7
173.13145	3.8
175.11189	14.4
177.12741	2.9
179.14323	2.1
184.07323	6.2
185.13261	2.6
189.11201	3.9
193.12212	34.3
195.13780	4.4
199.13324	7.8
209.11742	5.3
211.13252	39.6
227.12813	11.4
229.14345	26.4
229.19424	2.3
239.17996	2.6
247.20624	3.0
249.14815	2.9
257.18921	5.1
267.15842	23.1
269.17444	16.7
273.18481	4.7
275.19983	27.9
283.15356	9.0
285.16968	28.1
291.19495	5.2
293.21066	3.2
301.16428	34.4
311.35400	1.9
347.22040	3.0
349.23694	26.9
365.23169	3.9
367.24756	5.7
381.22644	2.0
383.24301	7.7
411.27383	4.1
421.25742	8.1
423.27350	7.1
439.26907	26.3
455.26291	12.8
461.28680	4.9
463.30859	2.1
477.28387	4.2
479.29831	11.1
495.29382	17.8
541.35028	12.3
557.34393	5.8
558.34344	2.3
559.36151	20.3
575.35431	19.9
576.35638	3.3
577.37158	4.5
593.36633	12.8
712.30261	4.2
796.68079	2.4
809.38013	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	808.556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	11.5
57.07072	5.3
65.03944	4.8
67.05493	100.0
69.07059	26.1
70.93465	5.4
79.05486	80.5
81.07053	73.7
83.04963	5.2
83.08627	11.3
91.05466	87.9
93.07034	85.3
95.04980	17.4
95.08598	66.2
97.06500	5.8
105.04520	5.2
105.07031	70.2
107.08585	34.6
109.06541	5.4
109.10184	24.5
111.17405	4.4
117.07010	18.3
119.08563	47.7
121.10118	28.6
123.11725	5.5
129.07016	11.6
131.08572	33.5
133.10121	41.5
135.11713	21.4
143.08569	6.0
145.10095	25.6
147.11684	33.1
149.13277	15.1
157.10147	9.4
159.11703	20.9
161.13290	22.6
171.01825	4.5
171.11714	10.1
173.13249	9.1
175.98366	5.8
185.13307	9.9
189.16408	6.0
199.14830	8.9
213.16446	5.6
240.65778	5.8
241.19511	19.1
257.19278	5.9
259.20615	47.0
261.22165	10.8
291.11334	5.1
333.24362	32.2
335.25714	52.8
593.45459	7.9
611.46619	35.6
746.50116	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.3
59.05019	0.6
61.02922	5.6
61.03190	0.4
67.05497	9.1
68.05862	0.4
69.03422	3.2
69.07079	0.9
69.23340	2.2
70.06592	0.4
71.05003	0.9
73.02911	4.0
79.05476	1.8
81.03397	2.8
81.07059	3.0
83.05024	1.2
83.08657	1.6
85.02890	5.8
91.03955	4.1
91.05467	2.5
93.07043	2.9
95.05003	1.2
95.08643	1.5
97.02886	5.4
97.06547	0.6
98.23429	0.8
99.04491	0.9
101.02422	1.6
105.07048	0.7
107.05001	0.5
107.08643	1.4
109.02906	1.0
109.10148	8.1
111.08115	0.8
115.04013	0.4
117.07069	0.8
119.08642	1.3
121.10173	0.7
123.04447	0.4
123.08137	0.5
125.09669	0.6
127.03927	2.1
129.05559	0.6
129.50943	0.3
131.08611	0.7
135.11740	1.3
137.09648	0.7
145.05006	0.6
145.10176	1.3
147.11749	0.3
155.10728	1.0
163.11269	1.6
173.11728	3.3
175.79854	0.4
184.07396	0.6
185.04152	1.8
191.10587	0.4
195.09975	1.0
201.03842	0.4
203.05206	0.5
209.11833	0.8
210.29108	0.4
211.13278	0.5
229.14449	1.6
243.08347	3.5
249.11028	0.8
249.15056	0.3
251.12671	0.6
283.15475	0.7
284.34122	0.4
301.08875	3.0
305.13681	0.6
315.10492	0.9
373.10696	1.8
385.18307	2.2
401.27625	0.4
411.19693	0.4
413.17807	13.6
413.23315	0.7
414.18024	0.6
417.45847	0.4
429.17377	0.9
431.24152	0.5
439.19489	0.8
455.19012	0.6
457.20596	1.3
467.18820	10.1
469.20352	1.1
470.21500	0.6
477.24377	0.5
497.19882	0.8
498.20859	0.8
533.26819	0.5
539.21179	1.1
581.29333	2.8
582.29987	0.7
595.27094	0.8
611.30298	0.6
639.29779	100.0
640.30157	8.7
665.31195	0.9
667.33124	3.1
679.33264	0.6
695.32532	2.9
705.38074	3.2
711.31207	0.7
809.40369	13.0
810.40533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.9
58.40326	0.8
61.02916	7.2
67.05498	10.7
67.89403	0.9
68.05828	1.1
69.03430	3.2
69.07059	1.2
71.47958	1.0
73.02898	4.9
73.70707	0.9
74.60913	0.9
79.05494	5.2
81.03418	7.1
81.07043	6.2
83.04985	1.9
83.08599	2.2
85.02899	7.7
90.70411	0.9
91.03955	3.6
91.05459	6.3
93.07034	5.3
95.04984	2.8
95.08596	2.0
97.02888	6.2
101.02377	2.0
105.07053	3.3
107.04960	1.2
107.08606	2.4
109.02855	1.7
109.10153	7.5
110.10518	1.1
119.08612	4.1
121.10163	1.7
127.03931	3.8
131.08588	1.5
133.10130	1.5
135.11705	2.3
145.10181	2.9
147.11711	1.3
149.09599	1.2
163.11215	5.4
173.11757	1.7
179.30142	1.0
184.07281	2.5
185.04216	1.5
193.12306	1.6
195.10066	1.2
203.05414	1.0
211.13271	1.6
212.13730	1.2
219.26082	1.2
227.12909	1.9
229.14302	2.0
243.08455	3.2
249.11029	5.7
275.20187	1.3
283.15424	1.4
285.16647	1.3
298.70688	1.0
301.08899	2.6
315.19397	1.2
347.14893	1.3
371.16443	1.1
373.11157	2.3
385.18463	2.3
413.17825	14.8
439.19684	1.1
467.18976	15.3
477.25018	2.2
485.17227	1.3
533.27106	2.7
544.69061	1.1
581.29236	2.3
584.65887	1.3
639.29773	100.0
640.29993	8.2
667.32953	2.2
695.32483	4.4
705.38104	14.6
706.38599	1.4
809.40930	70.9
810.40466	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	809.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.6
57.55265	0.7
59.05006	1.0
60.08157	0.9
60.53544	0.8
61.02924	6.4
67.05497	14.1
68.05845	1.4
69.03429	4.3
69.07064	5.6
69.28819	2.8
69.29229	1.3
70.06606	1.0
71.01346	1.1
71.04989	4.0
73.02914	4.7
79.05497	10.8
80.05832	1.3
81.03413	9.0
81.07047	11.5
82.03771	1.1
82.07408	0.8
83.04996	3.2
83.08611	3.8
85.02901	7.7
85.06564	1.4
86.09721	3.5
91.03955	4.5
91.05470	8.8
93.07032	9.2
94.07359	0.8
95.04960	4.6
95.08602	4.9
97.02866	5.8
97.06538	2.1
97.10191	2.8
99.04464	1.3
101.02394	2.8
105.07015	5.5
107.04987	3.0
107.08595	4.9
108.08911	1.2
109.06547	2.4
109.10130	4.3
111.08126	1.4
117.07050	3.1
119.07873	0.9
119.08578	4.3
120.08938	1.0
121.06550	0.9
121.10175	3.3
123.08091	1.7
125.00021	2.7
125.09615	2.1
127.03931	2.2
129.07056	1.1
131.08598	2.8
133.10091	3.6
135.08142	1.2
135.11729	3.0
145.10173	3.1
147.08031	0.8
147.11707	2.1
149.09634	1.8
157.10182	1.0
159.11688	1.4
162.80634	0.8
163.11226	3.5
165.12863	0.7
173.11783	1.0
175.11293	1.1
182.54486	0.7
184.07329	11.9
185.04279	0.9
185.07741	1.8
193.12326	2.0
209.11714	1.2
216.38872	0.8
219.28072	0.9
227.12828	1.9
228.43256	0.8
229.14479	2.9
243.08340	3.7
249.10873	1.1
253.75804	1.0
267.16049	2.1
268.16321	2.1
276.20572	1.9
283.15564	1.5
301.09128	2.8
315.10666	1.1
332.11765	0.8
332.39938	0.7
349.23962	1.1
350.24084	1.4
365.23071	1.3
373.11014	1.7
374.01605	0.8
385.18283	1.7
413.18024	1.8
421.25705	1.0
439.19730	1.6
448.28101	0.8
467.18753	7.4
469.21011	1.0
480.86301	0.9
485.23401	1.2
501.23151	1.0
581.29315	1.3
583.31183	4.0
657.31232	2.3
665.31659	3.6
679.35229	1.5
707.31958	0.9
725.39313	0.9
763.37128	1.9
809.42450	100.0
810.42871	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	809.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
59.91368	0.6
61.02928	5.0
67.05500	5.4
69.03104	0.5
69.03416	3.1
69.07071	2.7
70.66890	1.1
71.05003	1.1
71.33326	0.6
73.02898	3.3
79.05482	5.9
81.03414	6.1
81.07063	5.4
83.04995	1.5
83.08615	1.7
85.02899	5.7
87.04488	0.7
89.88647	0.5
91.03947	3.1
91.05473	6.1
93.07040	5.2
95.04967	3.8
95.08598	3.7
97.02882	4.6
97.06490	0.8
100.46136	0.6
101.02377	2.1
105.07031	4.6
107.05007	1.1
107.08605	2.1
109.02866	1.3
109.06566	1.3
109.10185	1.8
111.08071	0.7
117.06996	0.9
119.08598	2.3
121.10169	2.8
123.08056	0.8
127.03920	1.3
129.05496	0.8
129.06990	1.4
131.08592	2.4
133.10161	2.7
147.11708	1.3
149.09618	1.6
157.10188	0.8
161.09647	0.7
175.11284	1.8
185.04179	0.6
193.12158	2.8
203.05351	0.9
211.13368	0.9
243.08443	3.9
249.11082	0.8
268.16486	1.0
283.15125	2.9
285.17258	0.6
301.09061	0.8
313.17972	1.5
331.19019	2.6
339.17892	0.8
451.19531	2.0
467.19028	1.2
501.23050	13.3
502.24170	0.9
531.25836	2.1
549.26758	3.3
573.25262	1.6
639.29871	9.4
711.35217	3.0
740.35101	1.1
791.41760	9.0
809.42664	100.0
810.43127	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	809.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.5
58.67583	0.7
61.02929	5.8
61.47261	0.7
64.71922	0.7
67.05504	10.3
68.05849	0.9
69.03434	4.2
69.05576	5.2
69.07071	4.5
70.69271	0.6
71.05000	3.3
73.02908	5.6
79.05489	7.8
80.05824	0.7
81.03415	6.3
81.07056	9.6
83.04996	2.4
83.08628	2.9
85.02900	6.8
85.06547	0.7
86.09718	1.6
91.03957	4.7
91.05473	6.5
93.07031	9.0
93.07507	0.9
95.04987	3.4
95.08617	5.5
97.02889	5.2
97.06554	1.8
97.10204	2.7
99.04474	2.0
101.02388	2.2
105.07011	4.4
107.04951	1.9
107.08591	4.8
109.02881	0.9
109.06541	1.4
109.10186	2.8
110.10478	0.8
111.04423	0.7
111.08112	1.2
117.07002	1.7
119.08571	4.2
121.10175	3.2
123.08115	1.2
125.00063	1.9
125.09615	1.7
127.03922	1.8
129.07068	1.6
131.08586	3.0
133.10179	2.7
135.08136	0.9
135.11758	2.2
145.10101	1.7
147.08112	1.2
147.11739	1.7
149.09650	1.5
153.12672	0.7
157.10184	1.0
159.11821	1.2
163.11238	2.8
173.11845	0.8
175.11226	1.2
184.07335	7.1
185.04340	1.4
193.12352	2.3
209.11783	0.9
227.12822	1.1
229.14377	1.6
243.08385	3.8
244.07912	0.7
249.11012	0.7
267.16003	1.8
268.16452	1.2
275.20230	1.2
283.15372	1.8
301.09079	2.6
301.16605	1.3
321.73666	0.7
365.23166	2.7
373.11118	1.5
385.18491	1.7
402.50491	0.7
413.18185	1.4
421.26212	1.2
465.96448	1.0
467.18814	9.4
469.03607	0.7
469.20526	1.1
483.23108	0.9
485.23825	1.2
501.23080	1.8
523.35327	0.9
549.26733	1.3
581.29590	1.3
583.30853	6.0
640.30603	0.8
665.32587	1.4
725.38177	1.0
763.37128	0.9
809.42651	100.0
810.42670	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	810.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62640	0.2
57.07072	0.3
58.06622	0.5
59.07382	0.2
60.08158	6.2
67.05476	0.3
71.07366	3.5
71.08631	0.5
76.21638	0.1
79.05503	0.2
81.07044	0.3
85.10181	0.2
86.09696	29.9
87.04459	0.3
89.06018	1.0
91.05467	0.5
93.07059	0.2
95.08616	0.2
98.12187	0.2
98.98457	3.4
104.10727	2.0
105.07029	0.4
122.23000	0.2
124.99990	19.9
133.08585	0.7
184.07320	100.0
185.07620	1.1
195.22998	0.2
198.24120	0.2
228.65213	0.1
231.90543	0.2
237.40260	0.1
291.23117	0.2
376.14630	0.2
774.50665	5.1
775.50525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.0
57.03413	0.9
58.32170	0.7
58.49068	0.6
59.61180	0.7
61.02913	2.6
65.47630	0.6
67.05495	2.1
67.73133	0.6
69.03422	1.7
69.07063	0.9
69.76580	0.6
70.06586	2.0
73.02906	1.2
79.05499	2.3
80.05814	0.7
81.03420	2.1
81.07043	2.5
83.08604	0.7
85.02901	2.3
88.39184	0.6
91.03947	0.7
91.05491	2.5
93.07027	2.2
95.04953	1.2
95.08602	1.3
97.02892	1.4
97.52975	0.7
98.22619	1.3
101.02358	1.0
105.07034	1.8
107.08595	1.2
119.08595	1.5
131.00188	0.8
131.08566	1.1
184.07315	1.1
186.50508	0.6
193.12233	1.5
243.08472	2.0
267.09015	1.7
285.09949	1.2
301.08798	1.3
373.10858	0.9
385.18298	0.8
429.17081	1.0
443.18796	1.1
469.20508	4.8
481.15317	0.7
485.17404	1.2
639.29498	1.4
659.33032	1.0
667.33270	1.0
713.33258	4.3
714.32977	1.0
739.04211	0.8
765.39484	0.9
793.39478	1.2
811.38928	100.0
812.39655	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	811.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.3
57.03428	2.4
61.02924	6.7
67.05503	6.7
67.79651	1.2
69.03413	4.5
69.07059	2.0
71.04984	1.5
73.02907	5.5
79.05485	4.6
81.03423	6.6
81.07043	6.9
82.83187	1.0
83.04973	1.2
83.08627	1.4
84.97485	0.9
85.02888	6.8
87.50580	0.9
90.66544	1.2
91.03953	2.5
91.05479	5.6
91.73216	1.1
91.76440	0.9
93.07030	5.1
95.04974	2.5
95.08597	3.1
97.02892	6.0
97.10204	1.1
98.22710	3.5
99.04457	1.4
101.02357	3.7
105.07027	3.0
107.08578	3.5
109.10147	1.4
112.99167	1.3
119.08551	2.9
121.10135	2.5
127.03884	1.7
129.07013	1.2
131.08559	2.2
133.10103	1.6
135.11641	1.7
145.10123	2.3
147.11647	2.0
149.09612	2.8
178.71262	1.1
184.07399	1.7
190.76213	1.0
193.12294	1.8
241.03091	1.2
243.08365	5.2
261.10278	1.2
267.15726	1.2
278.97382	1.0
283.15161	3.7
293.05560	1.4
301.09091	2.4
333.20355	1.9
349.16873	1.2
401.15512	2.4
439.19284	2.6
469.20221	3.0
485.17706	1.1
501.17181	1.2
501.23123	13.2
502.23599	1.2
543.24463	1.2
544.19000	2.2
551.27985	6.9
557.19867	3.2
567.25525	1.2
628.28473	3.6
641.31219	8.9
657.28302	1.3
667.32831	9.0
683.29883	8.2
702.06018	1.3
709.34320	1.8
725.31421	25.1
726.31927	2.6
793.38428	2.5
811.43579	100.0
812.43671	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	811.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03375	1.2
61.02843	4.6
61.03175	0.6
62.58245	0.6
65.03860	0.6
67.05412	6.8
69.03341	2.8
69.06999	1.2
71.04928	1.1
73.02895	3.3
79.05405	1.6
81.03305	3.1
81.06952	2.3
83.04904	1.0
83.08520	1.5
85.02805	5.9
90.33186	0.5
91.03947	3.8
91.05379	2.2
93.06952	1.5
95.04872	1.5
95.08511	1.2
96.08031	1.6
97.02787	3.9
97.06467	0.7
98.22685	1.1
99.04376	1.1
101.02280	1.9
105.06923	1.3
107.04872	0.7
107.08463	0.9
109.02791	0.8
109.10155	6.3
111.07973	1.0
119.08521	1.2
127.03783	2.0
131.08479	0.8
133.10014	0.7
137.09521	0.6
147.11568	0.9
155.10603	0.7
157.84378	0.5
173.11607	2.0
185.04102	1.9
192.75705	0.5
193.12128	1.4
199.05524	0.5
201.03561	0.6
211.13150	0.7
211.43939	0.5
229.14149	1.6
243.08379	3.4
251.12495	2.4
281.06595	0.5
301.08963	3.2
307.15070	0.8
315.10364	1.0
371.16742	0.7
373.11090	1.5
385.18130	2.7
395.16470	0.8
413.17780	11.6
414.17935	0.7
425.52664	0.6
441.20984	0.7
443.19049	1.2
469.20380	12.0
485.19962	1.4
499.21521	0.8
528.21967	1.7
530.43958	0.7
541.22742	2.2
567.31195	0.7
583.27502	0.8
597.28741	0.7
612.31171	1.6
641.31342	100.0
642.31805	5.6
667.32709	0.9
669.34589	3.7
697.33923	2.3
713.33862	0.6
721.37891	1.1
725.31219	1.9
743.34290	0.7
765.42310	0.6
788.89557	0.6
811.41644	21.3
812.00494	0.6
812.40631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.5
57.07073	2.0
61.02919	8.3
61.80034	0.9
66.15165	1.0
67.05495	9.9
69.03410	5.1
69.07063	1.8
69.61629	1.0
71.01350	1.4
71.04991	1.8
73.02908	7.0
73.43288	1.1
79.05477	5.5
81.03410	7.1
81.07047	6.3
83.04966	2.1
83.08635	3.8
84.01866	1.7
85.02892	11.8
89.34109	1.0
91.03947	7.4
91.05466	5.8
93.07033	5.3
95.01086	1.2
95.04979	3.1
95.08584	2.3
97.02849	6.8
97.06553	0.9
99.04465	2.1
101.02406	3.8
105.07051	3.5
107.04939	1.5
107.08607	4.0
109.02848	1.7
109.06506	1.3
109.10149	8.6
111.08126	1.6
115.03936	1.6
119.08618	2.5
121.10127	2.8
123.04167	1.5
125.09621	1.5
127.03923	3.7
129.05463	2.2
129.07025	1.6
133.10051	2.3
135.11639	1.9
145.10199	2.2
147.11691	2.1
156.04074	1.1
157.10115	1.0
159.11655	1.1
162.21608	1.0
163.11186	1.3
173.11827	3.0
181.04799	1.9
183.60197	1.1
185.04184	7.9
193.12326	1.5
199.05754	1.3
201.03726	3.9
223.13260	1.6
228.63968	1.0
229.14372	1.8
233.08176	1.2
243.08383	12.6
251.12706	1.5
281.13834	1.5
284.70178	1.3
301.08896	22.3
307.15359	1.1
313.08914	2.2
315.10529	4.4
327.10785	1.6
329.11697	1.3
331.18878	1.4
341.12125	2.1
343.13940	1.6
357.15414	2.6
369.15347	1.9
373.10925	7.4
383.16876	2.8
385.18341	13.4
387.12857	1.9
401.18088	2.3
413.17798	11.5
429.17566	2.5
439.19510	3.9
441.17194	1.4
443.19101	2.2
451.19110	1.5
457.20444	2.5
465.20773	1.3
467.18857	1.5
469.20380	6.0
473.19574	2.4
481.20636	6.5
485.19940	5.1
499.21628	1.3
501.23169	4.1
511.21585	1.7
525.23053	1.3
527.20905	6.4
541.22339	1.0
549.26825	2.3
551.28497	3.2
553.22888	1.8
557.22125	2.0
567.25610	1.2
596.31873	1.3
599.29724	2.1
609.32874	7.0
611.30182	5.6
623.30823	2.9
639.29407	1.8
641.31366	37.5
642.31763	2.0
657.30774	1.8
667.32684	4.4
683.32251	4.8
721.37329	28.6
722.37262	2.2
725.33362	27.4
726.33215	1.5
747.39453	1.4
793.39935	2.9
811.41785	100.0
812.41620	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	811.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
61.02937	2.8
63.65827	0.8
67.05506	7.1
69.03441	3.5
69.07088	1.5
70.06597	0.9
71.04993	1.6
72.54311	0.7
73.02931	3.1
74.83091	0.7
79.05511	3.6
81.03432	3.4
81.07052	4.0
82.07389	0.9
83.04987	1.1
83.08640	1.3
85.02897	4.6
86.09726	2.3
91.03947	1.9
91.05511	3.5
93.07073	2.9
95.04989	2.2
95.08640	1.7
96.08151	1.8
97.02911	3.5
101.02413	1.6
105.07056	3.0
107.04980	0.8
107.08612	1.7
109.02953	1.5
109.10143	3.7
110.85902	0.8
117.11116	0.9
119.08612	1.7
121.10178	1.6
125.00019	1.6
127.03934	1.3
147.11736	0.9
157.10257	0.8
173.11809	0.9
184.07306	5.0
185.04204	0.9
185.07671	0.9
193.12314	1.0
211.13206	1.0
235.96742	0.8
243.08600	2.1
251.12585	1.1
267.09143	1.0
285.10239	1.2
301.09003	1.8
333.17307	1.0
337.78448	0.8
373.11145	1.6
385.18658	1.6
413.17953	5.0
439.19861	0.9
467.19394	1.3
469.20264	4.7
501.23630	2.1
517.20740	1.1
549.26459	1.4
558.80640	0.9
637.31348	1.1
639.29987	1.2
641.31281	30.5
642.32397	1.7
667.32776	1.1
669.32355	1.4
679.32336	1.0
697.34296	1.8
707.40033	3.0
713.33936	2.9
725.34650	3.4
765.40991	2.9
775.41986	1.3
811.42456	100.0
812.42993	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	811.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
61.02921	5.5
67.05496	5.0
69.03432	4.4
69.07082	3.5
71.05009	2.6
72.52341	0.9
73.02930	4.4
79.05497	4.5
81.03421	5.6
81.07049	3.8
83.04990	0.9
83.08626	1.4
85.02898	8.7
86.09707	1.4
91.03963	4.2
91.05475	4.9
93.07069	3.1
95.04973	1.9
95.08640	2.6
97.02904	6.2
97.06548	1.5
97.10188	1.1
98.23428	2.2
99.04453	1.5
101.02422	1.9
105.07052	3.2
107.08610	1.9
109.02940	0.8
109.10181	1.9
111.08033	1.1
119.08607	2.4
121.10168	1.3
125.00018	1.2
125.09721	0.7
127.03926	2.1
129.05536	0.9
129.07001	1.3
131.08588	2.0
133.10139	1.0
135.11725	1.3
145.10144	1.1
147.11674	1.2
149.09564	1.1
153.01758	0.9
157.10143	0.9
163.11162	1.0
175.11212	1.2
184.07419	3.0
185.04318	3.0
201.03810	1.6
203.05418	1.3
211.13379	0.9
241.59264	0.8
243.08366	5.1
251.12628	1.9
301.08893	6.8
315.10577	2.1
349.20038	1.9
365.23181	2.4
373.11426	2.3
375.21793	1.1
383.16937	1.6
385.18488	3.7
429.17459	1.3
439.19189	1.4
443.19110	1.2
469.20407	12.9
485.20258	2.6
499.21545	1.2
528.22241	0.9
541.22833	2.3
567.27875	3.6
583.31360	5.5
637.21655	0.9
639.30396	3.0
641.31500	1.3
653.31720	1.2
667.33252	3.3
709.35431	1.9
793.39532	2.6
811.43506	100.0
812.44269	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	811.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.7
61.02919	5.9
65.03962	0.5
67.05502	5.5
69.03425	4.3
69.07076	3.5
69.76526	1.5
70.02115	0.4
70.06596	0.7
71.01392	0.8
71.05001	1.7
73.02914	4.2
73.74494	0.5
79.05488	5.5
81.03411	6.0
81.07047	4.9
83.05007	1.7
83.08613	2.8
85.02898	6.2
85.06541	1.0
87.04475	0.9
87.36371	0.5
91.03950	3.5
91.05466	4.5
92.05855	0.6
93.07034	5.2
95.04983	1.8
95.08630	2.1
97.02897	5.6
97.06541	1.1
97.10199	2.3
98.22741	1.1
99.04473	1.2
101.02406	1.7
103.03964	0.7
105.07023	2.8
107.04966	0.9
107.08575	2.9
109.02900	1.1
109.06499	0.9
109.10146	1.3
111.08112	0.9
117.07057	0.9
119.08559	2.7
121.10178	2.1
123.08045	1.3
125.09621	2.7
127.03974	1.3
129.07001	0.8
131.08598	2.0
133.06494	0.5
133.10176	2.1
134.34828	0.6
135.07997	0.7
135.11752	0.7
145.10138	0.8
147.11737	1.2
149.09682	1.4
157.10155	0.9
163.11220	1.1
175.11211	1.0
189.11237	0.9
193.12354	1.7
201.03792	0.6
203.05286	0.7
211.13333	0.9
225.14841	0.6
243.08403	5.1
251.12521	0.6
267.12292	1.1
267.15884	0.8
283.15320	2.3
301.08850	0.8
333.20355	2.8
338.91107	0.6
373.11218	0.7
385.18881	0.7
389.22961	1.0
439.19122	0.8
441.17059	1.0
469.20374	7.2
470.21060	0.8
481.20654	0.7
485.20197	2.2
501.22961	9.0
551.28241	7.4
641.31335	2.8
642.32941	0.7
645.98145	0.6
667.32275	0.9
713.33972	0.9
725.33441	0.9
765.40320	0.9
793.39685	1.0
811.43420	100.0
812.43701	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	811.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
61.02927	6.5
67.05501	4.7
69.03420	3.2
69.07056	3.0
70.67801	0.7
71.04991	3.2
73.02916	3.6
79.05497	4.5
81.03416	5.1
81.07044	5.8
83.08626	1.7
85.02905	7.2
91.03927	3.4
91.05464	3.3
93.07046	3.6
95.04958	3.0
95.08589	1.5
97.02881	5.6
97.06503	1.2
97.10142	0.8
99.04424	1.0
101.02364	2.1
105.07053	3.1
107.08575	2.1
109.02887	1.3
109.06559	1.0
109.10136	1.4
109.62090	0.6
117.07007	0.7
118.32392	0.7
119.02402	0.7
119.08591	1.4
121.10156	1.6
127.03908	1.2
129.06972	1.4
131.08595	1.7
133.10118	1.5
145.10155	1.0
147.11690	2.0
147.64220	0.9
150.11739	0.7
157.10194	0.9
163.11285	0.7
175.11169	1.2
184.07373	2.4
185.04195	1.2
192.26788	0.7
193.12222	2.5
214.26396	0.7
243.08395	2.8
251.12611	1.4
301.09094	1.9
353.49426	0.7
365.23083	3.8
385.18149	1.5
469.20471	11.4
513.23108	1.1
583.30627	6.3
667.32928	1.0
713.32648	1.2
714.32666	0.9
765.39856	1.4
793.39374	1.4
811.44312	100.0
812.44366	8.9
823.69269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
59.05014	1.2
59.98737	0.9
61.02928	9.2
67.05509	8.0
69.03431	6.1
69.07069	3.0
71.05006	2.7
73.02916	5.0
79.05479	8.4
81.03425	7.4
81.07054	9.8
83.04991	2.4
83.08629	1.5
85.02899	8.2
87.04491	1.5
91.03974	3.6
91.05466	7.5
93.07035	7.0
95.05002	3.1
95.08637	3.2
97.02894	8.1
97.06544	1.0
98.23456	1.8
99.04523	1.1
101.02424	2.2
105.07048	4.6
107.04985	1.1
107.05669	1.0
107.08626	3.8
108.97342	1.0
109.02934	1.3
109.10188	3.3
111.08083	1.1
115.64404	0.8
119.08628	3.3
121.10194	2.7
127.03927	3.2
129.07013	1.8
131.08617	1.7
133.10136	2.0
147.08072	1.1
147.11736	3.1
148.57318	0.9
149.09663	2.2
155.10780	0.9
155.37183	0.8
157.10193	2.5
163.11320	0.9
171.11732	2.1
175.11192	1.0
185.04312	1.5
193.12323	3.3
203.05347	0.9
243.08418	5.5
247.13271	2.0
267.15991	1.3
268.35828	1.0
283.15088	8.3
299.19656	0.9
301.09149	1.8
309.16995	1.1
315.10687	1.2
333.20319	1.4
339.18042	1.3
373.11182	1.1
385.18564	1.5
399.20193	1.0
413.18097	3.1
465.21011	18.3
469.20532	2.5
499.21585	1.1
501.23050	25.3
502.23859	2.2
505.24088	1.4
529.22748	1.7
545.07745	1.0
545.22839	1.2
545.30920	1.5
551.28528	3.0
563.31415	1.4
573.25354	2.1
641.31140	14.1
642.32343	1.5
651.31964	1.2
693.35089	2.3
695.36432	2.6
707.39825	13.2
713.36560	4.5
725.37109	100.0
726.37604	8.5
765.41644	3.1
775.42371	3.7
793.43127	15.6
811.43738	57.1
812.43359	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	811.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
59.05011	0.7
61.02920	6.6
61.03204	0.7
67.05503	5.3
69.03426	4.6
69.05016	3.4
69.05422	1.5
69.07056	3.1
71.01344	0.8
71.04996	1.6
73.02907	3.9
77.08878	0.6
79.05495	5.7
81.03400	5.5
81.07052	7.0
82.68257	0.5
83.04990	1.5
83.08633	1.5
85.02898	5.5
85.06535	0.7
86.09720	0.8
91.03463	0.6
91.03923	3.3
91.05475	5.7
93.07040	4.0
95.04957	3.1
95.08608	3.2
97.02887	6.0
97.06544	1.2
98.23498	1.2
99.04482	1.0
101.02399	2.3
105.07029	3.4
107.04968	0.8
107.08620	2.4
109.02900	1.2
109.06528	0.9
109.10194	1.5
111.08121	0.9
112.86870	0.7
119.08550	3.0
121.06536	0.9
121.10168	3.3
125.09689	0.9
127.03944	2.1
129.06989	1.2
131.08607	2.6
133.10179	2.6
135.11725	1.1
145.10141	0.9
147.11700	1.8
149.09674	2.0
157.10182	1.5
162.87997	0.5
175.11266	1.1
184.07419	1.2
185.04272	0.9
193.12286	1.9
212.37140	0.7
243.08443	4.3
267.16034	0.8
283.15076	4.5
301.08801	0.8
324.22226	0.7
333.20486	2.1
389.22958	1.3
439.19370	1.3
445.25290	0.7
453.20831	0.8
469.20709	1.6
501.22986	13.2
501.29617	1.0
502.23407	0.9
551.28387	8.0
552.27997	0.9
641.31537	2.0
684.04242	0.7
721.36444	1.1
811.44415	100.0
812.44690	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	813.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.1
57.66798	0.7
61.02921	6.1
67.05505	4.1
68.82938	0.6
69.03429	3.5
69.07061	1.7
69.16300	3.9
71.04978	1.4
73.02908	4.9
75.42384	0.6
79.05476	4.5
81.03425	4.4
81.07053	5.8
83.05003	1.2
83.08582	1.7
85.02903	6.6
91.03955	3.6
91.05480	4.8
93.07050	2.7
95.04948	2.2
95.08598	2.0
97.02876	6.3
101.02356	2.6
103.03902	0.7
103.20501	0.6
105.07008	3.7
107.04939	1.6
107.08601	1.3
109.06496	1.1
109.10164	1.7
111.04436	0.9
111.08046	0.9
117.06958	1.0
119.08578	2.7
121.06506	0.8
121.10128	1.9
123.08059	1.4
125.09572	0.8
127.03908	1.8
129.07024	1.0
131.08539	1.7
133.10107	1.2
145.10086	1.0
147.08035	1.0
147.11676	0.8
149.09586	1.5
157.10060	0.8
163.11177	1.3
175.11131	0.7
185.04155	1.1
193.12244	1.4
211.13249	1.0
243.08342	2.7
249.11108	0.8
251.12491	1.6
273.18396	0.7
323.71628	0.6
331.18729	1.0
414.00287	0.7
439.19492	0.8
449.56061	0.7
469.20380	8.5
471.21414	1.0
549.26813	4.5
551.28070	0.9
585.24194	3.9
643.31964	1.3
668.32990	1.6
669.33521	4.1
685.30566	1.8
697.33411	0.7
723.36292	1.7
727.33514	4.8
767.38947	0.9
777.40515	4.8
795.37994	0.9
812.43036	1.4
813.37469	100.0
814.37939	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	813.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.2
61.02916	9.8
67.05499	12.9
69.03418	6.0
69.07076	4.3
70.06590	1.7
71.01344	1.6
71.04967	2.0
71.41502	1.5
73.02916	8.2
73.78527	1.3
75.74916	1.4
79.05494	7.5
81.03426	5.7
81.07049	9.4
83.04980	1.8
83.08628	3.0
85.02907	10.7
85.19675	1.2
90.53646	1.1
91.03947	6.2
91.05477	5.9
93.07032	7.4
95.04977	2.6
95.08636	2.8
95.83887	1.1
97.02891	9.6
99.04473	1.7
101.02403	4.0
102.82678	1.2
105.07038	4.8
107.04980	1.4
107.08592	5.9
109.02839	1.3
109.06514	1.3
109.10145	6.3
111.08107	1.2
119.08595	2.5
121.10146	3.2
127.03944	4.1
131.08559	1.8
133.10136	2.9
135.11684	2.2
139.11273	1.3
145.10138	1.4
163.11157	2.3
171.56480	1.1
173.11792	2.1
184.07440	1.8
185.04228	3.5
193.12195	2.2
201.03836	2.9
229.14430	1.3
243.08421	6.7
251.12616	1.6
269.13632	3.0
301.08856	7.3
309.16861	1.7
315.10483	2.4
333.20319	2.5
373.11163	4.3
385.18344	4.8
397.72397	1.3
411.87411	1.4
413.17780	15.0
429.17325	1.4
439.19537	7.5
443.19232	4.9
457.20084	1.7
469.20728	4.7
470.69916	1.4
473.19876	2.3
481.20569	3.7
485.20126	1.7
487.21603	10.3
503.20807	1.4
551.28564	6.8
559.23615	4.7
584.31763	1.4
625.33038	2.2
641.31818	3.0
643.32452	2.9
659.32544	2.6
685.34143	11.1
686.34668	1.8
723.39124	74.3
724.39630	7.2
727.34973	17.1
738.99957	1.3
749.40570	10.7
767.41577	2.9
795.40723	5.5
813.42194	100.0
814.42944	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	813.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
61.02914	4.8
66.80610	0.7
67.05499	3.8
69.03419	3.5
69.07066	2.3
71.04983	1.2
73.02911	3.7
79.05486	3.7
81.03403	4.0
81.07063	3.6
83.04967	1.9
83.08621	1.5
85.02900	7.0
87.04477	0.8
91.03944	4.1
91.05486	2.7
93.07053	1.7
94.24934	0.6
95.04965	1.9
95.08624	1.5
97.02877	6.6
97.10152	1.1
98.22709	1.8
99.04434	1.0
101.02380	2.0
103.03939	0.9
105.07042	1.9
107.08604	1.7
109.10150	2.0
119.08598	1.8
121.10136	1.3
125.09604	0.9
127.03915	1.9
129.05479	2.7
133.10110	0.8
145.04984	0.7
145.10194	0.9
147.11650	1.1
148.53050	0.8
150.42047	0.7
157.04869	0.7
157.10220	0.9
175.11264	0.9
181.04739	1.4
185.04202	7.0
193.12297	1.8
199.05861	1.0
201.03796	2.3
232.62595	0.8
241.06895	1.0
243.08350	4.0
251.12617	2.8
255.09077	0.8
259.07703	0.8
277.14230	0.9
301.08899	20.0
307.15375	1.3
313.08701	0.9
315.10587	4.1
317.08353	0.9
329.12476	0.9
340.76813	0.8
341.12088	1.2
342.53323	0.7
344.39148	0.7
349.16174	1.4
351.21484	4.2
355.13736	1.5
357.15350	1.3
369.15280	1.7
371.17004	1.1
373.11020	6.1
383.16776	3.2
385.18277	10.6
387.12567	1.7
391.24518	1.5
395.16837	1.6
413.18161	1.1
415.15692	1.1
425.18274	0.9
429.17197	1.4
433.25565	1.2
439.19379	1.6
441.21207	1.1
443.18970	4.9
444.19952	1.5
449.25439	1.8
457.20789	1.1
469.20407	10.2
470.21329	0.9
471.21173	1.1
481.20343	2.5
483.22064	1.0
485.19788	3.3
495.25879	1.5
499.21140	3.4
527.28424	1.1
528.21838	3.2
533.34650	1.6
541.22369	12.0
555.24139	1.1
567.27710	1.4
569.29382	7.9
576.67657	0.7
583.30841	2.1
585.29297	1.1
610.29248	0.9
611.30511	3.7
612.30829	3.2
625.31775	1.1
641.31445	9.6
653.31470	0.9
655.32617	1.4
669.34442	1.8
709.34937	0.9
711.38971	1.9
715.33405	0.9
795.41229	3.8
813.42096	100.0
814.42310	8.9
826.13055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.5
57.07067	1.2
61.02922	10.1
67.05498	10.3
69.03421	7.0
69.07062	4.4
70.06595	4.2
70.50115	2.0
71.01349	1.3
71.05005	3.3
73.02907	7.9
79.05488	8.2
79.70946	1.0
81.03429	6.4
81.07044	9.1
83.04968	1.5
83.08620	3.6
85.02904	12.3
86.13958	1.2
91.03947	7.7
91.05467	6.3
93.07046	7.7
95.04964	4.3
95.08598	3.8
97.02895	8.3
97.06504	1.5
97.10166	2.1
99.04488	2.1
100.32446	1.2
101.02387	4.1
103.39574	1.2
105.07040	3.5
107.04942	1.6
107.08586	3.7
109.02837	1.5
109.10143	7.0
117.06998	1.2
119.08600	2.6
121.10135	3.5
127.03920	3.2
131.08572	2.7
132.29695	1.0
133.10158	1.4
135.11681	2.7
149.09709	1.2
173.11761	2.3
181.04799	1.2
185.04254	3.4
193.12234	1.6
243.08363	7.2
251.12653	2.6
269.13675	3.8
301.08862	6.2
309.16983	1.7
333.20316	2.8
347.29999	1.1
367.17499	3.0
371.16800	1.2
373.11166	4.3
385.18375	5.8
403.45444	1.2
413.17816	12.9
414.32764	1.3
429.17554	1.8
439.19370	6.3
443.18793	5.1
451.26520	2.0
453.20847	2.1
469.20419	3.4
471.22272	1.7
473.19748	1.4
481.20700	3.2
487.21429	10.0
497.27179	1.7
551.28320	7.8
552.28174	1.3
559.23767	3.8
615.29462	1.5
625.31012	1.3
629.31079	1.7
641.31946	1.6
642.32178	1.1
643.32147	3.1
661.23639	1.3
683.31818	1.3
685.33844	8.1
699.48877	1.3
723.39117	72.2
724.39459	6.1
724.79858	1.4
727.34985	17.7
749.40979	10.0
767.40814	1.3
795.40997	5.5
813.42303	100.0
814.42920	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	816.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
69.03418	5.4
70.15335	1.3
70.15665	1.9
71.04968	1.4
73.02886	2.5
79.05497	1.2
81.02970	1.0
81.03416	12.9
84.58198	1.0
85.02885	6.6
85.42963	0.9
97.02896	2.7
98.22755	1.2
99.04443	2.7
101.75058	1.0
103.05489	1.3
109.02860	9.4
127.03899	7.1
131.04890	1.3
133.02794	1.6
145.02847	2.0
145.04913	1.0
147.04428	1.4
153.01834	2.2
157.02855	1.7
157.69200	1.1
161.02316	3.6
163.03909	3.4
163.83383	1.1
173.02325	2.3
175.03860	2.1
185.02304	1.5
187.03870	6.8
189.01808	16.2
191.03386	3.2
201.01891	3.1
203.03378	4.5
205.01414	1.6
207.02863	3.1
213.01807	5.3
215.03346	5.8
217.01297	15.7
218.02080	1.5
219.02821	2.2
229.01233	4.0
231.02859	25.0
233.00804	2.8
235.02406	3.2
241.01343	4.3
245.00821	22.0
247.02293	8.7
257.00803	4.9
259.02365	42.5
260.02704	1.9
261.00256	4.8
262.01044	1.5
263.01819	13.0
273.00238	3.8
274.00922	1.2
275.01761	9.8
276.02466	1.7
277.03403	100.0
278.03729	2.0
285.00266	4.6
285.03174	1.0
288.99759	8.2
289.03006	1.7
290.00592	1.1
291.01324	35.2
303.01321	68.1
304.01587	2.5
309.03778	1.2
313.03333	1.9
315.01337	1.6
316.99271	22.7
321.02365	2.7
328.99319	5.0
335.00275	38.6
339.05014	1.5
345.02075	1.5
355.04401	3.2
357.06223	1.7
359.03677	2.3
367.04395	3.9
369.02280	3.0
383.04022	5.0
385.05548	3.0
393.02127	2.7
401.04916	2.7
411.03473	4.5
429.04211	5.7
438.83533	1.0
461.03296	7.2
479.04642	14.4
763.03833	2.0
776.94574	1.1
781.04669	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	816.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.56499	1.1
61.87944	1.0
69.03423	13.6
71.01338	6.8
71.04975	1.7
73.02911	1.2
78.78764	0.9
81.03408	13.5
85.02919	5.9
97.02885	4.4
99.04455	3.8
101.02413	2.2
103.05439	1.4
103.24473	1.0
105.03391	1.0
109.02866	10.8
119.04908	1.6
127.03897	7.0
147.04382	1.9
153.01817	3.0
161.02309	2.2
163.03871	1.6
173.02356	1.3
175.03894	2.9
177.01909	1.2
185.02373	2.3
187.03880	7.2
189.01814	10.0
191.03322	1.2
201.01836	2.9
203.03442	4.0
207.02864	1.7
213.01826	5.7
215.03395	6.4
217.01323	8.1
219.02763	1.4
225.21019	1.3
229.01329	3.1
231.02878	28.1
233.00847	2.4
241.01283	5.3
245.00778	10.9
247.02351	5.1
257.00781	4.6
259.02347	46.4
260.02707	2.0
261.00290	3.5
262.00967	1.4
263.01831	6.2
273.00232	1.5
275.01877	6.3
277.03403	100.0
278.03729	3.1
285.00296	3.6
288.99765	4.3
289.03265	2.7
291.01291	33.9
301.97397	1.0
303.01312	66.9
304.01642	2.5
311.04996	1.0
313.03357	2.7
315.01248	2.8
316.99261	15.7
317.99692	1.3
321.02527	1.9
328.99399	1.2
335.00244	10.3
341.02979	1.2
345.02319	3.9
377.01456	1.2
385.05276	1.1
387.03284	4.7
393.02380	1.4
411.03375	1.9
461.03497	15.3
479.04550	22.9
480.05045	1.2
578.00110	1.2
706.41669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65447	0.8
71.75145	0.9
84.94283	0.7
102.09244	1.0
126.56419	0.8
161.06047	0.9
184.05002	4.0
185.05742	2.0
189.05190	10.2
201.05286	1.5
202.05971	4.3
205.79791	0.8
215.06746	9.2
216.07590	9.3
217.08409	1.1
232.07166	2.4
264.53745	0.9
392.39816	0.8
395.11011	1.8
399.14240	4.5
408.53027	1.0
409.12561	4.6
410.13318	4.7
413.15744	14.7
413.20984	1.4
423.14154	19.2
423.19885	1.1
424.14862	1.3
429.15512	1.0
437.15839	1.3
505.52536	1.0
620.22339	7.7
621.22968	1.0
687.17963	1.0
817.30243	100.0
818.30408	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	818.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53253	0.4
67.01833	1.2
69.03418	3.3
69.43385	1.4
69.43794	0.8
71.04958	1.0
81.03410	10.7
85.02869	1.1
97.02847	2.1
99.04410	1.8
103.05436	1.0
104.16949	0.5
105.42331	0.5
109.02869	8.5
127.03899	6.8
131.04877	0.9
133.02844	0.8
147.04407	1.4
153.01834	4.7
154.02151	0.6
157.02800	1.4
161.02290	0.9
163.03894	1.3
173.02309	1.7
175.03853	2.2
179.03444	0.5
185.02298	1.6
187.03870	5.5
189.01840	2.7
191.03366	2.1
201.01811	2.6
203.03403	4.3
209.93890	0.5
213.01793	4.9
215.03419	4.4
217.01297	5.6
218.01979	0.6
219.02879	2.4
229.01312	2.6
231.02849	23.1
232.03340	0.9
235.02289	4.7
241.01321	3.5
245.00786	5.3
247.02420	5.2
253.35117	0.5
257.00800	6.0
259.02359	36.7
260.02829	0.9
263.01855	2.4
271.02209	0.5
273.00308	3.3
274.56836	0.5
275.01819	6.9
276.02448	0.7
277.03406	92.9
278.03693	3.1
285.00348	4.2
286.01154	0.7
291.01291	1.4
300.99777	1.3
303.01321	100.0
304.01733	2.9
316.99091	0.6
319.00702	4.0
319.85825	0.5
321.02368	2.2
337.01874	9.7
379.02924	2.1
427.02646	0.7
436.40408	0.6
445.04016	1.8
463.04999	5.0
481.06137	7.5
503.14264	0.5
783.06262	0.8
811.69940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94124	0.1
68.99766	0.2
69.03421	1.0
73.02890	0.1
79.01847	5.8
81.03419	0.6
85.02881	0.2
87.00797	0.1
97.02882	2.4
103.05454	0.3
107.01305	1.5
107.43287	0.1
109.02858	0.3
115.03928	0.5
123.00777	0.2
125.02340	3.9
127.03892	0.5
128.17313	0.1
131.04886	0.1
143.03381	7.2
147.04428	0.2
153.01811	100.0
153.02878	5.4
154.02135	1.7
157.02881	0.2
161.04445	0.2
171.02858	1.1
175.03984	0.6
178.39583	0.1
185.02274	0.2
187.03925	1.0
201.01811	0.2
203.03339	1.0
213.01822	1.0
215.03384	1.0
219.02939	0.2
229.01312	0.5
231.02861	4.7
232.03232	0.1
241.01277	0.6
247.02324	0.5
257.00797	0.5
259.02359	6.9
260.02921	0.4
261.04001	0.2
275.01877	0.7
276.02548	0.2
277.03403	21.2
278.03806	0.7
285.00348	0.2
285.06006	1.3
296.66568	0.1
303.01318	6.5
304.01752	0.3
305.02304	0.1
313.05460	2.1
321.02301	0.5
331.02527	0.2
331.06540	3.6
372.11835	0.1
427.02805	0.4
445.04047	0.1
453.00760	0.3
465.06747	0.7
471.01660	0.2
483.07648	2.4
615.05029	0.1
633.06934	0.2
785.07599	0.2
853.27240	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	820.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.1
69.03416	1.1
77.17416	0.1
79.01842	6.4
79.47387	0.1
81.03403	1.4
85.02892	0.2
93.99382	0.1
97.02877	2.7
103.05459	0.2
107.01308	1.9
109.02854	0.5
113.02362	0.2
115.03927	0.5
123.00800	0.2
125.01399	0.3
125.02325	5.0
127.03907	0.5
131.04903	0.2
143.03378	8.6
147.04367	0.3
153.01805	100.0
153.02875	6.4
154.02135	1.5
157.02841	0.3
171.02849	1.0
173.02409	0.2
175.03923	0.4
185.02211	0.3
187.03883	1.2
191.03468	0.2
201.01808	0.3
203.03372	1.0
213.01796	0.9
215.03357	0.9
219.02950	0.2
229.01270	0.5
231.02850	5.4
241.01326	1.0
247.02315	0.7
249.03909	0.2
257.00751	0.5
259.02350	8.6
260.02753	0.4
275.01883	1.0
276.02618	0.4
277.03387	28.9
278.03668	0.9
285.00250	0.4
285.06042	1.5
295.04477	0.2
303.01294	10.1
304.01563	0.5
313.05463	2.1
318.16278	0.2
321.02298	1.0
331.06567	3.0
394.51462	0.1
427.02945	0.3
441.44443	0.1
465.06516	1.1
483.07541	1.7
615.05786	0.2
633.06726	0.4
785.07123	0.2
803.08429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	22.3
59.04992	4.5
61.02906	4.3
65.03908	6.3
67.05496	83.4
69.03407	10.7
69.06339	14.7
69.07058	25.0
71.04974	8.0
73.02893	3.8
73.08833	2.3
73.82764	2.4
79.05482	97.2
79.05948	4.6
81.03409	98.3
81.07046	66.1
83.04958	20.0
83.08598	34.3
85.02888	9.5
85.06556	3.7
91.05467	100.0
93.07029	49.8
95.04354	3.1
95.04958	47.5
95.08595	28.6
97.02888	6.1
97.06509	21.1
97.10157	28.5
99.00801	2.6
103.05436	3.8
105.04488	5.0
105.07013	52.9
107.04948	21.6
107.08579	47.9
109.02855	4.8
109.06506	26.3
109.10152	34.2
111.04450	5.7
111.08067	10.6
113.05994	3.9
115.05412	10.0
117.06994	23.9
119.04925	2.7
119.07740	4.4
119.08565	68.3
121.06474	10.3
121.10125	18.8
123.04422	4.9
123.08047	14.5
123.11710	2.9
125.09601	20.5
128.06201	5.3
129.06995	16.5
130.07802	3.3
131.04901	2.7
131.08560	30.3
133.06470	6.8
133.10124	31.1
134.23009	2.1
135.08034	24.0
135.11668	10.2
137.09593	8.6
138.34709	2.3
141.07051	4.6
142.07730	4.7
143.08548	13.3
145.06458	8.5
145.10098	22.7
147.08055	19.3
147.11632	19.4
149.09561	12.3
149.13245	3.0
151.11150	5.4
153.09055	3.0
155.08539	6.6
157.10069	17.7
159.08069	8.3
159.11684	10.2
161.09578	8.0
163.07529	4.2
163.11127	12.7
165.09044	2.4
165.12698	3.2
169.10123	6.7
171.07941	2.7
171.11708	4.3
173.09630	23.1
173.11031	2.8
173.11772	4.9
173.13225	3.7
175.11105	12.7
181.10103	3.0
181.12158	2.7
183.11684	3.3
187.11111	3.5
189.09598	2.2
189.11211	16.5
191.10638	5.3
193.12187	35.6
197.13199	4.4
203.14349	3.0
205.12134	3.1
211.13231	24.3
219.13766	3.9
227.12675	20.5
229.14249	9.8
243.17429	3.3
245.13629	4.3
261.18335	5.3
267.15863	76.0
269.17599	3.7
271.16913	15.7
273.18417	8.5
275.20020	7.8
283.15240	14.0
285.16855	25.8
289.17984	21.5
307.19003	5.3
311.19962	4.5
345.20593	7.1
349.23447	5.6
363.21451	11.9
381.22552	18.3
413.21597	2.6
421.25827	5.1
437.25153	5.1
461.29037	5.9
463.27878	3.8
475.26749	11.6
480.85190	2.4
481.29123	3.5
493.27878	11.7
499.30414	2.7
507.25562	3.1
525.26593	4.2
537.31934	5.3
539.33289	4.2
555.33118	42.6
556.32874	4.9
559.35785	3.2
573.34143	55.1
574.34283	5.3
591.35187	23.9
623.33942	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	820.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	16.3
59.04999	3.3
65.03962	2.0
67.05498	28.8
69.03422	3.3
69.07055	12.0
71.04988	4.4
79.05488	31.3
81.03412	77.2
81.07056	30.8
83.01350	6.0
83.04980	16.9
83.08614	24.7
85.02891	3.7
91.05475	29.1
93.07034	27.7
95.04958	27.3
95.08611	10.0
97.02898	5.2
97.06516	9.4
97.10152	10.5
99.04482	2.0
99.08118	2.3
103.05447	1.6
104.35349	1.6
105.07022	16.6
107.04940	12.7
107.08590	17.4
109.06531	9.5
109.10129	9.5
111.04429	8.6
111.08068	8.9
117.07011	12.1
119.08575	26.1
121.06518	6.9
121.10142	11.6
123.04449	1.9
123.08040	8.5
125.09591	11.0
129.05391	1.6
129.06950	8.8
129.12779	3.9
130.07780	2.3
131.04904	2.7
131.08560	13.7
133.06474	4.8
133.10117	8.6
135.08087	7.4
135.11674	14.7
137.09622	5.2
142.07793	2.2
143.08551	2.3
145.06479	4.5
145.10097	16.9
147.08034	5.7
147.11655	7.3
149.02287	2.9
149.09607	8.9
153.09120	2.5
153.12711	5.2
155.08548	3.0
157.10098	10.9
159.08078	6.8
159.11702	2.3
163.11153	24.7
169.10052	1.8
171.10187	2.1
173.09651	7.0
175.11180	9.8
181.12273	4.5
189.09009	1.8
189.11258	4.9
191.10670	6.3
193.12196	23.6
209.11687	8.1
211.11340	2.1
211.13208	2.7
227.12718	12.0
228.85614	1.7
233.31931	1.7
267.15897	100.0
268.16275	2.9
271.16983	4.6
273.14587	1.5
273.18387	3.2
283.15399	16.1
289.17877	14.6
307.18924	8.9
311.20212	1.7
345.20502	2.4
363.21738	3.8
381.22656	39.2
382.22913	2.0
383.22183	6.6
401.23245	3.6
457.25986	13.4
475.26877	99.3
476.27228	6.2
493.27936	8.3
529.31372	2.5
537.31866	5.2
555.33038	21.8
573.34113	73.1
574.34235	4.6
712.57635	1.6
728.69885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.1
57.07057	2.2
59.05000	2.4
59.68088	1.9
65.03945	3.7
67.05498	73.8
68.31878	2.0
68.43239	1.7
69.03421	8.1
69.07059	22.1
69.82721	7.0
79.05490	74.7
81.03400	2.4
81.07046	58.3
83.04979	4.2
83.08615	30.0
85.02927	2.3
86.09682	6.7
87.24396	1.8
91.05471	58.2
93.07038	46.6
95.04958	9.1
95.08600	34.2
96.64655	1.8
97.06538	2.7
97.10160	62.9
98.23411	3.0
103.05463	3.2
105.04526	4.7
105.07024	22.5
107.04946	2.5
107.08583	41.8
109.06516	4.7
109.10136	16.7
111.08113	2.2
114.27646	1.8
115.05439	4.9
117.07014	38.6
119.08569	68.3
121.06505	3.5
121.10122	16.4
123.11723	3.2
124.99982	3.0
125.09617	52.5
128.06223	3.1
129.07008	7.9
131.08572	17.3
133.06464	4.3
133.10069	9.9
135.08052	12.0
135.11655	11.3
137.09627	2.4
141.19685	2.1
143.08546	7.0
143.10640	3.2
145.06473	26.2
145.10127	11.5
147.08080	3.5
147.11676	6.8
149.09622	2.3
149.13254	4.5
153.09106	3.4
155.08554	6.2
157.10159	6.3
159.07973	9.6
159.11713	6.8
161.09650	2.6
161.13290	3.7
163.07607	2.9
169.10150	4.5
171.11696	3.8
173.09572	4.5
173.13199	5.0
175.11165	2.7
183.11708	2.2
184.07307	18.6
187.14885	4.6
189.11211	43.4
197.13263	2.5
215.14299	11.5
227.12750	89.6
228.13071	3.4
233.22768	2.3
243.17383	4.9
243.21059	6.5
253.15875	2.8
261.22101	24.2
271.16891	65.8
275.20087	2.4
279.21780	1.9
289.17896	23.1
295.03870	1.8
317.24649	5.4
327.19357	2.5
335.25766	77.8
345.20602	19.2
349.23758	3.7
363.21609	23.6
379.30038	2.0
467.12427	1.9
487.33963	6.5
505.28244	4.0
505.35138	47.6
506.35611	3.9
605.41736	35.8
606.42279	3.7
623.42938	100.0
624.43127	8.2
689.04639	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.4
67.05493	40.7
69.03422	6.3
69.07066	12.2
69.42561	11.5
73.29401	2.2
77.89081	2.5
79.05485	41.8
81.07047	34.5
82.77083	2.5
83.04965	5.1
83.08609	23.3
86.09679	5.6
86.81139	2.4
91.05473	36.3
93.07038	27.0
93.14777	2.3
95.04950	7.1
95.08584	16.8
97.10155	52.9
105.07027	15.3
105.07671	2.0
107.04950	3.0
107.07922	3.2
107.08591	28.4
109.06470	2.4
109.10141	14.9
115.05422	3.9
117.07007	24.8
119.08559	55.2
121.06429	2.5
121.10146	9.1
123.11711	4.1
125.00012	4.4
125.09616	42.5
125.10499	3.5
129.07019	2.6
131.08551	11.6
133.10133	6.5
135.08044	11.5
135.11678	5.1
143.08528	4.9
143.10651	3.0
145.06476	27.8
145.10118	7.1
147.08028	3.0
147.11699	5.4
149.13258	3.1
153.09154	2.7
155.08604	2.5
157.10074	4.5
159.08069	7.7
159.11674	5.2
161.13203	3.3
169.10284	2.3
171.10098	3.3
173.09677	2.7
173.13210	3.7
184.07388	19.7
189.11223	41.6
218.01932	2.9
227.12747	100.0
243.21120	2.5
253.15970	3.4
261.22113	14.3
271.16895	50.8
275.20047	5.5
289.17978	15.0
335.25848	38.5
345.20535	10.7
363.21552	18.5
487.33826	4.1
505.34860	10.1
538.68939	2.5
586.00372	3.2
605.41779	14.3
623.33716	3.9
623.43134	49.6
776.54358	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.82193	1.2
61.73057	1.2
67.05158	2.3
67.05499	30.9
69.03423	2.0
69.07064	24.4
71.04979	1.6
79.05486	25.6
81.03410	8.0
81.07048	39.9
83.04971	5.4
83.08624	5.5
85.02923	1.2
85.06544	2.4
86.09704	4.8
87.19437	1.6
91.05470	46.1
93.07030	27.6
95.01324	8.9
95.04970	11.5
95.08595	25.0
97.06519	49.2
97.10153	3.5
98.22633	2.9
99.68602	1.3
103.05440	2.9
105.04526	1.7
105.07021	61.7
107.04938	16.7
107.08569	14.2
109.06505	4.6
109.10147	7.4
111.08060	2.3
115.05424	1.2
117.07024	10.8
119.08577	30.7
121.06535	2.5
121.10139	5.7
123.04426	1.4
123.08079	3.9
123.11677	2.4
124.99998	3.5
125.09620	2.3
129.07005	4.0
131.08559	18.5
133.06560	1.4
133.10118	37.2
135.08070	3.5
135.11676	4.5
137.09630	3.1
139.07561	2.7
140.12303	1.2
141.07034	1.5
143.08525	4.0
145.06467	2.5
145.10112	12.0
147.11674	10.6
149.09607	10.4
149.13216	3.0
155.08484	1.5
157.10065	2.9
159.08095	1.9
159.11673	10.3
161.13274	4.0
163.11151	7.4
165.09154	2.3
169.10091	2.7
173.13252	3.2
175.11215	1.4
176.66431	1.1
177.12758	2.5
179.14294	15.2
184.07341	15.9
187.11148	3.1
215.17830	1.6
219.17477	1.6
222.13867	1.2
228.89192	1.3
229.19458	2.5
247.20644	2.6
248.84502	1.2
257.19000	5.7
275.20035	82.9
276.20407	3.2
293.21133	3.5
349.23691	45.4
350.23801	2.8
591.43744	1.3
623.42957	100.0
624.42969	7.5
641.43866	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05463	1.5
67.93201	0.5
69.03401	1.3
69.07040	0.9
71.15976	0.7
79.05451	1.2
81.03384	2.0
81.05746	0.6
81.07024	0.8
82.06552	0.6
85.02898	1.3
89.03890	1.3
91.05437	1.7
93.07008	1.8
94.06547	3.5
95.04948	0.7
95.07326	1.1
95.08553	0.7
96.08118	3.1
97.02839	0.8
97.06454	0.9
103.05404	0.9
105.06963	0.9
106.06528	0.9
108.04455	0.8
108.08112	3.9
110.02693	0.5
110.09681	5.4
116.04932	2.4
118.06484	0.5
119.08538	0.9
120.04444	0.6
120.08070	4.8
121.10103	0.7
122.06017	5.2
122.09665	0.7
124.07586	4.2
125.05998	0.6
128.56599	0.5
133.10075	1.1
134.05972	1.1
135.11632	0.6
136.07552	9.1
137.09525	0.7
138.09116	6.1
144.04430	6.8
144.08113	0.9
145.10043	0.7
146.05969	2.8
147.07619	0.7
148.07549	2.1
150.05478	1.0
150.09143	0.8
152.07024	1.2
160.03906	1.7
162.05504	4.3
164.07007	1.1
166.08621	10.6
170.09601	3.3
172.03923	33.3
172.07460	1.1
172.11214	1.3
173.04294	0.8
173.09578	0.7
174.05479	1.3
175.08679	1.1
184.11143	0.8
184.66112	0.6
186.09105	0.9
187.08553	0.7
187.12329	4.5
188.10626	0.6
190.04994	8.8
193.15822	0.9
197.10757	0.8
198.09120	23.3
199.08670	0.6
200.09239	1.6
200.10675	2.1
204.06540	50.5
205.12276	0.6
206.08031	0.9
212.10774	4.4
213.10072	0.5
215.11795	19.6
225.10197	1.9
226.08649	6.8
226.10797	0.9
227.08070	0.6
227.11761	2.6
229.13313	1.0
231.11211	0.9
233.11772	0.9
234.09123	0.5
239.11911	0.7
240.10265	2.9
241.09723	1.5
241.13321	1.7
242.10466	1.9
243.11259	100.0
244.11580	2.2
251.11813	0.8
253.09688	0.7
255.11229	7.6
257.12830	5.5
265.09702	0.9
267.11227	1.3
269.09320	1.5
269.13388	0.6
279.11218	1.6
285.12302	87.6
286.12698	3.7
297.12222	2.7
299.13727	0.7
301.11749	7.6
302.12469	1.3
303.13358	96.7
304.13721	3.7
307.10825	0.7
309.08594	0.9
311.10641	0.7
325.11740	7.6
326.12027	0.6
327.09656	0.7
339.13452	0.9
343.12860	1.1
351.09613	0.8
355.09125	0.9
357.14395	9.7
358.15131	1.1
359.15955	0.9
367.14633	0.7
418.17502	1.5
419.66342	0.6
428.15768	0.9
429.14398	0.8
430.17496	1.4
462.16534	2.5
470.17191	2.3
474.16849	2.7
476.18289	3.0
487.17035	1.7
494.19180	2.0
519.19586	0.8
536.20514	1.4
583.25269	4.3
599.24872	1.7
609.23456	1.7
627.24377	13.8
628.24323	1.2
641.26031	9.4
659.26636	1.5
674.19403	0.6
733.23639	0.6
789.29718	0.8
803.30811	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	28.3
57.07066	4.0
59.04999	5.0
61.02926	6.4
65.03922	3.5
67.05500	100.0
68.86430	1.3
69.03430	11.1
69.07059	16.0
70.91655	2.5
71.01349	3.4
71.04975	7.2
73.02924	7.4
79.05486	43.5
81.03407	28.5
81.03837	2.3
81.07050	45.0
82.04195	3.4
83.01336	1.5
83.04974	23.2
83.08617	23.6
85.02895	16.9
85.06541	4.6
87.04461	6.1
91.03949	2.2
91.05474	31.1
93.07040	25.3
95.04955	20.4
95.08603	19.7
97.02900	9.3
97.06530	10.1
97.10162	31.2
98.07298	4.1
99.04446	3.4
99.08096	1.5
103.05457	1.4
105.04527	1.6
105.07021	12.6
107.04964	8.2
107.08584	23.3
109.02908	1.5
109.06508	4.9
109.10149	68.6
111.04452	3.8
111.08073	7.8
116.04703	11.8
117.06992	7.1
119.08574	13.7
121.06485	1.8
121.10139	11.2
123.08060	6.2
123.11725	1.4
123.47900	1.4
125.09619	30.3
125.10509	2.2
127.03933	2.2
127.11201	2.3
129.05473	28.9
129.07004	4.5
131.08592	7.7
133.10112	6.7
135.08034	2.6
135.11664	9.3
137.09595	7.1
139.07527	1.7
143.07042	5.3
143.10652	3.1
145.10143	10.3
147.08076	2.7
147.11687	6.1
149.09573	2.3
153.09151	1.5
153.12753	5.6
155.10654	7.3
157.08609	13.4
157.10109	4.4
158.05719	1.7
163.11151	14.6
164.11617	1.6
171.10182	3.8
173.04459	1.8
173.09587	3.6
173.11725	25.0
175.11224	2.9
181.12169	3.1
183.73897	1.2
185.08064	1.4
185.11691	2.4
189.11189	6.9
191.10661	5.6
193.12222	7.3
199.09698	2.9
199.13269	16.4
200.13974	2.8
209.11693	13.6
210.12328	1.8
211.13339	3.7
217.14409	3.3
227.12737	17.4
229.14333	47.0
255.15894	2.4
265.14276	1.8
267.15891	10.0
269.17517	1.6
271.15408	1.8
283.15372	16.4
283.18802	2.9
285.17062	1.9
301.16403	48.9
330.54987	1.4
353.23352	2.0
371.24298	6.9
383.24103	8.6
399.23849	14.6
421.25900	2.6
425.25446	1.5
429.66672	1.5
437.25488	4.1
438.26001	2.2
443.26373	2.3
455.26364	15.6
509.27521	2.0
527.28241	4.0
541.33453	3.9
545.29547	2.2
553.33685	5.0
595.14746	1.6
625.35571	9.6
822.41516	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	25.6
57.07067	5.2
59.04990	4.3
61.02921	3.9
65.03934	5.7
66.60693	1.6
67.05501	100.0
68.05875	1.7
69.03422	9.4
69.07067	41.0
69.14338	8.0
69.14750	4.0
71.01350	4.3
71.04994	13.9
73.02908	5.5
77.03910	2.2
79.05489	71.1
81.03410	43.7
81.06567	3.6
81.07051	72.2
82.04203	3.6
83.01331	1.7
83.04975	27.4
83.08613	26.9
83.80085	1.6
85.02905	21.8
85.06548	5.1
87.04492	2.1
91.03926	2.3
91.05477	73.6
93.07040	58.0
94.04187	2.6
95.04962	42.2
95.08601	35.8
96.05745	2.2
97.02879	19.4
97.06540	17.9
97.10157	18.3
98.07320	4.3
99.04468	2.8
99.08104	3.1
101.05997	2.2
103.05457	2.6
104.06275	2.1
105.04514	3.6
105.07025	44.2
107.04942	23.3
107.08585	38.6
109.02894	3.5
109.06523	16.1
109.10145	44.1
111.04434	6.3
111.08079	15.6
113.05968	4.0
115.05460	4.5
116.04693	12.4
117.07023	18.1
119.08574	39.5
121.06509	9.3
121.10126	15.5
123.04420	4.9
123.08026	12.2
123.11705	3.5
125.09618	24.7
127.03890	2.3
127.07627	1.8
128.06184	2.7
129.05472	29.2
129.06978	13.0
131.08556	21.3
133.06537	5.3
133.10120	25.8
135.08041	15.6
135.11670	14.7
137.09607	25.1
138.10451	1.9
139.07553	3.1
141.06943	2.0
142.07811	3.3
143.07018	6.2
143.08533	5.7
145.06461	3.2
145.10120	15.9
147.08052	7.2
147.11668	18.1
149.09622	16.9
149.13275	4.6
151.07515	2.9
151.11198	4.5
153.09106	7.4
153.12784	2.4
155.08583	3.1
155.10666	5.1
157.08612	12.1
157.10133	14.6
159.08099	3.6
159.11705	5.9
161.09607	6.8
161.13266	2.7
163.11194	16.1
165.09108	4.6
167.10713	2.7
171.06502	3.2
171.10161	7.1
171.11613	3.6
173.09659	4.6
173.11827	9.9
173.13171	3.7
175.11237	13.1
177.12700	2.9
181.12256	3.7
189.11165	11.7
191.10675	4.7
193.12213	29.7
195.13782	3.7
199.13312	6.9
200.14099	2.1
209.11728	6.8
211.13268	28.6
215.14487	1.9
221.11603	2.3
227.12770	13.5
229.14323	23.1
232.40637	1.8
239.12810	2.7
243.17693	2.1
245.19066	3.2
255.17606	1.9
257.19098	2.4
263.20129	2.4
267.15884	22.5
269.17480	5.5
271.16971	2.0
273.18530	13.7
275.07333	1.7
275.20016	11.5
283.15405	9.5
285.16901	15.5
289.17984	5.0
291.19550	7.5
301.16425	33.9
307.19037	1.8
320.23260	1.8
347.22031	4.0
349.23813	11.0
365.23203	8.0
381.22723	6.2
383.24216	2.7
399.23648	13.5
421.25818	4.8
437.25516	2.3
439.27078	15.4
447.27744	2.4
455.26288	10.3
461.28925	6.2
463.30310	5.2
477.28702	5.0
479.29825	13.6
485.49026	1.9
541.34930	6.0
557.34290	4.7
559.36169	12.7
573.33972	4.8
575.35419	4.0
591.34998	11.3
607.34912	5.4
625.35681	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	822.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	19.1
59.04995	2.5
65.03921	3.9
67.05497	58.2
69.03415	8.5
69.07059	28.4
70.41574	4.2
70.87032	1.8
71.04987	10.5
79.05485	51.4
81.03407	100.0
81.07048	75.8
83.04978	18.2
83.08604	26.7
85.02895	8.2
85.06528	4.5
91.05473	46.1
93.07039	44.1
95.04955	42.9
95.08603	21.7
97.02872	6.8
97.06528	30.0
97.10152	24.5
99.04455	3.7
99.08102	3.7
104.57473	1.9
105.04498	3.6
105.07014	35.2
107.04939	18.2
107.08586	28.3
109.06496	15.1
109.10161	16.2
111.04420	7.8
111.08053	13.1
115.05436	3.7
115.07551	7.2
115.86869	1.9
117.07001	15.6
119.04964	2.2
119.08562	37.3
121.06503	13.4
121.10130	21.4
123.08057	15.5
123.11684	3.7
125.09615	21.3
128.06236	3.6
129.06979	16.8
131.04913	3.2
131.08562	22.3
133.06480	6.3
133.10120	16.4
135.08055	11.9
135.11697	10.7
137.09592	5.4
141.06995	3.3
142.07780	3.0
143.08548	8.7
145.06479	4.3
145.10097	16.0
147.08025	12.9
147.11661	13.3
149.09627	11.4
149.13251	2.6
151.11128	2.9
153.09042	2.2
153.12701	4.2
155.08505	3.7
157.10132	16.8
159.08037	5.9
159.11693	9.1
161.09586	11.2
161.13261	3.4
163.11157	17.1
165.09024	3.9
165.12756	3.0
169.10123	3.0
171.11649	6.2
173.09613	5.9
173.11784	2.0
175.11218	10.7
177.12723	4.5
181.10080	2.2
181.12192	5.9
183.11707	2.4
184.07410	2.2
185.09674	2.0
185.13243	2.7
187.11169	2.4
189.11203	12.9
191.10637	4.9
193.12231	25.4
195.11681	4.2
199.11205	3.7
199.14856	1.9
203.14244	2.6
209.11647	2.9
211.13261	5.0
217.15938	3.4
219.13803	4.6
219.29016	2.3
223.13243	3.7
227.12733	10.4
227.18172	2.3
229.14296	3.3
231.13693	2.8
245.19063	1.9
249.14777	3.0
252.44962	1.9
267.15897	91.4
268.16177	3.4
269.17343	7.9
273.18448	29.9
283.15317	3.5
289.17789	2.5
291.19479	41.6
301.16464	4.2
309.20667	5.5
313.21664	2.1
347.22153	9.1
365.23373	18.5
383.24326	15.4
429.27368	2.3
435.27350	4.0
443.27872	2.6
447.28427	9.4
461.29135	12.1
465.29922	6.7
477.28256	2.5
483.30780	5.0
487.30069	2.4
489.28778	2.6
489.36414	2.5
493.31555	3.9
495.28531	2.0
499.30466	3.0
517.31531	2.7
539.33551	16.9
557.34705	87.9
558.34778	7.2
575.35657	51.8
576.35736	4.5
589.35248	2.2
607.36566	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03177	2.2
57.03431	20.4
59.04988	4.9
61.02884	2.4
61.40279	1.6
64.68059	1.7
65.03924	4.1
66.81522	1.9
67.05500	100.0
67.62515	1.7
69.03425	10.2
69.07063	41.5
71.01361	2.1
71.04987	10.6
79.05042	4.1
79.05489	63.1
81.03410	94.5
81.07051	69.6
83.04971	13.8
83.08611	26.7
84.29021	1.6
85.02888	7.1
85.06537	7.0
87.04465	3.3
91.05473	63.4
91.06050	3.0
93.07036	52.7
95.04958	46.0
95.08597	38.9
97.02881	6.4
97.06516	13.6
97.10161	11.9
98.23488	4.1
99.04414	2.8
99.08088	2.3
103.05423	2.0
105.04527	3.5
105.06369	1.1
105.07018	44.8
107.04925	15.6
107.08589	23.0
109.06513	8.5
109.10145	45.7
111.04456	2.4
111.08076	10.8
115.05418	2.0
117.07021	13.9
119.08574	32.4
121.06509	9.6
121.10140	23.8
123.04430	2.1
123.08068	9.2
123.08875	1.7
123.11662	2.3
125.09617	12.6
127.03880	2.9
128.06175	2.3
129.05528	1.8
129.06993	16.6
130.07719	2.2
131.08569	24.2
133.06458	5.3
133.10124	19.3
135.08046	3.5
135.11681	13.1
137.09608	12.0
142.07819	4.5
143.08551	5.9
145.06448	3.3
145.10103	17.0
147.08018	7.3
147.11655	12.2
149.09610	20.2
149.13277	4.0
151.11125	3.1
153.07039	1.8
155.08514	3.0
155.10645	4.8
157.06537	2.0
157.10110	14.1
159.08055	3.7
159.11705	7.9
161.09668	2.2
161.13191	2.7
163.11157	13.3
165.12727	2.9
167.10721	2.2
169.10107	2.5
171.10175	2.2
171.11662	3.4
173.11732	12.2
173.13141	2.9
175.11200	15.4
177.12721	2.1
179.14272	2.6
181.10133	2.3
181.12076	3.1
183.11679	3.8
185.13261	2.4
187.11125	2.2
189.11197	6.2
191.10614	3.1
193.12213	41.8
195.13763	2.3
197.13268	3.7
199.11057	2.0
199.13156	2.5
209.11702	2.5
211.11417	1.9
211.13283	6.7
219.13730	3.1
223.13315	4.2
225.14757	4.5
227.12712	13.1
229.14326	42.5
231.14006	3.0
233.15303	2.0
243.15921	6.0
249.14819	5.9
255.15726	4.2
266.14676	1.8
267.15878	94.0
268.16299	4.1
269.17352	3.3
273.18518	3.9
275.20068	18.3
283.15402	4.1
291.19400	9.8
313.21454	1.8
329.21210	4.1
339.65985	1.9
349.23703	20.3
355.22382	2.7
363.21182	2.2
365.23239	4.9
403.24533	3.0
421.25818	37.8
423.27319	3.1
429.26227	4.4
435.27313	6.7
445.29404	2.6
447.27353	26.4
461.29211	3.0
477.28207	1.9
541.35199	42.3
542.35577	3.2
557.34912	3.3
559.36206	12.4
560.36676	1.8
625.35748	1.9
679.10229	1.9
711.20935	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	822.483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03178	1.8
57.03434	18.1
57.07066	1.8
59.05021	2.8
61.02912	4.1
64.21597	1.2
65.03925	5.6
67.05499	100.0
68.05830	1.7
69.03426	10.1
69.07063	37.9
69.07442	1.9
69.13869	8.7
71.01345	2.6
71.04987	14.7
73.02905	2.2
77.03910	2.2
79.05486	65.2
80.05799	1.9
80.46946	1.3
81.03409	50.3
81.07049	78.7
82.07367	1.5
82.69816	1.2
83.04968	20.7
83.08610	21.8
85.02893	17.8
85.06541	3.7
87.04467	2.2
91.05473	65.9
93.07037	59.4
95.04960	32.3
95.08593	36.9
95.09211	2.0
97.02342	1.3
97.02882	8.8
97.06517	19.2
97.10163	11.3
98.23409	3.2
99.04442	2.3
99.08066	3.9
103.05473	2.0
105.04508	3.8
105.07020	38.4
107.04937	17.8
107.08580	34.0
109.02880	1.8
109.06513	10.9
109.10149	35.5
110.10476	2.0
111.04424	5.7
111.08074	14.3
112.37645	1.2
113.05978	2.7
113.09610	1.3
115.05434	3.1
115.07567	1.4
116.04709	3.0
116.06239	1.4
117.07018	17.3
119.04900	1.3
119.08569	31.4
121.06483	5.9
121.10136	22.3
123.04435	1.7
123.08060	9.8
123.11694	5.1
124.77563	1.2
125.09628	12.7
127.03918	4.3
127.07526	2.0
128.06210	2.9
129.05464	5.2
129.06984	13.5
130.07780	2.0
131.08551	19.0
133.06477	4.9
133.10121	26.0
135.08044	6.1
135.11678	13.5
137.09587	12.9
139.07506	1.3
139.11156	2.7
141.07065	1.6
142.07736	2.5
143.08533	5.6
145.06441	2.5
145.10118	17.4
147.08035	5.5
147.11673	14.0
149.09608	17.4
149.13249	10.8
150.93141	1.4
151.11142	3.1
153.09119	3.2
153.12718	2.6
154.72298	1.4
155.08575	3.7
155.10617	3.2
157.08746	2.2
157.10124	12.0
159.08057	1.8
159.11673	11.0
161.09610	3.2
161.13242	3.9
163.11185	13.8
165.09125	2.6
165.12735	2.9
167.10704	1.6
169.10100	1.7
171.10226	1.6
171.11652	4.3
173.09589	3.7
173.11720	10.2
173.13145	2.1
175.11119	10.9
177.12737	5.2
179.14182	3.2
181.12234	2.8
183.11694	2.3
184.07414	1.8
185.13200	2.9
186.23459	1.2
187.11116	2.1
189.11189	4.1
189.12720	2.5
191.10663	3.7
193.12231	29.7
195.11832	1.4
195.13780	5.3
199.11293	1.4
199.13237	5.1
201.12675	2.1
209.11702	10.0
211.11198	1.8
211.13248	30.4
211.15108	2.7
213.14786	1.7
223.13344	1.5
227.12704	11.2
229.14325	17.2
233.15280	1.7
249.14836	2.3
255.15813	3.2
257.18979	4.2
265.14267	2.6
267.15891	26.8
268.15976	1.2
269.17401	16.6
273.18484	5.0
275.20041	18.6
283.15292	11.4
285.16953	18.4
291.19446	5.1
301.16489	18.2
323.18369	1.5
331.22479	1.6
349.23657	20.6
363.21500	1.7
365.23203	3.2
373.18369	2.2
381.22705	2.1
383.24060	4.0
386.85559	1.5
411.27417	2.9
421.25848	8.5
423.27542	8.3
437.25363	2.0
439.26895	21.3
440.27213	2.0
455.26349	3.8
459.27130	2.2
461.28857	9.4
463.30429	9.3
477.28418	14.7
479.29913	13.1
481.28140	1.5
495.29404	7.1
527.27692	1.5
539.33490	2.3
541.35016	5.5
557.34314	5.5
559.36200	11.7
575.35498	5.4
577.36945	2.5
583.30975	2.1
591.38336	1.7
607.37482	3.1
639.33588	2.1
725.91510	1.6
823.39276	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	822.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	1.0
57.03436	12.1
57.07071	2.3
59.04993	5.7
61.02916	3.6
65.03931	3.3
67.05497	100.0
68.05818	1.1
69.03411	5.6
69.07059	12.0
71.01350	2.9
71.04627	1.5
71.04987	18.8
73.02913	2.6
79.05481	25.9
81.03405	10.8
81.07047	67.4
83.01325	1.0
83.04967	9.1
83.08608	16.2
85.02895	15.0
85.03401	0.9
85.06527	7.6
87.04466	5.3
91.03947	1.4
91.05470	24.5
93.07031	20.8
93.07599	1.3
95.04951	7.3
95.08594	14.9
97.02869	4.8
97.06503	6.7
97.10149	13.8
99.08110	1.1
103.03966	1.1
105.07024	13.0
106.07352	1.0
107.04933	4.2
107.08588	16.6
109.02924	0.8
109.06546	3.7
109.10142	64.9
110.10450	1.5
111.04460	1.3
111.08080	3.5
115.05465	1.0
117.07005	5.1
119.08572	10.2
121.06499	1.8
121.10136	6.7
123.08071	2.4
123.11720	7.9
125.09621	14.5
127.03954	1.0
129.05466	2.5
129.07022	2.3
131.08572	5.0
133.10118	11.5
135.08055	2.0
135.11652	5.8
137.09563	4.4
139.11186	1.4
143.10651	1.8
145.10110	5.1
147.07896	1.0
147.11664	2.6
149.09561	1.3
149.13226	2.0
151.11154	4.6
153.12727	4.0
155.10666	3.0
157.10098	1.2
159.11679	2.7
163.11197	6.7
169.12187	1.6
173.09601	1.7
173.11720	19.1
173.13132	0.8
175.11209	1.3
177.12666	1.2
181.12268	2.3
183.13829	2.3
184.07350	1.0
187.13248	4.1
191.10648	2.6
193.12215	2.7
195.13831	1.2
199.13206	4.8
209.11740	6.2
211.13249	1.4
227.12721	5.6
229.14310	38.2
243.15855	1.4
257.13611	1.7
257.17422	1.7
258.93509	0.8
267.15826	2.1
269.17432	3.7
283.15228	3.8
301.16394	6.5
301.20023	11.0
367.24747	1.8
371.24097	0.8
373.18530	5.3
374.18771	0.9
383.01486	1.0
383.24185	3.4
397.25815	24.8
397.30780	1.8
398.26068	1.2
399.23795	6.8
411.27426	1.5
423.27460	1.8
425.28500	1.1
435.27173	1.8
451.26849	2.7
455.30325	8.5
469.27942	8.8
495.29745	1.1
527.28168	5.9
567.35217	27.8
568.35651	1.8
593.36285	2.2
605.56989	0.8
625.39380	29.2
626.39447	1.4
643.35938	1.1
822.41724	1.7
852.53485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.5
61.28834	2.3
65.03940	3.5
67.05497	37.2
69.07063	31.0
70.07494	2.4
71.04994	3.5
76.58721	2.4
77.03938	2.4
79.05488	42.6
81.03412	4.8
81.07050	53.7
83.04970	6.7
83.08611	9.7
91.05473	65.3
93.07032	41.5
95.01324	8.6
95.04964	8.7
95.08597	26.3
97.06536	21.8
102.60832	2.1
105.04543	3.7
105.07018	80.4
107.04946	16.3
107.08588	24.9
109.06479	3.3
109.10142	8.5
111.08092	6.3
113.09629	3.0
117.07017	18.3
119.08575	50.5
121.10140	11.8
123.08073	3.3
125.09583	2.8
129.07027	7.4
131.08559	24.9
133.10112	49.2
135.08118	3.1
135.11699	10.7
137.09641	2.7
143.08554	6.7
145.10104	20.6
147.11694	23.3
149.09581	5.6
149.13246	4.7
157.10095	5.8
159.11639	16.0
161.13266	11.5
163.11134	5.1
165.09154	3.2
171.11681	8.0
173.13260	8.1
175.14873	5.7
179.14319	13.9
185.13260	5.7
231.20973	4.7
238.46194	2.7
241.19489	15.4
257.18912	5.2
259.20593	26.0
275.20029	69.8
293.21155	4.5
315.23227	13.4
333.24203	53.5
334.24622	3.4
349.23694	54.7
446.59634	2.9
607.43451	100.0
608.43402	9.2
625.44379	12.4
626.44141	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	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.1
57.07066	3.0
61.02925	3.1
62.19139	2.1
67.05498	63.0
67.05867	3.3
69.03430	5.8
69.07059	34.9
69.56957	5.7
71.04961	2.5
71.80529	2.2
79.05488	47.1
81.03410	5.9
81.07053	57.3
83.04967	4.7
83.08611	9.8
86.09692	3.8
91.05473	26.3
93.07041	43.2
95.04976	13.4
95.08600	38.3
97.02884	7.1
97.06501	3.9
97.10159	19.1
105.04520	2.4
105.07030	23.6
107.04945	6.5
107.08589	29.5
109.06495	4.5
109.10149	14.4
111.08083	2.4
117.07027	8.7
119.04918	3.4
119.08553	17.1
121.06515	3.4
121.10135	15.7
123.11627	2.9
125.09577	6.5
129.06992	4.4
131.08533	12.2
133.06493	3.4
133.10147	11.9
135.08040	4.0
135.11690	8.1
141.07011	2.2
143.08546	3.1
145.10110	9.0
147.08046	5.9
147.11668	5.3
149.09560	2.6
149.13220	5.2
159.11711	5.7
161.09590	5.0
161.13272	4.0
184.07288	14.1
189.11195	3.6
205.12254	3.5
223.13264	18.7
226.62843	2.2
227.12770	4.8
249.27419	2.1
261.22177	6.8
272.69403	2.7
272.81573	2.5
273.18399	11.4
291.19510	98.8
300.13574	2.7
317.24612	3.3
335.25787	100.0
336.25919	5.4
365.23227	47.1
377.72726	2.7
545.37976	3.5
625.44489	88.8
626.44684	6.4
689.66534	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	823.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37300	2.1
58.33708	2.5
62.89142	2.7
70.14085	5.5
79.05473	5.4
85.02890	5.3
91.05490	6.0
93.07021	6.0
94.06551	8.4
95.04952	2.6
95.07354	5.3
96.08109	14.9
97.02924	3.7
107.04826	2.4
108.08130	16.3
110.09673	26.2
120.04482	5.7
120.08092	19.1
122.06023	7.6
124.07592	5.8
133.10077	3.3
134.05975	3.8
136.07542	16.2
137.05956	6.7
138.05473	6.6
138.09123	44.9
144.04445	8.7
146.06015	8.3
148.07564	8.0
150.09094	2.9
160.03876	2.8
162.05418	4.0
166.08627	74.7
167.07051	8.8
172.03926	49.4
174.05524	3.8
180.76208	2.4
190.04961	16.9
193.32153	2.3
194.38278	2.4
197.10771	2.8
203.02071	2.2
204.06543	86.0
205.06801	2.5
209.08000	2.9
212.09282	3.2
225.10074	5.8
227.11792	7.3
236.09229	3.2
237.10187	12.6
239.11591	5.0
241.09586	3.2
245.12924	2.8
251.07980	2.9
251.11794	9.7
253.09674	8.5
265.09650	17.9
266.10385	2.7
267.11215	6.5
269.12823	5.7
271.10834	6.9
273.12317	7.8
278.06537	3.8
279.11295	10.2
280.08496	3.2
281.12561	3.0
283.10767	8.9
285.12302	4.0
287.13904	7.6
293.09305	13.4
293.12320	2.6
295.10776	4.9
297.12238	8.0
302.00885	2.5
305.14804	8.7
307.10687	6.7
309.12323	6.7
311.10147	3.6
313.11768	8.1
323.10004	5.7
325.11716	25.8
335.10208	11.6
341.11325	13.8
343.12943	3.2
353.11353	18.8
356.94269	2.5
357.14456	31.7
358.15195	4.8
373.13940	7.1
385.13919	10.1
398.14758	4.9
399.15414	7.1
416.15869	8.0
417.16510	7.7
446.17047	4.1
458.16934	7.6
460.18417	3.5
465.18790	4.2
476.17926	5.4
478.19675	7.9
487.16690	4.5
488.17630	7.5
490.19806	4.7
506.19165	100.0
507.19199	4.8
510.22113	4.9
520.20654	12.6
538.21808	90.1
539.21729	6.3
611.24799	32.9
629.25836	18.9
643.26904	10.1
661.28333	3.2
773.28833	7.1
791.30237	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.0
67.05486	1.8
69.03420	1.5
69.46785	2.5
75.04481	2.9
77.03903	0.8
78.04695	2.4
79.05476	3.8
81.03407	2.0
85.02895	4.3
89.03905	0.8
89.06007	0.8
91.05479	8.7
93.03397	7.7
93.07050	3.0
95.04940	4.5
97.06511	2.7
98.23484	0.7
102.04664	0.8
103.05466	13.7
105.03350	1.5
105.04508	1.5
105.07021	5.1
106.04163	13.0
107.04953	6.8
108.02095	0.7
109.06470	0.8
110.03643	1.2
111.04400	1.5
113.03111	0.5
114.38313	0.6
115.05440	3.2
117.03326	0.8
117.07018	3.5
118.04102	3.1
119.04905	1.4
119.08592	1.0
120.05703	0.8
121.06492	16.5
123.04417	3.3
123.08012	0.7
124.05161	1.7
125.05965	6.4
129.06969	1.3
130.04071	0.7
131.04910	12.8
132.05678	1.2
133.02840	1.8
133.06476	5.9
134.03632	2.7
135.04369	1.3
135.08018	1.8
137.05968	5.3
138.03090	0.6
138.06778	0.7
139.07530	1.7
143.04915	1.4
145.02815	1.0
145.05376	0.7
145.06436	4.0
146.03566	0.8
147.04424	0.8
147.07993	1.8
148.05154	8.0
149.05962	27.6
151.03891	1.8
151.07518	1.8
152.04680	0.8
153.01952	0.6
153.05466	4.0
153.09088	9.1
156.02747	0.6
157.06454	0.8
159.04410	0.8
159.08064	0.8
160.05161	1.1
161.05963	7.3
163.03860	1.7
163.07524	14.9
165.05461	1.1
166.06273	1.2
167.07027	39.0
171.06554	3.0
173.06001	3.7
174.06659	0.6
175.07494	2.9
176.04642	1.5
177.05449	17.1
179.07005	1.0
181.04942	44.8
181.08534	17.8
182.05266	0.9
187.07567	2.0
190.06247	0.9
191.07010	55.2
192.07452	1.7
193.08620	3.0
195.06485	2.7
201.05540	0.9
203.07024	1.9
205.08572	2.9
207.06477	0.9
207.08231	0.9
207.10213	1.2
209.08064	100.0
210.08418	2.1
217.08507	1.6
219.08197	0.9
219.10057	3.1
221.07965	1.0
225.07378	0.9
231.06519	0.7
233.08023	4.2
235.07547	1.0
235.09612	4.1
236.08051	0.6
245.08128	1.2
247.07355	0.8
251.06784	0.7
261.11099	0.6
263.09158	15.8
265.08475	0.7
267.10138	1.9
297.11105	1.4
309.10880	0.6
314.11679	0.7
325.10632	2.5
329.13837	0.9
355.11469	0.7
357.13370	3.9
367.11575	1.3
369.13159	1.1
371.14798	1.1
381.13495	0.6
385.12741	6.8
387.14276	1.2
389.16110	0.8
399.14182	2.7
417.15384	17.4
429.25916	0.6
682.09344	0.7
803.96307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.0
67.05486	1.8
69.03420	1.5
69.46785	2.5
75.04481	2.9
77.03903	0.8
78.04695	2.4
79.05476	3.8
81.03407	2.0
85.02895	4.3
89.03905	0.8
89.06007	0.8
91.05479	8.7
93.03397	7.7
93.07050	3.0
95.04940	4.5
97.06511	2.7
98.23484	0.7
102.04664	0.8
103.05466	13.7
105.03350	1.5
105.04508	1.5
105.07021	5.1
106.04163	13.0
107.04953	6.8
108.02095	0.7
109.06470	0.8
110.03643	1.2
111.04400	1.5
113.03111	0.5
114.38313	0.6
115.05440	3.2
117.03326	0.8
117.07018	3.5
118.04102	3.1
119.04905	1.4
119.08592	1.0
120.05703	0.8
121.06492	16.5
123.04417	3.3
123.08012	0.7
124.05161	1.7
125.05965	6.4
129.06969	1.3
130.04071	0.7
131.04910	12.8
132.05678	1.2
133.02840	1.8
133.06476	5.9
134.03632	2.7
135.04369	1.3
135.08018	1.8
137.05968	5.3
138.03090	0.6
138.06778	0.7
139.07530	1.7
143.04915	1.4
145.02815	1.0
145.05376	0.7
145.06436	4.0
146.03566	0.8
147.04424	0.8
147.07993	1.8
148.05154	8.0
149.05962	27.6
151.03891	1.8
151.07518	1.8
152.04680	0.8
153.01952	0.6
153.05466	4.0
153.09088	9.1
156.02747	0.6
157.06454	0.8
159.04410	0.8
159.08064	0.8
160.05161	1.1
161.05963	7.3
163.03860	1.7
163.07524	14.9
165.05461	1.1
166.06273	1.2
167.07027	39.0
171.06554	3.0
173.06001	3.7
174.06659	0.6
175.07494	2.9
176.04642	1.5
177.05449	17.1
179.07005	1.0
181.04942	44.8
181.08534	17.8
182.05266	0.9
187.07567	2.0
190.06247	0.9
191.07010	55.2
192.07452	1.7
193.08620	3.0
195.06485	2.7
201.05540	0.9
203.07024	1.9
205.08572	2.9
207.06477	0.9
207.08231	0.9
207.10213	1.2
209.08064	100.0
210.08418	2.1
217.08507	1.6
219.08197	0.9
219.10057	3.1
221.07965	1.0
225.07378	0.9
231.06519	0.7
233.08023	4.2
235.07547	1.0
235.09612	4.1
236.08051	0.6
245.08128	1.2
247.07355	0.8
251.06784	0.7
261.11099	0.6
263.09158	15.8
265.08475	0.7
267.10138	1.9
297.11105	1.4
309.10880	0.6
314.11679	0.7
325.10632	2.5
329.13837	0.9
355.11469	0.7
357.13370	3.9
367.11575	1.3
369.13159	1.1
371.14798	1.1
381.13495	0.6
385.12741	6.8
387.14276	1.2
389.16110	0.8
399.14182	2.7
417.15384	17.4
429.25916	0.6
682.09344	0.7
803.96307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82315	2.5
59.04984	6.2
61.02919	8.6
65.03940	4.8
67.05498	100.0
68.05830	3.4
69.03437	14.2
69.07061	24.8
69.28186	15.3
70.06577	5.1
71.04973	13.2
71.08618	3.5
73.02904	7.8
74.60678	2.3
79.05485	69.5
80.05817	3.4
81.03410	63.7
81.07051	88.3
82.03740	5.6
82.04209	3.1
82.07365	3.3
83.04971	30.3
83.08607	36.7
85.02895	26.9
85.06543	5.2
87.04471	5.6
88.07627	4.2
91.03976	3.4
91.05473	72.1
93.07042	51.4
95.04965	52.8
95.08585	30.8
97.02895	11.6
97.06539	14.8
97.10155	26.2
98.07320	5.4
99.04493	3.6
99.08102	2.9
101.06056	3.5
102.09206	3.6
105.04520	3.0
105.07020	37.9
107.04937	18.9
107.08585	26.8
108.08870	2.8
109.06532	13.4
109.10143	42.9
110.10513	4.0
111.04445	7.9
111.08054	15.4
116.04695	9.8
117.07010	18.0
119.04934	3.7
119.08571	36.5
120.08939	3.4
121.06493	9.8
121.10107	25.2
123.08054	15.6
125.09646	21.5
125.10453	3.7
128.06201	3.1
129.05493	26.6
129.06995	16.2
131.08563	28.2
133.06511	4.5
133.10132	26.7
134.10498	2.8
135.08028	11.1
135.11673	14.9
136.11963	3.0
137.09605	7.6
142.07806	5.2
143.07005	9.0
143.08575	6.0
143.10675	3.1
145.06419	3.8
145.10120	21.2
147.08070	12.3
147.11650	19.8
149.02386	15.2
149.09587	14.2
150.02621	5.3
153.09076	2.8
155.10664	3.5
157.08612	14.7
157.09966	16.9
159.08130	4.1
159.11682	5.5
161.09592	5.5
161.13242	2.7
163.11157	17.5
165.12773	5.4
167.08678	3.3
171.10239	5.1
171.11652	3.4
173.09572	4.2
173.11751	11.0
175.11203	21.1
184.07321	4.8
189.11264	5.6
191.10658	4.5
193.05038	7.3
193.12227	51.6
197.07199	3.4
199.13312	9.4
209.11639	5.9
211.13269	65.4
212.13684	3.9
227.12764	14.3
228.23232	4.9
229.14253	20.9
229.23656	6.5
249.14818	3.3
255.17725	3.0
267.15891	27.8
269.17542	3.9
273.18442	24.0
283.15390	10.5
285.16931	45.3
291.19464	20.0
301.16443	54.2
302.16885	4.6
307.14618	3.2
309.16138	4.3
325.15680	3.8
325.20068	2.7
333.23947	2.9
336.68002	2.9
347.21832	4.5
383.19818	16.3
401.20850	19.8
417.20416	20.9
421.25842	7.1
423.27084	3.7
438.25510	3.0
439.26859	30.9
558.34515	3.3
573.34052	5.4
593.32343	4.2
609.32281	17.2
627.32800	33.0
824.41937	39.1
825.41412	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	824.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	8.6
65.03915	2.0
65.62362	0.6
67.05499	38.1
69.03424	3.4
69.07059	11.2
71.01347	2.9
71.04981	5.9
73.02923	2.7
73.77911	0.7
79.05483	36.1
81.03408	42.0
81.07053	24.6
83.04975	11.7
83.08614	16.2
85.02896	18.0
85.06532	3.6
90.88054	0.6
91.03929	4.3
91.05472	25.9
93.07032	38.5
95.04959	20.7
95.05524	1.4
95.08598	9.8
97.02874	7.5
97.06518	11.4
97.10163	9.6
98.23523	1.4
99.04455	1.2
99.08084	1.9
103.05479	0.9
104.40182	0.7
105.04534	1.4
105.07021	14.6
107.04951	6.6
107.08580	24.0
109.06520	3.8
109.10144	6.2
111.04415	2.2
111.08067	7.8
113.06083	0.7
117.06998	4.1
119.08575	14.2
121.06472	1.8
121.10116	8.8
123.08047	2.5
125.09653	2.9
127.03893	1.4
127.07647	1.0
128.06384	0.7
129.07002	7.3
130.94421	0.7
131.08557	6.8
133.06480	2.1
133.10121	9.5
135.08060	1.6
135.11681	37.2
137.09589	1.7
141.07002	0.7
142.07755	0.9
143.08609	1.1
145.05028	1.0
145.10107	7.8
147.08038	2.2
147.11684	8.6
149.09599	4.5
153.12743	1.5
157.10101	8.7
163.06081	1.2
163.11153	5.3
165.12766	1.4
175.11160	7.9
181.12225	7.7
181.39734	0.7
184.07330	1.1
193.12219	25.7
193.13971	1.6
199.13191	1.1
209.11711	1.8
211.13275	29.5
227.12749	1.4
229.14354	1.3
249.14926	1.0
255.15883	87.9
256.16287	1.9
267.15860	21.0
268.16309	1.0
285.16943	20.4
291.19427	0.8
301.16266	1.5
346.64301	0.8
367.98041	0.9
373.24167	1.1
387.14938	0.8
421.25723	2.6
447.27380	43.9
448.27847	1.8
465.28439	100.0
466.28769	5.7
573.33545	1.4
591.35675	1.0
609.32556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	3.4
59.16011	2.1
61.02924	6.2
62.08594	1.9
65.03922	7.0
67.05498	100.0
67.05863	4.8
68.05815	2.5
69.03423	13.2
69.07059	27.4
70.06585	2.9
70.66208	2.3
71.01344	4.2
71.05000	11.8
73.02913	8.3
73.74796	1.9
76.70942	2.2
79.05486	62.7
81.03409	67.1
81.07046	68.3
83.04973	24.7
83.08611	30.4
85.02905	27.6
85.06503	6.1
86.09705	3.8
87.04456	6.3
88.48649	2.0
91.03925	2.4
91.05470	61.4
93.07034	45.4
94.07389	4.1
94.35895	2.1
95.04965	33.9
95.08598	32.9
97.02890	13.1
97.06529	13.6
97.10153	18.0
99.04436	4.0
103.03942	2.7
105.04514	3.6
105.07011	36.1
105.07642	3.4
107.04932	15.5
107.08590	23.2
109.06493	6.8
109.10144	62.0
111.04415	7.0
111.08067	10.2
113.06018	3.7
115.05402	2.8
117.07024	8.5
119.08566	32.0
121.06519	4.8
121.10126	19.4
123.08030	7.2
123.11746	3.8
125.09609	14.1
129.05479	6.9
129.06970	11.3
131.08543	20.7
133.06454	3.5
133.10117	19.6
135.08020	4.2
135.11674	12.6
137.09630	7.4
139.11200	2.4
142.07768	4.0
143.08499	3.7
145.10117	15.1
147.08020	6.1
147.11639	17.8
149.09593	13.1
151.11096	2.2
153.12717	4.3
155.10686	3.1
157.08755	4.1
157.10130	14.2
159.08003	2.2
159.11696	2.4
161.09586	3.5
163.11200	10.1
165.12724	3.0
173.04466	2.3
173.09673	6.0
173.11754	18.6
173.13124	3.2
175.11208	13.8
175.87576	2.1
181.12299	4.2
184.07310	8.2
189.11263	3.3
191.10664	6.9
193.12224	44.1
199.13287	8.7
200.45305	2.0
209.11644	14.1
211.13246	62.4
212.13742	3.5
226.63301	2.1
227.12804	10.5
228.19479	2.3
229.14354	42.1
230.14583	3.0
241.03145	2.4
255.15796	3.7
265.14090	3.0
267.15930	28.1
269.17477	2.1
273.18478	2.5
275.19916	7.2
283.15222	12.1
285.16922	44.7
291.19473	2.6
301.16400	21.0
302.16705	4.2
317.15616	3.1
349.23712	6.0
385.41418	2.4
392.16373	2.1
399.23709	14.7
409.25516	2.3
413.17682	5.3
421.25864	11.8
427.26987	3.9
439.26874	39.5
440.27020	2.2
455.26089	2.4
456.26492	3.0
457.27051	2.5
475.26590	3.3
477.28555	3.2
493.27768	9.1
501.23004	7.6
511.29160	10.7
575.35370	4.3
576.46735	2.6
593.14954	2.5
609.36273	40.5
619.31329	2.5
657.95361	2.5
673.33496	9.3
824.40039	13.8
825.41956	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	824.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	3.7
64.11822	2.6
65.03926	5.3
67.05158	5.0
67.05498	84.3
69.03424	8.5
69.07062	27.2
70.55318	3.0
71.04979	11.7
72.08812	2.3
79.05485	60.1
80.01058	2.3
81.03410	97.7
81.07049	75.5
83.04971	19.2
83.08614	33.7
85.02899	11.5
85.06520	5.3
86.09676	2.9
91.05472	59.5
93.07038	58.6
95.04959	40.5
95.08598	37.1
97.02901	10.1
97.06530	16.9
97.10171	18.4
105.04529	5.7
105.07021	47.2
107.04958	17.7
107.08585	40.5
109.06525	16.4
109.10139	35.4
111.04450	3.9
111.08093	12.8
115.05464	2.6
117.06973	16.5
119.04971	5.4
119.08572	43.2
121.06512	12.9
121.10140	26.4
123.08051	7.5
123.11719	5.7
125.09610	14.3
129.07001	18.4
131.08557	30.9
133.06494	7.8
133.10112	25.6
135.08023	8.4
135.11658	18.1
137.09596	5.3
141.07010	3.5
142.07814	4.1
143.08533	8.3
145.06473	3.4
145.10094	16.0
147.08054	8.7
147.11688	20.5
149.09636	15.3
149.13216	5.6
151.11183	4.7
153.09056	2.6
155.08516	5.6
157.10091	17.0
159.07976	3.0
159.11671	10.6
161.09581	4.6
161.13278	4.6
163.11171	10.3
165.12737	4.5
169.10068	3.1
171.11667	6.0
173.11761	7.3
173.13199	3.9
175.11194	15.7
181.12167	4.7
184.07341	8.3
185.09698	3.7
185.13206	4.3
187.11206	2.8
187.14955	3.4
189.11229	8.2
191.10699	2.8
193.12221	30.0
201.12689	3.1
203.14340	3.1
211.13319	7.6
217.15935	3.0
227.12675	12.6
229.14279	28.0
249.14793	3.6
255.15929	21.8
257.18994	2.8
266.19415	2.8
267.15863	100.0
268.16229	4.0
269.17456	10.3
273.18344	5.1
275.20004	20.6
283.95261	2.7
285.16840	5.3
291.19708	5.3
293.21103	3.9
301.16440	3.1
349.23703	20.3
367.24698	15.9
369.24304	6.0
373.23825	2.9
403.25040	3.7
421.25876	33.2
443.28033	13.1
447.27530	22.1
461.28949	63.8
462.29132	4.9
465.28391	29.9
467.31903	4.0
479.29599	3.1
493.31448	24.4
523.34045	3.8
541.27271	4.2
541.35077	51.7
559.36279	49.6
591.35681	7.7
697.35040	2.9
796.90588	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.6
65.03925	2.5
67.05499	81.3
67.05862	4.0
69.03416	10.0
69.07063	27.6
69.27949	5.3
69.28358	2.9
71.04977	5.6
73.02896	2.1
75.40371	1.8
77.03886	2.0
79.05484	61.2
80.05823	2.4
81.03404	8.2
81.07048	83.8
83.04965	9.0
83.08627	14.1
85.02890	5.4
85.06515	3.4
86.09694	2.1
91.05471	43.1
93.07034	70.4
95.04967	15.9
95.08598	53.7
97.02867	4.1
97.06527	12.4
97.10137	3.3
99.08073	3.2
105.04508	3.9
105.07020	40.5
107.04935	5.5
107.08584	40.8
109.06507	6.3
109.10138	20.9
111.08070	3.4
113.05972	2.0
115.05410	2.2
117.06987	17.5
119.08573	27.0
121.06475	3.0
121.10134	28.7
123.08063	4.5
123.11661	6.7
125.09607	5.0
127.03902	3.0
129.05446	3.2
129.06973	6.8
131.08551	24.0
133.06512	1.8
133.10126	25.4
135.08035	3.9
135.11682	19.0
137.09583	3.1
137.13188	2.1
142.07735	2.1
143.08525	7.1
145.10092	22.5
147.11674	14.9
149.09592	9.7
149.13226	11.6
151.11168	3.0
155.08557	2.3
157.10062	3.9
159.11673	14.8
161.13235	5.0
163.11163	4.4
163.14873	1.9
169.10135	2.8
171.11674	4.8
173.04381	3.6
173.13248	8.3
175.14845	3.5
177.12672	2.7
183.13188	1.7
184.07317	4.4
185.13249	5.4
187.14821	2.6
189.16411	2.7
195.11731	1.9
195.13782	3.2
197.13228	2.7
199.14815	2.3
213.14673	1.8
219.17500	2.1
222.02782	1.9
227.12718	4.4
227.17940	1.9
229.14360	2.7
229.19424	2.0
239.17899	4.7
243.21033	2.9
255.15915	6.4
257.19016	8.2
261.22107	10.3
267.15909	2.5
269.17432	22.6
275.20099	22.2
277.21649	2.1
309.20761	4.4
317.24783	3.6
331.22562	2.2
335.25775	100.0
336.26102	4.5
349.23651	25.0
367.24982	3.5
489.35736	2.2
515.37335	12.1
529.38849	63.6
530.39209	3.8
569.41913	10.0
609.45074	24.2
627.45746	7.2
769.06531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16067	1.7
61.02916	2.0
61.20439	1.6
65.03950	2.5
67.05499	65.9
69.03426	5.3
69.07066	21.9
69.16520	4.4
69.16938	7.2
71.04977	2.1
73.02905	2.1
77.03925	1.8
79.05486	66.1
81.03432	3.4
81.07048	60.4
83.04977	6.3
83.08609	17.6
85.02882	4.1
85.06531	2.7
91.05468	35.4
93.07032	50.5
95.04963	8.4
95.08012	3.6
95.08595	45.3
97.02879	3.4
97.06530	5.6
97.10158	36.5
98.23425	3.4
99.08061	2.7
100.15483	1.7
105.04504	1.8
105.07017	33.7
107.04951	3.1
107.08583	66.5
109.06512	6.6
109.10136	22.7
111.08089	2.5
115.05406	2.4
117.06969	10.7
119.08568	22.9
121.10117	22.3
123.11691	6.6
125.09609	31.8
127.03881	2.8
129.07004	4.6
130.07774	1.7
131.08571	14.6
133.10107	21.5
135.08034	5.1
135.11655	16.6
137.09592	1.7
137.13289	2.2
143.08534	5.4
145.10109	19.5
147.11671	15.0
149.09645	5.7
149.13248	6.8
153.09097	2.5
155.08508	2.2
155.10704	1.8
157.10112	5.5
159.11691	11.8
161.13264	7.2
163.11240	2.0
171.11659	5.8
171.98717	1.7
173.13268	6.1
175.14836	1.9
183.11681	2.3
184.07373	3.0
185.13307	2.1
185.66919	1.7
187.14792	2.4
189.11221	18.9
219.17514	2.3
227.12741	41.7
239.17867	2.5
241.19518	3.4
243.20993	4.2
245.13991	2.3
257.18921	8.5
259.20505	5.5
261.22086	16.9
275.20065	39.7
277.21460	3.0
293.21115	2.7
331.22632	5.3
333.24179	6.8
335.25754	100.0
336.26221	3.3
349.23672	45.4
351.25204	3.0
383.48764	1.8
389.17932	3.6
431.31152	2.5
487.33969	3.6
505.35266	20.6
609.45062	85.5
610.44922	8.2
627.45984	13.6
649.39124	5.1
825.47260	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	82.4
69.07069	27.2
79.05495	82.2
81.07046	76.6
90.53133	19.5
91.05479	38.3
93.07031	93.4
95.08607	67.9
105.07025	64.1
107.08595	57.5
109.10160	25.0
117.07021	25.4
119.08539	31.3
121.10173	21.7
133.10185	22.7
135.11705	32.9
137.09128	20.6
147.11734	28.1
153.57797	21.0
159.11742	28.6
161.13239	29.0
202.81760	20.5
263.28894	21.2
275.20056	66.2
318.63034	18.7
335.25775	100.0
349.23651	37.1
388.49301	20.1
609.44727	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	4.0
64.72107	2.2
65.03929	5.2
67.05498	77.4
67.20332	2.3
69.03409	3.2
69.07062	26.1
72.12312	2.5
77.03901	3.7
79.05488	67.8
81.03436	3.2
81.07050	68.4
83.05014	3.8
83.08610	12.5
85.02889	4.2
85.06518	3.4
86.09713	3.9
91.05473	77.0
92.05875	2.4
93.07037	66.8
95.04973	12.1
95.08596	54.4
96.45151	2.6
97.02890	2.8
97.06523	4.1
97.10161	5.4
98.22620	5.1
105.04532	5.2
105.07023	65.4
107.08592	35.9
109.06506	4.5
109.10123	15.9
115.05444	5.8
117.07014	31.1
119.08572	48.0
121.10129	28.9
123.11667	3.0
128.06213	6.2
129.06995	23.0
130.07806	4.2
131.08551	40.1
133.10106	35.1
135.11662	13.6
137.09602	2.5
141.06972	8.6
142.07794	6.1
143.08536	23.1
145.10097	34.8
147.11664	23.7
147.22855	2.7
149.13222	4.9
155.08530	16.7
157.10133	20.7
157.81511	2.5
159.11661	25.8
161.13260	11.1
163.14812	3.9
166.07832	2.7
167.08611	5.0
168.09367	2.3
169.10083	15.8
171.11662	19.3
172.11977	2.9
173.13290	12.7
175.14813	4.1
179.08522	3.3
181.10133	13.8
183.11644	16.9
184.07336	11.6
185.13231	12.0
187.14821	7.0
195.11699	10.3
197.13275	11.9
199.14815	8.8
201.16338	4.4
207.11607	2.9
209.13203	9.9
211.14851	7.4
213.16400	3.0
221.13284	3.8
223.14809	7.4
225.12703	3.5
225.16374	5.1
229.19365	2.7
235.14801	3.2
237.16380	3.8
239.17967	4.8
241.19679	4.2
257.19009	5.8
259.20590	6.3
273.91873	2.5
333.24277	8.4
335.25974	4.2
337.25253	4.2
349.24860	2.5
365.28229	4.3
501.35468	3.6
517.40332	11.7
529.38885	2.9
535.41101	6.0
539.37537	2.9
591.43506	9.3
609.35040	5.2
609.45074	100.0
610.45197	6.1
620.61438	2.4
771.50293	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	825.4
Annotation	Vincristine
Peak:m/z	Relative Intensity
59.04979	0.8
61.02926	1.0
65.01496	0.7
65.03945	0.8
67.05499	8.6
68.05830	1.7
69.03425	1.7
69.07073	1.9
71.05000	1.5
71.41583	0.9
73.02920	1.0
75.73129	0.7
77.85896	0.6
79.05477	4.5
81.03416	6.0
81.07048	5.9
82.03757	1.0
82.07381	0.7
82.40622	0.8
83.04994	2.4
83.08629	2.7
85.02883	3.2
85.06503	0.7
91.03971	1.1
91.05462	4.9
92.05836	0.9
93.07024	3.3
95.04961	3.3
95.08625	2.6
96.08934	1.0
97.02897	1.2
97.06533	1.1
97.10168	1.6
105.07002	3.2
107.04978	1.5
107.08611	1.9
109.06545	1.4
109.10143	4.4
110.10503	0.7
111.04466	0.7
111.08067	1.1
117.07012	1.0
119.08596	1.9
121.06507	1.1
121.10133	1.6
125.09663	0.9
129.06999	1.2
131.08582	1.2
133.06540	0.7
133.10123	1.4
134.10374	0.7
135.11713	1.4
138.06248	0.8
147.11710	1.1
155.10619	0.7
157.10133	1.5
163.11163	1.3
173.11774	0.7
175.11203	1.2
178.41771	0.7
184.07323	1.1
185.04247	1.4
193.12265	2.3
194.12613	0.9
201.27643	0.6
211.13240	1.9
212.13673	0.7
227.12802	0.9
229.14372	2.2
230.14624	1.2
243.08411	1.1
267.15945	2.0
268.16394	0.8
281.13699	1.8
283.15195	0.8
285.10187	1.3
285.16858	1.0
286.17194	0.8
288.72275	0.7
301.09082	1.4
301.16443	0.9
301.38779	0.8
385.18066	1.2
429.16571	0.7
440.27103	0.9
455.18909	0.8
485.16550	1.1
499.21655	2.7
517.20416	1.8
533.98181	0.8
599.36053	1.4
610.36505	1.6
613.30286	0.8
655.28687	4.6
656.28485	0.7
681.28918	1.4
721.37854	1.3
739.35077	4.5
747.38684	0.8
825.40338	100.0
826.40424	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	825.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03767	0.6
61.02914	5.1
67.05496	6.4
68.05810	0.7
69.03435	2.4
69.07063	2.3
71.04996	2.2
73.02911	3.7
78.67900	0.6
79.05488	5.5
80.05872	0.8
81.03401	7.3
81.07044	5.2
83.04990	2.2
83.08614	3.6
85.02888	5.7
86.09711	3.7
91.03965	3.2
91.05480	5.8
91.38392	0.6
92.05824	0.7
93.07040	4.9
95.04969	3.4
95.08614	2.3
97.02888	5.1
97.06544	1.6
97.10190	0.8
99.04465	1.4
101.02389	1.8
105.07059	2.9
107.04941	0.7
107.08594	3.2
108.98374	0.7
109.02889	1.0
109.06525	0.9
109.10178	2.2
111.04454	0.7
111.08104	1.3
117.06988	1.0
119.08624	3.1
121.06558	0.9
121.10159	2.8
125.00037	2.6
125.09676	1.0
127.03914	1.9
129.05499	0.9
129.07011	1.3
131.08580	2.2
133.10153	2.3
135.08040	1.1
135.11758	1.9
137.09634	0.6
147.11742	1.8
149.09637	2.6
151.11209	0.7
157.10216	1.7
163.11221	0.7
175.11209	2.0
177.59422	0.6
181.04793	0.9
184.07341	10.4
185.04265	2.0
185.07724	1.0
193.12349	2.4
203.91782	0.6
209.11694	0.9
221.11572	1.0
241.58545	0.7
243.08403	7.4
255.15977	0.9
265.14154	1.1
267.15948	2.4
283.15182	6.7
284.15680	0.9
301.08914	7.9
309.16776	1.2
315.10394	3.3
323.18509	1.5
339.17941	1.0
357.15240	0.8
369.15359	1.8
371.16776	1.2
373.11246	2.9
381.19077	1.9
385.18539	2.2
395.20612	0.9
399.20178	1.1
422.26053	0.7
427.19562	2.6
429.17145	1.0
439.19302	8.0
443.19232	1.0
451.19717	1.9
465.28275	1.2
466.28244	0.8
467.19186	1.6
469.20474	2.2
483.22202	0.8
499.21545	1.7
501.23016	26.1
502.23453	0.9
529.22577	4.7
537.31006	0.9
565.26172	1.0
573.25256	8.6
587.26941	2.0
592.35956	0.8
601.28448	1.9
615.30231	1.9
629.31293	6.4
643.33185	1.5
672.35406	0.9
699.35468	13.8
700.36182	1.1
711.35468	4.4
712.35205	0.8
727.35333	4.5
728.35773	36.5
729.36377	3.5
825.42316	100.0
826.42291	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	825.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89763	0.8
59.04996	1.1
61.02921	4.8
67.05500	15.0
68.05842	1.2
69.03423	3.8
69.07073	4.0
71.04994	3.3
71.78466	0.9
73.02922	3.6
79.05480	9.8
81.02950	1.3
81.03415	12.1
81.07047	9.2
83.04981	2.9
83.08596	3.9
83.92029	0.8
85.02893	8.4
87.04438	0.9
91.03960	3.1
91.05466	8.7
92.05801	1.5
93.07041	6.1
95.04958	4.5
95.08589	4.9
95.65230	0.8
97.02876	5.7
97.06544	1.7
97.10168	1.1
97.41766	0.7
98.22586	1.2
99.04449	1.6
101.02384	2.6
102.39938	0.8
105.07014	6.0
106.11600	0.7
107.04954	1.7
107.08547	4.5
109.02897	1.7
109.06535	1.1
109.10147	9.3
110.10481	1.2
111.08114	2.1
117.07025	2.2
119.08563	4.4
120.08924	0.9
121.06508	1.8
121.10163	3.5
122.06762	0.8
123.08120	0.8
125.09663	2.0
127.03928	2.1
129.05525	0.9
129.07040	2.5
130.07431	1.0
131.08615	3.3
133.06473	1.1
133.10127	4.5
135.08099	1.4
135.11832	0.9
137.09712	1.2
145.10156	2.0
146.04086	1.0
147.08098	1.0
147.11711	2.4
148.12062	0.7
149.09651	3.4
155.10669	0.9
157.10114	1.9
159.11841	0.8
163.11238	1.9
173.11761	1.6
175.11194	2.1
191.10738	1.1
193.12241	4.5
194.12648	1.8
209.11838	1.0
211.13322	2.9
212.13725	1.9
228.86768	0.8
229.14444	3.7
230.14896	1.0
241.06966	0.9
243.08574	3.4
267.15909	4.4
268.16202	1.9
283.15152	6.3
285.16904	2.0
286.17569	0.9
301.09027	2.1
301.16733	1.6
309.16916	0.9
339.17819	1.0
347.18329	2.4
379.20868	1.4
381.18777	1.0
385.18457	1.8
413.17563	5.2
427.19730	1.2
439.26871	1.4
440.27505	1.6
467.19073	0.9
469.20847	3.0
501.23007	14.5
511.29111	1.0
515.27411	1.1
529.22852	2.4
547.25555	0.8
565.26324	3.4
573.25568	2.2
597.28638	1.7
610.36572	2.5
641.31763	2.9
646.43555	1.1
658.64624	0.9
673.34015	22.1
674.34424	1.8
695.32477	1.4
721.37299	1.6
779.38409	0.9
807.41394	3.6
825.42053	100.0
826.42358	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	825.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.9
65.39334	1.2
67.05504	9.2
69.03425	2.9
69.07073	3.0
69.72042	1.4
69.72388	4.4
79.05478	9.6
81.07059	10.7
83.08627	2.2
85.02922	2.6
86.09708	1.8
91.03961	1.7
91.05481	6.6
93.07041	7.5
95.08602	5.4
97.02887	3.0
97.06564	1.6
97.10183	2.4
98.23438	1.4
101.02368	1.6
105.07056	4.3
107.08604	5.4
109.10181	2.8
119.08614	3.4
121.10159	3.7
125.09646	2.9
127.15337	1.3
132.53896	1.4
133.10118	2.4
135.11745	1.9
137.09528	1.3
145.10194	2.1
147.11732	2.0
149.13219	1.9
159.11658	1.8
184.07414	2.0
261.22281	1.5
275.20001	3.0
276.20575	2.0
329.17224	13.0
335.25867	7.5
336.26093	6.1
349.23837	3.1
350.23874	2.9
519.29492	1.8
547.25696	2.1
609.44904	1.6
610.45190	9.9
653.70721	1.3
825.47485	100.0
826.48206	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	825.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.7
64.85134	0.7
67.05502	8.9
69.03429	2.5
69.07062	5.4
71.01373	1.0
71.08630	0.8
73.02902	4.0
79.05487	5.3
79.71758	0.6
81.03431	2.6
81.07048	7.3
81.26112	0.6
83.04979	0.9
83.08613	1.5
85.02899	4.4
86.09723	1.6
91.03968	1.8
91.05473	6.6
93.07040	5.1
93.74067	0.7
95.01334	1.1
95.04976	2.4
95.08599	5.0
97.02892	3.9
97.06530	1.7
97.10183	1.0
101.02380	1.6
101.35551	0.7
105.07020	8.8
107.04964	2.2
107.08600	2.0
109.10126	3.2
117.07023	2.1
119.08575	4.3
121.06479	0.9
121.10159	0.9
123.08086	0.8
131.08571	3.0
133.10138	3.7
135.11650	1.6
136.18719	0.6
145.10159	2.0
147.11708	1.2
149.09607	1.5
149.13254	0.8
159.11661	1.4
161.13274	1.0
163.11209	0.8
173.13246	0.8
179.14323	1.8
180.90213	0.7
184.07390	2.8
205.71516	0.7
229.14409	2.7
243.08507	2.9
275.20013	1.2
313.27530	2.2
315.19244	6.4
331.85962	0.7
371.22028	2.7
467.37476	2.1
533.27118	18.1
534.27887	1.0
594.02545	0.7
825.47449	100.0
826.47644	10.6
836.75397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	8.7
62.56699	2.0
67.05499	42.4
69.07081	3.1
70.67958	3.0
70.68313	2.0
71.08622	12.9
81.07047	13.0
81.99104	1.9
83.08615	6.9
85.02896	10.0
85.10176	8.1
88.89365	2.1
91.03961	3.8
91.05489	3.1
95.08595	12.8
97.02935	3.4
99.77561	1.9
109.10149	50.8
119.08555	2.9
127.03925	3.5
137.09653	4.2
145.04909	3.1
155.10680	5.9
163.06007	2.4
173.11758	15.1
229.14330	100.0
302.04224	2.2
313.27332	75.2
467.37268	65.8
468.37540	3.7
555.40582	2.5
586.39600	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27464	0.8
61.02922	6.9
67.05498	9.4
69.03420	4.8
69.07045	1.2
69.73151	2.0
70.06568	1.3
71.04988	13.2
72.05322	1.4
79.05484	4.0
81.03412	3.3
81.07056	5.1
83.04949	0.8
83.08601	2.4
84.01860	1.1
84.08150	1.0
85.02897	6.5
91.03951	4.9
91.05450	2.8
93.07034	3.3
95.01089	1.7
95.04932	1.4
95.08592	1.3
96.01864	1.2
96.08130	1.3
97.02897	8.4
98.23377	1.8
99.04417	1.4
101.02369	1.4
105.06980	1.5
107.08556	1.4
108.41421	1.0
109.02789	1.4
109.10162	8.4
119.08548	1.8
123.04150	1.2
125.09597	1.3
127.03895	3.2
129.05446	2.0
135.11678	1.3
139.03627	1.3
155.10590	1.0
156.03828	1.0
157.04695	1.1
158.05571	0.8
158.08083	1.2
163.11102	1.5
173.11702	3.3
176.81627	0.9
181.04729	5.9
184.07280	1.6
185.04170	8.2
195.09924	3.2
201.03685	3.3
207.13548	1.0
221.11488	3.9
227.05244	2.2
229.14305	3.1
241.06871	2.5
243.08379	5.8
249.10939	1.0
251.12538	2.0
265.14063	4.1
275.19965	0.8
293.13504	2.5
301.08914	33.1
302.09113	1.0
311.14578	2.6
313.08817	1.0
315.10477	5.7
317.08368	1.7
327.10431	1.5
329.12079	1.6
339.14236	2.6
341.12030	2.0
343.13553	1.2
355.13672	1.3
360.10083	2.6
369.15094	2.2
371.16531	1.0
373.11011	9.7
377.22824	2.7
383.16638	2.3
385.18323	16.9
387.12677	2.3
395.24185	1.1
401.13965	1.4
413.17789	22.9
415.15677	1.8
429.17419	7.7
439.19321	1.9
443.18494	2.8
444.19650	2.2
455.18710	1.1
457.20505	4.1
467.18784	1.7
469.20547	1.3
473.19757	2.1
485.19647	11.8
499.21310	4.3
511.21661	1.3
513.23004	4.1
527.21143	3.7
540.60547	1.2
555.27582	5.9
557.21442	1.4
569.29004	1.8
573.20734	1.4
585.29065	1.0
595.30627	2.1
597.28918	1.2
599.30347	5.1
611.30603	5.1
623.30695	1.1
627.29089	1.2
639.29724	10.6
640.29901	1.7
641.31030	1.2
657.30786	100.0
658.30804	6.7
667.32208	1.5
683.32446	5.4
685.33020	3.4
713.33008	2.5
723.37531	5.4
729.32825	5.0
737.40210	1.3
741.34845	4.2
781.38446	1.1
791.39191	1.3
827.37231	13.0
827.50476	3.7
853.91187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.8
67.05515	10.9
69.03427	4.6
69.07077	2.0
71.04987	14.0
72.75784	1.4
73.02924	5.6
77.62399	1.5
78.22109	1.2
79.05489	4.2
79.80699	1.4
81.03413	3.3
81.07057	6.1
82.79973	1.4
83.04994	2.4
85.02905	8.0
87.04494	1.2
91.03954	5.0
91.05488	4.2
93.07040	4.5
95.04977	3.6
95.08581	3.2
96.08147	1.8
97.02896	6.0
101.02390	2.9
105.07066	1.5
107.08576	2.2
109.02872	2.2
109.10136	8.2
109.66322	1.4
119.08632	1.9
121.10120	1.7
127.03938	2.4
129.05470	2.7
131.00116	1.7
135.11674	2.5
145.10052	1.9
163.11137	3.0
173.11789	1.8
181.04726	2.4
184.07364	2.6
185.04153	8.7
194.52518	1.8
195.09836	2.1
195.68935	1.7
199.05775	1.7
201.03734	3.5
243.08481	5.8
249.02315	1.5
251.12480	2.1
293.13501	2.2
301.08920	14.9
314.92996	1.6
315.10437	5.8
341.11880	1.5
355.13742	2.5
365.16077	1.8
373.11026	8.5
383.16394	1.9
385.18311	13.2
413.17905	14.6
427.19040	2.4
429.17307	4.1
439.19342	2.6
455.19080	3.1
457.20499	3.4
465.83624	1.5
467.18915	7.5
468.57578	1.5
469.20309	2.1
485.19559	5.2
497.19855	3.5
498.20673	1.6
511.21085	2.8
517.20020	1.9
526.27008	1.4
539.21307	3.1
581.29279	8.9
582.29138	2.3
599.30084	6.1
611.30255	3.5
639.29633	15.6
641.30786	1.8
651.28839	3.9
657.30347	38.0
658.30273	2.4
683.32025	5.4
685.33203	2.3
723.37347	25.6
729.33191	2.9
741.34552	100.0
742.34808	7.7
781.37903	2.0
809.39392	4.4
827.37482	37.3
828.39984	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	827.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.8
67.05515	10.9
69.03427	4.6
69.07077	2.0
71.04987	14.0
72.75784	1.4
73.02924	5.6
77.62399	1.5
78.22109	1.2
79.05489	4.2
79.80699	1.4
81.03413	3.3
81.07057	6.1
82.79973	1.4
83.04994	2.4
85.02905	8.0
87.04494	1.2
91.03954	5.0
91.05488	4.2
93.07040	4.5
95.04977	3.6
95.08581	3.2
96.08147	1.8
97.02896	6.0
101.02390	2.9
105.07066	1.5
107.08576	2.2
109.02872	2.2
109.10136	8.2
109.66322	1.4
119.08632	1.9
121.10120	1.7
127.03938	2.4
129.05470	2.7
131.00116	1.7
135.11674	2.5
145.10052	1.9
163.11137	3.0
173.11789	1.8
181.04726	2.4
184.07364	2.6
185.04153	8.7
194.52518	1.8
195.09836	2.1
195.68935	1.7
199.05775	1.7
201.03734	3.5
243.08481	5.8
249.02315	1.5
251.12480	2.1
293.13501	2.2
301.08920	14.9
314.92996	1.6
315.10437	5.8
341.11880	1.5
355.13742	2.5
365.16077	1.8
373.11026	8.5
383.16394	1.9
385.18311	13.2
413.17905	14.6
427.19040	2.4
429.17307	4.1
439.19342	2.6
455.19080	3.1
457.20499	3.4
465.83624	1.5
467.18915	7.5
468.57578	1.5
469.20309	2.1
485.19559	5.2
497.19855	3.5
498.20673	1.6
511.21085	2.8
517.20020	1.9
526.27008	1.4
539.21307	3.1
581.29279	8.9
582.29138	2.3
599.30084	6.1
611.30255	3.5
639.29633	15.6
641.30786	1.8
651.28839	3.9
657.30347	38.0
658.30273	2.4
683.32025	5.4
685.33203	2.3
723.37347	25.6
729.33191	2.9
741.34552	100.0
742.34808	7.7
781.37903	2.0
809.39392	4.4
827.37482	37.3
828.39984	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	827.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62232	0.6
61.02930	2.2
67.05496	3.5
69.03425	0.9
69.71060	2.3
70.06574	0.7
71.04986	1.0
71.64509	0.6
71.95241	0.7
73.02923	1.5
79.05482	2.0
80.04669	0.7
81.03429	2.3
81.07054	2.4
83.08608	1.0
85.02890	1.5
88.08628	0.6
91.05476	1.7
93.07045	1.6
95.04967	1.4
95.08624	0.8
97.02879	1.2
101.02365	0.8
105.07038	0.8
109.10172	1.6
121.10167	1.0
127.03910	0.8
129.07169	0.6
131.08583	0.7
145.10100	1.0
185.04218	1.4
190.29121	0.7
243.08450	1.2
267.09082	2.3
267.15979	0.9
294.87305	0.8
301.08997	2.0
304.19019	0.8
385.18073	0.9
407.58276	0.6
413.17966	2.4
439.19250	1.1
443.19226	0.8
485.17282	1.2
501.23361	3.2
504.01422	0.7
517.20856	1.4
529.22809	1.2
551.28802	0.8
573.24908	0.9
613.33502	0.7
639.29889	5.9
657.30780	3.7
723.38922	4.4
725.36859	1.5
737.36041	0.7
741.36560	1.9
749.40997	2.0
827.41809	100.0
828.42310	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	827.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	6.0
67.05495	6.2
69.03413	3.2
69.05302	9.5
69.07086	1.6
71.04987	13.8
74.09269	1.2
75.89737	1.3
79.05477	4.8
81.03435	2.8
81.07052	4.7
84.08161	1.5
85.02900	5.6
86.09694	2.2
90.10605	1.3
91.03931	2.9
91.05451	3.0
93.07037	3.8
95.08607	1.9
97.02879	4.8
97.10162	1.9
98.97509	1.4
101.02335	1.5
105.07018	2.7
107.08595	2.5
109.10144	5.7
114.45190	1.3
125.00060	1.3
125.09617	1.7
127.03922	1.4
133.10170	1.1
135.11601	1.3
147.16302	1.3
158.08136	2.1
173.11734	1.9
181.12187	1.4
184.07330	3.6
185.04247	3.8
218.37315	1.3
243.08415	3.7
285.09976	2.1
297.79251	1.3
301.08936	4.4
315.10635	2.0
373.11111	2.2
385.18332	3.8
402.29010	1.4
413.17603	9.2
427.19556	2.1
429.06726	1.5
429.17197	2.0
467.18811	2.9
485.19504	3.2
511.20926	2.2
517.20197	2.0
581.29065	1.7
599.29858	4.2
611.30225	1.7
639.29883	12.9
657.29962	25.8
683.31506	3.2
723.37219	21.5
724.37384	2.5
729.33215	3.8
740.32373	1.8
741.34448	100.0
742.34772	10.3
775.99042	1.6
781.37549	3.6
809.39624	7.3
826.48163	2.6
827.38812	32.9
828.41101	2.8
849.01233	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.8
61.02917	3.4
67.05493	3.7
69.03418	3.4
69.07071	2.6
70.06607	0.7
71.01349	0.6
71.04993	2.3
73.02892	3.3
79.05490	4.7
81.03407	5.4
81.07057	3.0
83.04983	1.4
83.08630	1.3
85.02888	4.4
86.09723	1.1
86.24342	0.6
87.04477	0.6
91.03976	2.5
91.05466	3.7
93.07033	2.9
95.04986	1.9
95.08614	2.1
97.02885	4.2
97.06537	2.4
101.02396	1.7
105.07038	2.9
107.04946	0.7
107.08614	2.2
109.02911	0.8
109.10162	1.2
115.03943	0.7
119.08594	2.4
121.10172	1.6
125.00043	0.7
127.03954	1.2
129.06981	1.0
131.08592	1.9
133.06575	0.6
133.10129	1.3
137.13441	0.5
145.10109	0.8
147.11690	1.9
149.09680	1.9
157.10179	0.8
175.11287	1.0
184.07399	2.1
185.04272	0.8
186.68663	0.6
193.12256	1.8
199.44667	0.6
203.05156	0.6
225.14893	0.9
243.08354	2.7
255.77679	0.5
275.08035	0.6
283.15314	1.9
301.09042	0.7
319.18643	0.6
349.19827	4.5
405.22687	0.9
413.17804	0.9
429.16870	0.7
439.19519	1.3
453.20880	0.9
469.20578	0.7
501.11588	0.7
501.23032	11.9
502.23523	0.8
567.27881	6.9
573.25031	0.8
585.29236	0.7
641.90820	0.7
820.04553	0.6
827.43823	100.0
828.44391	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	827.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.4
61.02926	6.2
61.91271	0.8
63.71905	0.9
66.38132	0.8
67.05503	7.2
69.03432	4.7
69.07063	1.9
70.66039	1.3
71.05003	2.4
73.02913	5.4
79.05504	3.8
81.03411	4.5
81.07066	3.8
83.04991	1.4
83.08625	2.0
85.02892	8.1
91.03951	3.9
91.05474	4.4
93.07048	2.6
95.05015	2.3
95.08624	2.2
97.02900	7.8
97.06539	1.1
99.04460	0.9
101.02391	2.6
103.03975	0.8
105.07069	1.4
107.08605	2.6
109.02883	1.3
109.10152	4.0
111.08094	1.0
117.05556	1.3
119.08561	1.3
121.10158	2.2
127.03966	1.7
127.11275	0.8
129.05501	1.4
129.07045	0.8
131.08569	2.1
133.10178	1.1
135.11742	0.9
139.32300	0.9
145.10156	1.3
147.11780	1.1
149.09648	2.6
157.10132	1.4
173.11740	1.5
175.11218	1.1
185.04272	3.6
193.12231	2.1
201.03799	1.2
203.05382	0.9
207.13716	1.2
211.13092	0.9
223.13390	1.5
233.11528	1.1
243.08344	5.8
248.58775	1.0
265.14349	1.6
267.15915	2.0
283.15140	12.6
301.08865	12.1
309.16760	2.0
313.09009	1.2
315.10565	2.3
323.18445	3.5
331.26361	0.8
339.17990	1.3
341.12186	1.6
343.14056	0.9
357.15234	1.1
369.15237	1.1
373.10950	4.3
381.18701	6.1
385.18243	8.1
399.20120	2.3
413.17749	5.2
427.19452	7.3
429.17270	2.3
439.19357	5.2
441.20935	1.3
457.19904	1.1
465.28357	3.8
469.20303	4.3
481.20407	6.0
483.22067	2.8
499.21805	3.3
501.23099	29.4
502.23404	1.2
511.29022	2.1
516.22650	0.9
517.22449	1.2
529.22522	11.4
545.22369	1.3
549.26849	1.3
551.28082	1.1
573.25092	11.7
583.30542	1.1
587.26727	2.3
601.28497	2.0
613.31854	2.3
615.30206	2.2
629.32159	1.3
639.30243	2.1
643.14642	1.0
643.32959	3.1
657.30188	4.3
667.33130	1.0
673.34314	4.7
683.30676	3.1
699.35406	10.6
703.19507	1.1
723.39154	12.2
724.40082	1.8
739.37933	1.0
741.23199	1.9
741.36530	40.0
742.37177	3.4
806.67725	0.9
809.42725	3.7
827.43762	100.0
828.44165	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	827.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	7.4
67.05476	8.8
68.26261	4.1
69.07064	5.6
71.43060	4.5
73.02940	4.1
79.05485	9.6
81.24241	4.1
85.02895	4.8
91.03934	5.7
91.05460	8.6
93.07019	9.7
94.30164	4.1
97.02882	6.1
105.07038	7.0
109.10137	5.0
131.08630	4.6
139.82129	3.8
145.40749	4.9
147.85411	3.9
164.11115	3.9
183.99487	4.2
184.07324	4.5
243.08366	7.7
315.19412	11.9
329.29553	4.3
450.53760	4.6
533.26984	9.0
535.28400	13.5
827.48950	100.0
828.48370	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	828.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	11.2
65.59135	2.9
67.05488	3.0
79.05486	8.5
91.05494	13.0
93.03389	6.0
95.04967	17.4
98.23074	17.0
103.05468	6.1
105.07026	6.4
105.62941	2.6
106.04186	5.8
107.04956	12.0
110.03676	9.6
111.04443	11.4
115.05450	6.2
119.04963	5.3
119.08617	3.3
121.02879	6.6
121.06492	7.8
123.04398	15.1
124.05185	4.3
125.05989	12.3
129.07054	7.1
131.04933	6.6
133.06517	10.0
135.04422	3.6
136.05225	2.9
137.05986	22.5
140.04794	4.3
140.39023	2.7
145.06491	5.3
147.04420	4.8
149.05981	6.3
151.03929	6.8
151.07494	15.7
152.04716	2.8
153.01848	6.8
153.05457	43.3
155.04903	3.3
155.07033	5.7
159.08061	12.3
161.05960	13.7
163.03874	4.1
163.07500	4.8
165.05486	4.9
167.07021	99.8
168.07274	3.3
169.39630	2.9
172.05176	5.1
175.07553	19.2
176.17567	2.6
177.05493	5.3
179.07005	6.6
179.08488	3.7
181.04953	10.4
181.06480	3.0
181.08519	2.5
183.06506	7.2
187.07512	24.8
191.07019	13.3
191.08559	4.9
193.08545	5.9
195.08012	5.5
199.07588	10.0
203.08566	3.0
209.08047	5.7
216.07680	3.9
217.08595	3.6
218.07350	5.5
219.08032	7.3
221.09666	5.0
223.07516	3.7
224.08316	4.0
225.07603	8.0
231.08070	3.4
234.06633	4.3
235.07576	4.5
236.08325	4.8
237.09129	4.8
247.07422	5.3
248.08293	5.3
249.09062	8.3
250.09959	3.7
251.10692	6.3
252.07806	3.0
253.08650	7.0
261.09073	4.3
262.06204	3.0
263.06970	6.7
264.07715	5.5
265.08615	9.4
266.09503	4.0
267.10251	5.1
275.07202	4.8
276.07733	3.9
277.08694	5.4
279.10117	6.7
281.08463	5.0
281.11716	11.1
282.08792	3.4
283.09869	4.4
289.08527	4.7
291.10172	3.6
294.08835	3.4
295.09665	5.4
297.11139	4.0
307.09540	8.4
307.12845	2.9
309.11121	9.4
311.12769	6.8
319.09348	3.8
321.11304	5.6
325.10565	19.9
327.12134	6.9
329.13757	7.6
337.10651	17.5
339.12207	53.2
340.12851	5.6
341.13785	42.6
351.12250	11.8
353.13828	14.7
355.11755	100.0
356.12115	4.1
357.13272	38.3
367.11896	5.0
369.13324	11.3
371.14786	4.9
383.14859	6.1
393.13092	2.9
462.78516	3.1
479.10593	3.0
499.17108	4.9
517.18463	8.0
545.58417	2.7
565.20557	7.2
681.79510	2.9
828.44702	3.8
828.59082	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27047	11.5
63.63007	9.9
66.34756	11.1
72.62563	11.1
91.05488	15.3
98.22939	76.0
122.67851	10.3
130.45186	11.9
133.02847	16.6
137.05963	21.6
145.06473	11.7
151.07422	12.3
167.07024	100.0
173.05922	11.7
181.04947	34.7
191.07045	26.6
271.59399	12.9
416.14502	23.6
417.15375	22.9
476.54880	10.8
565.20563	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	4.0
66.73811	2.1
69.10663	15.6
79.05479	3.7
81.03412	4.1
85.02884	2.4
91.05468	8.0
93.07040	2.3
95.04961	5.3
103.05422	5.2
105.07051	2.8
107.04946	7.9
109.06454	2.2
111.04427	2.6
115.05437	5.7
117.06969	10.8
119.04895	4.7
121.06487	4.2
123.04425	4.6
125.05966	3.4
127.87829	2.4
131.04950	8.5
133.02831	12.0
133.06512	3.8
137.05977	12.5
145.06491	14.0
147.04388	5.3
148.05244	2.3
149.05978	7.3
151.03889	4.1
151.07558	6.1
153.05440	4.2
159.08060	2.7
160.05162	4.1
161.05957	7.6
163.07521	4.4
165.05489	5.5
166.06284	2.5
166.50893	2.2
167.05571	5.1
167.07014	100.0
173.05952	20.8
175.07559	9.2
177.08986	2.5
181.04927	51.4
187.07446	3.0
188.08394	2.5
189.08910	3.0
191.06966	19.3
203.07114	11.3
205.06836	2.8
205.08524	11.9
217.08649	2.8
219.10033	2.6
233.08070	7.2
235.09691	6.7
241.08545	2.7
247.09779	6.2
250.16292	2.7
297.11172	2.5
327.12289	4.8
329.10034	5.6
357.13412	3.3
381.13376	2.5
385.12976	5.5
387.14154	4.2
415.14243	3.0
416.14636	22.5
417.15302	49.6
565.20685	81.3
566.20740	7.6
715.26392	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.342
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.3
74.51469	1.6
74.90980	2.0
75.30220	1.7
79.05484	3.2
81.03423	4.6
91.05465	7.9
95.04959	5.9
103.05463	6.6
107.04945	7.1
111.04404	2.0
115.05420	3.7
117.07012	9.6
117.79922	2.0
119.04942	2.9
121.06494	4.3
123.04432	5.7
124.05176	2.3
131.04935	6.0
132.05669	2.2
133.02840	8.2
133.06429	2.4
137.05974	8.1
145.06459	13.2
147.04359	4.1
148.05190	4.2
149.05937	2.8
151.07510	3.7
153.05449	4.6
155.06003	3.9
159.47353	2.0
161.06021	3.3
163.07552	2.8
165.05487	6.2
166.78046	2.1
167.07013	100.0
171.06670	1.9
173.05936	15.3
175.07549	5.2
177.05443	2.0
179.06992	2.4
181.04921	42.0
190.06189	3.3
191.06993	15.8
193.08553	2.3
201.37111	2.2
203.07062	8.6
205.04723	4.2
205.08521	9.1
212.08363	2.0
223.07407	1.9
233.08119	5.5
235.09663	3.2
255.10097	2.6
325.50192	2.1
327.12173	6.0
329.10120	3.5
354.59952	1.9
385.12781	3.9
387.14337	4.0
416.14630	16.4
417.15381	50.2
417.21136	2.5
535.19995	2.3
565.20642	63.0
566.20978	3.4
613.22192	3.9
672.29016	2.0
829.26349	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	829.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	1.0
61.02929	5.6
65.98341	0.5
67.05501	5.9
69.03421	3.4
69.07052	3.3
69.43758	0.5
70.54298	0.9
71.04989	1.6
72.55553	0.5
73.02914	3.7
79.05485	4.9
81.03426	4.7
81.07051	5.9
83.04987	1.3
83.08618	1.5
85.02895	6.5
87.04469	0.6
90.37354	0.5
91.03944	3.3
91.05487	4.3
93.07034	3.6
95.04965	2.7
95.08599	2.0
97.02894	5.8
97.06544	0.7
97.10146	1.3
99.04441	1.3
101.02381	2.1
105.07018	3.1
107.04941	0.5
107.08595	2.0
109.02882	1.4
109.06535	1.4
109.10179	1.5
111.08092	1.1
117.07023	0.7
119.08575	1.1
121.10155	2.1
125.09562	0.8
127.03909	2.0
129.07027	0.8
131.08578	1.8
133.10114	2.5
135.11661	0.8
143.10739	0.5
145.10060	0.5
147.11658	1.2
149.09602	1.3
157.10181	1.2
164.59464	0.6
165.12779	0.8
170.93169	0.5
173.11743	0.7
175.11221	0.9
184.07289	0.8
185.04230	1.1
193.12286	2.2
203.05266	0.9
225.14845	0.8
243.08276	3.6
245.50339	0.5
259.51065	0.5
265.27554	0.6
267.15875	1.1
278.13120	0.6
283.15079	3.5
301.09042	1.3
339.17822	1.3
351.21323	2.3
405.13705	0.8
407.23730	0.9
413.17685	1.3
429.17087	0.7
439.19440	1.3
469.20575	2.7
487.21140	0.7
499.21811	0.5
501.23016	15.2
502.23264	0.7
569.29297	10.7
570.29663	0.7
583.30835	0.9
631.25250	0.8
739.38519	4.4
829.45770	100.0
830.46082	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
59.34040	2.1
61.02923	7.2
61.39123	1.7
66.44292	1.6
67.05499	3.7
69.07089	3.1
69.23146	6.2
69.23554	4.6
71.17595	1.8
73.02901	3.8
75.95782	2.0
79.05505	5.6
81.05737	1.8
81.07072	4.1
85.02931	3.5
89.22661	1.8
91.03958	2.1
91.05486	6.0
93.07054	7.5
95.08607	2.9
97.02897	4.6
101.02373	3.8
104.87141	1.9
105.07028	5.4
107.08656	3.3
119.08589	3.6
133.10136	3.0
135.11694	2.7
147.11685	2.1
152.33691	1.9
181.10831	1.7
184.07349	2.6
190.05757	1.9
212.08237	2.0
215.96831	2.2
240.79996	2.0
465.20752	2.4
525.23730	2.5
535.28821	17.7
607.30756	2.9
649.46301	2.2
694.09778	2.0
829.50708	100.0
830.50909	9.1
852.63605	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	831.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35469	0.5
69.50096	1.2
69.50470	1.1
78.28878	0.6
137.05978	0.7
160.81430	0.7
175.03633	1.3
176.04547	0.8
177.05359	1.2
177.07022	0.7
189.05136	0.8
195.29080	0.8
200.81583	0.8
203.03218	1.0
204.03908	0.9
205.04695	75.7
206.05151	1.6
218.05460	11.1
219.06216	1.2
223.05870	0.6
231.06339	1.0
232.07028	8.6
232.08940	0.7
233.07816	0.7
249.07373	1.6
358.85498	0.7
393.09766	0.8
407.11084	1.1
408.11798	0.8
411.24582	0.8
411.30450	0.7
415.13501	7.2
421.12589	2.1
429.15140	11.2
634.20215	4.2
636.22144	0.9
831.28174	100.0
832.28625	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	831.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16022	3.6
69.16434	6.5
111.79511	1.7
137.05927	1.9
175.03654	100.0
176.04105	1.9
204.03995	2.4
240.82187	1.5
377.21408	1.7
438.13049	2.1
439.13675	9.8
453.15131	13.6
467.16858	2.9
483.16269	5.6
605.19922	2.0
617.20667	1.9
635.21356	3.0
636.21350	12.8
637.22845	5.6
831.28290	91.3
832.28210	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	831.283
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49351	1.3
69.49739	1.7
102.46349	0.6
117.35513	0.6
137.06065	0.8
175.03667	1.2
176.04427	0.8
177.05244	0.7
203.03278	1.3
205.04700	70.0
206.05084	2.0
218.05507	11.0
219.06290	1.9
232.07076	8.9
240.47386	0.7
245.07913	0.9
249.07346	1.8
251.86635	0.7
255.28423	0.6
331.71487	0.7
346.06323	0.7
393.09717	1.1
408.11734	0.9
415.13632	7.7
421.12613	2.3
423.14352	0.7
429.15189	9.4
546.75415	0.7
586.97223	0.7
634.20422	3.9
635.20776	1.4
831.28192	100.0
832.28662	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	831.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	8.7
63.33487	1.2
67.05502	8.4
69.03442	3.7
73.02917	7.0
76.73193	1.0
81.03424	1.9
81.07056	2.9
85.02898	7.7
85.10186	1.5
91.03947	6.9
93.07027	2.1
95.08623	2.3
97.02891	7.8
99.04458	1.1
101.02389	2.4
109.02903	2.0
109.10145	8.2
114.70506	1.2
119.08543	1.4
127.03855	2.8
137.97861	1.2
173.11754	3.3
184.07353	1.8
196.95474	1.2
229.14407	1.3
231.10182	1.2
243.08382	3.0
276.08340	1.3
313.27380	1.6
347.09592	4.5
365.10416	2.1
405.13641	8.7
413.17792	14.1
497.30646	7.0
537.30133	1.4
575.22809	11.3
659.35992	7.9
669.41772	2.7
831.46960	100.0
832.47778	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	832.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51057	1.6
69.03427	2.6
81.03412	10.6
85.02884	4.7
95.01295	2.3
97.02900	2.4
99.04454	2.0
103.03929	2.7
103.05477	1.9
109.02851	5.2
123.00770	1.5
131.04924	3.0
142.27505	1.8
147.04422	3.2
153.01848	3.9
155.04935	1.9
157.02802	2.0
159.04463	1.8
161.02336	4.3
163.03903	4.6
165.01811	2.8
171.04446	2.5
173.02350	3.1
175.03873	8.2
177.01791	9.7
179.03339	2.0
183.48979	1.6
185.02338	3.7
187.03853	8.8
189.01752	3.7
191.03358	8.0
193.01259	3.2
195.71368	1.4
197.05939	1.7
199.03786	2.8
201.01831	9.6
203.03383	20.4
205.01367	8.6
205.04956	1.9
213.01814	6.6
213.05423	3.6
215.03394	12.9
217.01334	2.6
219.02788	7.7
223.02325	5.9
224.28261	1.5
229.01375	11.3
229.04900	3.8
231.02850	49.7
233.04356	2.0
239.03522	1.6
241.01277	6.6
241.05037	3.1
243.02867	6.8
245.00818	3.5
245.04477	2.4
247.02306	15.0
255.03011	3.0
257.00821	12.2
257.04385	6.7
259.02362	64.3
260.02734	2.4
261.03961	2.0
269.04572	2.2
271.02448	13.1
271.05389	2.5
273.00400	4.1
273.03952	5.6
275.01883	17.4
275.04822	2.1
276.02591	2.1
277.03412	74.4
277.06479	3.5
278.03687	1.7
279.02872	2.8
281.04453	3.5
283.02390	4.2
285.00290	13.3
285.03860	4.9
287.01825	12.7
287.04764	2.1
289.03232	4.0
291.01288	6.8
295.02441	2.4
297.00769	2.7
297.03833	12.9
299.01849	3.7
299.05710	2.1
301.00055	3.4
301.03421	5.0
303.01315	100.0
304.01669	2.9
307.02316	2.6
309.03873	6.5
311.01837	3.8
312.99789	3.5
313.03445	5.2
315.01315	25.5
315.04666	2.3
317.02817	3.2
319.00888	2.0
321.02429	6.0
323.01788	2.9
325.03461	9.0
331.00888	4.3
333.02328	6.0
335.04150	4.0
337.03360	10.9
339.01221	3.7
341.02982	3.8
343.04568	3.9
345.02411	2.7
349.05420	2.6
351.01038	2.2
353.02841	6.5
355.04370	3.0
359.00052	2.8
359.04163	3.1
363.01373	2.4
365.02805	3.0
371.04095	2.3
373.01834	6.7
375.03430	32.9
381.02512	9.2
383.03992	4.7
389.04779	2.6
391.02878	9.9
393.04095	2.2
397.01550	1.7
399.03323	5.9
401.05066	2.2
409.01697	2.1
413.04849	4.1
415.06879	2.8
417.04666	4.2
423.03476	2.4
427.02863	2.4
429.04318	4.7
431.05881	4.0
441.04730	7.6
445.03854	4.1
447.05844	3.8
449.07278	2.7
459.05563	16.1
467.07980	6.8
477.06772	13.6
495.07773	10.2
513.08984	1.8
519.61066	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97412	0.8
69.16708	1.0
69.70806	3.6
88.25227	0.9
98.23427	1.0
114.03740	0.9
147.02788	1.0
174.55284	1.0
175.03653	57.9
204.03922	1.4
205.04756	3.3
208.63167	1.0
278.84055	1.0
421.12830	1.0
425.12128	1.0
438.12891	1.8
439.13693	2.9
440.14526	3.1
453.15482	6.6
483.17062	1.0
593.19379	1.3
621.20868	1.6
635.20770	1.9
636.22559	1.5
650.23175	1.0
833.29718	100.0
834.30035	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	834.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42271	0.2
67.01862	0.7
69.03426	2.1
70.21540	0.2
70.63174	0.2
70.90970	0.3
71.04967	0.8
72.63042	0.3
73.02876	0.3
81.03416	4.1
85.02905	2.4
91.05481	0.5
97.02849	1.2
98.23056	0.3
99.04428	1.2
100.63634	0.3
101.02316	0.3
103.05457	0.8
109.02885	2.8
113.05978	0.7
119.04944	0.4
127.03922	4.4
129.03339	0.4
131.04924	0.9
141.05463	2.2
145.04898	0.6
147.04399	1.1
153.01775	0.5
157.02817	0.9
163.03802	0.4
173.02309	0.8
175.03860	1.6
185.02301	1.6
187.03873	3.9
191.03416	1.3
201.01828	1.4
202.02568	0.6
203.03375	3.7
213.01804	3.1
215.03395	3.6
215.82294	0.3
219.02892	0.9
227.03419	0.4
229.01381	2.5
230.01970	0.7
231.02861	18.0
232.03157	0.8
241.01302	3.4
245.04509	0.5
247.02361	2.7
257.00833	3.6
258.01468	0.6
259.02368	30.6
260.02710	1.1
273.03894	1.3
275.01874	4.7
276.02631	8.5
277.03412	100.0
278.03717	2.9
285.00330	2.8
286.00760	0.4
291.04968	3.1
303.01331	49.5
304.01733	1.7
305.02103	0.4
315.01315	0.7
321.02356	3.1
335.03931	5.1
339.05078	0.4
341.02805	0.3
343.04642	0.4
345.02429	0.4
357.05795	0.4
357.10382	0.3
363.03439	0.7
383.04053	0.3
387.03653	0.5
411.03555	0.6
423.05389	0.4
429.04541	0.5
438.36545	0.3
447.05545	1.1
465.06641	4.8
479.08072	0.6
483.07657	0.8
596.40558	0.3
767.07642	0.4
785.08051	1.8
799.08209	0.4
817.09186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.2
65.03928	1.0
67.05500	23.9
69.03411	1.2
69.07062	8.5
69.47050	3.0
71.04976	2.1
73.02900	0.9
73.56432	0.5
77.03938	0.6
79.05486	26.6
81.03426	5.3
81.07049	28.7
82.07349	0.6
83.04967	5.5
83.08614	5.8
85.02898	2.9
85.06525	1.7
88.16353	0.7
91.03958	1.0
91.05468	18.2
93.07036	30.4
95.04963	7.8
95.08598	12.3
97.02896	1.7
97.06528	4.4
97.10163	1.7
98.22727	0.9
99.04430	0.6
99.08081	1.0
102.36505	0.6
105.04531	1.6
105.07014	13.4
107.04938	2.3
107.08587	11.3
109.06499	3.2
109.10172	3.4
111.08080	2.2
117.07015	5.2
119.08564	9.6
121.06467	1.5
121.10126	6.4
123.08062	1.9
123.11708	0.7
125.09608	1.0
127.03935	0.8
129.07005	5.2
131.08588	3.6
133.06514	0.9
133.10118	6.1
135.08054	1.2
135.11684	3.1
139.35818	0.6
143.08560	4.5
145.10109	3.6
147.11682	11.1
149.09636	1.0
149.13225	7.4
152.55484	0.6
157.10172	0.8
159.11661	4.4
161.09631	1.8
161.13246	3.3
163.11156	1.5
171.11630	6.8
177.12787	1.7
189.12701	2.4
193.20944	0.7
195.13844	2.9
207.13806	7.0
212.15340	0.6
225.14874	0.8
267.15787	1.1
269.17435	20.9
278.93549	0.7
281.17441	19.2
313.27435	1.1
335.26038	1.0
347.22156	0.8
475.30536	100.0
476.30807	5.0
555.32916	1.0
573.33722	1.0
617.07587	0.9
619.34650	0.9
791.78839	0.7
834.40747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63424	29.8
67.05499	50.1
69.07068	77.0
70.54198	46.9
70.54527	46.3
81.07050	100.0
90.39617	33.4
95.08598	82.1
135.11694	41.4
136.89911	39.3
142.85500	35.0
155.03568	35.2
229.12051	40.0
254.82951	40.2
283.28870	38.1
313.27420	84.3
335.25620	47.5
462.57251	37.7
755.76941	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11652	0.3
65.03938	0.7
67.05498	0.5
68.99780	2.0
69.03413	0.5
69.83739	0.6
69.84108	0.6
80.11253	0.3
83.04983	0.7
84.04498	5.9
89.02248	0.3
93.03367	0.8
93.35177	0.3
95.04974	0.7
97.02885	0.4
98.23065	0.8
99.04452	0.8
101.07160	0.4
105.03437	0.4
106.99500	0.3
107.04937	0.9
109.02859	0.7
111.04432	3.3
115.05418	0.3
119.04932	0.5
123.04417	10.7
125.02355	0.5
127.03928	0.5
129.06987	0.4
130.04990	7.8
131.04889	0.7
135.04401	7.8
137.02208	0.4
139.03886	100.0
140.04213	1.3
141.01814	0.4
141.06981	0.4
143.04863	0.4
145.06456	0.8
147.04399	1.3
147.07626	9.1
151.02776	0.6
151.03882	4.6
152.06133	0.3
153.01797	2.5
153.06981	0.9
157.06531	0.4
159.04422	1.2
161.02267	0.7
161.05978	1.1
163.03889	9.9
165.05444	0.4
167.04889	0.3
169.06482	0.5
173.05956	0.7
175.03816	1.5
177.05473	0.6
179.01912	0.6
179.03386	8.2
181.04977	0.7
181.06474	1.7
185.05965	1.6
187.03857	2.4
189.05444	4.2
191.03325	0.8
193.04915	0.8
195.04381	0.5
197.05930	0.7
199.03874	0.4
199.07491	0.8
201.05394	1.6
203.03400	3.0
203.07010	0.5
207.06412	0.5
209.05919	1.1
213.05449	2.2
215.03407	2.1
215.07033	0.5
217.04958	3.1
227.03302	0.7
227.07019	1.4
229.04958	2.6
237.05472	1.4
241.04927	2.6
242.05701	0.4
243.06422	0.5
245.04445	8.1
245.11320	0.8
247.05975	0.4
253.04941	0.8
255.06468	5.3
257.04443	2.8
259.06003	7.1
261.07373	0.6
263.05380	0.8
265.04758	0.6
269.04395	4.0
270.05301	0.5
271.05951	4.5
273.07608	1.1
277.03442	0.6
281.04483	0.7
283.05984	20.5
284.06326	0.6
287.05463	12.6
288.06247	0.4
289.07080	0.4
291.08588	1.4
299.05469	8.7
301.07019	20.6
302.07285	0.6
303.01456	0.4
303.08414	0.6
311.05566	2.0
323.05655	0.4
379.08124	0.4
411.10748	2.1
421.09134	13.1
422.09460	0.8
433.09055	1.0
439.10217	25.8
440.10645	1.1
451.10114	1.0
453.11594	0.7
465.12164	0.4
555.12616	0.6
573.13831	0.6
591.14856	14.7
592.15131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56285	0.5
67.01237	0.7
68.99796	2.5
70.92235	1.0
71.93645	0.6
79.08759	0.5
81.03393	0.7
84.04501	6.7
93.03396	1.0
95.04961	1.1
97.02903	0.7
99.04408	0.7
107.04941	1.6
109.02875	0.9
111.04436	3.2
119.04947	1.1
123.03510	1.3
123.04422	23.9
124.04744	0.7
127.03860	0.7
130.05000	10.3
135.04408	8.4
137.02393	1.0
139.03891	100.0
140.04243	1.8
145.06409	0.8
147.04424	3.4
147.06520	0.9
147.07651	12.3
149.06024	0.6
151.03903	8.5
153.01886	3.0
153.06970	1.0
157.06488	0.8
159.04410	1.3
161.05966	1.9
163.03891	11.8
165.05417	1.8
165.09641	0.6
171.88707	0.6
173.05978	1.2
174.23151	0.6
175.03937	2.3
177.05402	0.9
179.03363	6.3
181.04942	1.1
181.06403	1.5
185.06015	1.7
187.03873	3.0
189.05424	3.5
191.03413	2.1
193.04971	1.7
197.06076	0.8
199.07474	0.8
201.05414	1.8
203.03384	3.4
203.06970	0.8
205.04994	1.6
208.11513	0.6
209.06027	0.6
213.05403	3.6
215.03465	2.8
215.06937	0.9
217.04877	4.4
225.05475	1.0
227.07005	1.7
229.04915	2.5
237.05423	1.0
241.04959	2.8
242.05708	0.9
243.06471	1.0
245.04440	9.6
245.11345	1.6
247.05946	3.8
253.04971	1.1
255.06616	4.2
257.04413	4.0
259.02368	0.9
259.06024	8.1
263.05435	0.6
265.04996	0.8
269.04477	8.9
270.05148	0.8
271.05981	7.9
273.07535	1.5
275.01862	0.9
277.03397	3.1
281.04153	1.2
283.05991	19.1
287.05466	13.8
291.08600	6.0
295.05927	1.9
299.05518	11.4
301.03619	1.4
301.07050	26.5
302.07376	0.9
303.01398	2.1
303.08612	6.1
311.05475	2.9
313.07178	1.1
315.08530	1.2
319.00601	0.7
323.05380	0.8
343.08105	0.8
345.09628	1.9
369.41074	0.6
375.08270	0.7
403.08209	0.9
411.10931	0.7
421.09177	20.4
422.09583	1.3
433.09210	1.5
434.09546	0.7
439.10217	30.2
440.10309	1.2
447.11011	1.3
451.10236	5.2
465.11893	6.7
555.12836	0.7
570.43719	0.6
573.13849	4.0
591.14966	16.6
592.15295	1.0
756.26965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89059	0.5
67.69862	0.5
69.10794	0.9
69.11201	3.6
80.90654	0.5
84.84172	0.7
85.41346	0.6
89.26787	0.6
90.02599	0.5
90.42460	0.5
92.34138	0.5
98.22957	3.1
108.08119	1.0
122.06072	0.9
134.89902	0.5
136.07532	0.8
137.06006	1.3
138.09096	0.8
148.07660	0.6
151.07487	0.6
162.49367	0.6
166.08675	1.2
173.66386	0.5
175.03653	28.4
176.04327	0.7
189.05206	5.6
205.04720	22.3
206.05034	0.7
218.05525	4.1
229.13092	0.5
232.07088	3.3
232.32889	0.6
237.10287	0.8
243.06248	0.8
244.07280	0.6
249.10329	1.3
264.08884	1.0
275.40726	0.5
277.09775	0.7
279.11456	2.1
280.11966	0.7
293.09314	3.2
293.12610	0.9
305.09195	1.1
307.10806	2.0
323.09842	0.6
333.08853	0.8
339.13187	0.6
351.09662	3.0
366.12198	1.2
371.12659	0.6
383.12579	1.6
385.14270	0.7
397.13220	0.7
411.13855	1.4
412.15295	1.4
415.13907	3.3
425.15991	3.5
427.13315	0.9
429.15271	3.8
437.15881	1.0
440.15088	0.9
441.15604	1.9
442.16315	0.9
446.16998	1.0
455.16748	12.4
456.16110	0.8
469.18518	1.1
518.19550	0.8
536.20483	2.2
550.22021	1.2
609.21826	0.6
638.23334	2.0
639.23779	1.0
641.26019	2.7
680.24194	2.8
681.25006	1.1
713.27838	9.1
835.31335	100.0
836.31702	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	835.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09114	0.5
68.55653	0.5
69.11259	3.8
82.54878	0.5
85.02916	0.5
90.87278	0.6
98.23502	1.2
99.77938	0.4
108.08151	0.6
110.09683	0.8
120.69976	0.6
122.06028	1.2
138.09129	0.8
155.50941	0.5
166.08690	2.1
175.03632	26.0
189.05214	5.6
204.03995	0.7
205.04681	16.2
205.06500	0.9
206.04988	0.8
215.06552	0.5
218.05411	2.7
222.09450	0.5
232.07130	2.5
237.10303	1.6
243.06233	1.1
249.10255	1.4
264.09003	1.9
265.09702	1.0
267.11456	0.8
277.09790	1.4
278.10464	0.6
279.11374	1.8
281.09274	1.3
281.12570	0.6
293.09256	3.3
293.12524	0.8
305.09262	1.5
307.10791	1.9
314.01089	0.7
339.13535	1.2
350.12778	0.6
351.09689	4.7
366.11899	1.4
371.12134	0.6
383.12140	1.1
385.94852	0.5
397.13217	0.7
398.14441	0.6
401.11993	0.9
411.14188	1.3
412.14957	1.2
415.13779	2.1
425.15689	3.3
427.13651	1.3
429.15280	3.8
437.16013	1.6
441.15179	1.2
442.16138	0.9
446.17337	1.6
455.16666	12.1
455.22430	0.9
456.15884	1.3
469.18671	0.7
486.16336	0.6
519.20093	1.3
536.20465	2.2
539.73340	0.6
550.21472	1.1
609.23248	0.6
637.22198	0.8
638.23364	2.2
639.24500	0.9
641.26038	2.9
680.23975	3.0
681.24945	1.5
713.27820	11.9
714.28693	0.7
835.31256	100.0
836.31378	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	835.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19280	0.8
84.58556	0.7
100.56300	0.7
101.42969	0.7
101.91209	0.6
116.98244	0.7
137.06001	1.6
137.74496	0.7
167.07007	0.9
175.03642	10.4
176.04381	1.1
189.05322	2.6
205.04691	36.6
206.04984	0.7
206.59503	0.7
218.05455	6.8
218.07217	0.7
232.07039	5.8
233.07512	1.0
249.07411	1.6
253.08846	0.8
255.71835	0.7
363.12042	0.9
412.15039	2.4
415.13492	3.9
425.15665	8.8
429.15274	7.2
439.17331	0.9
455.16580	5.3
638.23096	3.4
639.23584	1.5
653.39166	0.8
681.12482	0.9
835.31262	100.0
836.31525	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	835.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89059	0.5
67.69862	0.5
69.10794	0.9
69.11201	3.6
80.90654	0.5
84.84172	0.7
85.41346	0.6
89.26787	0.6
90.02599	0.5
90.42460	0.5
92.34138	0.5
98.22957	3.1
108.08119	1.0
122.06072	0.9
134.89902	0.5
136.07532	0.8
137.06006	1.3
138.09096	0.8
148.07660	0.6
151.07487	0.6
162.49367	0.6
166.08675	1.2
173.66386	0.5
175.03653	28.4
176.04327	0.7
189.05206	5.6
205.04720	22.3
206.05034	0.7
218.05525	4.1
229.13092	0.5
232.07088	3.3
232.32889	0.6
237.10287	0.8
243.06248	0.8
244.07280	0.6
249.10329	1.3
264.08884	1.0
275.40726	0.5
277.09775	0.7
279.11456	2.1
280.11966	0.7
293.09314	3.2
293.12610	0.9
305.09195	1.1
307.10806	2.0
323.09842	0.6
333.08853	0.8
339.13187	0.6
351.09662	3.0
366.12198	1.2
371.12659	0.6
383.12579	1.6
385.14270	0.7
397.13220	0.7
411.13855	1.4
412.15295	1.4
415.13907	3.3
425.15991	3.5
427.13315	0.9
429.15271	3.8
437.15881	1.0
440.15088	0.9
441.15604	1.9
442.16315	0.9
446.16998	1.0
455.16748	12.4
456.16110	0.8
469.18518	1.1
518.19550	0.8
536.20483	2.2
550.22021	1.2
609.21826	0.6
638.23334	2.0
639.23779	1.0
641.26019	2.7
680.24194	2.8
681.25006	1.1
713.27838	9.1
835.31335	100.0
836.31702	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	835.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02882	1.4
67.05441	1.2
69.03345	4.3
70.70485	1.0
73.02837	0.7
79.05423	1.2
80.04928	1.0
81.03322	1.9
81.03780	0.7
85.02896	4.4
91.05428	1.5
93.06973	1.5
94.06573	4.2
95.04911	0.8
95.07307	1.4
96.08032	4.3
97.02802	1.8
103.05375	1.1
108.08107	9.9
109.02797	1.3
110.09671	7.4
120.08092	7.5
120.79488	0.8
122.06014	11.1
122.09538	2.4
127.03827	1.0
134.05927	1.0
136.07576	14.2
137.05896	1.2
137.08083	0.7
138.09122	11.3
148.07564	5.5
150.09065	3.9
152.06989	1.0
166.08623	19.6
167.06956	0.7
175.03650	17.4
189.05211	3.3
189.11653	0.8
200.16777	0.7
208.09729	0.8
209.10600	2.6
221.10539	1.0
225.10152	2.3
235.08589	3.3
236.07170	0.7
236.09425	4.3
237.07907	1.0
237.10197	20.5
238.10815	1.3
239.11546	1.7
243.06131	1.5
248.09306	1.6
249.07762	1.0
249.10210	17.8
250.07262	1.5
250.10982	5.6
251.07959	1.6
251.11775	7.6
253.09798	4.1
255.11150	0.8
261.10153	1.9
262.10825	1.0
263.07986	2.7
263.11664	2.3
264.06467	1.0
264.08914	11.6
265.09720	12.0
265.12650	1.4
266.10156	1.6
267.11276	6.6
268.11935	0.8
269.09067	1.0
276.08658	1.2
277.09683	16.9
278.07559	1.0
278.10437	6.7
279.08002	1.5
279.11234	17.3
280.08261	0.7
280.11835	2.5
281.09171	4.7
281.12027	0.7
282.09857	1.8
283.10547	1.3
289.09512	2.1
291.07529	2.7
291.10989	1.3
292.08273	3.8
292.11945	1.9
293.09100	39.3
293.12701	8.4
294.09656	2.8
294.13205	1.0
295.10779	4.8
296.11569	1.0
297.12207	1.7
298.09393	0.8
305.09207	11.6
306.09769	1.3
307.07346	1.2
307.10730	16.3
309.08560	3.7
309.12253	4.4
310.09549	1.3
311.10117	4.6
311.13507	1.3
312.10977	2.4
313.11719	2.8
314.12878	0.9
319.10574	2.2
321.08682	1.1
321.12231	1.5
323.10187	9.7
324.10880	2.2
325.11703	6.3
326.12567	0.9
327.13184	2.5
328.14471	1.3
333.08646	8.6
334.09183	1.4
335.10092	0.9
337.11841	5.5
338.12628	1.3
339.09622	1.0
339.13342	12.1
340.10489	0.8
340.14142	1.5
342.12106	1.5
342.15921	1.0
343.12888	1.5
351.09726	43.1
352.10037	2.3
353.11197	2.4
353.14944	2.3
354.12024	2.4
355.12836	4.8
356.13733	2.4
358.15503	0.9
365.11288	4.1
366.12085	13.0
367.12900	2.1
368.13907	2.8
369.14444	2.9
370.11414	1.8
370.15598	2.2
371.12326	11.1
372.17084	1.3
382.11429	1.7
382.15671	1.1
383.12311	18.0
384.12915	3.3
384.17273	1.5
385.13986	8.6
386.14722	1.2
387.15329	0.8
396.13242	1.2
397.13947	4.9
398.14481	4.2
398.19125	1.6
399.15622	3.3
400.16531	1.7
402.18561	1.1
410.14886	1.6
412.16409	2.4
413.13675	0.8
415.14804	0.9
416.15628	1.3
418.17468	2.7
427.14056	0.8
428.15738	3.6
430.17554	1.3
432.18985	1.4
437.15640	1.1
438.14487	4.2
440.14816	0.7
441.14691	1.4
442.17752	1.7
446.17072	10.6
455.16727	8.6
456.15594	8.6
458.16974	4.4
459.17657	1.6
462.20248	1.0
474.20010	1.0
476.18079	8.2
477.18811	1.0
478.19843	4.5
486.16675	4.2
488.18243	3.6
490.19431	3.3
491.20456	0.8
504.17654	1.9
518.19080	10.8
519.19958	6.2
520.20636	1.4
522.22510	1.3
536.20184	16.5
537.21118	1.2
550.21838	15.5
551.22510	8.5
580.66809	0.9
608.22803	1.4
609.23151	5.0
623.25140	3.3
640.25098	2.7
641.25940	27.9
642.26312	2.6
644.23999	0.8
648.22162	1.0
649.22186	1.3
662.23206	2.3
680.24371	30.6
681.25195	18.8
681.36731	1.3
682.25574	1.9
712.26996	4.3
713.27802	100.0
714.28381	10.4
771.28937	1.3
803.31244	2.9
835.31323	44.0
836.31409	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	835.339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.4
65.03940	0.6
67.05505	2.5
69.03422	1.4
69.07048	0.5
71.58018	0.3
72.55305	0.3
73.02893	0.6
79.05473	1.6
81.03416	2.7
81.07027	1.0
82.06593	0.7
83.04994	0.4
83.08630	0.6
83.13043	0.3
85.02882	2.0
89.03888	1.1
91.03945	0.3
91.05462	1.4
93.07057	1.7
94.06568	2.5
95.04958	1.4
95.07318	1.3
95.08628	0.6
96.08138	2.7
97.02882	1.5
97.06513	0.7
100.11256	0.8
105.07014	0.8
106.06512	0.5
107.04936	0.6
108.08125	3.1
108.08860	0.5
109.10119	0.6
110.09679	3.5
113.02915	0.4
116.04969	3.1
120.04447	0.7
120.08089	2.5
122.06018	6.4
124.07582	5.7
124.08443	0.6
127.03890	0.8
134.05966	0.8
136.07571	6.2
138.09129	4.0
140.07016	1.0
144.04431	7.6
145.02504	0.3
146.05972	1.9
147.11656	0.6
148.07556	1.9
150.05467	1.9
150.09134	0.4
152.07094	2.1
156.13766	0.4
158.05879	0.4
160.03967	0.3
160.07593	0.5
162.05493	3.8
164.07069	0.9
165.09070	0.5
166.08621	6.8
168.06558	1.4
168.08028	0.4
170.09537	0.7
172.03925	51.3
172.07446	0.9
173.04294	1.1
174.05511	1.2
174.09131	0.5
175.11136	0.6
176.07071	0.5
182.08142	1.0
182.15445	0.7
184.11241	0.3
185.10728	1.6
186.11307	0.5
187.12202	0.5
190.04984	10.8
193.12271	0.8
194.09589	0.4
196.09732	0.5
197.08246	0.5
198.09195	2.0
199.08556	0.7
199.12259	0.8
200.10745	0.5
200.12939	0.6
201.10168	2.0
204.06543	80.3
205.06941	2.2
211.08467	0.6
211.10153	0.5
212.10893	1.8
213.06535	0.4
213.10083	3.0
214.10992	1.3
215.11790	2.7
218.08078	0.6
223.08717	0.5
223.12204	0.4
224.09106	0.4
225.10184	3.4
226.10854	0.6
227.08121	2.0
227.11830	1.4
228.12595	0.9
229.09702	2.6
229.13380	1.3
236.09464	0.4
237.10245	0.4
239.11795	0.9
240.10321	0.8
241.09698	7.3
241.13232	3.1
242.08099	0.6
242.10458	10.4
243.11206	4.1
244.11995	1.1
247.10828	0.4
250.10956	0.6
251.11804	0.6
255.11215	2.1
256.12057	9.9
257.10403	0.6
257.12820	9.2
258.11172	1.7
258.13489	1.6
264.08954	0.4
267.11230	1.4
267.15851	0.8
269.09238	0.8
271.14386	0.7
272.12866	1.1
279.11267	1.5
283.10876	0.5
283.15216	0.5
284.11539	6.0
285.12335	3.2
287.10226	2.0
289.15424	3.9
290.15750	0.5
297.12418	2.8
299.10187	0.6
299.13696	0.6
301.11795	0.6
302.12573	2.6
307.10666	1.1
315.13409	1.0
317.14929	100.0
318.15259	4.4
325.11807	11.2
325.15649	0.8
326.12231	0.8
329.11227	1.8
329.15060	0.9
334.09277	0.7
339.13312	1.1
341.14923	0.8
343.12726	2.1
357.14410	22.7
358.14789	1.1
428.15601	0.4
430.18030	0.4
432.18832	0.6
439.26862	0.6
469.16360	0.4
476.18146	2.5
487.17191	8.4
488.17972	1.9
501.18240	0.5
505.18188	0.5
508.20584	1.3
519.19623	2.0
573.43671	0.4
575.23456	0.4
597.26825	1.3
609.23676	1.7
623.24866	0.7
641.26056	11.9
642.26233	0.9
673.28351	1.2
759.32104	0.8
803.31177	3.7
804.30426	0.5
834.64526	0.4
835.38269	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	835.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66230	1.0
69.03429	4.4
70.40339	2.4
79.05510	2.3
81.03427	2.3
85.02887	6.0
91.05451	2.5
93.07061	1.9
94.06581	3.2
95.04979	1.4
95.07359	1.5
96.08144	4.0
97.02883	2.2
108.08137	6.1
110.09667	9.3
114.99102	1.1
120.08083	7.2
122.06025	12.6
122.09651	1.5
134.06026	1.9
136.07571	13.4
137.67772	1.1
138.09131	13.3
148.07625	4.5
150.09138	3.5
152.07079	1.7
166.08620	20.3
167.06993	1.3
174.86810	1.2
175.03658	37.8
189.05194	8.4
204.04080	1.5
205.04758	2.2
206.28896	1.2
209.10808	3.2
225.10245	1.8
231.37416	1.2
235.08791	3.3
236.09441	5.6
237.10213	18.6
240.35121	1.1
249.10181	17.6
250.11044	4.2
251.11731	5.9
253.09845	3.9
261.10275	2.8
263.08298	1.8
263.12045	2.1
264.08911	11.8
265.09729	11.3
266.10507	3.1
267.11365	6.2
277.09695	16.0
278.10632	5.4
279.08112	2.4
279.11227	19.3
280.12054	2.1
281.09341	4.6
281.12814	1.1
291.11154	1.7
292.08563	4.4
293.09299	36.7
293.12918	8.7
294.10040	2.4
295.10809	3.6
297.12457	3.3
298.09705	1.4
305.09198	12.1
306.09869	2.4
307.10703	14.3
309.08813	4.5
309.12595	3.9
311.10336	4.3
311.13788	2.4
312.11044	2.7
313.11871	3.2
316.51657	1.2
319.10928	1.8
323.10333	10.3
324.11145	1.6
325.11728	6.0
326.12476	2.0
327.13525	1.9
333.08621	6.3
335.10306	2.1
337.11960	5.2
338.12909	2.0
339.13257	9.6
341.11331	1.5
343.13199	1.8
344.14105	1.9
351.09689	40.1
352.10333	2.2
353.11371	2.3
353.15244	1.7
354.12326	3.1
355.13083	4.3
356.14017	3.2
357.14795	1.5
365.11398	4.2
366.11960	13.7
366.15582	1.1
367.12994	2.1
368.13834	2.5
369.14893	2.4
370.11719	2.9
370.15775	1.7
371.12335	8.4
383.12369	17.8
383.16617	2.2
384.13022	2.6
385.13885	8.3
386.14993	1.8
397.13889	8.1
398.14700	3.0
399.15494	3.3
400.16483	2.5
401.12265	1.8
402.14230	1.4
410.14893	1.6
412.16272	1.3
418.17484	2.2
426.14273	1.6
427.13312	1.6
428.16336	4.4
437.16528	1.5
438.14633	4.1
441.15228	1.7
442.16806	1.3
444.19717	1.9
446.16946	11.5
455.16724	17.0
456.15582	7.8
458.17245	4.8
476.17996	7.3
478.19928	5.0
486.16708	2.7
488.17651	2.2
490.19815	3.1
504.17313	2.3
518.18958	11.8
519.19965	6.1
520.20300	1.7
536.20184	18.4
550.21777	12.5
551.22662	7.8
609.23462	6.6
623.24695	3.6
638.23669	2.4
640.25177	3.8
641.25995	27.3
642.25787	1.8
662.23279	2.5
680.24292	29.3
681.25201	14.0
682.25769	1.9
712.27185	5.4
713.27789	100.0
714.28473	8.9
803.31311	2.2
835.31354	88.5
836.32098	7.8
836.46716	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04968	1.1
61.02916	11.2
63.03284	0.8
65.03950	1.4
67.05495	22.6
69.03413	5.2
69.07056	5.5
69.10164	0.8
71.04988	3.8
73.02898	3.7
73.56513	0.8
79.05482	21.0
81.03405	79.8
81.06564	1.2
81.07040	20.3
83.04965	8.3
83.08608	21.4
85.02889	19.8
85.06528	1.7
87.04441	0.9
91.03947	5.9
91.05467	26.0
93.07033	16.4
95.04955	26.1
95.08585	9.5
97.02872	8.7
97.06505	3.8
97.10155	5.8
98.23468	2.5
99.04435	0.9
99.08104	1.4
105.04510	1.1
105.07011	19.8
107.04937	8.5
107.08572	9.9
109.02917	1.0
109.06503	5.9
109.10155	6.1
111.04433	3.7
111.08055	7.2
111.15601	0.8
113.05975	1.6
115.03908	0.9
115.05442	1.3
117.07002	4.1
119.04909	0.9
119.08553	16.1
121.06473	5.0
121.10126	8.5
123.04418	1.0
123.08038	3.1
123.11692	1.0
125.09635	4.4
127.03902	2.7
129.06969	10.0
131.04915	0.8
131.08551	10.9
133.06499	4.1
133.10118	9.8
135.08029	2.2
135.11649	3.0
137.09598	2.0
141.07014	0.9
142.07770	3.6
143.08479	0.9
145.04968	1.8
145.06429	4.4
145.10075	4.8
147.07997	4.3
147.11667	12.2
149.09598	6.1
149.13240	1.1
151.11162	1.1
153.09013	1.0
155.08440	1.3
157.10085	12.5
159.08012	0.9
159.11693	1.0
161.09555	1.8
163.05971	2.9
163.11177	5.4
165.12738	2.8
171.11664	1.5
173.09598	1.7
175.11166	13.9
189.11169	1.7
193.12196	28.5
195.13789	0.8
211.11214	1.1
211.13231	16.5
223.13136	0.8
227.12738	2.3
229.14319	2.4
231.13678	1.0
235.13264	1.0
249.14917	2.0
253.14270	1.2
255.13847	2.7
267.15863	100.0
268.16135	2.7
269.17441	3.0
273.14847	4.9
273.18408	1.5
283.15289	5.7
285.16913	16.3
291.19421	3.1
301.14218	1.4
309.20291	0.9
316.18042	0.9
319.15268	0.9
339.23364	1.0
341.20938	1.5
349.21579	3.1
367.22604	7.5
385.23691	9.6
403.24759	2.7
433.25757	12.8
441.26315	6.5
459.27335	58.5
460.27560	2.1
477.28406	52.9
478.28748	3.1
501.28174	1.5
519.29126	2.9
539.33228	1.1
557.34399	1.6
575.35400	1.9
585.30176	1.9
593.36133	0.9
603.31763	1.3
621.32813	1.2
774.64233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	1.2
61.02916	10.6
61.97425	0.8
65.03946	1.4
67.05496	26.9
69.03421	5.9
69.07059	8.3
69.28483	2.8
69.28876	1.7
71.04980	4.0
73.02540	0.8
73.02908	3.5
79.05036	1.8
79.05482	23.4
79.05948	1.2
81.03408	82.5
81.07050	23.6
81.18403	0.8
83.04974	12.8
83.08607	22.8
85.02898	25.5
85.06531	2.2
91.03957	8.2
91.05467	28.4
93.07035	18.4
94.12206	0.8
95.04953	32.0
95.08595	10.5
97.02888	8.7
97.06518	4.4
97.10163	7.5
98.23428	1.7
99.04425	1.8
99.08104	1.1
105.04517	2.0
105.07018	20.6
107.04941	11.1
107.08586	10.5
109.02908	0.8
109.06499	4.8
109.10145	7.7
111.04446	2.3
111.08071	8.5
113.05999	1.8
115.05423	1.9
117.07005	3.7
119.04905	1.0
119.08569	18.4
121.06504	7.0
121.10114	8.0
123.04420	2.7
123.08052	2.7
123.11682	2.0
125.05940	0.9
125.09653	4.7
127.03896	2.7
129.06978	12.1
131.04938	1.2
131.08557	11.9
133.06506	3.3
133.10109	12.3
135.08058	3.0
135.11673	2.6
137.05956	1.0
137.09598	3.0
139.07561	0.9
142.07742	2.6
143.08549	2.1
145.04982	2.8
145.06494	4.7
145.10072	5.5
147.04480	1.3
147.08041	5.3
147.11662	12.0
149.09608	7.6
149.13348	1.0
151.07585	1.1
151.11192	1.2
155.08591	1.7
157.06496	1.4
157.10115	14.4
159.08101	1.3
159.11671	0.8
160.18938	0.8
161.09642	1.8
163.06088	4.2
163.11189	3.4
165.12753	4.0
166.15300	0.9
169.06573	1.3
169.10129	1.2
171.08119	1.2
171.11624	1.2
175.11143	14.0
185.13254	1.0
187.11224	1.0
189.11226	1.5
189.12724	1.5
193.12219	35.9
195.11664	1.2
199.13019	0.8
205.12306	1.2
211.13263	21.5
223.13196	1.3
227.12706	1.9
229.14343	2.7
233.15456	1.4
234.04459	0.9
235.13304	0.9
249.14832	1.7
255.13773	2.5
265.98767	0.9
267.15872	100.0
268.16281	2.2
273.14856	4.5
273.18597	1.4
275.20010	1.3
283.15140	1.7
285.16916	22.0
299.14847	0.9
301.14075	1.7
309.16965	1.8
338.17282	0.8
341.21115	1.5
349.21283	1.5
367.22601	8.2
385.23709	10.4
397.42136	0.8
403.24789	3.1
433.25720	13.9
434.25723	1.5
441.26361	5.2
453.24924	1.2
459.27356	59.9
460.27686	3.7
477.28412	36.4
478.28513	1.9
493.27280	1.1
501.28433	1.2
519.29291	4.2
557.34387	1.1
575.34338	1.0
585.30573	2.0
589.33496	1.2
603.31445	1.1
696.44373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.4
67.05162	2.3
67.05501	34.0
69.03412	4.1
69.06712	2.0
69.07066	32.4
79.05040	1.9
79.05486	31.1
80.05795	1.0
81.03413	9.1
81.07051	37.0
83.04981	6.6
83.08616	7.4
85.02885	1.7
86.09683	2.1
91.05479	40.4
93.07035	25.6
95.01329	5.0
95.04968	10.0
95.08021	1.7
95.08599	21.5
97.02880	5.2
97.06525	29.4
97.10165	9.4
103.05466	1.6
105.04503	2.2
105.07024	59.0
107.04942	14.2
107.08589	16.1
109.06501	3.6
109.10151	7.8
111.08077	2.7
115.05398	1.4
117.07019	11.3
117.49380	1.1
119.08569	31.4
121.06494	3.8
121.10139	6.8
123.04417	2.4
123.08055	4.6
123.11686	1.4
125.09615	5.2
129.06984	4.1
131.08556	17.0
133.06451	2.9
133.10115	27.7
135.08020	3.2
135.11673	5.2
137.09596	1.8
139.07489	1.5
141.06984	1.2
142.07770	1.4
143.08559	3.1
145.06488	2.3
145.10103	11.7
147.08067	2.6
147.11665	12.3
149.09610	4.6
149.13179	3.3
151.11208	1.7
153.12651	1.3
157.10147	3.0
159.11681	7.2
161.09573	1.5
161.13251	3.9
163.11171	4.0
165.09088	1.8
169.10141	2.1
171.11668	2.6
173.13351	2.9
175.11073	1.6
177.12709	2.0
177.20610	1.0
179.14305	10.5
183.11671	1.8
184.07355	6.3
187.11159	1.7
189.11197	2.9
195.13716	1.3
197.13345	1.2
211.71727	1.1
219.17334	2.3
223.13284	7.6
227.12724	3.3
239.17967	1.2
247.20621	2.3
249.14876	1.6
257.18961	4.9
273.18475	8.1
275.20041	68.9
276.20410	2.8
279.15909	1.6
291.19519	37.1
292.19675	1.7
293.21100	4.2
301.34692	1.1
347.22180	2.4
349.23712	29.7
361.20157	1.3
365.23224	27.5
461.28946	1.2
519.33514	1.2
541.34796	3.5
583.92828	1.1
621.40808	4.0
639.42493	100.0
640.42676	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	836.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	2.5
67.05497	35.1
69.03413	5.1
69.07062	32.8
71.41913	1.8
79.05491	31.2
81.03416	9.8
81.07050	40.7
83.04970	7.2
83.08626	9.6
85.02905	2.6
86.09666	2.6
91.05473	42.5
93.07035	30.4
95.01294	4.8
95.04977	9.5
95.08605	22.1
97.02884	7.2
97.06522	23.8
97.10149	7.9
99.43609	2.1
105.07021	48.5
107.04943	13.3
107.08598	15.5
109.06509	3.2
109.10142	8.4
111.08071	2.8
117.07016	14.0
119.08575	26.9
120.53981	2.0
121.06488	5.4
121.10157	5.1
123.08075	5.0
125.00043	2.9
125.09612	7.2
129.06987	3.2
131.08543	16.0
133.10121	27.0
135.08043	5.9
135.11664	5.0
137.09576	3.6
140.32492	2.2
143.08572	3.1
143.97726	1.9
145.10110	13.4
147.08034	3.2
147.11662	11.6
149.09612	6.6
157.10075	3.8
159.11676	8.4
161.13367	4.9
163.11169	6.0
169.10066	2.6
171.11694	4.2
175.11130	3.3
177.12753	3.6
179.14317	8.6
183.11699	1.9
184.07304	9.1
187.11189	4.1
189.11183	2.6
219.17461	5.4
223.13287	11.7
227.12758	4.9
247.20526	2.4
257.19031	3.8
273.18509	8.2
275.20065	55.5
276.20386	2.2
291.16269	2.9
291.19501	51.5
293.21054	3.0
347.22205	2.4
349.23730	24.9
365.23206	43.7
541.34753	4.0
557.34558	2.7
621.40875	4.1
639.42474	100.0
640.41956	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	836.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45841	1.7
64.25475	1.7
65.03944	2.8
67.05502	55.3
69.03429	3.6
69.07067	34.1
77.03925	1.8
79.05489	44.8
81.03419	11.5
81.07054	78.8
82.07378	2.3
83.04973	14.1
83.08199	1.8
83.08604	10.3
85.06538	4.5
86.09715	2.0
89.52400	1.6
91.05477	88.1
93.07038	52.5
95.01328	9.7
95.04964	20.2
95.08607	39.0
97.06525	34.2
97.10175	5.6
98.23508	4.0
99.08073	2.3
103.05482	2.9
105.04515	4.3
105.07027	100.0
107.04955	22.5
107.07903	3.5
107.08585	33.3
109.06514	8.0
109.10146	35.5
111.08095	5.9
113.09692	2.3
115.05462	2.6
117.07001	19.4
119.08568	47.2
121.06512	9.5
121.10129	13.4
123.08083	7.1
123.11723	6.5
125.09568	2.2
127.07568	2.9
129.07025	6.1
131.08559	27.6
131.80934	1.7
133.06494	5.1
133.10124	82.0
134.10425	2.1
135.08029	10.6
135.11676	9.2
137.09627	2.8
139.07512	2.9
141.07021	2.3
143.08554	6.7
145.06497	2.4
145.10121	20.2
147.08020	3.5
147.11679	19.0
149.09630	11.9
149.13263	3.5
151.11169	22.8
155.08505	2.7
157.10136	4.0
159.08081	3.9
159.11681	15.0
160.11267	2.1
161.09639	6.4
161.13261	6.0
163.11220	4.4
165.12814	2.0
169.10063	3.8
171.11690	4.8
173.13248	6.0
177.09111	3.2
177.12720	4.2
179.10797	1.9
179.14301	14.9
184.07335	8.9
187.11189	4.8
189.12709	2.8
195.13847	2.0
198.95659	2.0
213.16406	2.1
215.12656	1.9
245.18987	3.3
247.20432	2.4
251.12735	2.8
253.14333	58.7
254.14415	2.0
255.17537	2.3
257.19022	7.5
258.08789	3.5
273.18475	15.0
275.20059	73.6
291.19470	21.8
293.21130	6.0
347.22125	5.7
349.23715	32.8
365.23215	27.2
454.38837	1.7
525.35516	2.0
543.33417	2.9
545.34589	7.2
602.48529	1.9
607.43134	2.3
621.41492	10.9
639.32483	3.3
639.42505	61.4
640.42877	6.5
793.50690	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	837.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85451	2.8
58.87461	2.9
59.96391	2.5
60.31505	2.9
69.03429	4.7
79.05476	3.2
81.03427	6.6
85.02889	7.9
93.06980	4.2
94.06577	7.6
94.43293	2.8
95.07327	3.1
96.08120	6.7
108.08122	12.3
110.09673	12.6
120.08072	9.7
122.06017	8.6
122.09667	4.0
124.07576	4.9
124.19468	2.7
127.03915	3.2
136.07562	15.3
138.09135	15.4
146.06012	8.3
147.11748	2.7
148.07553	7.0
150.09128	9.2
152.07071	4.7
155.08557	2.5
160.03867	4.2
166.08636	32.4
172.03934	17.7
189.05313	4.3
190.04912	17.4
202.86954	2.8
204.06549	30.7
211.08694	3.6
218.32402	2.7
224.09344	3.9
225.10281	9.8
227.11671	16.2
236.09354	3.0
237.10269	8.5
238.10942	3.4
239.11725	8.9
241.09691	6.8
241.13356	2.8
245.12921	4.6
249.10280	7.1
251.11832	9.6
253.09634	13.0
254.10365	4.8
255.11328	6.8
261.10175	3.1
263.08121	3.0
263.11746	5.0
264.09052	3.5
265.09689	10.1
267.11206	8.5
269.12836	14.3
271.10733	15.9
273.12424	6.2
279.11237	17.2
281.09210	4.4
283.10684	10.6
284.11563	5.6
285.12195	3.3
287.13907	13.1
289.09741	9.2
293.09070	5.2
294.09842	5.5
295.10629	7.4
296.11563	4.9
297.12329	12.7
299.10355	4.2
299.13718	2.9
300.10892	6.5
304.36142	2.7
307.10861	5.1
309.12314	9.2
311.10440	5.1
311.13864	4.5
312.10837	7.3
313.11850	5.5
314.12708	6.1
315.13220	20.1
323.10217	9.1
323.13693	3.6
325.11685	23.8
326.12552	4.1
327.13419	10.1
335.10327	9.3
339.13434	25.4
341.11298	3.7
342.12271	6.5
343.13016	7.3
353.11288	7.5
354.12042	5.0
355.12796	11.1
356.13733	4.3
357.14453	21.3
365.11111	3.2
367.12936	26.9
370.15381	5.3
378.18094	3.9
382.11612	3.0
398.14896	12.3
399.15637	29.3
414.17963	5.3
416.15997	14.6
440.16101	5.2
446.16956	7.7
458.16833	22.6
472.18491	3.7
474.20120	3.7
478.19608	6.4
480.21442	6.2
487.17020	12.0
488.18204	9.6
490.19547	8.2
506.19275	6.4
520.20697	6.4
593.23730	5.2
611.15100	5.3
611.24878	100.0
612.25409	8.1
642.26569	16.8
643.27466	25.8
650.23297	8.5
651.23724	5.0
682.26013	91.4
683.26440	23.0
714.28815	13.7
715.29297	21.8
773.30328	33.6
774.31354	4.5
791.66028	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	837.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	1.1
67.05502	2.1
69.03412	3.4
71.42960	1.3
79.05485	2.1
80.05001	1.1
81.03402	6.7
83.08624	1.2
84.04495	1.3
85.02901	4.0
90.84456	1.1
91.05447	1.3
93.07036	3.8
94.06571	1.9
95.05013	2.1
96.08127	2.2
97.02853	1.9
97.06538	1.5
103.05473	1.4
105.07010	2.0
107.04959	1.4
107.07334	1.3
108.08090	6.8
110.09670	6.1
120.04450	2.5
120.08104	5.0
122.06034	3.6
122.09662	4.5
124.07605	1.6
130.82475	1.0
131.04900	1.5
134.06018	1.6
136.07553	11.7
137.05984	3.1
138.09105	9.8
144.04474	2.4
146.06015	2.6
148.07584	4.3
150.09128	2.7
152.07056	1.6
153.01837	2.6
161.06027	1.2
162.05460	1.8
164.07033	2.0
166.08612	17.6
166.22026	1.1
167.07059	4.0
167.29417	1.2
172.03905	18.8
180.10268	1.9
190.05022	3.4
197.10669	1.4
204.06528	34.1
205.06876	1.7
209.10635	1.6
212.09401	1.6
223.12190	1.6
225.10182	6.2
227.11732	6.3
236.09286	1.9
237.10249	5.0
239.11737	3.5
241.09654	1.3
248.09561	1.8
249.10298	4.6
251.08177	1.4
251.11703	6.1
253.09705	2.7
255.11320	3.9
257.13089	1.5
261.10287	1.7
263.11710	2.7
265.09781	7.8
266.10452	2.0
267.11249	4.4
267.15817	3.2
269.12811	3.8
271.10767	3.9
273.12314	2.3
277.09760	2.6
278.10522	3.2
279.07974	2.0
279.11258	10.1
280.11935	2.3
281.09262	1.7
281.12695	2.0
283.10767	5.2
284.11801	1.3
285.12311	2.5
287.13864	11.2
289.09659	3.8
290.10376	1.5
291.11157	2.6
293.09143	3.4
293.12756	3.9
294.09976	2.4
295.10822	5.3
296.11447	1.4
297.08981	1.7
297.12350	6.0
299.13882	1.7
307.10648	3.2
309.12189	2.9
311.10269	3.8
311.13745	1.6
312.10855	2.3
313.11850	3.5
314.12607	1.5
316.14429	1.4
323.10254	3.9
324.11020	2.4
325.11716	6.8
326.12833	3.0
327.13321	7.8
327.16745	1.4
328.10638	1.5
328.14282	1.4
335.10379	5.2
337.11813	1.8
339.09665	1.0
339.13361	25.9
340.10367	1.3
340.14160	1.7
342.12198	1.3
343.13327	1.3
352.10382	1.5
353.11221	3.0
354.12061	3.1
355.12860	9.4
356.13916	1.9
357.14401	18.3
358.15192	2.9
367.12811	17.2
370.15472	3.2
371.16058	2.2
383.12619	1.2
386.14462	2.2
386.18982	1.5
387.15326	2.2
398.14871	7.7
399.15567	15.6
400.16132	2.1
402.17947	1.5
404.16013	3.7
414.18454	1.2
416.15881	5.0
418.17551	1.4
422.16791	1.2
428.15945	2.1
440.15924	2.6
446.17102	1.7
458.17102	9.5
459.27383	2.8
460.18637	2.2
470.17047	1.7
478.19495	1.7
479.20221	1.6
488.17972	3.0
490.19882	5.3
492.20862	2.2
520.20813	8.6
552.23376	8.5
569.24994	1.4
611.24951	31.1
612.24707	1.8
624.99036	1.2
643.27460	22.3
644.27679	1.8
682.26111	9.2
714.28552	100.0
715.28711	7.2
724.11340	1.2
773.30017	3.5
805.32117	2.2
837.31708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	0.8
61.02914	7.7
61.09810	0.6
65.03919	1.8
67.05492	38.9
68.05823	1.1
69.03424	3.5
69.07059	12.3
71.01348	1.1
71.04987	4.3
73.02896	3.0
73.06513	0.7
75.74964	0.6
77.03937	1.1
79.05479	26.8
81.03406	36.5
81.07044	46.6
83.04964	9.2
83.08605	18.8
85.02402	1.1
85.02893	19.1
85.06512	3.4
91.03927	4.2
91.05463	23.1
93.07030	36.7
95.04953	16.4
95.08019	1.1
95.08592	15.3
97.02862	5.8
97.06509	7.9
97.10140	3.4
99.04471	0.7
99.08082	2.3
101.09754	0.6
105.04518	1.1
105.07008	14.5
107.04942	4.1
107.08584	19.3
109.06487	3.7
109.10140	4.0
111.04417	1.6
111.08064	9.5
113.05988	1.8
115.05463	0.7
117.07003	5.3
119.04899	0.7
119.08550	10.6
121.06459	1.7
121.10124	14.6
123.08062	2.1
123.11684	1.5
125.09563	1.7
127.03899	1.5
127.07536	0.9
129.06989	5.6
129.70107	0.6
131.08540	10.5
133.06512	1.5
133.10101	10.1
135.08064	1.8
135.11670	4.6
137.09607	1.4
142.07770	1.5
145.04926	1.4
145.10094	1.2
147.08102	1.6
147.11676	8.9
149.09625	3.8
149.13234	16.0
151.11028	0.7
157.10089	7.0
159.11665	6.4
163.05969	1.0
163.11116	0.7
165.12764	1.5
175.11157	7.7
177.12643	3.9
181.08919	0.7
181.10678	0.7
190.64468	0.7
193.12192	21.0
195.13766	5.3
209.13168	0.7
211.13266	24.5
213.14891	0.7
227.12650	1.2
249.15051	0.8
267.15854	22.0
269.17429	74.1
270.17868	1.8
285.16922	22.1
341.35870	0.9
412.27112	0.8
424.99774	0.8
435.27417	2.1
443.27881	0.8
461.28897	41.4
462.29395	1.6
475.26962	0.8
479.29971	100.0
480.30298	6.1
555.32922	2.1
573.34381	1.7
623.33936	2.1
682.23743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	5.3
65.03930	2.7
67.05501	82.2
68.98171	1.4
69.03430	6.4
69.07066	16.9
70.91732	2.6
71.01358	1.6
71.04989	7.1
73.02906	2.5
79.05486	32.8
81.03410	100.0
81.07048	38.6
83.04980	14.6
83.08614	27.9
85.02889	9.5
85.06530	4.5
87.04484	3.2
91.05473	32.3
93.07038	19.8
95.04963	34.1
95.08596	15.6
97.02885	7.4
97.06527	4.5
97.10165	14.9
99.04426	1.4
99.08112	1.9
105.07022	21.5
107.04951	13.3
107.08596	15.5
108.33207	1.2
109.06516	9.1
109.10148	53.3
110.10458	1.5
111.04438	4.9
111.08070	9.7
115.05421	2.4
117.07018	6.8
119.04948	1.6
119.08577	22.0
121.06504	8.6
121.10111	12.0
123.04475	1.9
123.08036	5.0
125.09622	16.7
129.05450	3.7
129.06990	11.4
131.08560	11.7
133.06482	5.8
133.10110	8.1
135.08069	5.1
135.11658	6.7
137.05991	1.5
137.09598	4.3
139.11195	1.4
139.87265	1.6
142.07773	2.0
143.08563	1.9
145.06474	2.0
145.10106	6.6
147.04442	4.4
147.08043	7.3
147.11635	8.3
149.09595	7.6
149.13278	1.3
153.09135	1.7
153.12735	5.4
155.08578	1.8
155.10643	3.9
157.10132	12.1
159.08075	2.7
159.11714	1.8
161.09586	2.0
163.11177	10.9
165.12785	2.3
171.11638	2.0
173.09593	2.5
173.11761	13.0
173.13133	2.5
175.11148	12.3
177.12790	1.3
181.12228	4.0
185.13266	2.1
187.41623	1.3
189.11189	6.2
191.10629	4.4
193.12224	34.0
199.13252	3.5
203.14238	1.7
205.12256	2.3
209.11708	8.5
211.13255	8.0
217.14262	2.0
219.13815	3.6
223.13211	1.6
227.12752	16.4
229.14320	42.0
231.13835	4.4
235.13112	2.8
241.14343	1.8
247.13371	4.5
249.14848	7.6
259.13156	6.2
267.15900	86.4
268.16269	4.1
273.14935	2.7
273.18442	4.3
283.15393	11.1
293.17352	2.5
301.16470	9.5
309.16992	1.7
321.17084	2.0
333.16876	1.5
349.21582	1.5
355.22769	1.4
365.20908	1.8
367.22714	4.7
373.23807	2.2
383.22104	6.9
385.23764	3.8
399.23709	13.3
401.23169	8.0
403.24530	3.1
409.25772	2.6
419.23984	1.8
421.25769	19.6
422.26663	1.5
457.25745	3.3
458.26633	13.0
459.27118	6.1
475.26749	11.3
476.27710	16.2
477.28354	3.2
493.27829	10.6
511.28854	3.5
518.32001	3.1
591.35352	9.3
679.60712	1.6
737.13324	1.4
774.49622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.53
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62756	1.7
65.03943	4.0
67.05499	69.6
69.03427	6.8
69.07064	43.7
71.04992	4.9
77.03910	3.1
79.05485	58.5
81.03400	12.5
81.07049	84.3
83.04978	12.7
83.08610	15.3
85.02902	2.7
85.06543	4.2
87.04491	2.8
91.05471	79.8
93.07038	59.4
95.01329	10.7
95.04951	18.9
95.08601	46.6
97.02891	2.9
97.06522	36.1
97.10170	6.1
98.23608	3.6
99.04447	2.3
99.08076	2.1
103.05480	2.7
105.04538	4.7
105.07023	100.0
107.04939	21.8
107.08584	32.0
109.06519	8.3
109.10168	15.0
111.08094	4.8
113.05969	2.0
113.09641	2.7
115.05473	2.5
117.07006	21.0
119.08577	52.4
121.06504	4.1
121.10120	11.7
121.10861	1.7
123.04362	2.0
123.08076	6.1
123.11701	2.3
125.09607	2.1
127.03892	2.3
129.07007	7.8
130.07823	2.0
131.08549	33.5
133.10123	58.3
135.08058	5.8
135.11694	13.7
137.09624	4.6
141.07025	3.9
143.08580	6.6
145.06497	3.6
145.10121	24.0
147.08078	2.6
147.11679	20.5
149.09593	15.8
149.13283	9.6
151.11174	2.5
155.08597	3.1
157.10136	5.1
159.11650	17.2
161.13234	5.6
163.11209	10.9
165.09125	3.0
169.10153	4.0
171.11703	4.3
173.13275	5.9
177.12749	5.8
179.14296	12.8
183.11635	2.8
184.07288	1.9
187.11156	4.6
187.14781	2.7
189.12633	2.0
195.13792	3.8
197.13210	2.5
219.17383	4.2
229.19444	2.3
239.17937	3.4
246.02103	2.2
247.20647	3.4
251.16347	2.6
255.15974	10.9
257.18982	10.6
269.17429	18.6
275.20050	88.0
276.20413	3.6
285.75797	1.8
293.21088	6.3
349.23706	50.6
367.24744	5.6
384.58774	1.8
413.21210	3.1
503.33276	3.1
527.36957	1.9
529.35126	22.2
543.36755	69.0
623.33667	2.7
623.42987	35.8
624.42633	2.3
641.43823	8.3
687.41138	2.7
785.61298	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	2.8
65.03939	7.2
67.05502	83.2
69.03427	12.0
69.07063	46.9
69.56719	4.3
71.04996	5.8
77.03957	2.8
79.05489	81.3
79.46743	1.9
81.03413	11.4
81.07052	67.1
83.04990	7.2
83.08619	22.7
85.02930	3.5
85.06542	4.4
86.09727	2.3
87.04473	2.1
91.05475	81.9
93.07038	75.0
95.01304	2.7
95.04977	21.2
95.08601	42.3
97.02896	12.1
97.06528	12.2
97.10160	20.4
98.23434	3.7
103.05458	3.1
105.04528	5.2
105.07027	75.5
105.07742	3.9
107.04945	14.6
107.08590	41.5
109.06522	7.6
109.10135	18.8
111.04435	2.0
111.08080	5.7
115.05469	5.0
117.07011	30.9
119.08575	57.5
121.06503	7.3
121.10142	19.3
123.08089	7.0
123.11739	3.9
125.09629	15.0
128.06250	6.0
129.06992	16.6
130.07811	3.3
131.08557	35.2
131.09456	2.8
133.06497	6.7
133.10124	41.4
135.08081	7.8
135.11685	12.5
137.09665	3.8
141.06985	5.5
142.07751	3.6
143.08553	20.0
145.06470	3.3
145.10100	29.5
147.07993	8.4
147.11684	24.3
149.09581	11.5
149.13251	12.6
153.09097	2.1
155.08577	6.9
157.06636	2.0
157.10141	9.5
159.08002	3.2
159.11685	20.1
161.09608	4.2
161.13251	17.1
162.10422	1.7
163.11223	5.1
165.09097	2.0
167.08513	2.5
169.10124	6.7
171.11674	13.1
172.88666	1.9
173.11787	3.6
173.13272	12.2
175.11195	3.7
175.14827	6.0
177.12770	3.3
181.10068	2.1
183.11711	5.8
184.07396	5.2
185.13266	6.1
187.14827	4.7
189.11212	10.6
193.12212	2.4
195.11668	4.8
195.13820	1.7
197.13269	4.0
199.14786	4.9
201.16299	1.7
205.12234	2.7
207.11754	2.6
208.71750	1.7
209.13353	2.6
211.14980	3.4
213.16458	3.6
223.13216	20.7
223.14905	1.6
227.12717	11.1
231.21202	4.2
235.14970	2.3
237.16348	2.2
241.19458	18.2
249.14746	3.6
251.17992	2.3
257.18942	4.4
259.20551	31.4
269.17493	2.5
273.18579	11.4
275.20053	23.5
291.19522	100.0
292.19849	3.3
299.23553	3.2
310.60367	2.1
315.23184	6.2
333.24188	36.5
333.27835	2.5
349.23788	11.7
365.23215	33.9
379.29929	4.4
398.21954	1.8
525.35638	5.8
529.34869	6.6
531.37848	2.1
541.35388	2.3
543.37042	18.6
553.35016	2.2
605.42102	3.6
623.43054	42.3
641.43829	9.8
709.57172	2.1
785.68054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.8
67.05499	70.1
69.03408	4.2
69.07064	44.2
71.04984	4.3
73.06611	1.6
79.05486	65.3
79.05952	3.4
80.21587	1.4
81.03405	11.9
81.07050	83.6
83.04977	14.8
83.08614	12.8
85.02914	1.9
85.06535	3.3
87.04418	1.4
87.35015	1.5
91.05472	88.5
91.73282	1.4
93.07039	60.7
95.01315	8.2
95.04962	21.2
95.08599	47.6
96.08907	1.9
97.02849	3.8
97.06517	28.3
97.10157	5.7
99.08100	4.4
103.05446	3.3
105.04512	5.2
105.07018	100.0
106.07338	1.8
107.04943	24.4
107.08585	34.3
109.06502	7.7
109.10139	15.2
110.52861	1.6
111.04401	2.0
111.08089	5.1
115.05463	2.5
117.07005	26.0
119.06052	1.7
119.08569	53.8
121.02809	1.5
121.06503	5.1
121.10135	20.0
123.04368	2.3
123.08071	6.4
123.11690	4.3
125.09606	3.4
126.88794	1.4
128.06195	2.0
129.05486	1.7
129.06950	8.7
130.07736	1.6
131.08559	35.2
133.10124	57.3
133.11154	2.8
135.08034	4.6
135.11697	12.9
137.09608	3.6
141.07014	2.6
143.08551	7.2
144.09306	2.4
145.06461	3.7
145.10107	25.8
147.08038	2.7
147.11673	28.2
149.09605	11.1
149.13264	7.6
151.11148	2.8
155.08505	3.4
157.10081	9.2
159.08104	3.0
159.11697	18.4
161.13179	10.3
162.85350	1.7
163.11160	9.0
165.12642	1.6
169.10115	3.1
171.11662	7.0
173.11818	1.5
173.13268	6.5
175.11259	2.4
175.14859	3.0
176.64825	1.7
177.12759	5.8
179.14275	13.0
183.11703	3.7
184.07327	2.3
185.13274	4.6
187.11148	3.7
187.14827	2.1
193.12198	2.4
195.13792	2.9
197.13248	3.8
219.17380	5.1
227.12746	1.9
229.19470	2.0
239.18053	2.4
241.19475	7.1
247.20609	2.5
251.16447	2.2
253.14392	3.0
257.18979	11.1
259.20627	12.1
261.94525	1.4
269.17517	10.4
271.45926	1.5
275.20035	71.3
276.20334	2.0
279.15649	1.9
283.15448	2.1
289.17953	5.0
291.19507	3.3
293.21030	4.4
315.23080	3.8
333.24200	18.7
334.24997	2.3
335.25784	13.9
349.23697	31.1
350.23865	2.0
363.21924	2.3
381.22784	1.8
503.33575	1.8
513.35657	1.6
529.34924	2.5
543.36835	28.2
607.43353	28.5
608.43115	2.0
609.43628	2.2
623.43005	15.3
625.44470	2.6
641.43396	5.1
695.91956	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.53
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66915	1.7
65.03931	5.2
67.05499	94.1
69.03418	7.4
69.07059	27.9
69.16774	3.6
69.17179	9.2
69.94043	2.0
71.04993	9.8
77.03925	3.4
79.05485	71.8
81.03410	6.3
81.07050	80.1
83.04985	11.9
83.08603	11.5
85.02879	3.9
85.06529	8.9
91.05471	100.0
93.06441	4.4
93.07034	79.0
95.04951	19.0
95.08593	40.9
97.06520	9.1
97.10155	3.8
99.08086	2.5
103.05473	5.6
105.04552	4.2
105.07018	97.0
107.04948	8.2
107.08590	57.6
109.06522	10.8
109.10146	55.6
111.08076	5.1
113.06007	2.4
113.09641	1.9
115.05447	3.8
117.07008	32.0
119.08570	59.5
119.09420	3.5
121.06508	6.6
121.10139	23.9
123.08063	7.6
123.11705	10.0
125.09611	4.7
127.07549	4.0
128.06197	5.5
129.06978	15.4
131.08559	33.6
133.06476	4.6
133.10114	98.9
135.08028	7.9
135.11690	18.5
137.09613	4.5
141.06950	3.7
143.08510	14.0
145.06462	3.7
145.10124	27.7
147.08038	5.4
147.11655	31.7
149.09608	7.5
149.13237	8.8
151.11174	31.5
155.08531	3.6
157.10117	16.3
159.08002	2.6
159.11676	20.0
161.09613	8.0
161.13243	22.5
163.11208	4.4
163.14713	2.7
169.10118	6.7
169.12201	7.9
171.11659	15.1
173.09608	2.0
173.13271	12.6
175.11108	4.8
175.14803	7.6
177.12759	3.3
179.10614	2.9
181.10184	2.5
183.11679	5.2
184.07378	3.5
185.13295	8.7
187.11105	3.6
187.14757	5.4
189.12680	3.1
189.16467	3.2
195.11708	3.0
197.13226	5.3
199.11150	3.1
199.14862	9.3
201.16379	3.2
203.14441	2.2
211.14761	2.7
213.16379	3.7
215.12775	4.8
217.19315	2.1
217.22697	1.8
231.21013	5.7
240.00435	2.1
241.19475	22.0
245.18927	5.5
253.14317	86.9
257.18945	6.8
259.20563	66.2
263.20059	6.6
271.15298	2.9
273.18506	18.5
275.20081	6.6
289.17911	4.1
291.19531	23.0
315.23184	12.0
333.24200	58.4
335.25797	5.6
347.22586	4.8
349.23761	3.0
353.28351	3.2
363.21478	2.9
365.23215	32.8
419.29114	2.5
437.30374	5.1
455.31555	6.0
475.69150	2.3
487.34100	3.6
501.35587	4.8
511.34186	17.0
529.35303	25.9
531.38171	4.7
543.36456	2.8
549.38965	3.0
605.42053	9.8
623.42969	50.3
624.43054	3.7
636.89093	2.0
641.43610	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	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85077	1.2
65.03935	4.2
67.05499	53.1
69.03416	3.6
69.06708	2.3
69.07062	36.7
69.46136	4.8
71.04990	3.4
79.05486	53.6
79.05951	2.9
79.08699	1.6
81.03396	10.8
81.07050	66.8
82.07378	1.5
83.04971	8.8
83.08614	10.5
84.41894	1.6
85.02887	1.5
85.06550	3.9
87.04463	2.7
91.05473	58.3
93.07037	48.0
95.01328	7.3
95.04961	17.3
95.08598	31.8
95.09208	1.9
97.02915	1.7
97.06521	34.4
97.10174	5.7
99.08090	3.8
103.05433	2.3
105.04512	2.8
105.07019	76.8
107.04945	17.9
107.08586	27.9
109.06494	7.4
109.10148	11.5
111.08098	3.7
115.05426	1.7
117.07025	22.0
119.08570	43.9
121.06491	4.7
121.10165	15.0
123.04427	2.1
123.08056	4.5
123.11666	2.2
125.09612	3.8
128.06233	2.1
129.05469	1.9
129.06998	4.4
130.07791	2.1
131.08553	22.5
133.06500	1.7
133.10114	44.6
135.08037	6.2
135.11685	15.7
137.09666	4.1
139.07568	2.5
141.06990	2.7
142.07669	1.5
143.08536	5.0
145.06549	2.5
145.10097	23.2
147.08051	2.5
147.11682	16.9
149.09612	12.2
149.13248	9.6
151.11166	3.4
155.08531	3.0
157.10103	3.8
159.11703	12.5
161.13199	6.6
163.11150	7.3
165.09084	2.3
169.10124	1.8
171.11658	4.3
173.13234	5.9
175.11195	2.0
177.12767	4.6
179.14304	12.8
183.11720	3.7
185.13246	2.6
187.11165	2.8
187.14856	1.6
195.13847	3.0
197.13249	3.8
201.12726	2.0
213.16312	2.0
219.17401	1.4
220.67049	1.3
227.12645	2.9
229.19514	3.6
239.17857	2.7
241.19489	1.8
247.20534	3.6
251.16446	3.8
255.15817	8.0
257.18915	10.4
259.20541	2.9
269.17432	26.8
275.20035	84.9
276.20334	3.5
279.15744	2.1
291.19470	7.3
293.21091	6.1
331.22617	2.7
333.23978	3.2
335.25467	1.6
349.23721	51.8
350.23920	3.1
365.23196	2.4
367.24707	4.2
525.35919	2.5
529.35254	21.4
543.36749	100.0
544.36755	6.1
623.33740	2.2
623.42999	28.4
641.44293	7.8
687.40277	3.9
839.44720	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	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.0
67.05502	39.7
69.03418	3.5
69.07060	25.8
70.05106	1.6
71.04989	2.8
71.42045	2.2
77.03910	2.2
79.05483	42.2
81.03413	8.2
81.07048	46.2
83.04964	7.8
83.08585	9.3
91.05474	54.7
93.07029	29.2
95.01316	6.8
95.04967	12.8
95.08600	23.7
97.06525	24.3
97.10163	16.6
105.04515	2.9
105.07021	62.8
107.04966	14.7
107.08579	31.0
109.06496	5.9
109.10139	10.9
117.07003	13.7
119.08566	31.9
121.06506	3.2
121.10111	8.8
123.08054	3.8
123.11691	2.2
125.09635	11.1
129.06964	3.3
131.08559	18.8
133.10129	30.2
134.94363	1.6
135.08055	4.3
135.11685	7.1
143.08551	4.8
145.10114	18.7
147.08043	2.7
147.11700	14.6
149.09602	9.4
149.13197	3.3
151.11160	2.4
157.10101	3.1
159.11682	11.7
161.13261	4.5
163.11136	6.2
171.10139	2.6
171.11662	4.7
173.13237	3.0
177.12787	5.1
179.14328	8.3
183.11481	1.9
184.07314	3.9
185.13316	1.9
189.11194	8.4
219.17416	2.9
227.12691	16.4
257.18976	9.4
275.20062	70.0
276.20255	2.3
279.22263	2.0
291.19434	2.3
293.21072	4.3
349.23724	47.4
350.24387	2.3
384.36389	2.1
519.32837	7.1
529.35046	2.3
623.42981	100.0
624.42999	8.2
641.43298	6.1
663.37628	3.6
743.06793	2.2
838.45660	3.1
839.44989	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	839.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.0
65.41891	0.9
69.03419	2.1
69.24372	5.5
74.35458	0.9
77.44294	0.9
78.53886	0.8
79.05473	0.9
80.05018	1.4
85.02896	3.4
91.05470	1.8
93.07017	1.6
94.06557	5.7
95.04942	0.9
95.07330	1.6
96.08128	6.5
97.02882	1.5
108.04456	1.2
108.08116	9.6
109.02856	1.2
110.09670	6.6
112.72758	0.9
116.04987	2.1
118.06472	1.0
120.04454	3.4
120.08081	6.1
120.18608	0.9
122.06038	5.2
122.09676	0.8
123.06801	0.9
124.07586	5.7
134.06009	2.5
136.07570	10.4
138.09143	9.7
140.76062	0.8
144.04436	4.0
146.05992	6.2
148.07561	4.1
150.09125	1.7
152.07056	3.4
152.57794	0.8
159.91669	0.9
160.03931	3.1
162.05533	4.2
164.07065	2.1
166.08633	14.2
172.03912	23.5
172.05331	1.8
174.05525	2.5
176.07059	4.3
178.05109	1.0
190.04953	16.9
197.10698	1.3
204.06535	44.0
205.06946	1.2
210.11646	0.9
211.08621	1.2
212.09389	1.7
213.10233	3.6
215.11819	2.3
223.12346	1.1
225.10236	2.7
226.08586	1.1
226.10796	1.1
227.11736	1.5
236.09462	1.6
237.10181	2.7
238.11076	1.7
239.11761	1.7
241.09760	2.7
243.11299	10.6
249.10199	1.4
251.08240	0.9
251.11790	2.3
253.09668	1.6
255.11197	1.5
257.12744	1.9
262.08530	1.1
263.08264	1.3
264.09042	1.7
265.09650	1.9
267.11087	1.4
269.09229	2.8
269.12778	1.1
271.10831	2.3
273.12329	4.6
277.09665	1.8
279.11240	4.7
283.10617	4.6
285.12350	16.8
287.10220	7.0
297.12332	8.9
299.10208	1.9
299.13812	3.0
301.11810	1.9
302.12708	1.4
303.13358	21.0
304.14029	1.0
307.10684	3.0
311.10266	1.2
313.11774	2.7
316.14417	1.7
323.10233	4.7
325.11749	22.0
326.12527	1.6
327.13474	2.1
328.14328	1.4
329.11584	1.5
330.12369	2.9
331.13409	1.2
343.12921	3.5
344.13849	2.7
345.14581	1.1
346.15387	1.8
354.12289	1.4
355.60205	1.0
357.14423	21.9
358.15485	5.7
370.11694	1.1
371.12570	2.3
372.13373	4.4
373.14212	1.3
374.14767	2.8
376.16449	1.2
377.17075	1.0
385.14175	2.1
386.14972	8.3
387.15540	6.4
388.16632	1.3
392.15829	1.2
401.13602	1.6
402.18420	1.9
403.15561	1.0
404.16095	4.9
406.17474	2.8
414.14413	12.2
415.15271	21.4
416.15778	3.0
418.17807	2.3
420.15601	6.0
426.14780	1.0
428.15958	2.1
430.17245	3.0
432.15463	14.3
438.16061	1.7
444.15518	3.1
446.17047	5.5
456.15344	6.3
462.16483	6.8
469.16309	1.2
474.16528	25.6
487.17154	7.7
494.18915	3.4
506.19257	10.4
519.19757	1.1
581.65967	1.0
583.25574	1.4
585.23218	3.7
599.24231	1.7
609.23047	4.2
627.24390	100.0
628.24457	6.7
659.16565	1.8
659.27081	26.4
660.26758	1.6
789.29773	19.8
821.31683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.6
61.02914	3.4
65.03925	8.4
67.05161	5.4
67.05502	95.0
69.03413	8.2
69.07066	36.2
71.04974	7.9
79.05488	100.0
81.03411	9.5
81.07053	99.7
82.07398	3.3
83.04958	9.9
83.08603	22.2
85.02889	5.9
86.09701	7.9
91.05476	90.6
93.07042	87.5
95.04963	25.6
95.08600	56.5
97.02905	4.3
97.06520	12.0
97.10146	12.0
99.04426	3.3
99.08059	3.7
105.04485	4.0
105.06342	6.0
105.07028	90.4
107.04956	9.0
107.08600	49.4
109.06486	7.1
109.10150	23.4
111.08092	6.5
115.05429	4.0
115.74584	3.4
117.06997	40.0
117.93463	2.4
119.08566	72.3
121.06475	6.3
121.10138	36.9
123.08054	5.0
123.11713	6.8
125.00019	6.7
125.09648	4.9
127.03880	3.7
128.06215	6.1
129.05515	3.7
129.06999	22.4
131.08560	38.1
133.10129	53.6
133.28427	3.1
135.08043	6.5
135.11681	24.3
137.09586	3.2
141.06969	9.5
142.07806	4.5
143.08571	23.4
145.10115	36.6
147.08018	4.4
147.11668	35.6
149.09622	9.4
149.13260	14.0
155.08530	10.6
157.10156	22.9
159.11691	27.7
161.13232	19.8
163.11188	11.1
163.14731	3.6
167.08540	6.2
169.10104	11.4
171.11722	21.0
173.13223	18.8
175.11234	4.5
175.14780	5.7
177.12743	3.6
181.10077	8.7
183.11694	11.5
184.07338	18.3
185.13220	12.1
187.11246	3.2
187.14819	5.8
193.10153	3.9
193.12289	3.6
195.11743	7.0
195.13701	3.1
197.13232	6.5
199.11618	3.1
199.14856	7.7
201.16408	3.6
209.13284	4.1
211.14865	4.6
219.11601	3.3
227.17970	3.9
229.13976	4.5
231.20995	3.5
239.17952	4.2
241.19505	11.6
247.20467	3.6
255.15866	7.0
257.18976	4.9
259.20593	36.7
269.17520	14.4
273.18512	3.1
275.20023	27.2
315.23114	5.8
333.24258	34.0
335.49585	3.4
349.23694	11.9
367.24927	3.3
421.31088	4.4
435.32837	4.5
439.31424	3.7
513.35510	13.1
515.38757	5.4
525.72607	3.9
527.37256	18.5
545.37665	6.2
551.40265	3.8
597.45258	3.5
607.43689	23.9
625.44373	31.4
840.44330	5.2
841.46045	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	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	6.0
67.05194	3.5
67.05498	92.0
69.03410	7.2
69.07065	40.4
69.30295	15.3
71.05011	5.7
79.05488	91.7
81.03435	9.3
81.07053	100.0
82.50470	4.2
83.04962	10.8
83.08601	16.4
84.35881	4.3
85.02894	5.0
85.84813	4.0
88.24295	3.5
91.03922	4.1
91.05473	83.4
93.07043	88.3
95.04968	18.2
95.08602	51.7
97.02908	6.5
97.06512	17.5
97.10150	8.0
99.08148	4.4
105.04459	4.0
105.07024	84.3
107.04937	8.2
107.08585	47.5
109.06459	7.4
109.10146	15.9
111.08060	10.6
115.05478	6.8
117.07005	35.2
119.08574	62.7
121.10130	31.9
123.08070	8.2
123.11703	8.4
127.03831	4.1
128.25575	3.9
129.07004	22.5
131.08548	43.7
133.10126	57.3
135.08044	3.5
135.11694	23.3
137.09651	5.4
141.07014	7.2
143.08565	24.7
145.10129	38.1
147.08061	5.1
147.11674	35.8
149.09601	8.7
149.13268	9.3
151.11174	5.5
153.07018	4.4
155.08524	11.4
157.10101	20.5
159.11673	31.2
161.13242	15.3
163.11118	8.8
165.07048	3.6
167.08571	5.5
169.10135	16.4
171.11682	19.9
173.13237	14.7
175.11247	5.5
175.14847	8.0
177.12744	4.3
181.10100	7.0
183.11731	8.0
185.13257	12.7
187.14819	4.6
195.11682	9.9
195.13748	4.9
199.14825	7.8
209.13245	6.5
211.14783	7.3
213.16493	4.5
225.16348	4.5
239.17947	5.0
241.19470	13.7
255.15900	10.5
259.20544	37.6
267.15845	4.8
269.17432	11.4
275.19916	18.4
298.66205	3.9
315.23120	6.1
333.24252	44.4
349.23584	12.3
379.29871	5.1
426.17435	4.1
435.32471	9.4
453.33771	6.1
513.35675	24.3
515.37836	7.4
525.35211	4.8
527.37396	36.5
528.37830	5.6
545.37427	5.4
607.43549	27.5
625.44391	26.1
751.76520	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	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.6
65.03938	7.8
67.05502	90.9
67.05865	5.4
69.03419	6.8
69.07067	32.2
71.04994	5.4
73.02934	3.0
77.03916	3.5
79.05486	81.2
81.03414	10.7
81.07053	88.5
83.04988	10.3
83.08611	15.5
85.02894	3.1
85.06545	6.4
91.05473	100.0
92.05787	2.3
93.07037	90.5
95.04960	19.6
95.08596	52.8
97.02904	5.6
97.06527	12.7
97.10167	9.3
99.08116	3.7
103.05457	2.9
105.04536	5.4
105.07021	85.9
106.07375	3.0
107.04912	10.3
107.08586	46.5
109.06506	9.7
109.10168	19.4
111.08099	5.9
111.19525	2.2
115.05416	4.6
117.07013	25.6
119.08577	59.7
121.06503	6.0
121.10131	30.3
123.08080	4.7
123.11725	7.0
127.03988	2.4
128.06219	6.3
129.05490	3.4
129.06976	21.1
130.07777	3.2
131.08556	37.9
133.06444	3.2
133.10117	49.2
135.08054	4.8
135.11684	23.7
137.09555	4.3
141.06984	5.5
142.07700	3.2
143.08548	17.2
145.06494	2.8
145.10110	34.4
147.08069	3.9
147.11674	33.7
149.09601	8.5
149.13179	11.0
155.08556	8.8
157.10115	17.3
159.11671	28.3
161.13237	18.0
163.11159	6.4
167.08562	5.2
169.10115	9.1
171.11665	17.5
173.04443	2.8
173.13261	14.3
175.14813	6.7
177.12709	3.6
179.08549	3.4
181.10101	5.2
183.10223	2.6
183.11639	11.6
185.13269	14.2
187.11200	2.9
187.14795	5.7
195.11777	4.7
195.13803	4.7
197.13257	6.9
199.14764	6.5
203.14412	2.3
207.11760	3.6
209.13199	3.7
211.14841	5.1
213.16467	2.8
221.13397	2.9
223.14908	3.6
241.19490	10.7
253.14436	2.6
255.15871	10.5
257.19064	4.2
259.20566	39.8
261.22098	3.3
267.15927	5.6
269.17346	18.5
273.18719	4.0
275.20148	12.7
309.22253	2.8
315.23102	6.0
333.24194	41.0
335.25784	3.2
349.23886	7.4
350.24048	2.5
355.27017	3.3
367.24982	2.4
369.27591	2.3
435.32486	8.7
453.33725	4.6
471.34784	3.8
509.36111	4.2
513.35815	12.0
515.37903	4.3
527.37299	53.0
528.38074	2.7
545.38367	8.7
607.43341	13.8
625.44653	20.5
635.85632	2.3
671.41193	3.0
689.41553	2.5
694.11090	2.2
783.89465	2.4
841.46326	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	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.2
59.63587	1.0
61.02924	6.4
65.03938	6.7
67.05497	100.0
69.03415	10.2
69.07059	35.9
69.78817	3.6
71.04978	6.1
73.02898	2.1
77.03910	3.8
79.05483	95.3
80.05824	2.3
81.03413	10.1
81.07046	90.3
81.40836	1.3
83.04972	9.8
83.08602	14.8
84.58187	1.1
85.02901	8.5
85.03734	1.1
85.06536	4.0
86.09698	2.2
87.00469	1.1
87.04469	1.2
91.03944	3.4
91.05470	97.8
93.07035	86.2
93.07494	1.0
95.04958	20.3
95.08597	65.9
97.02891	7.6
97.06528	11.9
97.10149	9.2
99.04454	1.5
99.08065	3.1
103.03971	1.2
103.05461	4.1
105.04532	7.3
105.07017	89.8
106.07371	1.8
107.04945	6.4
107.08580	50.1
109.02859	2.5
109.06519	8.3
109.10149	26.5
111.08064	5.8
115.05403	6.4
116.06222	2.8
117.07009	44.5
119.04926	1.4
119.08566	68.4
121.06477	3.9
121.10119	28.0
123.08053	7.6
123.11682	6.5
125.09620	5.2
127.03905	4.5
128.06206	11.3
129.05443	3.5
129.06984	25.0
130.07764	4.7
131.08545	47.6
133.06442	2.9
133.10112	41.5
135.08043	5.3
135.11673	19.9
137.09612	4.1
139.11137	1.7
141.06955	8.7
142.07805	6.7
143.08546	24.3
144.09325	1.6
145.04938	1.7
145.06441	1.1
145.10098	41.0
146.10553	1.0
147.08012	3.3
147.11670	30.5
147.57204	1.1
149.09576	7.8
149.13232	14.6
151.11156	3.4
153.06985	2.7
154.07709	1.5
155.08525	17.4
156.09312	2.5
157.10110	25.6
158.07310	1.1
158.10710	1.1
159.08046	1.7
159.11668	34.6
160.11964	1.3
161.09624	3.0
161.13242	15.9
163.11172	4.1
163.14854	2.8
165.06975	2.2
165.12680	1.5
166.07727	1.4
167.08524	6.6
168.09277	3.3
169.10098	18.9
171.08032	1.6
171.11659	20.5
172.12144	1.9
173.04555	1.9
173.09705	1.6
173.11766	2.0
173.13226	20.1
175.11171	3.0
175.14836	6.5
177.12701	3.6
178.07617	1.1
179.08556	3.3
179.14311	1.9
180.09322	1.2
181.10071	8.8
182.10809	1.6
183.11665	13.9
184.07307	3.7
184.12317	1.3
185.11714	1.8
185.13229	15.7
187.11176	2.0
187.13332	1.6
187.14783	7.8
189.11191	2.0
189.12735	1.6
189.16391	2.1
192.09334	1.2
193.10075	3.1
193.12158	1.3
194.10966	1.4
195.11671	11.8
195.13734	3.1
196.12453	1.3
197.13260	12.8
199.11259	1.5
199.14806	10.4
201.12735	1.6
201.16347	3.7
205.15808	1.6
207.11691	3.1
209.13220	9.1
211.14859	7.7
213.16354	4.6
215.18047	2.9
217.15982	1.7
221.13301	2.1
223.14754	5.7
225.16354	5.3
227.12697	3.1
227.17921	3.1
229.14343	4.2
229.19566	2.6
231.17365	2.1
231.21088	2.8
235.14841	1.6
237.16331	4.1
239.17899	4.2
241.19612	8.1
243.21053	2.0
247.20595	1.4
249.16423	1.5
251.18008	1.8
253.19666	1.7
257.19058	8.2
259.20520	21.5
261.22076	1.9
267.15967	2.2
269.17303	9.5
271.20587	2.5
273.18451	4.9
273.21735	1.3
275.20108	8.8
277.21707	3.2
279.20755	1.9
283.20563	1.5
285.22043	1.7
291.19379	2.3
297.22116	3.4
301.21497	1.8
309.22070	1.6
311.23642	2.4
313.21582	2.0
315.23160	5.3
323.23538	1.4
325.21622	1.9
325.25137	2.3
327.23035	1.5
329.24512	2.2
331.22699	2.2
333.24207	18.2
335.26013	6.5
337.25186	1.7
339.23093	1.5
339.26718	1.8
349.24005	4.5
353.24521	1.3
365.28281	1.8
369.24191	1.2
377.27713	1.7
393.27084	1.3
405.31509	1.5
411.28867	1.3
417.31662	1.5
421.30991	1.5
423.32535	1.4
433.30368	1.7
435.32291	4.5
447.31906	1.3
453.33743	3.0
487.33765	2.7
501.35428	2.4
513.35675	3.6
515.36884	2.7
517.40015	4.6
527.37329	17.0
528.37213	1.4
533.39795	1.8
545.38287	4.7
591.44232	2.9
607.43597	6.5
609.45074	37.9
610.45227	3.9
625.44635	10.7
841.46106	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	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	7.2
67.05496	75.4
67.52670	2.5
69.03418	9.9
69.07050	26.6
71.04982	7.7
77.03907	3.4
79.05042	5.9
79.05485	85.9
81.03426	5.6
81.07049	69.0
83.04963	11.2
83.08599	32.0
85.06523	7.1
86.09698	17.4
88.82459	2.6
89.56329	2.7
91.05470	77.4
93.07030	73.8
95.04958	11.0
95.08593	49.8
97.02899	4.3
97.06504	9.5
97.09583	4.4
97.10164	41.1
105.04495	3.7
105.07016	80.7
107.04911	9.7
107.08585	74.1
109.06491	7.5
109.10155	29.8
111.08068	5.4
115.05434	3.1
117.06995	28.8
119.08569	57.8
121.06483	3.4
121.10132	24.0
123.08015	4.0
123.11720	17.3
125.00006	12.6
125.09604	34.1
128.06247	3.3
129.07018	17.3
131.08556	35.3
133.10117	49.6
135.08023	9.4
135.11687	17.7
141.06961	5.8
142.07799	4.1
143.08551	23.1
145.10089	33.9
147.11673	34.2
149.09595	7.0
149.13263	7.1
155.08559	11.1
157.10146	20.3
159.11684	23.8
161.09570	3.1
161.13261	14.1
163.11278	4.5
163.14920	3.9
167.08505	4.8
169.10091	14.2
171.10252	5.6
171.11667	21.7
173.13249	15.2
175.11217	3.6
175.14801	4.2
181.10074	4.4
183.11610	15.4
184.07298	50.4
185.13252	14.2
187.13274	6.3
187.14803	6.7
189.11200	20.3
195.11659	10.4
197.13228	12.8
199.14810	11.3
201.16287	6.1
209.13297	7.4
211.14786	7.6
213.16280	5.6
223.14767	5.4
225.16414	5.4
227.12744	28.7
228.94391	3.7
231.21034	3.5
235.14752	3.4
237.16438	3.6
239.17891	5.6
241.19513	14.7
243.15837	5.5
245.13705	4.9
257.18954	7.0
259.20566	21.9
267.21005	3.4
275.05624	2.9
275.19986	20.0
297.22168	4.6
299.09842	3.0
315.23166	6.0
325.51852	3.2
329.17218	6.3
333.24149	30.8
349.23819	20.1
363.26605	3.2
365.28412	15.0
421.30783	6.1
439.31824	6.1
503.33450	8.4
513.35657	13.4
515.38550	10.4
533.39435	4.1
543.36212	5.9
551.40417	5.1
607.43475	58.1
608.43823	3.2
622.92139	3.0
625.35034	5.3
625.44562	100.0
626.44781	8.7
840.44843	10.7
841.46893	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81545	1.3
65.64741	1.4
69.03408	5.7
71.43663	2.0
79.05469	2.2
80.05023	2.2
80.46314	1.4
82.06585	2.1
85.02901	7.3
87.37961	1.6
91.05445	3.3
93.07035	3.2
94.06554	10.3
95.07331	3.4
96.08138	10.5
97.02891	3.6
104.23134	1.7
106.06561	7.2
107.07308	1.5
107.09898	1.4
107.23300	1.6
108.04455	2.3
108.08097	18.6
110.06049	2.1
110.09674	21.2
120.04450	5.1
120.08084	17.4
122.06033	17.6
122.09642	5.3
124.07589	11.7
134.05952	2.6
134.09627	2.0
136.07565	20.4
138.05374	2.0
138.09134	28.2
140.07040	2.6
144.04390	4.2
144.15691	1.7
146.05978	24.9
148.07532	17.2
150.09148	14.7
152.07028	18.7
154.88675	1.6
160.07565	2.2
162.05507	3.5
164.07079	13.7
166.08623	85.6
167.08952	3.1
172.03926	22.1
176.07179	2.7
182.08141	3.4
182.59021	1.6
190.04964	21.6
194.46564	1.6
197.10770	3.7
198.11551	2.9
199.12221	2.8
204.06535	39.4
209.10745	2.2
210.11499	3.8
211.12270	7.1
212.13074	2.9
218.08052	3.5
220.09789	1.8
223.12302	4.3
225.10178	6.7
225.13797	3.0
226.10825	2.9
227.11768	5.9
232.40964	1.5
235.08748	3.1
235.12271	2.8
236.09204	2.9
237.10164	8.0
237.13829	2.3
238.10995	7.3
239.11752	12.9
240.12753	1.7
241.13237	3.4
243.11330	1.9
245.12827	1.9
246.07600	4.3
248.09486	3.1
249.10254	14.8
250.10939	8.9
251.11731	16.9
252.12520	5.6
253.09915	1.7
253.13368	9.5
255.11223	5.0
257.12830	3.5
259.14346	2.0
262.07120	1.9
262.11163	1.7
263.11777	32.1
264.08963	2.8
264.12506	7.0
265.09698	5.9
265.13321	19.4
266.10312	6.1
267.11218	11.8
268.11951	3.2
269.12735	5.6
271.10764	3.0
271.14328	6.2
273.12347	3.8
275.11896	1.9
276.09061	1.7
277.09634	4.1
278.10413	5.8
278.37872	2.0
279.11273	27.4
280.11819	3.3
281.12793	16.7
283.10721	5.8
283.13809	1.6
284.11554	4.2
285.12280	17.0
287.13791	3.6
291.11206	28.9
292.11938	6.0
293.09518	1.7
293.12811	28.5
295.10742	7.7
296.11511	4.1
297.12311	45.3
298.13031	5.6
299.13867	28.9
305.14746	2.7
307.10666	4.5
309.12311	24.7
310.12933	3.2
311.10333	3.7
311.13754	19.2
312.14075	1.9
315.13400	21.8
319.10782	24.9
321.12357	5.3
323.10303	9.0
323.16141	2.9
325.08136	2.2
325.11801	33.0
326.12323	2.1
327.13449	6.5
337.11768	100.0
338.12137	5.6
339.13287	8.2
341.11230	1.9
343.12686	3.6
351.13187	1.8
355.12805	6.1
357.14462	16.9
369.14380	8.9
370.15356	2.8
371.15915	3.1
373.13870	4.1
399.15485	2.8
400.16431	2.0
401.13412	11.7
402.18039	2.1
404.20004	1.9
416.15939	2.3
418.17032	1.7
430.17529	2.2
432.19232	2.7
440.16016	2.2
444.19025	3.9
446.20709	5.0
448.22635	2.4
449.19592	1.8
450.20023	4.6
458.16953	3.9
462.20419	7.1
464.22083	32.5
465.22177	2.4
472.18436	6.7
474.19943	3.6
476.18039	3.9
477.18555	2.4
482.19162	4.5
487.16989	7.5
490.19702	57.5
491.20038	3.6
492.21472	2.6
494.18875	1.9
506.22687	2.7
508.20566	5.6
519.19580	2.2
522.22418	30.6
523.23151	2.7
587.24683	2.5
603.27832	3.9
611.25305	11.0
612.25311	2.1
626.26978	42.0
627.27032	2.3
629.25836	18.5
630.26257	2.2
634.23828	4.7
643.26746	1.7
647.27026	52.2
648.27155	4.6
652.24921	78.2
653.24701	5.8
679.29376	10.2
684.27496	27.2
685.27716	3.7
731.99469	1.6
773.30145	2.1
791.30688	3.1
809.32068	17.0
810.31317	2.0
841.34448	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	841.47
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02924	3.2
62.65576	0.7
65.27009	0.6
67.05499	9.3
68.05847	0.8
69.03425	2.3
69.05701	3.1
69.06102	1.1
69.07069	5.8
71.04985	0.9
71.08626	0.8
72.67723	0.6
73.02913	2.2
79.05486	8.1
80.05786	0.8
81.03423	2.1
81.07048	9.7
83.04974	1.8
83.08599	2.1
85.02879	3.0
86.09743	0.8
91.03970	2.0
91.05471	6.4
92.05822	0.8
93.07037	7.1
94.07377	0.9
94.92168	0.6
95.04980	2.7
95.08591	5.7
96.08967	0.6
97.02900	3.5
97.06525	1.8
97.10176	1.7
98.23460	1.0
99.04453	0.6
101.02386	1.6
104.91735	0.5
105.07014	5.3
107.04977	1.8
107.08584	4.0
109.02889	0.7
109.10159	1.5
115.05446	0.8
117.07030	1.7
119.08592	3.8
120.08891	0.6
121.10189	1.9
123.08073	0.7
125.09638	1.2
127.03917	0.8
127.40731	0.6
129.07047	1.0
129.70691	0.5
131.08577	2.9
133.10112	3.2
135.11725	1.7
145.10175	1.5
147.11732	1.4
149.09663	1.0
149.13329	1.5
157.10207	1.0
159.11696	1.0
163.11209	1.1
177.13023	0.7
179.14394	2.6
180.14806	0.7
184.07401	2.7
223.13429	2.1
230.14481	0.6
243.08482	3.7
269.17548	1.1
273.18576	0.9
275.20163	2.1
276.20337	0.8
277.21664	1.4
278.21915	0.8
291.19635	1.5
315.19345	3.3
331.18872	1.2
335.25882	1.1
336.26160	1.0
351.25363	0.9
371.22006	1.1
519.18738	0.6
533.27185	7.1
546.38727	2.5
549.26672	7.2
626.44965	2.6
841.46954	100.0
842.47278	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	841.4699
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02917	5.0
67.05505	11.2
69.03428	3.1
69.07063	5.6
71.01344	1.1
73.02916	4.9
79.05491	8.3
81.03419	3.8
81.07042	9.5
81.74925	0.8
82.07436	0.9
83.04979	2.2
83.08618	1.9
85.02924	2.9
91.03956	2.6
91.05479	7.8
93.07027	6.9
95.01333	1.2
95.04981	2.4
95.08594	6.4
97.02895	4.4
97.06522	1.6
97.10231	1.0
101.02364	1.9
105.07006	7.3
107.04951	2.2
107.08585	6.0
109.02860	1.0
109.06546	1.1
109.10182	2.6
117.07032	2.6
119.08586	3.5
121.06497	0.8
121.10126	2.2
123.08062	0.9
127.03931	1.2
129.06987	1.5
131.08601	2.6
131.84077	0.8
133.10063	4.1
135.11739	1.5
145.10188	2.5
147.11745	1.0
148.12079	1.3
149.09673	1.0
157.10156	1.1
159.11722	2.2
243.08475	2.0
275.20267	1.5
287.51520	1.0
308.76471	1.0
313.17899	1.0
315.19455	3.2
331.18842	0.9
335.25851	1.7
336.26181	2.2
352.89789	0.9
456.20215	1.0
531.25604	1.5
533.27338	10.4
541.55524	0.8
549.26666	4.5
557.09711	0.9
564.55243	0.9
605.29736	1.4
608.43634	1.0
626.44800	1.3
743.39716	3.4
772.39789	0.9
823.45905	10.0
841.46948	100.0
842.47253	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	842.561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	2.4
60.08149	3.4
61.02923	3.8
65.03930	4.3
67.05501	93.2
69.03407	2.8
69.07063	23.2
71.04987	5.8
71.07372	3.7
71.42029	2.1
73.02915	3.3
75.01662	2.0
77.67249	2.1
79.05489	51.3
81.03407	5.5
81.07053	84.1
83.04971	5.8
83.08609	16.0
85.02893	4.6
85.06538	4.4
86.09705	28.1
91.05478	39.2
93.05069	2.0
93.07041	52.6
95.04974	11.8
95.08607	41.9
97.02893	3.1
97.06501	7.8
97.10162	9.9
98.98440	2.7
101.02319	2.3
101.74465	1.9
105.04485	2.9
105.07018	31.3
107.04960	5.2
107.08590	34.6
109.06515	4.6
109.10144	45.8
111.08092	5.3
117.07015	8.8
119.08578	22.1
121.06487	2.1
121.10133	24.5
123.11684	6.4
124.99999	17.3
125.09630	6.9
129.06970	3.6
131.08556	15.7
133.10110	16.7
135.11652	13.4
137.09616	4.0
143.08549	5.7
145.10118	14.6
147.11694	12.6
149.09599	4.6
149.13237	8.9
149.71123	1.9
151.31355	1.8
157.10075	4.8
159.11717	9.9
161.13280	5.3
163.11174	3.9
163.14825	4.0
171.11588	3.5
173.11743	8.3
173.13136	4.1
175.11148	1.9
175.14861	2.2
177.12607	2.0
183.11626	2.4
184.07335	100.0
185.13316	4.5
187.14949	2.4
189.11249	3.5
191.14224	1.9
227.12808	13.0
229.14333	39.6
239.17856	2.8
243.21159	3.5
245.14214	2.7
257.18896	4.5
261.22134	11.0
269.17474	17.6
275.20010	20.9
280.08575	2.0
291.15469	2.2
293.21146	4.8
333.24020	3.2
335.25766	91.5
336.26291	3.5
349.23749	14.6
367.24860	11.6
489.35864	25.9
507.36578	2.6
515.36774	2.4
529.38806	36.3
569.41412	3.3
609.45044	26.4
627.46191	20.4
646.80530	2.3
779.72931	2.3
842.46796	14.3
843.48431	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76778	0.7
61.02925	6.8
61.77268	0.8
63.68262	0.6
67.05507	5.4
69.03434	5.3
69.07041	1.4
70.06593	1.7
71.01365	1.0
71.04987	1.4
73.02917	5.9
79.05482	4.1
81.03407	5.0
81.07050	5.7
83.04973	0.8
83.08568	1.4
85.02898	7.6
87.04465	1.0
91.03955	4.8
91.05460	3.7
93.07046	3.3
95.04964	2.3
95.08602	2.3
96.08144	3.2
97.02899	5.1
97.10104	0.9
99.04449	1.4
101.02393	2.5
105.07021	2.5
106.85040	0.6
107.04972	1.2
107.08573	1.7
109.02885	0.8
109.10191	0.9
119.08572	2.1
121.10143	1.2
127.03922	2.2
133.10147	1.5
135.11736	1.2
147.11684	1.3
149.09576	0.8
149.13304	1.7
157.10133	1.3
159.11682	0.7
163.11165	0.8
185.04193	1.1
193.12265	2.0
195.24991	0.6
201.03787	0.7
211.13344	1.0
235.13036	1.3
243.08470	2.8
292.02084	0.7
301.08875	0.9
307.15256	0.9
347.09607	2.0
373.11063	1.0
400.57559	0.7
405.13629	6.1
453.20956	5.5
469.20383	8.4
474.43375	1.0
501.22836	2.1
615.25946	3.5
631.25861	6.4
632.39191	0.8
681.34015	1.7
745.35370	1.2
799.10376	0.8
843.39972	100.0
844.40228	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	843.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76778	0.7
61.02925	6.8
61.77268	0.8
63.68262	0.6
67.05507	5.4
69.03434	5.3
69.07041	1.4
70.06593	1.7
71.01365	1.0
71.04987	1.4
73.02917	5.9
79.05482	4.1
81.03407	5.0
81.07050	5.7
83.04973	0.8
83.08568	1.4
85.02898	7.6
87.04465	1.0
91.03955	4.8
91.05460	3.7
93.07046	3.3
95.04964	2.3
95.08602	2.3
96.08144	3.2
97.02899	5.1
97.10104	0.9
99.04449	1.4
101.02393	2.5
105.07021	2.5
106.85040	0.6
107.04972	1.2
107.08573	1.7
109.02885	0.8
109.10191	0.9
119.08572	2.1
121.10143	1.2
127.03922	2.2
133.10147	1.5
135.11736	1.2
147.11684	1.3
149.09576	0.8
149.13304	1.7
157.10133	1.3
159.11682	0.7
163.11165	0.8
185.04193	1.1
193.12265	2.0
195.24991	0.6
201.03787	0.7
211.13344	1.0
235.13036	1.3
243.08470	2.8
292.02084	0.7
301.08875	0.9
307.15256	0.9
347.09607	2.0
373.11063	1.0
400.57559	0.7
405.13629	6.1
453.20956	5.5
469.20383	8.4
474.43375	1.0
501.22836	2.1
615.25946	3.5
631.25861	6.4
632.39191	0.8
681.34015	1.7
745.35370	1.2
799.10376	0.8
843.39972	100.0
844.40228	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	843.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.7
61.78102	1.1
67.05499	5.8
69.03417	3.3
69.07070	1.6
71.04994	2.7
73.02910	1.7
79.05500	4.2
79.91229	1.1
81.03404	1.4
81.07064	4.0
81.19862	1.0
83.08607	1.6
85.02918	4.2
85.78119	1.2
91.03966	2.4
91.05489	4.7
93.07054	4.6
95.04964	2.0
95.08623	2.0
97.02908	4.2
101.02401	1.3
107.08601	1.6
109.10184	4.0
119.08617	1.5
127.03969	1.2
135.11707	1.5
159.09779	1.1
159.31123	1.2
165.09029	1.1
173.11780	1.3
178.97501	1.2
184.07367	2.5
229.14354	1.6
241.93533	1.2
243.08493	2.2
267.09161	1.8
283.15414	3.6
301.09308	2.7
317.06372	2.5
349.16846	1.6
385.18240	1.6
401.15784	3.9
413.17709	5.7
439.19553	5.2
443.16614	6.1
469.20560	1.4
481.25784	2.8
501.23135	8.2
515.18707	1.7
517.20789	5.0
527.26819	1.3
529.22491	2.1
532.20038	1.4
533.19348	1.4
544.46973	1.3
545.20026	6.3
546.72882	1.4
589.22345	2.2
629.29486	2.7
637.31464	1.6
641.31537	12.7
642.61731	1.3
645.29321	1.6
655.28644	2.6
673.34631	28.1
674.33704	1.9
689.31897	2.8
699.35571	30.4
700.36102	2.4
715.33057	9.4
729.36530	1.8
736.52057	1.3
739.36749	14.6
757.33960	47.6
758.34705	3.3
825.40753	2.7
843.41449	100.0
844.41943	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	843.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04894	0.7
59.05138	0.6
61.02782	2.4
61.03119	1.1
65.76912	0.4
67.05351	3.8
67.05753	1.3
69.03270	1.5
69.03688	0.7
71.04854	1.1
73.02754	2.1
73.03195	0.8
79.05325	1.3
79.05738	0.6
81.03246	2.5
81.06881	1.7
83.04832	0.7
83.08466	1.1
85.02729	4.8
85.03277	1.0
85.06409	0.8
86.09576	0.8
86.11134	0.4
87.04330	0.5
90.67056	0.4
91.03772	1.7
91.05286	1.7
93.06854	1.4
95.04845	0.7
95.08413	1.3
97.02706	3.5
97.03414	0.9
97.06371	0.7
98.98276	0.5
99.04301	0.9
101.02228	1.0
105.06913	0.8
107.08438	1.0
109.02715	0.6
109.09952	5.3
111.07980	0.4
119.08372	1.8
121.09915	1.3
121.10729	0.5
124.99838	0.7
127.03716	1.4
129.06900	0.5
131.08389	0.9
133.09952	0.7
145.09869	0.4
147.11487	1.4
149.09369	1.2
155.10461	0.7
157.10081	0.7
173.11734	2.0
175.10966	0.7
183.06497	0.5
184.07333	3.0
185.03941	1.3
185.07501	0.6
193.12054	1.4
195.09818	0.7
201.01593	0.5
201.03532	0.5
229.14117	1.5
243.08423	2.7
251.12132	0.6
265.14151	0.4
267.15628	1.2
267.99036	0.5
283.15137	5.4
301.08887	2.6
323.18069	0.6
339.17642	1.1
369.19299	0.5
371.16354	0.5
381.18848	1.4
385.18066	1.3
399.19983	0.8
413.12582	0.8
413.17798	12.7
414.17892	0.6
427.19354	1.9
429.16644	0.4
441.21341	0.7
465.28119	1.0
469.20322	1.5
499.21405	0.6
501.23047	17.1
502.23343	0.7
511.28619	1.3
529.22583	4.6
545.22583	0.8
573.24994	2.8
613.32013	0.8
615.29913	0.6
629.31281	0.6
641.30298	0.5
643.32574	0.9
673.34027	100.0
674.34222	7.0
699.35815	1.3
701.37549	4.0
729.36963	3.5
745.36035	0.5
755.67084	0.6
843.43530	15.6
844.44037	1.6
872.76953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05024	0.9
61.02918	7.1
62.30645	0.9
66.73972	0.9
67.05505	8.9
69.03427	3.3
69.07063	2.5
70.06598	1.8
71.01374	1.1
71.04986	2.7
73.02543	1.0
73.02904	5.1
74.06768	1.0
76.23518	0.9
79.05484	8.0
81.03424	8.2
81.07057	6.4
83.04990	2.4
83.08616	3.5
85.02900	8.1
87.04517	0.9
91.03987	4.0
91.05486	7.2
93.07049	5.8
93.33981	1.1
95.04968	3.1
95.08610	3.0
96.08138	0.9
97.02897	5.3
97.06544	1.7
97.10197	2.1
99.04477	1.3
101.02387	1.8
105.07059	3.9
107.04970	2.1
107.08618	3.9
109.02855	1.3
109.06564	2.0
109.10180	3.6
111.08115	1.5
117.07014	2.4
119.08589	4.6
121.10139	2.4
123.04389	1.0
125.09645	1.1
127.03931	2.1
129.05516	1.2
129.07007	1.1
131.08586	1.5
133.10173	2.1
135.11734	2.8
145.10182	2.0
147.08011	1.2
147.11728	2.2
149.09634	2.6
157.10152	1.6
163.11230	1.7
173.11705	1.1
175.11313	1.6
185.04297	3.0
191.10849	1.3
193.12296	2.7
199.05867	1.0
201.03790	1.1
203.05247	1.5
204.91042	1.0
209.11877	1.3
225.14929	1.0
229.14326	1.9
243.08409	4.9
267.12170	3.1
267.15976	2.7
283.15375	3.7
291.19489	1.1
299.14774	2.4
301.09000	7.8
315.10715	2.1
339.17892	1.9
373.11359	2.3
385.18634	3.9
391.65390	1.1
397.18225	1.5
413.18106	3.4
415.19495	1.1
439.19598	1.2
441.17117	4.7
443.19119	2.8
469.20255	1.9
481.20587	3.0
483.63956	1.1
485.19949	10.5
501.22995	15.7
517.22827	2.4
527.20721	2.5
583.28809	1.2
589.25116	2.0
611.30597	1.5
641.31519	3.8
657.30127	1.8
673.35645	7.5
699.35358	1.7
701.33966	2.3
715.35425	2.8
739.37738	3.8
745.34625	1.6
757.35992	10.3
825.42523	3.5
843.43365	100.0
844.43542	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	843.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.4
62.51260	0.3
63.09684	0.3
67.05503	5.1
68.03514	0.4
69.03423	2.9
69.07068	1.8
71.05000	0.5
73.02913	3.1
79.05486	5.4
81.03416	1.6
81.07049	5.0
82.07411	0.4
83.04977	1.0
83.08617	1.0
85.02898	4.3
91.03947	1.9
91.05474	4.6
93.07036	4.2
95.04972	1.3
95.08598	3.3
97.02880	3.7
97.06528	0.4
97.10139	0.7
99.04475	0.5
101.02394	1.4
105.07021	4.0
106.07403	0.5
107.04939	0.9
107.08591	2.5
109.02169	0.3
109.02891	0.7
109.06525	0.9
109.10155	1.7
117.07024	0.9
119.08559	2.4
121.06462	0.3
121.10180	1.1
123.08025	0.6
127.03933	1.5
129.05547	0.4
129.07013	0.9
131.08583	1.2
133.10121	2.5
135.11708	1.1
143.08583	0.5
145.10100	0.8
147.11707	1.1
149.13318	0.6
151.11188	0.4
157.10193	0.4
159.11722	0.6
161.09703	0.5
161.13342	0.6
171.11684	0.6
175.11215	0.5
177.12875	0.4
184.07390	1.1
185.04279	1.1
185.13249	0.5
193.12250	0.9
201.03622	0.4
203.05537	0.4
243.08421	3.3
259.20654	0.6
261.11044	0.4
301.08914	1.6
313.17923	1.0
315.10580	1.0
317.20816	0.6
331.18808	2.7
335.22116	0.4
371.16919	0.6
373.11115	0.8
387.21432	0.5
395.78427	0.4
397.18109	0.3
411.58395	0.4
429.17282	0.7
429.22806	0.4
451.19348	0.7
465.20740	0.7
531.25464	1.8
535.28741	8.0
536.29474	0.6
549.26538	3.6
603.27393	0.4
607.31329	0.9
649.93634	0.4
745.41290	2.5
746.41895	0.6
774.41962	0.5
825.47461	9.2
826.47815	0.7
843.48486	100.0
844.48895	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	843.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.7
66.96730	0.4
67.05500	5.7
69.03423	2.4
69.07061	3.5
69.09683	2.9
71.01347	0.5
71.05025	0.7
73.02902	3.4
79.05486	4.4
81.03405	2.3
81.07051	5.9
83.04965	0.8
83.08641	0.7
85.02895	4.4
86.09710	1.0
87.28471	0.4
91.03939	2.0
91.05476	4.3
91.05890	0.4
93.07035	4.8
93.41689	0.4
95.04980	1.8
95.08598	3.8
97.02878	3.1
97.06537	0.6
97.10191	0.5
98.23434	1.1
99.04458	0.5
99.08079	0.4
101.02393	1.4
103.03941	0.5
105.07012	4.1
107.04977	0.9
107.08585	2.3
109.02907	0.7
109.06509	0.6
109.10178	1.1
117.07055	1.4
119.08572	3.2
121.06448	0.4
121.10167	1.0
123.08121	0.5
124.99921	0.5
127.03937	0.9
129.06985	0.6
131.08621	1.7
133.06526	0.4
133.10098	2.7
135.11729	1.5
145.10184	1.3
147.11681	0.8
149.09613	0.8
149.13155	0.6
157.10132	0.6
163.11263	0.6
173.13336	0.5
179.14383	0.4
184.07353	2.7
243.08372	3.6
275.20291	0.6
277.60031	0.4
301.08786	0.4
315.19174	2.6
333.20410	1.3
371.22006	0.8
401.33664	0.5
405.86002	0.5
439.19342	1.0
453.20789	1.0
498.66943	0.5
533.27283	6.9
535.29254	1.0
551.28369	6.2
630.28015	0.5
646.43365	0.5
745.41327	1.2
843.48505	100.0
844.48895	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	843.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18516	0.4
60.08144	0.6
61.02930	4.2
65.03957	0.5
67.05503	10.5
68.05834	1.0
69.03419	3.5
69.07059	4.1
69.50758	1.8
71.04987	0.6
73.02913	2.5
73.43780	0.4
79.05489	9.0
80.05838	0.8
81.03417	1.8
81.07057	9.8
82.07385	1.0
83.04989	1.3
83.08621	2.4
85.02895	4.2
85.06521	0.6
86.09713	1.4
91.03960	1.7
91.05470	5.6
92.05826	0.5
93.07038	6.7
94.07376	0.8
95.04979	1.6
95.08592	6.1
96.08940	0.8
97.02897	3.4
97.06541	1.0
97.10154	1.9
98.98463	0.4
99.04485	0.8
101.02380	1.6
105.04508	0.6
105.07034	5.0
106.07380	0.5
107.04979	1.1
107.08582	3.9
109.02843	0.5
109.06535	0.7
109.10165	3.6
110.10514	0.6
117.07031	1.9
119.08576	3.5
120.08988	0.5
121.06448	0.5
121.10126	3.9
123.11703	0.7
125.00021	1.1
125.09692	2.0
127.03955	0.8
127.59727	0.4
131.08490	2.0
132.79366	0.4
133.10091	2.2
135.08026	0.6
135.11700	1.6
137.09592	0.4
143.08603	0.6
145.10130	1.7
147.11676	2.0
149.13257	1.0
157.10170	0.7
159.11719	1.5
161.10844	0.4
161.13278	0.9
171.11688	0.5
173.11794	0.6
173.13280	0.9
177.12689	0.4
184.07321	4.9
185.04366	0.6
185.13277	0.5
189.11311	0.7
227.12877	1.5
228.13257	0.6
228.68024	0.5
229.14351	2.1
243.08391	4.1
245.13857	1.6
246.14317	0.8
261.22217	0.7
270.17874	0.5
275.20117	1.3
276.20450	0.5
291.19415	0.5
301.09131	0.8
313.27463	0.5
314.27850	1.1
315.10675	0.7
315.19427	1.1
331.18839	1.8
333.20572	0.6
335.25815	4.5
336.26077	2.9
349.23938	0.9
371.22107	0.7
373.23599	0.5
397.18250	0.4
483.36749	0.6
484.37372	0.8
489.35620	0.7
490.36163	1.1
510.25363	0.5
529.39014	1.4
530.39209	2.1
533.27106	2.6
535.28595	4.6
549.26892	2.7
551.28406	1.8
610.45575	1.8
621.28638	0.8
628.47003	0.9
807.04590	0.5
822.41260	0.5
843.48523	100.0
844.48792	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	843.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.0
67.05497	4.8
69.03423	2.7
69.07070	1.3
71.04962	0.4
71.41748	0.5
73.02563	0.5
73.02913	3.1
79.05482	5.7
81.03419	1.4
81.07047	3.5
81.18882	0.4
85.02898	3.7
85.06536	0.9
85.30334	0.4
86.09705	3.4
91.03957	1.7
91.05472	4.7
93.07048	5.4
95.04958	4.2
95.05450	0.4
95.08622	1.7
97.02875	3.6
99.04475	0.9
101.02380	1.3
105.07027	3.4
107.04941	0.6
107.08620	1.5
109.02896	0.6
109.06514	2.1
109.10145	0.8
113.06006	3.0
117.07027	1.2
119.08581	2.5
121.10155	1.2
123.08131	0.4
124.99965	2.2
127.03974	0.8
129.05528	0.6
129.07063	0.6
131.08597	1.8
133.10118	2.1
135.08061	0.9
135.11714	1.4
140.69214	0.4
143.08568	0.7
145.10143	1.4
147.11716	1.3
149.67015	0.5
157.10207	0.5
158.71404	0.4
159.11784	0.8
167.27435	0.4
184.07330	8.4
184.08853	0.6
185.04324	0.7
185.07715	0.9
196.47066	0.4
203.05318	0.8
243.08360	4.1
259.20667	0.5
270.27515	0.4
273.18674	0.5
285.95264	0.4
301.08972	1.1
315.10611	0.7
331.18738	5.3
387.21753	0.7
414.03391	0.5
465.21063	1.1
495.22388	0.6
535.28717	6.7
549.26740	7.3
553.41309	0.4
601.25519	0.6
621.29071	0.8
691.36530	0.4
705.37653	0.7
843.48505	100.0
844.48877	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	843.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.2
67.05501	6.7
69.03429	3.4
69.07053	3.7
69.23436	3.3
73.02907	3.1
74.03632	0.5
79.05492	4.3
81.03427	2.3
81.07050	7.1
82.07414	0.6
83.05001	0.9
83.08619	1.0
85.02888	4.2
86.09709	1.7
91.03962	2.2
91.05478	4.6
93.07032	4.7
95.01331	0.7
95.04972	2.6
95.08600	3.9
97.02889	4.5
97.06525	1.3
101.02390	2.1
103.03924	0.6
105.07030	4.1
107.04974	1.3
107.08585	3.0
109.10166	1.7
109.10903	0.5
112.72613	0.5
115.03992	0.6
117.07009	0.7
119.08605	2.5
121.06470	0.5
121.10109	1.4
125.00011	1.2
127.03926	1.2
131.08577	1.7
133.10133	2.8
135.11719	0.9
143.08623	0.6
145.10126	1.0
147.11699	1.0
149.09613	1.3
149.13310	0.9
157.10185	1.0
159.11823	0.8
163.11334	0.8
184.07309	3.7
243.08424	4.4
275.20151	0.8
315.19385	3.8
331.18854	0.9
333.20355	1.2
371.22165	1.6
439.19394	1.2
453.20874	1.7
533.27167	9.4
533.34436	1.0
535.28589	1.2
551.28156	7.6
700.23944	0.6
745.41461	0.8
843.48547	100.0
844.48724	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	843.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02859	5.5
67.05504	7.2
69.03362	4.5
69.07001	4.5
71.04952	1.1
73.02908	4.9
79.05488	9.6
79.05910	0.7
81.03424	3.6
81.07052	8.0
83.04925	1.3
83.08555	1.5
85.02901	7.1
86.09665	0.9
87.04359	0.6
91.03951	4.2
91.05481	7.6
93.07044	8.9
95.01257	1.0
95.04951	3.7
95.08612	5.7
97.02901	5.3
97.06443	1.4
98.22616	1.4
99.08070	0.8
101.02306	2.6
103.03817	0.8
105.07023	6.8
107.04879	2.9
107.08592	4.4
109.02816	1.4
109.06463	0.9
109.10035	2.1
111.08025	1.0
117.06924	1.9
119.08608	4.4
121.10039	1.7
123.04343	0.9
123.08042	1.1
125.09563	0.9
127.03835	2.2
129.06921	2.2
131.08488	1.9
133.10136	3.7
135.11615	1.3
145.10037	1.7
147.11700	3.5
149.09566	1.2
159.11658	1.3
161.13141	1.8
163.11099	1.2
166.68843	0.7
171.11609	2.2
179.14278	1.5
184.07266	2.3
185.04178	1.1
203.05278	1.2
243.08357	6.4
247.13051	2.0
275.19925	1.4
301.08887	1.3
303.15439	0.8
315.10425	1.1
315.19315	9.6
355.22556	1.2
371.17389	0.7
371.21945	2.3
453.20889	1.7
465.20923	20.6
519.29468	2.1
533.27234	24.5
534.27405	1.2
551.27899	3.0
595.36206	1.9
605.29419	0.9
623.35303	1.0
664.38489	0.9
727.40350	2.1
745.41321	6.3
746.42261	5.3
757.41260	100.0
758.41693	8.0
797.44458	1.2
798.04816	0.8
825.47754	9.2
826.47900	1.3
843.47345	61.0
844.47729	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	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.4
67.05502	6.3
69.03427	1.6
69.07078	1.8
70.50976	3.4
70.74677	1.2
73.02925	2.1
79.05489	4.3
81.07059	3.8
85.02902	3.7
91.03990	1.9
91.05495	4.4
93.07056	3.7
95.05014	1.7
95.08604	2.4
97.02864	3.0
98.22891	2.6
101.73081	1.3
105.07007	2.3
107.08604	1.7
113.64977	1.6
117.06995	1.8
119.08588	3.0
145.10165	1.8
184.07401	1.9
211.00493	1.8
221.03706	1.4
243.08336	2.8
271.73523	1.5
333.20203	3.0
506.85080	1.7
535.28967	6.2
551.28406	3.7
563.16705	1.8
845.50061	100.0
846.50342	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	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	0.4
61.02925	3.4
67.05502	3.2
69.03421	2.2
69.07064	2.2
71.01348	0.5
71.04990	0.6
73.02895	2.6
73.16872	0.3
77.94688	0.4
79.05492	4.3
81.03421	1.3
81.07054	2.8
83.04996	0.5
83.08621	0.9
85.02897	2.6
86.09709	1.8
91.03952	2.1
91.05471	2.8
92.11905	0.3
93.07033	4.1
93.07510	0.3
95.04950	0.6
95.08601	2.3
97.02886	2.3
97.10171	2.7
98.23418	1.1
99.04466	0.6
101.02394	1.6
102.13287	0.3
105.07016	2.5
107.08579	2.4
109.02878	0.8
109.10140	0.9
117.07034	0.7
119.08607	1.5
121.10186	1.4
125.00023	1.3
125.09586	2.2
127.03934	1.0
129.05539	0.4
131.08601	1.0
133.10159	1.5
135.11755	0.6
145.10159	0.8
147.11693	1.0
159.11722	0.4
161.13309	0.6
171.11664	0.5
178.32138	0.3
184.07329	6.3
184.08835	0.4
185.04303	1.0
185.07645	0.7
189.11290	1.0
201.03807	0.4
203.05353	0.4
243.08360	3.2
259.20953	0.4
301.08850	2.0
313.08856	0.4
315.10440	0.9
317.20959	0.5
333.20331	7.2
334.20773	0.5
355.13953	0.5
373.11224	0.8
373.23499	1.0
383.16788	0.4
385.18253	1.1
389.23044	0.7
431.24222	0.5
465.21185	1.2
481.20993	0.7
494.19003	0.4
503.52100	0.4
525.22986	0.7
535.28729	7.4
551.28302	5.8
552.28619	0.8
607.30768	0.8
623.30206	1.0
683.45056	0.4
707.39093	0.5
845.50092	100.0
846.50256	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	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	1.0
61.02919	4.3
67.05505	4.2
69.03419	2.7
69.07062	2.1
71.07359	1.0
72.24873	0.4
73.02911	3.6
74.88924	0.4
79.05491	5.5
81.03427	1.8
81.07052	5.1
83.05016	0.7
83.08636	0.7
85.02895	3.4
86.09695	7.1
87.10069	0.9
91.03951	2.2
91.05481	4.1
93.07034	6.0
95.04993	1.5
95.08598	2.6
97.02895	3.8
97.10200	0.6
98.22621	0.9
98.98486	0.9
99.04469	0.8
101.02412	1.5
102.57980	0.4
104.10751	0.6
105.04545	0.5
105.07040	4.1
107.08596	3.2
109.02893	0.8
109.06458	0.5
109.10161	1.0
115.03902	0.4
115.05450	0.6
117.07007	0.9
119.08543	2.3
121.10133	2.2
124.58287	0.4
124.99994	5.4
125.09695	0.6
127.03948	1.3
129.07021	0.4
131.08574	1.3
133.10136	2.4
135.11700	1.0
139.47726	0.4
140.58311	0.5
143.08539	0.8
145.05075	0.5
145.10109	1.0
147.11751	1.5
149.13239	0.5
157.10268	0.7
159.11778	0.5
161.13313	0.6
173.13257	0.6
184.07330	21.0
185.04210	0.7
185.07634	2.5
241.06868	0.7
243.08385	2.9
301.09045	1.6
313.09067	0.5
315.10632	1.3
333.20325	2.1
350.54623	0.5
373.23587	0.5
407.30191	0.4
439.19879	0.7
465.21091	1.3
481.20966	0.7
535.28766	6.6
551.28302	5.3
623.30432	1.4
750.79089	0.5
845.50073	100.0
846.50256	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	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.4
67.05500	5.6
69.03420	2.7
69.07074	1.6
69.08839	2.7
71.05004	0.6
73.02912	3.3
79.05482	4.5
81.03432	1.7
81.07047	4.8
83.04978	0.7
83.08630	0.9
85.02898	4.8
85.06560	0.5
87.88103	0.4
91.03967	2.9
91.05482	4.1
93.07033	5.5
95.04965	1.3
95.08595	2.3
97.02883	4.8
98.23426	1.0
99.04480	0.7
101.02414	1.9
105.04505	0.6
105.07032	4.0
107.08561	2.7
109.02908	0.5
109.10167	0.5
117.07025	1.1
119.08570	2.2
121.10144	1.3
123.11679	0.5
125.09589	0.6
127.03932	1.2
131.08591	0.9
133.10175	1.6
135.11711	1.6
145.10159	1.3
147.11734	1.1
149.13275	1.1
159.11649	0.5
161.13322	0.6
173.13161	0.5
179.87682	0.5
183.56241	0.5
184.07361	0.6
185.04295	1.0
212.40512	0.6
222.19824	0.5
243.08476	3.6
253.58139	0.6
301.09052	1.6
315.10709	0.7
333.20499	2.2
373.10922	0.7
374.98798	0.6
389.23151	0.6
397.18820	0.7
429.17880	0.6
439.19485	1.0
453.10483	0.5
453.20978	1.5
465.20969	0.8
469.20746	0.5
481.20517	0.7
535.28802	5.6
541.22601	0.5
546.86566	0.5
551.19769	0.9
551.28064	7.9
561.82520	0.7
623.30743	1.4
626.57739	0.5
686.66656	0.5
747.42969	1.1
845.50098	100.0
846.50366	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	845.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93122	0.8
61.02921	9.6
67.05506	9.8
69.03413	4.6
69.07076	3.5
69.66337	3.3
73.02921	7.6
75.32262	0.8
79.05488	13.2
79.05936	0.9
81.03423	3.2
81.07051	9.3
81.07448	1.0
83.04981	1.5
83.08618	1.9
85.02901	9.1
86.09716	0.9
91.03956	6.2
91.05471	10.5
93.07034	12.3
95.04998	3.1
95.08609	5.5
97.02888	7.5
97.06516	1.2
97.10198	1.0
99.04465	1.5
101.02408	3.8
105.07027	8.4
107.08578	4.6
109.02895	1.6
109.06544	1.2
109.10175	2.4
111.08055	0.9
117.07039	2.7
119.08560	5.6
121.10168	3.2
124.57272	0.8
124.99982	1.1
127.03951	3.2
129.05482	1.3
129.06982	1.7
131.08620	2.4
133.10088	4.8
135.11729	2.3
143.08568	2.9
145.10165	2.3
147.11670	6.1
149.13248	1.0
159.11795	1.3
161.13237	1.9
170.19699	1.1
171.11755	3.2
175.14835	1.0
184.07423	2.2
185.04204	3.9
189.12782	1.2
201.03757	1.2
203.05386	1.4
207.13832	1.3
228.41829	0.9
241.06894	1.3
243.08408	7.2
247.13002	4.4
273.14828	1.2
281.17590	1.1
288.30475	0.8
301.09137	3.2
303.15710	0.9
313.09177	1.3
315.10693	2.5
317.20825	2.2
333.20374	1.0
343.22324	1.1
371.17075	1.3
373.11316	2.0
373.23566	0.9
422.96350	0.9
437.21286	0.9
452.65729	0.9
453.20917	1.2
461.29004	0.9
465.20926	28.0
495.22052	1.6
533.27441	2.6
535.28754	24.3
537.23370	2.8
551.28461	2.4
579.29022	1.1
593.29041	1.2
597.37341	1.6
607.30841	1.6
621.31604	1.1
647.88080	0.9
689.35144	3.1
707.36047	2.0
729.42084	2.7
741.42206	1.0
747.42419	4.6
759.42804	100.0
760.43530	8.0
827.49310	9.7
845.49097	53.0
846.49194	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	846.447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91060	0.4
61.02917	2.4
65.03931	1.8
67.05497	24.7
69.03426	0.6
69.07064	5.5
71.04978	1.3
73.02882	0.7
73.06563	1.2
77.03926	1.6
79.05484	40.0
79.78572	0.4
81.03402	4.0
81.07048	21.3
82.07393	0.5
83.04971	7.2
83.08611	2.8
85.02911	2.2
85.06533	2.0
91.03943	1.3
91.05470	29.9
93.07036	37.7
94.07396	0.5
95.04958	14.4
95.08596	13.3
97.02892	1.3
97.06495	2.5
97.10165	1.8
98.22713	1.6
105.04508	3.3
105.07021	21.6
107.04956	3.8
107.08581	10.5
109.06507	3.3
109.10130	2.6
115.05490	0.9
117.06991	4.6
119.08560	12.6
119.09413	0.7
121.06519	1.5
121.10155	2.4
123.08041	3.0
127.03926	0.5
127.07503	0.7
128.06247	1.3
129.06982	10.1
131.08574	1.5
133.06439	0.5
133.10112	5.8
135.08037	0.7
135.11693	0.8
141.06961	0.5
143.08537	5.2
145.10120	5.0
147.08066	1.4
147.11671	20.6
148.12029	0.7
156.09363	0.4
159.11684	0.7
161.09541	2.5
161.13242	6.8
161.14519	0.6
163.11223	0.9
165.03891	0.5
171.11661	14.5
173.04439	0.6
179.14336	0.7
189.12729	6.8
207.13789	16.9
225.14883	2.0
263.16418	1.2
281.17435	39.8
282.17929	1.3
344.16150	0.4
368.21320	0.4
425.22034	0.5
469.29379	2.2
487.30508	100.0
488.30829	6.6
567.33771	0.7
676.30884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.1
67.05497	4.9
69.03426	3.6
69.07075	2.4
70.66555	0.5
71.04983	0.6
73.02918	2.9
77.63666	0.5
79.05480	4.1
81.03425	1.8
81.07055	5.6
85.02895	3.7
91.03957	3.1
91.04433	0.5
91.05465	3.2
93.07027	3.3
95.04990	0.9
95.08598	3.7
97.02880	4.7
97.10189	0.7
98.78130	0.5
99.04472	0.6
101.02387	1.2
101.16896	0.5
105.07017	1.2
107.08605	1.9
109.02909	0.9
109.10181	1.5
117.07024	0.7
119.08559	1.0
120.52839	0.5
121.10155	1.2
125.09611	0.5
127.03931	1.3
133.10138	0.6
135.11700	1.1
145.10173	0.9
147.11777	0.8
157.31410	0.6
185.04227	0.9
243.08533	2.2
351.21481	2.0
505.16196	0.6
519.29108	4.9
551.28754	1.0
569.29291	3.4
831.76581	0.7
847.51599	100.0
848.52057	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	848.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	2.4
61.02915	13.3
65.03925	2.3
67.05495	100.0
69.03399	2.2
69.07062	8.8
73.02902	5.4
75.95380	1.9
79.05479	21.0
81.07045	39.2
83.05000	1.9
83.08183	1.7
83.08582	9.5
85.02894	10.8
85.06519	2.7
87.27863	1.6
91.03945	7.5
91.05471	15.2
93.07034	28.3
95.04962	4.8
95.08595	29.7
97.02893	6.4
97.06521	1.9
97.10159	2.9
98.22652	2.8
105.06989	8.7
107.08577	13.3
109.10140	70.7
111.08042	3.9
117.07012	4.3
119.08566	11.7
121.10107	10.7
123.11706	5.4
127.03905	3.5
131.08566	8.3
133.10080	5.6
135.11708	5.8
145.04906	4.3
145.10118	3.3
147.11653	3.8
149.13258	5.1
155.10658	4.3
157.10272	2.0
159.11682	3.7
161.13165	2.9
163.05968	4.8
163.14912	2.3
170.62437	1.7
173.11761	19.8
173.13153	3.5
184.07347	2.5
227.12749	6.4
229.14307	91.1
243.21089	6.7
261.22101	19.4
266.53351	2.0
267.73553	1.7
297.49103	1.7
317.24637	3.6
321.09988	2.0
335.25757	73.3
336.25931	2.8
489.35693	77.9
490.35803	6.3
492.29886	2.2
507.36813	8.6
547.99207	2.3
817.10309	2.3
848.47766	3.1
866.89545	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	4.2
61.02924	16.2
67.05502	84.4
67.05862	5.8
69.03403	3.1
69.07058	6.4
73.02903	3.1
76.18485	3.5
79.05486	16.7
81.07050	32.3
83.08597	5.2
85.02890	11.8
91.03957	9.0
91.05462	13.6
93.07025	21.5
95.08588	21.1
97.02884	5.1
107.08566	12.6
109.10152	72.9
111.00064	3.1
111.08050	4.0
119.03986	3.0
119.08551	9.8
121.10143	11.7
123.11711	3.4
127.03899	3.3
131.08559	4.0
133.10118	6.0
135.11662	7.9
145.04921	3.0
145.10022	3.2
147.11668	3.7
149.13261	3.4
155.10655	7.5
161.13248	4.1
163.14799	3.1
173.11731	18.9
173.13141	5.4
184.07263	6.0
227.12852	7.3
229.14330	100.0
243.21028	4.6
261.22150	12.9
317.24713	3.0
335.25806	71.9
336.26065	3.4
343.17581	2.8
394.55325	3.0
489.35754	46.2
848.48566	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	849.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07219	2.2
70.62240	4.6
97.47831	2.1
111.25177	2.1
128.73625	2.2
137.05989	3.0
175.03693	3.7
245.20361	2.5
849.27216	100.0
850.27649	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	849.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73930	2.3
67.77094	2.3
69.06986	4.5
69.07391	16.3
127.01492	2.4
130.30565	2.6
137.05931	3.9
175.03690	4.4
202.85323	2.6
229.66748	2.4
290.66299	2.3
357.78879	3.1
386.74448	2.8
522.85040	2.8
809.24731	3.1
831.28241	5.5
849.27081	100.0
850.26630	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	850.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	2.5
59.76153	0.4
61.02922	5.9
66.71385	0.4
67.05163	0.6
67.05499	8.5
69.03420	1.6
69.07053	2.3
71.01364	0.9
71.04992	3.2
73.02900	1.3
79.05481	12.8
81.02959	0.7
81.03412	9.1
81.07049	11.7
83.01331	6.0
83.04974	7.4
83.08604	6.5
85.02892	10.0
85.06536	0.9
91.03944	4.8
91.05470	8.8
93.06446	0.9
93.07036	17.3
95.04955	6.0
95.08595	4.5
97.02876	4.7
97.06512	2.7
97.10146	1.0
99.04451	2.5
103.05463	0.7
105.07015	6.1
107.04939	5.0
107.08585	9.1
109.06513	4.7
109.10160	1.3
111.04429	2.1
111.08050	0.9
117.07018	6.4
119.08563	6.4
121.06489	3.5
121.10143	6.0
123.08060	5.9
125.05984	1.4
125.09652	0.8
127.03933	2.0
129.06993	0.8
130.07817	1.0
131.04961	0.5
131.08574	2.3
133.10133	1.7
135.08057	1.5
135.11687	9.1
137.09549	0.7
139.07533	0.8
143.08517	0.8
145.04942	1.9
145.06454	0.8
145.10109	12.5
147.08063	1.8
149.02336	0.7
149.09630	0.5
149.56053	0.5
151.11163	0.6
153.12741	1.9
154.04178	0.4
155.08528	1.4
163.05946	1.6
163.11166	20.4
173.09550	2.6
181.12199	2.2
191.10646	1.9
209.11707	5.7
227.12752	2.5
265.14169	1.1
283.15366	100.0
284.15677	2.7
479.89227	0.4
491.26346	55.8
492.26797	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	850.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	3.2
65.03915	1.3
67.05499	31.4
67.61843	0.9
69.03421	1.9
69.07058	6.9
71.04983	2.5
72.62061	0.9
73.02908	2.0
73.78487	0.9
77.03925	1.1
79.05482	40.2
81.03409	42.4
81.07050	29.9
83.04970	13.0
83.08609	14.5
85.02888	15.5
85.06556	2.3
91.03960	2.4
91.05470	38.5
93.06443	1.9
93.07036	36.0
93.74035	0.8
95.04960	23.0
95.08601	16.2
97.02891	3.9
97.06507	2.5
97.10164	3.1
99.08103	1.0
105.04538	2.3
105.07015	28.1
107.04959	6.9
107.08572	9.6
109.06521	6.0
109.10147	2.9
111.04454	2.1
111.08073	5.1
113.05991	1.4
115.05398	1.5
117.06992	5.4
119.08574	20.4
121.06516	2.0
121.10114	5.7
123.08036	4.0
125.09618	1.1
127.04035	1.1
128.82614	0.8
129.06990	13.5
131.08559	7.6
133.06496	2.4
133.10091	8.6
135.11722	1.5
135.13669	0.9
137.09596	1.0
142.07742	1.3
143.08551	3.2
144.23456	1.0
145.10091	5.2
147.08047	3.0
147.11664	27.0
149.09608	3.5
157.10089	7.4
161.09624	1.4
161.13287	4.0
163.11069	1.3
165.12758	1.4
171.11688	11.9
175.11182	7.8
189.12711	4.1
193.12228	22.3
207.13786	14.4
211.13269	21.8
212.13680	1.0
225.14775	1.1
267.15891	29.7
281.17441	43.4
282.17917	1.7
285.16992	24.7
455.28162	0.9
473.28937	100.0
474.29181	6.6
491.30029	64.6
492.30206	3.4
635.34021	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	0.9
61.02925	4.4
65.03926	3.2
67.05496	40.9
69.03413	3.8
69.07061	10.8
71.01350	0.9
71.01836	0.8
71.04977	3.9
73.02904	2.5
73.06571	1.3
77.03916	2.5
79.05482	67.9
81.03410	46.9
81.03897	2.1
81.06560	1.3
81.07048	38.1
83.04970	18.5
83.08611	17.9
85.02898	17.4
85.06535	3.1
91.03934	3.6
91.05470	54.9
93.07036	54.3
95.04346	1.7
95.04955	32.4
95.08592	21.5
97.02888	5.7
97.06538	5.2
97.10138	2.8
98.23494	2.3
99.08078	1.2
103.05463	1.2
105.04496	3.2
105.07018	40.3
107.04940	8.3
107.08577	14.6
109.06514	8.1
109.10160	2.4
111.04391	1.5
111.08041	4.6
113.06033	1.5
115.05441	1.6
117.07026	7.3
119.08566	30.4
121.06482	2.7
121.10110	6.5
123.08058	6.2
125.09625	1.3
128.06184	1.5
129.06995	16.7
131.08568	8.1
133.06509	2.1
133.10097	14.8
135.11655	1.8
137.09599	1.8
142.07768	1.7
143.08548	7.2
145.04929	1.8
145.10104	8.4
147.08022	3.9
147.11661	34.1
148.12059	1.0
149.09619	3.5
155.06129	1.0
157.10138	8.5
159.11667	1.0
161.09599	3.1
161.13211	9.1
163.06062	1.3
163.11115	1.5
163.70102	0.9
165.12726	1.4
171.11678	19.6
175.11171	10.7
179.14265	1.1
185.68854	0.9
189.12711	6.8
193.12225	22.2
207.13779	24.8
211.13255	23.9
225.14813	1.7
267.15881	31.3
268.16061	1.3
281.17441	100.0
282.17731	2.6
283.15353	1.2
285.16931	28.2
473.28943	99.9
474.29254	6.2
491.29993	96.7
491.35663	1.0
492.30341	5.8
566.37903	1.0
635.33820	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	851.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.8
67.05496	3.9
69.03435	2.6
69.07072	0.9
71.04983	0.9
73.02914	3.2
76.33005	0.5
79.05486	5.9
79.05887	0.6
81.03435	2.6
81.07048	3.9
83.04973	1.1
84.40598	0.5
85.02901	5.1
91.03955	3.6
91.05483	4.0
93.07028	4.4
95.04964	2.5
95.08609	2.0
97.02888	5.4
97.10223	0.5
99.04469	0.6
101.02375	1.4
105.04496	0.7
105.07018	3.2
107.04892	0.6
107.08623	1.5
109.02900	0.6
109.10177	0.9
117.07046	0.8
119.08578	2.4
121.10159	0.5
123.08102	0.8
127.03938	1.7
129.06993	1.4
131.08594	0.9
133.10132	1.3
143.08604	0.8
145.10196	1.2
147.11685	2.8
171.06667	0.5
171.11774	1.7
189.12729	0.7
207.13744	0.8
243.08337	2.4
247.13203	2.1
279.18134	0.5
281.17566	0.7
291.84518	0.5
303.15753	1.4
333.10696	0.5
347.09576	1.9
364.92609	0.5
365.10541	1.0
405.13614	5.4
443.69946	0.6
465.20883	16.9
499.08969	0.6
627.26105	11.4
689.35193	1.5
851.40210	100.0
852.40515	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	852.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.4
67.05467	0.5
68.99786	0.6
69.03415	2.7
70.67181	0.5
70.67495	0.6
73.02906	0.7
73.61033	0.4
79.05473	0.6
81.03400	3.5
83.58735	0.4
85.02892	5.1
87.00820	2.9
91.05465	3.0
93.06997	0.5
95.04954	1.5
97.02866	1.8
98.23438	0.5
99.04401	0.9
103.05464	1.6
105.01824	1.2
105.03347	0.5
105.07001	1.8
105.61783	0.4
107.04935	1.6
109.02868	2.6
110.03632	1.0
110.18814	0.5
111.04406	1.8
115.05411	0.9
117.07014	0.7
119.04915	1.9
121.06480	1.5
122.03588	0.5
123.04426	1.1
123.08050	0.5
125.05958	1.4
127.03886	2.7
129.06970	0.8
131.04916	1.1
133.02840	2.2
133.06487	2.2
137.05974	4.8
138.06367	0.6
145.06487	0.9
147.04408	1.5
149.05975	1.0
151.03880	0.6
151.07515	5.3
153.05452	2.5
159.02895	1.0
159.08018	1.1
161.05928	2.3
161.09619	0.7
163.07515	3.4
165.05475	0.9
167.07025	12.1
167.08467	0.6
169.06509	0.6
175.07509	3.4
176.04643	0.5
177.09097	7.8
178.07794	0.6
179.07008	1.7
181.04929	3.5
181.06384	0.8
181.08600	1.0
184.23891	0.5
187.07538	0.9
189.09053	1.5
191.06975	2.4
191.08505	0.7
193.08597	9.2
194.07268	1.0
195.07947	0.8
197.05986	0.5
205.04616	0.8
205.08571	0.7
206.07289	0.7
207.08069	1.4
207.09978	0.5
209.06065	0.8
210.06827	0.7
211.07549	0.9
212.08209	0.7
218.07236	0.7
219.08060	1.0
219.10115	1.1
220.05243	0.5
221.05843	0.9
221.09587	1.1
222.06819	0.8
223.07512	1.8
224.08270	1.6
225.09102	1.1
229.08626	0.6
232.08928	0.8
233.09708	0.6
234.06671	1.3
234.10489	0.5
235.07568	1.5
236.08307	1.5
237.05435	0.9
237.09048	2.2
238.09879	0.7
239.06908	0.8
239.10635	0.8
240.07768	1.3
241.08795	0.5
247.07425	0.6
248.08362	0.7
249.05316	0.5
249.09064	5.2
250.06166	1.1
250.09901	1.4
251.07072	1.5
251.10367	0.5
252.07808	5.7
253.08592	2.8
253.12129	0.7
254.09381	1.3
256.10901	0.6
261.09009	0.9
263.07108	1.2
264.07831	2.5
265.04944	0.5
265.05447	0.7
265.08545	9.3
266.09317	5.2
267.10022	2.1
269.08127	1.0
269.11691	1.7
277.08606	2.0
278.09369	1.5
279.06635	0.6
279.10068	0.8
280.07236	4.3
280.10513	0.7
281.08008	2.3
281.11462	1.0
283.09613	1.7
283.12778	0.5
284.10367	1.0
285.11102	1.4
291.09985	0.6
293.08224	1.4
293.11725	5.5
295.09558	3.1
296.10388	4.2
297.07849	0.7
297.11179	1.9
298.08389	0.9
299.12805	1.5
300.09811	2.2
309.11215	2.0
310.11893	1.4
311.09381	0.8
311.12729	6.4
312.09720	1.0
313.10651	7.9
313.14337	4.8
314.11133	0.7
321.11273	4.4
324.09778	1.0
325.10858	0.6
325.14233	2.9
326.11462	1.5
327.12198	5.0
328.12875	0.9
331.15311	1.4
339.12228	44.9
340.12854	5.6
341.13892	4.1
343.15280	6.1
353.13852	1.0
355.15369	1.4
356.12656	0.8
359.14859	16.4
360.15067	0.7
361.16309	1.1
365.13721	0.8
371.14847	100.0
372.15170	4.9
373.16385	1.3
377.04932	0.5
383.14972	0.7
389.15891	0.6
401.15897	3.1
431.14774	0.7
449.15921	1.5
467.16714	1.6
505.22534	1.0
553.16760	1.3
607.19739	1.6
818.09491	0.5
852.30231	0.8
853.32404	0.8
854.42517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	0.4
65.03932	1.1
69.03434	3.3
69.09107	2.3
69.09516	1.1
70.58731	0.4
73.02906	0.6
79.05476	1.2
81.03407	3.8
82.04165	0.5
85.02892	5.0
87.00814	2.2
88.80401	0.5
91.05460	2.6
95.04957	2.0
97.02900	2.2
99.04453	1.0
103.05453	0.8
105.01839	0.9
105.07030	1.9
107.04944	1.6
109.02896	2.6
110.03620	0.8
111.04467	1.3
115.05442	0.7
117.01785	0.6
117.06976	0.9
119.04915	1.7
121.02842	0.5
121.06493	1.3
123.04427	0.7
125.05991	1.3
127.03919	2.3
129.07016	0.9
131.04909	1.5
133.02817	2.0
133.06476	1.9
135.08058	1.1
137.05962	5.5
138.06351	0.6
145.04971	1.0
145.06483	0.8
147.04387	1.7
149.05981	1.1
151.03943	0.6
151.07527	4.2
153.05452	2.5
159.02907	0.9
159.08023	0.7
161.06023	2.4
161.09581	0.9
163.07506	3.6
165.05424	0.7
165.06891	0.5
167.07027	12.1
169.06543	0.5
175.07564	3.1
176.04765	0.6
177.09076	7.6
179.07036	1.4
181.04950	4.4
181.08543	0.7
187.07494	0.7
189.03911	0.6
189.09114	1.5
191.06985	2.4
193.08580	8.8
194.07114	0.9
195.07964	1.0
195.10091	0.6
203.06903	0.6
205.04710	0.8
207.07993	1.5
207.10097	0.7
209.05890	0.6
210.06833	0.7
212.08318	0.6
217.08664	0.6
219.08047	0.9
219.10231	1.3
220.08842	1.1
221.06023	1.0
221.09615	1.4
222.06714	0.8
222.10318	0.5
223.07570	1.3
224.08333	2.0
225.09045	1.2
225.28651	0.5
229.08501	0.7
232.08759	0.7
234.06752	1.4
235.07533	2.0
236.08275	1.6
237.09058	2.3
238.09923	1.3
239.06944	1.1
239.10608	0.9
240.07768	1.0
241.08453	0.8
247.07672	0.5
248.08287	0.7
249.05423	0.6
249.09087	5.8
250.06314	0.9
250.09888	1.6
251.07040	1.8
251.10661	0.5
252.07819	5.1
253.08557	2.7
253.12196	0.6
255.10045	0.5
257.08051	0.5
261.09183	0.6
263.07169	0.9
264.07840	2.1
265.08594	8.3
265.11774	0.9
266.09393	4.7
267.10040	2.2
269.08017	0.9
269.11749	0.8
277.08490	2.2
278.09320	1.6
279.10022	0.6
280.07312	4.1
280.10562	0.7
281.08023	2.3
281.11566	1.1
282.08667	0.7
283.09595	2.1
284.10205	0.7
285.11160	1.2
292.10757	0.7
293.08041	1.4
293.11710	6.8
294.08780	1.2
294.12238	0.9
295.09552	2.8
296.10406	4.9
297.07669	1.0
297.11169	1.8
298.08356	0.8
299.12805	1.0
300.09924	2.8
309.11224	1.7
310.11923	1.4
311.09332	0.9
311.12750	6.9
312.09836	0.9
312.13342	0.8
313.10678	6.3
313.14340	4.9
321.11234	5.1
323.12607	0.5
325.10645	1.0
325.14252	2.0
326.11453	0.6
327.12244	5.8
328.12656	0.8
331.15375	1.5
338.11380	0.6
339.12247	45.4
340.12930	5.1
341.13861	3.6
343.15393	7.4
351.12173	0.7
353.13852	1.3
355.15503	1.1
359.14850	15.6
360.15039	0.7
361.16333	1.3
370.14001	0.6
371.14862	100.0
372.15146	3.7
373.16522	1.1
389.15759	0.6
401.15729	3.5
425.15964	1.0
449.15930	1.6
467.17163	0.9
505.21960	1.2
509.21286	0.7
544.39874	0.5
553.16724	1.0
571.17590	0.8
607.20221	1.8
637.19928	0.6
775.86731	0.6
852.30688	1.4
853.32263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.7
65.03930	1.2
68.99775	0.7
69.03416	2.8
69.09230	1.9
69.09637	1.0
71.04982	0.6
79.05490	0.6
81.03409	3.8
85.02893	7.1
87.00806	2.8
91.05481	2.7
93.07046	0.9
95.04952	2.4
97.02879	1.9
99.04417	0.9
100.85124	0.4
102.22907	0.5
103.05460	1.1
105.01874	1.1
105.07034	1.8
107.04939	1.7
107.08559	0.7
109.02873	2.6
110.03658	0.9
111.04432	1.4
115.05471	1.0
117.01807	0.4
117.06988	0.8
119.04939	2.5
121.02834	0.8
121.06499	1.5
122.03616	0.5
122.41455	0.4
122.89910	0.4
123.04403	0.7
125.05978	1.3
127.03902	3.5
128.06224	0.7
129.06989	0.9
131.04947	2.3
131.08528	0.5
133.02797	2.3
133.06477	2.0
135.08041	0.9
137.05962	6.8
138.06276	0.6
141.06987	0.8
145.06482	0.8
147.04393	1.6
149.06009	0.5
151.03856	0.7
151.07533	5.0
153.01826	0.5
153.05463	3.1
159.02856	1.2
159.08022	0.8
160.05127	0.8
161.06021	2.4
163.07513	3.2
165.05580	0.5
166.07692	0.6
167.07030	13.3
171.07967	0.5
174.06818	0.6
175.07521	3.1
177.07698	0.8
177.09100	8.2
178.07707	0.7
179.06955	1.3
179.08470	0.8
181.04938	4.0
181.06425	0.9
181.08565	1.0
187.07471	0.8
188.08212	0.5
189.09084	1.8
189.65547	0.5
191.07004	1.3
191.08531	0.8
193.08574	8.4
193.10184	0.8
194.07170	0.6
195.08128	0.7
195.10092	0.7
196.08965	0.5
201.09140	0.6
203.06921	0.6
205.04732	0.6
205.06491	0.7
206.07361	0.6
207.08052	1.6
209.06160	0.6
209.09613	0.7
210.06717	0.6
211.07689	0.5
215.08472	0.5
219.08096	1.0
219.10139	1.1
221.06015	1.3
221.09612	1.7
221.11583	0.7
222.06677	1.3
222.10344	0.7
223.07521	1.8
224.08296	1.7
225.09071	1.3
229.08678	0.6
231.07988	0.5
233.09784	0.7
234.06638	0.9
235.07498	2.7
236.08292	1.7
237.05476	1.0
237.09119	2.9
238.09944	0.8
239.07101	0.6
239.10811	1.0
240.07820	1.0
247.07576	0.5
249.09087	6.8
249.11505	0.3
250.06197	1.3
250.09846	1.9
251.07074	2.0
252.07817	5.3
253.08617	2.9
253.12212	0.6
254.78717	0.5
255.10139	1.2
257.08118	0.8
260.08408	0.6
261.09024	1.1
262.09625	0.5
263.07034	1.8
264.07788	2.4
264.10797	0.4
265.08566	8.4
265.11783	0.7
266.09299	5.8
267.10159	1.8
268.07358	0.6
269.07922	0.8
269.11758	1.2
275.10397	0.5
277.08582	2.3
278.09308	1.0
279.06610	0.7
279.10056	1.1
280.07364	4.3
280.10422	0.8
281.08014	2.5
281.11288	0.7
283.06369	0.8
283.09628	2.0
284.10504	1.0
285.11145	1.2
293.08069	1.7
293.11716	6.4
294.09076	0.7
295.06564	0.6
295.09567	3.2
296.10419	6.1
297.07861	1.1
297.11203	1.6
298.08401	1.1
299.12766	1.1
300.09875	1.6
304.38080	0.5
307.09857	0.6
309.11230	2.3
310.11810	0.9
311.09268	0.7
311.12726	7.4
312.09949	1.6
313.10635	7.8
313.14340	5.6
314.60107	0.5
321.11188	4.6
322.11606	0.7
323.12872	0.5
324.09903	0.5
325.10831	1.0
325.14346	2.8
326.11392	0.8
327.12207	6.0
327.15714	0.7
329.14041	0.5
331.15326	1.7
337.10672	0.6
339.12241	44.7
340.12900	4.8
341.13702	4.4
343.15378	7.0
351.12305	0.7
353.13937	0.9
355.15411	1.3
356.12485	1.0
359.14868	17.1
360.15085	0.7
361.16504	1.7
371.14856	100.0
372.15161	4.1
373.16388	1.0
389.16028	0.8
401.15994	3.5
425.15808	0.6
431.14822	0.7
449.15994	1.6
467.16852	1.8
505.22217	1.3
553.16785	1.1
571.17773	0.9
607.19617	1.7
623.45514	0.5
637.20026	1.1
852.30579	1.8
853.32471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.9
65.03949	1.2
66.11585	0.6
67.05499	15.3
67.05860	0.9
69.03430	2.8
69.07059	5.5
70.03931	1.6
70.04303	1.3
71.04984	4.6
73.02915	2.2
79.05486	20.4
81.03413	32.9
81.07050	21.2
82.03754	0.7
83.01332	1.3
83.04980	9.2
83.08616	15.8
85.02901	16.5
91.03949	2.4
91.05474	18.0
93.07042	22.7
95.04967	16.5
95.08595	18.2
96.08928	0.7
97.02887	5.3
97.06519	2.9
97.10174	2.5
99.04472	2.8
103.05520	0.8
105.04507	0.8
105.07019	13.7
107.04966	7.5
107.08585	17.5
109.06526	4.3
109.10141	3.2
111.04446	2.2
111.08072	5.7
113.05991	1.8
115.05462	1.1
117.07010	5.6
119.08572	14.5
121.06513	3.8
121.10120	11.4
123.08097	2.3
125.06007	1.3
125.09626	1.4
129.06989	5.6
131.08562	7.0
133.06487	1.6
133.10126	6.5
135.08066	1.9
135.11685	23.6
137.09650	1.3
139.07513	1.1
142.07797	0.8
145.10120	15.9
145.11226	1.2
147.08038	1.8
147.11682	7.9
149.09619	2.6
155.89777	0.6
157.10126	7.3
163.05986	1.0
163.11174	37.3
164.11536	0.9
165.12746	1.9
175.11139	8.2
181.12216	6.3
191.10628	1.1
193.12233	22.3
193.13948	1.1
209.11597	1.3
211.13272	25.3
227.12758	36.3
267.15891	25.6
267.18735	1.3
283.15384	47.5
284.15656	0.8
285.16940	37.1
286.17328	1.6
383.22153	1.2
401.23184	0.9
457.26065	2.0
475.26895	33.6
476.27319	1.5
490.76224	0.7
493.27948	100.0
494.28012	5.5
637.32043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.8
65.03945	0.6
67.05499	10.9
67.10533	0.6
69.03429	2.2
69.07075	3.2
71.04980	2.6
73.02905	1.9
77.03923	0.7
79.05493	13.5
81.03417	29.8
81.07056	14.7
82.29619	0.6
83.01350	2.2
83.04979	8.9
83.08622	12.4
85.02904	15.3
85.06540	1.1
91.03960	3.2
91.04937	1.0
91.05479	14.0
93.07047	14.0
95.04967	11.3
95.08614	5.1
97.02889	4.6
97.06528	3.1
97.10163	2.3
98.22684	1.3
99.04427	1.8
100.75465	0.7
104.33421	0.6
105.07027	12.4
107.04958	5.4
107.08577	5.7
109.06495	4.3
109.10169	1.4
111.04458	1.4
111.08086	4.3
113.05988	1.1
117.07006	3.7
119.08582	10.4
119.40327	0.5
121.06502	2.1
121.10149	5.6
123.08069	4.5
123.11746	0.5
125.05996	0.8
125.09602	1.5
127.03917	1.2
129.06979	5.1
130.07780	0.6
131.04961	0.6
131.08586	4.4
132.62115	0.6
133.06467	0.8
133.10094	4.1
135.08102	0.8
135.11662	4.1
137.09613	1.3
145.04982	1.1
145.10110	5.8
147.08038	2.1
147.11678	6.3
149.09604	2.6
149.57901	0.5
150.17036	0.6
153.12767	0.8
155.08583	0.6
157.10136	5.9
163.06017	2.3
163.11185	9.2
164.16380	0.6
165.12807	1.0
173.09573	1.7
175.11220	6.2
181.12189	1.4
191.10701	1.5
193.12239	19.6
193.13977	1.2
209.11679	3.2
211.13290	32.1
212.13484	1.1
214.35043	0.6
227.12721	1.3
247.08018	0.6
249.14864	0.8
265.14539	0.7
267.15942	8.5
283.15390	34.4
284.15820	0.8
285.16965	29.1
286.17194	1.3
383.22159	1.7
448.05383	0.6
457.25888	3.9
475.26895	16.5
476.27118	0.9
493.27948	100.0
494.28040	4.1
507.16141	0.6
671.64392	0.6
824.55914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.9
64.82693	0.4
65.03924	1.3
67.05496	23.3
69.03422	8.2
69.07060	25.8
71.04968	1.4
75.04562	0.5
77.03890	1.1
79.05484	21.3
81.03414	4.7
81.07045	20.2
83.04978	4.1
83.08608	8.8
84.39481	0.5
85.02887	1.4
85.06525	0.8
86.09694	0.7
91.05470	17.0
93.06438	1.1
93.07030	18.6
93.96789	0.5
94.04140	0.7
95.04958	9.2
95.08588	8.5
97.02882	8.1
97.06522	3.8
97.10159	12.1
99.04448	0.8
101.09672	0.6
103.05437	0.7
105.03413	0.7
105.04498	0.8
105.07017	13.4
106.38604	0.6
107.04952	7.7
107.08586	13.4
109.02872	0.8
109.06512	3.3
109.10144	6.8
111.04414	1.5
111.08075	2.0
113.05968	0.5
115.05412	1.4
117.06998	8.3
119.04930	1.5
119.08570	12.4
121.06496	3.0
121.10126	4.2
123.04376	1.2
123.08054	4.0
123.11694	1.1
125.09626	7.9
127.03986	0.6
128.06288	0.7
129.06985	3.8
130.07829	0.9
131.08553	8.9
133.06494	3.4
133.10120	7.1
134.07248	1.5
135.08054	3.1
135.11702	2.5
137.09587	2.3
141.06990	0.7
142.07726	0.8
143.08540	3.1
145.06461	1.3
145.10126	6.8
147.08026	6.2
147.11656	4.8
149.09612	2.8
149.13239	1.8
151.11186	0.6
151.39088	0.6
153.09084	0.8
155.08502	1.0
157.10133	3.5
159.08031	1.0
159.11690	3.9
161.09586	2.8
161.13298	0.9
162.10410	1.3
163.11166	2.5
165.09174	1.0
169.10132	0.9
169.12157	1.0
171.10155	0.6
171.11644	2.1
173.09564	1.4
173.11763	0.6
173.13156	1.0
175.11156	3.0
177.12717	2.1
185.13120	1.0
189.11185	4.2
189.12694	0.9
193.12224	0.9
193.93918	0.5
195.13809	2.2
197.13248	0.8
205.12158	1.6
213.14801	0.7
223.13245	16.1
227.12720	6.3
227.17775	0.6
233.15292	1.3
234.86092	0.5
245.19026	1.3
249.14877	3.6
255.17412	1.0
257.18964	0.6
261.18503	1.0
263.20096	1.2
267.15970	1.5
271.16888	1.1
273.18475	15.4
275.20068	1.8
279.15811	0.6
283.15463	0.6
289.17966	2.2
291.19507	100.0
292.19772	3.0
297.00082	0.5
309.20578	1.0
347.22134	2.3
349.23679	1.4
354.24435	0.6
363.21478	2.4
365.23181	43.9
366.23538	1.1
541.90436	0.5
557.34393	2.7
573.34344	0.6
575.35602	1.5
585.91522	0.6
621.41199	1.2
623.42950	0.9
637.40704	3.3
655.41943	39.6
656.42358	2.8
755.31647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	1.6
65.03928	2.1
67.05499	47.9
68.05824	0.8
69.03418	9.9
69.07063	27.4
69.07874	1.3
69.08280	4.6
71.04989	4.0
73.06599	0.8
77.03909	1.3
79.05483	34.9
81.03407	7.4
81.07048	50.1
82.07383	0.9
83.04973	7.6
83.08168	1.3
83.08612	8.8
85.02889	1.4
85.06506	4.0
86.09669	1.1
91.05470	46.1
93.06441	1.8
93.07031	33.1
95.01302	1.6
95.04958	13.9
95.08593	18.0
97.02888	7.1
97.06512	6.2
97.10156	9.5
98.46162	0.8
99.04494	1.2
99.08018	1.0
103.05450	1.1
105.03379	0.9
105.04510	2.4
105.07018	39.2
107.04945	11.1
107.08581	27.4
109.02875	0.9
109.06512	6.9
109.10141	33.3
111.04430	1.6
111.08069	2.9
113.05984	1.1
115.05436	2.0
116.02728	0.9
117.07013	11.3
119.04931	2.1
119.08558	17.0
121.06513	7.3
121.10133	7.5
123.04408	1.2
123.08060	4.9
123.11687	6.0
125.09609	6.9
127.07520	1.9
128.06201	1.6
129.06978	5.4
131.08554	13.0
133.06490	5.1
133.10112	40.0
135.08040	9.2
135.11671	4.2
137.09621	2.8
143.08511	5.7
145.06485	1.0
145.10092	8.2
147.08040	7.0
147.11668	4.9
149.09618	3.9
149.13261	2.0
151.11160	18.1
153.09119	2.0
155.08476	1.4
157.10161	3.3
159.08008	2.2
159.11676	4.4
161.09637	6.5
161.13275	2.1
163.11134	1.8
165.09079	2.0
169.10020	0.8
169.12242	5.2
171.11673	2.6
173.09566	1.3
173.11826	0.8
173.13254	1.2
175.11172	3.7
177.09070	2.2
177.12701	1.4
179.10582	1.4
181.10280	1.1
181.12135	1.1
183.11702	1.2
184.07344	1.9
185.13318	2.0
187.11179	1.2
189.11192	2.4
189.12770	1.2
193.12196	1.2
195.13754	1.2
197.11644	1.0
199.11047	0.9
205.12215	2.1
207.13631	0.8
211.41455	0.8
215.12747	1.8
223.13251	14.0
227.12683	4.0
227.17828	2.0
237.16273	1.4
245.18997	4.4
249.14748	4.3
251.12735	1.8
253.14320	86.9
254.14777	1.8
255.17422	2.8
263.20041	3.4
273.18466	31.8
275.20102	1.5
291.19501	100.0
292.19870	3.4
309.20590	2.3
329.21045	1.4
347.22122	9.7
363.21649	1.2
365.23181	46.6
366.23422	1.8
401.25009	0.9
423.23511	1.5
464.92197	1.1
465.31107	0.9
493.37552	0.9
543.32800	4.1
559.32184	1.2
561.34143	16.4
575.35980	1.8
637.40826	8.1
655.41919	28.5
656.42212	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	852.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.5
67.05499	48.7
69.03427	7.9
69.07063	20.5
69.97266	3.8
71.01325	1.0
71.04986	3.3
79.05488	47.6
81.03417	6.4
81.07050	47.4
83.04978	10.3
83.08616	26.7
85.02898	2.3
85.06527	2.1
88.07635	2.9
91.05474	50.8
93.07041	34.6
95.04973	10.1
95.08591	16.3
96.76462	1.1
97.02884	1.7
97.06536	7.8
97.10160	57.0
99.08071	1.7
103.05457	2.1
105.04503	1.6
105.07020	24.4
106.49281	1.1
107.04945	7.7
107.08588	38.7
109.06529	6.8
109.10162	12.8
109.53165	1.2
111.04390	1.2
111.08077	4.7
115.05444	3.9
117.07006	30.8
119.08571	52.0
121.06512	5.0
121.10135	5.8
123.08074	2.4
124.79070	1.2
125.08695	2.7
125.09622	52.1
127.03867	1.5
128.06223	3.0
129.06976	6.9
131.08556	15.9
133.06483	3.6
133.10123	12.5
135.08028	14.0
135.11697	6.2
137.09572	1.7
141.07018	2.2
142.07732	1.5
143.08527	9.1
143.10570	1.5
145.06485	15.0
145.10112	12.1
146.06816	1.5
147.08063	4.5
147.11676	6.1
149.02307	3.3
149.09593	11.9
149.13243	4.0
151.11234	1.8
153.09079	4.3
155.08572	4.9
157.10147	6.7
159.08051	10.5
159.11667	7.1
160.11201	2.6
161.09589	3.3
161.13248	2.1
163.07568	2.8
163.11140	8.5
166.07829	1.2
169.10115	4.1
171.10199	2.8
171.11589	2.6
173.09567	2.5
173.13271	3.8
175.11206	2.3
177.12755	2.2
179.14307	2.7
183.11670	2.9
187.11279	1.3
189.11205	39.1
193.04967	1.9
195.13814	1.6
197.13228	1.9
227.12747	100.0
228.13205	1.3
229.14348	1.4
229.19484	1.9
235.14876	1.7
239.17905	3.0
243.17444	2.8
245.13870	4.9
247.20407	1.3
256.26303	2.5
257.18979	6.4
257.26630	2.1
258.08963	1.6
267.15897	1.9
269.17377	7.1
271.16904	47.1
273.18536	1.7
275.20041	22.4
289.17969	13.6
293.20999	1.8
345.20712	6.9
349.23627	12.7
363.21579	14.1
367.24701	1.5
381.22620	1.2
397.22034	2.8
421.25787	4.1
425.25311	5.9
439.26901	13.7
491.34006	1.4
501.31906	2.4
507.67612	1.5
519.33160	17.8
520.53522	1.3
525.32361	2.7
539.33447	9.6
543.32965	5.9
557.34656	33.5
558.34821	1.6
619.39563	6.3
637.40869	14.4
655.41461	4.6
844.34570	1.5
852.40857	8.4
853.40997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.0
67.05502	26.1
69.07070	11.4
71.01345	1.8
71.08630	11.6
73.02911	2.5
77.38338	1.5
78.93996	1.6
79.05485	22.7
81.03427	4.0
81.07051	16.1
82.07353	1.4
83.04976	7.2
83.08627	7.5
85.02887	8.3
85.10179	6.3
91.03967	3.8
91.05463	11.8
93.07040	27.5
95.04976	4.6
95.08598	15.0
97.02881	3.3
97.06522	5.6
97.10171	8.8
105.07066	2.9
107.08585	16.5
109.10169	8.1
109.66007	1.8
111.08030	2.2
111.11668	2.0
117.07024	4.6
119.08595	4.7
121.10166	2.9
123.11662	2.4
125.09565	2.1
133.10120	3.6
135.11685	30.7
135.23753	1.9
145.10106	5.3
153.12808	1.6
163.06018	2.0
163.11203	2.8
181.12234	5.4
214.92505	1.5
239.23764	1.7
243.90475	1.7
255.15897	100.0
256.16266	3.4
313.27347	40.6
489.51663	1.7
491.31116	1.9
493.38821	76.3
494.38947	5.4
736.33551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	7.2
67.05505	4.5
68.30559	1.0
69.03427	4.5
69.71027	3.4
73.02928	4.0
79.05503	2.5
81.03435	1.5
81.07063	3.4
85.02886	7.4
91.03954	4.0
91.05476	1.7
93.07049	2.9
95.08628	1.4
97.02875	7.6
99.04429	0.9
101.02363	1.6
103.03944	1.1
109.10168	2.6
119.08631	1.3
127.03907	2.4
167.57220	1.1
169.73152	0.9
185.04320	0.9
195.10013	1.0
222.20724	1.0
243.08382	2.5
275.42261	1.0
347.09708	1.5
365.10684	1.8
405.13602	6.9
413.17825	5.1
457.45187	1.0
519.29340	5.5
575.23297	3.9
681.33997	7.6
691.39691	1.7
853.45386	100.0
854.46332	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02628	0.7
61.02921	11.4
61.92822	0.4
65.03931	2.4
67.05496	31.5
68.05817	0.6
69.03421	6.7
69.07063	9.7
71.01367	0.4
71.04983	7.5
73.02904	3.5
77.03886	0.4
79.05484	35.5
81.03408	98.7
81.07047	37.1
81.07550	0.6
82.03742	1.0
83.04970	22.6
83.07869	0.6
83.08608	35.6
85.02895	45.2
85.06527	3.1
87.04459	0.7
91.03946	7.0
91.05469	42.6
92.05806	0.8
93.07034	23.5
94.07364	0.5
95.04957	40.9
95.08591	14.2
96.04524	0.6
96.05252	0.5
97.02879	9.5
97.06519	4.7
97.10143	5.8
99.04459	1.3
99.08089	1.9
103.05459	0.8
105.04510	1.1
105.07017	31.8
107.04945	10.5
107.08576	10.2
109.02853	1.0
109.06508	6.5
109.10144	4.2
111.04424	3.4
111.08067	15.4
113.05978	4.4
115.05417	2.8
117.07018	2.4
119.04957	1.0
119.08567	28.2
120.08960	0.5
121.06486	3.0
121.10125	14.0
121.10981	0.9
122.00239	0.4
123.08060	2.9
123.11702	2.2
125.05936	0.5
125.09576	2.0
127.03923	2.5
127.07552	1.1
128.06160	1.1
129.06992	17.1
131.08548	15.5
133.06487	3.8
133.10112	16.4
135.08044	0.6
135.11678	0.6
137.05949	0.5
137.09590	3.1
137.13309	0.5
137.21382	0.4
141.06924	0.6
142.07739	4.2
143.08466	0.6
145.04930	1.8
145.06476	0.5
145.10121	2.2
147.08057	5.7
147.11665	22.9
148.12016	0.8
149.09592	9.1
151.11183	0.8
155.08575	0.6
157.10106	21.8
158.10449	0.8
163.06052	2.4
163.11186	1.5
165.12741	5.1
175.11163	21.5
193.12216	63.5
194.12585	1.2
195.11691	0.5
211.13260	94.6
212.13651	2.2
227.12730	0.7
233.15364	0.5
241.07620	0.5
249.14803	1.7
267.15869	48.8
268.16437	1.0
273.14801	1.1
285.16925	94.3
286.17261	2.1
338.61655	0.4
349.21475	0.9
357.24222	0.4
367.22540	4.6
385.23642	5.4
403.24719	2.0
418.41284	0.4
429.21457	0.6
433.25589	2.7
441.26434	1.9
459.27344	35.9
460.27615	1.2
477.28424	37.4
478.28583	2.1
495.29453	100.0
496.29877	3.8
621.32471	0.6
639.33539	2.2
658.91785	0.6
696.77386	0.4
713.09479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	15.4
61.90533	1.6
65.03954	2.3
67.05503	86.5
69.03433	9.5
69.07066	23.2
70.30811	4.2
71.01338	3.5
71.04978	8.9
73.02915	7.5
79.05489	53.0
81.03412	30.9
81.07054	89.3
82.04205	2.9
83.01321	2.1
83.04990	16.4
83.08612	24.6
85.02908	18.2
85.06529	6.7
86.09713	1.7
87.04462	3.6
91.03960	12.3
91.05471	39.2
91.06042	2.0
93.06444	3.2
93.07040	66.9
95.04960	19.6
95.08606	22.8
96.26557	1.6
97.02895	15.5
97.06528	18.0
97.10161	16.1
97.10766	2.3
98.07314	3.7
99.04427	2.4
99.08086	6.2
105.04519	2.7
105.07023	22.4
107.04947	8.3
107.08585	36.7
107.09254	3.1
109.02875	2.8
109.06516	5.2
109.10158	20.5
111.04435	3.9
111.08080	9.9
115.05454	2.1
116.04712	7.2
117.07017	13.3
117.47667	1.8
119.08582	18.5
121.06475	5.6
121.10133	20.4
123.08076	8.2
123.11709	4.6
125.09650	12.3
127.03899	5.7
128.06133	1.9
129.05464	15.3
129.07001	5.8
131.08572	16.0
133.10123	19.1
135.08017	3.5
135.11673	14.4
136.21005	1.6
137.09650	3.9
143.07022	4.2
143.08670	1.9
145.04924	3.2
145.10117	7.8
147.08046	5.2
147.11687	8.1
149.09607	5.4
149.13226	23.6
153.09108	2.6
153.12727	3.1
157.08595	7.5
157.10007	3.4
158.05658	2.1
159.11729	9.4
163.06038	3.7
163.11195	9.6
165.12840	3.2
171.06602	2.7
171.10175	3.1
173.04434	1.8
173.09589	2.6
173.11742	7.4
175.11142	5.0
177.12801	8.6
181.12224	3.9
189.11278	5.1
191.10551	3.1
193.12247	8.1
195.13782	16.4
199.13235	13.6
209.11728	10.1
210.12340	2.0
211.13275	7.9
213.14885	3.3
227.12714	8.9
229.14377	5.7
229.93629	1.7
255.15909	2.6
265.14102	3.2
267.15921	8.4
269.17444	74.9
270.17917	2.0
283.15359	17.7
284.81378	2.1
285.16873	5.2
301.16434	36.3
323.18503	6.0
393.26550	8.8
411.27405	14.4
413.21881	2.6
423.22021	2.7
423.27438	41.6
449.28870	3.0
459.27304	6.8
461.29086	5.8
477.28409	31.5
478.28949	6.8
495.29501	100.0
496.29944	4.0
621.32025	6.3
639.33569	7.9
676.45715	1.9
855.39948	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	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.5
64.14455	1.0
65.03929	4.5
67.05499	62.1
67.43364	1.0
68.05830	1.0
69.03419	13.2
69.07062	40.7
71.01349	1.5
71.05002	5.0
73.02903	1.4
77.03906	1.3
79.05485	54.4
81.03413	12.9
81.07052	71.4
82.07390	2.1
83.04971	12.5
83.08617	16.5
85.02899	3.2
85.06532	4.6
91.05473	51.0
91.66697	1.0
92.12868	1.2
93.07037	50.2
95.01311	1.2
95.04409	1.8
95.04961	17.8
95.08597	25.0
97.02884	10.2
97.06525	13.3
97.10167	13.5
99.04398	1.6
99.08087	2.0
103.05491	1.3
105.04509	3.8
105.07021	41.3
107.04947	14.8
107.08586	33.4
108.08978	1.1
109.02844	1.2
109.06524	6.3
109.10145	18.6
111.04440	1.4
111.08079	4.8
113.05962	1.5
113.09631	1.1
115.05442	3.4
117.07009	16.6
119.04962	1.1
119.08566	25.9
120.05644	0.9
121.06490	7.1
121.10139	15.3
123.04420	1.3
123.08064	4.7
123.11685	3.4
125.09627	13.1
127.03896	2.1
128.06206	2.5
129.07019	5.6
131.08548	21.0
133.06525	4.8
133.10115	28.5
135.07318	0.8
135.08061	8.1
135.11674	10.9
137.09607	4.0
141.07004	2.2
142.07813	1.2
143.08533	5.4
145.06503	2.4
145.10109	15.5
147.08044	7.1
147.11684	8.2
149.09625	9.1
149.13243	8.8
151.11136	6.9
153.12706	1.2
155.08498	2.0
157.10051	5.4
159.08014	2.2
159.11678	10.4
161.09563	3.5
161.13222	3.0
162.10428	1.3
163.11180	6.0
165.12787	1.3
167.08545	1.0
169.10147	2.7
169.12274	1.3
171.11661	3.6
173.04427	1.1
173.09624	1.3
173.13258	3.5
175.11182	2.6
177.12741	4.2
179.10591	1.4
179.14261	2.3
183.11664	3.4
185.13203	1.8
187.11099	2.2
187.14828	1.6
189.11183	5.3
189.12709	1.7
193.12186	1.4
195.11819	1.1
195.13754	4.9
197.13286	1.8
205.12245	1.2
223.13284	18.2
227.12726	8.6
239.17976	1.4
245.18988	2.6
249.14819	3.3
253.14284	13.7
255.15898	3.9
257.18979	7.3
262.15466	1.4
263.20123	1.5
267.15854	3.4
269.17435	23.2
273.18460	17.7
275.20032	16.5
291.19516	100.0
292.19943	2.4
293.21033	1.3
309.20612	2.1
325.16296	1.0
331.22809	1.1
333.24118	1.1
347.22064	4.1
349.23682	14.7
357.53055	1.2
365.23203	39.9
366.23514	1.3
367.24686	1.2
413.21625	1.4
447.27521	1.4
461.28528	1.3
465.27985	1.3
479.29654	1.2
527.33569	1.8
541.34875	3.7
545.34833	14.7
559.36243	64.9
560.36499	1.6
621.41461	1.5
639.32648	1.6
639.42444	15.8
657.43182	3.2
854.45703	5.2
855.45013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.2
65.03923	6.6
67.05498	84.7
67.93335	1.1
68.71793	1.3
69.03429	9.9
69.07064	34.3
69.79648	4.3
71.04999	8.5
71.08617	2.4
73.02927	2.2
77.03919	2.1
79.05106	1.0
79.05485	69.6
81.03410	15.4
81.07050	100.0
82.07429	1.3
83.01306	1.6
83.04976	15.8
83.08607	12.5
84.72206	1.0
85.02915	3.9
85.06518	7.7
85.10174	1.5
87.04466	3.0
89.06026	3.1
91.05473	82.7
93.07037	70.6
95.04953	23.2
95.08599	34.8
97.02901	4.3
97.06521	15.8
97.10146	5.6
98.22700	1.3
99.04446	2.1
99.08089	3.7
103.05457	4.1
105.04519	4.0
105.07021	69.4
107.04951	18.7
107.08585	53.0
109.02866	2.6
109.06494	12.1
109.07088	1.1
109.10146	58.5
110.10502	1.2
111.04461	1.7
111.08067	6.5
113.06011	2.7
115.05436	3.0
115.07607	1.2
116.06218	2.0
117.07015	21.4
119.04983	1.4
119.08572	30.1
121.06509	14.2
121.10134	17.7
123.04438	2.1
123.08052	6.5
123.11705	11.0
125.09627	5.0
127.07548	3.1
128.06227	2.9
129.05525	1.3
129.06993	9.4
130.07729	1.1
131.08551	24.5
133.06497	6.7
133.08575	2.6
133.10118	83.7
134.10464	1.5
135.08046	10.4
135.11693	13.7
137.09616	4.9
139.07523	1.3
141.06961	2.9
142.07809	1.3
143.08551	10.0
145.06512	2.2
145.10117	16.9
147.08047	4.9
147.11681	12.8
149.09605	21.1
149.13272	8.4
151.11168	30.6
155.08533	2.3
157.10101	6.3
159.08092	2.5
159.11673	15.9
161.09607	9.1
161.13263	5.2
163.07542	1.9
163.11143	11.0
165.09138	1.4
169.10078	2.6
169.12253	5.2
169.90851	1.1
171.11642	6.7
173.04504	1.7
173.09657	2.6
173.13281	4.1
175.11182	4.6
177.09146	1.9
177.12741	4.6
179.10646	2.9
179.14328	4.2
181.10092	1.3
183.11725	3.2
185.13258	2.6
187.11174	2.6
187.14876	2.0
189.11067	1.6
189.12776	2.9
191.14316	1.3
193.12228	2.5
195.11951	1.2
195.13783	3.6
197.13261	1.5
199.14806	1.6
201.12772	1.6
201.16364	1.3
207.13951	1.2
213.12927	1.6
215.12856	3.6
227.12700	2.9
227.17888	1.6
229.19521	2.0
231.14067	1.2
239.17918	2.6
245.19029	4.2
247.20493	1.6
251.12836	2.0
251.16405	1.4
253.14328	88.8
254.14825	2.0
255.15961	5.3
257.18939	6.6
259.20303	1.8
263.20099	4.2
267.15875	1.4
269.17435	14.0
271.15350	3.9
273.18433	21.8
275.20023	25.1
291.19537	19.2
303.16025	1.3
304.19766	1.5
309.20636	1.4
347.22049	8.1
349.23730	16.0
359.19196	1.3
365.23111	22.0
367.24911	2.5
423.23947	1.7
447.27341	5.2
451.26523	2.8
465.28342	8.1
527.33752	4.0
541.35095	3.3
545.34753	15.2
559.36218	32.1
560.37036	2.5
616.74268	1.3
621.42010	1.2
623.43335	1.7
639.42383	9.1
657.43225	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	854.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	3.3
67.05501	52.7
69.03436	10.3
69.07064	38.0
69.18133	4.9
71.04986	3.5
77.03951	1.4
79.05489	43.4
81.03417	11.7
81.07053	48.9
83.04971	10.6
83.08602	14.6
85.02960	1.1
85.03560	1.2
85.06551	3.0
87.36819	1.2
91.03925	1.1
91.05472	36.6
93.06448	1.9
93.07041	39.8
95.01289	1.4
95.04974	13.6
95.08601	21.0
97.02900	11.1
97.06522	11.0
97.10163	14.5
99.08104	1.6
103.05450	2.0
103.69094	1.1
105.04506	2.4
105.07022	29.8
106.14299	1.1
107.04939	12.2
107.08588	26.3
109.02866	1.9
109.06497	7.2
109.10150	11.3
111.04420	1.5
111.08088	4.7
113.09647	1.8
115.05429	1.9
117.07006	14.9
119.08578	22.1
121.06458	5.7
121.10149	12.3
123.08064	5.6
123.11726	2.4
125.09605	11.9
127.03910	1.7
128.06207	1.6
129.07004	4.6
131.04985	1.3
131.08554	18.9
133.06516	2.7
133.10115	18.1
135.08046	6.1
135.11700	10.3
137.09628	3.4
141.06989	1.3
143.08580	4.2
145.06436	1.4
145.10135	11.1
147.08046	5.6
147.11679	6.8
149.09604	8.6
149.13254	7.5
151.11159	3.6
153.12859	1.2
155.08553	1.3
155.24489	1.1
157.10124	4.4
159.11673	8.8
161.09619	3.2
161.13248	2.0
163.11168	7.2
165.09138	2.5
165.12637	1.3
169.10152	2.5
171.10217	1.3
171.11676	3.5
173.04483	1.1
173.09552	1.4
173.13248	2.7
175.11186	3.5
177.12761	4.7
179.14288	1.7
183.11742	2.9
185.13174	1.5
189.11212	6.4
189.12720	2.4
191.14500	1.5
193.12224	1.2
195.13786	4.7
199.14734	1.5
203.73421	1.3
205.12163	2.8
223.13252	17.9
223.15239	1.5
227.12723	12.5
227.14362	1.1
239.17816	2.1
245.18994	1.5
247.20485	1.2
249.14830	2.9
253.14304	6.4
253.18176	1.1
255.15692	6.5
257.18942	6.8
261.14792	1.3
267.15945	1.8
269.17438	19.4
273.18463	15.4
275.02322	1.4
275.20044	20.6
283.15454	1.8
283.99036	1.2
291.19519	100.0
292.19876	3.3
293.21030	2.1
297.16971	1.1
309.20718	1.3
331.22610	1.6
347.22256	2.8
349.23724	17.5
365.23206	48.0
366.23599	2.7
367.24863	1.7
413.21542	2.0
423.23611	1.5
461.29077	2.5
473.74011	1.2
491.30457	1.2
535.33063	2.1
541.34875	2.5
545.34680	13.6
546.34406	1.9
559.36298	50.9
560.36511	4.1
629.05011	1.3
639.42560	20.4
640.42560	1.8
657.43768	5.2
869.78491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	10.1
67.05163	6.3
67.05500	89.6
68.73504	3.8
69.03415	11.1
69.07066	36.1
71.04980	13.0
73.06541	4.6
73.57694	4.0
75.25809	3.7
79.05484	75.9
81.03416	12.6
81.07050	83.3
83.04967	8.4
83.08613	14.7
85.02905	9.6
85.06545	5.7
91.05470	100.0
93.07039	73.7
95.04965	27.4
95.08604	49.0
97.02883	9.6
97.06529	11.6
97.10168	7.1
98.22719	10.8
99.08115	7.2
105.04486	6.7
105.07017	73.5
107.04946	10.8
107.08594	41.6
109.06523	11.1
109.10149	21.6
111.08048	4.5
117.07011	26.5
119.08575	51.6
121.06488	7.5
121.10130	21.9
123.08057	7.3
128.06195	10.7
129.06996	18.1
131.08577	39.9
133.10098	38.0
135.08064	7.1
135.11682	13.4
139.76640	3.7
141.07021	5.2
142.07793	5.3
143.08545	13.7
145.06473	8.0
145.10077	33.2
146.55722	4.0
147.07950	7.7
147.11736	19.1
149.09612	13.4
149.13217	8.9
151.11142	8.0
155.08516	9.3
157.10106	18.8
159.11659	24.7
161.09581	6.4
161.13266	15.6
163.11104	6.1
165.12830	4.1
169.10112	9.3
171.11664	14.9
173.13255	10.4
181.10129	7.9
183.11665	11.0
185.13278	11.1
195.11673	7.6
199.14807	7.9
209.13322	5.4
227.12920	4.6
240.57538	5.3
253.14281	6.0
259.20551	10.9
265.10831	4.6
267.15750	5.4
275.20035	16.1
313.27338	4.2
333.24158	14.3
335.25635	4.6
349.23999	5.8
421.31577	5.4
513.35590	12.8
527.37286	25.8
564.44946	4.1
607.43304	11.2
625.44391	13.3
639.46362	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	854.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03779	4.2
63.60711	4.8
65.03887	4.3
67.05499	90.9
67.05858	4.5
69.03422	6.9
69.07066	31.4
71.04999	28.7
73.06567	5.3
79.05484	71.4
81.03416	16.0
81.07056	100.0
83.04984	9.3
83.08619	15.8
85.02905	7.7
85.06522	8.7
85.34267	5.0
91.03939	4.5
91.05477	76.5
92.22363	4.8
93.07035	72.6
95.04945	24.8
95.08602	63.8
97.02860	4.6
97.06534	17.4
97.10152	7.8
99.08064	7.0
105.04530	8.2
105.07025	66.1
107.04943	11.0
107.08583	51.5
109.06489	11.9
109.10155	24.0
111.08084	8.5
117.07024	29.3
119.08582	55.6
121.06470	7.8
121.10142	32.6
121.62334	5.2
123.08069	6.3
123.11702	7.0
125.09621	9.5
127.03904	5.8
129.07028	14.8
131.08553	48.0
133.10120	49.3
135.08023	9.4
135.11687	19.7
137.09584	6.6
143.08556	21.2
145.10114	37.1
146.85092	5.1
147.11671	28.4
149.09615	11.1
149.13255	9.6
151.11137	9.7
152.25827	4.6
155.08534	8.1
157.10115	15.1
159.11700	25.4
161.13249	14.8
169.10106	17.5
171.11673	15.5
173.04482	6.5
173.09677	5.8
173.13298	17.5
175.14830	5.5
178.97069	5.2
179.16856	4.5
183.11694	14.0
185.13283	16.3
187.14919	6.3
190.21660	5.4
197.13216	11.2
199.14787	6.6
208.42389	4.8
209.13310	8.5
229.14326	6.6
241.19539	6.3
253.14331	8.2
257.18973	8.8
259.20569	19.2
269.17572	6.2
275.20120	23.6
315.23141	11.4
333.24365	29.1
335.25784	11.9
349.23935	9.9
365.23242	5.3
381.26782	4.9
513.35388	13.4
515.37994	5.4
527.37292	47.6
555.37030	6.0
607.43341	21.7
625.44287	17.3
639.45416	9.1
739.90765	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	855.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.1
67.05500	13.6
68.05811	1.2
69.03437	4.3
69.07067	4.0
71.04993	2.2
71.37282	0.8
73.02927	5.5
73.55244	0.7
74.98177	0.8
77.03937	0.9
79.05482	11.4
79.92588	0.8
80.05834	1.5
81.03406	8.9
81.07047	13.1
81.51923	0.8
82.03744	1.2
82.07386	1.0
83.04973	3.5
83.08608	4.3
85.02895	9.4
85.06528	1.2
85.53479	0.7
87.43070	0.8
91.03953	3.4
91.05478	11.1
92.05849	1.2
93.07031	9.6
95.08091	0.9
97.02873	7.3
97.06533	2.7
97.10199	2.4
98.23519	2.1
99.04410	1.5
101.02380	1.8
105.07014	6.1
107.04964	2.4
107.08583	4.9
108.08902	1.2
109.02873	2.4
109.06519	2.0
109.10176	3.9
111.04430	0.9
111.08139	1.0
117.07043	1.3
118.07339	1.0
119.08588	3.1
121.06528	1.2
121.10167	2.3
122.10521	1.0
125.09637	2.5
127.03934	3.1
129.05457	1.0
129.07005	2.1
131.08572	3.5
133.10176	2.9
135.11729	1.5
145.10132	2.1
147.10713	0.8
147.11739	3.6
149.09669	1.2
149.13254	1.7
152.01306	0.8
156.83430	0.8
161.09569	1.0
161.13226	1.1
163.11145	1.3
171.11737	1.1
175.11211	1.2
193.12292	2.4
195.13747	1.4
209.11879	1.5
211.13379	1.5
229.14287	1.2
243.08424	2.2
267.15991	2.0
268.16171	1.7
269.17410	5.4
270.17889	2.0
283.15485	2.0
301.16541	1.6
302.16794	1.2
328.41797	0.8
347.09656	2.5
387.36871	1.0
405.13333	5.5
412.27859	2.0
423.27481	2.5
424.27838	3.9
460.27802	1.8
461.29315	1.2
465.20917	7.7
469.20267	4.8
477.28693	4.0
478.28632	6.1
495.29538	3.1
496.29852	6.3
622.33264	1.6
627.26074	7.7
631.25964	3.0
633.91394	1.0
640.33905	2.6
693.34729	2.5
855.39642	100.0
856.39764	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	855.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	8.7
63.50788	0.7
67.05499	10.4
69.03426	3.8
69.07052	3.6
69.25489	3.6
71.01358	0.8
71.05011	1.6
73.02918	4.4
79.05479	10.7
80.05830	0.9
81.03407	6.8
81.07048	12.0
82.07393	1.8
83.04985	2.9
83.08609	3.5
85.02893	8.2
85.06547	1.0
87.04471	1.5
91.03947	6.2
91.05470	9.6
92.05812	0.8
93.07030	8.1
93.07530	0.8
94.07372	1.2
95.08599	4.8
96.05284	0.8
97.02876	7.9
97.06544	1.9
97.10167	1.0
99.04491	1.4
101.02403	1.6
105.04501	1.3
105.07008	4.7
107.04963	1.9
107.08584	4.4
108.08926	0.8
109.02885	1.7
109.06536	1.9
109.10167	2.3
111.04433	1.0
117.07039	2.2
119.08594	2.1
121.06549	1.4
121.10175	2.3
123.08105	1.6
125.09698	1.3
127.03931	2.9
129.07022	1.8
131.08574	2.0
133.10164	2.8
135.11711	2.0
136.12032	1.0
145.10144	1.5
146.10477	0.8
147.11676	3.4
149.09679	1.2
149.13289	1.0
149.16533	0.7
150.13635	1.0
159.11717	1.0
161.09702	0.7
161.13254	0.9
163.06151	0.7
163.11171	1.6
171.11751	1.5
175.11224	0.8
177.12718	0.8
193.12216	1.0
195.13863	1.2
199.13382	1.0
207.13896	0.7
209.11809	1.4
227.12871	0.9
243.08530	3.0
247.12944	0.9
251.12526	1.2
267.15900	1.2
268.16336	1.0
269.17487	3.4
270.17932	2.1
283.15396	1.0
284.15811	1.3
301.16684	1.2
307.15005	0.7
347.09515	2.8
365.10733	0.8
370.24628	0.7
405.13623	6.5
411.27423	0.8
423.27563	2.9
424.27878	2.3
460.28012	0.9
465.20877	10.2
469.20572	5.1
477.28485	1.9
478.28714	4.8
495.29764	2.9
496.29849	3.5
562.69739	0.9
622.32739	0.9
627.26080	8.2
631.25574	5.2
639.32593	0.8
640.34045	2.1
693.34351	2.9
855.39642	100.0
856.39984	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	856.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92743	1.6
61.02930	11.2
62.74232	1.7
65.03928	3.2
67.05499	100.0
69.03419	7.1
69.07063	11.9
69.77135	6.0
70.38345	1.7
71.04624	2.3
71.04986	20.9
73.02898	2.9
73.39811	1.9
74.44758	1.5
77.27718	1.4
79.05483	31.7
81.03413	54.3
81.07043	34.5
83.04982	16.0
83.08614	25.6
85.02897	32.1
85.06541	5.5
91.03949	6.7
91.04938	3.4
91.05472	45.0
93.07038	33.6
95.04960	27.2
95.08600	17.7
97.02881	9.9
97.06504	8.4
97.10150	6.5
99.04471	3.1
99.08064	2.3
105.04524	2.8
105.07024	26.4
107.04942	10.5
107.08587	17.1
107.76851	1.6
109.06504	7.5
109.10143	69.8
111.04472	2.9
111.08074	12.3
113.05972	1.8
117.07003	5.2
118.79643	1.9
119.05000	1.7
119.08568	36.9
121.06477	1.8
121.10114	13.2
123.08062	5.2
123.11639	2.3
125.09614	4.3
127.03889	2.8
129.07014	13.5
131.08557	14.6
133.06479	3.3
133.10115	17.0
135.08043	2.8
135.11659	15.4
137.09595	11.6
142.07732	2.0
145.10117	5.8
147.11679	17.0
149.09631	5.1
153.01831	3.0
155.10637	2.8
157.10091	16.0
159.11670	1.9
163.11157	5.9
165.12756	5.4
173.11784	9.3
175.11150	17.0
181.12172	3.7
193.12244	33.9
197.43275	1.5
211.13242	37.5
211.15123	2.8
215.14568	1.8
215.97472	1.7
229.14381	6.0
255.15948	10.6
267.15906	28.2
268.16241	2.3
269.17422	6.1
285.16946	23.1
287.18546	15.1
329.21225	2.1
403.24585	2.3
421.25751	32.6
439.26886	79.0
440.27182	4.5
440.85928	1.7
447.27380	48.6
448.27673	3.5
453.28564	9.6
461.28949	9.3
465.28439	74.2
466.28720	5.1
479.30252	11.9
497.23788	3.7
497.31033	68.8
498.31158	3.9
559.35883	3.0
584.55200	1.7
603.90906	1.8
609.32428	2.8
641.34631	5.8
691.08557	2.1
857.37256	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	856.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.4
65.03933	0.9
67.05499	27.4
69.03423	1.7
69.07065	6.7
70.06591	1.3
71.01351	3.1
71.04992	3.2
71.42786	0.9
73.02927	0.9
79.05487	24.8
81.03407	45.5
81.07043	14.8
81.07496	1.0
83.04972	7.0
83.08609	10.4
85.02888	3.6
85.06556	2.2
91.03952	1.7
91.05474	14.0
91.71703	0.7
93.07037	26.6
93.07597	1.7
95.04966	14.6
95.08597	6.1
97.02890	2.9
97.06532	7.7
97.10149	6.7
99.04443	0.7
99.08094	1.0
105.07022	8.0
107.04954	3.4
107.08582	19.3
108.05551	0.7
109.06521	1.8
109.10141	5.0
111.04444	0.9
111.08103	4.2
117.07032	3.4
119.08584	10.2
121.06516	1.7
121.10141	7.9
123.08086	2.2
123.11653	0.8
125.09660	1.7
125.94702	0.8
127.80857	0.9
129.07013	4.1
131.08560	5.6
133.06454	1.4
133.10121	4.7
135.08049	1.7
135.11679	32.5
137.06012	0.8
137.09604	1.9
143.08513	1.3
145.10089	6.5
146.71548	0.8
147.08055	2.0
147.11655	5.0
149.09622	3.1
153.12727	1.5
157.10074	4.6
163.11108	4.7
165.12781	1.1
175.11221	5.0
181.12259	5.4
193.12206	12.9
199.13243	1.1
211.13304	2.9
249.14815	0.9
253.14360	0.9
255.15883	53.8
256.16339	1.5
267.15897	36.9
268.16174	1.0
285.16986	1.5
355.22870	0.9
403.24503	1.3
421.25815	8.7
439.26913	1.3
447.27377	100.0
448.27780	6.0
463.07025	0.9
465.28445	5.9
479.29767	3.0
489.28281	3.1
497.31100	2.1
506.07111	0.8
555.29510	1.2
573.30408	1.5
787.21973	0.8
857.36963	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.0
64.24632	2.0
65.03947	6.3
67.05499	95.9
69.03416	10.1
69.07059	48.4
69.41723	9.6
71.04995	5.9
77.03934	3.7
79.05484	83.2
81.03419	16.3
81.07050	100.0
83.04971	18.1
83.08609	20.6
85.02894	7.2
85.06531	5.0
91.03947	3.6
91.05469	81.9
93.07029	70.4
93.07597	3.8
94.07322	2.6
95.04953	22.3
95.08598	58.4
97.02880	8.2
97.06507	18.8
97.10171	9.7
99.08090	6.4
103.05406	3.4
105.04547	4.0
105.07022	82.7
107.04939	14.1
107.08578	52.1
107.09254	3.7
109.02876	3.9
109.06522	10.6
109.10137	30.3
111.04434	3.6
111.08072	7.5
113.15862	2.1
115.05465	5.1
117.07007	28.3
119.08565	55.4
119.09414	3.3
121.06491	7.0
121.10123	25.9
123.08065	6.7
123.11683	7.2
125.09627	9.4
127.03890	3.9
128.06209	3.5
129.05481	3.2
129.06955	16.2
130.07805	2.8
130.61885	2.6
131.08546	33.6
133.10115	46.7
135.08037	9.6
135.11676	25.6
137.09583	5.0
141.07001	5.4
142.07753	3.0
143.08577	15.5
143.09589	3.7
145.04947	3.0
145.06471	3.5
145.10121	37.9
147.07993	3.9
147.11649	25.2
149.09601	13.2
149.13219	14.1
151.11169	8.6
155.08513	11.0
157.10115	19.2
159.11664	25.7
161.09602	3.4
161.13242	15.1
163.11185	11.9
169.10114	10.9
171.10266	3.6
171.11623	15.6
173.09676	3.8
173.13185	12.1
175.11191	3.2
175.14838	3.3
177.12740	6.9
181.10199	4.7
183.11771	10.1
184.07330	3.8
185.13292	9.0
187.14786	4.0
189.11258	3.6
195.11667	4.4
195.13860	5.6
197.13254	5.3
199.14813	7.3
201.16451	2.8
209.13287	5.5
211.14854	4.5
213.16411	3.5
217.15784	4.4
223.14830	5.6
225.16479	2.7
227.12744	5.4
229.19476	3.3
239.17926	4.9
241.19499	7.9
253.14378	7.6
254.14743	3.5
255.15829	8.1
257.19122	6.1
259.20532	17.1
269.17456	19.8
273.18619	3.5
275.20074	25.7
276.20282	2.7
293.04694	2.6
293.21011	3.7
333.24384	14.2
345.94778	2.3
349.23679	19.4
350.23761	3.2
365.22964	2.7
367.24548	4.5
381.78021	2.9
449.28546	3.9
463.30640	4.2
482.65195	2.9
507.54346	2.4
513.35950	14.6
515.38049	3.5
527.37360	14.7
543.36969	6.5
545.38751	2.6
561.37170	3.6
597.44714	3.2
607.43329	11.6
625.44110	8.2
659.43665	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	856.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	8.9
65.03937	8.7
67.05499	97.0
69.03425	13.1
69.07060	41.8
69.10940	7.9
71.04978	7.8
71.08638	1.8
73.02908	4.1
77.03932	4.6
79.05485	97.9
80.05825	1.8
81.03414	16.8
81.07050	100.0
83.04980	16.2
83.08614	17.8
85.02916	11.9
85.06528	4.9
86.09687	1.6
91.03944	3.9
91.05470	99.7
93.07036	87.8
95.04952	24.1
95.08598	54.9
97.02897	10.3
97.06515	13.3
97.10171	8.3
98.09690	4.0
99.04447	3.0
99.08099	4.4
103.05446	3.6
105.04490	7.7
105.07018	77.0
107.04965	7.4
107.08583	45.9
109.02840	2.9
109.06512	10.1
109.10143	23.5
111.04419	2.0
111.08041	9.3
113.09564	2.1
114.15617	1.4
115.05450	5.1
116.06200	2.0
117.06171	2.3
117.07004	38.6
117.07808	2.7
119.08568	57.2
121.06522	7.1
121.10138	30.2
123.08070	8.2
123.11711	4.2
125.09615	6.2
127.03902	5.1
128.06201	5.7
129.05484	3.1
129.06989	23.2
130.07764	5.0
131.08554	44.2
133.06473	1.9
133.10112	43.4
135.08028	7.8
135.11671	21.7
137.09596	5.0
137.13242	2.2
141.06989	8.7
142.07758	3.5
143.08536	20.4
145.04971	3.4
145.06485	2.7
145.10110	37.3
147.08002	4.5
147.10565	2.5
147.11673	32.7
149.09595	10.2
149.13234	14.3
151.11163	2.1
153.06898	1.6
153.08997	1.9
155.08553	11.5
155.10548	1.4
156.09381	1.6
157.10129	15.9
159.08064	2.4
159.11676	28.9
161.09624	2.9
161.13249	12.7
163.11157	6.6
167.08525	4.8
168.09320	1.5
169.10158	9.1
171.11673	18.2
173.11771	2.6
173.13213	14.3
175.11195	3.4
175.14835	4.8
177.12781	4.7
179.14294	2.4
181.10106	4.5
183.11662	10.6
185.13211	9.9
187.11131	2.5
187.14799	5.5
189.11186	1.7
189.12708	2.1
189.16463	1.8
193.10278	1.5
195.11678	5.1
195.13762	3.4
197.13235	7.3
199.14799	6.0
201.16310	2.6
207.11731	2.9
209.13228	4.9
211.14819	3.9
213.16443	3.4
217.15868	2.2
223.14804	3.6
225.16312	3.0
227.12669	2.1
229.14221	2.8
229.19432	2.6
231.21123	1.8
235.14613	1.9
237.16359	1.5
239.17770	2.9
241.19463	6.3
257.18964	6.2
259.17950	2.1
259.20511	15.1
261.22314	1.8
267.15802	2.4
269.17484	7.6
273.18655	2.7
275.20081	9.6
281.17502	4.1
315.23254	2.6
333.24216	12.5
335.25916	8.8
349.23721	6.6
435.32974	2.8
453.33481	1.8
475.30344	3.2
489.35477	1.6
515.38043	1.5
517.40332	3.0
527.37054	7.6
543.36847	2.0
591.44019	1.7
607.43372	3.4
609.45148	18.8
625.44086	4.0
628.12750	1.7
641.43585	4.3
778.49408	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.8
65.03942	6.2
67.05500	87.3
68.05816	2.7
69.03429	14.2
69.07064	38.1
69.13519	7.8
71.01340	1.8
71.04987	9.3
73.02920	3.3
77.03923	3.6
79.05487	82.1
80.05810	2.3
81.03422	16.7
81.07052	100.0
82.07394	4.8
83.04971	17.4
83.08611	17.7
85.02888	9.6
85.06516	3.8
91.05474	83.4
92.05830	4.4
93.07040	83.0
94.07368	2.8
95.04955	26.1
95.08601	47.2
95.09224	2.9
97.02888	7.6
97.06526	13.6
97.10162	8.3
98.23434	3.5
99.04464	3.3
99.08092	6.3
103.05464	3.2
105.04506	5.5
105.07023	71.6
106.07353	1.9
107.04945	11.5
107.07845	2.5
107.08588	48.4
108.08961	2.6
109.06512	8.0
109.10149	27.2
110.46414	1.5
111.08098	8.3
113.09641	1.5
113.25034	1.7
115.05457	5.7
117.07018	28.7
119.08577	49.6
121.06499	8.6
121.10130	30.0
123.08064	8.5
123.11696	6.5
125.09641	6.8
127.03922	2.7
128.06210	4.9
129.05501	3.8
129.06993	14.1
130.07814	1.8
131.08554	34.8
132.08865	2.6
133.06480	3.0
133.10112	44.4
134.10471	4.9
135.08055	3.7
135.11693	24.0
137.09612	6.1
139.11234	1.5
141.06972	4.7
142.07681	3.0
143.08549	13.0
145.06473	2.8
145.10123	26.4
147.08031	4.4
147.11696	25.8
149.09586	14.6
149.13260	14.8
151.07491	1.8
151.11177	7.9
154.07776	1.6
155.08531	5.2
157.10121	11.7
159.08136	2.1
159.11699	25.5
160.12148	1.7
161.09615	3.5
161.13217	10.8
163.11157	11.1
163.14824	1.9
165.09090	1.8
165.12689	2.2
167.08517	1.8
169.10120	6.7
171.11668	12.5
173.04491	2.0
173.13228	11.8
175.11145	3.3
175.14809	4.1
177.12752	6.1
179.10791	2.5
179.14268	2.1
181.10139	2.2
181.12274	2.2
182.10815	2.0
183.11662	8.0
185.13235	7.6
187.14830	4.4
189.12756	2.3
189.16283	1.9
195.11800	3.5
195.13852	8.0
197.13312	4.0
199.13133	1.8
199.14911	5.2
201.16385	2.1
202.15961	2.5
204.08421	1.7
205.12204	1.7
207.11810	3.3
207.13837	1.9
209.13416	1.9
211.14822	2.5
213.14673	1.7
213.16481	3.5
223.14951	1.8
227.12755	4.9
229.14247	2.3
229.19447	2.2
233.15340	3.1
239.17934	4.2
241.19550	7.3
245.18832	1.7
247.20615	3.4
253.14297	12.3
254.14751	5.2
255.15842	9.5
257.19070	7.7
259.20575	19.9
267.15927	3.7
269.17432	26.9
270.17746	2.8
273.18524	4.1
275.20044	23.7
276.20493	2.0
279.75299	1.5
289.21094	1.5
291.19604	5.2
293.21033	6.6
300.13547	5.6
315.23160	4.3
331.22488	2.5
333.24210	19.1
335.25766	2.3
347.22464	2.0
349.23706	15.9
350.23978	1.7
365.23242	2.9
367.24609	6.1
431.27182	1.5
435.32507	2.2
449.28937	3.4
463.30615	7.4
501.35461	2.3
513.35590	6.2
515.38177	2.0
525.35632	1.7
527.37329	17.2
543.36395	5.8
559.36139	2.8
561.37189	5.9
607.43512	5.0
623.42975	2.5
625.44287	6.4
641.43781	1.9
856.45844	2.6
857.46112	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45841	1.9
61.01360	1.8
62.13232	1.8
65.03941	5.1
67.05499	88.7
69.03422	7.4
69.07063	46.0
71.04977	7.7
75.17483	2.0
77.03919	2.4
79.05485	73.3
79.05952	4.5
81.03416	16.8
81.06564	4.9
81.07050	100.0
83.04981	15.3
83.08609	15.0
85.02895	7.4
85.06545	3.4
91.05472	68.5
93.07036	82.2
95.04967	20.6
95.08605	38.9
97.02882	7.5
97.06521	19.7
97.10175	10.1
98.23462	3.8
99.08107	5.6
103.05457	2.9
105.04510	6.4
105.07018	52.8
107.04941	11.9
107.08585	48.1
109.02891	2.3
109.06520	11.6
109.10142	17.2
111.08073	7.8
117.07018	23.8
119.08567	39.3
121.06505	9.1
121.10136	19.9
123.08035	4.7
123.11720	4.5
125.09646	8.7
127.03898	3.6
128.06268	2.0
129.06996	9.2
129.82228	2.1
131.08554	27.7
133.06526	3.6
133.10120	30.2
135.08038	6.4
135.11684	24.0
137.09596	4.8
137.71918	2.7
141.06998	5.5
143.08513	10.6
145.06543	2.9
145.10098	23.9
147.11693	21.8
149.09583	18.8
149.13232	19.0
151.11151	4.0
155.08578	4.2
157.10196	10.2
157.11275	2.2
159.08052	4.1
159.11688	20.5
161.09610	4.9
161.13261	8.4
163.11165	13.5
165.09148	3.1
165.12839	2.4
169.10112	9.2
171.11670	9.8
173.09650	2.0
173.13278	6.4
175.11198	2.6
177.12741	8.6
179.14278	4.0
180.79225	1.8
181.10262	3.3
181.12254	3.7
183.11700	7.9
184.07307	3.0
185.13258	4.9
187.11314	2.1
187.14886	1.9
189.11180	3.8
195.13808	9.4
197.13255	3.0
201.16492	2.0
209.13206	2.5
213.16391	2.8
227.12717	7.9
229.19531	2.5
239.18002	4.8
247.20590	6.3
254.18224	2.3
255.15833	18.0
257.19037	15.0
267.15964	4.1
269.17426	44.6
273.18506	2.3
275.20074	48.8
293.21146	3.7
308.55368	2.1
331.22650	4.0
336.40656	2.2
349.23697	45.5
350.24261	3.0
367.24701	6.7
393.46838	2.0
431.28381	2.4
435.27298	5.8
449.29129	21.6
451.32178	2.6
463.30496	26.6
465.66238	2.1
525.35498	4.2
529.35028	9.5
543.36853	42.7
561.37457	8.5
607.34259	2.6
623.42548	7.4
641.43811	5.6
825.23346	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.6
62.36318	1.1
65.03940	4.8
67.05499	85.7
69.03423	12.0
69.07061	35.4
69.63876	5.1
71.04990	7.4
71.05318	1.2
73.02916	1.4
74.41833	1.1
77.03947	1.8
79.05488	71.9
81.03416	17.2
81.07050	100.0
83.04975	16.8
83.08611	19.7
85.02890	6.8
85.06551	5.9
91.05475	66.1
91.06062	2.4
93.07038	76.9
95.04956	20.8
95.08597	37.0
95.09208	2.1
97.02899	5.7
97.06519	21.4
97.10159	10.6
99.04467	2.5
99.08092	2.8
103.05463	1.9
105.04515	3.6
105.07018	46.1
107.04955	12.3
107.08584	47.9
109.02867	2.4
109.06512	8.5
109.10150	17.4
111.04462	1.7
111.08052	6.7
113.09628	2.3
115.05456	2.5
117.07011	21.4
119.08571	35.6
121.06494	6.6
121.10141	25.5
123.08066	4.3
123.11717	4.6
125.09609	6.4
127.03909	2.9
128.06203	2.5
129.05453	1.8
129.06995	8.6
130.07785	1.7
131.08559	30.9
133.06502	2.6
133.10115	31.0
135.08052	6.7
135.11674	23.5
137.09619	5.1
139.07495	1.4
141.06953	3.5
143.08533	9.2
145.04991	1.5
145.06430	1.8
145.10112	23.4
147.08072	2.3
147.11664	15.7
149.09621	18.4
149.13249	17.7
151.11218	3.7
153.12759	1.5
155.08519	4.1
157.10112	9.2
159.11673	23.6
161.09604	2.4
161.13210	7.7
163.11157	12.0
163.14752	1.8
165.12711	1.7
167.08527	1.6
169.10100	5.6
171.10345	1.6
171.11588	6.4
173.04475	3.4
173.09528	2.6
173.13278	7.6
175.11218	3.0
177.12730	6.8
179.14304	2.8
181.12300	1.9
183.11705	3.5
185.13258	2.4
187.11238	1.5
187.14812	2.5
189.11180	3.4
189.12682	1.6
191.14319	1.7
193.18629	1.2
195.11659	2.1
195.13809	9.7
197.13257	2.9
201.12886	1.5
211.14986	1.6
213.14682	1.8
215.14409	1.7
217.15756	1.4
223.10658	1.2
227.12857	7.6
229.14323	1.8
229.19481	1.8
233.15341	1.5
239.17941	3.1
247.20624	3.9
251.16371	2.5
253.14256	3.0
255.15858	18.6
257.19006	11.6
267.15866	4.9
269.17438	48.6
270.17889	1.9
275.20032	47.3
276.20383	1.9
291.19574	2.3
293.17899	1.5
293.21094	4.5
313.21603	1.6
331.22684	2.7
349.23712	40.1
365.23526	1.8
367.24615	9.4
413.21808	1.7
431.27808	1.9
435.27060	2.8
445.29230	3.6
449.29001	28.4
451.32114	1.8
461.28775	1.8
463.24387	2.4
463.30566	40.9
464.30838	1.8
469.33145	2.7
503.33276	1.8
525.35278	5.3
529.35150	8.2
543.36682	38.2
544.37042	2.5
547.36011	1.7
561.37421	3.9
593.33063	1.8
607.34753	1.6
623.42194	6.0
641.43585	5.1
856.45404	2.3
857.46222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80659	3.4
67.05499	100.0
69.03403	7.5
69.07065	28.9
69.13575	7.7
69.13995	14.3
71.04979	9.3
79.05489	81.2
81.03403	7.4
81.07053	91.1
83.04968	6.7
83.08628	16.9
85.02892	3.8
85.44524	3.2
91.05470	51.8
93.07043	82.2
95.04964	14.7
95.08603	59.0
97.02894	4.5
97.06502	12.8
97.10128	5.1
98.23452	5.5
105.04505	6.1
105.07032	39.5
106.97566	3.9
107.08585	45.1
109.06490	6.5
109.10141	28.9
111.08065	6.6
111.28317	3.3
117.07018	15.6
119.08558	31.9
121.06559	5.2
121.10130	28.2
123.08046	5.4
123.11683	10.5
125.09641	4.5
129.05481	5.6
129.06992	7.3
131.08566	29.7
133.10118	23.5
135.11681	21.2
137.09567	4.1
143.08498	5.3
145.10114	14.2
147.11679	16.5
149.09616	6.7
149.13271	11.4
151.11121	6.7
157.10115	8.1
159.11685	14.9
161.09676	4.1
171.11780	4.6
173.11818	5.8
173.13162	7.1
183.11745	3.4
227.12816	4.1
229.14302	23.9
239.17963	4.5
243.21069	4.2
257.18918	6.7
261.22183	9.8
269.17484	12.7
275.20068	24.2
293.21155	4.6
335.25800	92.3
349.23505	18.6
364.91324	3.7
413.21631	7.2
489.35675	21.6
529.38879	79.0
530.39154	7.0
569.41699	29.1
609.45355	31.8
627.46124	5.2
641.47119	13.8
673.43445	6.6
838.55005	4.3
857.48810	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	857.4649
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02928	3.8
67.05497	11.4
69.03426	5.0
69.07060	5.8
73.02911	4.9
79.05486	8.1
81.03418	2.5
81.07039	8.9
82.07361	0.8
83.04982	1.7
83.08613	2.9
85.02892	4.3
91.03961	3.0
91.05464	6.5
92.05807	1.0
92.14835	0.7
93.07036	6.4
95.04973	4.0
95.08594	4.1
97.02895	5.5
97.06519	0.8
97.10172	2.1
99.04436	0.9
101.02406	1.7
105.07010	5.6
107.04932	1.1
107.08610	4.4
109.06525	1.7
109.10168	3.3
111.08073	0.9
115.05489	1.0
117.07014	1.4
119.08566	4.0
121.10150	2.2
123.08050	1.1
125.09683	2.2
131.08565	1.8
133.06541	1.2
133.10115	4.2
135.08043	1.1
135.11676	1.2
143.08562	1.6
145.10147	2.2
147.11714	1.6
149.13255	1.2
161.13342	0.9
163.11269	1.1
184.07388	1.3
185.04250	0.8
193.12236	1.1
199.14848	0.8
223.13399	1.7
231.38777	0.9
243.08447	3.8
248.26855	0.9
273.18600	1.7
275.20114	1.5
276.20740	0.8
291.19696	2.6
292.19977	1.1
301.09174	1.0
313.17587	1.3
331.18900	2.9
333.24313	1.1
335.25827	2.0
336.71783	0.9
355.13510	1.0
387.21887	1.1
424.79630	0.9
451.19626	1.5
531.25964	3.3
549.26740	13.6
570.81482	0.9
616.89044	0.8
621.29010	1.2
759.39911	2.6
839.45197	9.3
857.46423	100.0
858.46985	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	858.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	5.3
61.02906	1.3
67.05499	17.9
67.05854	1.0
67.28976	1.0
69.03417	2.0
69.07064	6.3
69.16831	4.2
71.07365	3.4
74.45107	0.9
77.03473	1.0
79.05485	14.5
81.03413	2.8
81.07048	15.3
83.04997	2.4
83.08621	3.1
85.02899	1.9
86.09699	31.1
91.05471	13.7
93.07028	14.4
94.07411	1.1
95.04973	3.6
95.08583	8.6
97.06500	1.4
97.10204	1.7
98.23389	2.4
98.98446	4.4
104.10718	3.4
105.07024	13.1
107.05014	1.7
107.08585	8.5
109.06516	2.0
109.10145	6.3
111.08092	1.1
117.06997	5.4
119.08580	11.4
121.06492	1.2
121.10146	6.0
123.11673	1.3
124.99980	22.0
125.09666	2.4
129.07028	2.3
131.08572	5.9
133.10110	7.2
135.08102	1.8
135.11684	3.8
143.08554	2.9
145.10106	6.9
147.11731	5.3
149.09601	2.1
149.13251	3.0
157.10130	2.9
159.11697	4.3
161.13237	3.4
161.85623	1.0
164.96434	1.0
169.10130	2.3
171.11700	3.4
173.11722	1.7
173.13234	3.0
184.07323	100.0
185.07645	1.0
185.13264	1.4
187.14792	1.9
189.11243	1.3
197.13289	1.7
207.11707	1.2
211.14775	1.3
229.14337	2.5
241.19502	3.5
243.08334	1.1
257.18869	1.7
259.20523	10.7
269.17407	3.8
275.17429	1.0
275.19952	6.0
293.21008	1.7
333.24142	9.8
349.23596	2.4
367.24686	4.0
378.97104	1.2
413.17676	2.7
435.32309	1.6
453.33429	1.4
509.36035	1.4
513.36102	1.8
515.37024	1.9
527.37280	9.9
545.38342	2.8
585.28650	7.9
607.43646	4.8
625.44452	7.9
703.28613	1.0
724.44861	1.3
840.52637	4.3
858.46490	7.5
859.48120	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.8
67.05502	2.6
69.03427	4.7
69.44059	2.3
70.06598	2.1
71.01357	0.8
71.04990	0.8
73.02914	4.1
79.05466	3.0
81.03410	6.3
81.07047	3.4
83.04985	2.0
83.08614	1.4
85.02897	8.2
85.06579	0.8
89.70250	0.6
91.03944	3.9
91.05479	3.3
93.07047	2.5
95.04972	2.9
95.08599	1.5
96.11423	0.5
96.38850	0.6
97.02877	7.5
98.22726	1.0
99.04485	0.9
101.02395	1.6
105.07015	2.7
107.04982	0.9
107.08617	1.7
109.02882	1.5
109.06616	0.6
109.10175	0.9
111.04453	0.7
111.08087	1.4
117.07098	0.6
119.08577	1.7
121.10153	1.0
127.03912	2.9
129.06998	1.0
131.08574	1.1
133.10147	1.1
145.10161	0.8
147.11690	1.3
153.01849	0.8
157.10141	1.6
175.11241	1.5
185.04260	1.2
193.12245	2.8
203.05374	0.8
211.13385	2.1
213.66759	0.6
243.08380	2.8
249.89908	0.6
251.12482	4.3
278.15054	0.6
285.16995	0.9
307.15167	2.2
339.18384	0.6
347.09360	2.9
358.09131	0.5
363.08871	0.7
365.10400	1.1
379.94904	0.6
405.13705	5.8
429.93515	0.5
437.03668	0.6
469.20395	17.0
470.20963	0.9
631.25568	13.5
632.26013	1.4
669.69775	0.7
697.33655	2.6
839.01556	0.7
859.39087	100.0
860.39563	8.4
892.47296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72770	0.3
61.02921	7.0
67.05501	1.8
69.03425	4.0
69.07077	0.4
69.26590	1.3
71.01356	0.7
71.04987	0.9
71.82375	0.3
73.02911	5.1
79.05482	2.2
81.03415	5.9
81.07059	2.4
83.04997	1.2
83.08611	1.5
85.02899	10.1
87.04462	0.6
91.03949	4.5
91.05461	4.4
91.05974	0.3
93.07055	1.5
95.04955	1.8
95.08604	1.4
97.02888	7.1
97.03484	0.5
97.06516	0.3
99.04476	0.8
101.02381	1.7
103.03954	0.5
105.07022	2.2
107.04964	0.7
107.08618	0.6
109.02908	1.1
109.06560	0.3
109.10156	0.5
111.08100	1.1
113.06044	0.4
115.03918	0.7
119.08556	2.0
120.63519	0.3
121.10178	0.8
127.03912	2.2
127.07651	0.3
129.07025	1.2
131.08589	1.2
133.10143	1.5
135.11673	0.3
137.95868	0.2
142.07820	0.5
145.05031	0.3
147.08109	0.4
147.11659	1.7
149.09621	0.6
157.10097	2.0
175.11165	1.3
185.04282	1.0
193.12225	2.7
203.05376	0.5
211.13226	1.7
212.13713	0.3
243.08395	3.1
251.12592	2.0
259.07928	0.6
269.12457	0.4
285.17136	0.9
307.14954	1.4
347.09470	2.8
348.10010	0.3
363.09103	0.7
365.10727	1.2
405.13641	6.5
469.20413	18.1
470.20789	0.5
498.29907	0.4
631.25635	13.4
631.36078	0.7
632.25989	0.5
688.35864	0.3
697.33740	2.7
859.39191	100.0
860.39417	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	859.4805
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02918	3.4
65.03941	0.3
67.05497	6.3
67.55046	0.2
68.05827	0.3
69.03421	2.9
69.07064	4.1
69.35570	1.4
71.04983	0.9
72.31030	0.2
73.02911	3.2
73.95161	0.3
79.05484	5.3
80.05843	0.3
81.03412	2.4
81.07052	5.8
81.07503	0.5
82.07374	0.3
83.05011	1.0
83.08602	1.6
85.02895	4.4
85.06554	0.3
86.09721	0.7
87.04471	0.6
91.03945	1.9
91.05466	4.3
91.94494	0.3
93.07037	4.8
94.07372	0.5
95.04956	2.0
95.08595	3.6
97.02887	4.4
97.06551	0.8
97.10155	1.8
99.04478	0.8
99.97894	0.3
101.02370	1.6
105.07018	2.6
107.04964	0.8
107.08583	2.6
109.02905	0.8
109.06555	1.0
109.10139	1.4
111.08102	0.5
117.07030	1.3
119.08589	2.3
121.06526	0.6
121.10164	1.1
123.08088	0.5
125.00005	0.4
125.09660	1.2
127.03891	1.3
129.05521	0.3
129.07010	0.6
131.08575	1.5
133.10114	1.6
135.08046	0.7
135.11707	0.9
143.08545	0.4
145.10156	1.1
147.11711	0.9
149.09657	0.6
149.13222	0.7
151.11325	0.4
157.10229	0.4
159.11716	0.7
161.09660	0.3
163.11218	0.6
173.11778	0.4
177.12773	0.4
184.07326	2.4
185.04221	0.5
189.11244	0.4
193.12299	0.4
203.05295	0.8
223.13397	1.0
241.06854	0.4
243.08365	4.3
243.10468	0.3
269.17624	0.5
270.17944	0.4
275.20169	0.4
276.20514	0.3
291.19629	1.1
301.08945	1.2
315.10611	0.4
331.18777	1.4
333.20422	1.6
349.23666	0.4
373.11072	0.5
389.23190	0.5
429.17459	0.3
439.19534	0.9
451.19458	0.4
453.21237	0.8
469.21005	0.4
535.28998	0.4
549.26733	4.5
551.28125	6.9
552.28613	0.4
707.39429	0.5
761.41040	0.8
773.40411	1.8
841.47009	0.7
846.45441	0.4
859.47980	100.0
860.48322	8.9
860.60724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.5
65.03951	0.6
67.05499	4.6
69.03421	2.4
69.07069	1.7
70.69525	0.6
71.01361	0.5
71.05014	0.4
72.22299	0.4
73.02923	2.7
79.05485	3.7
81.03429	1.8
81.07049	4.3
81.07427	0.4
81.27120	0.4
83.04961	0.9
83.08614	0.7
85.02882	2.3
86.09718	0.6
91.03971	1.1
91.05481	3.8
93.07038	2.9
95.04989	1.4
95.08574	2.3
97.02885	2.7
97.06511	0.9
97.10196	0.7
101.02384	1.0
105.04500	0.4
105.07040	1.9
107.04935	0.5
107.08594	2.0
109.02893	0.6
109.10181	1.2
110.79382	0.4
115.66286	0.4
117.07026	1.0
119.08571	0.8
121.10157	1.0
125.09660	0.7
127.03948	0.6
129.07016	0.7
131.08588	0.6
133.10117	1.2
135.11703	0.5
147.11710	0.7
149.13246	0.5
159.11923	0.5
175.68221	0.4
184.07251	2.2
201.57483	0.4
223.13269	0.6
243.08371	2.6
330.37885	0.5
331.18948	1.2
333.20377	1.6
405.71600	0.4
439.19427	0.8
453.04178	0.5
453.21008	0.8
540.01703	0.4
549.26746	4.9
551.28143	5.8
611.48053	0.5
761.40656	0.7
859.47955	100.0
860.48230	9.3
862.56317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4811
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02922	4.7
67.05502	7.3
69.03423	3.1
69.07079	3.1
69.30973	3.6
73.02916	2.6
77.09130	0.6
79.05489	5.1
81.03419	2.1
81.07054	7.1
83.04983	1.7
83.08640	1.2
85.02896	3.6
90.48849	0.6
91.03967	2.1
91.05473	5.3
93.07054	3.8
95.04976	2.7
95.08630	2.9
96.08906	0.7
97.02907	2.9
98.22699	1.3
99.04440	0.7
101.02391	1.0
102.37502	0.6
105.04487	0.8
105.07021	3.9
107.04951	1.5
107.08613	2.5
109.02894	0.8
109.06516	1.6
109.10153	1.6
117.07055	1.3
119.08605	2.6
121.10133	1.5
123.08031	0.7
126.10104	0.6
127.03888	1.1
128.06277	0.6
133.10156	3.0
135.11671	0.7
145.10173	1.2
147.11723	2.0
151.11223	0.8
159.11606	0.8
180.79213	0.6
184.07343	0.9
185.04356	0.8
193.12312	0.8
195.13878	0.7
211.14961	0.7
236.59978	0.7
243.08424	2.6
276.85144	0.7
316.88989	0.6
321.10849	0.7
331.18903	1.4
333.20428	1.9
351.76907	0.6
396.04251	0.7
439.19565	1.3
451.19473	1.2
453.21594	0.7
481.19998	0.8
531.26093	1.5
549.26917	2.8
551.28168	8.5
623.30701	1.2
629.84119	0.8
761.40546	2.2
773.40771	1.4
841.46875	8.9
859.47949	100.0
860.48175	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	859.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.3
61.43563	0.3
63.28365	0.3
65.03922	0.4
67.05502	4.6
69.03425	3.3
69.07068	2.4
70.66442	0.3
71.05000	1.1
73.02901	2.5
79.05488	3.6
81.03415	1.8
81.07051	6.0
83.04979	1.5
83.08619	0.7
85.02903	3.9
85.06510	0.4
86.09683	0.4
87.88332	0.3
91.03947	2.4
91.05470	5.0
92.05832	0.4
93.07031	4.0
95.04969	1.9
95.08598	3.7
97.02873	3.5
97.06544	0.9
97.10175	0.4
99.04436	0.8
101.02382	1.3
101.91687	0.3
105.04534	0.6
105.07033	3.1
106.07359	0.4
107.04958	0.7
107.08576	2.3
109.02882	0.5
109.06541	1.4
109.10143	1.7
111.08070	0.4
113.89879	0.3
117.07016	1.1
119.08559	2.2
121.10160	0.9
123.08100	0.7
127.03908	1.1
129.05473	0.4
129.07027	0.6
131.08582	1.4
133.06532	0.4
133.10077	2.5
135.11665	0.7
137.09668	0.4
143.08534	0.5
145.05020	0.3
145.10159	1.1
147.11690	0.8
149.09593	0.5
149.13347	0.4
151.11203	0.6
161.09645	0.7
184.07388	1.3
185.04308	0.9
193.12341	1.1
195.13899	0.4
241.06818	0.4
243.08400	2.8
262.96414	0.3
274.21198	0.3
291.19125	0.4
301.09122	0.5
301.17776	0.4
313.17795	0.7
315.10522	0.5
331.18741	1.7
333.20337	1.9
357.15451	0.4
371.16751	0.5
373.11432	0.4
439.19757	0.5
451.19363	0.9
453.20886	0.4
469.20145	0.5
531.25977	1.4
533.26862	0.5
549.26703	3.6
551.28162	6.3
623.30652	1.0
761.40521	2.2
773.41046	0.5
839.93726	0.5
841.47058	8.3
842.47003	0.8
859.47980	100.0
860.48346	10.0
860.61169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27795	2.2
69.28184	4.7
98.23127	6.4
133.75786	1.5
137.05988	2.7
138.53024	1.5
149.10141	1.4
151.07651	1.6
167.07082	2.1
175.03648	96.2
184.58627	1.8
202.11252	1.5
203.03088	3.0
219.06300	1.4
293.50250	1.5
379.03528	1.7
421.89172	1.5
439.13831	9.8
448.94748	1.5
453.15271	10.7
467.16861	3.3
483.16260	6.4
531.25537	1.9
605.19373	2.1
626.38403	2.1
636.21539	10.6
637.22833	8.0
831.27734	3.6
861.28967	100.0
862.29248	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	861.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20667	1.3
95.56107	1.2
98.22711	3.6
103.67928	1.4
137.05989	4.5
140.85522	1.5
167.07127	1.9
169.06302	1.8
175.03651	79.9
203.03175	1.6
204.04028	1.8
205.04720	5.4
283.27066	1.6
321.89676	1.4
355.11908	1.7
360.57703	1.6
439.13675	8.5
453.15045	10.1
467.17120	2.4
483.16153	5.5
512.65570	1.7
551.24646	1.6
605.20898	2.0
636.21619	12.4
637.22351	8.3
664.22095	1.9
831.27020	2.0
861.29065	100.0
862.29602	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	861.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83210	1.6
64.80675	1.5
66.92245	1.6
68.42176	1.8
70.46008	1.7
89.03911	13.0
91.05468	4.1
94.04156	1.6
103.05464	3.1
105.07016	4.1
107.04936	1.9
109.35589	1.5
115.05427	2.9
117.03361	29.3
117.06985	2.2
119.04949	2.9
122.03776	1.5
131.04922	3.1
133.06458	2.7
134.03639	3.5
134.44400	1.5
135.04379	2.9
137.05960	32.9
145.02827	62.7
149.05927	9.5
151.03897	19.8
151.05032	2.8
151.07507	3.8
158.24402	1.7
161.05969	6.1
163.07506	2.1
168.21114	1.7
175.07516	5.6
177.05457	100.0
177.08957	2.9
186.03047	1.8
189.05417	3.6
189.09129	3.0
201.05440	10.0
203.06989	4.4
205.06529	3.1
211.07539	1.9
219.10115	5.1
221.05885	2.7
222.06610	1.8
231.06427	1.7
233.06024	3.7
235.07443	2.4
236.39055	1.6
237.09097	2.5
240.07637	1.6
249.09264	2.6
250.06207	3.7
251.06870	2.3
259.09738	1.7
264.07635	1.7
265.08511	6.9
268.06992	2.1
269.08102	2.2
274.06247	4.9
277.04904	1.8
277.08588	5.2
278.05722	2.6
283.09686	4.2
284.10370	3.3
286.06177	5.3
289.08447	3.5
291.06992	2.1
292.07245	5.5
293.08017	6.9
293.11472	2.3
295.09622	2.5
297.11166	5.8
301.08472	9.0
302.05661	7.1
303.06448	2.1
303.09863	2.0
305.08105	2.4
307.09482	11.5
309.11200	2.7
311.09036	4.0
317.08054	10.7
318.08795	2.0
320.06839	1.9
321.11249	2.2
323.09326	4.0
325.10703	18.2
327.12152	2.0
333.11237	9.8
334.08221	2.6
335.09070	10.7
337.10654	3.2
343.15381	3.3
345.07593	2.2
349.10828	8.2
353.10223	2.0
377.10193	46.2
431.14987	3.5
441.13074	2.6
459.14432	7.4
473.16260	2.5
483.14032	3.5
501.15256	18.3
525.18951	2.3
543.19824	7.1
667.26068	1.9
737.25879	4.5
775.62042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71042	0.4
63.02363	1.1
65.03914	0.5
66.55704	0.3
67.05495	0.4
68.99891	0.4
70.50192	0.7
73.33807	0.4
77.03918	1.0
78.04688	0.8
79.05484	0.9
89.03905	14.3
91.05466	5.2
93.07052	0.6
94.04179	1.0
95.04968	2.1
98.23267	0.5
103.05460	8.3
105.03365	1.4
105.07000	2.7
106.04177	0.6
107.04951	2.4
109.06523	0.5
115.05415	2.1
117.03368	32.2
117.07026	0.9
119.04932	3.8
121.06494	1.4
122.03622	1.4
126.07564	0.4
130.04160	0.6
131.04919	13.7
132.05714	0.5
133.02835	19.6
133.06468	2.3
134.03612	2.8
135.04398	3.1
137.05963	16.0
141.03360	1.0
141.06969	0.5
143.04936	0.6
145.02831	64.8
146.03467	0.9
147.04413	3.0
149.05962	14.7
150.06726	2.8
151.03903	2.4
151.04976	0.6
151.07495	0.9
157.04033	0.9
158.03551	0.5
158.06021	0.4
160.05168	1.1
161.05968	6.5
162.06740	0.5
163.03851	1.0
163.07541	4.5
165.05487	1.9
165.06886	0.7
165.09122	0.5
173.05908	0.9
175.03882	6.2
175.07553	3.9
176.04329	0.4
177.05452	100.0
178.05753	1.4
181.06477	0.4
186.05482	2.0
187.07532	1.0
189.05447	1.1
189.07016	0.8
190.07747	0.5
191.07005	1.7
191.08562	0.7
193.06517	0.5
194.07281	2.1
199.07643	0.4
201.05351	16.5
201.09174	1.1
203.06931	0.5
205.06500	2.8
206.07201	0.5
207.08093	0.8
211.07500	0.6
218.07201	0.9
219.08073	1.1
219.10143	1.5
221.05988	1.3
222.06772	2.7
224.08362	0.6
227.07098	0.5
229.04834	0.8
233.06018	2.9
233.09613	0.6
234.06744	1.9
235.07545	1.2
237.05402	0.8
237.09091	4.4
239.06960	0.7
240.07788	1.0
247.07639	1.1
249.05469	1.4
249.09070	1.0
250.06236	3.5
250.09964	0.5
251.07007	1.5
252.07829	0.5
253.08670	0.7
261.05453	1.3
261.09030	1.1
262.06320	0.9
263.06931	1.3
264.07764	1.4
265.05545	0.8
265.08594	9.4
266.09232	1.0
267.06537	0.9
268.07297	1.9
269.07880	0.8
271.05850	0.5
271.09610	2.7
275.06995	0.7
277.05145	0.7
277.08539	2.0
278.05792	0.9
278.09341	0.6
279.06616	0.8
279.10187	1.2
280.07272	0.7
281.07907	0.5
282.08716	1.1
283.09592	4.8
291.06491	1.6
291.09790	0.6
292.07269	2.5
293.04739	0.5
293.08112	6.3
293.11490	1.2
294.08557	0.7
295.09396	1.2
297.11176	5.1
307.09692	2.6
308.06693	1.7
308.10101	0.5
309.11224	2.9
310.11847	0.8
311.09152	1.3
311.12741	0.9
315.12143	0.5
323.09073	5.5
323.12589	0.8
325.10669	17.7
325.14175	1.5
335.09100	1.1
337.10629	1.6
341.13785	0.7
343.15335	1.5
347.09146	0.5
349.10651	0.8
351.12140	0.6
355.11963	0.7
371.20428	0.5
377.10083	1.3
379.11667	0.6
395.15125	0.9
459.14450	1.0
501.15231	1.3
596.34589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.5
67.05508	1.6
67.85571	0.4
69.03425	1.3
69.07089	0.8
72.05107	0.4
73.02930	1.5
79.05501	2.1
79.12981	0.5
81.03456	0.5
81.07043	2.2
83.04985	0.8
83.08643	0.9
85.02911	1.1
91.03971	1.0
91.05476	1.1
93.07043	1.8
95.04963	0.7
95.08643	0.9
97.02892	1.3
98.23560	0.8
101.02411	0.6
105.07053	0.9
127.03931	0.5
145.10095	0.6
147.11693	0.7
160.99458	0.4
169.18150	0.5
176.40392	0.5
184.07384	1.9
243.08527	1.1
249.11382	0.5
288.37830	0.4
333.20438	0.9
465.20917	3.5
514.80646	0.5
551.28009	2.6
763.41150	0.8
775.42297	18.6
776.42584	1.5
815.45764	0.7
843.48413	2.8
861.47687	100.0
862.48090	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	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.7
67.05495	3.2
69.03416	4.0
71.43049	2.0
73.02922	2.6
74.17654	1.9
79.05499	3.9
81.07055	7.4
85.02898	5.4
91.05473	2.9
93.07033	4.6
95.04990	2.3
97.02901	3.0
110.76026	1.8
184.07283	2.2
216.68489	2.1
243.08302	2.3
333.20486	3.2
376.09735	1.9
398.60635	2.2
453.20886	2.3
551.28314	13.0
801.85571	2.3
861.49524	100.0
862.49341	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	861.496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.8
65.03949	1.2
67.05496	7.8
69.03432	3.7
69.07064	3.5
71.04984	1.4
73.02920	3.0
79.05479	5.2
81.03413	2.9
81.07045	8.7
83.04981	1.3
83.08648	1.3
85.02889	5.6
91.03950	1.5
91.05458	6.5
93.07044	4.7
95.04967	2.1
95.08620	2.9
97.02897	4.1
98.23081	6.4
101.02399	1.9
105.07025	3.5
105.56028	1.0
106.34491	1.2
107.08609	2.8
109.02883	1.2
114.67593	1.0
116.22719	1.2
119.08588	3.6
121.10170	1.9
123.08086	1.6
127.03905	1.6
131.08575	1.2
133.10187	1.4
135.11717	2.3
135.80508	1.2
145.10075	1.4
147.11737	1.0
149.13277	1.1
159.11765	1.7
184.07347	2.0
243.08403	5.8
246.58531	1.3
259.23221	1.1
325.81989	1.1
333.20374	5.7
389.23111	2.1
439.19360	2.8
449.61359	1.2
453.21283	2.2
469.20453	2.0
551.28180	17.3
861.49487	100.0
862.49323	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	861.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	1.3
61.02923	7.2
67.05493	8.1
69.03430	4.2
69.07068	3.5
69.08141	8.9
71.04984	2.1
73.02927	5.5
77.80568	1.2
79.05477	9.0
79.42695	1.3
81.03437	1.6
81.07058	9.1
83.04976	2.4
85.02897	7.1
85.06511	1.5
86.09699	7.6
87.04492	1.2
91.03963	5.4
91.05489	6.7
93.07037	11.4
95.04977	3.3
95.08626	4.3
97.02873	7.5
99.04451	1.4
101.02373	2.1
105.07015	5.8
107.08631	4.5
109.02863	1.7
113.05968	1.2
119.08598	5.1
125.00034	5.6
127.03928	1.8
129.06990	1.4
131.08575	2.3
133.10164	1.7
147.11710	3.2
161.09616	1.7
161.13359	1.2
184.07323	25.2
184.08826	1.7
185.04205	2.5
185.07713	2.4
210.38225	1.3
231.83138	1.3
243.08508	4.7
247.13089	1.4
255.68616	1.3
301.09085	3.1
311.03326	1.3
333.20566	5.4
373.11261	1.2
429.17453	1.5
465.21005	13.1
525.23083	1.7
533.27209	1.6
535.28851	3.7
551.28326	16.0
554.69922	1.3
623.30914	1.4
745.42438	1.9
763.42657	5.2
763.93622	1.3
775.42249	95.1
776.42560	6.0
785.44342	4.9
815.45868	2.5
843.48529	12.7
843.79358	1.6
861.48956	100.0
862.49414	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	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02782	3.0
61.03120	1.5
62.58580	0.6
67.05352	3.6
67.05754	1.8
69.03278	2.1
69.06946	1.3
69.07285	0.9
69.67022	2.8
73.02750	3.1
73.03188	1.7
79.05312	4.9
79.05817	1.4
81.03276	1.6
81.06882	4.9
81.07394	1.2
83.04845	0.9
83.93285	0.8
85.02724	5.0
85.03286	1.7
91.03764	2.9
91.05299	4.2
91.05909	1.3
93.06847	5.0
95.04823	1.6
95.05341	0.9
95.08416	2.8
97.02689	3.7
97.06374	1.4
99.04315	0.9
101.02215	1.5
105.06824	2.6
107.08389	2.2
109.09949	0.9
109.66122	0.7
117.06832	1.2
119.08355	2.2
121.09973	1.5
121.53606	0.7
122.96597	0.7
127.03771	1.4
129.06853	0.9
131.08362	1.1
133.09874	2.6
135.11505	1.8
143.09335	0.7
145.09898	0.8
147.11450	2.1
156.24922	0.6
159.11525	1.2
160.66353	0.8
161.13049	0.9
163.11043	1.0
171.11487	1.0
179.28549	0.8
184.07254	3.9
185.04004	1.1
221.11313	0.9
243.08411	3.9
247.12787	1.3
301.08588	0.9
328.65924	0.9
329.11444	0.9
333.20047	2.1
389.22818	1.2
418.33295	0.8
439.19327	4.3
453.20743	3.2
465.20837	9.8
521.68903	0.7
533.27167	1.2
535.28448	2.8
551.20062	0.9
551.28235	14.0
552.28333	0.9
607.30756	0.9
611.30444	0.8
613.36987	0.9
641.35950	1.2
663.33386	1.2
673.11475	0.8
699.45184	1.0
705.34540	2.6
733.28491	0.6
733.41205	12.2
734.40503	0.9
745.41174	2.7
763.41388	4.1
775.42279	100.0
776.42615	8.2
843.48334	15.8
844.48590	1.8
861.49023	73.8
862.49756	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	861.5
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.6
67.05489	6.7
69.03426	3.6
69.07070	4.0
69.60188	3.1
72.12144	0.7
73.02901	4.2
79.05487	7.5
81.03420	2.5
81.07056	5.0
83.04975	1.2
83.08636	2.1
85.02892	7.0
86.09723	1.1
91.03963	2.6
91.05463	6.3
93.07040	6.5
95.04980	2.2
95.08613	2.5
97.02870	4.9
97.06543	1.0
97.10192	1.0
101.02394	2.1
105.07005	4.1
107.08607	2.1
109.02922	1.1
109.06544	1.1
109.10161	1.6
117.06979	0.8
119.08614	3.2
121.10147	1.7
127.03929	2.9
129.05486	0.9
129.07033	0.9
131.08583	1.0
133.10136	1.3
133.64934	0.6
135.11732	0.8
143.08586	1.1
145.10072	1.6
147.11737	2.1
162.21906	0.7
171.11726	1.9
184.07361	1.5
185.04303	2.5
201.03732	1.5
223.13448	0.7
243.08409	5.2
247.13159	1.4
297.21530	0.8
301.08908	3.6
315.10614	1.6
333.20432	3.5
347.72946	0.8
371.16409	0.9
373.11182	1.1
373.23224	1.1
385.18451	3.1
413.87277	0.7
429.17462	1.0
453.20999	1.3
465.20959	11.7
469.20197	0.9
525.23334	3.4
533.27277	1.3
535.28674	4.2
537.21997	0.8
541.22186	0.8
551.28192	10.7
557.82294	0.8
594.30005	0.8
607.30902	1.5
623.30243	1.2
641.36310	0.8
665.35358	1.0
677.37384	1.7
695.39618	2.4
705.35211	2.2
707.39569	1.8
723.37042	1.2
745.41351	1.5
763.41803	3.0
773.42889	0.8
775.42279	85.5
776.42377	6.2
815.45386	2.3
843.48224	12.3
844.49286	0.9
861.48657	100.0
862.48859	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	861.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	6.9
67.05504	8.4
68.05779	1.2
69.03421	4.5
69.07048	4.7
71.08302	1.2
73.02906	5.1
79.05493	8.5
79.05867	1.6
80.59148	1.2
81.03415	4.4
81.07061	6.5
83.08614	2.7
85.02879	6.4
87.04478	1.4
91.03932	3.6
91.05486	8.3
93.07029	10.4
95.04961	3.4
95.08574	4.4
96.47655	1.3
97.02905	6.3
99.04458	1.3
101.02380	3.5
105.07028	5.7
107.08565	4.1
109.02865	1.6
109.06493	1.7
110.56635	1.2
117.06983	1.3
119.08557	3.2
121.10118	2.0
127.03869	3.2
129.05519	1.3
129.07014	2.4
133.10143	2.1
145.39655	1.3
147.11690	2.9
171.11690	1.8
184.07381	2.4
185.04178	2.4
243.08345	4.9
247.13110	4.7
301.09048	1.6
303.15549	2.6
321.16617	1.6
390.16702	1.4
453.20795	2.2
465.20953	33.7
466.21191	2.4
527.29553	2.9
533.26819	3.8
537.22766	2.4
551.28345	3.5
659.34094	2.5
663.33392	2.4
677.35065	9.3
689.34961	79.4
690.35095	4.8
705.33820	4.7
745.40179	2.2
757.29706	1.5
757.41370	22.8
758.40588	2.0
763.41101	2.9
764.76038	1.4
769.67084	1.5
775.41339	100.0
776.41302	10.7
843.46448	3.2
861.48370	33.0
862.48590	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	861.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.0
63.28185	0.8
66.61533	0.7
67.05497	5.4
69.03430	3.5
69.07076	2.3
71.01366	0.8
71.04988	1.4
73.02908	4.8
79.05495	3.7
81.03423	1.9
81.07055	4.8
83.08633	1.0
85.02886	4.6
91.03957	3.5
91.05494	2.9
93.07047	3.6
95.05004	1.0
95.08574	4.6
97.02893	5.2
97.06524	0.9
97.10193	1.2
99.72839	0.7
101.02431	2.1
105.07043	1.6
107.08612	2.1
109.02895	1.0
109.10156	1.8
119.08579	1.2
121.10172	1.8
125.09624	1.1
127.03937	1.6
131.08580	0.7
133.10164	1.4
135.11707	1.0
151.04370	0.7
173.13313	0.8
184.07419	1.3
185.04338	1.3
198.63617	0.7
216.01541	0.8
243.08533	2.2
271.76633	0.8
344.94943	0.7
352.93484	0.8
365.22989	3.7
519.29291	5.5
583.30817	5.7
775.42572	2.0
818.34131	1.0
843.48462	1.2
861.53204	100.0
862.53522	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	861.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.3
67.05497	6.3
69.03433	2.5
69.07066	2.3
71.04992	2.1
71.73353	1.1
73.02928	3.8
79.05511	4.4
81.03434	2.0
81.07053	7.3
85.02908	5.3
91.03959	4.2
91.05500	2.7
93.07028	4.9
95.08611	3.8
97.02923	3.1
97.10150	1.6
101.02385	2.5
107.08619	2.1
109.02884	1.1
109.10186	1.5
115.03925	1.1
119.08611	1.2
126.24493	0.9
127.03897	1.5
131.08612	1.5
144.64014	1.1
192.10802	1.0
243.08513	1.6
365.22928	5.0
519.29144	6.0
583.30847	3.1
717.41907	1.2
770.05536	1.1
775.42352	2.5
843.47870	1.7
861.53131	100.0
862.53497	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	863.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64159	0.4
74.92760	0.4
80.60709	0.4
137.05975	0.9
147.45958	0.5
151.03867	0.6
167.07036	0.6
175.03641	19.7
176.04245	0.6
204.04024	1.0
205.04694	31.9
206.05075	1.2
218.05504	2.4
223.05855	0.5
232.07170	1.9
243.69574	0.5
249.07304	0.8
317.20496	0.6
409.12640	0.6
415.13620	1.5
429.15244	2.0
438.12686	0.8
439.13785	2.0
440.14529	1.2
453.15073	2.8
455.16855	0.6
459.16281	0.8
637.22559	0.5
647.97906	0.5
653.17609	0.6
666.22845	0.9
863.30756	100.0
864.31201	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	863.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06560	0.4
71.43163	0.4
81.03410	0.3
81.60242	0.3
122.32645	0.3
133.06575	0.4
137.05968	0.9
141.71858	0.3
167.07101	0.4
175.03638	20.1
176.04385	0.7
181.05038	0.3
189.05211	0.3
203.03235	0.5
204.03973	1.2
205.04691	29.8
209.29877	0.4
217.30540	0.3
218.05501	0.5
219.06274	0.3
232.07104	0.4
246.07651	0.3
275.96402	0.3
315.27612	0.3
410.13809	0.4
421.12680	0.5
425.15881	1.0
438.13095	0.6
439.13498	1.9
440.14108	1.6
453.15033	2.7
455.17007	1.1
621.19403	0.5
635.21167	0.5
637.22046	0.5
638.23279	2.1
639.23999	0.4
649.21228	0.5
666.22992	0.9
667.24512	0.5
803.26038	0.5
863.30792	100.0
864.31018	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	863.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.3
67.05502	5.4
69.03423	2.6
69.07063	2.8
69.31255	1.8
71.01348	0.6
71.04988	0.4
73.02911	2.2
79.05494	4.8
81.03420	1.5
81.07053	4.1
83.04982	0.5
83.08629	1.1
85.02911	3.6
91.03935	2.5
91.05476	3.8
91.54500	0.4
93.07034	4.5
93.07507	0.4
95.04965	0.9
95.08627	1.7
97.02885	3.1
97.10200	0.9
99.04452	0.8
101.02403	1.3
105.07034	3.1
107.04952	0.5
107.08596	2.2
107.60118	0.4
109.02898	0.9
109.10155	2.5
115.03929	0.6
117.07031	0.9
119.08620	2.2
121.10152	1.6
127.03941	1.4
129.05536	0.7
129.07059	0.6
131.08580	1.9
133.10156	1.6
135.11691	0.7
145.10165	0.8
147.11766	0.9
149.13266	0.4
159.11746	0.4
161.13364	0.6
169.15695	0.4
171.11725	0.4
173.11842	0.7
173.13266	0.4
175.35034	0.4
184.07422	0.9
185.04231	1.0
203.05309	0.6
243.08394	3.1
256.89404	0.4
272.32947	0.5
301.08984	0.8
315.10526	0.7
316.71802	0.4
351.21399	2.7
385.18469	0.6
387.12491	0.5
407.23837	0.6
465.21576	0.4
499.21472	0.5
535.28741	5.8
536.29297	0.4
569.29315	8.9
607.29950	0.4
641.31238	1.0
863.51190	100.0
864.51398	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	864.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.3
68.99758	0.2
69.03420	1.6
69.40770	0.5
73.02900	0.3
78.04717	1.0
79.05472	0.8
81.03406	2.0
81.07053	0.3
85.02895	4.1
87.00828	1.5
87.01331	0.2
91.05473	0.5
93.07022	0.3
95.04937	0.6
97.02875	1.9
99.04446	0.6
103.03944	0.1
103.05463	0.5
105.01861	0.8
105.04494	0.2
105.07017	1.9
106.04160	0.7
107.04953	1.4
108.04505	0.1
109.02860	1.9
109.06496	0.1
111.04408	0.3
115.05415	1.1
117.01850	0.2
117.07012	0.4
119.08575	0.2
121.06501	0.6
122.03628	0.4
123.04414	2.6
124.04549	0.1
124.05217	1.3
127.03893	2.0
129.01797	0.2
129.06972	0.2
131.04903	0.2
132.05641	0.2
133.06474	1.7
134.03616	0.3
135.08067	0.2
137.05957	2.2
138.06201	0.1
141.06911	0.2
143.04915	0.1
143.06030	0.2
144.05701	0.2
145.04929	0.6
145.06462	1.0
147.08029	0.4
149.05922	0.7
151.03883	0.7
151.07515	0.3
152.04669	1.0
155.05957	0.3
155.07066	0.2
157.06470	0.3
159.02884	0.6
159.08023	0.2
160.05157	0.1
161.05960	2.4
163.07538	0.7
165.09114	0.2
166.06236	0.2
167.07013	100.0
168.07359	2.0
171.02975	0.1
173.05986	1.7
175.07498	2.2
177.05475	0.3
179.07027	0.3
181.08568	1.7
187.07506	0.9
189.09097	0.4
190.06270	0.7
191.06975	0.4
193.08575	13.2
194.08897	0.3
195.10162	0.5
199.07521	0.3
202.06010	0.2
203.07021	0.3
205.08611	2.4
205.12259	0.2
207.10139	0.8
209.07953	0.3
211.09622	14.6
212.09903	0.3
213.09108	0.1
217.08611	1.2
219.10078	0.2
221.08060	0.4
223.09647	0.6
231.04929	0.4
231.10197	0.3
233.07948	0.3
235.09596	2.1
239.06941	0.2
239.09164	0.4
241.08577	0.2
247.09663	0.4
251.09094	0.6
253.10591	0.7
259.09586	0.5
265.10690	0.7
271.09647	0.2
273.11194	0.2
275.08994	0.2
277.10651	0.2
278.09033	0.2
295.11768	0.3
300.09973	0.2
301.10706	1.6
319.11716	2.3
319.52094	0.1
321.11292	0.2
324.40192	0.1
337.12784	0.4
341.13614	0.3
353.13727	0.5
371.14844	1.5
387.14340	0.3
405.11536	0.4
423.12625	0.4
434.13409	0.1
441.13980	0.3
521.99567	0.2
657.01147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.8
67.05495	16.6
69.07053	6.9
71.08624	8.1
73.33277	1.4
79.05086	1.2
79.05483	7.1
80.49998	1.3
81.07044	19.5
83.04975	1.5
83.08614	6.1
84.70345	1.2
85.02390	1.0
85.02896	4.2
85.10160	3.1
91.03962	1.6
91.05476	4.2
93.07031	12.5
95.08616	10.6
96.80807	1.2
97.02907	1.5
97.06517	2.9
107.08559	5.7
109.10175	3.3
111.08057	1.9
117.06982	1.5
121.10129	4.4
131.08557	2.7
133.10133	1.4
135.11653	1.8
144.54776	1.3
147.01566	1.2
149.13245	9.2
150.78545	1.1
159.11725	3.0
163.05989	1.9
195.13887	4.2
250.07487	1.1
269.17444	83.9
270.17740	2.5
277.38535	1.3
313.27328	38.9
314.27588	2.0
376.02695	1.2
507.40402	100.0
508.40732	5.3
525.79028	1.3
579.44263	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	12.0
65.03934	2.4
67.05500	31.5
69.03410	6.2
69.07068	7.8
69.68473	4.2
71.01339	1.4
71.04974	4.9
73.02905	6.7
75.23605	1.3
77.03932	1.2
77.68597	1.1
79.05486	34.0
81.03409	32.2
81.07049	24.1
82.04186	3.3
83.01351	7.4
83.04967	16.7
83.08609	18.1
84.33133	1.0
85.02898	19.9
85.06528	2.6
91.03943	8.9
91.04876	1.2
91.05466	24.2
93.07039	30.6
95.04961	20.8
95.08593	12.1
96.04433	1.2
97.02890	12.6
97.06548	9.5
97.10158	11.9
98.07301	4.9
99.04438	4.7
99.08051	1.9
103.05481	1.3
105.04521	1.3
105.07030	16.3
107.04941	11.6
107.08591	19.1
109.02863	1.4
109.06504	9.4
109.10138	8.2
111.04417	3.4
111.08066	4.8
116.04695	9.8
117.07018	7.9
119.08579	16.7
121.06504	4.7
121.10130	10.6
123.08057	11.7
125.05970	2.2
125.09610	12.9
127.03916	3.8
128.06194	1.3
129.05464	26.9
129.06999	4.5
130.07782	1.8
131.08560	7.3
133.10124	7.1
135.08041	3.6
135.11673	15.0
137.05948	1.9
137.09560	3.7
139.07491	1.2
142.07758	1.3
143.07013	5.3
143.08461	1.5
145.04951	3.2
145.06468	2.2
145.10112	16.8
146.07272	1.4
147.08035	3.0
147.11661	6.5
149.09610	1.9
151.11150	1.6
151.89394	1.1
153.09106	2.2
153.12730	4.6
157.08603	9.8
157.09990	2.2
158.05733	1.7
161.09608	1.9
163.06012	4.1
163.11168	30.4
168.32585	1.3
171.06528	1.7
171.10181	3.8
171.11604	1.8
173.09596	5.4
173.11728	2.8
175.11154	3.9
181.12201	4.2
185.11696	1.4
189.11252	6.6
190.09767	1.6
191.10623	5.9
193.12236	4.9
199.13301	4.3
200.13988	2.1
207.13857	1.8
209.11725	11.0
210.12476	1.8
211.13292	3.2
220.43527	1.2
220.89204	1.2
227.12753	16.8
228.13174	1.2
229.14345	2.0
255.15903	1.6
265.14108	2.1
267.15897	10.9
281.17526	5.1
283.15369	87.4
284.15842	4.5
285.17023	2.5
301.16443	71.5
302.16849	1.7
311.03564	1.2
337.16351	4.5
365.19885	1.4
379.21127	2.1
383.22247	2.0
407.24075	1.3
425.25266	1.9
436.24796	2.4
437.25198	11.7
457.26126	2.7
459.27042	2.3
473.28903	14.6
474.26349	2.0
475.26913	10.5
477.28415	1.7
491.26334	5.4
492.27155	8.6
493.27774	1.9
509.27377	100.0
510.27576	5.0
527.28955	1.4
715.50769	1.3
738.82642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.7
65.03947	0.8
67.05502	12.6
69.03418	3.9
69.07069	3.2
71.04987	1.7
73.02914	1.3
79.05486	12.9
81.03413	32.6
81.07055	17.5
83.04980	6.5
83.08618	16.1
85.02900	15.0
85.06556	0.9
87.04466	0.7
91.03938	3.7
91.05478	24.2
93.07041	13.1
95.04967	13.0
95.08604	5.1
97.02883	7.1
97.06511	4.1
97.10175	2.5
98.23457	2.0
99.00816	10.8
99.04459	1.1
99.08085	1.3
103.05482	0.8
105.07023	16.7
107.04961	7.2
107.08579	6.0
109.02885	6.3
109.06516	2.7
109.10120	3.5
111.04446	2.4
111.08080	6.7
113.05988	1.4
115.03934	2.0
115.05482	0.9
117.07020	2.4
119.04952	0.6
119.08575	13.1
121.06515	4.9
121.10146	4.8
123.04406	0.6
123.08070	1.5
123.11715	1.8
125.09637	1.3
127.03915	2.3
129.06993	5.8
131.08565	6.7
133.06479	2.8
133.10121	26.1
134.10356	0.6
135.08034	1.4
137.05984	1.5
137.09621	2.0
139.07541	2.0
142.07816	1.3
143.08606	2.3
145.04976	1.8
145.06584	0.8
145.10129	1.9
147.08060	2.5
147.11679	7.8
149.09642	3.2
151.11185	6.7
157.10117	7.4
161.09607	12.2
161.10835	1.1
162.09973	0.7
163.06000	1.2
163.11191	1.4
165.12775	1.5
171.08029	2.3
175.11163	6.3
179.10663	6.6
179.13393	0.7
182.36806	0.6
189.09108	5.8
193.12234	21.2
197.11818	2.0
207.10233	1.9
211.13289	29.4
212.13547	0.8
225.11168	6.2
227.12706	0.9
229.14349	0.8
232.23889	0.6
243.12283	1.3
249.14897	0.7
267.15909	13.6
281.13812	3.7
283.15442	1.2
285.13733	1.4
285.16934	28.1
286.17468	0.6
299.14880	47.9
300.15192	0.8
445.25620	1.5
456.37778	0.6
463.27103	1.2
473.25165	3.5
491.26389	16.2
492.26834	0.7
509.27444	100.0
510.27802	4.1
677.10516	0.6
743.31573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.0
62.35972	0.8
67.05504	2.7
69.07098	1.1
77.41151	0.8
79.05479	1.6
80.73494	0.8
81.03419	4.6
81.07071	2.2
83.04996	1.1
83.08659	1.3
85.02900	2.2
89.88815	0.8
91.05482	2.6
93.07056	2.9
95.04987	2.2
95.08585	1.2
97.02908	1.4
98.22675	1.4
105.07018	1.6
107.08669	1.4
117.07025	1.1
119.08549	1.0
121.06513	1.3
121.10167	1.4
129.07068	1.1
133.10168	1.0
137.05983	1.4
151.11288	1.0
153.01878	1.0
163.11205	1.5
167.07083	3.0
175.11165	0.8
185.04164	1.2
185.07538	0.9
189.05190	6.5
193.12314	1.2
203.06845	1.4
211.13319	2.1
216.07697	2.0
217.08344	4.4
227.05386	1.0
227.12843	0.9
232.07054	1.2
233.07948	3.0
265.50620	0.8
267.15970	1.9
283.15579	2.3
284.15860	1.1
285.17200	1.1
294.63165	0.9
365.11945	1.4
379.13699	6.5
395.11169	2.7
407.13257	2.8
409.12515	12.4
410.13327	10.4
419.20911	0.9
421.14685	13.1
421.20007	1.1
423.14218	1.9
451.12042	1.1
465.13821	3.9
475.26767	4.0
492.26736	1.0
493.28024	1.7
509.27454	1.6
511.29324	1.5
621.22925	22.9
622.23108	1.0
783.28253	4.0
825.29279	37.6
826.30371	3.0
869.28278	100.0
870.28705	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	870.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	15.9
65.03934	3.6
67.05502	55.0
69.03416	10.3
69.07070	12.0
70.65366	1.8
71.01353	1.8
71.04984	6.1
73.02917	8.2
79.05488	54.3
80.06273	1.2
81.03412	100.0
81.07048	46.1
82.04205	4.1
83.01317	1.5
83.04976	29.4
83.08615	33.3
84.02130	1.9
84.05740	1.2
85.02897	42.2
85.06541	4.0
87.04464	2.3
89.64956	1.1
91.03952	11.8
91.05476	50.4
93.06445	1.6
93.07035	33.7
94.04210	1.2
95.04962	46.0
95.08593	17.6
97.02888	19.0
97.06524	12.1
97.10153	17.0
98.07301	6.6
99.04427	2.2
99.08109	2.4
101.05981	2.1
103.05444	1.2
105.04510	2.4
105.07016	34.6
105.73264	1.2
107.04953	17.4
107.08587	19.8
109.06505	8.3
109.10139	16.8
111.04433	5.8
111.08073	16.0
111.19798	1.3
113.06011	2.8
115.05460	2.4
116.04703	14.2
117.07028	6.5
119.05019	1.5
119.08569	30.2
121.06500	7.6
121.10141	12.3
123.04449	2.1
123.08060	8.6
123.11675	2.9
125.06031	1.4
125.09630	19.3
127.03909	4.4
127.07510	1.0
129.05472	33.0
129.06960	15.7
131.08548	18.8
133.06483	3.6
133.10121	18.1
133.11028	1.9
135.08047	5.0
135.11691	6.9
137.06006	1.2
137.09581	5.4
139.07635	1.3
142.07797	3.9
143.07018	7.2
145.04977	4.2
145.10117	7.6
147.08041	6.2
147.11679	21.7
149.09593	11.3
153.09047	2.7
153.12759	5.0
155.08611	1.4
157.08604	13.6
157.10124	19.2
158.05687	1.8
163.05992	5.2
163.11165	10.9
165.12755	5.0
167.07083	1.5
171.06509	4.1
171.10144	4.7
173.09621	2.3
173.11737	6.9
175.11151	23.8
181.12251	6.1
185.08119	2.6
185.11717	1.6
189.11221	8.9
191.10687	4.1
193.12228	76.6
194.12595	1.9
199.13254	18.8
200.14067	1.7
205.93167	1.4
209.11722	11.9
210.12474	1.6
211.13275	97.5
212.13686	1.9
217.14331	1.4
227.12767	20.2
229.14272	7.8
247.13368	4.0
249.14981	2.0
255.15991	4.1
265.14197	1.7
267.15915	34.1
283.15411	21.2
284.15955	2.7
285.16934	68.2
286.17303	1.6
298.44760	1.1
301.16440	74.6
302.16702	3.1
321.17090	1.1
339.18024	2.8
383.22433	1.1
385.23785	1.1
409.25757	7.4
421.25787	2.9
427.26770	6.6
439.26843	24.4
440.26913	1.4
459.27350	5.8
475.26779	9.0
476.27460	4.7
477.28366	4.6
493.27878	28.9
494.28604	10.9
511.29010	85.9
512.29285	4.6
635.64093	1.6
655.32727	1.2
677.08350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.8
62.15376	0.9
65.03939	4.9
67.05499	70.5
67.92154	0.9
69.03422	12.3
69.07062	54.9
70.07418	1.2
71.04997	5.4
73.02877	1.2
79.05486	53.3
79.38861	1.0
80.05814	1.2
81.03410	13.9
81.06566	2.7
81.07050	53.5
82.07394	1.7
83.04967	10.4
83.08613	16.2
85.02905	4.9
85.06534	3.4
91.05473	51.5
93.06456	2.5
93.07036	41.9
94.04188	2.1
94.07338	1.1
95.01319	1.9
95.04963	25.9
95.08598	36.9
97.02882	11.0
97.06519	18.9
97.10158	15.3
99.04450	1.2
99.08095	2.4
103.05494	1.8
105.04517	4.1
105.07019	36.4
107.04946	18.1
107.08586	28.2
109.02863	2.5
109.06515	8.3
109.10145	24.7
111.04449	2.5
111.08090	4.7
111.91914	0.9
113.06014	1.4
113.09644	1.6
115.05424	3.0
115.07595	1.3
117.07018	17.5
119.04927	2.6
119.08567	29.8
121.06510	7.5
121.10110	12.8
123.04405	2.3
123.08064	7.3
123.11689	2.2
125.09623	13.3
128.06235	3.7
129.05467	2.5
129.06999	8.8
130.07791	1.8
131.04887	1.1
131.08548	19.6
133.06490	4.5
133.10120	19.9
134.07219	1.8
135.08031	7.7
135.11696	8.5
137.05989	1.4
137.09601	11.1
139.07513	1.3
141.06996	3.5
142.07768	1.3
143.08540	6.5
145.06433	1.6
145.10132	14.8
147.08020	8.0
147.11661	10.0
149.09615	16.3
149.13254	5.6
151.11099	2.3
153.09015	2.2
155.08478	1.9
155.10651	1.6
157.08914	1.5
157.10004	5.5
159.08081	2.1
159.11674	10.7
161.09605	5.0
161.13261	3.9
162.10480	1.7
163.11183	9.2
165.09074	2.4
167.08551	1.1
169.10112	4.2
169.12332	1.1
171.11737	4.1
173.09572	2.5
173.11748	4.4
173.13289	3.5
175.11206	4.7
177.12770	3.7
179.14342	3.9
181.10114	1.2
183.11681	1.9
184.07310	1.3
185.13240	2.3
187.11203	2.3
187.14847	2.0
189.11209	5.3
189.12747	2.0
193.12239	2.6
195.11678	1.7
195.13718	2.4
197.13235	1.5
199.11151	1.3
199.13208	1.2
205.12291	3.9
207.43425	1.4
209.13077	1.3
211.13185	2.1
223.13263	16.3
227.12764	6.7
227.17934	1.8
229.14224	5.7
233.15421	1.6
239.17953	2.6
241.14148	1.1
245.18933	3.0
247.20564	1.7
249.14937	1.7
253.14253	1.7
253.17992	1.5
257.19012	7.0
267.15985	1.4
269.17444	2.4
273.18411	14.0
273.21033	1.6
275.20026	25.5
276.20364	1.7
283.15714	1.5
289.17703	1.7
291.19522	100.0
292.19806	2.7
293.21039	1.5
319.42960	1.1
331.22748	1.7
347.22031	2.5
349.23700	28.7
365.23199	21.8
381.22589	1.1
461.28909	4.5
503.33652	1.9
519.33337	8.6
541.35126	2.3
543.36688	8.8
559.36224	4.3
575.35376	2.6
621.41296	1.8
623.42145	1.7
639.42523	23.9
655.41333	1.5
673.42773	1.7
870.43268	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	870.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	5.0
67.05499	100.0
67.41383	2.5
69.03418	7.5
69.07063	37.1
71.04985	5.3
71.08603	2.3
77.03911	3.6
79.05486	48.8
80.64766	2.2
81.03403	15.4
81.07056	62.9
83.04981	13.6
83.08606	11.8
85.02903	4.6
85.06572	3.5
91.05469	73.0
93.07040	47.8
95.01345	12.2
95.04958	22.1
95.08594	36.8
97.06538	25.5
97.10146	9.4
103.05436	3.2
105.07018	85.7
107.04948	20.3
107.08594	24.0
109.06500	8.9
109.10146	52.7
111.08080	5.4
115.05486	2.9
117.07001	20.0
119.08577	48.0
121.06474	3.7
121.10164	12.3
123.04412	3.5
123.08064	7.5
125.09635	6.5
125.18658	2.6
129.05452	4.8
129.07018	3.5
130.52356	2.9
131.08553	33.4
133.10121	51.0
135.08063	4.4
135.11681	10.2
135.51790	2.3
137.09605	5.8
143.08534	4.5
145.10123	23.8
147.11694	18.5
149.09619	9.1
149.13162	4.4
155.08559	5.1
157.10123	7.3
159.11676	12.5
161.13275	5.5
163.11105	6.5
165.09140	2.8
166.92668	2.6
170.10234	2.8
171.11650	2.9
173.11768	8.8
173.13269	4.2
173.27010	3.0
177.12703	5.6
179.14325	15.1
181.12288	3.1
183.11697	2.8
197.13148	3.3
199.13261	3.3
229.14354	29.3
229.19403	2.8
257.18967	3.5
267.15842	2.9
275.20056	75.0
283.15402	5.8
291.19470	4.3
293.21097	5.1
301.16479	5.0
337.30692	3.0
349.23700	23.8
399.23737	21.5
473.32825	3.8
480.38974	2.6
503.33713	44.1
516.34845	2.6
541.34692	3.3
545.39935	2.9
575.35388	8.6
673.43018	75.3
674.42590	5.7
853.06390	3.0
861.43561	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.3
65.03926	1.2
67.05161	1.1
67.05496	16.5
69.03426	3.5
69.07064	3.8
69.41983	3.1
71.04980	3.3
73.02903	1.0
79.05482	15.7
81.03407	71.9
81.07046	17.4
83.04963	8.7
83.08605	19.7
85.02887	12.6
85.06519	1.4
87.55080	0.6
91.03940	2.7
91.05467	21.5
93.07027	12.6
95.04958	27.3
95.08595	7.9
97.02883	4.9
97.06533	3.1
97.10165	4.4
99.08080	0.6
100.99281	0.6
103.05413	0.6
105.04463	0.8
105.06345	1.2
105.07017	16.6
107.04945	6.7
107.08561	6.2
109.06497	3.3
109.10156	3.7
111.04424	2.1
111.08072	8.3
113.05970	0.9
115.05413	2.2
117.06992	2.6
119.04926	1.2
119.08560	14.2
121.06478	4.4
121.10139	6.2
123.04411	1.3
123.08057	2.6
123.11636	1.1
125.06004	0.6
125.09634	4.3
128.06195	1.1
129.06979	11.8
131.04883	1.0
131.08542	10.8
133.06490	3.3
133.10129	6.4
135.07993	1.5
137.05946	0.8
137.09581	2.2
140.48703	0.6
141.06982	1.4
142.07729	3.1
143.08559	1.3
145.06487	4.3
145.10104	2.4
147.08051	3.8
147.11653	10.4
149.09604	5.9
151.07445	0.8
151.11137	0.9
153.09079	0.7
155.08533	0.9
157.06471	1.4
157.10097	12.1
159.08046	1.5
163.11166	1.0
163.68626	0.8
165.12717	2.1
171.07936	1.3
173.09528	1.4
175.11157	12.2
175.48082	0.7
181.10036	0.7
189.11186	1.3
189.12737	0.9
193.12216	31.7
195.11716	1.4
197.13234	1.0
205.12212	0.9
209.13214	1.0
211.11188	1.0
211.13223	12.3
211.15091	0.8
213.12671	0.7
215.14323	0.9
219.13707	0.8
229.14360	1.0
231.13741	0.8
233.15279	0.7
237.12657	1.1
249.14775	2.2
255.13820	1.4
259.13171	1.0
259.15555	0.9
267.15869	100.0
268.16177	2.7
273.14868	4.9
285.16931	11.1
293.17426	0.8
301.14154	0.9
309.16840	0.9
339.23325	0.8
341.21191	2.8
349.21542	3.3
357.24097	0.8
367.22714	8.1
384.57697	0.7
385.23660	8.7
403.24799	3.0
433.20105	1.2
433.25800	16.5
434.25891	0.8
441.26202	6.5
459.27344	74.5
460.27890	3.7
477.28436	45.5
478.28635	2.2
495.29413	1.7
501.28079	2.0
509.59286	0.6
519.29663	1.8
543.29333	0.7
547.67828	0.7
585.30328	2.2
603.31500	1.7
621.32001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.9
63.03139	1.2
65.03949	6.6
66.31219	1.2
67.05498	100.0
68.05865	1.0
69.03419	13.5
69.07061	62.0
71.01348	1.5
71.04983	8.8
73.02905	2.4
73.06556	1.3
75.98780	1.1
77.03925	2.0
79.05484	65.9
81.03416	17.3
81.07049	84.9
83.04976	13.9
83.08609	19.2
85.02911	6.5
85.06529	4.9
87.04427	1.2
91.05470	73.6
92.47932	1.3
93.07034	69.4
95.01324	1.5
95.04966	22.4
95.08596	56.7
95.68939	1.1
97.02879	8.6
97.06524	22.1
97.10152	12.9
99.04449	3.6
99.08073	4.0
103.05482	1.5
105.04508	3.5
105.07021	50.2
107.04944	12.6
107.08581	39.2
109.02850	2.0
109.06522	9.3
109.10148	33.2
111.04448	1.6
111.08058	9.4
113.09621	3.0
115.05491	2.9
116.06191	1.6
117.07000	23.2
119.04858	1.6
119.06043	1.7
119.08566	40.6
121.06467	6.5
121.10130	19.3
123.08039	7.1
123.11647	5.9
125.09623	13.5
127.03907	4.3
128.06187	2.2
129.05495	2.8
129.06979	9.6
130.07762	2.8
131.07642	2.4
131.08548	26.4
133.06477	3.0
133.10118	28.1
135.08028	5.7
135.11684	17.0
137.09599	15.1
139.11182	1.9
141.06949	3.9
142.07787	2.8
143.08548	9.0
144.09317	2.0
145.06491	1.8
145.10120	24.7
147.08034	4.7
147.11665	17.8
149.09605	24.9
149.13239	11.6
151.11209	3.8
155.08557	4.2
155.10634	2.8
157.06352	1.2
157.10117	9.9
159.08054	1.6
159.11676	20.5
161.09599	4.0
161.13222	9.1
163.11145	14.2
165.09061	2.2
165.12730	2.4
169.10110	6.7
171.10269	2.0
171.11661	9.2
173.04385	2.1
173.09615	1.4
173.11716	7.7
173.13255	9.4
175.11160	4.7
175.14859	1.8
177.12726	5.3
179.14299	7.3
183.11598	6.4
185.13280	5.8
187.11127	3.7
187.14920	1.7
189.11188	4.2
189.12730	1.7
193.12187	2.4
195.12076	1.8
195.13748	6.7
197.13275	5.1
199.13193	2.3
199.14825	3.0
201.12715	2.2
205.15981	1.4
211.14809	2.1
213.16393	1.6
217.16046	1.4
223.13135	2.2
227.12785	8.0
229.14288	11.7
229.19470	2.0
233.15256	1.5
237.16498	1.8
239.17914	3.5
245.18980	1.6
247.20609	4.1
253.18034	2.8
255.15671	8.1
257.18921	8.3
259.20575	3.6
263.19962	1.5
267.15781	3.1
269.17401	13.9
273.18484	5.2
275.20023	42.2
276.20416	1.6
291.19470	6.7
293.20996	6.5
295.20587	1.8
313.21606	1.4
331.22635	3.3
333.24237	2.0
349.23712	37.9
350.24216	2.0
365.23236	4.3
367.24789	3.0
383.24109	1.6
409.25858	3.2
423.27307	4.9
431.27673	2.1
445.29694	2.4
447.30933	1.7
503.33054	2.0
505.34955	1.6
525.36041	1.6
527.37323	8.4
529.35107	5.9
543.36700	13.9
561.37732	1.5
607.43079	2.0
623.43384	9.6
625.44208	2.2
671.41296	1.4
689.42651	1.9
873.44177	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.1
62.90020	1.6
65.03926	5.1
67.05501	100.0
69.03420	7.4
69.07069	19.3
71.01370	2.5
71.04977	8.2
73.02911	4.5
79.05039	4.0
79.05492	72.6
81.03423	16.3
81.07053	67.3
83.04980	9.0
83.08611	18.8
85.02915	11.5
85.06538	5.4
87.04456	6.3
91.05475	72.4
93.07037	60.7
93.07607	3.9
95.04980	14.9
95.08602	38.4
97.02904	4.3
97.06512	8.7
97.10156	15.6
98.22698	4.5
99.08067	2.7
100.28709	1.7
105.04513	3.5
105.07024	62.2
107.04992	5.3
107.08044	1.0
107.08586	40.2
109.06504	4.6
109.10152	56.9
111.08059	4.8
111.11774	2.1
114.49314	2.0
115.05449	1.7
117.07008	25.5
118.57717	1.7
119.08570	50.6
121.06488	3.9
121.10129	24.7
123.08056	4.6
123.11751	3.0
125.09627	18.1
127.11165	1.8
128.06175	2.7
129.05461	3.5
129.06982	12.2
130.07806	2.4
131.08557	25.1
133.10123	38.4
135.08084	3.3
135.11671	19.5
137.09579	5.0
139.11182	2.2
141.06969	3.3
142.07745	2.0
143.07593	1.9
143.08536	11.6
143.10640	2.0
145.10156	20.4
147.08028	2.0
147.11691	37.2
149.09628	5.3
149.13268	7.0
153.12651	3.5
155.08566	3.6
155.10623	2.7
157.10085	10.1
159.11703	19.9
161.09561	2.6
161.13223	16.6
163.11186	10.5
163.14803	2.7
165.12686	1.8
169.10138	5.7
171.11638	10.0
173.09680	2.6
173.11720	16.4
173.13237	12.3
175.11176	2.6
175.14848	6.5
183.11662	2.8
185.13222	10.1
187.14801	4.7
189.11195	3.8
189.12738	2.3
193.12157	3.5
195.11656	2.1
197.13284	2.9
199.11467	2.8
199.13260	6.4
199.14844	6.5
203.14491	1.8
209.11693	3.7
213.16312	2.8
227.12730	8.1
229.14319	39.4
229.16379	3.6
231.20995	5.9
241.19499	19.0
257.19092	3.6
259.20560	51.9
261.22052	3.0
267.15787	3.6
275.20071	6.4
277.21695	3.6
283.15213	2.6
297.21942	3.2
301.16486	4.8
308.68201	1.9
313.21680	2.6
315.23074	6.0
325.21844	2.1
333.24213	44.7
338.09744	2.2
349.23816	2.5
399.23773	14.4
475.34042	2.1
487.34247	6.2
504.34122	2.9
505.34955	2.5
541.34888	2.3
559.35651	4.0
585.41852	2.5
657.42963	4.9
675.43738	4.1
873.45160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.7
65.03934	5.5
67.05496	100.0
68.05849	1.6
69.03423	12.2
69.07060	60.6
71.01344	2.8
71.04996	8.5
73.02917	3.9
78.62770	1.4
79.05483	81.5
81.03408	17.2
81.07047	97.6
83.04980	16.5
83.08603	23.5
85.02886	9.0
85.06526	7.6
86.09685	3.0
91.03947	2.3
91.05469	75.5
93.07034	76.2
95.04957	27.3
95.08593	48.6
95.09200	2.1
97.02917	7.8
97.06516	22.6
97.10162	12.2
99.04433	3.0
99.08086	4.0
103.05487	3.3
105.04496	5.6
105.07014	53.9
105.07729	2.8
107.04960	14.1
107.08585	43.8
109.02885	3.7
109.06490	8.9
109.10146	30.8
111.04421	1.6
111.08073	6.8
113.09650	2.5
115.05412	4.2
117.07015	23.2
119.08574	43.7
121.06487	5.9
121.10127	21.7
123.04495	1.5
123.08064	10.8
123.11697	7.2
125.09605	11.7
127.03883	6.0
128.06221	3.1
129.05502	3.7
129.06969	10.2
130.07748	1.8
131.08549	28.5
133.06496	3.3
133.10106	32.5
135.08046	8.2
135.11670	21.1
137.09619	13.5
139.11183	2.1
141.06982	4.9
142.07739	2.7
143.08557	8.2
145.06453	3.0
145.10115	21.0
147.07968	2.3
147.11661	18.9
149.09592	26.2
149.13200	14.8
149.14078	1.3
151.11134	4.0
153.09163	1.9
155.08578	4.9
156.09245	1.7
157.10107	10.3
159.11681	17.4
161.09618	4.7
161.13239	6.5
163.11148	14.2
165.12730	2.0
169.10178	4.7
171.10236	2.3
171.11668	6.1
173.04395	2.3
173.09619	2.9
173.11716	5.2
173.13263	8.2
175.11234	4.7
177.12733	7.2
179.03893	1.5
179.14328	4.4
181.10168	2.7
181.12221	3.6
183.11609	4.5
184.07463	3.7
185.13239	6.1
187.11279	2.7
187.14807	2.5
189.11221	5.1
193.12151	2.6
195.13791	6.5
197.13289	2.7
199.13268	2.4
199.14932	1.9
209.13362	1.8
227.12761	5.9
229.14211	10.9
229.19505	2.1
233.15358	1.7
239.17912	3.9
243.15726	2.4
245.13782	1.9
247.20485	3.5
251.16451	1.9
253.14229	3.0
253.18025	2.6
255.15799	10.6
257.18988	10.3
259.20560	2.3
267.15881	3.2
269.17435	24.2
273.18393	5.3
275.20007	37.0
291.19479	7.8
293.21213	3.8
331.22702	4.1
349.23685	34.4
364.61792	1.8
365.23120	4.6
367.24695	3.2
401.60883	1.7
409.25409	2.8
423.27231	7.4
445.29697	2.0
447.30911	2.2
449.29111	2.9
503.33395	2.9
527.37537	2.6
529.34857	6.8
543.36810	21.8
544.36719	2.9
559.35931	2.3
623.42603	4.1
624.42529	1.8
873.45020	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	872.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.9
65.03921	6.6
67.05498	100.0
69.03424	14.9
69.07062	60.7
69.07438	3.3
70.91794	2.5
71.04984	18.1
73.02887	5.7
77.03915	2.3
79.05485	86.7
80.05795	1.7
81.03410	19.5
81.07053	91.6
83.04980	17.8
83.08601	21.5
85.02888	8.5
85.06535	7.7
87.33052	1.5
91.05470	88.9
93.07034	82.9
94.07381	2.9
95.04959	23.8
95.08021	3.1
95.08598	50.8
97.02896	8.6
97.06524	34.3
97.10170	15.1
99.04446	4.8
99.08087	4.1
103.05460	3.0
105.04501	6.9
105.07019	69.0
106.07323	2.1
107.04933	11.4
107.08582	50.7
109.06487	13.4
109.10157	31.5
111.04427	3.2
111.08060	9.0
113.05986	2.4
115.05424	4.1
115.07552	6.9
117.07008	30.3
119.04879	2.3
119.08567	53.7
120.08829	2.2
121.06499	6.8
121.10117	24.5
123.08025	7.7
123.11707	7.9
125.09604	14.2
127.03920	5.1
128.06200	5.3
129.05475	2.6
129.07010	19.1
131.08553	42.5
133.06459	4.5
133.10124	39.4
135.08061	13.9
135.11670	18.9
137.09605	12.1
139.11200	2.0
141.06964	7.2
142.07762	3.1
143.08546	17.2
145.06503	2.9
145.10106	27.4
147.08040	4.7
147.11679	20.9
149.09598	18.9
149.13229	13.0
151.11145	4.2
153.06970	2.3
155.08557	8.7
156.09045	1.5
157.10132	16.0
159.07964	3.2
159.11678	23.9
161.09633	6.1
161.13263	11.8
163.11163	13.7
163.14722	2.2
165.12737	1.9
167.08589	3.1
167.20816	1.7
169.08749	2.7
169.10107	11.7
171.10246	3.3
171.11642	14.1
173.04390	2.2
173.09584	3.9
173.11703	4.2
173.13245	9.9
175.11162	4.3
175.14795	1.9
177.12726	5.2
179.14250	4.9
181.10075	5.0
181.12080	1.7
183.11740	8.0
184.07356	3.8
185.13254	7.7
185.45801	1.8
187.11165	4.3
187.14825	2.8
189.11211	5.5
189.12753	2.8
192.79402	1.8
193.10060	2.0
195.11736	4.7
195.13734	2.9
197.13216	6.2
199.14847	3.4
201.12781	3.4
201.16428	2.1
203.14282	2.5
207.11760	2.5
207.13829	2.0
209.13165	4.8
211.14847	2.8
215.14197	2.4
223.14822	3.1
227.12686	7.8
229.14319	9.1
229.19514	3.7
247.20427	2.9
255.15692	3.8
257.18964	13.2
259.20486	10.8
267.15982	4.6
269.17407	14.0
273.18402	5.4
275.20035	36.6
291.19443	9.5
293.21085	4.5
297.21948	1.7
303.23242	1.6
313.21655	2.4
315.23126	2.9
331.22775	2.6
333.24310	9.8
349.23746	28.7
365.23288	4.7
367.24707	4.7
383.24258	2.3
423.27179	3.2
447.30969	2.3
503.33829	2.2
513.35614	2.7
527.37439	13.6
529.35175	3.5
543.36810	9.5
559.36133	2.5
607.42999	7.3
623.43005	9.0
625.44073	3.8
639.45624	2.1
641.42853	4.0
671.40613	2.2
689.42340	5.9
757.93951	1.9
873.43555	2.5
890.94135	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.7
65.03939	6.4
67.05497	100.0
69.03428	12.2
69.07060	58.4
71.01331	3.0
71.04980	13.3
72.87643	1.8
73.02895	2.8
77.03930	2.5
77.52126	2.0
79.05488	79.0
81.03410	15.9
81.07047	86.5
82.07368	2.4
83.04969	13.2
83.08606	25.7
85.02897	8.3
85.06549	4.4
91.05471	77.8
93.07035	75.1
95.04958	34.4
95.08598	49.4
97.02892	7.6
97.06519	28.2
97.10149	14.7
98.22720	6.1
99.04426	4.3
99.08075	5.4
100.23119	2.7
103.05450	3.4
105.04500	5.2
105.07014	64.5
107.04940	14.4
107.08576	42.1
109.02874	3.1
109.06501	12.0
109.10160	30.8
111.04449	2.5
111.08032	9.7
115.05424	4.5
115.07565	7.1
117.07008	26.8
117.48106	2.0
119.08566	50.6
121.06487	4.7
121.10112	24.0
123.04396	2.4
123.08064	9.4
123.11717	5.2
125.09622	8.8
125.68068	1.8
127.03905	4.8
128.06187	6.0
129.05482	3.0
129.06982	16.0
130.07765	3.1
131.08549	32.0
133.06459	2.9
133.10120	35.4
133.11131	2.5
135.08051	8.8
135.11674	16.6
137.09633	10.4
139.11189	3.7
141.07011	6.8
142.07774	2.7
143.08556	17.3
145.06352	2.3
145.10109	30.7
147.08032	5.8
147.11678	23.0
149.09621	20.0
149.13257	8.4
151.11165	5.2
153.07077	2.7
155.08583	8.7
157.04344	1.8
157.08914	2.8
157.10068	15.0
159.08170	3.4
159.11690	26.5
161.09616	4.7
161.13214	9.7
163.11111	11.7
165.09087	2.5
165.12790	3.2
167.08484	2.6
169.10129	8.3
171.11662	15.0
173.09689	3.0
173.11685	6.2
173.13248	8.3
175.11180	3.4
175.14746	3.2
177.12743	5.6
179.14330	3.9
181.10146	2.9
181.12135	2.8
183.11696	8.6
185.13271	8.7
187.11226	4.6
187.14772	3.5
189.11208	4.8
193.09952	2.6
193.12263	2.5
195.11821	2.7
197.13174	4.4
211.14937	3.9
213.16351	3.2
221.13263	3.5
223.13139	4.9
227.12798	7.4
229.14204	11.4
239.17996	4.5
241.19507	5.0
255.15694	3.2
257.18985	7.3
259.20566	16.6
267.15854	3.3
269.17450	6.6
273.18481	6.7
275.20059	30.6
276.20151	2.5
291.19531	6.0
293.21063	5.8
313.21533	2.8
333.24286	16.3
347.22427	2.5
349.23746	24.6
365.23410	3.8
367.24817	4.2
417.32031	2.5
435.32480	3.5
487.34183	3.6
505.34995	3.8
509.36133	2.7
513.35645	2.9
515.38470	3.6
527.37335	23.7
543.36835	5.7
545.38409	2.8
607.43451	8.4
623.42780	7.6
625.44617	8.3
639.45667	2.6
641.43835	5.7
671.41608	3.8
689.42297	5.8
714.83801	2.2
873.44269	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	874.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78736	2.5
61.02909	4.6
65.78532	2.6
67.05495	78.9
69.03413	7.0
69.07064	26.1
71.04985	4.8
71.07355	2.5
73.02895	3.7
77.07785	2.2
79.05038	4.2
79.05482	54.1
81.03403	10.5
81.07053	80.1
83.04963	9.4
83.08614	20.7
85.02882	6.2
85.06530	5.0
86.09698	31.7
87.04472	3.1
91.05476	58.1
93.07035	58.5
95.04953	18.1
95.08598	38.0
97.02843	4.9
97.06507	14.9
97.10145	10.4
98.98482	3.0
99.08069	4.0
103.05466	3.3
104.10748	3.3
104.28915	2.8
105.07021	50.1
107.04937	8.3
107.08584	37.6
109.02853	2.8
109.06527	6.2
109.10141	33.0
111.08073	6.9
117.06971	16.5
119.08575	32.6
121.06499	5.9
121.10146	20.6
123.08083	4.2
123.11694	5.5
123.46584	2.6
125.00004	19.7
125.09620	11.0
128.06178	2.8
129.06990	9.3
131.08549	28.5
133.10103	34.5
134.10443	3.5
135.08040	5.6
135.11662	13.0
137.09604	5.9
141.06979	3.0
142.07770	4.0
143.08531	10.0
145.10098	19.3
147.11693	19.2
149.09570	9.9
149.13249	8.9
151.11185	4.2
155.08568	5.1
157.10088	9.6
159.11644	18.2
160.17627	2.3
161.13246	9.0
163.11148	7.7
169.10063	9.4
171.11674	10.7
173.11678	6.6
173.13193	7.5
175.14726	5.8
177.12706	6.7
183.11656	4.6
184.07330	100.0
185.13225	5.8
187.11124	3.2
187.14844	3.9
189.11197	3.6
195.13763	5.2
197.13263	5.0
199.14801	2.9
201.84535	2.7
215.17987	3.8
225.48291	2.9
227.12770	7.8
229.14339	11.2
241.19586	3.6
257.18973	8.9
259.20468	16.2
269.17474	25.5
275.20016	30.9
293.21017	7.1
333.24243	12.4
337.89899	3.2
347.22189	3.0
349.23584	16.1
367.24783	10.1
423.27466	5.8
463.30261	7.9
487.33572	3.2
505.35403	3.3
507.05261	2.5
513.35938	2.8
515.36835	3.1
527.37115	11.3
543.36481	10.6
545.38293	6.1
551.27612	3.3
560.36365	2.8
561.36694	5.4
607.43402	6.3
625.44287	10.6
874.45953	18.7
875.47302	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34124	1.3
65.03939	3.2
67.05499	100.0
69.03426	9.8
69.07063	37.6
71.04984	7.0
79.05489	69.3
81.03416	11.4
81.07050	96.8
82.07345	1.6
83.04981	9.5
83.08617	23.0
84.08997	1.5
85.02908	4.7
85.06536	4.0
86.09699	6.5
88.23380	1.5
91.04878	1.8
91.04990	1.0
91.05468	61.5
93.07037	68.7
93.57913	1.5
95.04960	16.7
95.08595	39.9
97.02885	4.3
97.06525	18.5
97.10163	13.6
99.04456	2.0
99.08068	2.3
100.99113	1.5
103.05454	1.8
105.04510	3.5
105.07021	43.9
107.04920	11.4
107.08583	50.8
109.06506	13.2
109.10155	33.7
111.08082	6.2
113.09612	2.1
115.05415	1.5
116.06241	1.7
117.06999	22.0
119.08573	36.0
121.06509	5.3
121.10127	24.6
121.98116	1.6
123.04461	1.8
123.08058	5.5
123.11704	5.4
125.00027	5.9
125.09616	12.0
129.06975	8.5
131.08565	24.1
133.06538	3.8
133.10109	28.7
135.08046	6.9
135.11671	18.3
137.09592	3.9
141.07045	2.6
143.08571	5.1
145.06497	2.0
145.10112	25.0
147.08081	3.7
147.11676	16.1
149.09607	14.4
149.13260	14.2
151.11215	4.1
153.09106	1.9
155.08536	4.2
157.06551	1.5
157.10092	6.5
159.11685	18.1
161.09601	2.4
161.13277	4.3
163.11203	10.2
169.10110	5.0
171.11681	5.8
173.04543	2.1
173.09584	2.0
173.11745	6.8
173.13269	7.1
175.11230	1.8
177.12775	4.0
179.14313	2.4
183.11678	4.0
184.07321	23.2
185.13268	2.7
187.11276	2.1
187.14897	2.4
189.11212	5.6
189.12785	2.5
195.13826	6.6
197.13252	2.8
199.14989	2.1
201.12598	2.2
209.13223	1.6
227.12723	13.3
229.14336	17.4
229.19554	2.8
232.47543	1.5
239.17960	2.6
247.20651	3.2
251.16212	1.7
255.15723	8.3
257.19037	13.0
267.15887	3.6
269.17441	31.2
275.20059	51.3
283.20215	1.4
291.19568	2.1
293.21008	8.1
309.20596	1.5
331.22723	5.2
349.23694	45.4
367.24786	11.6
393.08664	1.7
393.83081	1.5
409.25717	7.6
413.21756	2.8
423.27335	23.1
431.27707	1.7
433.30649	1.9
445.29388	2.9
449.28836	9.2
451.32474	2.2
463.30484	27.7
469.32785	1.8
503.33633	11.5
519.33197	2.5
521.34296	4.3
525.35724	6.1
529.34949	6.7
543.36707	46.3
544.36548	1.9
547.36493	3.8
561.37744	16.3
562.38165	1.8
607.34076	4.2
623.43164	12.4
641.43835	10.7
687.40997	2.6
874.45160	3.6
875.48108	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	875.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.4
62.09797	0.5
62.90276	0.5
64.30259	0.5
67.05511	1.5
69.03420	3.9
69.07069	0.8
71.04975	0.6
73.02905	3.7
75.79657	0.4
75.89940	0.5
79.05511	1.9
81.03433	2.3
81.07082	2.0
83.04968	0.7
83.08646	0.7
85.02895	6.6
91.03950	4.5
91.05483	1.3
91.06226	0.5
93.07072	1.3
95.01134	0.6
95.04944	0.9
97.02907	4.7
98.23514	1.2
99.04466	0.6
101.02402	1.6
103.03992	0.7
105.07060	1.6
107.08636	0.8
109.10270	0.6
117.65012	0.5
119.08609	1.3
121.10139	0.5
127.03949	1.8
129.05490	1.0
133.10184	0.7
153.01880	0.7
157.04802	0.9
157.10138	0.5
167.07056	0.8
169.04765	1.0
182.21596	0.5
185.04266	2.2
187.02477	0.5
193.12311	1.6
199.13310	0.6
201.03622	2.8
203.05342	2.1
211.13324	0.6
243.08507	1.5
251.12697	1.8
259.07892	1.1
269.12460	0.5
277.13992	0.7
285.17044	0.8
291.15747	1.1
301.08908	4.1
315.10657	0.8
319.10013	1.6
329.08392	1.4
347.09445	13.1
349.16321	1.6
359.09576	0.8
361.10843	0.8
363.08917	7.8
363.12601	0.7
365.10599	1.1
367.17242	1.2
383.16867	1.4
385.18378	1.9
395.16953	1.3
405.13699	6.4
421.13452	1.0
433.26019	1.6
443.19205	0.7
463.14099	11.8
463.20105	0.8
467.18994	0.7
469.20325	5.0
477.15845	2.5
479.13727	0.5
489.15817	1.1
503.17282	1.3
511.21448	0.7
517.18634	0.7
519.20367	0.6
527.20801	2.9
529.22864	1.8
531.20874	0.7
533.22125	0.6
535.16052	2.9
541.22748	1.1
545.22241	3.6
547.23645	7.0
549.17914	0.8
557.22479	1.5
577.21228	0.6
585.25751	0.7
591.22284	0.9
595.30908	0.8
601.25024	1.2
605.24152	4.5
611.30426	1.7
619.25677	1.2
631.25702	14.0
632.25659	1.0
641.32111	1.4
647.24774	2.9
651.33728	0.5
661.26685	3.1
673.26544	1.4
689.33887	1.4
690.26947	5.6
703.27570	5.7
717.29785	1.6
731.31824	2.2
745.33899	2.0
759.31598	0.8
773.35754	5.0
773.73993	0.6
774.36151	3.3
813.38226	1.0
815.36383	1.3
829.38531	2.1
857.37683	2.9
858.38776	1.7
875.38611	100.0
876.39221	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	875.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02671	0.6
61.02927	4.0
64.89276	0.6
67.05499	6.0
69.03433	3.7
69.07051	3.4
71.82657	0.6
73.02921	3.0
79.05475	6.4
81.03426	3.0
81.07050	8.5
81.26320	0.7
83.08626	1.7
85.02900	4.5
86.09699	0.9
87.04479	1.1
91.03927	3.1
91.05460	4.7
93.07040	5.1
95.04981	2.9
95.08607	3.5
96.68997	0.7
97.02892	4.6
97.06528	1.0
97.10171	1.5
101.02387	1.9
105.07042	3.7
106.07304	0.8
107.04960	1.9
107.08599	3.0
109.10160	2.0
117.07034	1.8
119.08595	2.3
121.06447	0.7
123.08038	0.9
123.91856	0.7
124.99989	1.4
125.09641	1.4
127.03934	2.1
129.05618	0.8
131.08597	1.9
133.10115	1.6
135.08073	0.6
135.11655	1.0
145.10129	0.8
147.11671	0.9
149.09659	0.8
149.13318	0.8
159.11659	0.6
163.11185	1.0
171.11711	1.1
182.89241	0.7
184.07349	2.9
185.04239	2.2
196.43010	0.7
201.03813	0.8
243.08379	4.9
291.19580	1.0
301.09036	6.5
313.17224	0.7
315.10614	1.8
319.15005	0.7
331.18781	1.6
343.81985	0.7
357.15460	0.7
357.20197	0.8
369.15054	0.9
371.21512	0.9
373.11075	1.8
383.16730	1.0
385.18289	4.1
413.17963	1.0
429.17331	0.9
429.22549	1.2
465.20926	6.2
469.20749	0.7
475.22812	1.4
481.20499	2.8
519.22015	2.8
533.27100	1.4
539.20782	5.5
546.04156	0.7
549.26599	6.1
553.22754	0.8
565.25024	1.3
583.31262	1.2
621.28992	3.1
623.30176	7.0
624.30762	0.8
649.32404	1.3
691.36249	0.9
709.37537	1.2
721.37421	2.8
731.37659	1.6
743.36304	8.7
759.36700	1.1
771.38641	1.5
777.40210	0.8
782.06659	0.8
789.40186	48.6
790.40430	3.0
811.42493	2.1
829.43134	5.3
857.46448	2.8
875.46429	100.0
876.46674	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	875.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.1
67.05500	6.2
67.81276	1.0
69.03429	4.1
69.07073	3.6
69.08109	7.9
73.02915	4.3
79.05492	6.0
81.03414	5.2
81.07061	8.0
83.04426	1.5
83.04960	3.2
83.08620	2.1
85.02882	5.4
86.09679	1.9
91.03963	3.1
91.05464	5.1
93.07040	7.9
95.04955	3.4
95.08607	4.6
97.02908	6.3
97.06523	2.3
97.10197	1.7
99.04447	1.5
101.02406	2.0
105.07027	3.7
107.04949	1.6
107.08589	4.3
109.10153	3.4
117.07050	1.8
119.08591	3.3
121.10185	2.0
125.00023	2.4
127.03913	2.0
129.05499	1.3
133.10156	2.0
134.10455	1.1
135.11687	2.3
143.23920	1.0
145.10149	2.6
153.18469	1.2
156.59094	1.1
159.11743	1.9
184.07339	6.4
185.04231	1.9
185.07773	1.1
209.09761	1.2
223.13156	1.3
243.08478	5.4
246.64772	1.2
267.11908	1.6
283.06134	1.0
290.30170	1.1
291.19766	1.6
293.78464	1.2
301.09064	2.7
315.10519	1.4
331.18811	2.7
369.15973	1.3
373.11020	1.7
385.18344	2.2
387.21289	1.5
395.61951	1.1
429.17578	2.3
439.19235	8.2
469.20370	1.6
527.27991	1.8
533.27283	4.6
539.20831	2.8
549.26740	11.0
567.26050	1.3
621.28986	3.2
623.29614	1.8
649.32538	1.1
705.38470	3.5
721.36792	1.3
731.38257	1.5
747.39178	24.3
748.39008	1.9
771.39502	1.2
777.39417	2.2
789.40210	20.5
857.47125	5.8
875.47321	100.0
876.31891	1.1
876.46881	7.4
882.35620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.0
66.93721	0.5
67.05499	3.0
67.25010	0.5
69.03416	2.8
69.06654	3.3
69.07072	2.6
71.05002	1.4
73.02925	2.6
79.05483	4.2
81.03433	1.4
81.07063	3.0
82.20491	0.5
83.04974	0.8
83.08617	0.8
85.02893	2.9
85.06577	0.5
86.09707	1.2
91.03962	2.1
91.05487	2.8
93.07037	3.2
95.04993	1.4
95.08618	2.3
97.02888	3.6
97.10184	0.6
99.04467	0.6
101.02402	1.2
105.07003	2.4
107.08625	1.7
109.10149	1.2
111.08183	0.5
115.03936	0.8
117.07041	1.1
119.08578	1.3
121.10167	1.2
125.00005	0.9
126.38210	0.5
127.03920	1.1
129.05560	0.8
131.08577	1.0
133.10149	1.0
135.11716	0.8
144.76477	0.5
145.04959	0.7
145.10081	0.7
147.11646	0.8
149.09575	0.6
159.11725	0.6
161.13350	0.5
184.07332	2.8
185.04271	1.1
185.07924	0.7
243.08333	2.4
301.09006	2.1
315.10461	0.8
333.20374	0.8
341.11990	0.8
343.13159	0.6
365.23123	2.0
373.10995	0.8
383.16962	0.6
385.18436	0.8
397.30841	0.5
413.17856	0.7
434.73264	0.5
439.19412	1.7
465.21182	1.3
469.20078	0.8
535.28992	4.0
541.22296	1.0
551.28247	2.9
567.26849	1.4
583.31036	4.0
623.30566	0.6
733.41852	0.9
749.41290	3.3
791.41858	8.2
859.48334	1.6
877.49463	100.0
878.49567	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	877.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.9
67.05499	5.8
69.03424	3.5
69.07055	3.5
71.04993	0.9
73.02914	4.8
73.72503	0.5
76.99562	0.6
79.05483	5.3
79.05803	0.5
81.03426	2.6
81.07053	6.0
82.15252	0.5
83.04977	1.3
83.08621	1.4
84.20921	0.5
85.02898	5.4
85.11462	0.5
86.09722	0.9
91.03944	4.4
91.05460	4.6
93.07041	4.5
94.47208	0.5
95.04983	1.4
95.08613	2.5
97.02885	6.1
97.06541	0.9
97.10163	1.1
99.04442	1.0
101.02392	1.9
105.04584	0.5
105.07041	2.7
107.08595	3.0
109.02889	1.1
109.06574	0.9
109.10182	1.5
117.05512	0.6
117.07039	1.2
119.08601	2.1
121.10162	1.1
127.03930	1.9
129.05536	1.0
131.08502	0.5
133.10181	2.0
135.11714	3.1
136.50452	0.5
145.10089	0.8
147.11728	1.0
149.13226	0.7
159.11717	1.2
163.11139	0.8
184.07401	1.4
185.04166	2.6
201.03792	0.5
201.07581	0.5
201.14613	0.5
203.05249	1.0
221.11552	0.6
223.13287	0.7
237.86562	0.6
243.08382	6.5
244.17978	0.6
255.16013	0.6
259.07892	0.6
263.12619	1.2
277.14032	0.7
301.08939	5.7
315.10611	1.7
315.19171	0.6
333.20319	5.0
333.24036	0.9
355.13779	0.7
357.15247	1.3
359.21960	1.2
369.15027	1.0
373.11093	1.8
373.23352	0.9
385.18304	3.0
389.23001	1.2
413.17981	2.2
429.17416	1.7
431.24066	1.5
439.19257	10.9
449.24966	0.7
453.21173	1.8
457.20291	0.7
469.20728	1.1
477.24896	1.3
481.20071	4.2
500.22113	0.7
515.33630	0.9
533.27399	0.9
535.28320	1.5
541.22473	4.9
549.26947	0.7
551.28204	14.4
552.28857	0.8
561.33948	0.8
567.27917	1.1
583.31079	0.9
587.35480	0.6
623.30756	3.3
625.31818	2.1
626.32294	0.7
637.31641	1.3
651.33569	1.6
665.35486	0.9
679.35303	1.6
693.37744	1.6
711.39233	1.0
723.39276	2.1
749.40668	32.3
750.41315	2.6
791.41663	22.9
792.41980	1.6
843.49493	0.8
858.92413	0.6
859.47778	5.0
860.48279	0.9
877.49237	100.0
878.49738	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	877.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.2
64.42350	0.4
64.87885	0.5
65.03940	0.8
67.05502	5.1
67.65305	0.6
69.03426	3.9
69.07066	2.3
71.04996	1.3
71.31738	0.5
73.02918	3.9
79.05490	4.8
81.03423	2.6
81.07053	5.6
83.04995	1.1
83.08635	1.2
85.02893	5.4
86.09704	0.5
91.03938	4.4
91.04417	0.4
91.05488	3.9
93.07034	4.4
95.04975	1.8
95.08627	1.9
97.02886	5.0
97.06523	0.6
97.10161	0.8
98.22675	1.0
99.04505	0.9
101.02391	2.3
105.07012	2.6
107.08616	2.0
109.02876	0.7
109.06532	0.6
109.10167	1.8
111.08158	0.7
117.07021	1.2
119.08610	1.9
121.10152	1.3
125.00035	0.8
125.09697	1.0
127.03922	1.9
129.05496	1.0
131.08548	0.8
133.10147	1.1
135.11711	0.9
159.11705	1.0
161.13341	0.7
184.07410	1.9
185.04282	2.2
201.03664	0.8
223.13348	1.1
243.08423	4.0
259.07849	1.0
263.12653	0.9
274.27036	0.6
300.13641	0.5
301.08923	8.3
313.08801	0.9
315.10483	2.1
333.20325	4.2
357.15259	0.9
362.65015	0.5
365.22943	1.3
369.15176	0.9
371.16940	0.9
373.10828	2.6
373.23544	1.5
385.18378	4.3
389.22845	0.9
413.17902	1.9
429.17371	2.3
431.24280	1.8
439.19562	1.1
453.20969	1.5
457.20731	0.7
465.21036	0.8
469.20590	1.7
477.24585	2.9
481.20529	4.6
500.22266	1.6
513.27289	0.7
515.33093	1.0
535.29132	1.9
541.22223	6.0
551.28339	8.5
561.34137	0.9
567.27655	1.1
583.30841	3.4
584.31262	0.7
610.29907	1.3
623.30499	3.9
625.31439	3.1
637.32111	1.0
651.33667	1.2
693.38861	2.7
711.39801	1.4
723.38928	3.2
749.40936	1.8
791.41791	27.3
792.41949	2.9
831.44788	0.7
859.46948	2.9
877.49945	100.0
878.50940	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	877.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.1
67.05499	4.7
69.03435	1.0
69.07048	0.8
73.02911	2.7
79.05496	2.0
81.03407	1.0
81.07061	2.3
83.08644	1.1
85.02899	2.5
91.03968	1.9
91.05486	1.8
93.07043	2.0
95.08617	1.6
97.02881	4.2
101.02390	1.4
105.07048	2.0
107.08598	1.2
109.02924	0.6
109.10175	4.3
111.56231	0.7
119.08575	2.3
121.10120	0.8
127.03900	1.4
133.10112	1.1
147.11696	0.8
173.11760	1.8
184.07347	1.8
185.04274	1.1
218.29532	0.8
243.08484	1.9
300.71506	0.7
301.06006	0.6
301.08826	3.3
315.10413	1.3
326.90973	0.7
385.18512	1.8
413.17740	9.4
429.16641	0.8
455.18814	0.8
465.21109	1.6
485.19843	1.3
491.17389	0.7
525.23077	4.5
535.28876	7.3
538.51288	0.6
594.30231	0.8
607.31073	1.9
609.32300	1.3
663.37030	0.8
707.39673	100.0
708.39948	7.1
731.39801	0.8
733.40607	0.7
735.42999	1.8
763.42004	2.8
791.40643	1.5
877.49493	16.6
878.48651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.6
67.05491	4.6
69.03421	3.6
69.07063	2.1
71.04983	0.9
73.02927	3.7
79.05482	4.7
81.03423	2.7
81.07045	5.0
83.04941	1.8
83.08601	1.4
85.02892	4.6
86.09711	2.6
91.03961	2.8
91.05475	4.3
93.07056	5.4
95.04961	1.5
95.08618	2.0
97.02893	4.7
97.06520	0.8
97.10162	1.5
99.04439	1.4
101.02403	1.4
105.07035	2.9
107.04960	1.0
107.08592	2.8
109.06536	0.9
109.10161	1.8
117.07019	0.7
119.08581	1.8
119.77153	0.6
121.06523	0.9
121.10162	1.1
125.00017	2.7
125.09621	0.9
127.03916	2.0
131.08598	0.9
133.10150	2.0
135.08064	0.7
135.11746	1.7
145.10133	1.2
147.11670	1.1
149.13242	0.7
159.11629	0.7
184.07330	11.3
184.08853	1.0
185.04224	2.5
185.07733	1.3
189.11287	0.9
197.64569	0.7
201.03818	1.0
205.30876	0.7
212.12373	0.6
212.21059	0.8
218.85106	0.6
243.08351	5.3
266.43994	0.8
301.08899	4.7
313.08987	1.3
315.10590	2.2
333.20447	2.5
349.19904	1.3
357.15192	0.8
373.11188	2.2
385.18289	3.2
429.17514	0.9
439.19662	2.5
451.19562	0.8
465.20917	4.2
481.20578	1.8
495.21954	1.8
507.00882	0.6
525.23065	4.8
533.26965	1.0
535.28894	4.0
541.22668	1.6
551.28253	5.8
565.27472	0.8
567.27527	3.7
594.30157	0.9
607.30585	1.0
609.32385	1.9
611.30243	2.2
623.30444	1.0
625.31635	1.1
695.38721	0.9
723.39203	2.6
749.40558	7.6
775.42365	1.4
779.40594	2.4
791.41711	25.6
792.41571	3.1
801.43500	1.1
831.44720	2.8
859.47699	5.6
877.48352	100.0
878.48486	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	877.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.6
67.05491	4.6
69.03421	3.6
69.07063	2.1
71.04983	0.9
73.02927	3.7
79.05482	4.7
81.03423	2.7
81.07045	5.0
83.04941	1.8
83.08601	1.4
85.02892	4.6
86.09711	2.6
91.03961	2.8
91.05475	4.3
93.07056	5.4
95.04961	1.5
95.08618	2.0
97.02893	4.7
97.06520	0.8
97.10162	1.5
99.04439	1.4
101.02403	1.4
105.07035	2.9
107.04960	1.0
107.08592	2.8
109.06536	0.9
109.10161	1.8
117.07019	0.7
119.08581	1.8
119.77153	0.6
121.06523	0.9
121.10162	1.1
125.00017	2.7
125.09621	0.9
127.03916	2.0
131.08598	0.9
133.10150	2.0
135.08064	0.7
135.11746	1.7
145.10133	1.2
147.11670	1.1
149.13242	0.7
159.11629	0.7
184.07330	11.3
184.08853	1.0
185.04224	2.5
185.07733	1.3
189.11287	0.9
197.64569	0.7
201.03818	1.0
205.30876	0.7
212.12373	0.6
212.21059	0.8
218.85106	0.6
243.08351	5.3
266.43994	0.8
301.08899	4.7
313.08987	1.3
315.10590	2.2
333.20447	2.5
349.19904	1.3
357.15192	0.8
373.11188	2.2
385.18289	3.2
429.17514	0.9
439.19662	2.5
451.19562	0.8
465.20917	4.2
481.20578	1.8
495.21954	1.8
507.00882	0.6
525.23065	4.8
533.26965	1.0
535.28894	4.0
541.22668	1.6
551.28253	5.8
565.27472	0.8
567.27527	3.7
594.30157	0.9
607.30585	1.0
609.32385	1.9
611.30243	2.2
623.30444	1.0
625.31635	1.1
695.38721	0.9
723.39203	2.6
749.40558	7.6
775.42365	1.4
779.40594	2.4
791.41711	25.6
792.41571	3.1
801.43500	1.1
831.44720	2.8
859.47699	5.6
877.48352	100.0
878.48486	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	877.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.6
67.05499	2.9
69.03424	1.8
69.07060	1.6
70.90119	0.4
71.04979	1.1
71.74751	0.4
73.02911	2.1
79.05492	4.0
81.03424	0.5
81.07049	3.1
83.08611	0.8
85.02894	3.8
86.09716	0.5
91.03950	1.7
91.05474	2.9
93.07034	3.2
95.04154	0.4
95.04945	1.2
95.08590	2.1
97.02887	3.2
97.06509	0.4
97.10169	0.5
99.04464	1.0
101.02358	1.3
101.66972	0.4
101.95619	0.4
105.07014	2.1
107.08575	1.9
107.13913	0.3
108.01847	0.3
109.02838	0.4
109.10152	0.9
117.07005	1.2
117.69575	0.4
119.08575	2.0
121.10165	0.8
125.09554	0.4
127.03877	0.7
127.27161	0.4
129.05461	0.7
131.08586	0.7
133.10123	1.0
133.48398	0.4
135.11649	0.5
140.54445	0.4
145.10085	0.5
147.08014	0.4
147.11690	0.7
149.13243	0.5
159.11688	0.8
174.35608	0.4
184.07314	1.8
184.88600	0.4
185.04250	0.7
223.13188	0.4
229.14468	0.4
243.08388	2.7
301.08942	2.0
313.08975	0.4
315.10446	0.5
316.59174	0.4
322.49969	0.4
365.23038	2.5
383.17288	0.4
385.18594	0.8
439.19495	0.9
465.20740	1.1
481.20245	0.6
535.28680	4.4
541.22321	0.9
551.28021	1.3
567.26727	0.6
583.30750	3.6
655.33289	0.7
711.38080	0.5
749.40149	1.1
775.40991	0.6
789.42157	0.6
791.28168	0.6
791.41742	8.3
792.41254	0.6
859.47632	1.7
877.51752	100.0
878.51245	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	878.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	11.4
67.05164	1.7
67.05497	20.4
69.03419	3.4
69.07066	20.1
71.04987	3.4
71.08612	1.1
72.17894	1.0
73.02904	4.6
75.59484	1.2
79.05488	19.3
81.03406	8.6
81.07047	24.3
83.01337	5.1
83.04976	6.7
83.08127	1.2
83.08616	16.8
85.02896	16.3
89.05995	1.0
89.17726	1.1
91.03930	8.6
91.05470	11.6
93.07030	23.1
95.04961	6.3
95.08597	16.8
97.02895	8.0
97.06511	4.6
97.10150	5.9
99.04432	3.4
105.06998	6.2
107.04929	3.7
107.08573	12.3
109.06506	4.4
109.10136	5.5
111.04432	2.2
111.08067	2.6
111.11714	2.3
117.07011	5.0
119.08544	5.5
121.06477	2.9
121.10128	10.8
123.08045	4.3
123.11655	2.4
125.05976	1.9
125.09586	1.6
127.03896	2.9
130.07785	1.5
131.08560	2.5
133.10141	1.6
135.11658	14.5
139.11235	1.0
145.04942	3.9
145.10097	10.5
149.13156	2.1
153.12718	1.8
163.06032	3.4
163.11163	14.2
181.12248	1.9
184.07291	1.7
191.10670	1.5
209.11690	3.8
219.21074	1.2
227.12836	2.8
237.99855	1.1
283.15366	100.0
311.25754	63.6
312.25885	1.5
320.15976	1.9
439.19363	1.1
465.20691	2.3
517.35382	1.2
519.36774	45.1
520.36938	3.4
550.26770	1.4
663.33069	2.3
664.33826	5.0
708.39532	1.5
732.39893	1.7
750.39502	4.5
774.40326	1.4
791.41022	3.0
792.41608	16.8
878.48273	11.3
879.47174	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	878.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.9
65.03951	1.6
67.05497	20.0
68.19200	1.0
69.07046	7.8
70.09396	1.0
70.55454	1.7
71.08621	13.8
71.25684	1.0
73.02898	1.1
79.05485	29.6
79.05945	1.6
81.03413	3.7
81.07043	21.5
83.04970	6.8
83.08601	6.0
85.02898	2.9
85.06526	1.4
85.10171	6.2
91.03973	1.6
91.05466	26.0
93.06450	1.6
93.07033	26.5
93.26134	0.9
93.32365	1.0
95.04960	11.8
95.08594	18.0
97.02886	2.9
97.06534	1.6
97.10145	3.6
105.04525	2.1
105.07016	16.0
107.04956	2.7
107.08598	5.8
109.06488	3.0
109.10155	5.4
117.06988	4.0
119.08581	10.1
123.08089	2.4
123.11665	1.8
128.06244	1.3
129.06978	7.5
133.10114	3.9
143.08563	2.7
145.10110	3.6
147.11678	14.3
161.09621	1.9
161.13220	5.0
163.05994	1.2
171.11655	9.7
189.12775	3.8
207.13792	13.4
281.17450	49.4
282.17883	1.6
310.99805	1.0
313.27310	39.3
314.27728	1.9
339.04202	1.1
519.40399	100.0
520.40588	6.4
583.26721	1.4
746.05817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02664	1.0
61.02926	6.0
67.05508	6.9
69.03425	3.8
69.07075	3.5
71.41653	1.0
73.02912	4.8
79.05492	7.3
81.03440	3.3
81.07055	6.4
83.08620	1.7
85.02895	6.1
86.09718	1.5
91.03957	4.2
91.05482	4.2
93.07048	4.4
95.04962	2.1
95.08629	2.8
97.02890	6.9
97.10198	1.2
97.20398	0.9
99.04459	1.2
101.02389	1.8
105.07051	2.8
107.08617	3.2
109.10169	3.4
117.07028	1.9
119.08620	2.8
123.11755	1.1
125.09623	2.0
126.37670	1.1
127.03927	2.0
131.08595	1.6
133.10124	1.8
135.11673	1.4
145.10184	1.1
147.11682	2.4
149.13287	1.1
156.49860	1.0
184.07344	3.5
185.04242	2.0
203.05576	1.0
221.98143	1.1
243.08351	5.3
301.09055	3.0
315.10632	1.1
351.21362	5.0
373.11041	1.6
377.23227	1.3
385.18051	2.5
407.24222	1.4
413.17975	1.3
463.61630	1.1
465.21039	10.8
481.05292	1.2
499.21411	1.5
513.27008	1.1
525.23016	4.8
532.74542	1.2
535.28796	1.8
551.28479	2.4
569.29291	19.6
573.73077	1.1
607.31134	2.2
609.32776	1.6
631.38000	1.3
677.38049	2.0
695.39441	3.1
707.39630	4.0
763.42468	3.3
781.43427	4.1
793.43280	100.0
794.43890	8.5
861.49811	13.2
879.50183	64.3
880.51239	5.9
897.63574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.3
67.05498	5.6
69.03429	2.9
69.07059	2.9
69.32513	0.4
71.05000	0.5
71.99252	0.4
73.02911	2.5
79.05486	4.0
81.03420	2.0
81.07053	6.3
83.04966	0.7
83.08627	1.0
85.02900	4.4
86.09726	0.7
87.04492	0.5
90.49379	0.4
91.03959	2.0
91.05472	3.2
93.07042	3.7
95.05003	1.7
95.08592	2.5
97.02883	4.0
97.03383	0.5
97.06551	0.7
97.10186	1.3
98.23512	0.9
99.04469	0.7
101.02412	1.5
105.07051	1.8
107.08580	2.5
109.02899	0.8
109.06531	0.7
109.10152	2.7
111.05769	0.4
117.07025	0.8
119.08611	1.7
121.10197	1.4
123.08112	0.4
125.09666	1.3
127.03942	1.1
131.08577	1.2
133.10185	1.1
135.11731	0.8
145.10155	0.9
149.09666	0.5
149.13332	0.7
173.11827	0.5
184.07339	2.6
185.04303	0.5
197.42279	0.4
209.15617	0.4
217.55769	0.4
229.14391	0.8
243.08385	2.9
259.63678	0.4
291.19565	0.6
301.09271	0.6
306.39554	0.5
323.42447	0.4
333.20337	2.1
351.21292	2.4
389.23337	0.4
407.23959	0.5
413.17529	0.5
439.19778	0.9
453.21033	0.8
469.20743	0.5
471.21976	0.6
519.33179	0.6
520.33618	0.9
551.28217	7.4
569.29321	8.4
781.42847	0.7
879.50696	100.0
880.50922	7.7
880.66217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02633	0.8
61.02919	11.8
65.03944	0.6
67.05498	12.9
69.03418	2.3
69.06293	4.1
69.06663	1.1
69.07064	6.5
69.96554	0.5
71.04974	2.5
71.08622	16.5
73.02910	4.3
73.77848	0.6
79.05485	12.2
81.03413	7.6
81.07047	17.4
83.01342	6.9
83.04971	8.6
83.08611	13.0
85.02894	15.3
85.10169	10.1
89.06007	1.0
90.38730	0.5
91.03944	8.1
91.05472	9.1
93.06438	1.0
93.07030	15.3
95.04942	4.6
95.08598	16.2
96.08851	0.5
97.02887	9.9
97.06524	2.8
97.10160	3.5
98.22717	1.6
99.04441	2.0
103.07555	1.1
105.04505	0.9
105.07021	5.1
107.04945	4.7
107.08588	8.1
109.02911	0.8
109.06501	4.5
109.10146	6.4
111.04420	1.4
111.08039	1.3
115.03856	1.0
117.07008	5.7
119.08588	5.2
121.06480	3.1
121.10108	4.6
123.04371	0.7
123.08033	5.2
123.11684	1.4
125.05987	0.7
127.03891	2.9
129.07014	1.2
131.08548	1.9
133.10075	1.2
135.08090	1.1
135.11667	8.0
137.09563	0.9
145.04958	3.7
145.06471	1.0
145.10101	9.0
145.12379	0.6
147.08023	1.2
149.09583	0.8
153.12709	1.8
155.08504	1.1
163.05992	3.6
163.11157	15.7
163.12436	1.3
173.09615	2.3
181.12234	2.2
191.10623	1.4
209.11676	4.3
209.13449	0.6
227.12723	2.4
239.23738	1.2
257.24649	2.2
268.82654	0.6
273.36508	0.7
283.15369	100.0
284.15750	3.6
313.27328	67.6
314.27643	2.1
521.38324	50.2
522.38641	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.0
65.03918	0.6
67.05495	13.8
69.03397	1.3
69.06715	0.6
69.07060	8.0
69.37785	2.8
71.04968	1.5
71.08627	16.3
71.81445	0.5
73.02872	1.8
79.05485	14.7
80.34757	0.6
81.03409	2.9
81.07051	16.7
83.01327	0.8
83.04959	2.9
83.08617	11.0
85.02886	5.3
85.06501	1.1
85.10179	8.7
85.35436	0.6
89.06013	0.7
91.03959	3.0
91.05486	4.5
93.07040	22.3
94.89828	0.5
95.04964	5.7
95.08602	30.3
97.02897	4.3
97.06480	2.2
97.10175	3.4
99.04430	3.7
103.05458	0.8
103.07540	0.6
105.04510	0.9
105.07019	4.5
107.04940	5.8
107.08582	16.6
109.06474	1.4
109.10140	6.6
111.04375	0.8
111.08031	0.8
113.15625	0.6
117.07008	5.6
119.08578	7.1
121.06505	3.9
121.09378	0.7
121.10146	8.1
123.11665	1.0
125.05914	1.9
127.03911	1.0
130.07732	0.9
131.04912	0.5
133.10081	1.5
135.08044	0.6
135.11687	29.3
137.13184	0.9
139.07446	0.9
139.11208	0.6
143.08542	0.9
145.04918	1.3
145.10112	17.5
147.08020	0.6
151.14746	0.6
152.97736	0.6
163.05994	0.9
163.11171	37.8
181.12233	7.1
181.68573	0.6
184.07260	1.0
208.05988	0.7
209.11707	1.6
227.12766	38.0
239.23665	1.2
249.02383	0.6
257.24673	1.3
269.77383	0.6
283.15372	85.3
284.15646	2.9
313.27335	80.4
314.27567	4.2
446.74445	0.6
510.98630	0.7
521.38336	100.0
522.38538	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	880.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	8.9
65.03932	1.4
67.05502	21.6
67.05860	1.1
69.03430	3.5
69.07063	20.4
69.25075	0.5
71.04984	3.2
71.08617	2.4
73.02911	2.8
79.05038	1.1
79.05486	15.3
79.87376	0.5
81.03410	35.7
81.07051	26.6
83.04974	10.2
83.08614	21.1
85.02898	25.1
85.03412	1.2
85.06544	2.0
87.04493	0.5
91.03962	6.6
91.05479	15.6
93.07040	16.1
93.15491	0.6
95.04964	13.3
95.08596	17.3
97.02887	7.7
97.06508	3.5
97.10166	8.5
99.04432	0.9
99.08089	0.9
102.74659	0.5
105.04552	0.7
105.07018	12.3
107.04958	4.0
107.08595	7.7
109.06483	2.9
109.10157	5.1
111.04436	1.7
111.08064	5.8
111.11722	1.3
113.05981	1.3
117.06947	0.8
119.08570	10.3
121.06511	1.0
121.10137	13.8
123.08057	1.4
123.11716	2.9
125.09660	1.3
127.03902	2.6
129.06996	5.7
131.08548	6.9
131.15707	0.6
133.06441	1.7
133.10120	6.8
135.11685	6.0
137.09621	0.5
137.13254	0.9
142.07768	1.7
145.04948	2.3
145.10104	1.6
147.08028	2.1
147.11685	9.1
149.09630	4.2
149.13257	1.8
157.10138	8.4
163.06039	2.5
163.11127	0.8
165.12755	1.3
175.11151	6.7
177.16472	0.7
184.07394	1.1
193.12219	23.4
194.12692	0.7
211.13272	42.7
211.88400	0.7
212.13554	0.8
237.22209	1.7
237.28937	0.8
267.15875	17.2
281.78363	0.5
285.16940	58.7
286.17303	0.9
311.25772	57.7
312.26169	2.0
358.91092	0.6
429.33649	0.7
503.37317	12.4
521.38336	100.0
522.38434	4.5
601.52344	0.7
626.76776	0.6
692.66986	0.7
764.56964	0.7
813.19312	0.7
880.51343	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	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.7
65.03899	1.3
67.05499	19.8
69.03426	2.7
69.07062	19.2
69.17807	2.0
71.04979	2.6
71.08586	1.3
73.02905	2.7
79.05486	14.3
81.03410	29.0
81.07050	23.3
81.07504	0.5
83.04972	7.6
83.08615	20.2
85.02894	17.4
85.06501	1.6
85.10134	0.8
85.25726	0.4
91.03944	5.1
91.05474	14.2
93.07034	14.4
95.04961	13.4
95.08597	15.8
97.02887	5.3
97.06522	3.2
97.09607	0.7
97.10158	9.4
99.04419	0.9
99.08047	1.0
105.04479	0.8
105.06371	0.5
105.07024	9.9
107.04937	3.3
107.08583	7.3
109.06525	2.2
109.09534	0.5
109.10143	5.5
111.04420	1.2
111.08070	6.4
111.11706	2.2
112.07559	1.0
113.05939	1.5
115.05405	0.5
117.06975	1.2
119.08568	7.9
121.06425	0.7
121.10134	12.8
123.08032	1.6
123.11699	3.1
125.09574	1.5
127.03854	1.8
128.06140	0.4
129.06987	5.0
131.08551	4.6
133.06441	1.3
133.09346	0.5
133.10115	5.5
135.11696	6.0
137.09579	0.7
137.13197	1.6
139.11082	0.6
142.07678	1.4
145.04890	1.6
145.10049	0.7
147.07971	1.2
147.11670	7.3
149.09625	3.7
149.13246	2.2
157.10103	6.5
161.09451	0.5
163.05951	1.7
163.14830	1.0
165.12675	1.9
175.11172	6.7
178.04192	0.4
184.07306	1.1
193.12221	19.4
194.12547	0.6
194.61702	0.4
196.10310	0.5
211.13268	25.0
212.13599	0.5
212.97484	0.5
219.21046	1.3
229.14188	0.6
237.22127	2.4
267.15887	11.5
273.14334	0.5
285.16940	37.8
286.17297	1.2
311.25763	67.4
312.26105	2.0
503.37274	16.1
504.37692	1.2
521.38330	100.0
522.38617	5.2
752.41010	1.4
794.42261	0.9
880.51508	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	882.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.1
67.05498	19.2
68.05799	0.6
69.03413	1.5
69.07054	4.6
69.67060	1.9
71.04987	1.5
74.91087	0.5
77.03883	0.5
79.05483	26.0
81.03410	34.3
81.07044	17.2
82.03712	0.7
83.04974	5.7
83.08611	9.0
85.02885	2.1
85.06556	0.9
91.03956	0.9
91.05472	26.6
93.07035	27.5
95.04961	17.6
95.08598	9.3
97.02868	2.1
97.06514	2.4
97.10165	2.2
99.08148	0.5
103.05464	0.5
105.04494	1.6
105.07018	17.4
107.04939	4.2
107.08582	6.9
109.06522	2.6
109.10129	2.5
111.04426	1.0
111.08081	3.8
113.06023	0.6
115.05437	1.5
117.07011	3.9
119.08566	12.5
121.06506	2.1
121.10144	2.8
123.04429	0.8
123.08069	2.6
128.06238	1.2
129.06998	9.4
131.08572	3.6
133.06499	1.5
133.10117	6.1
135.11707	0.7
137.09557	0.9
142.07780	1.1
143.08568	3.5
145.10117	5.1
147.08031	2.1
147.11664	16.8
147.12828	0.8
147.31372	0.5
149.08481	0.5
149.09639	1.8
149.13124	0.5
157.10114	5.3
161.09631	1.6
161.13248	4.2
163.11194	1.3
165.12817	0.6
171.11670	9.9
175.11150	4.0
189.12717	4.9
193.12209	9.6
201.96098	0.6
207.13783	9.7
211.13283	1.2
249.14868	0.7
267.15875	33.2
268.16199	1.0
281.17447	40.6
282.17786	1.3
421.25940	1.2
473.28928	100.0
474.29224	4.9
491.29828	3.1
515.29742	3.3
539.29614	0.8
581.31042	1.9
630.05731	0.6
671.96790	0.7
677.74323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.6
65.94807	0.5
66.34995	0.4
67.05504	12.5
69.03426	3.0
69.07063	6.2
71.04955	1.5
71.08627	14.4
73.02921	2.5
79.05059	0.5
79.05488	9.1
81.03412	24.1
81.07050	17.3
83.04979	6.0
83.08616	13.2
85.02904	15.0
85.06519	1.2
85.10178	8.2
87.04422	0.5
89.05977	1.1
91.03960	4.4
91.04953	0.9
91.05474	13.4
93.07040	5.0
95.04427	0.7
95.04962	9.4
95.08597	14.8
97.02893	4.7
97.06476	1.3
97.10163	3.7
99.04438	0.6
99.08049	0.8
103.07607	0.6
105.07028	8.1
107.04962	2.9
107.08553	2.7
109.06494	2.0
109.10133	5.7
111.04418	0.6
111.08066	3.9
111.11717	0.6
113.05965	1.3
119.08564	7.2
121.06459	0.6
121.10141	3.6
123.08031	0.9
123.11665	2.2
125.09565	0.6
125.13216	0.5
127.03840	1.7
128.06264	0.5
129.06992	4.0
131.08556	4.6
133.06500	1.0
133.10121	4.4
137.13214	1.1
142.07765	1.2
145.04921	1.5
145.10132	0.5
147.08025	1.6
147.11673	6.0
149.09595	2.8
157.10120	6.4
163.06007	2.1
163.11018	0.6
165.12752	1.1
175.11148	6.1
193.12228	16.6
194.04869	0.6
197.84157	0.5
211.13278	23.7
212.13513	0.5
239.23703	1.3
257.24802	1.3
267.15906	11.9
285.16946	34.9
286.17264	0.8
313.27344	70.4
314.27673	2.6
505.38843	15.9
506.39319	1.3
523.39905	100.0
524.32806	0.8
524.40204	5.8
573.81824	0.6
909.32770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55996	1.8
66.09332	1.9
67.05497	17.3
69.03423	4.7
69.07068	8.3
71.04984	3.8
71.08620	20.6
79.05484	15.8
81.03413	45.8
81.07050	26.1
81.27554	1.8
83.04989	10.3
83.08609	23.9
85.02909	27.9
85.10166	13.6
87.04476	3.2
91.03954	4.7
91.05479	18.2
93.07026	13.2
95.04961	18.1
95.08604	22.4
97.02898	10.6
97.10168	6.4
98.23412	6.7
103.07568	2.0
105.07017	13.5
107.04948	5.7
107.08610	4.1
109.06522	2.4
109.10143	10.2
111.08096	6.4
119.08564	13.3
121.10112	5.1
123.11673	4.1
127.80905	1.8
129.07004	9.6
131.08563	7.0
133.06505	2.8
133.10124	9.4
145.04912	2.8
147.07979	2.8
147.11641	11.9
149.09674	5.9
157.10042	12.9
159.44299	2.1
159.45744	1.8
167.86269	1.8
175.11172	13.4
189.05203	1.9
193.12234	33.1
211.13271	48.5
267.15912	16.8
285.13757	4.2
285.16904	66.4
313.27353	68.1
314.27927	2.3
505.38675	16.9
523.39941	100.0
524.40192	7.6
858.75238	2.1
882.49298	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	884.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.6
67.05496	10.9
69.03417	2.0
69.07056	2.9
71.01346	1.0
71.04980	1.7
73.02937	0.6
79.05486	11.1
81.03410	30.1
81.07047	11.2
83.01323	2.3
83.04975	5.4
83.08610	9.3
85.02899	4.6
88.23769	0.5
91.03952	2.4
91.05473	11.6
93.07036	13.1
95.04967	12.2
95.08598	5.4
97.02870	3.1
97.06523	2.5
97.10155	4.3
99.04454	1.4
103.05416	0.7
105.07028	8.2
107.04941	6.2
107.08575	8.3
109.02851	0.9
109.06487	3.1
109.10125	3.5
111.04427	2.4
111.08070	3.1
113.05978	0.5
115.05442	0.8
117.07000	4.6
119.04985	0.8
119.08572	7.9
121.06483	2.9
121.10116	4.2
123.04431	1.1
123.08082	3.7
125.05968	0.8
125.09616	3.9
128.06219	0.6
129.06990	5.1
131.04901	1.3
131.08560	4.9
133.06502	2.2
133.10121	2.5
135.04420	0.6
135.08055	2.3
135.11684	4.3
137.05991	0.7
137.09494	1.2
141.06932	0.7
142.07755	0.9
143.08560	0.6
145.04916	1.1
145.06487	2.2
145.10086	6.0
147.04413	1.4
147.08044	2.0
147.11624	2.8
149.09628	2.1
153.01701	0.5
153.09123	0.8
153.12741	1.7
155.08562	1.3
157.06421	1.0
157.10107	4.4
159.11732	0.6
161.05923	2.9
161.09621	1.1
163.06012	0.8
163.09920	0.8
163.11171	8.7
165.12672	1.0
169.10185	0.8
171.08069	1.1
173.05969	0.8
173.09596	3.0
173.11769	0.5
175.11160	3.2
180.29066	0.5
181.10056	0.8
181.12241	1.2
185.09697	0.6
185.13235	0.7
187.11133	0.8
189.09192	0.9
189.11238	1.8
191.10661	1.6
193.12210	7.4
199.11482	0.6
205.12212	1.4
207.02925	0.5
207.11690	0.6
209.09898	0.5
209.11732	2.1
211.11266	0.7
211.13239	1.3
213.12817	0.9
223.13338	0.6
225.12682	0.6
227.12643	2.9
229.12230	0.7
231.13820	1.6
243.13904	1.0
249.14967	0.9
265.14261	0.8
267.15906	15.9
269.15305	0.8
271.13330	1.3
273.14914	1.9
283.15341	15.0
285.17090	0.8
288.95898	0.5
289.14301	3.7
301.14349	0.7
303.15976	0.7
337.21539	0.9
347.19647	0.6
355.22693	2.2
365.21024	3.0
373.23721	0.6
383.22134	13.3
401.23291	5.8
419.24313	1.5
431.23907	1.4
439.24783	1.6
457.25781	24.2
458.25986	1.4
475.26868	100.0
476.27234	5.4
493.27917	11.2
494.28308	0.7
495.98624	0.5
499.26434	0.7
507.29575	0.9
517.27905	2.4
541.27844	1.1
563.94208	0.5
571.28668	0.7
583.29016	1.7
601.30499	0.9
619.30536	1.2
824.38660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90151	1.1
65.44340	1.2
67.05498	50.6
69.03415	2.7
69.07062	7.6
70.92617	1.6
71.04979	15.2
71.08268	1.9
71.08625	18.4
73.02921	1.8
75.51263	1.1
79.05485	7.4
81.07051	17.2
83.04984	2.7
83.08611	9.1
85.02898	8.6
85.06542	2.2
85.10170	10.7
91.03944	4.1
91.05463	7.1
92.24647	1.1
93.07023	8.0
95.08601	18.5
97.02876	5.1
97.06548	1.3
97.10172	4.0
107.08585	3.5
109.10146	47.5
110.10476	1.3
111.08092	1.9
119.08568	6.5
121.10162	1.7
123.11689	1.7
127.03873	2.0
135.11691	7.0
137.09590	8.0
145.04961	2.1
145.10133	2.9
148.64847	1.1
155.10608	2.0
163.06097	2.2
163.11177	1.9
169.12267	1.5
173.11702	8.5
181.12283	1.6
194.93105	1.4
211.98997	1.3
239.23616	1.5
255.15938	4.2
287.18451	17.4
313.27289	15.9
467.37256	77.2
468.37747	3.3
481.38577	2.5
493.39108	6.1
525.41449	100.0
526.41650	4.0
592.91449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43896	0.4
67.05492	1.9
67.85120	0.4
69.03414	2.5
69.07075	0.9
71.08629	1.5
73.02907	2.8
79.05491	1.6
81.03414	1.7
81.07058	1.7
83.08604	1.0
85.02901	4.5
85.10194	0.9
91.03940	2.3
91.05480	1.0
93.07073	1.6
95.08599	2.3
97.02890	4.7
97.10159	0.5
99.04473	0.8
101.02379	1.0
107.04994	0.7
107.08609	1.4
119.08553	0.5
121.10143	0.7
127.03947	1.1
135.11703	1.6
145.04961	0.4
145.10121	0.8
163.11223	2.4
185.04332	0.6
203.05276	0.6
212.13631	0.4
227.12645	2.4
243.08345	2.1
249.10947	5.3
305.13712	1.4
313.27463	1.2
347.09439	1.5
365.10577	0.5
405.13724	4.9
453.91504	0.4
455.69919	0.5
467.18878	8.7
467.25586	0.6
482.39096	0.5
497.30933	4.7
524.40588	0.7
525.40778	0.7
561.37683	0.6
572.78271	0.5
625.19562	0.4
629.24017	6.7
659.36047	4.7
701.06873	0.5
723.42938	2.5
753.35480	0.4
859.20557	0.5
885.48041	100.0
886.47974	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	885.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.4
69.03424	6.2
69.07069	1.2
69.27234	0.8
69.27641	0.9
71.01357	0.9
71.04994	1.1
71.08627	1.7
72.95128	0.3
73.02911	6.8
76.27039	0.3
79.05488	1.5
81.03407	4.0
81.07052	2.8
81.51562	0.3
83.01339	0.4
83.04984	0.9
83.08619	1.2
83.42405	0.3
84.78247	0.3
85.02897	9.2
85.10192	1.2
87.04487	0.8
88.01727	0.3
89.36758	0.3
91.03949	5.1
91.05492	1.3
93.07010	1.8
95.04974	0.5
95.08607	2.1
96.14661	0.2
97.02887	9.6
97.03476	0.6
97.06580	0.5
97.10165	0.7
98.03249	0.3
98.22680	0.7
99.04474	1.1
101.02370	2.8
103.03950	0.5
105.07050	0.7
107.04970	0.7
107.08624	0.6
109.02886	1.3
109.06503	0.7
109.10166	1.1
111.04472	0.4
115.03951	0.8
117.07063	0.6
119.08639	0.7
121.10165	0.7
123.08130	0.6
123.11716	0.4
127.03906	2.2
131.08583	0.4
135.11708	0.5
145.05000	0.6
145.10155	1.0
163.11136	1.5
185.04312	1.2
187.72977	0.3
198.29861	0.3
203.05386	1.0
209.11882	0.4
227.12747	0.4
239.23911	0.3
243.08316	2.3
249.11024	0.3
259.08197	0.3
283.15579	0.8
313.27454	0.9
347.09424	2.5
363.09277	0.4
365.10605	0.9
405.13678	5.5
466.82556	0.3
467.18835	9.2
470.60931	0.3
497.30762	4.7
629.23987	6.8
629.33478	0.5
630.24146	0.5
659.36157	4.5
723.42798	1.8
733.04382	0.4
885.48041	100.0
886.48218	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	886.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.8
65.08304	0.9
67.05501	45.2
69.03419	8.5
69.07067	10.8
70.16755	2.7
71.01350	1.8
71.04987	5.4
73.02915	9.6
79.05487	36.0
79.05949	2.0
80.06280	1.5
81.03410	27.8
81.07054	31.6
82.04185	8.7
83.01360	1.9
83.04977	18.4
83.08615	15.8
84.02117	2.1
84.05804	2.0
85.02898	16.7
85.06541	2.9
91.03952	10.0
91.05471	30.4
92.06274	0.9
93.07043	23.1
94.04221	1.5
94.07827	2.4
95.04961	26.1
95.08607	13.4
96.05759	1.4
97.02885	13.7
97.06519	10.7
97.10163	24.0
98.07288	8.3
99.04444	2.4
99.08115	1.9
101.06012	0.9
102.92992	1.1
105.04496	1.5
105.07014	14.8
107.04951	11.6
107.08591	19.6
109.02891	2.3
109.06498	5.4
109.10153	18.8
109.80406	1.0
110.07314	0.9
111.04443	3.4
111.08063	7.3
113.05991	1.5
115.05420	2.0
116.04702	16.9
117.07008	6.6
119.08572	16.1
121.06497	4.9
121.10132	6.7
122.10910	1.2
123.04437	2.3
123.08070	8.8
125.06011	1.5
125.09626	28.5
125.10505	1.9
126.10471	1.3
127.03925	3.6
127.07565	1.4
127.11146	1.2
129.05469	44.6
129.06918	6.7
130.07785	1.5
131.08554	8.7
133.06525	1.3
133.10127	9.3
135.08066	5.4
135.11667	7.2
136.08731	1.2
137.09613	4.9
143.07027	9.5
143.10675	3.9
145.04967	2.8
145.10115	8.0
147.08067	3.5
147.11673	7.1
149.09607	3.9
152.51845	1.1
153.09152	3.6
153.12772	3.2
155.08598	1.3
157.08611	20.9
157.10115	6.3
158.05740	2.6
161.09639	1.4
163.06070	3.1
163.11165	14.0
164.11900	2.9
165.12752	1.9
171.06549	2.0
171.10153	6.6
173.09636	3.2
173.11719	7.0
175.11172	5.2
181.12186	5.9
185.11696	1.8
189.11200	12.2
189.12793	1.0
191.10684	3.9
192.11446	2.2
193.12222	8.0
198.45009	0.9
199.13277	15.6
200.14104	3.7
201.14764	1.9
202.77448	1.0
209.11713	10.9
211.13242	5.6
213.11183	1.1
217.14346	2.6
218.34119	1.1
223.13162	1.0
227.12750	22.1
229.14316	7.7
242.15105	1.1
247.13287	1.2
253.14171	1.4
255.15945	3.3
267.15906	16.5
268.16342	1.1
283.15408	17.3
283.18439	1.2
284.16168	2.3
285.16943	2.7
301.16449	100.0
302.16858	3.5
326.24573	1.2
355.17688	1.6
369.22589	1.4
425.25574	1.8
438.26376	1.3
443.26538	3.7
455.26343	10.7
459.27249	5.5
475.26770	4.0
476.27194	3.0
477.28058	9.1
491.26566	1.3
493.28146	5.6
509.27460	7.6
510.28424	5.9
527.28461	70.4
528.28625	2.5
551.06567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.2
66.27686	0.7
67.05499	16.9
69.03426	2.8
69.07079	3.8
69.51247	3.3
69.51586	1.0
71.04977	2.5
73.02914	0.9
78.94300	0.7
79.05036	1.3
79.05492	17.8
81.03413	76.9
81.07052	16.3
83.04977	8.1
83.08611	21.2
85.02901	12.6
85.06528	2.2
91.03952	1.4
91.05474	22.1
93.07031	12.7
95.04960	27.1
95.08604	5.9
97.02884	3.5
97.06525	1.8
97.10168	5.2
99.04472	1.0
99.08083	1.0
105.07024	15.6
107.04930	7.0
107.08590	7.2
107.13394	0.8
109.06505	4.9
109.10165	2.2
111.04427	1.8
111.08070	7.5
113.06023	1.0
115.05449	1.8
116.16103	0.7
117.06979	3.6
119.04935	1.0
119.08568	15.7
121.06493	4.0
121.10131	6.4
123.04412	1.4
123.08076	2.6
125.09634	3.1
128.06273	0.7
129.06996	11.0
131.04887	0.8
131.08556	10.8
133.06508	3.1
133.10104	6.9
135.08017	1.4
135.11627	0.8
137.09618	2.1
141.06982	0.8
142.07762	3.2
143.08601	1.9
145.04976	1.0
145.06465	4.9
145.10120	2.4
147.08054	3.4
147.11687	9.9
149.09598	5.4
157.06496	1.3
157.10098	11.5
159.08041	1.3
159.11736	0.9
161.06053	1.0
163.06018	0.9
163.11180	0.9
165.12772	2.3
169.10124	1.5
171.08034	1.8
175.11165	12.8
189.11205	1.0
189.12708	1.0
193.12218	28.0
199.11131	1.0
206.83997	0.8
211.13234	13.1
213.12816	1.1
219.13515	0.9
219.73138	0.8
229.14357	1.6
233.15479	1.0
237.14703	0.8
249.14893	1.8
255.13771	2.8
257.15079	1.0
267.15887	100.0
268.16296	2.9
273.14819	4.7
285.16956	12.5
309.16843	1.1
319.15594	0.9
339.23138	1.2
341.21121	1.8
349.21579	2.5
367.22690	7.8
385.23657	8.2
403.24847	2.2
415.25021	0.9
433.25864	17.2
434.26074	1.0
441.26370	6.5
459.27386	78.6
460.28033	3.8
477.28464	47.1
477.34113	0.9
478.28799	2.0
491.30392	1.0
501.28391	2.4
509.31378	1.5
519.29315	2.8
543.29681	0.9
585.30139	2.0
603.31226	1.9
621.32306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.4
67.05502	100.0
69.03421	7.9
69.07063	18.5
71.01349	1.5
71.04990	7.3
72.90833	1.1
73.02920	2.6
77.03901	1.4
79.05489	45.7
81.03421	17.2
81.07052	71.0
83.04975	16.1
83.08617	13.8
85.02901	11.8
85.06535	8.5
87.04464	3.1
90.56611	1.2
91.05479	59.4
93.06444	2.1
93.07037	41.4
95.04968	16.5
95.08602	20.6
97.02887	5.6
97.06536	8.7
97.10165	13.0
97.39956	1.1
98.22626	2.6
99.04453	2.3
99.08103	2.2
105.04507	2.0
105.07027	46.7
105.07738	2.3
107.04943	9.1
107.08588	41.5
109.06502	10.4
109.10149	91.2
111.04457	3.1
111.08078	4.5
113.06013	3.7
115.05472	1.5
117.07013	8.2
119.04969	1.3
119.08573	18.3
121.06492	7.9
121.10110	7.1
123.08068	3.9
123.11706	9.5
125.09619	11.6
127.07536	2.4
128.06210	3.5
129.05495	3.7
129.07014	4.9
131.08560	13.7
133.06499	3.7
133.10121	63.3
135.08051	7.5
135.11707	6.5
137.09595	3.8
143.08536	6.2
143.10634	1.2
145.06470	1.9
145.10124	11.5
147.08066	4.5
147.11694	3.5
149.09631	5.1
151.11166	33.4
153.12790	2.0
155.08572	1.3
155.10684	2.2
157.08757	1.5
157.10117	2.9
159.08049	1.6
159.11749	1.5
161.09622	7.3
163.11208	7.0
169.12198	6.7
171.11641	2.9
173.09555	2.7
173.11713	9.4
173.13121	1.5
175.11198	4.5
177.09113	2.0
179.10670	3.3
181.12253	1.8
185.13327	1.2
189.12700	1.5
191.10696	1.6
193.12221	2.8
195.11705	1.7
197.11633	1.5
199.13289	3.6
209.11760	3.8
211.13188	1.6
215.12811	2.8
227.12814	3.3
227.18068	1.6
229.14322	22.3
235.16847	1.2
245.18954	3.2
251.12794	2.9
253.14333	92.2
254.14761	2.6
255.17384	2.8
263.19971	1.8
267.15759	1.5
273.18484	16.9
283.15753	1.8
291.19516	17.0
301.16428	5.0
347.22153	4.1
365.23242	18.1
395.24207	2.3
399.23740	12.7
419.50555	1.4
425.25369	11.7
440.72495	1.3
497.27371	1.8
501.32419	1.7
507.33420	1.3
519.33026	13.6
591.35608	1.6
595.34467	1.6
689.42523	15.8
886.47980	2.0
887.49292	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	886.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26822	0.6
65.03925	2.7
67.05498	58.9
67.57561	0.7
68.05818	0.6
69.03424	8.9
69.07061	27.3
69.85844	1.8
71.01342	0.9
71.04984	4.4
73.02905	1.8
77.03921	0.7
79.05486	31.3
81.03406	10.5
81.07048	33.4
83.04974	6.2
83.08614	12.2
85.02896	7.8
85.06529	2.5
87.04450	2.7
89.49530	0.7
91.05471	24.6
93.07034	22.9
95.04955	9.6
95.08021	0.9
95.08597	14.6
97.02877	10.8
97.06524	5.3
97.10157	18.0
98.23612	0.6
99.04365	0.6
99.08087	1.6
103.05414	0.9
105.03370	0.7
105.04498	1.2
105.06342	1.2
105.07018	15.8
106.53921	0.8
107.04950	8.7
107.08582	16.3
109.06508	4.1
109.10147	37.6
111.04414	1.6
111.08073	3.2
113.05992	0.8
115.05454	2.3
116.04707	0.9
117.07010	7.4
119.04945	1.2
119.08566	15.4
121.06500	4.4
121.10145	5.8
123.04421	1.5
123.08064	3.7
123.11696	1.6
125.09614	14.0
128.06207	1.3
129.05475	2.8
129.06995	3.3
130.07719	0.8
131.04869	0.9
131.08562	8.4
133.06491	2.9
133.10106	8.7
135.08018	5.1
135.11707	4.1
137.09612	4.7
143.08537	3.8
143.10677	1.6
145.06464	0.7
145.10114	7.7
147.08035	5.9
147.11655	4.0
148.81004	0.7
149.09554	3.6
149.13277	2.0
151.11147	2.6
153.09106	1.1
153.12697	1.7
155.08554	0.8
155.10600	2.4
157.08801	0.7
157.10092	3.1
159.07973	0.8
159.11668	2.8
161.09615	2.4
161.13231	1.4
162.10397	1.0
163.11163	6.8
165.09090	1.9
169.10107	1.6
169.12216	1.1
169.87820	0.8
171.10211	1.0
171.11708	1.8
173.09532	1.6
173.10179	0.9
173.11710	10.7
173.13074	1.0
175.11162	2.1
177.12715	1.6
179.10678	0.7
181.12225	1.2
183.10114	0.7
186.90334	0.7
187.11166	1.0
187.13293	0.9
189.11201	4.7
189.12708	1.1
191.10652	1.1
193.12274	2.3
195.13754	1.2
199.13266	5.9
205.12250	1.7
209.11629	3.3
211.13248	2.4
223.13257	13.5
227.12772	7.1
227.17918	0.8
229.14322	30.6
245.18900	1.5
249.14850	3.0
253.14301	4.8
257.14029	0.7
263.20078	0.7
267.15872	2.7
271.15512	1.2
273.18494	14.6
275.20117	1.4
283.15353	2.6
291.19507	100.0
292.19937	3.3
301.16470	6.8
345.53873	0.7
347.22177	1.2
349.23715	1.4
365.23190	33.8
366.23523	1.2
399.23703	11.8
458.84924	0.7
489.32095	2.1
507.33151	1.6
519.33124	27.4
519.40869	1.4
520.33600	1.5
573.33942	2.1
591.35010	4.7
609.36267	1.6
671.41193	0.7
689.42426	13.0
886.48816	1.4
887.50116	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	886.551
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29162	1.4
65.03931	4.7
67.05500	76.8
69.03416	12.8
69.07062	44.9
70.08150	2.8
70.08485	2.4
71.01330	1.9
71.04417	1.4
71.04996	10.5
71.37955	1.3
73.02893	1.6
77.03948	1.5
79.05486	64.5
81.03416	16.0
81.07052	69.5
83.04971	11.6
83.08613	21.3
85.02890	6.1
85.06524	2.5
91.05470	55.7
91.46528	1.4
93.07037	55.3
95.04962	22.3
95.08602	31.1
97.02882	11.7
97.06529	19.5
97.10165	22.1
98.23305	1.9
99.04404	1.7
99.08105	2.2
103.05442	2.5
105.04527	5.5
105.07021	38.9
107.04946	14.4
107.08584	40.3
109.02850	2.3
109.06521	10.0
109.10139	28.5
111.04476	2.7
111.08063	9.7
115.05454	3.8
115.07581	1.4
117.06997	20.2
119.04880	2.6
119.08567	30.6
121.06456	10.8
121.10129	13.1
123.04417	2.2
123.08051	8.8
123.11687	3.7
125.09615	19.0
128.06223	3.4
129.05466	2.6
129.06981	8.3
131.08559	24.5
133.06516	5.4
133.10121	22.2
135.08037	12.7
135.11646	8.2
137.09637	6.7
141.06998	2.7
143.08527	7.9
145.06514	3.1
145.10124	17.0
147.08041	10.7
147.11684	10.5
149.09615	12.0
149.13263	8.5
151.11171	5.5
153.09068	3.4
155.08553	3.3
157.10068	7.4
159.08066	5.2
159.11671	12.5
161.09616	6.5
161.13260	4.2
163.07515	1.7
163.11159	8.2
165.09001	2.4
165.12709	2.6
169.10074	3.3
171.10278	2.2
171.11710	4.9
173.09605	1.8
173.11729	4.6
173.13293	4.7
175.11180	3.9
177.12778	4.9
183.11693	4.5
185.09598	1.6
185.13264	3.4
187.11276	2.5
189.11209	7.9
189.12704	2.4
191.10670	1.4
191.14317	2.2
193.12248	4.0
195.13725	3.5
199.11174	2.0
199.14709	2.0
203.52757	1.9
205.12210	2.9
211.13217	1.6
213.16466	2.0
217.15808	1.6
223.13269	23.9
227.12782	16.1
229.14297	9.7
239.17992	1.9
245.19057	1.5
249.14854	3.7
253.14381	6.4
257.19000	6.4
263.20267	1.6
267.15921	3.3
269.17484	5.4
271.17014	2.1
273.18497	19.0
275.20071	21.2
289.18002	4.7
291.19513	94.9
292.19818	3.0
293.20984	1.7
309.20679	1.7
339.18347	1.7
347.22150	5.1
349.23636	14.5
365.23169	36.6
366.23538	2.0
377.24213	1.6
413.21762	4.3
461.28839	3.7
519.33148	19.4
523.34332	1.8
535.32379	2.2
541.35297	10.8
559.36255	100.0
560.36957	7.0
573.36951	1.5
617.99890	1.7
621.40973	2.0
639.42413	28.2
640.42957	2.1
671.45599	7.3
703.40118	11.6
733.95703	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.4
67.05496	7.0
68.05830	0.4
69.03424	4.1
69.07057	2.4
71.01369	0.5
71.04990	1.1
71.08647	1.7
73.02911	3.3
75.42752	0.3
79.05487	3.9
80.05819	0.4
81.03397	3.0
81.07050	5.2
82.27563	0.4
83.04986	1.0
83.08619	2.0
84.08955	0.4
85.02903	6.0
85.10184	1.0
87.04498	0.5
87.76011	0.4
91.03958	3.4
91.05482	3.1
92.05836	0.6
93.07062	1.7
93.16814	0.3
94.07397	0.9
94.79385	0.4
95.04983	1.3
95.08608	3.0
96.08952	0.4
97.02882	4.9
97.03373	0.3
97.06528	0.6
97.10187	1.3
98.10499	0.4
99.04448	1.0
101.02405	1.2
103.03930	0.5
105.07036	2.7
106.07375	0.5
107.04976	0.8
107.08597	2.4
109.02885	1.1
109.06519	0.8
109.10146	4.1
110.10530	0.5
111.08117	0.5
115.03976	0.5
117.07027	0.4
119.08572	1.8
121.10162	1.0
123.08047	0.8
125.09668	1.2
126.09979	0.6
127.03957	1.7
131.08577	1.1
133.10118	1.8
134.10521	0.5
135.08038	0.8
135.11737	0.6
137.09601	0.7
145.05011	0.7
145.10138	0.5
147.11726	0.7
149.09692	0.4
151.11205	0.5
151.82983	0.5
157.10127	0.7
163.11240	0.6
173.11752	0.8
175.11264	0.7
185.04288	0.9
193.12187	0.6
203.05286	0.5
211.13393	0.4
223.13367	1.0
224.13818	0.5
227.12947	0.7
229.14348	2.0
230.14734	0.6
243.08414	2.0
253.14511	1.3
273.18546	0.7
275.20023	0.6
291.19507	4.9
292.19876	2.6
301.16577	0.9
313.27451	0.7
347.09695	1.6
349.23828	0.6
365.10550	0.4
365.23077	2.0
366.23587	0.9
399.23807	0.4
400.24295	0.4
405.13562	3.8
423.81964	0.4
469.20532	4.0
487.56885	0.4
497.30838	5.3
519.32971	0.8
520.33398	1.9
528.37701	0.5
529.38361	0.4
631.25574	2.8
659.36084	6.1
659.46552	0.6
690.43140	0.8
725.44476	1.4
737.41675	0.5
887.49615	100.0
888.49805	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	887.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.7
69.03417	3.6
69.07072	1.5
70.84931	0.6
71.08639	0.6
72.44064	0.7
73.02906	3.1
79.05489	2.2
79.59234	0.6
81.03413	1.8
81.07046	4.4
83.08649	1.1
85.02898	6.2
87.03400	0.6
91.03953	3.1
91.05495	2.3
93.07059	2.4
95.04971	1.4
95.08609	1.9
97.02863	4.5
99.04408	1.0
101.02397	1.5
104.43303	0.6
105.07021	1.1
107.08611	1.6
109.02941	0.7
109.10181	0.6
110.65147	0.5
111.08072	0.6
119.08631	0.8
121.10166	1.0
127.03966	2.3
133.10143	1.0
150.33734	0.6
152.27464	0.6
193.12299	0.8
209.84879	0.6
243.08527	1.9
248.85986	0.6
251.12695	0.7
259.24054	0.5
261.22183	0.8
263.53967	0.6
269.17575	2.2
331.66479	0.6
335.25922	2.3
340.89484	0.7
347.09521	1.8
363.09027	0.7
365.10745	0.9
405.13708	4.5
411.71909	0.7
469.20355	6.2
497.30713	3.4
529.38800	6.8
566.91406	0.6
631.25635	6.5
648.20093	0.7
659.35620	4.0
676.89648	0.9
725.43848	1.3
887.49615	100.0
888.49841	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	887.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.9
69.03416	3.2
69.07039	0.6
71.04981	0.7
71.08640	1.6
73.02920	3.2
79.05494	2.1
81.03402	3.5
81.07047	2.6
83.08630	1.7
85.02905	6.2
91.03949	3.2
91.05507	1.8
93.07033	1.1
95.04977	1.2
95.08634	2.3
97.02310	1.0
97.02869	4.7
97.03391	0.5
99.04457	0.7
101.02406	2.0
105.07040	1.3
109.10171	0.9
111.08062	0.9
119.08608	1.0
121.10152	0.7
127.03985	1.7
129.07011	0.7
133.10204	0.8
139.06085	0.5
147.11696	1.0
151.07176	0.5
157.10234	0.7
181.62509	0.6
181.81155	0.6
185.04320	1.0
193.12292	1.8
203.05293	0.7
211.13309	1.0
221.34325	0.6
243.08504	2.0
251.12671	2.0
253.14404	1.1
307.15308	1.0
310.74850	0.5
313.27414	0.7
347.09604	1.7
363.09003	0.6
365.10669	0.7
405.13589	4.7
469.20334	8.9
497.30984	4.1
631.25482	7.1
659.36426	4.7
725.44092	3.0
739.79822	0.7
887.49567	100.0
888.49963	6.0
917.82813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.9
67.05497	100.0
69.03421	10.8
69.07060	29.8
69.62951	2.5
70.07447	0.9
71.01356	2.2
71.04984	7.1
71.58945	1.1
73.02915	2.9
77.03932	1.2
79.05486	54.0
80.05803	1.1
81.03405	18.6
81.03834	1.5
81.07047	70.8
83.04967	17.0
83.08614	20.0
85.02894	11.6
85.06538	6.5
87.04477	4.6
91.05466	43.9
93.06443	2.1
93.07031	42.5
95.04965	19.8
95.08595	32.9
97.02876	8.1
97.06517	14.4
97.10160	14.1
99.04440	2.4
99.08097	3.4
103.03882	1.2
103.05440	1.8
105.04515	2.8
105.07016	30.6
106.07339	1.2
107.04947	10.5
107.08579	28.7
109.02876	3.3
109.06511	8.4
109.10143	50.1
111.04456	3.5
111.08069	6.4
113.05996	1.0
113.09637	1.7
115.05456	3.4
117.07008	15.9
119.08568	24.6
121.06552	5.2
121.10136	16.0
123.08039	5.5
123.11695	3.2
125.09592	12.9
127.03928	4.0
127.05328	1.0
127.07590	1.2
128.06206	1.9
129.05508	5.1
129.06982	5.3
131.08549	14.5
133.06456	2.6
133.10126	18.6
135.08034	5.4
135.11687	15.9
137.09613	4.8
137.13309	1.2
139.11159	1.7
141.06955	1.3
143.06996	1.3
143.08574	4.5
143.10638	2.3
145.06471	2.0
145.10106	14.0
147.08040	3.0
147.11688	12.0
149.09592	13.4
149.13261	9.7
151.11197	2.5
153.09192	1.6
153.12741	2.2
155.08568	2.8
155.10693	3.7
157.08670	1.2
157.10107	3.9
159.08029	1.0
159.11671	10.5
161.09627	2.1
161.13248	2.5
163.11162	14.0
165.12730	3.3
167.10803	1.1
169.10158	2.5
171.10251	1.5
171.11697	3.2
173.04488	1.5
173.09628	2.9
173.11745	15.1
173.13248	4.2
175.11197	2.7
175.14775	1.2
177.12778	3.2
179.14365	2.0
181.12228	3.0
183.11752	1.5
185.13286	1.8
189.11223	3.7
191.10663	4.1
193.12289	4.0
195.13802	4.8
197.13310	1.3
199.13232	5.5
209.11664	6.4
215.14445	1.1
217.14386	1.8
219.13757	1.1
227.12737	10.6
229.14310	36.8
229.19383	1.7
239.18022	2.0
247.20673	2.1
251.16310	1.3
253.14236	1.2
255.15811	8.5
257.19086	5.5
267.15787	6.8
269.17422	20.0
273.18448	1.7
275.20016	23.6
283.15439	5.8
291.19452	5.9
293.20895	2.4
298.14755	1.0
301.16458	10.6
321.23978	1.6
331.22647	1.4
339.18533	1.4
349.23706	16.9
350.24173	1.2
365.22864	1.4
367.24728	3.0
399.23752	13.5
409.25827	7.5
413.21530	2.1
423.27359	19.3
473.79672	1.2
495.29462	4.9
503.33572	9.3
521.34924	1.9
541.35175	1.6
569.32007	1.4
575.36328	2.5
579.35004	4.0
593.36737	29.2
594.36658	1.9
673.42621	4.6
691.43372	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	888.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.1
67.05498	100.0
69.03429	8.0
69.06708	2.1
69.07060	27.1
69.07439	1.4
69.82648	4.5
71.01322	2.5
71.05007	6.3
71.08615	1.7
73.02905	2.0
77.03917	2.3
79.05058	1.1
79.05481	53.4
81.03409	17.5
81.07050	73.1
83.04979	14.6
83.08611	16.7
85.02896	11.9
85.06541	5.4
87.04457	4.5
91.05466	42.1
92.05795	1.5
93.07034	50.2
95.04961	16.0
95.08591	31.9
97.02868	5.9
97.06515	14.1
97.10152	13.5
99.04428	2.0
99.08092	3.7
103.03922	2.0
105.04534	2.9
105.07022	29.1
107.04952	10.4
107.08590	30.9
109.06519	8.9
109.10141	54.5
111.04439	2.1
111.08076	7.6
115.05406	2.1
117.06998	16.2
119.08567	25.8
121.06509	4.4
121.10133	13.3
123.08051	4.9
123.11649	3.0
125.09599	13.8
127.03932	3.2
129.05473	3.7
129.06998	5.4
130.07735	1.2
131.08571	17.0
133.06506	1.8
133.10107	18.5
135.08026	4.3
135.11668	14.9
137.09601	5.7
143.08533	2.9
143.10674	2.1
145.10121	13.1
147.08041	3.5
147.11642	9.5
149.09610	9.6
149.13226	11.6
151.11177	3.2
153.09135	1.4
153.12709	2.2
155.08496	1.9
155.10626	3.0
157.08778	1.3
157.10114	4.2
159.11671	10.4
161.09691	1.6
161.13231	2.6
163.11172	9.6
165.09282	1.6
165.12640	1.6
169.10022	1.2
171.11665	3.0
173.04475	2.7
173.09558	3.2
173.11731	14.6
173.13220	3.1
175.11171	1.4
177.12738	3.6
179.14328	1.7
181.12222	3.8
184.07225	1.7
185.13354	1.3
191.10645	2.4
193.12334	1.6
195.13715	6.3
199.13272	4.8
209.11670	3.6
217.14259	1.6
227.12593	7.1
229.14319	44.0
230.14738	1.7
247.20479	1.4
253.14369	2.9
255.15842	7.9
257.19009	4.2
265.14304	2.1
267.15894	5.7
269.17468	25.7
275.20038	23.1
283.15421	5.2
291.19644	3.9
293.17532	1.3
293.21048	2.1
297.17142	1.6
301.16495	10.9
313.27289	1.4
314.27640	1.5
331.22769	1.5
347.21878	1.6
349.23758	15.8
365.22974	2.0
367.24631	5.2
399.23804	15.2
407.28546	1.8
409.25787	7.6
413.22049	1.7
423.27380	24.1
432.97690	1.4
461.28607	1.9
481.27823	2.4
495.29703	5.9
503.33774	10.1
504.05505	1.4
521.34412	3.4
575.35571	2.0
579.34912	2.2
593.36829	26.4
673.42145	3.9
689.31311	1.6
691.43591	3.9
694.27399	1.4
719.35577	1.5
737.40100	1.7
888.48865	4.0
889.48236	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.3
67.05498	99.6
68.05835	3.6
69.03419	6.2
69.06709	2.1
69.07064	28.7
71.01331	2.3
71.04982	5.9
71.08638	2.6
71.15331	1.3
72.27894	1.4
73.02900	4.7
79.05486	58.4
80.05817	2.9
81.03415	13.4
81.07049	100.0
82.07392	3.0
83.04980	8.3
83.08601	16.2
85.02902	18.5
85.06529	6.5
87.04460	2.4
91.03955	8.7
91.05472	54.4
92.05797	2.5
93.07034	60.7
95.04960	15.9
95.08592	42.6
96.08942	2.7
97.02873	12.3
97.06518	10.9
97.10156	10.9
99.04441	2.5
99.08058	3.9
103.05462	1.5
105.04502	4.9
105.07016	35.4
106.07364	2.3
107.04943	5.7
107.08586	37.9
108.08913	2.2
109.02839	2.3
109.06493	7.4
109.10138	38.9
110.10487	3.2
111.04461	1.7
111.08070	5.2
115.03957	1.5
117.07012	14.9
119.08566	20.6
121.06515	3.9
121.10117	17.9
123.08044	3.3
123.11671	7.7
125.09608	7.9
127.03908	3.1
129.05473	2.5
129.07002	4.7
131.08543	15.6
133.10120	27.1
134.10448	3.0
135.08055	4.0
135.11668	11.9
137.09593	2.1
143.08527	3.7
145.04944	2.5
145.10080	8.9
147.08072	2.1
147.11661	11.1
149.09679	3.5
149.13223	11.6
151.11176	5.2
152.11548	2.2
155.10657	2.0
157.10092	3.3
159.11703	11.5
161.09541	2.1
161.13222	4.2
163.05986	2.5
163.11171	5.3
165.09023	1.3
171.11658	3.0
173.11743	5.9
173.13278	5.1
177.12723	4.5
181.12224	2.7
187.14818	2.3
195.13797	5.8
199.13202	2.3
199.14838	1.6
201.16266	1.5
208.42096	1.5
209.11816	1.5
211.88747	1.4
213.14693	1.7
226.34215	1.4
229.14255	11.8
230.14651	1.7
243.21095	3.2
253.14337	8.3
254.14635	5.1
259.20776	1.6
261.22137	7.6
267.15781	1.8
269.17429	32.8
275.19986	4.2
281.17438	5.2
286.60330	1.4
291.19412	1.5
292.19864	1.8
293.21106	5.4
301.16281	1.7
333.24121	2.2
335.25769	45.3
366.23502	2.5
367.24643	1.5
399.23840	3.5
411.96304	1.6
423.26978	2.3
435.27344	3.1
437.34079	2.1
529.38843	61.8
530.38867	3.2
593.36475	3.7
691.43628	1.7
708.99652	1.9
888.50122	23.0
889.49084	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	888.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52484	1.5
63.32711	1.3
65.03921	5.3
67.05497	100.0
67.68954	1.3
68.05830	2.8
69.03434	9.8
69.05207	7.2
69.05614	3.1
69.07061	40.8
71.01331	2.5
71.04984	16.2
71.08625	1.6
73.02907	3.4
77.03916	3.1
79.05485	65.7
81.03408	21.4
81.07047	77.7
82.07410	1.4
83.04970	12.0
83.08605	19.2
84.04490	1.3
85.02885	10.6
85.06528	6.1
86.85436	1.3
87.04473	2.0
91.05470	68.2
93.07035	58.1
93.34439	1.4
94.07367	1.4
94.82757	1.3
95.04958	22.9
95.08598	43.0
97.02883	5.9
97.06522	23.7
97.10155	12.9
99.04412	2.5
99.08071	4.1
103.05463	1.9
105.04479	4.1
105.07022	51.3
107.04958	13.6
107.07851	2.1
107.08572	41.2
107.48463	1.4
109.02863	3.9
109.06519	9.5
109.10145	40.8
111.04433	2.4
111.08071	11.8
115.05504	2.7
115.07527	1.6
117.06985	21.0
119.07740	2.6
119.08567	37.2
121.06484	7.0
121.10133	20.5
123.08070	7.4
123.11697	5.1
125.09608	14.0
127.03909	3.6
128.06180	2.2
129.05466	2.7
129.06981	12.7
130.07796	1.6
131.08560	29.3
132.08974	1.3
133.06491	3.4
133.10110	30.8
134.10474	2.1
135.08064	7.1
135.11685	15.2
137.09584	6.3
139.07457	1.9
141.06979	4.4
143.08537	13.9
143.10680	1.6
145.06454	2.8
145.10097	22.9
147.08020	4.2
147.11670	16.9
149.09592	14.4
149.13254	9.4
151.11169	4.0
155.08527	8.7
155.10628	2.0
157.10115	11.6
159.08000	1.5
159.11671	15.9
161.09612	3.4
161.13206	9.2
163.11153	12.0
165.12759	3.1
167.08603	2.3
169.10078	5.2
171.10269	2.5
171.11629	10.3
173.04384	1.9
173.09569	2.4
173.11703	8.2
173.13246	7.1
175.11124	4.1
175.14803	2.3
177.12683	5.3
179.14258	2.8
181.10106	2.7
181.12306	1.7
183.11629	8.1
184.07423	2.1
185.11711	1.8
185.13213	5.2
187.11162	3.7
187.14746	3.1
189.11189	7.3
189.12747	2.8
189.16302	1.8
191.10663	2.9
191.14249	1.5
193.12300	3.9
195.11610	3.9
195.13795	5.5
197.09412	1.5
197.13260	4.7
199.14857	1.9
201.12410	1.5
201.16391	2.2
209.11578	3.2
209.13367	1.9
211.13200	3.2
211.14949	2.2
213.14749	1.6
213.16499	2.0
215.17903	1.6
219.13812	1.7
223.14857	2.5
227.12712	18.2
227.14679	1.8
229.14284	21.9
229.16290	1.4
229.19392	2.3
237.16277	1.7
239.17863	2.8
241.19521	2.7
247.17133	1.4
247.20297	2.8
253.14093	1.7
255.15804	4.7
257.18951	8.9
259.20541	6.9
261.90866	1.5
267.15848	4.1
269.17361	13.3
273.18512	3.3
275.20056	28.8
283.15195	3.5
285.16959	3.1
291.19376	4.0
293.21069	2.3
297.25156	1.5
301.16473	3.8
305.05771	1.5
313.21448	1.4
331.22733	2.9
333.24487	7.1
335.25909	2.0
349.23758	20.8
365.23270	1.5
399.23721	5.9
409.25516	1.7
413.21704	2.3
417.29514	1.4
423.27405	10.1
445.29398	4.0
463.30560	7.5
487.34241	2.1
503.33606	6.3
505.34952	3.4
513.36060	3.2
521.33966	3.0
525.35309	2.8
527.37158	9.8
529.35577	2.3
543.36621	11.2
546.39038	1.9
561.37238	2.3
575.38141	1.4
593.36450	3.6
607.43176	6.9
625.44519	3.6
639.45416	2.4
653.40277	1.9
673.42535	3.2
689.42072	1.7
840.73590	1.7
889.45068	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.7
67.05496	100.0
69.03434	10.4
69.07060	44.0
71.04987	5.3
79.05482	58.6
79.05946	2.9
81.03400	10.8
81.07048	79.7
83.04979	10.1
83.08608	16.1
85.02890	4.1
85.06544	4.4
86.09686	4.2
91.05466	59.6
92.57841	1.8
93.07030	51.8
95.04948	20.6
95.08593	40.7
97.02872	6.6
97.06522	22.0
97.10169	11.8
99.04445	2.3
99.08079	3.0
103.05453	2.1
103.37975	2.6
105.04499	3.8
105.07012	46.5
107.04948	14.4
107.08578	39.1
107.83576	2.0
109.02878	2.6
109.06508	9.0
109.10144	46.1
111.08077	7.3
115.05466	2.0
117.06982	14.3
119.08569	33.5
121.06507	7.0
121.10120	18.1
123.08063	9.6
123.11697	5.2
125.00033	2.2
125.09605	10.7
127.03853	3.0
129.07008	7.5
130.07855	2.6
131.08545	23.3
133.06439	2.9
133.10114	25.3
135.08047	8.0
135.11671	12.8
137.09590	9.5
141.06960	2.7
142.07756	1.9
143.08531	8.2
145.10107	22.7
147.08029	3.5
147.11691	11.8
147.12688	1.8
149.09625	22.3
149.13260	13.0
151.11162	4.4
155.08585	2.4
157.10118	6.1
159.11656	18.2
161.09641	3.9
161.13240	7.9
163.11174	9.2
165.09027	2.1
169.10165	5.2
171.10231	2.5
171.11679	4.8
173.11726	12.3
173.13254	7.0
175.11159	2.1
177.12691	5.5
179.14285	3.2
180.68117	2.0
181.10097	1.8
183.11647	4.3
184.07346	15.4
185.13266	3.8
187.11226	2.2
189.11169	5.4
189.12769	2.1
195.13815	5.8
197.13246	3.3
199.14854	2.2
205.12105	2.6
227.12733	9.6
229.14299	25.7
229.19336	2.9
230.14577	2.5
239.17865	4.0
255.15782	3.5
257.18958	10.8
267.15866	3.7
269.17395	18.1
273.18521	4.2
275.20032	45.4
291.19489	7.4
293.21103	7.6
309.20547	2.9
313.21689	2.2
331.22791	2.9
349.23694	40.0
365.23193	4.4
367.24774	8.0
373.18631	2.5
383.24216	6.8
399.24002	2.4
403.23413	2.1
409.26013	3.1
423.27322	14.8
503.33771	12.8
511.33435	1.9
527.37573	3.0
529.35364	2.9
543.36804	17.7
559.36475	3.0
561.37634	3.0
596.69550	2.0
623.42896	7.6
641.43921	7.2
890.44604	3.7
891.47247	8.6
898.78033	2.4
903.09070	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	891.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.7
68.20000	0.4
69.03432	3.2
70.17800	0.5
71.05019	0.7
73.02905	4.1
79.05477	2.5
81.03412	5.1
81.07049	2.3
83.08617	0.7
85.02897	6.8
91.03931	3.2
91.05486	2.8
93.07064	1.6
95.04967	1.6
95.08601	0.6
97.02887	5.5
97.06509	0.8
98.23474	1.5
101.02392	1.8
103.03967	0.6
105.07046	1.7
105.41138	0.4
107.08627	0.7
109.02910	1.4
109.06523	0.8
111.08095	0.9
119.08559	2.3
121.10175	1.9
127.03935	2.1
129.06955	1.0
131.08614	1.0
133.10173	1.1
135.99600	0.5
145.04938	0.7
147.11714	1.2
149.09663	1.6
153.01848	1.3
157.10204	1.1
175.11237	1.2
193.12215	3.1
203.05339	0.5
243.08336	2.6
251.12727	0.5
267.15836	0.5
283.15106	2.8
307.15286	0.9
314.60129	0.7
339.17947	0.5
347.09354	2.6
363.09073	0.8
365.10712	1.5
383.19583	0.5
383.56418	0.6
405.13614	6.3
469.20401	10.4
501.22971	7.9
501.29593	0.7
574.08331	0.5
631.25824	7.9
663.28143	7.4
729.36243	3.1
821.17871	0.6
891.41821	100.0
892.41864	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	891.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82086	0.5
67.05499	10.2
68.05851	0.8
69.03432	3.4
69.07114	2.3
71.05024	1.2
73.02919	3.0
78.55546	0.5
79.05485	3.2
81.03419	2.5
81.07051	4.8
83.05006	1.2
83.08665	1.5
85.02974	4.8
87.04520	1.1
91.03942	2.7
91.05461	3.3
93.07025	3.7
95.05038	1.5
95.08670	2.3
97.02882	4.4
97.06598	0.7
97.10258	1.4
101.02454	2.2
105.07109	1.9
107.08676	2.0
109.02952	0.6
109.10160	8.4
111.08147	0.7
117.07084	1.3
119.08681	2.0
120.14008	0.5
121.10216	1.1
122.34196	0.6
125.09708	1.4
127.03957	1.2
129.05556	0.8
129.07123	0.6
131.08659	0.9
133.10219	1.4
135.08150	0.8
135.11745	0.8
137.09703	1.1
143.08665	0.6
145.05080	0.5
145.10240	0.7
154.08566	0.6
155.10756	0.5
159.11848	1.1
161.09856	0.5
163.11246	0.7
168.09599	0.5
173.11862	2.1
185.04346	1.5
185.58368	0.5
195.10039	0.7
203.05435	0.5
209.11865	0.6
223.13469	1.2
229.14529	2.2
243.08336	4.2
270.17883	0.6
291.19720	1.5
301.09149	2.2
331.19019	2.3
373.10941	1.0
385.18518	1.5
387.21634	1.0
413.17831	10.5
414.18271	0.7
429.22452	0.7
464.30377	0.5
469.20340	0.9
539.20953	4.4
549.26501	8.8
559.32550	0.9
621.28912	2.2
623.30035	2.9
649.31628	0.8
653.31305	2.6
691.36499	0.7
721.37585	100.0
722.37750	6.5
747.38550	1.9
749.40710	3.9
763.37372	0.8
777.40247	3.3
805.42810	0.7
891.47491	20.4
892.47723	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	6.6
69.03413	3.5
69.07057	3.7
71.04992	2.1
71.41568	0.4
73.02910	3.8
76.10046	0.4
79.05479	5.4
80.05839	0.5
81.03404	2.5
81.07052	6.2
82.07370	0.6
83.04993	1.0
83.08626	1.6
85.02901	4.4
91.03958	2.0
91.05466	4.1
91.05982	0.4
92.05782	0.5
93.07020	4.7
95.04979	1.5
95.08603	2.4
96.60870	0.4
97.02879	4.0
97.06560	1.3
97.10184	1.5
97.65232	0.4
101.02411	1.5
105.06999	2.0
107.04945	1.0
107.08588	3.5
108.08985	0.5
108.10465	0.5
109.02966	0.7
109.06546	0.8
109.10140	2.1
117.07025	1.2
119.08546	2.1
121.10205	1.2
123.08125	0.7
125.09646	1.6
127.03950	1.2
129.06978	0.6
131.08586	1.0
133.10150	1.6
135.11694	0.8
145.04924	0.4
145.10149	0.6
145.17381	0.4
147.11670	0.6
157.10114	0.4
159.11778	1.1
171.11755	0.7
184.07362	0.8
185.04262	0.9
188.15643	0.5
189.11284	0.6
201.03761	0.5
203.05389	0.6
223.13312	1.0
243.08316	4.5
290.19177	0.5
291.19641	1.3
301.09113	1.1
315.10623	0.9
322.64679	0.4
331.18948	1.4
346.63193	0.4
349.23450	0.4
365.23157	1.3
369.15317	0.4
385.18503	1.0
387.21439	0.5
398.15970	0.5
413.18024	1.5
439.19778	1.4
481.20786	0.5
485.23849	0.9
497.78430	0.5
513.23041	0.6
541.34515	0.6
549.26715	6.6
576.54395	0.5
583.30811	5.8
655.33026	0.6
679.32825	0.6
721.37463	1.3
739.38165	1.0
747.39020	2.6
763.38989	1.0
773.43677	0.6
793.40845	1.0
805.39459	1.3
845.42010	1.2
873.45074	0.7
891.50409	100.0
892.50421	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	893.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05297	3.3
67.05714	2.7
69.03228	1.7
69.03639	1.1
69.06889	0.6
71.04841	0.5
71.05176	0.7
73.02699	1.6
73.03159	1.3
77.56332	0.4
79.05274	1.7
79.05769	0.9
79.44841	0.5
81.03190	1.5
81.03713	0.8
81.06828	2.0
81.07355	1.3
82.05015	0.4
83.08442	0.6
85.02671	3.2
85.03245	1.6
91.03716	1.7
91.05244	1.6
93.06799	1.8
93.07443	1.0
95.04769	0.8
95.08344	1.4
97.02640	2.6
97.03313	1.1
98.22617	0.8
99.04280	0.7
101.02147	1.1
101.02702	0.5
105.06770	1.2
107.04731	0.5
107.08350	1.2
107.09016	0.7
109.09881	3.4
109.10689	0.8
117.06853	0.5
119.08337	1.0
121.09897	0.6
127.03619	1.3
129.05261	0.6
129.37828	0.5
131.08257	0.7
133.09938	1.1
135.11514	0.7
145.04723	0.5
147.11467	0.7
173.11411	1.3
185.03865	1.5
195.09668	0.6
201.03281	0.4
229.14056	0.8
241.06740	0.5
243.08347	3.4
251.12242	1.0
251.99777	0.4
301.08505	2.0
315.10214	0.7
333.20392	3.3
369.14822	0.5
371.16373	0.8
373.10593	1.5
385.17929	1.8
389.22870	0.6
411.96246	0.5
413.17795	9.6
414.17923	0.6
429.17319	0.9
439.19409	1.1
441.20590	0.6
453.20496	0.6
457.20267	0.5
469.20099	1.1
477.24741	0.9
515.33203	1.3
533.27203	0.5
541.22528	4.5
549.26233	0.9
551.28308	9.3
561.34100	0.9
583.27441	0.8
623.30402	2.8
625.31604	2.0
651.33179	0.6
665.34570	0.8
679.36810	0.5
693.38135	0.8
705.37512	1.0
709.33441	0.7
723.39154	100.0
724.39648	5.4
737.41705	0.5
749.40765	0.7
751.42181	3.3
779.41669	4.3
795.41791	0.8
807.41296	1.9
893.48169	20.1
894.48456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18530	0.6
64.02435	0.5
67.05499	3.6
69.03427	3.8
69.07084	0.9
73.02913	4.0
79.05480	2.7
81.03410	1.3
81.07056	4.1
83.08591	0.8
85.02894	5.3
85.03252	0.5
91.03928	4.6
91.05488	0.8
93.07028	3.4
95.08619	2.2
97.02888	5.8
97.70757	0.5
98.23495	1.4
99.04452	1.1
101.02396	1.5
105.07039	1.2
107.08543	1.3
109.02891	0.7
109.10186	0.8
121.10194	1.7
127.03927	2.3
131.08606	0.6
149.13290	0.9
170.10367	0.5
203.05385	0.7
243.08490	1.9
315.94452	0.7
347.09335	1.1
405.13547	4.8
453.20847	3.8
504.53192	0.7
519.29218	5.0
554.59924	0.6
615.26202	3.9
619.62170	0.6
681.34326	6.4
731.43860	1.1
757.32227	0.6
824.94305	0.6
893.48517	100.0
894.31580	1.1
894.48682	9.8
920.00677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.6
69.03420	2.7
69.07058	2.3
71.01324	0.6
71.04993	1.6
73.02904	3.0
79.05486	3.7
81.03409	1.8
81.07047	4.8
83.04977	1.1
83.08621	0.9
85.02894	4.3
85.06524	0.4
87.04474	0.7
91.03943	2.4
91.05466	3.3
93.07027	3.1
95.04971	1.6
95.08590	2.0
97.02880	4.0
97.06539	0.9
97.10148	1.0
101.02367	1.4
103.03863	0.3
105.07000	2.2
107.08584	1.7
109.10165	1.1
111.08083	0.3
115.62050	0.3
117.07019	1.1
119.08574	1.2
121.06487	0.4
121.10120	1.4
125.09637	0.6
127.03911	1.1
131.08540	0.5
133.10121	0.9
135.11685	1.2
145.10115	0.6
147.11667	0.8
149.13239	0.5
159.11687	0.6
163.11176	0.5
173.13220	0.4
183.49362	0.3
184.07320	1.2
185.04218	1.0
188.51401	0.3
189.11128	0.4
203.05270	0.5
243.08391	3.2
259.07913	0.8
301.08926	1.4
333.20316	1.5
349.19943	0.4
365.22952	1.5
373.11172	0.6
385.18268	0.9
389.22809	0.6
429.17459	0.4
439.19107	1.8
453.20801	1.1
469.20496	0.7
481.20190	0.3
485.23456	0.7
533.90680	0.4
541.22430	0.7
551.28259	6.0
553.29272	0.4
567.27686	0.9
583.30829	4.6
623.30438	0.9
721.37512	0.4
735.38373	0.6
749.41034	1.5
765.39520	1.0
791.41589	0.7
807.41364	1.5
847.43811	0.4
875.46588	1.3
893.52118	100.0
894.52362	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	893.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.4
67.05495	4.1
69.03423	2.7
69.07058	2.7
71.01364	0.4
71.04995	1.0
73.02910	2.8
79.05479	2.8
81.03412	2.2
81.07054	4.6
81.07426	0.4
83.04981	0.5
83.08630	1.0
85.02901	3.4
86.09698	0.5
87.04485	0.4
91.03956	2.4
91.05476	3.5
93.07030	3.2
95.04999	1.6
95.08595	2.2
97.02874	3.7
97.06564	0.6
97.10196	0.9
98.68632	0.3
99.04465	0.8
101.02417	1.6
105.07000	2.4
107.04997	0.4
107.08588	2.5
109.02908	0.6
109.06512	0.6
109.10190	1.3
111.08120	0.6
117.07054	1.1
119.08613	1.3
121.10194	1.0
125.00076	0.5
125.09664	0.9
127.03980	1.0
129.05534	0.4
129.07030	0.4
131.08585	0.9
133.10199	1.0
134.94821	0.3
135.11739	1.1
145.10147	0.6
147.11722	0.5
149.09613	0.4
149.13226	0.4
159.11685	0.5
173.09395	0.3
184.07373	0.8
185.04283	0.6
189.11249	0.5
203.05359	0.4
227.29227	0.4
243.08354	3.3
259.07962	0.6
281.17868	0.3
301.09186	1.1
333.20514	1.4
335.22629	0.4
365.22977	1.9
385.18372	0.6
413.18024	0.7
421.25735	0.5
439.19568	1.4
453.21255	1.0
469.20407	0.7
481.20349	0.5
483.21906	0.4
543.42590	0.4
551.28204	6.4
552.29401	0.5
567.27704	1.0
577.32721	0.5
583.30725	4.1
623.30487	0.6
723.40057	0.4
749.40778	1.1
765.39600	1.9
777.41077	0.5
795.42133	0.7
807.41064	2.1
875.47876	0.7
893.52020	100.0
894.52240	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	894.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	0.1
67.05493	0.2
68.99768	0.2
69.03117	0.1
69.03426	1.6
70.06568	0.1
73.02907	0.3
77.03934	0.1
78.03343	0.2
78.04701	1.1
79.05475	1.1
81.02965	0.1
81.03410	2.2
81.07011	0.1
85.02401	0.2
85.02897	2.9
87.00816	1.3
91.05475	0.7
93.07049	0.4
95.04945	0.8
96.05755	0.1
97.02882	1.4
98.23467	0.4
99.04444	0.6
103.05462	0.4
105.01861	0.7
105.03339	0.2
105.04501	0.2
105.07021	1.9
106.04164	0.8
107.04943	1.7
108.04461	0.2
109.02862	1.6
109.06522	0.2
111.04471	0.3
115.05437	0.9
117.01866	0.2
117.06992	0.9
119.04949	0.2
119.08540	0.2
121.06488	0.8
122.03625	0.3
123.04418	2.9
124.05194	1.4
127.03014	0.2
127.03900	2.1
128.06203	0.2
129.01839	0.2
129.06969	0.3
131.04915	0.3
131.08543	0.1
132.05646	0.1
133.06470	2.2
134.03644	0.3
135.04419	0.2
135.08023	0.2
137.05942	0.7
140.04674	0.2
143.05986	0.2
144.05670	0.2
145.04935	0.5
145.06458	1.5
147.04362	0.2
147.08046	0.4
149.05957	0.9
151.03886	0.7
151.07542	0.3
152.04649	1.3
153.01773	0.2
155.06027	0.4
155.07140	0.2
156.05669	0.4
157.06544	0.2
159.02853	0.5
159.04170	0.1
159.08057	0.3
161.05959	2.5
163.07512	0.5
165.09023	0.1
166.06342	0.2
167.07014	100.0
168.04176	0.1
168.07350	1.2
169.06458	0.2
171.02916	0.1
173.05965	2.5
175.07539	0.6
177.05449	0.2
178.06290	0.3
179.06995	0.6
181.08557	1.9
187.07506	0.5
189.03798	0.2
189.05527	0.2
190.06238	1.3
191.06944	0.3
192.07860	0.2
193.08575	12.3
194.09033	0.2
195.06392	0.1
195.10147	0.4
199.07448	0.1
202.06435	0.1
203.06964	0.2
204.07950	0.1
205.08569	4.3
207.06477	0.2
207.10161	0.5
209.08047	0.3
210.06802	0.1
211.09627	13.4
212.09937	0.2
213.03754	0.1
213.09093	0.2
215.07152	0.2
217.08589	1.9
219.10138	0.9
221.08099	0.5
223.09621	0.4
231.04939	0.4
231.10179	0.2
233.07967	0.2
235.09665	2.0
239.09137	0.3
241.08551	0.3
247.09637	0.5
248.08150	0.2
249.11198	0.3
251.09128	0.5
253.10689	0.5
259.09628	0.3
265.08160	0.2
265.10699	2.2
269.08115	0.4
271.09625	0.3
273.11276	0.2
277.10596	0.3
283.09558	0.2
289.10831	0.2
295.11700	0.3
299.09341	0.1
301.10770	1.0
315.08752	0.3
319.11731	1.9
330.10858	0.6
331.11731	0.2
337.12784	0.3
339.61227	0.1
343.11517	0.1
351.12244	0.3
369.13190	0.2
371.14932	0.2
383.14828	1.4
401.15924	2.2
405.11847	0.4
406.39951	0.1
423.12833	0.3
441.14172	0.2
582.34985	0.1
611.24426	0.3
785.40143	0.1
888.94586	0.1
894.38782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.5
67.05501	12.4
67.11399	0.5
67.57835	0.5
69.03426	1.8
69.07020	8.3
71.04990	0.8
71.08628	15.7
71.60663	0.5
73.02898	2.8
79.05482	4.1
81.03410	3.6
81.07051	15.9
83.04976	2.4
83.08614	12.1
85.02898	10.2
85.06549	1.5
85.10172	9.0
85.10629	0.7
89.06029	1.4
91.03956	6.8
91.05477	11.8
91.06037	0.6
93.07037	9.3
95.04961	4.1
95.08601	13.8
96.04446	0.6
97.02891	7.5
97.06538	2.1
97.10165	3.4
98.23456	0.9
99.00813	11.7
99.01419	0.7
99.04459	1.2
99.08114	0.9
99.11724	0.7
102.94592	0.6
103.05439	0.5
103.07599	0.7
105.07026	8.5
107.04966	4.4
107.08579	4.2
109.02876	7.3
109.06528	1.4
109.10146	9.0
111.04469	1.4
111.08071	2.0
111.11707	0.8
115.03909	2.6
117.07018	1.9
119.04893	0.8
119.08559	5.9
121.06499	4.0
121.10124	0.5
123.04453	1.3
123.08073	1.2
123.11710	4.3
127.03926	4.3
131.08533	0.9
132.05713	0.6
133.06482	1.4
133.10123	28.3
134.10442	0.6
135.08041	0.9
135.11702	0.7
137.05959	0.8
137.09619	1.1
137.13235	1.3
139.07532	2.8
141.05406	0.5
143.08589	2.9
145.04964	2.2
145.06496	0.6
147.08014	1.4
151.11169	9.8
161.09612	15.6
163.06042	3.0
163.11145	0.5
165.09108	0.8
171.08058	3.2
179.10638	8.8
184.07411	1.1
189.09093	8.3
190.09225	0.8
197.11722	2.6
207.10098	2.6
225.11182	8.9
239.23618	1.1
243.12305	1.8
257.24756	2.5
263.14886	0.6
269.43866	0.5
281.13849	4.6
291.18793	0.5
299.14877	100.0
300.15240	2.6
313.27341	78.1
314.27808	2.7
352.26666	0.6
504.08917	0.6
537.37823	52.1
538.38013	1.9
692.26666	0.6
724.38983	2.0
896.48022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.7
67.05505	14.8
69.03431	3.1
69.07063	7.8
69.14175	3.5
70.04191	0.8
71.04967	1.2
71.08629	16.0
71.09007	0.5
73.02917	5.4
79.05492	9.9
81.03413	6.5
81.07051	14.4
82.04190	2.9
83.01293	0.5
83.04983	6.3
83.08620	8.6
85.02902	11.6
85.06533	0.8
85.10180	8.7
87.04462	1.1
87.05408	0.5
89.06002	1.2
91.03469	0.5
91.03946	6.0
91.04945	0.5
91.05468	7.6
93.07031	7.8
95.04967	7.2
95.08036	0.9
95.08598	13.9
97.02886	6.1
97.06518	3.5
97.09602	0.7
97.10162	9.6
98.07309	4.2
98.23494	1.1
99.04430	1.1
99.08066	0.9
105.07019	3.5
107.04928	2.2
107.08582	4.9
109.02847	0.7
109.06483	1.4
109.10146	7.2
111.04432	1.3
111.08049	2.2
111.11683	0.6
113.05952	0.5
115.03889	0.7
116.03950	0.7
116.04696	9.2
117.06970	1.5
119.08589	3.3
121.06477	1.0
121.10130	2.7
123.08031	2.0
123.11680	2.4
125.09617	8.2
127.03892	1.9
127.11088	0.7
129.05472	22.1
129.06982	1.5
131.08513	2.1
133.10115	2.5
135.07994	1.5
135.11649	1.9
137.09584	0.9
137.13188	0.9
139.07501	0.6
141.16333	0.5
143.07014	5.9
143.10620	0.6
145.04930	2.3
145.10114	1.7
147.11604	2.2
149.09583	1.4
153.09061	1.0
153.12709	0.7
157.08607	9.6
157.10052	1.5
163.06024	2.8
163.11116	1.5
164.11885	0.8
165.12791	1.0
171.06490	1.7
171.10141	4.2
173.09628	0.8
175.11125	0.8
181.12256	0.6
185.08136	1.1
185.11667	1.2
189.11197	6.9
191.10643	0.8
193.12169	2.6
199.13277	3.3
200.14006	2.0
209.11794	2.2
210.12463	1.1
211.13232	1.2
227.12766	9.1
229.14421	0.9
239.23672	2.8
255.15872	1.9
257.24759	2.0
265.14334	0.7
267.15915	4.6
269.17526	0.8
283.15366	6.4
284.16116	1.0
285.61542	0.6
301.16437	100.0
302.16803	2.2
311.22290	0.8
313.27338	68.3
314.27652	2.8
347.85913	0.5
367.28256	3.7
381.29877	0.7
395.31406	1.4
407.26788	0.6
423.34781	0.6
438.36993	1.7
467.37436	1.4
505.38864	4.0
521.38397	3.8
522.39008	1.9
523.39679	0.9
535.37506	0.6
539.39398	65.7
540.39655	3.1
568.03229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.3
67.05160	1.9
67.05499	25.2
69.03422	2.9
69.07063	10.1
70.30038	0.9
71.01351	2.7
71.04990	4.9
71.08624	24.0
73.02906	3.1
79.05485	20.0
81.03409	18.2
81.07052	26.9
83.01342	2.8
83.04971	11.7
83.08605	13.0
85.02897	18.1
85.06521	2.1
85.10173	14.9
89.06025	2.1
91.03942	7.8
91.05470	12.6
93.07032	22.9
95.04955	6.7
95.08600	27.7
95.09215	1.5
97.02888	15.0
97.06534	6.6
97.10160	6.7
99.04433	2.2
99.11706	1.8
105.04478	0.9
105.07014	7.0
106.15411	0.9
107.04951	14.8
107.08585	13.8
109.02860	1.3
109.06506	3.6
109.10152	12.7
111.04466	9.1
111.08079	3.1
111.11698	1.7
113.05986	1.2
115.03948	1.2
117.06989	6.9
119.08580	10.5
121.06522	2.4
121.10134	11.7
123.08086	5.0
123.11714	3.3
125.09637	2.6
127.03909	3.0
129.07031	2.5
131.08543	5.8
133.10115	2.4
135.08090	2.1
135.11679	15.8
137.09604	2.4
137.13239	1.4
138.63753	0.9
143.08565	1.6
145.04942	3.8
145.06444	1.3
145.10107	15.9
147.08064	3.4
149.09613	4.0
153.12730	13.3
155.08582	1.9
163.05997	5.4
163.11179	30.3
173.09570	7.4
173.11781	1.1
181.12221	10.3
191.10638	13.3
209.11713	25.5
227.12775	14.4
239.23729	3.3
257.24722	2.3
265.14337	12.0
283.15378	53.6
284.15689	1.1
299.14859	1.6
300.15015	1.3
301.16443	73.9
302.16705	1.1
313.27332	100.0
314.27664	3.2
349.31549	1.0
445.20587	1.8
503.37253	11.3
521.38367	88.6
522.38525	4.0
539.39374	92.4
540.39984	5.4
683.43262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69929	0.8
64.34864	0.7
65.03936	2.1
67.05498	26.9
69.03426	4.4
69.06718	0.8
69.07063	12.5
69.20242	3.6
71.04981	2.7
71.08626	22.7
73.02909	6.9
79.05490	17.5
81.03409	9.5
81.07050	26.3
82.04185	2.0
83.01340	1.0
83.04972	10.7
83.08612	16.3
85.02895	14.5
85.06537	2.4
85.10173	15.9
87.04433	0.7
87.40067	0.8
89.06000	1.1
91.03951	9.0
91.04929	1.3
91.05470	16.7
93.07034	16.9
95.04966	11.5
95.08595	26.5
96.05708	0.7
97.02876	12.0
97.06529	6.4
97.10159	10.0
98.07291	1.5
98.22652	1.3
99.04433	2.8
99.08096	1.0
99.11714	1.2
103.03957	0.7
103.07565	1.4
105.04503	0.9
105.07027	6.5
107.04942	6.7
107.08585	10.2
109.02855	1.1
109.06487	3.3
109.10155	12.5
111.04441	6.8
111.08070	2.7
111.11678	1.3
115.03891	1.0
116.04726	5.4
117.07005	5.2
119.08578	5.6
121.06474	3.0
121.10120	5.9
123.04412	1.4
123.08039	2.9
123.11714	3.6
125.06023	1.7
125.09641	5.4
127.03882	3.6
129.05467	13.4
129.06976	1.7
130.07739	1.0
131.08563	4.9
133.10083	3.4
135.08037	2.8
135.11682	9.6
137.09601	1.1
137.13295	1.8
143.07010	3.2
143.08560	0.9
145.04955	3.3
145.06473	1.3
145.10095	9.9
147.08015	1.3
147.11653	1.7
149.09616	3.2
153.12747	1.3
155.08511	1.0
157.08586	6.2
157.09886	1.3
158.07285	0.8
163.06003	5.2
163.11169	8.8
171.06482	1.8
171.10132	2.6
173.09612	3.1
173.11691	1.0
175.11168	1.5
181.12180	3.0
185.11757	0.8
189.11214	2.4
191.10716	3.8
193.12164	1.4
199.13289	1.2
200.13977	0.9
209.11707	15.5
220.16702	0.7
227.12782	8.6
229.14360	1.2
239.23627	2.7
255.15834	3.3
257.24710	2.2
263.15939	0.7
265.14368	1.9
267.15823	2.2
283.15369	74.7
284.15857	2.0
301.16422	39.6
311.22098	0.8
313.27332	100.0
314.27612	3.1
367.28540	3.6
395.31415	1.6
438.36884	1.4
467.37399	1.4
505.38846	3.0
521.38336	44.2
522.38812	3.5
539.39374	86.8
540.39355	4.3
847.29987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01285	1.5
67.05499	22.2
69.03421	3.3
69.07069	9.9
71.01355	1.8
71.04985	2.7
71.08633	19.9
73.02914	3.5
79.05489	21.4
81.03412	23.2
81.07052	25.5
83.04984	12.9
83.08611	11.0
85.02471	1.6
85.02898	10.0
85.10177	10.1
89.06016	2.4
91.03951	5.8
91.05486	8.9
93.07052	15.4
95.04963	6.8
95.08596	21.1
97.02888	14.8
97.06516	5.2
97.10169	11.2
99.04424	2.9
105.07032	4.9
107.04947	21.0
107.08593	12.4
109.10159	10.6
111.04433	6.4
111.08053	2.8
111.11713	2.4
117.07019	4.4
119.08583	7.3
121.06490	2.0
121.10138	6.5
123.08076	3.2
123.11703	3.3
125.09616	6.6
127.03918	3.2
129.06987	2.7
131.08525	5.8
135.08087	2.4
135.11691	12.7
137.09624	1.3
137.79588	1.3
139.89331	1.3
142.31573	1.4
145.04979	3.4
145.10124	10.6
147.08080	2.4
149.09596	1.9
153.12721	15.0
161.97327	1.5
163.05994	1.7
163.11186	27.1
173.09608	6.0
181.12219	11.8
184.07312	2.6
191.10657	12.2
199.13307	11.2
209.11734	14.2
227.12770	23.6
229.14273	2.3
231.83528	1.4
239.23660	4.4
265.14307	14.6
267.15875	1.7
280.54794	1.6
283.15378	44.8
284.15845	2.1
301.16507	15.7
313.27344	100.0
314.27768	3.3
361.69669	1.5
378.72504	1.5
437.36050	2.5
455.37405	2.6
467.37558	12.2
479.36542	1.9
503.37173	6.0
521.38245	11.7
522.38507	1.6
539.39343	16.6
757.88525	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89477	8.4
67.05493	36.3
69.24935	50.8
71.04990	11.9
71.08635	21.4
76.58241	7.3
81.07046	46.7
83.08652	12.9
85.02914	14.5
85.10168	13.4
87.29215	7.6
91.03933	8.0
91.05448	10.4
95.08595	19.4
97.02869	13.8
123.11683	16.4
133.10135	12.6
172.46095	7.8
233.69156	7.7
283.24030	9.3
301.20132	16.7
313.27173	12.1
481.38876	70.5
504.32324	8.1
539.42981	100.0
549.56866	8.1
642.02673	9.5
661.17090	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	900.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.1
67.05491	16.9
69.03426	3.4
69.07054	3.3
71.04956	1.6
73.02930	1.7
79.05481	16.1
81.03407	66.0
81.07045	19.2
83.04977	5.2
83.08606	21.0
85.02898	5.5
85.06551	1.3
91.03941	2.2
91.05466	27.3
93.07039	17.4
95.04958	23.5
95.08591	7.0
97.02882	7.0
97.06512	4.9
97.10158	6.3
99.00800	12.5
99.04468	1.7
99.08059	1.0
103.05425	1.4
105.04527	1.4
105.07018	19.9
107.04945	12.1
107.08581	10.3
109.02871	11.7
109.06500	4.7
109.10145	4.0
111.04449	3.4
111.08066	8.5
113.05980	1.1
114.11559	0.7
115.03928	2.4
115.05444	0.9
117.06986	3.7
119.04922	1.3
119.08566	15.7
121.02850	1.0
121.06483	7.8
121.10127	4.4
123.04421	2.9
123.08049	3.6
123.11720	2.1
125.09632	5.7
127.03928	3.9
128.06207	1.4
129.06969	9.7
131.08559	7.7
132.23567	0.9
133.06516	4.2
133.10110	32.4
135.08049	2.4
135.11705	2.6
136.53635	0.7
137.06000	2.5
137.09569	1.8
139.07516	2.6
140.73961	0.9
142.07753	1.7
143.08553	4.7
145.04909	0.9
145.06483	1.7
145.10121	3.3
147.08046	3.0
147.11652	6.2
149.09557	4.5
151.07516	1.1
151.11174	8.5
153.01813	2.6
153.09073	1.6
157.10146	7.8
159.11673	0.9
161.09590	17.2
163.06046	1.2
163.07562	0.8
163.11171	3.5
165.09102	0.9
165.12753	1.2
171.08049	3.7
173.09570	0.9
175.11183	8.3
179.10648	9.6
189.09119	10.7
189.11188	5.0
191.14278	1.3
193.12204	19.8
197.11708	2.1
205.12199	1.1
207.10146	3.6
211.13222	4.5
219.13777	8.0
225.11160	10.5
227.12798	2.7
243.12178	1.4
249.14922	2.2
259.13098	0.9
263.12836	2.3
267.15887	80.0
268.16272	2.6
281.13712	6.0
283.15515	2.4
285.16873	1.7
299.14859	64.0
300.15057	1.9
309.17105	1.5
371.22153	1.1
381.20450	2.0
389.23212	2.5
399.21646	1.9
417.22876	1.1
445.25848	9.6
455.24374	0.9
459.27484	2.5
463.26904	7.3
473.25278	32.1
474.25732	1.7
477.29001	1.1
487.30493	1.3
491.26340	100.0
492.26703	5.0
509.27292	6.1
533.27423	5.9
569.63293	1.0
587.28381	1.6
599.28186	1.2
617.29120	2.2
635.30237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62978	0.6
69.03399	0.7
73.02876	1.1
79.05494	0.7
81.03407	1.1
81.07021	0.7
85.02877	1.9
86.19630	0.6
91.03921	0.7
91.05481	1.1
97.02882	1.6
98.22623	1.7
101.02316	0.8
103.09302	0.8
122.58594	0.7
141.50476	0.7
180.56857	0.7
283.12958	0.7
405.13660	1.3
432.52173	0.8
469.20111	1.9
480.99088	0.7
530.54114	0.7
631.25323	1.7
645.21313	1.3
673.37598	1.2
901.45459	100.0
902.45404	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	902.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.8
67.05495	42.1
69.03427	6.7
69.07061	10.6
70.04922	3.5
71.01350	2.1
71.04985	6.1
73.02907	5.8
77.03944	2.0
79.05486	33.9
81.03407	100.0
81.07049	32.5
82.04185	3.1
83.04972	23.5
83.08607	27.6
84.36812	1.1
85.02892	11.4
85.06516	3.3
91.03943	3.0
91.05470	32.1
92.12447	1.4
93.07034	27.3
94.04168	1.9
95.04961	43.2
95.08604	15.0
97.02886	9.0
97.06529	9.2
97.10162	15.9
98.07301	6.7
99.04472	2.0
99.08097	2.0
105.04530	3.1
105.07012	21.9
107.04940	20.1
107.08581	19.1
109.02869	1.9
109.06486	8.1
109.10146	18.1
110.63369	1.2
111.04423	12.9
111.08049	13.3
115.05473	1.5
116.04704	11.4
117.05470	2.6
117.06988	7.3
119.04900	2.1
119.08570	25.0
121.02861	5.0
121.06499	9.5
121.10136	13.0
123.04397	3.4
123.08062	5.3
125.09618	17.8
127.03893	2.6
127.07564	1.7
128.06210	3.2
129.05475	26.3
129.06964	14.9
131.04907	1.9
131.08566	14.2
133.06480	6.2
133.10104	9.3
135.04402	5.1
135.08063	4.7
135.11668	13.0
137.05943	3.0
137.09621	4.9
141.06920	1.7
142.07770	2.9
143.07033	5.1
145.04903	1.4
145.06480	3.2
145.10107	12.1
147.04413	1.6
147.08054	7.6
147.11641	12.3
149.09581	7.4
153.09082	3.6
153.12712	18.1
155.08510	2.5
157.08597	12.2
157.10117	14.3
159.11627	2.3
161.09618	2.3
161.69412	1.3
163.05989	1.7
163.11159	20.7
165.12749	3.5
171.06540	1.4
171.10129	6.0
173.09610	4.0
173.11751	4.0
173.13184	2.3
174.10498	1.2
175.11157	14.3
181.12201	17.5
183.11624	3.0
185.11740	1.8
185.13274	2.5
189.11171	15.9
189.12756	2.3
191.10649	11.6
193.12219	34.6
199.13289	4.4
200.14076	1.6
201.12906	2.2
201.14856	4.5
203.14310	1.7
209.11667	9.6
210.12531	1.4
211.13290	11.3
213.12828	2.4
219.13797	3.6
227.12737	48.1
229.12263	2.8
229.14310	17.9
231.13731	1.7
235.13324	1.4
247.13274	36.2
249.14857	6.7
255.15857	2.4
259.13257	3.0
265.14438	2.6
267.15881	89.2
268.16290	3.3
273.14624	1.2
283.15350	26.1
285.17050	2.1
301.16452	36.0
309.16901	2.0
321.16885	11.8
339.17831	2.9
355.22668	1.6
365.21252	2.6
367.22717	1.7
373.23666	1.5
383.22089	5.1
399.23584	1.6
401.23248	4.0
421.25818	2.3
439.26154	1.3
457.25629	2.7
458.26538	2.8
459.27063	4.2
475.26825	30.5
476.27551	5.2
493.20581	2.1
493.27887	42.9
525.30328	4.8
535.28668	2.5
535.51642	1.4
543.31818	1.3
589.29706	1.7
619.30762	2.3
637.31549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.8
65.80453	0.8
67.05499	40.1
69.03419	2.8
69.07063	11.2
71.04984	4.4
73.02915	2.5
79.05484	40.1
81.03398	5.4
81.07050	42.7
81.13918	1.0
83.01335	1.7
83.04971	5.0
83.08612	9.5
85.02905	5.2
85.06529	1.0
85.85429	0.7
91.03954	3.2
91.05473	20.8
93.06443	1.7
93.07039	45.5
95.04966	10.3
95.08596	45.6
97.02881	5.9
97.06536	3.7
97.10168	4.1
99.04446	4.1
99.08099	1.3
100.49894	0.8
101.26718	0.8
105.04527	1.2
105.07026	16.1
107.04954	8.8
107.08586	31.5
109.06522	3.7
109.10145	13.9
111.04428	1.5
111.08109	2.3
115.05441	1.6
117.06988	7.7
119.08575	15.2
121.06474	5.1
121.10132	17.3
123.08073	1.6
123.11697	2.8
125.06004	2.9
125.09638	2.7
127.03964	1.5
128.06245	1.6
129.05499	1.0
129.07014	2.2
130.07799	1.8
131.08557	7.4
133.06471	1.6
133.10130	8.2
135.08025	4.6
135.11681	34.5
136.11998	0.8
137.09653	2.0
137.13231	1.2
139.07544	1.2
143.08554	1.5
145.04999	1.4
145.10101	22.0
147.08025	1.6
147.11705	2.8
149.09604	1.9
149.13216	4.1
153.12729	1.0
157.10083	1.7
159.07991	1.4
159.11722	3.3
161.13280	1.9
163.05959	1.2
163.11172	44.5
163.14870	2.8
169.10188	0.9
173.11807	1.7
173.13255	2.9
175.14862	1.2
181.12245	5.9
187.14850	1.7
227.12752	45.8
228.13264	1.2
229.14186	1.9
243.21121	2.3
261.22180	6.6
267.15891	1.9
275.20120	2.7
283.15369	60.6
284.15833	1.1
289.17883	1.6
299.23740	1.0
317.24567	1.9
335.25772	100.0
336.26151	3.8
349.23746	1.7
419.77338	0.9
506.39105	1.0
543.36755	95.9
544.37152	5.5
561.37439	1.1
705.41882	2.2
902.47107	2.0
903.48053	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.1
67.05496	48.0
68.25011	0.8
69.03430	4.5
69.07063	12.7
71.01342	1.6
71.04984	3.6
71.08634	2.9
73.02910	5.9
73.79956	0.8
74.34724	0.7
77.03915	1.5
79.05482	45.1
80.99560	0.7
81.03408	16.3
81.07047	55.2
83.01328	6.3
83.04965	11.6
83.08611	14.4
84.59077	0.8
85.02896	22.0
85.06526	1.5
91.03947	10.2
91.05468	27.6
93.07033	55.7
95.04954	14.9
95.08592	44.9
97.02875	12.7
97.06517	6.5
97.10143	5.8
99.04441	3.2
99.08088	0.9
105.04507	1.8
105.07018	19.7
107.04948	6.9
107.08582	31.5
109.02840	1.4
109.06496	7.0
109.10139	17.8
111.04446	3.7
111.08092	3.5
115.03945	1.4
117.06995	10.6
119.08568	19.3
120.75563	0.9
121.06445	4.1
121.10122	26.6
123.08040	7.2
123.11704	5.5
125.05981	1.2
125.09631	5.1
127.03887	4.0
129.07008	3.8
130.07748	1.5
131.08549	14.0
133.10114	9.9
135.08047	1.9
135.11676	23.0
137.09607	2.5
137.13252	2.2
143.08508	1.8
145.04945	4.1
145.08966	1.4
145.10103	21.1
147.08009	1.7
147.11673	7.8
149.09605	2.1
149.13249	8.6
151.11160	1.9
153.12738	3.2
155.08495	1.8
157.10098	2.1
158.10481	0.8
158.90952	0.8
159.11710	6.2
161.13185	4.1
163.05986	7.6
163.11169	22.8
163.14819	3.2
165.12627	0.8
169.10112	1.2
171.11736	1.2
173.09628	3.4
173.13261	6.8
175.11189	1.4
175.14836	1.5
177.16267	1.3
181.12212	4.0
183.11632	1.0
187.14810	3.9
189.11206	2.0
191.10652	2.7
193.12263	3.5
199.14828	0.9
200.55562	0.9
209.11708	7.7
211.13261	2.3
227.12735	11.9
241.19470	0.9
243.21083	5.8
259.20532	2.3
261.22119	18.6
267.15866	8.6
268.16245	3.7
269.16489	1.3
277.21594	1.3
279.23230	1.4
283.15363	94.9
284.15723	2.5
285.16870	1.0
299.23602	6.7
313.27386	4.7
314.27682	5.2
315.28018	1.6
317.24710	7.1
333.24164	3.6
335.25760	100.0
336.26031	3.9
402.81778	0.8
423.32336	0.9
433.30789	1.9
451.31937	3.3
467.88943	0.8
469.32758	1.9
487.33942	2.8
505.38776	2.9
506.39139	3.8
507.39301	2.8
515.37347	1.3
525.35736	8.2
543.36743	95.1
544.37177	5.9
561.37354	4.7
602.41650	0.9
903.47339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.0
65.11211	0.8
67.05495	44.8
68.05821	0.8
69.03436	4.1
69.07056	10.9
71.01320	1.0
71.04978	3.2
71.08644	1.8
73.02905	5.2
79.05481	38.2
81.03407	19.3
81.07044	53.1
82.03719	1.1
83.01330	7.9
83.04970	10.2
83.08606	15.8
84.08908	1.0
85.02895	20.0
85.06544	2.0
85.10176	1.3
91.03942	13.0
91.05468	23.5
93.07032	49.4
95.04952	11.9
95.08591	32.0
96.04457	1.4
97.02880	10.3
97.06528	5.0
97.10147	5.4
99.04442	3.7
105.04501	1.8
105.07011	18.9
107.04934	7.2
107.08578	26.2
109.06506	6.8
109.10140	13.6
111.04433	2.2
111.08040	2.7
113.05959	1.1
117.07008	10.8
119.08568	17.7
121.06483	3.2
121.10127	19.8
123.08046	7.5
123.11664	4.0
125.05988	2.0
125.08791	0.8
125.09589	4.4
127.03886	4.6
129.06956	2.6
130.07777	1.4
131.08546	11.4
133.10117	11.1
135.08037	3.7
135.11681	17.6
137.09657	2.0
137.13269	1.4
143.08533	2.5
145.04932	5.4
145.10100	19.2
147.08035	2.9
147.11691	6.0
149.13225	5.8
151.11147	0.9
153.12762	2.4
155.08499	2.6
157.10118	2.9
159.11705	5.1
161.13277	4.8
163.05959	6.6
163.11165	19.9
163.14824	3.2
169.10193	1.3
171.11673	1.2
173.09595	3.7
173.13214	4.8
175.11230	1.1
175.14812	2.0
181.12224	3.1
187.14755	2.1
189.11142	3.1
191.10657	2.5
193.12222	2.9
194.12628	0.9
201.16341	1.3
209.11728	6.6
211.13280	1.1
227.12723	12.2
241.19373	1.0
243.21075	5.0
246.97615	0.8
253.14330	1.0
259.20667	2.7
261.22119	14.9
267.15836	9.9
268.16245	4.4
269.16513	1.4
283.15356	100.0
284.15698	3.3
297.21921	1.1
299.23581	4.7
313.27365	4.5
314.27698	5.4
315.27896	1.9
317.24768	4.0
333.24103	2.4
335.25757	67.6
336.25977	2.6
361.86456	0.8
433.30875	2.3
451.32346	4.3
469.33160	3.3
475.41898	0.8
505.39020	2.3
506.39014	3.5
507.39575	4.7
513.35864	1.1
515.37048	1.0
525.35602	6.2
543.36774	62.8
544.37158	3.4
549.40533	1.1
561.37787	5.0
903.48779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41837	0.4
66.92467	0.4
67.05486	3.1
69.03416	2.7
69.07072	1.6
69.48675	0.6
69.49061	1.0
71.08633	1.4
73.02906	2.8
75.46722	0.4
79.05507	2.0
81.03416	1.1
81.07056	2.5
83.01067	0.4
83.04967	0.6
83.08604	0.9
85.02896	5.4
85.10188	0.8
87.04489	0.5
91.03956	2.7
91.05488	1.1
93.07054	1.7
95.01102	1.1
95.04984	0.6
95.08608	1.4
97.02906	5.1
97.10159	0.8
99.04447	1.5
99.08100	0.6
101.02390	1.6
105.07043	0.8
107.08616	0.9
109.02818	0.6
109.10143	1.1
111.23858	0.4
115.03926	0.5
117.05471	0.5
119.08601	0.8
121.10160	0.8
122.10393	0.5
125.02151	0.9
127.03912	1.9
129.05447	1.1
133.10178	0.7
133.91055	0.4
135.11723	0.5
135.99460	0.4
139.03734	0.5
141.05261	0.8
145.05023	1.0
145.10046	0.7
147.11690	0.4
151.14928	0.4
157.04758	1.3
159.06671	0.4
164.92572	0.5
168.18661	0.4
169.04739	1.2
185.04178	3.8
186.04947	0.6
199.05788	0.7
201.03708	4.0
203.05284	2.5
227.05423	1.4
231.04733	0.4
241.06799	0.6
243.08504	1.3
246.36520	0.5
257.06314	2.3
258.07169	1.1
259.07980	1.8
273.06006	0.4
283.02902	0.5
283.15332	0.9
299.07245	0.8
301.08914	5.4
313.09042	0.7
313.27570	1.5
315.10605	1.6
319.09900	3.3
327.10617	0.5
329.08365	2.0
341.12219	0.9
341.75180	0.4
344.11084	0.5
346.08951	1.2
347.09464	16.5
357.15378	0.5
359.09695	1.2
361.11310	1.6
363.08945	9.8
363.13235	0.5
365.10663	1.7
373.11050	0.6
383.16989	1.1
385.18097	3.3
389.10605	0.5
405.13602	6.3
418.46231	0.5
421.12955	1.0
423.27307	0.9
461.35974	0.6
463.14206	16.8
475.14377	0.5
477.15674	3.5
489.15833	0.8
495.29025	0.5
497.30765	5.9
503.17804	1.2
505.19174	0.7
513.30579	0.8
517.19330	1.3
519.20459	1.3
522.15326	0.8
531.20190	0.7
533.22614	0.5
535.16302	6.0
539.31952	0.7
542.39111	0.6
543.39111	0.4
544.39679	0.5
545.22504	2.4
547.23584	8.2
547.31317	0.7
549.18359	0.8
555.31439	3.2
557.32941	1.2
563.19525	1.0
569.32874	2.1
577.21106	1.8
585.24585	0.7
585.32727	1.7
591.22699	1.4
603.26337	0.6
603.35748	0.4
605.24268	1.9
619.25818	1.8
633.27301	1.5
639.40656	1.6
647.27899	1.3
659.36084	18.2
660.36932	0.7
661.30292	1.0
669.41437	0.8
675.33984	1.9
689.33759	1.3
701.37323	0.9
723.43073	0.6
731.38092	8.1
732.38495	0.6
745.39673	2.0
759.41473	2.9
773.42694	1.3
787.43909	0.9
801.45990	6.2
815.47522	0.6
841.49023	0.8
843.46405	0.9
857.49182	0.6
885.48132	3.3
886.49066	0.7
903.49060	100.0
904.49121	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	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83892	2.9
67.05502	49.9
69.03426	4.2
69.07065	10.0
69.38818	2.9
79.05479	45.6
81.03410	50.2
81.07050	39.7
83.04990	12.0
83.08606	19.1
85.02893	31.0
91.03970	6.0
91.05466	38.5
93.07034	45.6
95.04961	21.1
95.08585	28.2
97.02895	12.7
97.10163	5.6
98.23039	3.8
105.04459	3.3
105.07011	29.0
107.04928	4.1
107.08562	17.3
109.06470	5.5
109.10168	10.8
111.08092	9.6
111.31769	3.1
117.06944	4.7
119.08591	23.5
121.10115	18.4
123.08060	3.5
123.11720	8.1
127.03857	3.8
127.77771	3.5
129.07018	9.9
131.08586	13.6
133.06470	4.5
133.10130	15.0
135.11673	6.5
145.10127	8.8
147.11699	13.8
149.09627	6.6
157.10114	9.0
161.13205	3.4
163.06036	4.8
169.68816	3.2
173.13274	6.5
175.11163	15.3
185.13373	3.2
193.12242	35.6
211.13301	64.3
228.89453	3.5
243.21065	4.0
261.22205	9.3
267.15903	16.9
285.16937	74.2
335.21771	3.5
335.25757	70.6
446.26761	3.2
527.37152	14.8
545.38293	100.0
546.38647	6.0
677.37592	3.4
748.82275	3.3
803.82928	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	904.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	34.2
69.03432	4.0
69.07059	7.8
71.04978	2.3
73.02911	1.6
76.24715	1.2
79.05477	29.6
81.03408	29.4
81.03838	2.5
81.07044	36.4
83.04977	6.8
83.08603	13.9
85.02895	20.3
87.70399	1.2
91.03958	5.5
91.05470	23.4
93.07028	29.5
95.04958	17.6
95.08010	2.5
95.08594	24.7
97.02887	6.5
97.06533	2.6
97.10158	2.2
97.91585	1.3
105.04550	2.4
105.07011	17.3
107.04956	3.8
107.08571	14.6
109.06509	2.8
109.10144	8.8
111.08065	7.2
117.07008	2.6
119.08578	13.4
121.10140	13.8
123.08047	1.5
123.11732	3.5
129.07007	3.9
131.08522	10.6
133.06465	1.5
133.10103	10.7
135.11703	6.1
138.79836	1.4
142.07788	1.9
145.04926	3.6
145.10127	5.9
147.08022	2.0
147.11658	11.1
149.09625	2.9
149.13226	1.7
157.10117	5.6
159.11690	2.6
161.13277	1.7
163.06001	3.2
165.12718	2.0
175.11188	7.1
193.12193	23.6
211.13260	29.1
211.15140	2.4
216.37378	1.4
243.21152	2.4
261.22070	8.1
267.15866	11.5
285.16919	38.9
317.24533	1.6
335.25751	67.3
347.66821	1.4
435.32367	1.9
495.68405	1.3
527.37378	14.4
545.38269	100.0
546.38275	5.8
750.01678	1.5
857.97058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	6.2
67.05496	100.0
69.03419	9.4
69.07058	41.4
69.28858	6.7
71.01356	1.4
71.04984	13.0
71.12788	1.4
73.02904	1.6
73.69415	1.5
77.03902	1.6
79.05483	69.6
81.03407	17.4
81.07047	76.4
83.04977	12.7
83.08612	17.8
85.02888	6.9
85.06544	4.5
91.05467	62.6
91.81443	1.3
93.06442	3.4
93.07034	64.1
95.04955	19.6
95.08593	38.8
97.02849	6.6
97.06525	24.1
97.10159	9.7
99.04450	1.9
99.08109	2.6
103.05445	2.2
105.04516	4.2
105.07014	49.1
107.04955	10.9
107.08578	38.1
109.06517	7.6
109.10141	35.8
111.04403	3.6
111.08060	9.7
113.09644	2.1
115.05450	4.2
116.06239	1.8
117.07004	20.3
119.08566	42.1
121.06492	7.0
121.10128	18.9
123.04435	1.6
123.08062	5.7
123.11706	4.2
125.09635	11.4
127.03905	4.1
128.06230	2.5
129.05481	3.1
129.07001	11.8
129.27402	1.4
130.07811	1.6
131.08543	24.7
133.06514	3.1
133.10117	26.3
135.08095	8.3
135.11676	12.0
137.09604	10.0
139.11214	2.6
141.06961	3.2
142.07822	1.8
143.08583	10.4
145.06502	2.6
145.10098	22.0
147.08054	4.6
147.11658	19.3
149.09607	22.2
149.13229	11.9
150.60313	1.4
151.11174	3.6
155.08549	4.2
155.10599	2.9
157.10063	7.3
159.08109	2.9
159.11685	14.3
161.09610	3.8
161.13283	8.1
163.11153	9.4
165.09113	1.7
165.12793	1.6
169.10117	5.4
171.11644	7.6
173.09615	2.3
173.11743	10.2
173.13268	7.7
175.11211	3.2
175.14833	3.4
177.12741	5.3
179.14294	2.8
183.11687	3.9
185.13268	4.6
187.11221	1.6
187.14877	1.8
189.11182	5.0
189.12746	1.8
193.12253	3.3
195.11954	1.6
195.13828	4.8
197.13263	2.2
199.13235	2.9
199.14912	3.4
201.12799	1.7
209.13402	2.4
210.17738	1.4
211.13199	3.0
211.14957	2.1
213.16414	2.0
213.62282	1.5
215.17967	1.5
217.15895	1.6
223.13213	1.6
227.12715	9.7
229.14322	18.5
233.15533	1.6
241.19514	3.9
255.15837	2.5
256.65848	1.4
257.18939	5.9
259.20554	14.0
267.13455	1.3
267.15753	7.1
269.17413	26.7
273.18521	8.3
275.20041	21.1
283.15286	1.7
285.16910	1.5
289.17926	2.7
289.21506	1.3
291.19397	8.5
306.67596	1.2
333.24158	9.6
349.23721	19.8
365.23273	4.5
383.24158	5.1
409.25613	1.9
423.27307	15.0
431.27933	2.1
463.30698	2.9
503.33624	7.6
512.37433	1.6
521.34985	1.7
525.35730	2.3
527.37262	16.1
529.34698	1.9
543.36737	12.0
545.38074	3.7
589.10858	1.7
623.42908	4.5
706.09552	1.6
709.29395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	6.2
67.05496	100.0
69.03419	9.4
69.07058	41.4
69.28858	6.7
71.01356	1.4
71.04984	13.0
71.12788	1.4
73.02904	1.6
73.69415	1.5
77.03902	1.6
79.05483	69.6
81.03407	17.4
81.07047	76.4
83.04977	12.7
83.08612	17.8
85.02888	6.9
85.06544	4.5
91.05467	62.6
91.81443	1.3
93.06442	3.4
93.07034	64.1
95.04955	19.6
95.08593	38.8
97.02849	6.6
97.06525	24.1
97.10159	9.7
99.04450	1.9
99.08109	2.6
103.05445	2.2
105.04516	4.2
105.07014	49.1
107.04955	10.9
107.08578	38.1
109.06517	7.6
109.10141	35.8
111.04403	3.6
111.08060	9.7
113.09644	2.1
115.05450	4.2
116.06239	1.8
117.07004	20.3
119.08566	42.1
121.06492	7.0
121.10128	18.9
123.04435	1.6
123.08062	5.7
123.11706	4.2
125.09635	11.4
127.03905	4.1
128.06230	2.5
129.05481	3.1
129.07001	11.8
129.27402	1.4
130.07811	1.6
131.08543	24.7
133.06514	3.1
133.10117	26.3
135.08095	8.3
135.11676	12.0
137.09604	10.0
139.11214	2.6
141.06961	3.2
142.07822	1.8
143.08583	10.4
145.06502	2.6
145.10098	22.0
147.08054	4.6
147.11658	19.3
149.09607	22.2
149.13229	11.9
150.60313	1.4
151.11174	3.6
155.08549	4.2
155.10599	2.9
157.10063	7.3
159.08109	2.9
159.11685	14.3
161.09610	3.8
161.13283	8.1
163.11153	9.4
165.09113	1.7
165.12793	1.6
169.10117	5.4
171.11644	7.6
173.09615	2.3
173.11743	10.2
173.13268	7.7
175.11211	3.2
175.14833	3.4
177.12741	5.3
179.14294	2.8
183.11687	3.9
185.13268	4.6
187.11221	1.6
187.14877	1.8
189.11182	5.0
189.12746	1.8
193.12253	3.3
195.11954	1.6
195.13828	4.8
197.13263	2.2
199.13235	2.9
199.14912	3.4
201.12799	1.7
209.13402	2.4
210.17738	1.4
211.13199	3.0
211.14957	2.1
213.16414	2.0
213.62282	1.5
215.17967	1.5
217.15895	1.6
223.13213	1.6
227.12715	9.7
229.14322	18.5
233.15533	1.6
241.19514	3.9
255.15837	2.5
256.65848	1.4
257.18939	5.9
259.20554	14.0
267.13455	1.3
267.15753	7.1
269.17413	26.7
273.18521	8.3
275.20041	21.1
283.15286	1.7
285.16910	1.5
289.17926	2.7
289.21506	1.3
291.19397	8.5
306.67596	1.2
333.24158	9.6
349.23721	19.8
365.23273	4.5
383.24158	5.1
409.25613	1.9
423.27307	15.0
431.27933	2.1
463.30698	2.9
503.33624	7.6
512.37433	1.6
521.34985	1.7
525.35730	2.3
527.37262	16.1
529.34698	1.9
543.36737	12.0
545.38074	3.7
589.10858	1.7
623.42908	4.5
706.09552	1.6
709.29395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5052
Annotation	C21217
Peak:m/z	Relative Intensity
67.05502	5.9
68.05834	0.5
69.03423	4.3
69.07061	2.6
70.07385	0.4
71.01346	0.6
71.05003	0.7
71.08630	1.0
73.02909	3.3
79.05484	4.4
80.05834	0.5
81.03404	3.7
81.03748	0.3
81.07051	5.4
82.07386	0.5
83.04996	1.1
83.08610	1.8
85.02892	6.4
87.04412	0.4
91.03952	2.9
91.05470	3.8
93.07037	4.0
94.07342	0.6
95.04948	1.9
95.08604	3.2
97.02885	5.3
97.06555	0.8
97.10162	1.0
99.04446	1.4
99.08101	0.4
99.36087	0.5
101.02382	2.0
105.06991	2.0
106.07344	0.4
107.04956	0.9
107.08598	2.0
109.02892	0.7
109.06544	0.6
109.10143	3.0
110.10517	0.6
110.67150	0.4
111.08027	0.5
113.06005	0.5
115.03923	0.6
117.07014	0.6
119.08578	1.8
121.06526	0.5
121.10159	1.7
123.11703	0.8
123.12867	0.4
125.09623	0.9
127.03893	1.8
129.06998	0.7
131.08569	0.9
133.10184	1.4
135.11678	0.6
139.11255	0.4
145.10103	0.7
147.11745	0.8
149.09637	1.0
149.13295	0.4
157.10208	0.6
163.11147	0.7
173.11804	0.8
175.11246	0.6
179.18011	0.4
185.04239	0.8
193.12331	1.3
203.05243	0.5
211.13385	0.7
225.11089	0.4
229.14355	1.0
230.14717	0.4
243.08485	1.9
267.15836	0.8
269.13651	1.1
283.15488	0.9
284.15848	0.7
285.16602	0.8
291.19647	0.6
313.27377	1.1
335.25900	0.8
336.26114	1.2
347.09430	2.8
349.23691	0.5
362.32413	0.5
363.08932	0.6
365.10764	0.8
365.23154	0.5
405.13632	5.0
443.18945	4.1
469.20453	1.1
487.21631	3.2
497.30807	4.0
531.79742	0.4
544.37323	0.5
545.38007	0.6
546.38525	1.3
551.78943	0.4
586.77130	0.4
605.24274	4.7
631.25616	0.7
649.26770	4.2
659.36011	5.2
699.42706	1.4
710.65436	0.4
725.44641	0.4
743.45355	1.6
861.47931	1.3
887.50000	0.8
905.50641	100.0
906.50989	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	906.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74745	1.0
67.05499	12.4
69.03429	1.4
69.07069	13.1
71.04983	2.5
71.08619	1.7
73.02899	2.9
78.50405	0.9
79.05479	8.5
81.03429	5.8
81.07047	15.1
81.71216	1.0
82.01699	1.0
83.01335	3.7
83.04971	4.2
83.08616	12.2
85.02891	10.1
85.10167	2.2
89.09808	1.1
91.03956	6.0
91.05472	6.4
93.07040	14.5
95.04973	3.2
95.08592	10.2
95.90317	1.0
96.33719	1.0
97.02893	4.9
97.06541	3.3
97.10131	5.6
99.04470	1.5
105.07037	4.0
107.04946	3.2
107.08585	8.0
109.06510	2.4
109.10149	3.9
111.11676	2.0
117.07044	3.9
119.08566	3.9
121.10120	7.5
123.08044	3.4
127.03925	1.6
130.52057	1.1
131.08571	1.3
135.08029	1.1
135.11684	8.3
145.04944	4.1
145.10104	5.7
149.07430	1.1
149.13226	1.5
153.12750	1.5
155.09875	1.1
163.06029	3.6
163.11154	9.8
163.68407	1.2
171.85262	1.0
181.12236	1.9
189.31085	1.0
191.10648	1.4
209.11745	2.8
214.98863	1.0
227.12764	2.3
227.69696	1.2
265.25046	1.3
266.20911	1.2
283.15363	100.0
284.15637	3.1
298.92645	1.0
339.28906	63.4
340.29187	1.7
491.69147	1.3
547.39917	49.6
548.40253	1.4
718.12079	1.4
791.76196	1.2
794.34680	1.1
814.14240	1.4
916.71893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	0.3
67.05496	3.8
68.05804	0.3
69.03421	4.0
69.07063	1.0
71.01358	0.8
71.04998	0.4
73.02909	3.9
77.89619	0.2
79.05484	2.6
81.03408	2.2
81.07042	3.3
82.07399	0.3
83.01319	0.3
83.04990	0.7
83.08607	0.5
85.02895	6.3
87.04477	0.7
91.03947	4.0
91.05482	2.2
93.07044	2.8
95.04952	0.6
95.08590	2.6
95.09132	0.3
97.02883	6.2
97.06545	0.4
97.10128	0.3
98.22662	0.5
99.04454	0.9
101.02368	2.2
103.03928	0.4
105.07024	1.1
107.08583	1.6
109.02895	0.7
109.06516	0.3
109.10126	1.2
115.03938	0.6
117.07050	0.3
119.08607	0.8
121.10144	1.4
123.08004	0.2
123.11682	0.3
127.03902	1.9
129.07004	0.4
131.08588	0.7
133.10159	0.6
133.16277	0.2
135.11720	0.8
145.05000	0.6
145.10144	0.8
147.11627	0.3
149.09660	0.2
163.11206	0.6
173.37718	0.2
185.04268	0.6
202.69159	0.2
203.05258	0.4
211.13251	0.4
228.99332	0.3
229.91495	0.3
243.08420	2.1
249.11006	0.4
259.08066	0.4
285.16855	0.5
335.25952	0.7
337.27542	0.4
347.09515	2.0
360.47577	0.3
363.09116	0.3
365.10495	1.3
405.13702	4.8
406.14066	0.4
467.18805	3.7
498.31396	0.4
506.64981	0.3
519.29285	3.7
547.39703	0.7
548.40186	0.9
629.24133	3.1
661.36133	0.3
681.34399	5.6
682.34534	0.3
737.35419	0.3
745.40918	1.5
821.40442	0.3
907.46527	100.0
908.46606	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	907.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.9
69.03424	3.9
69.07065	1.3
69.57186	0.9
71.01346	0.7
71.05003	0.7
73.02914	3.9
79.05482	3.0
81.03411	2.6
81.07051	3.2
83.01320	0.4
83.04968	0.7
83.08624	0.9
85.02896	6.0
87.04462	0.6
91.03944	3.8
91.05456	2.3
93.07045	2.5
95.04977	1.2
95.08588	2.4
96.08938	0.3
97.02882	6.3
97.06528	0.5
99.04462	1.3
99.08076	0.3
101.02348	1.6
102.10739	0.3
103.03928	0.5
105.07037	1.2
107.04932	0.5
107.08601	1.0
107.87892	0.3
109.02899	1.1
109.06522	0.5
109.10135	1.7
111.04482	0.3
115.03935	0.4
117.06996	0.7
119.08598	1.1
121.10165	1.3
123.08080	0.6
127.03912	1.5
129.05530	0.4
131.08574	0.5
133.10138	0.7
135.08063	0.3
135.11694	1.5
145.04953	0.5
145.10118	1.2
147.11766	0.3
157.08833	0.3
163.11145	1.4
173.09607	0.5
181.12323	0.4
185.04250	0.7
203.05362	0.6
209.11719	0.4
243.08365	2.2
249.11067	0.7
259.07944	0.4
283.15549	0.5
335.25754	0.4
337.27319	0.4
347.09409	2.0
363.08960	0.6
365.10522	0.8
385.95435	0.3
393.81091	0.3
405.13577	5.0
406.14264	0.4
432.45670	0.3
467.18872	6.2
519.29376	3.1
548.39886	0.4
559.35321	0.4
606.24640	0.4
629.23962	5.3
629.33545	0.4
630.24902	0.5
633.26135	0.4
661.36761	0.4
681.34570	3.1
684.19012	0.4
695.04852	0.3
721.36938	0.6
737.35388	0.8
745.41559	1.1
763.36389	0.6
906.50800	0.9
907.46594	100.0
908.46875	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	907.592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.6
67.05507	3.7
69.07069	9.3
69.65617	1.2
69.65981	1.1
71.08629	1.9
73.83723	0.6
79.05489	11.3
81.07053	93.6
83.08617	1.2
85.06528	0.8
91.05464	4.4
93.07040	5.7
94.37616	0.6
95.04964	2.0
95.08582	3.5
96.89822	0.5
97.06522	3.5
97.10208	0.7
98.23407	1.3
99.08089	48.9
103.69267	0.5
105.07019	7.5
107.04978	0.7
107.08583	12.7
109.06527	2.4
109.09428	0.7
109.10152	10.3
111.08101	1.0
117.07006	3.8
119.04963	0.9
119.08559	5.7
121.06479	4.1
121.10130	3.6
123.04348	0.7
123.08079	1.5
123.11691	2.1
123.51505	0.5
125.09624	17.9
127.11182	4.2
128.06209	0.9
129.07007	1.9
131.08574	4.6
133.06477	0.8
133.10130	3.7
135.08073	2.2
135.11664	1.3
137.05991	1.6
137.09578	0.9
139.11209	0.6
141.07001	1.1
143.08560	5.7
143.10664	14.7
145.06512	1.1
145.10104	7.4
147.08008	3.8
147.11676	3.7
149.09622	1.4
154.07744	0.7
155.08546	4.4
157.10133	3.8
158.07301	0.7
158.10863	0.8
159.08070	2.5
159.11700	3.1
161.09625	3.6
161.13254	1.6
163.11163	1.5
165.06937	0.9
167.08511	1.3
168.09305	1.1
169.10088	4.1
171.08023	3.4
171.11658	2.7
173.09615	9.8
173.13240	2.0
175.11182	2.7
179.08586	1.7
181.10139	3.4
182.10921	1.3
183.08051	1.0
183.11650	3.8
184.12561	0.9
185.09639	2.2
185.13231	3.1
187.11192	2.3
187.14941	0.6
189.09062	4.3
191.10660	5.5
192.09227	0.7
193.10162	2.7
194.10930	1.0
195.11685	4.7
197.09605	2.5
197.13232	6.6
199.11195	2.7
199.14810	1.8
201.12729	1.0
201.16437	0.7
205.12201	1.3
206.10864	0.6
207.10129	1.8
207.11757	2.4
209.09625	1.8
209.11674	2.1
209.13399	3.6
210.10368	1.1
210.14006	1.0
211.11223	2.3
211.14790	2.3
212.12018	1.1
213.12756	3.1
213.16446	1.0
215.14362	1.3
217.10078	0.7
219.11792	1.3
221.13211	2.8
222.13872	0.7
223.11443	2.8
223.13264	1.5
223.14905	1.6
225.12746	5.4
225.16376	0.7
226.13377	0.8
227.14351	2.1
232.12451	1.3
233.13232	0.9
234.14139	0.8
235.11252	1.1
235.14862	1.8
236.11900	1.3
237.12698	1.9
237.16350	4.4
239.14337	3.4
239.17978	1.7
241.15901	1.7
243.14027	0.7
243.17328	0.6
247.14822	2.4
249.12659	1.3
250.13539	1.4
251.14328	1.3
251.18065	0.7
253.15906	1.0
253.19463	2.2
255.17523	2.4
259.14832	0.8
263.14221	0.6
263.18018	0.8
265.15848	6.3
265.18872	0.9
267.17474	1.6
273.18594	1.0
277.15775	1.3
281.15350	1.1
281.19089	2.2
283.16919	16.7
283.20068	0.7
284.17670	1.5
285.18503	2.2
289.19513	1.1
291.17709	0.8
293.19055	1.1
299.16516	3.6
299.19540	3.7
301.17963	100.0
302.18552	7.3
303.19534	19.5
304.19940	1.0
311.20108	2.5
313.18021	1.1
313.21628	1.3
317.21265	7.5
319.22552	1.0
329.21085	11.7
335.20078	1.6
341.21057	1.1
347.22256	1.0
353.21057	6.2
354.21756	1.3
371.22061	4.4
373.25143	1.3
391.26294	2.3
409.27356	28.1
410.27454	0.8
427.28439	58.7
428.28860	3.7
445.29459	76.5
446.29965	3.6
446.56836	0.6
463.30518	50.2
464.30933	2.2
484.48788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.3
67.05500	18.4
68.14416	0.4
69.03425	3.0
69.07063	19.2
69.21977	2.6
70.97376	0.4
71.04987	3.3
71.08630	2.0
73.02880	1.9
73.06551	0.5
79.05487	14.9
81.03413	31.4
81.07050	22.4
83.04974	8.1
83.08613	22.1
85.02896	19.2
85.05517	0.4
85.06501	1.7
85.10138	1.4
89.06007	0.5
91.03954	4.7
91.05471	16.2
93.07035	12.9
95.04962	14.4
95.08599	16.7
97.02343	0.5
97.02880	6.3
97.06527	2.7
97.10158	9.1
99.04453	0.5
99.08051	1.1
103.05423	0.5
105.06351	0.6
105.07024	12.7
107.04329	0.5
107.04951	3.4
107.08595	5.5
109.06505	2.4
109.07102	0.4
109.10144	7.1
111.04414	1.3
111.08062	5.9
111.11701	1.3
113.05955	1.3
113.09595	0.8
115.03888	0.4
115.05421	1.0
117.06979	0.8
119.08566	8.8
121.06464	1.2
121.10136	8.8
123.08018	1.6
123.11711	2.6
125.09586	1.0
127.03870	1.4
128.06284	0.4
129.07004	6.4
131.08554	6.7
133.06438	1.7
133.10132	6.2
135.11667	3.8
137.09554	1.2
142.07742	1.3
145.04924	1.9
145.10103	1.0
146.22496	0.4
147.08009	1.5
147.11678	7.0
149.09601	2.8
149.13229	1.3
151.11108	0.4
157.08858	0.6
157.10121	7.1
163.06038	2.5
163.14758	1.1
165.12703	1.8
175.11174	7.3
193.12221	23.8
194.12672	0.4
204.98999	0.5
211.13277	41.1
212.13582	0.7
247.24184	0.8
265.25201	1.7
267.15900	16.3
285.16943	61.7
286.17297	1.3
293.17386	0.4
300.22037	0.4
339.28909	53.9
340.29300	2.0
457.36716	0.6
491.36215	0.6
531.40491	14.9
532.40900	0.8
539.92291	0.4
549.41449	100.0
550.41754	4.4
675.80695	0.5
693.45599	0.5
738.34875	2.6
908.49091	0.9
909.46985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.7
69.03450	1.7
71.43260	1.9
73.02924	3.2
79.05496	2.1
81.03437	2.8
81.07069	4.0
85.02914	6.2
91.03961	5.5
95.04913	2.3
95.08616	1.6
97.02888	5.1
98.78603	1.5
107.08595	2.1
115.97459	1.7
127.03930	2.3
127.24951	1.8
128.93663	1.7
134.75635	1.5
157.72664	1.5
214.37361	1.8
225.58783	1.7
251.12685	3.1
272.09604	1.5
280.80307	1.5
405.13901	4.9
469.20502	5.7
478.52060	1.6
481.17792	2.2
510.78696	1.7
519.29346	7.7
551.39380	1.9
631.25995	4.1
641.87207	1.8
681.34766	6.9
909.47931	100.0
910.48456	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	909.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.7
69.03432	3.5
72.14004	1.1
73.02934	2.6
79.05495	2.4
81.03420	2.8
81.07055	2.8
82.60719	1.1
83.04955	1.1
85.02921	5.6
87.46678	1.0
91.03965	4.3
91.05487	2.9
93.07045	1.7
95.04992	1.4
97.00959	1.0
97.02882	6.1
97.05861	1.1
98.22678	3.9
98.23399	5.1
134.91412	1.0
152.01619	1.1
243.08400	1.6
269.67743	1.1
347.09702	1.9
365.10794	1.4
405.13910	5.0
469.20398	6.1
519.29492	4.0
631.25854	4.5
681.35168	3.2
696.46179	1.3
909.47998	100.0
910.48486	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	909.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	3.9
68.12417	0.6
69.03426	4.3
69.07072	0.6
69.67467	1.3
69.67844	1.3
73.02909	4.4
73.21787	0.6
79.05504	3.1
81.03410	2.2
81.07048	3.0
83.04970	0.8
85.02889	6.3
91.03959	4.2
91.05485	2.1
93.07056	2.0
95.04956	1.1
95.08608	2.2
97.02889	7.1
99.04440	0.9
100.03973	0.6
101.02383	2.1
105.07047	1.3
107.08598	1.5
109.02901	0.8
109.10165	0.8
121.10139	1.0
121.29379	0.6
124.93763	5.9
127.03917	1.8
142.94859	2.5
145.04945	0.7
198.97501	1.0
207.57921	0.7
243.08371	1.3
335.25671	0.8
347.09604	2.7
365.10437	0.9
404.51697	0.7
405.13742	4.9
459.18848	1.6
469.20630	3.3
477.19925	9.5
519.29095	5.4
563.14392	0.7
631.26074	2.5
681.34399	7.5
746.38220	0.8
747.43597	1.1
909.48010	100.0
910.48743	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	910.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77557	0.7
67.05495	16.8
69.03419	4.1
69.07061	7.8
69.83491	2.5
71.04983	2.9
71.08628	13.2
73.02898	1.9
73.76455	0.7
79.05489	13.2
81.03411	33.8
81.06569	0.9
81.07051	20.3
83.04971	9.6
83.08608	13.6
85.02901	21.0
85.03418	1.4
85.06544	1.2
85.10166	8.1
91.03929	4.5
91.05465	14.8
93.07040	8.9
95.04963	14.5
95.08595	13.5
97.02872	6.6
97.06523	1.8
97.10164	4.2
105.07021	10.5
107.04948	3.6
107.08596	3.8
109.06532	2.4
109.10146	5.0
111.04443	1.0
111.08060	4.4
111.11717	0.9
113.05970	1.8
115.03932	0.9
116.38347	0.7
117.07062	0.9
119.08569	8.9
121.06467	0.7
121.10130	4.3
123.08073	1.1
123.11705	3.5
127.03930	2.4
129.07013	5.9
131.08572	6.2
133.06464	2.1
133.10098	5.9
137.09679	0.9
142.07745	1.4
145.04990	2.1
145.10089	1.4
147.08099	1.7
147.11685	6.2
149.09581	3.9
157.10095	7.8
163.06046	2.1
175.11148	6.9
193.12219	19.9
211.13271	40.8
267.15878	15.1
285.16937	58.0
286.17365	1.3
341.30478	58.2
342.31024	0.9
533.42023	13.8
551.43011	100.0
552.43433	6.6
824.46906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	14.0
68.05805	1.3
69.03426	2.7
69.07064	9.1
71.01320	1.3
71.04975	3.1
71.08628	20.7
73.02911	2.7
79.05486	15.9
81.03410	20.6
81.07047	21.1
83.04971	5.8
83.08616	8.1
85.00603	1.1
85.02884	10.9
85.06543	2.4
85.10180	10.2
91.03951	4.3
91.05474	10.9
93.07037	16.3
95.01303	1.2
95.04959	7.0
95.08601	21.2
97.02884	9.4
97.06512	3.8
97.10172	3.8
98.22683	2.9
99.04463	1.5
105.07045	4.4
105.07756	1.3
107.04951	14.6
107.08587	7.8
109.02940	1.3
109.06506	4.7
109.10136	8.5
111.04434	16.4
111.08077	1.6
113.05999	1.6
117.07030	6.6
119.08543	8.5
121.06509	4.1
121.10122	8.2
123.08047	5.5
123.11674	1.9
125.05966	6.1
125.09634	1.5
127.03915	1.5
128.80257	1.1
131.08562	4.7
135.08060	2.9
135.11685	11.7
137.09593	1.6
137.13275	1.2
139.07590	1.8
145.04961	1.7
145.10117	16.5
147.08046	3.2
149.09596	2.5
153.12706	7.0
163.06049	3.2
163.11157	24.9
167.14360	1.4
173.09598	8.7
181.12195	5.2
184.07301	2.2
191.10628	11.3
209.11719	6.8
223.13234	17.2
227.12756	6.2
239.23741	2.0
241.14307	27.8
249.18167	1.5
254.99074	1.3
265.14316	17.5
283.15396	28.2
297.17041	1.9
313.27332	78.4
314.27701	1.7
315.17999	51.5
459.22247	1.7
503.37332	13.2
521.38330	100.0
522.38605	4.6
535.39459	1.5
539.39429	2.3
544.29327	1.3
553.40936	71.7
554.41119	3.4
912.50043	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	914.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.7
66.10775	0.3
67.05500	16.3
69.03439	0.7
69.07062	10.9
71.04980	1.0
73.06532	0.6
79.05484	22.7
81.03404	4.2
81.07046	21.5
83.04976	5.5
83.08601	3.7
85.02892	0.7
85.06534	1.6
91.05469	26.3
93.07037	21.9
95.01327	2.6
95.04963	8.6
95.08595	12.9
95.09198	0.5
97.02890	0.9
97.06523	17.5
97.10159	1.3
98.22743	1.3
99.04493	0.6
103.05469	1.0
105.04491	1.4
105.07018	32.0
107.04948	7.9
107.08582	9.0
109.06509	2.0
109.10131	3.8
111.04457	0.7
111.08072	1.2
115.05453	0.4
117.07001	5.7
119.06105	0.4
119.08562	15.1
121.06517	1.8
121.10111	3.5
123.04414	0.9
123.08060	2.4
123.11665	0.7
125.09651	0.6
128.06215	0.8
129.07008	4.4
131.08551	8.7
131.09465	0.7
133.06462	1.1
133.10118	16.0
135.08075	1.5
135.11694	3.2
137.09602	1.2
139.07516	0.6
143.08551	3.0
145.06528	1.3
145.10107	6.6
147.08061	0.7
147.11676	12.4
149.09595	3.5
149.13242	1.3
151.11140	1.1
155.08528	0.7
157.10118	1.2
159.11676	4.5
161.09662	1.4
161.13243	4.1
163.11142	2.7
165.09077	0.9
169.10173	0.7
171.11650	5.6
173.13275	1.7
175.11313	0.5
177.12820	1.3
179.14302	5.3
183.11694	0.9
185.13298	0.7
187.11241	1.3
187.14751	0.6
189.12788	1.7
197.13258	0.7
205.12300	0.8
207.13811	3.6
229.19482	0.5
239.17981	0.7
247.20625	0.9
257.18997	1.9
259.20578	1.3
262.08630	0.5
263.16473	0.8
275.20038	30.0
276.20386	0.8
279.15762	2.8
281.17450	22.0
282.17676	0.7
293.21118	1.9
311.25897	0.6
349.23679	14.1
350.24081	0.7
459.31113	0.8
537.35919	2.1
555.36743	100.0
556.36926	4.9
573.37689	2.4
699.40021	0.6
742.40961	0.5
769.12549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.567
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84630	0.5
64.99600	0.4
67.05498	9.4
68.97115	0.4
69.03380	1.9
69.07059	6.4
71.04928	1.4
71.08627	16.4
71.08987	0.6
73.02865	1.4
79.05488	6.1
81.03410	46.6
81.07048	12.5
82.03688	0.6
83.04977	2.6
83.08610	14.5
85.02898	4.6
85.06524	0.7
85.10176	10.2
89.05976	0.9
91.03960	3.4
91.05471	8.7
93.07034	4.5
95.04958	13.4
95.08598	13.6
97.02877	4.7
97.06470	1.2
97.10150	3.8
99.11664	0.9
103.07552	1.0
105.07015	5.8
107.04941	3.8
107.08551	2.4
109.02896	0.5
109.06455	1.7
109.10146	6.6
111.04408	0.9
111.08067	4.3
111.11664	0.6
115.05395	0.9
117.06950	0.8
117.09079	0.6
119.08582	6.3
120.69453	0.5
121.06447	1.5
121.10105	3.1
123.04388	1.1
123.07977	0.7
123.11649	2.0
125.13203	0.6
127.03838	1.7
129.06998	4.8
131.08577	4.8
133.06448	1.8
133.10115	2.6
135.11621	0.6
137.05962	0.5
137.09540	1.1
137.13231	1.0
142.07721	1.4
145.04913	1.4
145.10043	0.6
147.04419	0.6
147.07973	1.5
147.11671	4.1
149.09619	3.1
157.10104	5.1
163.06013	3.0
163.11101	1.0
165.12718	1.2
175.11156	6.4
193.12225	21.9
194.12564	0.5
194.38618	0.5
205.12248	0.7
211.13217	1.7
213.12462	0.7
223.13133	0.5
235.13205	2.0
239.23622	2.0
249.14839	1.8
257.24792	2.2
259.13214	1.7
267.15887	92.7
268.16315	2.3
273.14838	0.9
301.14365	1.7
309.16931	3.4
313.27335	100.0
314.27744	2.8
319.15564	0.7
336.17230	0.5
469.20541	0.7
505.38837	79.6
506.38986	3.4
523.39685	1.7
547.39984	6.0
563.83203	0.6
565.40802	1.1
589.41553	0.9
601.40491	2.7
613.40643	2.1
631.42004	1.9
649.42816	1.1
658.55615	0.5
741.66595	0.5
914.51581	15.8
915.52942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.8
67.05501	8.9
69.03409	0.9
69.07035	5.5
69.07471	2.4
71.04958	0.6
71.08629	15.2
73.02892	1.1
79.05485	3.8
80.89066	0.4
81.03412	42.1
81.07047	10.8
83.04949	1.7
83.08613	14.1
84.52951	0.4
85.02908	3.2
85.09711	0.7
85.10178	10.1
86.16142	0.4
89.06002	1.0
91.03941	2.9
91.05465	7.0
93.07040	3.7
95.04956	12.7
95.08595	12.0
97.02899	3.9
97.06525	0.6
97.10162	3.4
99.11675	0.7
103.07533	1.3
105.07021	4.3
107.04955	3.1
107.08549	1.7
109.02818	0.6
109.06503	1.7
109.10145	5.6
111.04418	1.1
111.08069	4.7
115.05457	0.7
117.06989	0.6
117.09129	0.9
119.04916	0.7
119.08575	5.2
121.06462	1.3
121.10117	2.9
123.04411	1.1
123.08045	0.5
123.11701	3.1
125.09592	0.5
127.03874	1.2
129.06996	4.3
131.08562	4.0
133.06430	1.4
133.10094	1.6
135.11646	0.4
137.09575	1.0
137.13203	1.1
142.07675	0.6
145.04907	1.4
145.10121	1.0
147.04314	0.5
147.08005	1.7
147.11664	4.7
149.09633	2.5
157.10112	5.4
163.06007	2.9
163.11177	0.8
165.12700	1.5
165.16353	0.5
175.11162	7.0
178.94397	0.4
189.12656	0.7
193.12231	20.9
194.12460	0.5
205.12192	0.9
207.13910	0.4
211.13232	1.7
235.13246	1.4
239.23770	2.4
249.14764	1.4
257.24725	2.0
257.27335	0.4
259.13293	1.7
267.15884	100.0
268.16251	2.4
273.14700	0.8
273.55258	0.4
278.79633	0.4
301.14316	1.6
309.16806	3.0
313.27338	97.9
314.27719	3.1
319.15729	0.5
333.17087	0.8
375.17914	0.6
429.20929	0.5
505.38818	80.8
506.39224	4.6
506.97992	0.6
523.39911	2.0
547.39874	5.9
548.40594	0.5
563.84247	0.5
565.40375	0.5
571.39362	0.5
589.41022	0.7
601.40778	1.8
613.40820	2.1
631.41937	2.0
649.42993	0.9
658.68024	0.4
663.42206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.2
66.06644	0.6
67.05502	13.5
69.07063	10.7
69.20140	3.9
71.01326	0.6
71.04997	1.1
77.03909	1.0
79.05485	14.2
81.03424	5.6
81.07049	19.5
83.01344	1.7
83.04961	5.2
83.08590	3.9
85.02909	2.8
91.05473	21.6
93.07039	16.2
95.01321	3.7
95.04955	6.3
95.08592	11.4
95.09140	1.0
97.02884	2.1
97.06515	9.0
97.10123	1.6
99.04443	0.9
103.05511	0.7
105.04504	1.0
105.07023	28.5
105.07736	1.4
107.04935	8.3
107.08585	9.2
109.06508	2.9
109.10114	3.3
111.04420	1.3
111.08112	0.9
112.68237	0.7
117.07002	5.7
119.08572	17.5
121.06525	1.9
121.10150	3.9
123.04424	1.0
123.08063	3.6
125.09629	1.0
129.07053	1.1
130.07803	0.8
131.08563	8.8
133.10106	15.9
135.08099	2.7
135.11673	5.1
137.09639	0.7
141.06990	0.7
143.08542	2.0
145.06464	0.9
145.10112	8.3
147.08031	0.8
147.11679	4.5
149.09560	3.9
149.13298	1.8
155.08575	0.9
159.11670	3.6
161.09612	1.0
161.13245	1.5
163.11180	6.1
165.09100	1.0
169.10115	1.6
171.11688	1.3
173.09543	0.7
173.13228	1.4
177.12730	1.3
179.14268	5.1
181.12257	0.9
183.11798	1.4
209.11772	1.1
219.17508	1.3
227.12772	0.7
257.19070	2.0
275.20050	23.2
283.15356	18.8
287.62198	0.7
293.21222	0.9
349.23672	11.7
376.81589	0.7
539.33313	2.1
557.34668	100.0
558.35089	5.2
575.35748	1.8
701.37964	0.8
702.15302	0.9
756.47748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28073	0.6
67.05500	14.3
69.03442	1.0
69.07067	10.5
71.04973	1.8
71.41595	0.6
73.02908	1.5
79.05486	13.9
81.03412	5.2
81.07053	19.0
83.01334	1.9
83.04978	5.6
83.08615	3.5
85.02908	2.4
85.17005	0.7
91.03967	1.2
91.05476	18.4
92.98924	0.7
93.07042	15.9
95.01337	2.4
95.04962	5.4
95.08601	10.3
97.02885	1.4
97.06519	9.2
97.07102	0.7
97.10168	1.9
105.04574	0.9
105.07021	28.2
107.04940	7.7
107.08590	8.1
109.06523	3.1
109.10119	3.2
111.08067	1.0
111.65379	0.7
117.07023	7.6
119.08571	13.3
121.06541	1.9
121.10126	4.7
123.08080	3.5
125.09639	1.5
127.03950	0.8
129.06985	1.5
131.08569	8.5
133.10120	15.8
133.76025	0.8
135.08040	1.6
135.11697	4.6
137.09589	0.7
141.06998	0.7
143.08575	1.7
145.06551	0.9
145.10100	7.9
147.08063	1.2
147.11690	6.3
149.09624	3.1
149.13315	1.0
155.08571	0.8
157.10150	1.3
159.11653	3.2
161.09665	0.8
161.13310	2.3
163.11165	7.4
163.14896	0.8
171.11659	1.3
173.09590	0.8
179.14278	4.4
181.12239	0.9
183.11693	1.0
191.10687	1.3
205.12323	0.9
209.11748	0.9
219.17317	0.9
227.12833	0.8
257.19122	1.8
258.93771	0.8
275.20050	26.5
283.15375	18.8
283.18585	0.8
293.20813	1.1
308.99426	0.7
349.23712	13.2
351.56216	0.7
539.33832	1.7
557.34692	100.0
558.34845	5.2
575.36060	1.2
701.38477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.4
67.05497	61.5
69.03425	2.1
69.07055	13.6
71.04993	3.3
73.06530	2.1
77.03925	3.9
79.05482	95.0
80.05809	1.6
81.03416	8.4
81.06565	2.8
81.07045	55.1
83.04977	11.8
83.08604	9.1
85.02886	5.4
85.06519	2.9
91.03950	3.0
91.05469	95.0
93.07032	84.0
95.04965	23.5
95.08595	38.2
97.02893	3.9
97.06512	5.5
97.10172	5.9
98.23502	3.6
103.05461	3.1
105.04503	6.3
105.07014	79.4
107.04952	8.7
107.08584	31.4
109.06508	7.0
109.10139	11.2
115.05427	1.8
117.07005	20.0
118.96989	1.2
119.08563	63.3
121.06490	4.4
121.10130	18.1
123.08022	7.5
123.11729	2.0
125.09579	1.6
128.06194	5.7
129.06995	24.7
130.07773	2.7
131.08540	22.7
133.06453	1.9
133.10114	40.3
135.08052	1.8
135.11685	15.1
137.09564	1.6
141.06967	2.3
142.07747	2.1
143.08549	18.3
145.06544	1.9
145.10106	25.0
147.08101	2.8
147.11668	58.9
148.14610	1.3
149.09633	2.4
149.13246	9.3
151.11203	2.2
155.08464	2.2
157.10109	7.4
159.11684	21.2
161.09636	3.6
161.13237	30.7
161.14531	2.6
163.11157	1.9
163.14790	2.8
167.08578	1.3
169.10114	4.2
171.11673	32.6
173.13226	9.8
175.11147	1.6
175.14801	11.6
177.12759	3.9
183.11697	2.6
185.13226	9.7
187.11172	2.6
187.14813	4.0
189.12701	7.7
195.11691	2.2
197.13280	3.1
199.14789	3.3
207.11806	1.9
207.13760	19.8
213.16420	3.5
231.21051	4.5
241.14409	2.6
241.19463	29.1
257.18988	4.1
259.20538	70.0
261.22070	2.4
275.19937	2.0
279.15820	19.9
279.18512	1.6
281.17426	73.7
282.17761	1.9
283.18982	2.1
313.21915	1.8
315.23166	6.1
331.22531	1.6
333.24182	45.4
334.24472	1.4
429.31137	2.2
447.32526	9.0
465.33578	7.5
483.34329	6.7
485.33569	1.6
501.35895	1.7
521.36237	5.0
529.38763	3.1
539.37250	100.0
540.37634	6.2
557.38348	36.2
558.38000	1.9
647.38391	2.7
701.42004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.4
67.05502	41.7
69.03419	2.8
69.07066	8.8
69.28954	4.1
71.01334	1.2
71.04996	1.2
71.08267	1.4
71.08633	18.5
73.02917	3.2
75.04490	1.1
79.05487	14.7
81.03408	5.1
81.07053	24.9
82.10520	0.8
83.04967	4.5
83.08616	14.3
85.02396	1.3
85.02902	18.2
85.06537	2.0
85.09676	1.2
85.10175	11.8
87.04465	3.5
89.06040	1.7
91.03951	5.2
91.05480	8.0
93.07049	9.3
95.04964	3.2
95.08601	20.2
97.02895	7.3
97.06535	1.4
97.10164	18.3
98.23492	1.3
99.04495	0.7
99.11708	0.8
102.46532	0.6
103.03953	1.4
103.07616	1.0
105.07031	3.0
107.04950	2.8
107.08584	9.6
109.06511	1.0
109.10153	35.9
110.10497	0.9
111.04417	1.7
111.08095	2.5
115.03987	0.7
117.06990	2.0
119.08556	4.2
121.10136	3.2
123.08062	1.5
123.10915	0.8
123.11663	3.8
125.09623	13.4
127.03910	2.3
129.06908	0.7
131.08585	2.8
133.10147	1.2
135.11687	2.2
137.09615	1.2
137.13240	1.9
143.10667	3.2
145.04939	2.4
145.10081	3.0
147.08008	0.8
149.09608	1.0
153.12680	1.6
155.10635	2.2
159.11696	0.8
160.11188	0.9
163.06030	2.9
163.11186	3.0
173.11717	9.7
181.12225	1.6
191.10655	2.1
199.13301	10.8
209.11687	6.8
223.13303	2.0
227.12750	7.1
229.14336	57.3
239.23610	3.4
257.13910	1.3
257.24817	2.2
265.14395	0.9
267.15976	2.5
283.15332	5.9
297.16910	3.2
300.15250	1.3
301.16443	31.3
313.27344	100.0
314.27728	4.1
316.98199	0.7
319.17743	1.0
335.22144	0.8
335.25720	3.6
341.26709	2.4
437.36185	5.9
455.37280	12.1
467.37292	33.2
468.37613	1.6
505.38797	1.2
521.38373	3.9
539.39435	20.5
557.39569	5.0
584.19073	0.8
701.44171	1.3
813.12067	0.8
814.39893	0.8
843.55133	0.9
917.50092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.0
67.05499	46.2
69.03422	3.2
69.07066	11.1
69.41364	0.9
69.41714	2.3
71.01357	1.2
71.04985	2.0
71.08627	18.6
73.02915	2.8
77.45992	0.5
79.05485	14.1
81.03422	4.1
81.07050	23.1
83.04972	4.0
83.08616	15.0
85.02897	20.9
85.03413	1.0
85.06527	2.0
85.10173	12.7
86.98475	0.5
87.04457	5.1
89.06038	1.0
91.03946	5.4
91.05467	6.8
93.07034	6.7
95.04953	2.8
95.08595	20.8
96.04509	0.6
97.02897	7.9
97.06514	2.0
97.10161	16.1
98.23376	0.7
99.04435	1.3
99.08097	0.7
101.28497	0.5
103.03915	1.1
105.07018	2.4
107.04958	1.5
107.08582	6.5
109.06538	1.2
109.10146	36.0
110.10486	0.5
111.04424	2.3
111.08076	2.0
111.11705	0.7
117.07024	1.5
119.08555	3.8
121.06514	0.5
121.10133	3.1
123.08078	1.3
123.11699	4.1
125.09614	15.1
127.03921	2.9
131.08566	1.8
133.10123	1.0
135.11684	2.7
137.09555	1.4
137.13177	0.9
139.11188	0.8
141.09059	0.5
143.10666	2.8
145.04947	2.7
145.10095	2.0
149.09586	0.8
151.14833	0.6
153.12746	1.3
155.10643	2.3
163.06046	2.9
163.11157	2.7
167.94724	0.6
173.09581	0.9
173.10222	0.8
173.11711	9.9
181.12196	0.8
191.10654	1.7
193.12222	0.9
199.13257	10.6
209.11707	5.8
224.76714	0.5
227.12752	6.8
229.14322	51.7
230.14656	1.2
239.23650	3.8
245.13875	0.7
257.13730	1.5
257.24725	2.2
258.08881	0.8
265.14185	0.8
267.15839	1.9
283.15344	6.2
284.24860	0.6
299.14871	2.1
300.15430	0.9
301.16437	28.6
302.16846	0.8
313.27328	100.0
314.27628	4.1
318.16534	0.6
341.26834	1.9
437.36197	6.3
438.36737	0.5
455.37204	12.5
456.37674	0.8
463.21619	1.2
467.37286	32.2
468.37387	1.9
505.38834	1.6
521.38403	3.8
539.39294	18.5
540.39697	0.8
557.40479	2.9
701.44495	1.3
916.48584	0.7
917.50513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.1
69.03417	4.5
69.16386	5.3
71.01358	1.4
71.04982	1.0
71.08648	1.7
73.02907	4.8
79.05502	2.0
81.03403	4.3
81.07076	2.9
83.08618	1.5
85.02894	8.2
85.10169	1.3
91.03949	4.1
91.05489	1.2
91.71862	0.7
93.07009	1.1
95.08620	2.0
97.02882	7.7
97.06525	0.9
99.04462	1.4
101.02396	3.2
105.07042	1.3
107.04955	1.0
107.08590	1.6
107.95218	0.7
109.02878	1.4
111.04460	1.1
119.08636	1.0
127.03963	2.0
135.11722	1.0
145.10129	1.0
163.11247	3.1
185.04317	1.7
203.05458	1.1
209.11714	1.0
223.13324	1.5
240.89308	0.8
241.14592	1.2
243.08481	3.6
281.13614	6.0
313.27469	3.0
337.16217	2.0
347.09619	3.5
365.10535	1.5
405.13602	8.7
468.35580	1.0
497.30640	7.1
499.21423	13.9
544.39526	1.0
625.16309	1.1
629.23492	1.1
659.36273	8.1
661.26514	9.1
755.45715	2.8
917.50623	100.0
918.50653	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	918.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03865	1.1
65.19231	0.8
67.05393	11.6
67.05791	2.2
69.03330	1.7
69.03644	0.6
69.06955	4.0
70.71002	1.0
71.04876	2.1
71.05231	0.7
77.03802	0.8
79.05368	15.7
79.05872	1.8
81.03291	37.2
81.03824	4.5
81.06933	15.0
81.07439	1.7
82.03625	0.7
83.04855	3.8
83.08492	12.2
83.09024	1.3
85.02784	2.1
85.06457	1.4
91.05351	14.0
91.05975	1.4
93.06911	12.1
93.07543	1.1
93.11627	0.6
95.04831	18.6
95.08469	7.9
97.02751	2.1
97.06387	2.0
97.06967	0.7
97.10034	12.7
99.07940	0.8
103.05364	1.0
105.04423	0.8
105.06895	10.0
107.04814	12.6
107.05577	0.9
107.08443	8.8
109.02801	0.7
109.06366	8.1
109.10143	5.5
111.04295	0.9
111.07938	3.7
113.05824	0.8
115.05329	1.0
117.07011	4.1
119.08570	8.0
121.06502	8.8
121.10142	6.1
121.53562	0.8
123.04301	1.3
123.07907	2.7
125.05907	0.9
125.09618	12.7
128.06070	0.9
129.06993	7.5
131.04817	1.8
131.08566	7.1
133.06477	3.6
133.09972	2.8
133.20064	0.7
135.08046	4.3
135.11566	1.4
137.09497	1.1
141.06868	1.3
142.07646	2.0
143.08395	2.7
143.10492	0.9
145.06479	5.8
145.10028	3.6
147.04271	2.2
147.08046	3.9
147.11679	5.0
149.09578	4.6
153.09157	3.5
153.12631	0.9
155.08446	2.1
157.06387	1.5
157.10114	7.4
159.07924	1.1
159.11578	1.6
161.05865	1.1
161.09546	1.5
163.11169	3.3
163.77815	0.8
165.12601	1.5
167.08406	1.0
167.10611	1.7
169.09993	1.1
171.07918	1.6
171.10028	1.2
171.11560	1.7
173.09464	1.7
173.13065	1.3
175.07414	0.9
175.11160	7.2
177.12555	1.2
183.11569	1.1
185.09479	1.0
185.13182	1.4
187.11046	1.5
187.14708	1.1
189.08865	1.0
189.11053	5.9
189.12640	1.3
191.14204	0.8
193.10559	1.1
193.12213	16.8
195.11525	0.9
197.09355	1.3
197.13150	0.8
199.11041	1.2
205.15880	0.8
211.11049	0.8
211.13002	1.1
213.12593	1.6
215.14168	1.2
217.12064	1.4
219.13626	2.4
223.11108	1.1
223.13095	1.6
225.12695	0.9
227.12476	1.8
227.14476	0.8
231.13675	1.1
233.15204	2.9
235.13141	1.5
237.12549	1.4
237.14697	1.2
244.69420	0.8
249.14798	1.6
255.13673	2.0
259.12973	1.6
267.15884	47.4
268.16235	1.1
273.14786	7.6
283.16852	0.9
289.17828	0.8
293.17523	0.8
309.16891	1.2
339.23129	2.0
349.21722	3.9
357.24152	2.7
367.22610	11.1
385.23666	20.4
385.28598	1.1
403.24771	6.4
441.26437	7.7
459.27377	100.0
460.27487	4.7
477.28448	96.3
478.28769	4.5
491.29938	11.7
492.30280	0.8
501.28320	5.8
509.31064	5.0
513.28528	2.7
519.29706	0.8
531.29840	2.2
543.29590	2.1
555.30023	1.0
567.29413	5.1
585.30597	1.7
692.83685	0.8
952.07391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.3
67.05496	4.7
69.03428	2.6
69.07061	2.4
69.95645	1.0
70.06587	0.5
71.01349	0.8
71.05009	0.9
73.02907	3.4
79.05481	4.7
79.05872	0.3
81.03420	2.7
81.07046	4.2
81.07484	0.3
83.04996	1.2
83.08634	1.1
85.02892	5.3
91.03943	2.6
91.05478	4.9
93.07038	5.1
94.07369	0.3
95.04963	2.4
95.08591	2.9
97.02885	4.8
97.06567	1.0
97.10194	0.5
99.04476	0.7
101.02409	1.0
105.04536	0.4
105.07014	4.4
107.04992	1.4
107.08558	1.7
109.02890	0.6
109.06556	0.8
109.10172	1.5
111.14445	0.3
115.04012	0.5
115.05512	0.3
117.07050	1.1
119.08582	3.0
121.06504	0.4
121.10147	1.1
123.08069	0.6
125.09610	0.6
127.03967	1.3
129.05490	0.4
129.07011	0.9
131.08607	1.3
133.10121	2.6
135.11690	0.8
143.08611	0.7
145.05009	0.4
145.10138	1.3
147.08051	0.3
147.11713	1.5
149.09691	0.8
150.13435	0.3
159.11687	0.8
161.09631	0.4
161.13300	0.7
163.11229	0.8
169.03368	0.3
171.11765	1.3
179.14407	1.0
185.04221	0.7
190.71126	0.4
203.05252	0.8
229.14360	0.4
243.08356	2.6
247.13182	0.7
275.20120	0.7
281.17569	0.4
285.17264	0.4
300.27808	0.4
303.15701	0.6
311.97797	0.3
315.19263	2.6
335.25821	0.4
347.09427	2.0
363.09192	0.6
365.10519	0.6
371.22192	1.1
405.13654	6.3
439.01959	0.3
452.28354	0.3
463.30649	0.4
465.20923	8.0
465.26990	0.6
479.30002	0.7
480.30441	0.8
533.27051	7.5
543.36713	0.4
559.37305	0.5
627.26074	6.0
675.73578	0.4
695.32513	4.1
757.41345	1.7
831.05133	0.4
919.46503	100.0
920.46912	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	919.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.2
69.03423	2.3
69.07091	0.6
69.61651	1.4
71.01367	0.6
71.04997	0.7
71.08638	0.9
73.02909	3.1
73.23294	0.3
79.05505	1.3
79.62041	0.3
81.03415	2.6
81.06649	0.4
81.07037	1.9
83.04988	0.3
83.06076	0.3
83.08646	1.0
85.02905	5.0
85.10192	0.6
91.03963	2.6
91.05518	1.2
93.07073	1.3
95.04966	0.5
95.08632	1.1
97.02879	4.2
99.04483	1.0
101.02377	1.6
103.03944	0.4
105.07067	0.7
107.08611	0.6
109.02881	0.4
109.10216	0.5
115.04013	0.4
119.08574	0.7
121.10219	1.0
127.03956	1.3
129.07019	0.4
131.08624	0.7
131.56349	0.3
133.10199	0.5
147.11728	0.7
149.09677	1.0
150.68689	0.4
157.10167	0.4
175.11269	0.7
185.04298	1.0
193.12338	0.6
203.05298	0.7
213.19530	0.3
213.84558	0.3
225.14958	0.4
243.08319	1.7
249.15193	0.4
267.15973	0.5
283.15091	2.8
299.17551	0.3
313.27484	0.8
329.08658	0.3
330.89941	0.3
339.17816	0.6
347.09445	2.3
363.08868	0.5
365.10535	0.9
405.13644	5.9
405.18597	0.5
451.19031	0.4
469.20505	0.4
497.30994	5.4
501.23016	9.2
606.97223	0.3
659.36078	5.1
663.28247	8.5
664.29016	0.7
757.47021	2.6
919.52228	100.0
920.52380	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	919.523
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20299	1.8
67.05508	2.2
69.03419	3.6
70.80203	1.8
73.02936	3.6
73.05655	1.9
78.79355	1.8
81.03404	4.2
85.02925	4.4
91.03968	3.7
93.07046	2.5
95.08653	2.3
97.02924	4.0
98.24426	2.0
108.29572	1.8
109.02966	2.3
127.03944	1.7
176.96800	1.8
192.08354	2.1
200.54248	1.8
254.14465	2.1
283.15280	2.3
313.27225	2.1
316.04260	1.8
322.20297	1.9
347.09613	3.1
405.13614	8.3
497.31024	6.2
501.22855	11.6
659.36359	4.3
663.28424	11.9
757.47516	3.6
919.52216	100.0
920.51019	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	920.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.9
66.04689	0.6
67.05498	61.6
69.03419	6.6
69.07060	16.4
69.24264	1.6
69.24651	1.3
71.01323	1.3
71.04989	4.3
71.08611	0.7
73.02911	6.5
77.03909	1.3
79.05486	49.2
80.06246	1.3
81.03410	14.2
81.07048	57.6
82.04198	3.6
83.04969	11.4
83.08611	13.3
84.94360	0.6
85.02898	18.7
85.06522	3.9
87.04401	0.9
91.03957	9.4
91.05471	34.2
92.06260	0.6
93.07033	52.5
94.07771	1.0
95.04347	0.7
95.04958	16.7
95.08596	41.4
96.05692	0.7
97.02341	0.7
97.02876	10.0
97.05975	0.7
97.06516	8.3
97.10159	13.2
98.07300	5.2
99.04427	1.7
99.08042	1.3
101.06001	1.3
103.05416	0.6
103.31319	0.6
105.04501	1.6
105.07017	24.8
107.04939	4.9
107.08582	29.7
108.73515	0.6
109.02821	1.2
109.06508	5.3
109.10143	24.5
111.04424	1.7
111.08068	4.8
112.35231	0.7
113.05976	0.7
115.03889	0.9
115.05424	1.2
116.04705	10.4
116.06133	0.6
117.05547	0.9
117.06293	0.9
117.07006	10.9
118.07747	0.7
119.07755	1.2
119.08566	20.7
119.09405	1.2
120.09360	0.8
121.06449	2.1
121.10136	22.9
123.08054	6.6
123.11694	6.1
125.09613	12.9
127.03896	3.4
127.11155	1.4
128.06235	1.0
129.05466	23.5
129.06920	5.2
130.07764	0.7
131.08549	17.0
133.06445	1.0
133.10118	16.0
135.08005	2.1
135.11674	15.4
136.08789	1.0
137.09602	3.7
137.13202	1.2
139.07512	0.8
139.11119	1.6
142.07689	0.8
143.07013	5.3
143.08485	2.5
143.10573	0.7
145.04973	4.5
145.06477	1.4
145.10109	11.6
147.07990	2.3
147.11671	12.5
149.09584	3.7
149.13240	7.8
151.11105	2.2
151.14804	1.0
153.09106	0.8
153.12698	1.6
155.08501	1.5
155.10655	1.0
157.08562	10.5
157.10069	6.8
159.11687	7.0
161.09561	0.9
161.13228	6.0
163.06012	3.7
163.07240	0.8
163.11172	4.9
163.14787	3.3
165.12729	2.2
167.10612	0.6
169.10097	1.2
171.06464	1.0
171.10112	3.9
171.11630	2.2
173.04529	0.6
173.09502	1.3
173.11681	3.5
173.13226	5.8
175.11162	4.0
175.14786	2.4
177.12689	1.0
177.16347	1.4
181.10143	0.6
181.12149	1.3
183.11678	1.1
185.11668	1.4
185.13255	2.4
187.14764	2.2
189.11198	5.7
189.16354	0.8
191.10582	1.8
191.14267	0.7
193.12206	9.9
195.11690	0.7
195.13750	0.9
199.13284	3.9
199.14865	0.8
200.14008	1.6
201.14706	0.7
209.11719	4.3
211.13222	5.5
211.14851	0.8
217.14355	0.9
217.19679	0.6
227.12738	9.9
229.14310	7.5
233.22578	0.8
241.19370	1.6
243.21013	3.8
247.16493	0.7
255.15935	1.8
257.18921	0.7
259.20529	2.2
261.22104	14.2
267.15851	6.7
269.17377	1.0
275.20117	1.2
277.21588	4.9
279.23047	0.8
283.15332	6.3
285.16940	2.7
289.21518	0.6
299.14862	0.7
299.23779	0.9
301.16422	65.2
302.16788	1.3
307.18851	0.7
315.23245	1.4
317.24744	3.4
327.23187	0.8
333.24362	0.9
335.25769	79.1
336.26062	2.4
351.25336	1.6
371.25439	0.8
389.26828	1.9
433.30280	0.8
435.32867	1.0
449.29050	0.9
451.31970	1.2
459.35165	0.7
463.30103	0.6
469.32770	1.2
489.35483	1.6
521.22327	0.6
525.35669	1.9
527.37360	6.1
543.36609	9.3
544.37189	1.7
545.38306	2.9
561.37793	100.0
562.38190	4.0
579.38867	0.8
601.01599	0.7
625.36102	0.9
764.68286	0.8
830.44934	0.7
920.49323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.7
65.49913	0.8
67.05497	54.9
69.03422	4.7
69.06710	1.0
69.07059	13.4
70.04180	1.1
71.01315	1.1
71.04967	3.5
71.08600	0.7
73.02909	8.5
79.05485	45.4
80.06261	1.5
81.02962	1.2
81.03411	14.7
81.07050	49.5
82.04188	3.6
83.04975	11.1
83.08614	12.3
85.02395	1.4
85.02895	18.7
85.06540	2.4
87.04466	1.1
91.03947	9.6
91.05472	31.7
93.07035	39.1
94.07838	0.9
95.04960	13.8
95.08597	31.4
96.04481	0.9
96.05746	0.8
97.02876	10.3
97.06512	9.0
97.10162	13.1
98.07307	5.1
99.04447	1.3
99.08083	1.8
101.06001	1.6
103.05482	1.1
105.04473	2.2
105.07013	19.2
107.04953	5.3
107.08585	25.1
109.02883	0.9
109.06506	3.1
109.10139	20.3
111.04414	1.1
111.08090	4.8
115.03944	1.4
116.04697	11.2
117.06990	7.6
119.08564	15.5
121.06464	1.8
121.10136	18.2
123.08051	5.2
123.11700	5.2
125.09615	11.5
127.03902	3.7
127.11194	1.0
128.06210	1.1
129.05466	29.1
129.06914	4.7
131.08551	14.1
133.06514	1.8
133.10118	13.6
135.08025	2.7
135.11678	11.9
136.08827	0.8
137.09605	3.3
137.13240	1.7
142.07782	0.9
143.07022	7.0
143.08546	1.7
145.04933	2.8
145.06485	0.7
145.10121	8.8
147.08029	2.2
147.11688	9.2
149.09581	3.6
149.13266	5.3
151.11179	1.5
153.09076	1.6
157.08591	14.8
157.10094	5.2
159.07907	1.0
159.11646	6.4
161.13240	2.9
163.05956	4.2
163.11191	4.6
163.14835	2.4
165.12732	1.4
169.10072	1.2
171.10161	5.8
171.11714	2.2
173.11737	2.2
173.13249	5.0
175.11179	3.0
175.14778	1.3
181.12170	1.5
185.11720	1.2
185.13245	2.0
187.14824	2.6
189.11157	7.6
193.12215	8.0
199.13261	3.3
199.14868	0.9
200.14061	2.6
201.16232	0.8
206.85979	0.8
209.11740	1.4
210.12524	1.4
211.13275	6.7
227.12756	11.7
229.14354	5.4
236.17343	0.7
242.01967	0.9
243.15842	1.2
243.21091	3.4
255.15962	1.2
259.20557	2.4
261.22122	9.7
267.15900	6.8
277.21597	3.3
283.15335	3.1
285.16901	3.4
286.32516	0.9
297.22220	1.0
301.16425	100.0
302.16806	1.7
315.23071	2.0
317.24686	1.1
333.24420	1.3
334.92365	0.8
335.25748	58.0
336.26132	1.0
351.25275	2.0
455.26254	0.9
459.34158	0.9
467.97565	0.8
489.35632	1.8
493.61679	0.9
507.99252	1.0
515.36780	1.1
527.37433	7.9
531.22137	1.0
543.36688	2.7
545.37921	2.2
548.98047	0.8
561.37775	50.0
562.37677	1.8
579.38623	1.5
596.52045	0.9
625.35913	1.2
789.17236	0.8
806.98132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.6
67.05495	49.0
69.03427	4.2
69.07063	16.1
71.04984	7.6
71.42889	1.1
73.02909	3.0
73.62443	1.2
76.13299	1.2
77.03903	1.7
79.05482	52.1
79.05949	2.5
81.03407	42.4
81.07047	47.0
82.07410	1.4
83.04979	11.8
83.08616	18.7
85.02892	23.1
85.06527	4.9
91.03938	5.0
91.05472	75.1
93.07032	54.4
94.07335	1.3
95.04958	27.7
95.08593	31.9
97.02886	7.6
97.06520	6.8
97.10178	6.9
99.04426	2.5
99.08112	1.6
103.05439	2.5
105.04522	2.6
105.07016	68.9
107.04933	8.8
107.08578	27.8
109.06512	4.2
109.10138	15.5
111.04405	2.6
111.08075	8.6
115.05414	3.4
117.07006	17.1
119.08564	54.6
121.06473	4.7
121.10121	21.3
121.10965	1.6
123.08060	3.7
123.11701	3.5
125.09615	2.8
127.03900	1.3
128.06169	1.8
129.05492	1.7
129.06995	18.0
130.07854	1.9
131.08559	30.2
133.06438	2.5
133.10110	41.1
135.08046	2.5
135.11678	14.9
137.09595	1.9
137.13242	1.1
141.06960	2.7
142.07791	4.4
143.08530	10.9
145.04950	1.6
145.10104	22.6
147.08061	3.2
147.11662	40.6
148.12071	1.2
149.09587	8.1
149.13251	8.6
155.08536	2.7
157.10098	18.7
159.11662	16.5
161.09644	1.8
161.13220	21.5
163.06036	2.2
163.11139	4.9
163.14864	1.4
165.12753	2.9
167.08519	1.6
169.10121	4.3
171.11667	10.6
173.09645	2.2
173.11829	2.2
173.13202	9.6
175.11183	10.3
175.14815	7.4
177.12694	2.1
181.10065	2.7
183.11653	3.1
185.13269	10.3
187.14789	4.2
193.12201	29.2
195.11658	1.7
197.13248	2.5
199.14796	5.4
203.14268	1.5
207.11690	1.8
209.13329	2.6
211.11189	1.9
211.13220	34.6
213.12602	1.2
213.16438	2.3
215.18071	1.4
227.12721	3.7
229.14368	3.8
231.20981	6.7
241.19478	26.9
243.20964	2.1
257.18961	3.7
259.20551	69.5
260.21005	1.6
262.58981	1.3
267.15857	19.6
269.17401	2.1
275.19986	1.6
277.21652	3.3
283.15305	3.7
285.16910	48.8
286.17145	2.0
297.22180	2.6
299.23663	2.1
315.23169	8.9
325.21552	1.4
333.24185	55.7
334.24643	1.9
339.23233	1.4
353.24911	1.4
385.23157	1.4
423.32678	1.9
433.30875	8.7
451.31885	10.4
469.33041	4.2
471.31696	1.5
487.34122	1.6
507.34647	3.6
515.37207	4.8
525.35724	40.0
526.35651	3.0
543.36743	100.0
544.37061	5.8
561.37366	4.7
635.68524	1.6
651.38501	1.6
665.87976	1.6
669.39905	2.3
687.40247	2.9
705.41479	1.6
921.44659	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.4
67.05497	65.9
69.03425	5.4
69.07053	15.7
69.67503	4.1
69.67889	4.3
71.04990	6.7
72.31116	1.9
73.02930	4.4
79.05486	65.2
81.03410	55.1
81.07047	65.6
82.07373	2.5
83.04972	16.3
83.08607	29.1
85.02898	29.4
85.06521	4.7
91.03961	7.9
91.05470	89.2
92.05783	2.9
93.07038	56.0
95.04961	32.1
95.08598	36.5
97.02884	7.3
97.06522	10.5
97.10159	6.4
99.08053	2.2
105.04508	3.7
105.07021	80.9
107.04952	11.0
107.08575	36.8
109.06495	10.9
109.10148	15.8
111.04434	3.4
111.08065	9.3
115.05448	3.0
117.07007	18.9
119.08571	70.7
119.09424	4.0
121.06495	5.1
121.10132	28.5
123.08070	5.2
123.11719	4.8
125.09605	4.1
127.03902	2.9
128.06204	4.7
129.06990	20.3
131.08546	37.2
133.06488	4.3
133.10114	49.0
135.08087	4.9
135.11684	17.0
137.09616	3.0
141.06966	2.3
142.07806	2.0
143.08562	11.4
145.10114	25.9
147.08043	7.8
147.11664	43.3
148.54012	1.9
149.09634	10.1
149.13252	10.2
151.11203	2.4
155.08531	3.7
157.10115	25.8
159.11665	17.1
161.13220	20.5
163.05978	4.0
163.11148	3.4
163.14769	2.4
165.12709	2.9
167.08554	1.8
169.10162	3.3
169.48712	1.8
171.11656	14.3
173.13206	9.4
175.11157	14.1
175.14803	8.2
178.36435	1.9
181.10228	2.8
181.12128	2.3
183.11588	4.2
185.13264	9.4
187.14876	2.2
193.12213	37.1
197.13280	2.1
199.14856	4.7
209.13298	2.9
211.13251	46.9
211.15083	3.5
213.16457	1.9
219.17313	2.2
227.12805	10.7
229.14357	4.3
231.21159	4.4
241.19440	20.1
249.14597	2.5
257.18942	3.5
259.20535	59.0
267.15903	23.2
269.17514	5.8
275.20114	4.5
283.15381	4.6
285.16925	61.7
286.17496	2.7
297.21899	2.6
315.23193	7.1
333.24194	52.8
342.95413	2.0
349.23883	2.8
389.61844	1.9
415.30063	2.8
433.30923	6.3
435.27353	2.6
451.31970	8.1
463.30728	1.9
469.33057	3.8
507.35019	3.9
515.37128	5.8
525.35773	38.7
526.35699	2.9
543.36755	100.0
544.36865	5.9
560.36816	2.4
561.37262	4.7
669.75598	2.5
687.40576	3.4
824.37708	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	920.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	58.5
68.42680	3.6
69.03419	5.4
69.07063	12.8
71.04996	17.2
71.43611	4.9
73.02885	5.0
79.05487	30.7
81.07046	79.6
83.04957	3.8
83.08603	5.3
83.60407	3.3
85.02912	7.6
85.06512	8.1
91.05472	32.6
93.07037	37.6
95.04964	5.2
95.08592	26.8
97.02844	7.5
97.06512	5.0
99.08070	3.7
105.07014	20.1
107.08545	18.2
109.10142	13.8
117.06997	6.5
119.08565	9.2
121.10148	18.1
123.11674	10.3
131.08562	8.7
133.10118	21.3
135.11665	8.9
145.10091	4.6
147.11749	3.4
149.13184	6.2
151.11142	6.2
159.11674	6.5
176.66023	3.7
207.98112	3.4
269.17422	5.8
278.05719	3.3
301.19974	22.2
328.86563	3.8
335.25775	21.1
396.40158	4.0
462.22153	3.6
485.35999	7.0
503.37180	86.0
529.38879	29.1
561.41473	100.0
573.19879	4.0
843.45801	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	920.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03529	1.6
65.03917	1.9
67.05498	51.6
69.03410	3.3
69.07071	9.1
70.60563	3.6
71.04987	13.4
73.02908	2.2
79.05480	31.8
81.03460	2.1
81.07050	70.8
83.04967	4.5
83.08621	6.8
85.02911	10.3
85.06547	5.1
91.03962	5.4
91.05473	27.1
93.07032	36.9
95.04958	4.9
95.08601	25.4
97.02876	4.2
97.06505	2.4
97.10156	3.0
105.07026	13.8
105.93258	1.6
107.08582	19.8
109.06542	3.2
109.10130	10.8
117.07008	4.3
119.08601	5.5
121.10130	13.2
123.11713	12.8
131.08571	8.5
133.10104	18.3
135.11681	8.1
143.08578	2.0
145.04962	2.1
145.10135	4.3
147.11673	4.4
149.13231	4.8
151.11188	4.8
159.11708	4.9
175.14926	1.9
180.18564	1.9
183.13899	2.9
187.13251	3.9
187.14757	2.7
190.82423	1.6
261.22208	2.8
269.17499	4.2
301.20078	9.8
335.25793	20.7
390.99524	1.9
395.63223	1.8
503.37231	64.7
504.37646	3.0
517.38977	2.7
529.38916	11.7
537.55450	1.9
561.41437	100.0
562.41669	6.3
705.44586	3.0
920.49762	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	921.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.6
67.05499	8.7
67.05865	0.4
68.05847	0.9
69.03424	3.3
69.07068	2.1
70.07416	0.3
71.01359	0.4
71.05004	1.3
71.42348	0.3
73.02906	3.1
73.06558	0.3
75.04452	0.2
79.05484	7.3
79.71079	0.3
80.05818	0.6
81.03415	3.3
81.07047	8.1
81.07496	0.5
82.03748	0.2
82.07391	0.7
83.04974	1.7
83.08616	1.5
85.02897	4.7
85.06541	0.5
87.04455	0.5
87.57865	0.2
91.03947	2.4
91.05471	6.6
93.07037	7.8
94.07376	0.7
95.04965	1.8
95.08597	3.9
95.67802	0.2
97.02878	4.8
97.06541	1.0
97.10186	0.7
99.04466	0.7
101.02359	1.5
105.04534	0.7
105.07018	4.9
106.07362	0.5
107.04969	0.9
107.08585	3.9
108.08916	0.6
109.02837	0.5
109.06521	1.1
109.10133	2.4
110.10458	0.3
111.04417	0.4
111.08089	0.7
115.03891	0.3
117.07006	1.9
119.08565	3.8
120.08941	0.5
121.06503	0.4
121.10130	2.7
123.08048	0.4
123.11707	0.5
125.09642	0.5
127.03905	1.5
129.05559	0.6
129.06996	1.2
131.08548	2.3
132.08876	0.5
133.10101	2.8
134.10454	0.3
135.08081	0.6
135.11671	1.5
136.12065	0.3
137.09613	0.4
142.45944	0.3
143.08603	0.6
145.04916	0.4
145.10114	2.1
146.10452	0.4
147.11665	2.5
149.09679	0.6
149.13245	1.6
150.13554	0.4
155.08525	0.3
157.10162	0.6
159.11740	1.1
161.09644	0.5
161.13295	1.2
162.13774	0.3
163.11234	0.9
171.11713	0.9
173.13327	0.5
174.36960	0.3
177.12766	0.5
185.04237	1.0
189.12845	0.3
195.13782	0.3
201.03755	0.4
203.05263	0.6
207.13893	0.3
209.11786	0.3
227.12743	0.4
228.13127	0.3
229.14299	0.6
230.14682	0.3
241.19374	0.5
243.08415	1.6
247.13145	0.9
248.41373	0.3
259.07935	0.5
259.20676	1.0
260.20996	0.7
261.22226	0.3
267.16025	0.7
269.17426	3.1
269.19867	0.3
270.17896	1.2
275.20081	0.6
281.17487	0.4
283.15540	0.6
284.15659	0.3
301.09067	0.8
301.16476	0.7
302.16855	0.4
303.15833	0.5
313.08893	0.3
315.22986	0.3
317.20712	0.3
333.24304	0.9
334.24664	0.3
335.25772	1.6
336.26053	0.3
347.09448	2.5
359.18774	0.3
363.09167	1.0
365.10638	0.9
405.13620	5.8
405.18643	0.4
463.13901	0.6
463.31015	1.3
464.31183	0.8
465.20914	6.9
465.26956	0.5
477.15857	0.5
516.38055	0.3
527.37506	1.0
528.37860	1.1
535.28729	4.2
535.36084	0.5
537.22583	0.3
543.37000	0.7
544.37354	1.0
545.38507	0.6
546.39075	0.4
559.23871	0.4
561.37488	0.6
562.38147	0.8
599.26636	0.5
627.26154	6.8
657.27924	0.6
697.34015	3.7
699.28802	0.8
759.42859	1.0
783.37463	0.3
894.28308	0.3
921.48004	100.0
922.48248	5.7
958.36060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31840	0.4
67.05507	1.6
69.03117	0.4
69.03426	2.4
69.07080	0.5
71.04992	1.6
71.31342	0.4
73.02915	2.7
74.47807	0.4
79.05500	2.6
81.03409	3.8
81.07043	2.2
81.43570	0.4
82.22189	0.4
83.01371	0.5
83.04979	0.8
83.08614	0.8
85.02903	4.5
87.04491	0.5
88.08710	0.4
91.03931	2.8
91.05499	2.8
93.06536	0.5
93.07017	2.2
95.04970	1.5
95.08617	0.8
97.02885	4.7
97.06552	1.0
99.04491	0.8
101.02407	1.5
105.07048	1.9
106.94702	0.4
107.08553	1.0
107.53141	0.4
109.02908	0.9
109.06513	0.6
119.04967	0.6
119.08597	1.1
121.10161	1.7
127.03946	1.4
129.07008	0.7
131.08589	1.5
133.10121	0.7
137.06006	1.3
143.03351	0.5
147.11757	1.2
149.09642	2.0
150.26527	0.5
153.01796	1.0
156.22876	0.4
157.10168	1.4
167.07103	0.5
175.11244	1.0
185.04286	0.6
193.12321	2.0
225.14890	0.8
243.08527	1.7
267.16064	1.0
283.15097	5.1
283.17670	0.4
339.17911	1.4
347.09473	2.2
365.10559	1.0
392.76495	0.5
405.13589	5.9
405.17825	0.4
453.33032	0.6
469.20679	0.7
501.23029	14.9
663.28290	15.7
664.28510	0.7
761.38977	3.1
923.44464	100.0
924.44952	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	923.46
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.5
67.05498	3.3
69.03422	2.7
69.07058	2.9
70.55293	0.9
71.01343	0.6
71.05013	0.5
73.02908	2.9
74.28152	0.4
79.05482	2.7
81.03418	3.2
81.07057	3.1
82.46191	0.3
82.49387	0.3
83.04975	1.3
83.08629	1.1
84.68734	0.3
85.02895	4.8
86.13883	0.4
91.03934	2.8
91.05463	3.4
93.07029	2.2
95.01295	0.5
95.04961	1.3
95.08588	2.1
97.02885	4.5
97.06525	1.0
97.10194	0.5
99.04465	0.9
101.02391	1.6
103.03925	0.4
105.07017	3.5
107.04987	1.1
107.08572	0.8
108.34511	0.5
109.02895	0.8
109.10143	0.9
111.08104	0.6
113.09669	0.4
117.07001	0.9
119.08559	2.0
121.10120	0.7
127.03929	1.3
131.08598	1.1
133.10094	2.0
135.11649	0.7
137.98973	0.4
141.05389	0.4
145.10130	0.5
147.11789	0.5
149.09608	1.1
159.11697	0.7
163.11229	0.5
179.14337	0.8
185.04276	0.6
193.12364	0.5
218.70270	0.4
243.08374	2.1
251.12550	0.8
275.20178	1.1
295.00684	0.4
307.15332	0.5
315.19250	2.1
337.71432	0.4
347.09631	2.2
365.10876	0.6
371.22156	1.1
405.13678	5.7
449.52597	0.5
469.20273	6.1
533.27155	8.8
599.35706	0.5
631.25592	4.0
695.32080	6.1
761.40747	1.8
879.57745	0.5
923.45966	100.0
924.46173	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	925.476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.6
67.46204	0.6
69.03108	0.5
69.03415	3.3
69.07074	1.0
71.01343	0.7
71.17838	0.7
73.02913	4.6
79.05506	2.6
81.03419	2.9
81.07056	3.2
83.04984	1.1
84.01917	0.7
85.02901	6.8
91.03953	3.8
91.04453	0.6
91.05494	2.2
91.52732	0.5
93.07059	2.6
95.04995	1.5
95.08612	1.7
97.02884	7.4
99.04462	1.1
101.02403	2.7
103.04010	0.7
105.07048	1.3
105.55000	0.5
107.08610	1.6
109.02856	1.0
109.10167	2.1
117.05496	0.9
119.08618	1.1
121.10161	1.8
125.02090	0.8
127.03882	2.1
127.11147	0.6
129.05484	1.4
131.08588	1.1
133.10178	1.0
135.11690	0.7
139.03743	0.6
141.05202	0.7
163.11250	0.7
169.04727	1.1
185.04201	4.2
201.03632	3.8
203.05362	2.3
227.05257	0.8
243.08502	2.5
257.06409	1.4
259.08008	0.8
261.91583	0.6
301.08884	6.8
315.10602	1.6
319.10153	2.5
327.10703	0.7
329.08615	1.1
341.12054	0.7
347.09433	15.0
357.15417	0.9
363.08881	6.0
365.10568	1.7
373.11047	0.9
383.16873	1.3
385.18271	3.1
405.13654	8.1
413.18036	2.3
439.19662	0.7
463.14175	11.7
469.20291	1.5
477.15781	3.4
489.15576	1.0
503.17648	1.4
513.25537	0.8
517.19226	1.1
519.21021	1.5
519.29443	5.2
531.20514	0.7
533.22607	1.1
535.16321	4.0
545.21814	1.4
547.23529	6.6
549.18317	1.0
577.20978	1.4
577.29791	1.1
579.31244	0.7
591.22565	2.6
591.31299	1.0
607.31189	0.9
611.29608	0.7
631.25891	2.1
645.26648	0.7
645.40167	0.7
671.28760	2.0
681.34589	13.3
685.30536	0.8
697.32904	1.7
711.30573	0.8
723.38806	1.7
740.35907	8.7
741.36688	1.7
753.36407	5.9
755.38489	5.9
767.38269	1.4
768.39508	0.8
781.38611	2.3
795.40503	1.6
823.44501	5.2
824.45111	5.7
839.40820	1.0
841.44733	1.1
863.48859	1.1
865.45007	1.5
879.47076	1.7
907.45996	3.1
908.47534	1.6
925.47449	100.0
926.47821	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	925.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.0
69.03419	3.8
69.06988	2.1
69.07384	1.6
71.01349	0.5
73.02901	4.1
73.44711	0.5
73.78316	0.5
77.31335	0.4
79.05477	2.5
81.03419	2.5
81.07043	4.0
83.04992	0.8
83.08626	0.7
84.01923	0.6
85.02895	7.1
91.03944	4.4
91.05505	1.9
93.07038	3.1
95.04997	0.8
95.08641	2.3
97.02891	6.7
97.10194	0.8
98.23441	1.1
99.01641	0.5
99.04477	1.5
101.02374	2.5
105.07075	0.6
107.08620	1.6
109.02869	1.1
109.10197	1.6
117.07030	0.7
119.08646	1.1
121.10149	1.3
123.04144	0.9
127.03901	3.1
129.05450	0.7
129.88780	0.5
131.08670	0.6
133.10172	0.8
135.11766	0.9
145.04921	1.0
145.10204	0.6
147.11739	0.5
185.04185	3.4
201.03773	1.9
203.05347	2.0
229.14410	0.6
241.06984	0.6
243.08504	2.0
257.06558	0.9
259.08011	1.1
275.07462	1.2
301.09000	3.4
315.10635	1.6
319.09888	0.6
329.08530	1.8
335.25830	1.3
347.09418	12.9
347.13321	0.8
363.08957	6.8
363.13190	0.6
365.10742	1.6
369.15353	0.7
373.11078	0.7
383.16931	1.0
385.18488	1.3
405.13629	6.6
413.17896	1.2
429.17188	0.8
463.14160	8.7
469.20956	0.8
477.15781	2.9
517.19098	0.8
519.20740	1.7
519.29474	5.8
531.20453	0.9
533.21948	1.1
535.16290	3.4
545.21979	0.8
547.23328	5.0
548.40320	0.7
557.21906	0.7
577.21320	0.7
577.29602	0.7
585.28900	1.1
591.22601	1.0
591.31879	0.8
611.29761	0.8
619.25580	1.3
631.26105	1.8
661.39215	1.1
671.28925	1.3
675.31543	0.7
681.34467	14.2
681.45306	0.9
685.29956	0.6
691.40839	0.9
711.31494	1.2
715.33594	0.7
723.38928	0.9
725.33417	0.8
740.35834	7.4
753.36475	4.5
755.37976	3.6
756.38965	0.9
767.38428	1.7
781.39709	2.1
795.41107	1.5
823.44263	4.5
824.45142	4.3
841.45624	0.9
863.47217	1.0
865.45105	1.2
879.48297	1.1
907.45453	2.7
908.47131	1.3
925.47198	100.0
926.47333	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	925.6025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.6
67.05498	2.9
69.07061	4.8
69.76571	0.8
69.76922	0.6
71.04992	0.6
71.08620	1.2
74.66786	0.3
79.05484	5.5
81.07049	54.3
82.07384	0.6
83.04949	0.5
83.08649	0.4
87.04474	0.4
91.05487	1.8
93.07039	3.3
95.05006	0.3
95.08595	1.7
97.06508	1.2
97.10153	0.7
98.22710	0.3
99.08083	26.4
105.07014	4.2
107.08588	7.4
109.06493	1.3
109.10146	7.2
109.10879	0.4
111.08117	0.4
115.05464	0.5
117.06989	0.8
119.04952	0.6
119.08556	2.5
121.06517	1.4
121.10137	1.3
123.04445	0.6
123.08097	0.7
125.09620	14.1
127.11187	3.5
129.06995	0.8
131.08566	3.0
133.10135	2.6
135.08051	1.0
135.11684	0.4
135.96155	0.3
137.05977	1.3
141.06964	0.8
142.07748	0.5
143.08557	3.8
143.10664	10.8
145.06424	0.8
145.10118	5.2
146.76097	0.3
147.08073	1.8
147.11665	1.2
155.08534	3.2
157.06474	0.6
157.10104	2.5
159.08051	1.6
159.11674	1.4
161.09633	1.1
161.11743	0.5
161.13205	0.4
165.07001	0.7
167.08571	0.7
168.09390	0.5
169.10100	2.6
171.08031	2.2
171.11703	1.4
172.08868	0.5
173.09586	3.5
173.13297	0.6
175.11206	1.3
177.09193	0.4
179.08537	1.0
180.09293	0.4
181.06493	0.4
181.10065	2.4
182.10945	1.2
183.11682	2.6
184.12396	0.4
185.09645	1.4
185.11787	0.4
185.13171	2.1
187.11201	0.7
189.09085	1.8
191.10733	1.3
192.09320	0.6
193.10081	1.9
194.10913	0.6
195.08185	0.6
195.11697	3.2
196.12416	0.6
197.09613	1.6
197.13240	5.2
198.10440	0.4
198.14117	0.5
199.11165	1.6
199.14839	0.9
201.12668	0.4
205.10133	1.0
207.10100	0.8
207.11761	1.6
208.08784	0.6
209.09613	1.1
209.11469	0.5
209.13350	2.3
210.10429	0.9
210.14005	0.6
211.11176	1.3
211.14838	2.2
212.11919	0.7
213.12744	2.6
213.16362	0.6
215.14348	1.2
217.10056	0.6
218.10843	0.5
219.11652	0.8
221.09697	0.7
221.13231	2.2
222.10457	0.4
222.13933	0.7
223.11168	2.6
223.14761	1.9
225.12703	4.3
226.13612	0.6
227.14297	1.3
232.12468	0.9
233.13245	1.1
234.14120	0.5
235.11206	0.8
235.14757	1.7
236.11908	0.6
237.12730	1.3
237.16371	3.8
239.14270	2.8
239.17947	0.4
241.15886	0.7
245.13329	0.5
247.14870	1.7
248.15637	0.4
249.12601	0.7
249.16434	0.9
250.13449	1.8
251.14407	0.6
251.18065	0.3
253.12273	0.4
253.15816	0.6
253.19484	1.1
255.17380	1.9
256.12241	0.3
259.14743	0.4
261.16324	0.5
263.14255	0.9
264.14743	0.4
265.15842	4.7
267.17447	1.0
268.14658	0.5
273.18604	0.9
277.16086	0.4
281.15329	1.1
281.18939	0.6
282.16147	0.4
283.16907	15.7
284.17429	0.7
285.18649	1.0
286.15701	0.6
289.19415	0.7
291.17471	0.8
293.15536	0.5
293.19012	0.6
299.16293	3.8
299.18970	0.3
300.17313	0.9
301.17953	100.0
302.18399	3.7
303.19540	14.3
311.19977	2.1
313.21658	0.5
317.19028	1.4
323.23514	0.4
325.17984	0.8
327.19562	0.9
329.21033	9.4
329.24823	0.6
335.19983	1.9
339.19696	0.8
341.20911	0.5
345.25702	0.4
353.21100	5.7
354.21921	0.9
359.84589	0.4
371.21982	0.8
373.25171	0.4
391.26373	1.3
409.27347	24.2
410.28021	0.9
427.28397	39.3
428.28815	1.2
445.29456	10.1
463.30484	50.4
464.30780	1.7
500.43420	0.4
565.96576	0.3
814.13617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76955	1.3
73.35365	0.5
78.04697	0.5
79.05472	0.9
89.03905	9.6
91.05473	3.1
93.41269	0.4
94.04167	0.7
95.04952	1.3
98.22971	1.4
103.05457	15.4
105.07022	4.9
107.04933	2.0
115.05426	1.2
117.03362	25.6
117.07056	1.0
119.04930	0.9
121.06459	1.0
122.03632	2.2
131.04910	28.5
133.06485	3.9
134.02647	0.5
134.03641	1.8
135.04395	1.8
137.05957	21.2
143.04822	0.8
145.02829	62.5
146.03220	0.9
147.04420	1.1
149.05972	10.5
149.07161	0.5
150.06535	0.8
151.03864	1.4
151.07539	0.8
158.03619	0.6
160.05249	0.7
161.05966	5.3
162.06625	0.7
163.03900	1.7
163.07521	7.6
165.06987	0.5
165.09082	1.6
173.05972	1.1
174.06703	0.6
175.03877	0.6
175.07529	2.2
177.05446	100.0
178.05827	1.7
186.03101	0.9
186.05469	1.9
187.07491	0.7
189.05437	3.6
189.06975	0.9
189.08727	0.5
191.06876	0.6
194.07195	0.8
201.05394	6.7
201.09132	0.9
203.06927	0.8
205.06476	2.3
206.07234	1.2
207.08096	0.6
217.65918	0.5
219.08000	1.4
219.10100	2.6
221.05992	0.7
222.06705	1.4
231.06471	0.9
233.05954	2.9
233.09607	1.1
234.06767	3.1
235.07513	2.2
237.09074	2.4
241.04552	0.5
247.05701	0.8
247.07834	0.6
248.08286	0.6
249.05328	0.8
249.09081	2.0
250.06107	2.4
251.07034	1.0
253.08731	0.5
259.07379	0.5
261.05408	1.0
261.09088	0.9
262.06110	2.1
263.06964	1.6
264.07751	1.3
265.08566	6.1
274.06213	0.6
275.06879	0.6
276.07672	0.6
277.05731	0.5
277.08582	3.2
278.05707	1.1
278.08984	0.5
279.06711	0.6
279.09857	1.1
280.07071	0.6
281.08185	0.6
281.11697	1.6
282.08743	1.0
283.09641	0.9
289.08496	0.9
290.05545	2.2
291.06592	0.8
291.10144	0.8
292.07224	3.5
293.08008	4.1
293.11298	0.9
294.08707	1.2
295.09506	2.5
297.11255	2.6
297.14008	0.5
305.08078	3.9
307.09610	8.1
308.10526	0.5
309.11179	4.5
310.08441	0.6
310.11926	2.0
321.11160	1.6
322.11887	1.9
323.08987	1.9
323.12659	0.9
325.10654	18.3
325.14084	0.9
326.10794	0.7
331.09610	0.6
333.11163	0.8
335.08990	2.0
337.10663	9.2
340.12860	1.1
341.13879	0.7
343.15292	1.8
349.10602	1.5
355.11771	1.1
361.10492	0.8
377.10080	6.3
379.11710	0.6
395.10327	0.6
395.15244	2.2
443.14795	1.3
457.16064	0.7
459.13904	0.7
467.14896	0.6
469.16165	0.6
485.15927	2.7
497.15695	1.2
501.14996	2.2
503.16666	0.5
517.18567	0.9
525.19141	0.6
543.20190	3.3
567.03064	0.6
589.20203	0.9
667.24854	1.8
679.24658	0.7
737.24622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44778	0.7
65.03928	0.9
65.94850	0.6
69.03416	5.1
69.19582	4.3
71.04989	0.8
73.02896	0.9
79.05515	1.0
81.03391	2.2
81.07045	0.7
85.02895	8.7
87.04473	1.2
91.05479	2.3
95.04971	1.4
97.02895	3.2
103.05448	1.9
105.07030	2.2
107.04938	1.9
109.02866	1.2
109.06442	0.8
115.05466	1.3
119.04950	2.2
119.35622	0.6
121.02889	0.8
121.06503	1.8
122.71059	0.7
123.04436	1.2
123.08105	1.0
125.05991	0.8
127.03912	2.1
129.06970	0.9
131.04942	2.4
133.02846	2.9
133.06468	2.7
137.05968	9.7
145.06485	1.5
147.04382	2.7
147.08047	0.9
149.05951	1.3
151.03897	0.7
151.07536	5.7
153.05428	1.3
159.08044	1.1
160.23172	0.6
161.05966	5.2
161.09563	0.9
163.07539	6.1
165.05469	1.1
165.06981	0.7
167.07016	15.6
168.76288	0.7
174.06761	0.7
175.07552	4.3
177.05521	1.4
177.09090	31.6
179.07051	2.7
181.04939	3.1
181.08575	3.1
187.07578	1.3
189.09097	2.6
191.07077	2.4
193.08577	19.8
194.07220	1.3
195.08115	1.4
195.10139	2.4
201.09172	1.1
203.06987	1.0
203.10638	0.9
205.06566	0.8
207.08211	1.3
207.10124	1.7
209.06116	1.0
219.08096	1.1
219.10130	2.7
221.06059	1.5
221.09671	1.4
221.11647	9.7
222.06639	1.0
223.07475	2.0
224.08308	1.6
225.09106	1.4
231.07924	1.0
232.08792	1.0
233.09674	1.3
234.06746	1.5
234.10445	1.1
235.07524	2.5
236.08286	1.7
237.09113	2.4
238.09772	0.8
239.10794	0.7
240.07813	1.0
241.08557	1.0
248.08455	0.7
249.09032	5.2
250.06232	1.0
250.09883	2.2
251.07034	2.0
251.10713	0.8
252.07864	3.9
253.08565	2.3
261.09229	1.4
263.07007	2.1
264.07819	2.3
265.08572	7.0
265.12225	1.5
266.09286	4.1
267.06439	0.9
267.10101	2.8
277.08646	2.0
278.09299	1.8
279.10205	1.7
280.07336	3.9
280.10382	0.8
281.08057	2.7
281.11566	1.0
283.09634	2.4
285.11389	1.5
292.07712	1.1
292.10889	3.5
293.08008	2.2
293.11703	5.9
294.08887	0.8
295.09549	3.6
296.10471	4.0
297.07483	1.0
297.11078	1.2
298.08182	1.1
298.11539	0.8
299.12643	0.8
300.09927	2.8
307.09555	1.3
309.11215	2.8
310.11975	2.3
311.09311	1.5
311.12750	4.9
312.09790	1.7
313.10638	7.6
313.14343	4.9
321.11087	4.3
323.12668	1.4
324.09744	1.0
325.10663	4.2
325.14191	1.3
326.11560	1.7
327.12234	5.5
327.15839	1.3
328.12997	0.7
331.15457	2.0
337.10681	1.0
338.11407	3.0
339.12228	35.2
340.12875	4.1
341.13849	6.8
343.15335	3.0
345.16724	0.9
352.12711	1.0
353.13773	6.4
355.15326	3.5
356.12601	1.3
357.12988	0.9
359.14853	17.8
361.16492	5.3
367.15533	1.7
371.14856	100.0
372.15244	3.4
373.16443	12.0
375.17996	2.1
383.14850	1.6
385.16412	2.2
397.16229	1.4
401.15927	0.9
413.16400	1.1
479.16730	0.8
497.17834	1.3
505.22195	0.9
509.21930	4.3
521.21246	3.1
533.20099	2.9
682.75934	0.8
700.53949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.3
66.11370	1.2
67.05498	22.4
69.03408	4.2
69.05541	1.0
69.07059	8.4
69.30067	3.0
69.30477	3.7
71.01363	1.1
71.04977	4.2
79.05488	22.7
80.79832	1.0
81.03410	54.4
81.07047	26.1
83.04971	11.0
83.08612	20.2
85.02892	18.6
85.06525	1.7
91.05473	27.6
93.07034	15.0
95.04957	23.9
95.08585	12.9
97.02859	3.5
97.06516	3.2
97.10165	5.4
99.08079	1.1
103.81712	1.3
105.04534	1.4
105.07020	18.9
107.04958	5.3
107.08553	7.2
109.06502	4.7
109.10162	2.8
111.04469	2.0
111.08083	6.5
113.05986	1.9
115.05470	2.5
117.07038	1.4
119.08578	14.6
121.06493	1.9
121.10126	6.8
123.04440	2.0
123.08020	1.8
125.09615	4.1
128.43602	1.1
129.06973	10.5
131.04918	2.3
131.08548	11.8
133.06464	2.8
133.10110	9.4
137.05959	3.8
137.09570	1.4
141.06929	2.2
142.07755	1.5
144.33221	1.2
145.06487	3.3
145.10077	2.3
147.04335	2.1
147.08034	3.3
147.11667	15.1
149.05969	1.6
149.09601	5.8
151.03854	1.1
151.07475	1.5
153.06958	3.7
155.08507	1.6
157.06499	3.3
157.10094	12.6
159.08089	1.7
161.06003	5.7
163.03931	1.8
163.11153	1.3
165.07028	3.4
165.12769	2.5
167.08563	2.8
169.06461	4.5
169.10143	1.5
171.08066	3.1
173.05951	14.4
175.03865	1.7
175.07468	3.0
175.11157	15.4
177.05457	2.6
179.08571	3.1
181.06465	4.9
181.10132	1.4
183.07988	5.4
185.05997	6.0
187.07533	14.9
189.05414	2.9
189.07013	1.2
189.09100	2.0
191.06955	1.3
191.08553	2.8
193.04964	5.9
193.06462	2.1
193.12219	41.0
195.08092	6.4
197.05928	8.6
197.09616	2.8
199.07523	10.9
201.05403	4.0
201.09091	18.3
203.03374	1.3
203.06966	2.0
205.04910	1.2
205.06645	1.3
207.08017	6.5
209.05928	10.4
209.09592	4.0
210.06735	3.8
211.07539	23.4
211.13264	62.8
212.13620	1.6
213.05455	20.1
213.08963	7.8
214.06105	1.9
215.06990	4.1
217.04915	1.7
219.08076	2.9
221.04271	2.1
221.06137	1.7
221.09570	2.1
223.07530	15.9
223.11115	2.0
224.08180	1.4
225.05496	6.4
225.09027	8.3
226.06194	1.8
227.07002	12.7
227.10657	2.2
229.05057	6.1
229.08559	3.5
233.09689	1.5
233.13168	1.9
234.06801	1.5
235.07510	3.9
237.05511	5.8
237.09085	5.7
237.12798	1.7
238.06313	1.3
239.07007	21.9
241.04910	3.2
241.08530	2.3
242.05702	1.7
243.06549	3.4
247.07582	2.6
247.11345	1.6
249.09061	1.7
250.06252	2.3
250.09943	1.9
251.07074	8.1
251.10641	2.7
251.14305	9.4
253.08566	2.9
255.06514	22.2
261.09210	1.8
261.12805	3.2
263.07233	2.3
263.10547	1.2
265.04916	3.2
265.08539	5.8
265.12170	3.0
267.06387	2.8
267.15921	46.9
269.08081	2.2
275.06940	1.6
275.14392	1.3
277.16006	1.7
279.06512	2.6
279.10458	2.0
279.13812	4.8
281.15384	1.6
283.06116	7.9
285.16946	100.0
286.17392	2.4
293.15259	10.8
295.13245	2.0
297.14697	4.0
301.14435	1.8
303.13751	6.4
305.15240	2.1
307.13254	3.8
315.15915	2.6
321.14795	16.6
323.12698	1.9
323.16391	4.5
325.14279	5.9
331.13266	5.1
333.14874	1.4
339.12000	2.2
339.15878	26.2
341.17340	2.1
343.15329	2.4
349.14310	17.8
349.20990	1.3
351.15845	3.1
357.16699	2.7
359.12677	1.6
367.15393	58.3
368.15689	1.7
377.13617	6.6
380.15668	1.3
385.16443	20.0
395.14783	15.2
403.17380	2.8
405.16492	1.7
413.15646	10.3
415.20996	3.7
423.17972	2.7
433.16434	1.3
433.21890	1.4
441.19144	12.3
451.17484	6.2
459.19919	10.1
459.26563	2.5
469.18512	9.3
477.21194	2.5
487.19763	12.5
505.20642	27.2
523.21606	17.2
559.26642	1.6
607.32532	1.5
615.29236	2.0
625.33313	2.7
633.30060	5.2
645.15601	1.3
651.31665	9.2
661.30078	1.6
669.32959	6.1
679.30963	5.7
687.32825	2.3
697.32281	15.7
715.33185	22.4
733.34241	21.1
734.34174	1.8
869.90863	1.1
880.69226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85312	0.4
69.97364	1.5
81.66820	0.5
100.34301	0.5
100.92525	0.7
101.56663	0.5
103.05441	0.7
113.92624	0.5
137.06003	1.2
145.02773	0.6
157.49573	0.6
159.04237	0.6
175.03752	1.3
177.05504	0.8
249.97620	0.5
349.10483	1.2
350.11328	1.1
351.25705	0.6
382.53397	0.6
529.18646	1.1
543.16174	2.0
559.19598	0.6
566.95117	0.5
733.44928	0.6
879.22253	0.7
900.91327	0.6
916.33557	0.6
931.31305	100.0
932.31281	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	931.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68003	0.9
69.68329	0.3
79.65565	0.3
98.22961	0.9
103.05501	0.8
107.04986	0.4
119.04993	0.4
131.04944	0.7
137.06018	0.4
145.02870	0.7
151.27229	0.4
159.04214	1.0
171.04199	0.6
172.04988	0.6
175.03711	0.9
177.05475	0.7
185.05748	0.5
210.52457	0.3
216.03871	0.4
276.98523	0.3
363.12073	0.9
380.12585	0.4
387.98965	0.3
422.13583	0.3
541.17432	0.3
543.16577	0.9
557.18024	0.4
558.18658	0.6
931.31317	100.0
932.31543	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	932.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	4.8
67.05497	75.4
69.03410	5.9
69.07057	26.0
71.01342	1.3
71.04993	5.4
71.41701	0.9
73.02906	3.8
73.06552	1.7
77.03912	2.6
79.05482	98.6
81.03407	15.6
81.07048	82.2
81.07426	1.3
81.07547	1.5
82.07403	1.2
83.04975	16.0
83.08610	13.7
85.02889	12.5
85.06525	4.3
91.03976	4.6
91.05470	95.6
92.05779	1.1
93.07032	100.0
95.04955	34.3
95.08595	45.0
95.09215	1.5
97.02878	8.1
97.06519	14.2
97.10162	5.9
99.04441	3.0
99.08067	4.1
103.05450	2.7
105.04525	7.3
105.07015	82.6
106.07336	1.1
107.04945	11.9
107.08581	37.9
108.39822	0.9
109.02845	2.2
109.06510	12.1
109.10139	10.1
111.08104	5.1
113.06034	1.0
115.05424	3.5
116.06252	0.9
117.07007	26.3
117.39133	0.9
119.08563	53.5
121.06490	5.6
121.10135	19.4
123.08048	8.8
123.11692	3.0
125.09574	2.6
127.03905	4.2
127.07579	1.8
128.06207	4.7
129.05534	1.2
129.06989	25.0
130.07774	1.7
131.08545	20.3
132.92101	1.0
133.06496	2.6
133.10117	36.5
134.10451	1.1
135.08031	3.4
135.11664	11.3
137.09587	3.4
137.13220	1.3
139.11171	1.1
141.06966	2.7
141.09145	1.7
142.07767	2.0
143.08537	16.1
144.09317	1.2
145.04941	3.3
145.06451	1.8
145.10098	25.0
147.07991	3.0
147.11664	54.0
149.09587	8.3
149.13242	12.9
151.11159	2.0
153.09013	1.0
155.08510	2.8
157.10097	7.1
159.11667	17.4
161.09621	6.5
161.13248	29.7
163.11157	5.1
163.14764	2.7
167.25523	0.9
169.10110	4.3
171.11673	34.7
173.04437	2.3
173.11914	1.4
173.13226	7.2
173.14519	1.1
175.14761	5.9
177.12715	4.2
179.14310	2.3
181.10217	1.2
183.11661	3.3
185.13194	5.5
187.11185	2.8
187.14677	2.4
189.12694	12.1
195.11765	1.1
195.13817	4.0
195.64067	1.1
197.13248	2.4
199.14828	4.7
207.13762	30.5
213.16382	1.5
215.17937	1.1
225.14792	2.4
227.12752	2.9
229.19463	2.1
231.21014	1.8
233.15260	1.1
239.17870	2.1
241.19489	14.5
251.16400	1.8
257.19012	7.1
259.17752	1.9
259.20544	31.5
259.23181	2.1
261.22089	2.2
269.17429	17.1
275.20007	14.8
279.15848	12.1
281.17435	74.3
282.17715	2.8
291.19516	1.3
293.21075	1.5
297.17130	1.7
313.27307	2.2
315.23163	1.5
331.22537	2.1
333.24207	19.8
349.23737	11.0
388.06558	1.1
435.27637	2.5
447.32462	4.3
457.28897	1.6
459.30695	1.5
461.28729	1.3
465.33542	3.0
475.30481	67.8
476.30667	2.7
483.34613	2.8
487.30524	2.0
521.36499	2.1
527.37238	1.2
529.38702	1.5
537.35571	1.4
539.37231	41.2
540.37341	1.3
555.36676	13.6
557.38245	16.3
573.37213	1.3
619.34686	1.8
717.42145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.1
67.05503	54.3
69.03416	5.1
69.07066	20.5
70.88809	1.3
71.04990	4.8
71.41656	1.5
73.02908	2.7
73.06551	1.3
77.03927	2.3
79.05487	71.5
81.03416	14.5
81.07052	60.4
81.30423	1.2
83.04977	15.6
83.08621	10.5
85.02905	7.8
85.06548	3.5
91.03928	2.3
91.05478	55.3
93.07040	63.0
95.04965	21.7
95.08598	29.6
97.02888	4.1
97.06522	14.0
97.10191	5.6
99.08076	2.5
102.88386	1.0
105.04502	4.6
105.07026	41.3
106.51200	1.1
107.04935	11.4
107.07924	2.1
107.08594	26.3
109.02896	2.4
109.06510	7.8
109.10156	9.1
111.08092	2.9
113.09598	1.1
115.05461	2.3
117.07019	14.2
119.08573	27.5
121.06505	4.6
121.10149	11.2
123.08053	4.2
123.11679	2.4
125.09618	3.1
127.03927	2.3
127.07565	1.3
127.57310	1.1
128.06239	2.4
129.06985	14.5
131.08560	13.1
133.06451	1.5
133.10129	17.6
135.08037	3.6
135.11682	10.5
137.09610	1.3
141.06972	2.2
143.08534	7.4
145.10132	15.7
147.08031	2.7
147.11690	29.8
149.09598	11.0
149.13300	6.3
151.11168	2.3
157.10153	2.5
159.11673	7.1
161.09628	4.5
161.13237	9.2
163.11189	8.6
169.10103	3.6
171.11665	15.4
173.04439	2.0
173.13326	3.2
175.11224	1.6
177.12706	3.0
179.10680	1.1
179.14169	2.0
183.11673	1.4
187.11122	1.7
189.12714	7.3
195.13760	2.3
207.13763	18.4
225.14969	1.2
227.12787	5.0
229.19499	1.6
239.18039	3.4
247.20496	1.1
253.14334	4.4
255.15927	4.6
257.18970	7.0
269.17395	11.5
275.20032	23.0
281.17462	56.0
283.15286	2.7
291.19397	1.5
331.22818	2.4
349.23730	19.1
367.24377	1.3
377.23276	1.8
413.21625	1.8
435.27292	3.1
451.26855	4.3
457.29480	1.3
461.28925	23.0
475.30560	100.0
476.30984	3.3
515.33398	1.9
537.35516	2.6
555.36804	51.5
556.36865	1.8
573.36835	8.2
619.34583	3.7
699.41522	1.5
770.13684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	16.7
69.03424	9.3
69.07069	6.9
71.01328	1.3
71.04985	1.3
71.41418	1.4
73.02905	7.4
79.05483	8.2
81.03418	4.5
81.07052	10.0
83.08595	3.0
85.02895	19.5
91.03951	12.1
91.05481	8.9
93.07035	10.9
95.04961	2.2
95.08598	11.2
97.02891	17.5
97.06586	1.5
97.10160	1.4
99.04446	1.0
101.02370	1.8
105.06997	7.0
107.08578	5.7
109.02914	1.5
109.10118	5.0
111.08082	1.0
117.07005	5.2
119.08572	8.9
121.10139	4.2
123.11739	1.7
127.03878	5.2
128.06200	1.4
129.07024	6.3
131.08546	6.2
133.10106	5.8
135.11705	3.1
141.06982	2.6
143.08534	7.2
145.04955	2.2
145.10127	7.6
147.11678	2.8
149.13255	1.5
153.06976	1.2
155.08553	5.1
157.10075	7.1
159.11685	4.2
161.13239	2.3
164.17400	1.1
165.07065	1.1
167.08607	2.2
169.10103	7.3
171.11664	7.5
173.13280	3.5
175.14894	1.7
178.07758	1.2
180.09311	1.1
181.10103	5.6
183.11710	7.8
185.11626	1.2
185.13199	5.6
187.14793	2.1
193.10115	1.7
194.10838	1.0
195.11769	5.0
195.13286	1.0
197.13156	6.5
199.14828	2.8
207.11693	2.3
209.13231	4.4
211.14821	4.8
213.16374	2.6
215.17859	1.2
221.13252	2.0
223.14809	2.3
225.16373	2.7
233.13235	1.1
237.16342	1.7
245.13315	1.2
251.18013	2.0
265.19397	1.6
267.68484	1.0
338.11435	1.1
351.26715	1.8
356.09268	1.0
365.28589	1.4
501.35495	1.3
517.40356	3.3
525.35352	1.7
527.38281	1.3
535.41205	2.3
539.37170	1.9
541.39056	1.1
591.43939	3.4
607.43311	3.0
609.45087	100.0
610.45105	4.8
619.43085	1.1
621.44745	2.4
651.46039	1.5
699.45642	1.7
717.46710	2.0
735.47949	3.2
753.48407	3.8
756.87952	1.4
771.50421	26.8
772.50171	1.8
912.57440	1.4
933.54761	7.8
944.86627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	7.3
70.06574	1.4
71.01364	1.9
81.03401	7.6
81.68000	1.4
83.01360	1.2
83.04988	2.0
85.02885	3.4
95.01319	7.1
95.04937	1.7
97.02876	9.3
101.02348	1.9
115.03814	1.4
131.04918	1.4
147.04401	4.0
153.06952	1.8
159.04404	2.6
163.03897	1.7
165.06984	1.7
171.04369	3.1
175.03851	3.7
175.11938	1.5
175.19984	1.4
181.06424	3.0
185.02364	2.4
185.06024	1.6
187.03864	7.6
191.03360	2.3
197.05978	2.3
199.03908	5.0
201.01845	3.1
201.05412	1.6
203.01761	1.4
203.03267	7.1
205.01251	1.5
205.04819	2.0
205.06519	2.4
209.05975	4.5
211.03897	2.5
211.07649	1.6
213.01781	5.9
213.05437	2.4
215.03380	10.7
217.01358	2.5
219.02847	2.3
221.05940	4.2
223.03967	2.2
225.05443	2.8
227.03395	5.4
229.01346	3.8
231.02852	29.5
233.06087	2.3
237.05449	7.5
239.03343	3.1
241.01332	5.5
241.04930	5.2
243.02785	7.0
245.04379	1.9
247.02406	6.0
249.05457	5.8
251.03340	3.3
253.04941	5.6
255.02885	6.0
255.06456	2.2
257.00793	5.4
257.04422	3.1
258.99588	2.9
259.02347	53.6
261.04025	5.5
263.06845	1.7
265.04895	10.4
266.75760	1.5
267.02939	3.4
267.06516	4.1
269.01608	1.6
269.04309	10.1
271.02386	5.7
273.00317	5.8
273.03989	7.5
275.01736	8.3
276.02554	5.3
277.03345	100.0
278.03653	1.9
279.02969	2.4
279.06436	2.8
281.04315	8.4
283.02353	5.4
283.05936	3.8
285.00259	4.7
285.03955	5.0
287.01828	4.9
289.03253	34.3
291.06387	1.7
293.04358	6.6
295.02332	5.5
295.06046	6.3
297.03867	12.1
299.01846	17.9
300.99765	5.7
301.03421	19.3
303.01328	60.3
303.04803	3.0
305.04535	7.7
307.05948	2.8
309.03860	4.7
310.04437	1.5
311.01923	3.2
311.05402	7.4
312.99847	1.2
313.03345	22.9
315.01328	53.9
315.04932	8.1
317.03241	4.3
319.05850	2.0
321.04074	10.6
323.01755	7.2
323.05481	3.9
324.02612	2.2
325.03433	6.3
326.03970	2.2
327.01300	10.9
327.04956	14.8
328.99289	39.7
329.02997	7.1
331.04529	2.4
333.03668	6.2
334.04462	1.7
335.05441	4.4
337.03464	10.8
338.04050	2.3
339.01245	11.5
339.05002	19.6
340.01767	2.8
340.98996	1.5
341.02866	24.0
341.06573	4.2
343.00708	2.9
343.04517	7.4
345.02341	31.1
347.05365	2.1
349.03296	7.6
351.01144	2.0
351.04913	9.3
353.02853	18.3
353.06628	3.7
355.00790	2.4
355.04514	23.0
359.04852	1.9
361.03253	4.9
363.03680	8.7
365.02856	16.0
366.03677	2.3
367.00119	1.4
367.04465	30.4
369.02075	6.5
369.06253	12.0
371.04056	3.2
373.05942	1.8
375.04523	2.0
377.02826	7.5
379.04581	12.8
380.01245	2.2
381.02084	8.6
381.06168	3.7
383.03943	12.5
385.05573	13.2
387.03317	24.4
389.02591	3.6
391.04456	4.0
393.02478	5.7
393.06046	2.6
395.03894	39.9
397.01309	23.2
397.05667	6.6
399.03323	4.7
403.05740	4.2
405.02286	1.9
407.03726	6.6
409.05450	5.7
411.03354	55.1
413.05136	8.9
415.02621	2.6
419.03949	4.5
421.05823	2.5
423.03125	19.4
425.05066	2.6
429.04471	8.2
431.03229	3.3
435.03238	10.7
437.04825	1.7
439.06586	4.4
441.04443	5.2
447.05618	12.4
449.04813	3.2
451.06570	6.6
453.04382	9.1
459.05176	5.7
463.06525	7.7
465.04355	6.6
471.05188	2.4
477.04556	8.0
481.07492	5.9
483.05481	2.5
489.04529	5.1
495.05563	14.6
499.08551	4.8
501.06110	2.9
507.05640	7.6
512.99615	2.4
513.06610	32.9
519.07605	3.7
525.06689	8.7
531.07458	6.8
543.07697	8.7
561.09045	8.0
579.09412	10.8
597.10571	2.3
833.06622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.3
65.62018	1.1
67.05495	65.4
69.03426	12.3
69.07063	31.5
71.01337	1.7
71.04996	9.2
73.02906	5.0
77.03941	1.7
79.05486	68.1
81.03410	59.6
81.07049	69.3
83.01346	3.7
83.04974	21.3
83.08610	30.6
85.02894	28.1
85.06522	4.1
91.03953	6.3
91.05470	58.6
93.07034	65.3
95.01320	1.2
95.04958	33.1
95.05531	2.4
95.08598	31.5
97.02886	18.9
97.06528	15.6
97.10152	16.9
99.04443	4.1
99.08093	3.0
103.05475	2.7
105.04572	2.7
105.07017	39.1
107.04941	17.9
107.08581	33.5
109.02864	2.6
109.06504	12.9
109.10145	16.5
111.04450	5.2
111.08065	12.0
113.05999	1.5
115.05412	3.3
116.06300	1.1
117.06995	19.6
119.04945	3.4
119.08566	40.0
119.09420	2.2
121.06502	9.7
121.10129	21.6
123.04425	1.4
123.08037	10.2
123.11661	3.4
125.05939	1.7
125.09615	10.8
127.03894	4.9
128.06212	2.5
129.05505	1.3
129.06992	12.4
130.07759	2.2
131.04883	1.6
131.08543	25.3
133.06488	7.6
133.10112	22.9
135.08066	7.1
135.10722	2.4
135.11658	16.4
137.05992	1.2
137.09592	6.4
141.06966	1.3
142.07785	2.5
143.08568	5.8
143.10625	1.3
145.04967	1.8
145.06412	1.7
145.10117	21.8
147.08041	12.0
147.11676	17.5
149.09621	12.1
149.13271	6.7
153.09041	1.5
153.12703	3.5
155.08563	3.1
157.06647	1.4
157.10091	13.0
159.07956	1.3
159.11674	9.3
161.09615	3.6
161.13243	2.6
163.06026	2.0
163.11171	20.2
165.12738	3.7
167.14153	1.4
169.10036	1.9
171.11742	2.8
173.04390	1.7
173.09633	4.0
173.13203	2.9
175.11208	13.3
177.12718	3.3
179.14317	1.5
181.12297	2.8
183.11639	2.4
189.11209	5.4
191.10698	2.1
193.12219	23.6
195.13847	3.0
197.13373	1.8
209.11758	4.9
211.13254	31.0
212.13728	1.6
219.13821	2.0
223.11232	2.1
223.13266	17.3
227.12726	15.6
227.17729	1.4
245.19048	1.6
249.14899	5.8
255.15752	6.5
257.19000	4.1
261.15097	1.3
265.14481	1.6
267.15881	26.8
269.17392	14.1
273.18423	15.9
275.20038	19.3
283.02652	1.3
283.15350	51.9
284.15729	2.0
285.13803	1.5
285.16940	34.7
291.19513	100.0
292.19937	3.3
313.21588	1.7
331.22696	1.7
347.21997	4.2
349.23721	15.1
365.23190	51.6
367.24789	2.6
413.21979	1.8
437.25165	3.7
445.25632	1.6
453.24899	2.4
459.27225	6.9
463.26773	18.8
477.28442	74.8
478.28799	1.8
493.27411	1.4
495.29544	1.6
517.31299	2.0
539.33356	5.4
557.34674	72.2
558.34973	2.6
575.35736	94.5
576.35754	3.5
621.32263	2.9
719.39807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.4
67.05499	51.9
69.03432	10.4
69.07064	20.5
71.01343	2.5
71.04986	6.1
71.08589	1.3
73.02905	5.2
77.03932	2.4
79.05487	65.7
81.03414	22.0
81.07050	63.8
82.04601	1.2
83.01325	10.3
83.04978	22.0
83.08607	20.1
84.08912	1.3
85.02898	25.4
85.06517	2.2
91.03950	11.5
91.05473	56.7
93.07039	66.7
95.04956	21.5
95.08600	31.3
97.02893	17.2
97.06524	11.1
97.10174	7.0
98.41444	1.3
99.04451	3.4
99.08076	4.6
103.05468	2.5
105.04483	3.1
105.07017	47.6
107.04971	12.0
107.08582	39.5
109.02875	2.8
109.06512	11.9
109.10145	11.9
111.04419	4.9
111.08076	5.9
113.09610	1.7
115.05457	3.7
117.07010	23.3
119.08571	44.7
121.06495	5.3
121.10112	21.8
123.08054	11.7
123.11701	3.5
125.05894	1.4
125.09640	7.8
127.03886	6.5
128.06212	3.4
129.05516	4.7
129.06987	9.4
130.07803	2.4
131.04996	1.5
131.08560	26.7
133.06451	2.3
133.10123	30.7
134.10518	1.3
135.08083	6.7
135.11678	25.7
137.09604	3.2
139.07591	1.5
141.07007	2.4
142.07808	1.6
143.08540	8.3
145.04961	4.1
145.06422	1.5
145.10110	29.4
147.08041	4.1
147.11671	20.9
149.09572	6.9
149.13231	10.5
151.11169	3.4
153.09027	1.6
153.12790	2.4
155.08536	6.1
157.08748	1.4
157.10138	6.6
159.08067	2.4
159.11690	15.2
161.09612	3.3
161.13234	11.1
161.15518	1.5
163.06006	3.1
163.11163	30.2
169.10182	2.2
171.11665	9.7
172.26566	1.4
173.09622	4.5
173.13274	5.1
175.11205	3.3
175.14819	4.0
177.12808	3.3
179.14227	2.4
181.10158	1.7
181.12259	4.0
183.11656	3.3
185.13257	5.8
187.11206	1.7
187.14879	3.7
189.11183	2.9
189.12712	2.2
191.10646	3.0
193.12242	2.1
195.13756	4.6
197.13155	2.3
199.14830	3.8
207.13739	2.6
209.11696	11.8
213.16481	1.4
227.12718	14.8
231.20990	2.0
233.15482	1.9
239.17894	2.1
241.19487	8.1
257.19012	8.4
259.20526	32.5
265.14435	2.0
269.17441	13.9
275.20090	19.0
281.17404	2.6
283.15366	100.0
284.15704	2.6
293.21115	3.9
297.22043	3.3
299.81644	1.4
315.23038	4.5
331.22580	2.2
333.24240	24.2
349.23682	12.3
431.29691	1.5
437.25116	1.8
449.30444	4.3
459.27203	1.8
467.31186	3.1
477.28421	51.4
478.28342	1.9
480.82806	1.5
485.32462	2.8
489.28125	5.5
513.35657	1.5
523.33691	5.0
541.27313	2.6
541.35223	47.4
542.35553	2.1
557.34589	12.2
559.36475	12.1
575.35736	8.7
675.75562	1.7
703.40222	1.6
886.44250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	5.7
67.05496	79.0
69.03414	13.7
69.06707	3.2
69.07062	33.6
70.69767	3.2
71.04994	9.4
73.02930	4.5
77.03911	3.6
79.05481	77.3
81.03408	95.5
81.07047	93.9
83.04962	28.8
83.08614	30.6
85.02890	41.1
85.06524	6.3
91.03946	5.6
91.05470	79.1
92.05766	1.8
93.07034	66.3
94.21848	2.0
95.04407	3.8
95.04960	41.9
95.08597	32.1
97.02885	13.0
97.06508	22.1
97.10145	16.9
99.04457	2.6
99.08085	5.6
105.04488	5.3
105.06340	4.1
105.07015	58.3
107.04933	18.6
107.08578	42.3
107.09256	3.8
109.02879	5.0
109.06502	9.2
109.10138	15.7
111.04444	4.4
111.08072	18.0
113.05970	3.9
115.05398	3.7
117.07015	17.8
119.08565	45.4
121.06498	5.9
121.10135	28.2
123.04492	2.2
123.08038	7.7
123.11743	4.3
125.09591	11.1
126.97739	2.0
127.03881	7.7
128.06236	3.1
129.06984	25.6
131.08546	36.5
133.06473	6.6
133.10114	40.2
135.08023	7.3
135.11658	15.3
137.09608	7.5
141.06932	2.7
142.07748	7.1
143.08478	4.1
145.04945	2.5
145.10063	19.4
147.08052	8.1
147.11673	27.9
149.09572	21.6
149.13225	10.7
151.11148	2.9
157.10104	20.1
159.11667	14.1
160.75227	1.9
161.13242	5.4
163.06001	2.8
163.11206	9.5
165.12729	6.2
169.10136	4.8
171.11627	3.6
173.04472	4.2
173.09604	2.2
173.11876	4.5
173.13261	8.4
175.11145	22.1
177.12700	5.6
183.11713	4.1
185.13202	3.6
187.11125	2.7
189.11174	4.9
193.12216	61.3
195.13710	4.0
197.13266	3.3
211.13254	89.3
227.12782	15.2
229.14238	2.9
239.17937	3.6
241.19374	2.1
255.15962	10.6
257.18976	7.8
261.14713	2.3
267.15866	46.0
269.17459	26.0
275.20044	45.4
285.13763	4.4
285.16928	85.1
286.17163	2.3
293.21072	2.5
331.22739	3.7
349.23669	43.8
367.24582	2.9
406.01102	2.5
413.21622	4.7
421.25821	2.7
437.25555	3.0
439.26715	5.9
443.27917	3.5
447.27335	13.2
449.30521	2.2
451.23541	2.0
455.26166	3.6
461.28900	36.5
463.30420	2.7
465.22726	2.1
465.28494	20.9
479.29974	100.0
480.29849	4.3
503.35934	2.1
536.18530	2.3
541.35248	29.4
559.36273	69.1
560.35468	2.9
577.37354	9.4
599.30127	3.1
608.80273	2.4
623.33612	7.5
703.40509	3.0
721.41425	3.2
738.08051	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	936.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	5.9
67.05498	79.4
68.73106	2.0
69.03416	10.7
69.07060	28.1
71.04973	9.2
71.08595	2.1
73.02906	6.5
79.05485	75.7
80.05816	2.9
81.03408	68.1
81.07047	89.2
82.03722	3.3
83.04968	22.1
83.08610	32.6
85.02898	38.1
85.06509	3.8
91.03943	8.9
91.05473	100.0
92.05798	3.1
93.07036	77.8
94.07332	2.5
95.01295	2.3
95.04958	41.7
95.08015	3.2
95.08594	38.7
96.38118	1.8
97.02872	15.5
97.06509	15.3
97.10171	11.0
99.04423	3.7
99.08092	3.3
105.04520	5.0
105.07019	90.4
106.07361	3.2
107.04951	14.8
107.07849	2.1
107.08575	42.8
108.08921	2.6
109.06498	10.0
109.10130	24.5
111.04440	5.8
111.08076	12.6
113.06001	3.7
115.03899	2.8
115.05441	2.2
116.04710	4.3
117.07005	22.0
119.07743	4.3
119.08566	61.7
121.06509	7.1
121.10132	30.1
123.08052	8.5
123.11669	5.4
125.09631	7.2
127.03909	6.7
128.06169	3.4
129.05502	13.2
129.06979	26.2
131.07684	1.5
131.08551	41.6
133.06508	6.3
133.10110	60.2
134.10432	5.5
135.08092	5.8
135.11670	18.3
137.09592	5.6
142.07767	4.0
143.08609	12.3
145.04956	3.8
145.06517	3.1
145.10104	28.8
147.07954	2.3
147.11670	43.3
149.09633	13.1
149.13264	12.1
151.11176	8.2
155.08562	4.4
157.08731	3.9
157.10110	23.5
159.08043	2.1
159.11670	21.3
161.09590	2.7
161.13239	23.9
163.05904	2.8
163.11179	11.7
163.14838	3.5
165.12706	6.1
167.08426	3.2
169.10060	6.0
171.10284	3.0
171.11578	10.2
173.09550	4.2
173.11916	3.3
173.13190	14.1
175.11171	16.9
175.14844	6.1
177.12708	4.7
183.11681	6.0
185.13269	10.1
187.14783	3.1
189.11183	3.3
193.12212	45.3
194.12563	4.7
195.13715	3.1
197.13257	4.7
199.11218	3.1
199.14766	7.9
211.13255	59.9
211.15100	3.9
212.13622	5.9
213.16393	2.4
215.17902	2.5
227.12758	9.0
228.79945	2.3
229.14349	4.2
231.21051	5.3
241.19501	14.2
253.14314	9.9
254.14594	8.2
257.18976	7.3
259.20541	62.0
259.23193	4.6
267.15860	31.1
269.17392	12.6
273.18469	4.6
275.20035	19.1
278.61691	2.3
283.15347	5.7
285.16959	57.0
286.17224	4.6
291.19452	3.5
292.19852	3.0
293.20972	7.7
297.21997	2.8
301.16446	13.1
315.23166	7.4
331.22458	3.1
333.24261	34.3
349.23688	9.8
365.23187	2.5
366.23343	3.6
367.23990	2.6
421.25873	3.8
433.30954	4.9
439.26657	4.6
451.32114	3.1
461.28970	11.5
469.33426	2.3
479.30026	24.8
482.28656	2.5
525.35754	23.4
541.34760	6.2
543.36768	46.3
545.04169	2.7
558.34857	4.6
559.36078	24.8
576.35968	6.1
577.36707	16.0
936.45129	3.6
937.44348	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	936.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	6.3
67.05497	78.7
69.03411	10.3
69.07060	21.9
71.01302	2.3
71.04978	9.3
71.80121	1.8
73.02898	4.3
77.03917	2.8
79.05483	81.0
81.02958	3.8
81.03412	62.4
81.07049	73.9
81.60806	2.1
83.04967	24.5
83.08607	26.2
85.02897	32.5
85.06528	5.5
91.03954	11.4
91.05468	100.0
93.06445	3.7
93.07036	64.9
95.04964	40.4
95.08017	3.2
95.08595	41.8
97.02871	16.7
97.06524	13.1
97.10155	14.6
99.04465	4.2
99.08069	4.7
103.05490	3.4
105.04492	5.1
105.07019	75.5
107.04955	13.0
107.08589	34.8
109.06486	11.7
109.10146	22.6
111.04403	4.5
111.08022	10.0
113.05953	4.5
115.05428	5.3
116.04705	2.9
117.07004	18.9
117.56614	2.3
119.07740	3.8
119.08569	59.4
121.06499	5.6
121.10125	23.1
123.08054	8.8
123.11665	6.5
125.09612	9.2
127.03893	5.4
128.06166	2.5
129.05472	13.0
129.06982	23.5
130.07863	2.7
131.08548	38.0
133.06474	4.9
133.10117	46.7
135.08029	5.1
135.11690	14.5
136.48360	2.1
137.09567	4.8
142.07780	3.4
143.07045	2.0
143.08537	11.0
145.04932	5.3
145.10101	26.6
147.08052	4.8
147.11671	35.8
149.09624	15.1
149.13222	10.4
151.11172	4.1
153.09123	3.8
155.08543	5.0
157.08644	5.1
157.10101	25.0
159.11691	19.7
161.09662	3.1
161.13206	15.8
163.05998	2.4
163.11157	8.9
165.12769	3.4
169.10049	4.2
171.10220	3.6
171.11655	12.8
173.09604	3.7
173.11789	5.0
173.13264	9.5
175.11162	15.9
175.14792	5.8
181.12199	3.7
183.11694	3.3
185.13266	10.9
189.11104	5.8
189.12704	3.6
193.12221	44.6
195.13806	4.1
197.13095	2.8
199.14832	3.3
211.13252	55.0
211.14793	2.3
213.16431	2.8
227.12756	8.2
229.14261	4.1
231.20969	3.4
241.19476	17.8
257.18967	5.4
259.20569	40.2
267.15872	26.8
269.17426	15.2
275.20023	14.1
283.15445	6.4
285.16965	48.5
293.21069	6.1
301.16464	21.3
329.20709	2.9
333.24161	35.5
349.23767	8.7
435.68866	2.3
451.31937	3.7
461.28781	9.7
477.28168	3.2
479.30042	22.4
515.36914	3.7
525.35419	18.6
541.34760	7.0
543.36902	34.3
559.36359	16.0
577.37036	6.7
936.46472	2.3
937.46039	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	936.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.5
67.05500	67.8
69.03425	5.5
69.07067	17.6
69.24197	1.8
69.24602	4.5
71.04981	3.9
73.02921	2.6
77.03934	1.6
79.05486	51.0
79.05946	2.5
81.03412	85.0
81.07050	71.8
83.04975	6.1
83.08613	25.6
85.02888	10.7
85.06544	1.9
91.03954	5.0
91.05472	41.3
93.07040	53.8
95.04964	32.5
95.08599	51.5
97.02873	6.2
97.06535	5.7
97.10162	8.9
98.22704	2.9
99.04446	1.5
99.08076	3.1
105.04518	3.1
105.07022	29.4
107.04951	8.4
107.08578	30.4
109.02911	1.5
109.06520	5.8
109.10148	25.9
111.04453	2.6
111.08063	7.7
111.11733	1.2
115.05457	3.5
117.06991	12.5
119.08572	28.1
121.06531	4.6
121.10136	27.9
123.04410	3.4
123.08088	5.4
123.11696	8.2
125.09603	4.5
125.76954	1.4
127.03899	2.5
129.06981	13.0
131.08557	21.7
133.06505	3.3
133.10126	18.2
135.08040	2.7
135.11670	15.4
137.09607	3.0
137.13229	3.2
142.07739	2.5
143.08580	3.8
145.05002	2.6
145.10114	15.1
147.04408	1.6
147.08026	4.0
147.11702	13.1
149.09576	6.6
149.13239	9.4
153.12740	1.6
155.08502	2.6
157.10110	11.9
159.11705	9.0
161.13222	6.5
163.06015	4.4
163.11179	3.6
163.14835	4.2
165.12724	3.5
169.10095	2.0
171.11719	4.2
173.11810	2.6
173.13284	8.7
175.11201	11.0
175.14841	1.3
177.16360	1.7
183.11649	1.5
187.14824	4.7
189.11176	3.3
189.12726	2.2
191.14384	1.5
193.12207	20.6
201.16429	2.3
203.11069	1.3
205.16010	1.9
209.13277	1.2
211.13165	2.1
223.13255	1.8
227.12749	8.9
229.14207	1.5
235.13289	2.3
243.21101	8.0
249.14903	2.3
261.19067	1.7
261.22137	24.6
267.15887	91.4
269.17831	1.3
273.14941	1.8
275.20062	1.4
279.23093	1.9
299.23486	1.2
301.14206	2.2
301.25177	7.1
309.17096	3.8
317.24768	4.9
333.24072	1.7
335.25775	100.0
336.25967	2.6
359.25449	1.3
383.24298	2.7
403.24850	1.4
421.25800	2.9
435.27075	2.7
435.32510	4.3
449.28833	1.4
453.33563	8.3
461.29263	1.9
471.34689	5.4
509.35944	2.1
527.37292	78.3
528.37335	3.8
545.38336	69.2
546.38416	4.1
559.39929	2.7
569.38220	11.0
587.38983	1.8
593.37091	1.8
611.39307	1.8
623.38855	3.8
635.38904	4.6
653.40186	3.1
671.41138	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	937.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.9
71.41965	0.2
72.38229	0.2
77.95927	0.2
79.01848	8.3
81.03407	3.6
83.04919	0.2
85.02902	1.5
91.05463	0.5
97.02890	1.6
98.23129	0.2
99.04440	0.8
103.03930	0.2
103.05469	0.7
107.01307	2.0
109.02853	0.6
115.05452	0.5
119.04907	0.5
123.00798	0.5
125.02342	3.9
127.03916	0.7
129.03386	0.3
131.04919	0.7
143.03387	9.0
147.04408	0.7
153.01814	100.0
153.02888	5.9
154.02148	0.8
157.02885	0.7
159.04359	0.7
163.03963	0.4
171.02850	0.7
171.04396	1.2
173.02362	0.5
175.03882	1.5
181.06451	0.2
183.04454	0.6
185.02309	1.3
185.05966	0.3
187.03865	3.6
189.05423	0.4
191.03389	0.5
199.03870	2.2
201.01822	1.1
203.03333	2.8
205.05019	0.5
209.05907	0.4
211.03899	0.8
213.01840	2.4
213.05423	0.3
215.03381	4.2
217.01283	0.4
217.04939	1.0
219.02844	0.4
225.05571	0.2
227.03337	2.7
229.01277	1.2
229.04872	0.5
230.02151	0.3
231.02855	12.7
233.04475	0.5
237.01848	0.2
239.03392	1.0
241.01297	2.3
241.03601	0.2
241.04935	0.5
243.02879	3.2
245.04420	1.3
247.02339	1.5
253.04984	0.6
255.02786	2.2
255.05003	7.3
257.00790	1.4
257.04443	0.5
259.02362	19.7
260.02847	0.5
261.03897	1.7
265.04947	0.6
267.02878	0.4
269.04437	0.8
271.02350	3.3
273.00638	0.4
273.03894	3.4
275.01837	1.9
276.02670	0.6
277.03397	49.5
278.03711	1.1
281.04343	0.5
283.02383	2.6
285.00284	1.1
285.03937	0.6
287.01889	0.6
287.05609	0.4
289.03397	5.5
290.03986	0.2
295.02274	0.3
297.03812	1.0
299.01831	10.7
300.02313	0.3
301.00156	0.4
301.03384	7.5
301.06891	0.4
302.00580	0.3
303.01318	12.2
303.04559	0.5
305.02899	3.1
309.03995	0.3
311.01779	0.7
311.05313	0.4
312.99930	0.4
313.03296	2.0
315.01346	10.2
315.04865	1.1
316.01889	0.6
317.02881	2.1
319.04587	1.0
321.02551	0.8
323.01855	0.4
325.03378	0.4
326.97345	0.4
327.01334	7.8
327.04761	0.4
328.99228	3.4
329.02878	1.1
331.00818	5.5
331.04160	0.2
333.02350	0.4
337.03403	0.8
339.01270	1.4
339.04996	1.0
340.99280	0.4
341.02933	2.7
341.06750	0.3
343.01047	0.9
343.04507	0.8
345.02374	34.5
346.02576	0.9
351.01276	0.2
352.98962	0.3
353.02841	0.6
355.00668	0.4
355.04465	1.3
357.02319	0.3
357.06155	0.5
361.01968	1.2
365.02942	1.1
367.00668	0.8
367.04703	1.4
369.02338	3.4
370.99911	0.2
381.02451	2.5
383.04053	1.3
385.05530	2.5
387.03528	0.6
393.02347	2.0
399.03424	1.5
403.06372	0.3
411.03424	6.7
429.04346	1.3
447.05502	2.1
465.06693	3.0
479.81213	0.2
483.07794	0.5
575.06567	0.5
599.06573	1.0
617.07507	0.9
937.09863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06022	0.2
69.03430	1.1
69.58917	0.6
79.01842	8.2
81.03407	3.0
83.38863	0.2
85.02905	1.1
91.05450	0.4
97.02885	1.9
99.04427	0.5
103.03949	0.5
103.05431	0.8
105.12977	0.3
107.01307	1.8
109.02842	1.0
115.05422	0.7
119.04961	0.3
123.00809	0.2
125.02335	4.1
127.03880	0.5
129.03320	0.4
131.04919	0.7
143.02228	0.4
143.03377	8.6
145.02838	0.5
147.04373	0.7
153.01808	100.0
153.02884	5.9
154.02179	1.3
157.02859	0.7
159.04388	0.7
163.03908	0.3
171.02994	0.4
171.04385	1.9
173.02338	0.7
175.03864	1.9
177.01862	0.2
177.05447	0.4
180.83295	0.2
181.06409	0.3
183.04366	0.3
185.02266	1.3
187.03862	4.2
189.05530	0.3
191.03314	0.3
197.02269	0.3
199.03871	2.5
201.01787	1.2
203.03366	3.3
205.04997	0.6
205.90962	0.2
211.03905	0.6
213.01807	2.1
213.05467	0.5
215.03346	4.5
217.01488	0.2
217.04913	0.8
219.02766	0.4
221.05949	0.3
225.01808	0.3
227.03349	2.7
229.01355	1.3
229.04866	0.3
231.02856	12.5
233.04460	0.5
237.01744	0.4
237.05582	0.3
239.03377	0.7
241.01230	2.1
241.04901	0.4
243.02855	3.1
245.04454	1.1
247.02306	1.6
253.01265	0.3
253.04907	0.5
255.02744	2.8
255.04980	7.3
257.00763	1.7
257.04337	0.7
259.02347	19.7
260.02670	0.4
261.03854	1.3
265.04877	0.6
267.02908	0.4
269.00565	0.3
269.04492	0.7
271.02335	3.4
273.00690	0.4
273.03848	3.7
275.01831	2.3
276.02539	0.6
277.03391	50.8
278.03699	0.9
281.00916	0.5
281.04416	0.6
283.02380	2.6
285.00250	1.0
285.03934	0.6
287.01740	0.7
287.05276	0.4
289.03354	5.5
293.04208	0.5
297.03842	1.0
299.01825	10.4
299.05167	0.5
301.00146	0.3
301.03357	7.6
303.01312	13.6
303.04395	0.5
304.01740	0.5
305.02881	3.3
309.04105	0.4
311.01917	0.4
311.05420	0.5
312.99939	0.5
313.03342	2.4
315.01328	8.7
315.04907	1.1
316.01990	0.3
317.02884	1.8
319.04501	0.9
321.02164	1.0
323.01813	0.4
325.03308	0.5
327.01324	7.1
327.04739	0.5
328.99197	3.5
329.02853	1.0
331.00803	5.7
333.02271	0.4
337.03366	0.9
339.01303	1.4
339.05029	0.9
341.02820	2.7
341.06470	0.4
343.00690	0.9
343.04474	1.1
344.55972	0.2
345.02362	33.8
346.02576	0.8
347.90860	0.3
349.02277	0.4
353.02802	0.7
355.00702	0.8
355.04459	1.2
357.02133	0.3
357.05957	0.6
361.01837	0.9
365.02921	1.2
367.00650	1.0
367.04709	2.3
369.02332	3.3
371.00052	0.4
381.02383	2.3
383.03857	1.3
385.05453	2.4
387.03433	0.4
393.02277	2.5
399.03455	1.6
402.04471	0.2
411.03445	6.1
426.84943	0.3
429.04495	1.6
438.58414	0.2
447.05432	1.6
465.06610	3.4
483.07492	0.6
575.06598	0.5
599.06323	0.9
617.08099	1.1
739.87286	0.2
937.08966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.0
69.03429	3.5
69.07072	1.3
71.01339	0.5
71.41515	0.4
72.85656	0.3
72.96510	0.3
73.02916	4.3
73.29343	0.3
79.05479	2.9
81.03410	3.1
81.07047	2.4
83.04996	0.7
83.08614	1.2
85.02905	6.0
86.91698	0.4
91.03947	3.2
91.05472	2.3
93.07060	2.1
95.04987	1.1
95.08627	1.0
97.02898	5.3
97.06560	0.5
97.10183	0.7
99.04478	0.6
101.02406	1.6
103.03971	0.5
105.07006	1.8
106.81052	0.3
107.05008	0.8
107.08611	1.5
109.02915	1.0
109.10194	0.8
117.07064	1.0
119.08613	1.1
121.10152	1.0
125.09661	0.8
127.03935	1.9
131.08591	1.0
133.10162	0.8
135.11746	0.6
145.10161	0.9
147.11792	0.6
147.13034	0.4
185.04187	0.7
193.12257	0.5
201.03760	0.5
201.83434	0.4
203.05341	0.7
223.13370	0.9
243.08389	2.6
251.12660	0.4
283.15732	0.4
291.19690	0.7
305.13641	0.5
331.18640	0.6
333.20590	0.7
337.47189	0.4
347.09576	2.1
363.08917	0.6
365.10742	0.6
405.13675	5.4
439.19260	0.6
453.20914	0.6
455.06122	0.4
467.18909	3.6
469.20728	3.0
482.28186	0.4
549.26544	2.1
551.28485	1.6
629.24225	2.6
631.26099	1.8
652.21613	0.5
711.31702	1.8
713.33752	1.9
777.40356	1.4
841.38342	0.6
939.45490	100.0
940.45618	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	941.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05354	1.4
69.03247	2.7
69.03674	1.7
71.04867	0.8
73.02738	3.7
73.03179	1.6
79.05303	2.5
79.05795	1.3
81.03208	3.1
81.03720	1.3
81.06859	2.2
81.07383	1.1
83.04846	0.6
83.08447	0.8
85.02697	6.1
85.03262	2.1
87.17530	0.6
91.03742	3.6
91.04357	0.7
91.05268	3.0
91.05881	1.1
93.06831	2.4
93.07451	1.1
95.08397	1.7
97.02667	6.4
97.03371	1.8
98.22527	1.0
99.04237	0.8
101.02170	1.7
101.02856	0.8
105.06793	2.9
105.07570	0.8
105.26698	0.5
107.04745	0.7
107.08423	1.3
109.02688	1.2
109.03328	0.8
109.06330	0.8
111.07928	0.6
111.79694	0.5
115.03720	0.6
119.08320	1.6
119.09070	0.6
127.03648	2.3
129.06802	1.3
131.08356	1.2
133.09839	2.0
145.09872	0.9
147.11360	1.7
147.12428	0.5
151.12088	0.5
157.09880	1.1
161.13078	0.8
171.11435	0.7
185.03976	1.2
193.11905	2.0
201.03522	0.9
203.05064	1.2
211.13147	1.3
243.08066	2.4
247.12753	1.1
251.12086	0.6
269.86777	0.6
277.13669	0.9
285.16504	1.0
301.08841	1.0
303.96918	0.5
307.15350	0.8
347.09497	6.0
363.08682	1.8
365.10391	2.5
385.18045	0.8
389.55316	0.6
405.13736	7.4
459.29623	0.7
463.13739	2.3
463.19968	0.6
465.20966	7.0
469.20383	12.0
470.20355	0.7
477.15714	0.9
531.28864	1.0
547.23071	1.2
559.28644	0.8
587.38800	0.7
594.14124	0.7
627.26251	8.0
631.25610	17.2
657.27814	0.6
687.28516	1.4
690.26831	0.8
691.32898	0.8
693.34937	4.6
697.33868	1.9
699.28168	0.8
700.63257	0.6
703.27087	0.8
713.33667	0.7
743.35297	0.7
748.16760	0.6
764.41400	0.6
769.35547	0.7
771.37946	0.8
774.35632	0.7
797.39813	0.8
825.38696	1.8
839.43756	1.1
843.39764	3.7
854.39191	1.0
855.39709	100.0
856.40186	6.2
857.46277	0.6
895.42432	1.3
923.46069	12.5
924.46185	0.8
941.46851	56.9
942.46692	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	941.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	4.1
69.03428	4.7
69.07050	1.3
69.65535	3.5
70.06557	0.8
71.01353	1.2
73.02911	4.7
79.05480	4.5
81.03403	4.1
81.07052	4.2
83.05007	0.8
85.02898	9.8
87.04449	1.0
91.03951	3.8
91.05471	4.4
93.07040	2.7
95.08611	2.5
97.02882	6.4
99.04480	1.0
101.02396	3.5
105.07045	3.6
107.04988	1.3
107.08608	2.2
109.02870	1.4
115.03927	1.1
119.08623	2.4
121.10154	1.1
127.03941	2.8
129.07008	1.3
131.08612	1.4
145.04987	0.9
145.10097	0.9
147.11745	1.8
157.10101	1.2
171.11708	1.7
185.04222	2.0
193.12265	1.9
201.03705	1.0
203.05370	1.7
243.08517	2.9
247.13187	1.2
259.07971	1.2
285.04025	0.8
341.11856	0.9
347.09363	6.5
363.09048	3.3
365.10382	1.3
405.13690	8.2
465.21014	6.5
469.20419	11.7
535.16125	1.0
568.03320	0.9
627.26465	6.4
628.18433	0.8
631.25726	15.5
641.30450	1.0
675.32617	0.9
687.28363	2.3
693.34613	4.4
697.33997	1.8
755.38635	1.1
769.36938	1.3
773.35291	1.1
803.70959	0.9
825.38885	2.5
843.39856	4.2
854.38910	1.3
855.39673	100.0
856.40204	4.0
923.45728	14.2
941.46552	61.6
942.46552	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	941.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.8
69.03426	2.7
69.07069	0.6
69.22752	0.4
69.23029	1.7
71.01351	0.5
71.05010	0.6
72.15475	0.3
73.02908	3.3
77.41517	0.3
79.05482	2.0
81.03412	2.3
81.07052	3.2
83.08615	0.5
85.02897	5.8
87.04472	0.8
91.03935	3.2
91.05482	1.6
93.07037	2.6
95.04977	0.6
95.08589	2.4
97.02879	5.5
97.03464	0.3
97.06544	0.3
99.04478	0.8
101.02373	1.6
103.03942	0.4
105.07048	1.3
107.08566	1.5
109.02911	1.2
109.10179	1.1
115.03932	0.5
119.04787	0.3
119.08620	1.0
121.10094	1.4
127.03934	1.2
129.07027	0.4
131.08611	0.8
133.10080	0.5
135.11703	0.4
145.05049	0.4
147.11710	0.4
149.09680	0.6
157.10109	0.4
166.85873	0.3
175.11200	0.7
185.04277	0.9
193.12303	0.5
200.35091	0.3
203.05283	0.6
229.14427	0.3
243.08400	1.7
283.15073	2.8
296.05148	0.3
335.25754	0.6
339.17963	0.4
347.09457	2.5
363.08823	0.4
365.10803	0.9
399.09555	0.3
405.13623	5.4
405.18753	0.4
469.20123	0.4
501.22955	5.8
501.29529	0.4
519.29242	6.6
519.36194	0.5
663.28247	3.9
664.28363	0.4
681.34448	7.8
682.35120	0.5
765.02069	0.3
779.45477	2.0
903.79242	0.3
941.50623	100.0
942.50946	6.7
947.96539	0.4
961.23584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.12
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	0.5
71.51251	0.1
73.02899	0.1
79.01845	9.3
81.03406	0.9
85.02893	0.6
91.05450	0.3
95.01306	0.4
97.02879	2.2
103.03933	0.4
103.05466	0.4
107.01316	1.9
109.02864	0.4
116.71848	0.1
119.04954	0.3
119.91543	0.1
122.16260	0.2
122.62675	0.2
123.00803	0.4
125.02345	3.8
125.03218	0.3
129.03340	0.2
129.39034	0.2
131.04906	0.5
133.02899	0.2
137.02248	0.2
143.03383	10.1
145.06549	0.2
147.04382	0.6
153.01813	100.0
153.02896	7.1
154.02177	0.8
154.03282	0.2
157.02876	0.5
159.04376	0.4
163.03897	0.6
165.01793	0.2
171.02847	0.2
171.04298	0.3
173.02332	0.4
175.03873	1.3
177.01813	0.2
179.03368	0.2
183.04405	0.3
185.02332	0.6
187.03856	2.0
189.01830	0.3
191.03421	1.2
193.01300	0.2
193.04861	0.2
197.05934	0.4
199.03854	0.2
201.01727	0.8
203.03366	2.4
205.01338	0.2
205.04893	0.3
207.02917	0.3
213.01836	1.6
213.05453	0.3
215.03340	1.5
217.01288	0.5
217.04890	0.3
219.02907	1.4
229.01276	0.7
229.04933	0.7
231.02863	8.3
233.04352	0.2
235.02179	0.2
241.01288	1.7
241.04958	0.5
243.02863	0.6
243.06659	0.2
245.00705	0.4
245.04475	0.4
247.02359	2.3
251.03362	0.2
253.04868	0.4
255.02707	0.3
255.05009	0.6
257.00778	0.9
257.04419	0.7
259.02356	12.1
260.02805	0.2
261.03918	0.9
263.01837	0.5
269.04459	0.4
271.02365	0.3
271.06012	0.3
273.00259	0.2
273.03854	0.4
275.01846	2.2
276.02689	0.2
277.03397	25.9
278.03726	0.6
281.04489	0.4
283.02359	0.5
285.00192	0.9
287.01801	0.6
287.05338	0.2
289.03452	0.4
291.01324	0.3
297.03787	0.7
298.04745	0.2
299.02075	0.4
299.05444	0.6
301.00110	0.2
301.03452	0.5
303.01328	8.6
303.04877	0.4
304.01642	0.3
309.03790	0.4
313.03329	0.5
315.01370	2.5
315.04861	0.4
317.02887	0.2
321.02441	0.5
325.03406	0.7
327.04800	0.8
329.02954	0.3
333.02280	1.4
337.03424	0.2
341.02750	0.5
343.04520	0.5
345.02283	0.3
345.05930	0.2
353.02951	0.5
355.04468	0.4
357.02106	0.2
361.05261	0.2
371.03790	0.7
381.02310	0.4
387.03152	0.5
389.04987	0.7
399.03271	0.5
407.05966	0.7
417.04645	1.1
435.05542	2.0
453.06433	0.8
471.07700	0.5
512.53308	0.2
559.07007	0.7
577.08484	0.2
587.06677	1.8
605.07544	2.7
907.07056	0.6
925.09302	5.5
926.09686	0.2
951.79230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99770	0.2
69.03410	0.6
69.40920	0.7
73.02911	0.2
79.01847	8.7
79.78784	0.1
81.03412	1.2
85.02880	0.7
91.05470	0.3
91.43096	0.2
95.01302	0.3
97.02885	2.3
99.04465	0.2
101.02373	0.2
103.03906	0.3
103.05466	0.3
103.58710	0.1
105.03394	0.2
107.01315	2.2
107.02023	0.2
109.02866	0.5
119.04922	0.2
123.00765	0.2
125.02335	4.8
127.03888	0.2
129.03387	0.2
131.04906	0.5
143.03386	10.9
143.69522	0.2
147.04390	0.7
153.01813	100.0
153.02896	6.8
154.02104	1.0
155.04883	0.2
157.02824	0.4
159.04382	0.3
161.02307	0.3
161.06059	0.2
163.03902	0.7
165.01833	0.2
169.06499	0.2
171.02878	0.2
171.04344	0.4
173.02327	0.3
175.03894	1.3
177.01874	0.2
179.03369	0.3
183.04402	0.3
185.02362	0.7
187.03899	1.9
189.01817	0.4
191.03374	1.1
193.01260	0.3
195.02859	0.2
197.06055	0.4
199.03813	0.2
201.01848	0.6
203.03365	2.7
205.04865	0.2
213.01865	1.3
213.05463	0.2
215.03384	2.0
217.01253	0.4
217.04840	0.2
219.02861	1.1
223.03888	0.2
225.05634	0.2
227.03255	0.3
229.01270	0.7
229.04951	0.6
231.02867	9.0
233.04294	0.3
234.86058	0.1
235.02348	0.3
241.01260	1.3
241.04910	0.4
243.02856	0.3
245.00705	0.5
245.04494	0.8
247.02376	1.9
249.04045	0.2
253.04922	0.4
255.05005	0.7
257.00848	1.1
257.04373	0.7
259.02356	12.8
260.02914	0.2
261.04065	0.7
263.01880	0.3
265.71722	0.2
269.04465	0.6
271.02267	0.3
271.05920	0.4
273.03952	0.6
275.01874	2.1
275.04858	0.3
276.02554	0.3
277.03403	27.5
278.03665	0.5
281.04407	0.4
283.02328	0.3
285.00311	0.9
285.03879	0.4
287.01819	0.6
287.04874	0.2
289.03439	0.3
291.01215	0.3
297.03726	1.0
298.04340	0.2
299.02090	0.2
299.05460	0.6
301.00076	0.2
301.03342	0.3
303.01321	8.9
305.02728	0.2
309.03964	0.2
313.03314	0.6
315.01340	2.2
315.04660	0.2
317.02979	0.3
321.02344	0.6
325.03226	0.6
327.04926	0.7
329.02829	0.4
333.02365	1.5
341.02722	0.4
343.04388	0.3
345.02206	0.3
353.02740	0.6
355.04504	0.4
357.02188	0.2
359.03769	0.2
361.05594	0.2
371.03931	1.2
381.02261	0.4
387.03363	0.3
389.04819	0.6
399.03351	0.5
407.06039	0.4
417.04373	1.1
435.05499	1.8
453.06458	0.8
471.07349	0.4
541.06110	0.2
559.06982	0.6
587.06628	1.4
605.07599	2.9
879.08643	0.2
907.07251	0.5
917.62787	0.2
925.09326	5.8
926.08258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.1
69.07048	4.4
76.35532	1.1
78.31236	1.2
79.05492	3.2
81.07052	38.1
93.07018	2.7
97.06509	2.1
98.23545	1.6
99.08089	23.9
105.07018	2.5
107.08588	6.2
109.10141	4.9
114.93408	1.1
119.08550	2.5
123.08037	1.1
125.09615	11.6
127.11166	4.4
131.08549	2.2
143.08583	2.6
143.10660	10.4
145.10106	3.1
147.08034	1.4
147.11638	1.5
155.08589	2.4
159.07982	1.1
165.12756	2.3
169.10107	1.6
171.07999	1.1
173.09596	3.4
179.08429	1.1
181.09998	1.4
183.11592	2.1
191.10643	1.5
193.10202	1.1
195.11646	2.0
197.13303	4.0
209.13242	1.6
213.12703	2.4
221.13252	2.0
223.11137	3.0
223.14601	1.4
225.12708	3.5
229.03841	1.5
237.16222	2.3
239.14319	1.7
247.14827	1.7
253.19534	1.7
255.17427	2.2
265.15833	3.9
279.17847	1.5
283.16870	13.5
283.49640	1.5
285.18448	1.5
299.16351	4.3
301.17957	100.0
302.18445	2.0
303.19513	15.4
311.20001	2.4
329.20941	8.7
335.20093	1.8
353.20966	5.5
371.22049	3.9
373.25159	1.4
391.26212	2.1
409.27347	24.4
427.28409	42.6
428.28641	1.5
434.10037	1.2
445.29547	12.9
463.30475	59.1
464.30612	3.1
818.14532	1.3
952.51770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.369
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79649	1.7
68.33601	1.7
69.57299	1.7
69.69062	7.0
79.05508	3.0
89.03897	11.8
91.05466	3.9
94.04201	2.2
95.04957	3.5
97.71710	1.9
98.22980	6.1
103.05453	20.0
105.07021	11.7
107.04933	5.8
109.06523	2.4
115.05478	2.6
117.03384	26.2
118.02197	1.7
121.06541	3.0
122.03630	5.3
131.04921	33.5
133.06482	9.3
137.05968	55.9
143.04910	2.5
145.01686	3.0
145.02838	59.3
146.07632	2.0
147.04390	2.2
149.05966	18.7
151.03889	15.2
161.05956	12.2
162.06729	2.6
163.07553	13.2
165.09085	5.9
175.07536	7.0
177.05463	100.0
187.07515	8.8
189.05460	3.8
191.07011	2.1
199.07500	3.1
201.05360	15.3
201.09148	4.1
203.07008	3.9
205.06665	2.3
215.06876	10.6
216.56578	1.9
219.10129	2.8
221.09642	1.9
231.06511	2.0
234.06737	3.7
237.09085	6.4
239.07053	2.7
249.08932	3.2
254.09387	1.8
259.09616	3.1
265.08496	9.1
271.09747	2.5
277.08511	11.9
279.10089	4.0
291.09995	1.8
293.11319	2.2
294.08765	3.4
295.09766	2.9
297.11115	8.8
305.08160	1.8
309.11203	16.7
311.12714	9.8
321.11426	2.1
323.09109	2.4
323.12616	3.5
325.10724	5.1
325.14227	2.9
337.10645	21.5
339.12332	2.5
353.10248	3.2
355.11673	4.8
361.10669	5.1
371.11307	2.2
391.11526	2.4
407.11008	5.0
469.16449	3.5
497.15552	3.7
679.25427	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	944.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14981	1.2
69.15363	4.3
73.25310	0.7
79.05492	1.7
80.81649	0.7
85.56977	0.6
89.03905	9.2
91.05478	6.0
94.04186	1.3
95.04940	2.3
98.22651	1.2
98.23315	2.3
102.30821	0.6
102.91111	0.7
103.05458	18.7
105.03374	1.4
105.07024	4.0
107.04946	2.9
109.06490	0.8
115.05429	2.1
117.03359	24.7
119.04951	4.6
121.06463	1.8
122.03622	1.4
124.05227	0.7
129.07022	0.8
131.04915	33.9
133.02841	17.6
133.03859	0.9
133.06444	4.2
134.03593	2.7
135.04399	3.2
137.05959	22.1
137.07008	1.2
145.02831	61.8
146.03549	1.0
147.04366	3.8
147.07982	0.9
149.05977	13.6
150.06760	1.8
151.03882	1.7
160.05235	1.0
161.05962	8.4
162.06715	1.9
163.03860	1.6
163.07539	11.0
165.05463	1.9
166.22534	0.7
173.05945	0.8
175.03857	5.2
175.07584	1.5
177.05449	100.0
178.05791	1.1
184.87560	0.7
186.05446	0.8
187.07558	1.9
189.05426	1.9
191.07013	0.7
194.07286	1.3
201.05431	10.6
205.06500	1.3
219.08055	1.3
219.10011	1.1
223.07446	0.8
231.06317	1.1
233.05963	1.8
233.09575	0.9
234.06773	1.5
235.07457	1.5
237.09145	1.5
246.06747	0.8
248.08311	0.8
249.09129	2.2
250.06239	1.4
261.05273	1.3
261.09064	0.9
262.06290	1.0
263.07028	1.3
264.07620	0.9
265.08472	2.5
265.40759	0.7
266.09238	1.1
275.06812	0.8
277.08545	5.2
278.06064	0.7
278.09268	1.1
279.10318	0.9
283.09589	1.5
291.10071	0.7
292.07211	1.5
293.08023	2.2
293.11478	0.9
294.08752	1.6
295.09607	1.6
297.11224	1.9
305.08075	1.0
307.09631	1.7
309.11176	4.6
310.12039	1.1
311.12726	1.0
321.11237	1.5
323.09302	1.5
323.12570	0.9
325.10687	14.0
325.14197	1.3
337.10696	4.6
341.14154	1.0
343.15240	1.1
349.10495	1.1
353.10052	1.0
355.11676	5.2
394.16785	0.7
485.15680	1.2
501.15378	1.0
517.18451	4.6
634.65198	0.7
667.23871	0.8
743.86237	0.8
964.52686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11712	2.8
89.03901	7.9
91.05471	1.6
95.04971	0.7
95.65739	0.5
98.22827	1.7
98.23513	0.9
103.05448	5.4
105.04536	0.6
105.06991	0.7
107.04933	1.3
115.05415	0.8
117.03368	17.4
117.11783	0.5
119.04945	1.0
131.04906	12.4
133.02840	4.0
133.06474	1.1
134.03598	1.4
135.04384	1.5
137.05937	3.2
145.02832	54.4
145.06487	1.2
147.04382	1.3
149.05975	7.1
161.05981	1.7
163.03864	2.1
163.07530	3.2
165.05511	0.6
175.07532	1.9
177.05449	100.0
178.05821	0.9
180.90126	0.5
186.05460	1.8
187.07495	0.8
189.05463	1.2
189.09087	1.2
192.81520	0.6
201.05412	1.2
201.09073	1.0
219.08119	0.8
219.10129	2.7
221.09456	0.5
247.05769	0.6
249.09180	1.0
252.00902	0.5
253.83000	0.6
263.10641	0.5
265.08560	0.7
277.08411	0.8
279.10095	0.9
283.09543	1.2
291.10107	0.9
295.09546	1.0
297.11292	0.9
307.09537	1.2
309.11157	2.4
310.11853	2.1
311.09341	0.5
321.11298	0.6
322.11923	0.6
323.12589	0.7
325.10626	1.7
337.10678	1.8
340.12979	2.3
395.14783	3.9
427.88092	0.5
455.28003	0.6
469.55801	0.6
517.18665	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	949.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95065	0.3
71.19050	0.4
71.82530	0.3
96.82534	0.3
98.22921	0.5
103.05469	0.6
119.04894	0.4
132.90570	0.3
133.18166	0.3
145.02831	0.4
147.04401	0.3
159.04242	1.5
171.04198	0.4
172.04935	0.5
175.03641	17.7
176.04257	0.3
177.05551	0.9
185.05765	0.8
365.10159	0.5
380.12381	0.8
407.14731	0.4
765.25873	0.4
806.23920	0.4
890.55792	0.4
949.32367	100.0
950.32666	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	949.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84193	0.4
70.04041	0.3
70.53061	0.5
98.23225	0.6
103.05491	1.1
103.92381	0.4
107.04951	0.4
125.06004	0.5
131.04918	1.6
133.06494	0.4
145.02879	0.7
147.04420	0.7
149.06076	0.4
150.97249	0.4
159.04211	0.8
163.07672	0.3
172.04929	2.0
175.03644	12.6
177.05542	0.8
179.07079	0.5
185.05798	0.8
191.27005	0.3
216.03922	1.5
334.11810	0.3
365.10242	0.4
380.12292	0.6
385.12607	0.5
397.12802	0.5
399.14087	3.9
405.59244	0.3
407.15250	0.4
636.94092	0.4
751.23987	0.4
765.25525	0.5
779.96149	0.3
949.32385	100.0
950.32898	4.8
953.59290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21186	0.6
71.05119	0.8
81.84048	0.7
81.84542	0.8
98.22972	0.8
103.05486	1.0
131.04982	0.9
133.06506	1.0
133.62781	0.7
137.06013	1.6
139.03975	0.8
147.04457	0.7
153.84189	0.8
159.04243	0.9
160.04929	0.7
175.03630	17.5
185.05783	0.8
200.48045	0.8
224.74843	0.7
272.10358	1.3
281.07581	0.8
363.02206	0.8
403.42706	0.7
410.13721	0.7
418.65652	0.7
470.71817	0.8
901.65381	0.8
949.32404	100.0
950.32434	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	950.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	100.0
69.03421	18.3
69.07063	58.5
69.27974	7.3
71.01336	5.2
71.04991	12.2
73.02902	6.9
75.58987	1.4
77.03915	3.6
79.05487	86.1
81.03414	30.8
81.07049	82.0
83.01327	9.2
83.04969	30.3
83.08613	28.4
85.02901	28.8
85.06535	5.5
91.03955	11.8
91.05472	77.1
93.07035	83.5
95.04958	35.2
95.08596	53.8
95.45031	1.4
97.02879	22.6
97.06511	21.5
97.10159	17.8
98.07317	1.9
98.23428	3.3
99.04457	5.3
99.08042	2.1
103.05458	2.4
105.04490	6.8
105.07020	52.9
107.04946	24.9
107.08583	48.3
109.02878	3.8
109.06505	16.4
109.10148	40.4
111.04427	5.2
111.08078	12.1
113.09656	1.7
115.03937	1.7
115.05414	3.4
116.04697	3.2
117.07005	27.1
119.08569	43.7
121.06482	13.0
121.10132	20.5
123.04388	2.6
123.08060	22.1
123.11674	3.5
125.05950	3.1
125.09641	14.0
126.37455	1.9
127.03909	6.3
128.06198	2.6
129.05493	11.6
129.07013	8.8
130.07773	3.0
131.08563	28.4
133.06458	6.0
133.10123	30.6
134.10495	1.6
135.08046	7.3
135.11690	26.2
137.09604	17.3
139.07550	2.0
139.11130	2.3
141.07005	2.9
141.09091	1.8
143.06992	2.8
143.08563	8.0
145.04977	4.0
145.06451	3.5
145.10106	36.4
147.08003	10.5
147.11652	15.2
149.09605	19.1
149.13237	4.7
151.11191	6.0
153.09081	2.7
153.12730	4.9
155.08551	6.2
157.08568	4.0
157.10106	6.3
159.11691	14.3
161.09616	4.7
161.13249	7.4
163.06021	2.5
163.11168	43.4
165.09052	2.4
165.12761	2.4
169.10106	3.2
171.10257	3.0
171.11661	3.3
173.04420	3.5
173.09586	5.9
173.11719	12.4
173.13254	9.0
175.11180	5.2
177.12735	4.7
179.14314	3.2
181.12206	5.8
183.11681	2.8
187.11223	2.9
189.11198	8.6
189.12746	3.2
191.10674	5.7
193.12190	3.1
195.11832	1.8
199.13243	2.1
201.12718	2.2
203.10501	1.7
209.11708	13.6
211.13271	3.0
213.16451	1.6
223.13300	12.9
227.12759	18.3
229.14241	9.9
239.17935	1.6
243.16028	1.6
245.18901	2.6
247.20605	3.6
247.96469	1.6
249.14830	1.8
253.14278	7.2
255.15858	4.5
257.18890	8.5
263.19864	2.0
265.14349	3.4
267.15961	7.4
273.18439	10.1
274.19122	2.5
275.17450	2.4
275.20090	32.0
283.15381	94.1
284.15805	2.9
285.16757	2.9
291.19504	51.7
293.21112	4.5
301.16516	17.0
311.14877	2.2
321.24228	2.6
326.10974	1.7
329.20853	1.9
331.22659	2.0
347.21841	1.9
349.23703	46.8
365.23294	21.1
379.21133	9.8
437.25229	51.2
451.26630	6.2
461.29001	10.5
463.26810	3.7
477.28568	7.7
493.27911	2.9
505.27792	2.4
519.32928	1.9
539.33459	7.4
555.33185	2.1
557.26196	3.6
557.34656	69.3
573.34094	9.9
574.34283	2.5
575.35748	12.7
591.35144	29.1
969.61145	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	950.495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	24.2
69.03429	4.6
69.07054	6.6
71.01365	1.2
71.04987	4.7
71.43362	0.8
73.02903	1.4
75.94583	0.8
77.03924	1.1
79.05484	26.8
79.05943	1.4
81.03409	45.3
81.07047	25.3
83.01327	4.8
83.04972	16.3
83.08607	18.3
85.02406	1.4
85.02893	16.4
85.06532	1.8
85.39590	0.8
91.03958	1.8
91.05470	28.8
93.07033	23.3
95.04959	21.5
95.08592	10.5
97.02897	6.6
97.06518	6.7
97.10152	8.0
99.04431	2.5
99.08104	0.9
105.04507	1.6
105.07014	18.2
107.04953	10.1
107.08587	12.0
109.06502	7.8
109.10120	5.1
111.04429	7.0
111.08068	8.5
113.05999	1.6
115.05421	1.5
117.07010	8.0
119.08561	18.8
121.06484	3.3
121.10124	9.7
123.04406	1.0
123.08056	6.5
125.05936	1.1
125.09628	6.5
127.03938	0.7
129.05518	1.0
129.06995	8.7
131.04942	1.2
131.08534	10.1
133.06473	2.2
133.10083	7.6
135.08029	5.3
135.11671	9.4
137.05969	1.0
137.09607	3.1
142.07738	2.0
143.08569	1.6
145.06470	2.2
145.10103	11.9
147.07997	4.5
147.11665	11.0
149.09555	4.8
153.09073	1.4
153.12753	3.8
155.08488	1.4
157.10097	9.1
159.08031	4.7
161.09673	1.0
163.06049	1.4
163.07553	1.9
163.09782	1.0
163.11159	18.0
165.12759	2.5
171.07948	0.8
173.09576	4.1
175.11130	9.7
176.81854	1.0
181.12193	4.2
189.09471	0.8
189.11209	2.5
191.10664	3.5
193.12227	25.6
209.11754	4.8
211.11237	1.9
211.13252	34.8
227.12761	8.7
229.14326	1.9
267.15872	18.6
271.16879	3.1
283.15375	19.2
285.16916	34.2
287.01892	1.0
289.17938	13.0
307.19083	5.2
313.03290	2.2
345.20810	1.3
363.21533	5.2
381.22659	18.5
383.22272	1.8
451.13904	2.7
457.25650	4.2
465.48932	0.9
475.26819	25.9
476.27066	1.1
481.85199	0.9
493.27908	100.0
494.28012	3.3
524.94464	1.0
537.32208	1.2
555.32977	7.9
573.25452	1.1
573.34149	20.3
574.34082	1.3
591.35211	35.9
592.35492	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	952.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03369	0.6
69.67609	1.3
81.03365	0.9
83.01285	0.4
85.02828	0.5
97.02828	0.9
98.22808	0.6
99.04385	0.5
145.91551	0.4
147.04305	0.7
153.01704	0.8
157.02826	0.6
175.03851	1.4
185.02364	0.8
187.03908	2.2
203.03354	1.6
208.82613	0.4
213.01759	1.8
215.03328	2.2
223.03943	0.6
229.01231	0.6
230.99132	0.4
231.02855	10.1
239.03300	1.0
241.01228	1.6
247.02278	0.9
251.03296	0.9
257.00934	0.7
257.04266	0.4
259.02359	16.0
260.02841	0.6
267.02902	1.9
269.04352	0.6
275.01767	1.4
277.03397	37.0
278.03711	0.9
279.02859	1.4
284.11230	0.4
285.00336	0.9
285.03668	0.7
295.02362	1.7
297.03821	1.3
299.01694	0.5
303.01331	10.5
307.02478	2.5
313.03357	1.7
321.02341	0.7
323.01843	11.8
325.03271	1.7
335.01938	1.6
341.02939	2.2
345.02408	0.4
351.01328	11.8
353.03073	0.6
363.01416	5.4
369.02386	0.7
379.00800	35.6
380.01199	1.1
381.02713	0.9
391.00787	5.0
397.01862	0.9
407.00281	55.7
408.00464	2.5
409.01813	1.6
425.01382	2.4
427.02969	2.6
434.99799	2.8
453.00839	100.0
454.01147	3.2
471.02005	4.1
547.41907	0.5
577.58002	0.5
597.04944	0.8
615.05829	1.9
816.23096	0.4
917.05701	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98872	0.4
68.45649	0.4
68.99769	0.7
69.03413	3.7
69.03781	0.5
69.03868	0.3
69.48792	1.8
71.01314	0.7
71.04939	0.5
72.90411	0.4
73.02873	1.1
73.47559	0.4
81.03409	4.5
83.01337	4.3
85.02885	2.9
97.02856	2.1
98.23019	1.6
99.04402	1.4
101.02348	0.7
103.05421	1.1
109.02872	3.9
111.00761	1.0
119.04880	0.5
123.00729	1.6
127.03883	3.2
131.04887	0.7
139.00232	3.9
145.02782	0.6
147.04385	1.6
153.01807	4.9
157.01285	1.3
157.02820	1.3
159.04388	0.4
169.01251	1.6
171.04362	0.5
173.02278	0.9
175.03838	2.4
177.01776	0.9
180.61639	0.4
185.00751	3.2
185.02327	2.1
186.01483	0.5
187.03853	6.0
189.01653	0.7
191.03384	0.6
199.03767	0.6
201.01794	2.1
203.03342	4.1
205.01241	0.8
213.01765	4.6
213.05417	1.0
214.62413	0.4
215.03362	6.5
219.02945	0.7
229.01314	3.2
231.02841	25.5
232.03424	0.9
237.63589	0.4
239.03215	0.6
241.01273	4.1
241.04909	1.2
243.02771	0.6
245.00659	0.6
247.02255	3.7
248.51868	0.5
251.03389	1.3
253.04781	0.8
257.00763	4.8
257.04379	0.8
259.02350	40.3
260.02856	1.4
261.03870	1.4
267.02887	1.5
269.04379	2.3
273.00262	1.0
275.01859	4.5
276.02454	1.1
277.03384	100.0
278.03769	1.4
279.02914	0.6
281.04175	0.6
285.00311	2.9
285.03784	1.2
286.00778	0.7
287.01810	2.0
289.03455	1.3
295.02338	1.4
297.03983	3.8
299.01794	0.7
300.99689	0.7
303.01294	54.7
304.01608	1.4
307.02429	0.9
312.99927	0.8
313.03406	2.1
315.01288	2.7
315.04840	0.9
319.04437	0.6
321.02286	3.7
323.01862	3.2
325.03207	2.1
328.99173	3.5
329.02524	0.6
335.01810	0.7
337.03516	1.4
341.02893	2.9
343.04565	2.3
345.02170	2.1
351.01358	2.3
353.02853	3.9
357.06186	0.6
363.01279	0.7
369.02322	3.6
371.03860	2.8
379.00833	3.6
381.02277	5.1
383.03986	0.7
385.05313	0.6
387.03421	2.9
397.01828	4.6
399.03583	2.2
407.00220	3.8
409.01660	2.1
411.03494	0.9
425.01486	1.8
426.01947	1.3
427.02899	65.3
428.03253	1.0
429.04465	1.0
434.99802	1.7
445.04007	1.0
447.05426	1.6
453.00821	92.9
454.00790	2.2
465.06644	2.1
471.01849	7.8
597.04974	2.0
598.05328	0.5
615.06134	12.6
633.06897	1.2
651.76514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99754	0.6
69.03429	4.7
69.46809	0.4
71.01325	0.7
71.04976	0.7
73.02915	0.6
75.44123	0.3
81.03422	5.1
83.01347	3.2
85.02898	2.7
89.64871	0.3
91.05460	0.8
95.01292	0.9
97.02864	1.6
99.04425	1.6
100.34580	0.3
100.35273	0.3
100.90910	0.4
101.02322	0.5
103.05422	0.9
109.02872	4.9
111.00768	1.4
119.04900	0.6
123.00745	1.2
127.03902	3.5
131.04935	1.0
139.00273	3.7
145.02872	0.5
145.04950	0.9
147.04395	1.6
153.01817	3.9
153.02945	0.6
157.01300	1.1
157.02835	1.1
157.98409	0.4
159.04419	0.5
169.01311	1.0
173.02356	0.6
175.03847	2.6
177.01819	1.2
185.00789	3.5
185.02344	1.9
187.03896	6.0
189.01807	0.6
191.03357	0.7
199.03787	0.6
201.01764	2.5
203.03403	3.8
205.01231	1.0
213.01834	4.4
213.05411	0.8
215.03363	5.3
217.01347	0.6
219.02917	0.9
223.03764	0.5
227.85422	0.3
229.01277	2.6
230.02020	0.5
231.02855	23.0
232.03439	0.5
239.03596	0.5
241.01320	4.1
241.04831	0.8
243.02908	0.8
245.00841	0.4
247.02339	3.0
251.03511	0.5
257.00797	4.4
257.04391	0.7
259.02368	39.3
260.02902	1.4
261.03864	1.0
267.02921	0.9
269.04498	2.4
273.00400	0.8
275.01846	5.1
276.02658	0.8
277.03409	100.0
278.03827	1.4
279.02884	1.1
281.04367	0.7
285.00287	4.1
285.03876	0.9
286.01053	1.1
287.02023	2.6
287.05121	0.6
289.03522	0.8
295.02371	1.5
297.03876	3.2
300.99951	0.5
302.00519	0.4
303.01331	57.9
304.01663	0.5
305.00616	0.5
307.02328	0.6
313.00055	0.8
313.03482	2.2
315.01303	2.0
315.04782	0.7
321.02307	2.7
323.01926	3.4
325.03381	2.3
328.99326	3.1
329.02847	0.5
335.01981	0.7
337.03369	0.8
341.02914	1.4
343.04443	1.6
351.01340	1.6
353.02820	2.7
355.04611	0.5
357.06345	0.5
363.01373	0.7
365.02826	0.6
367.00607	0.5
369.02383	2.8
371.03900	2.9
379.00665	3.4
381.02350	4.8
382.03217	0.4
383.04178	0.5
385.05682	0.8
387.03598	2.1
397.01923	4.4
399.03555	1.6
407.00369	4.1
408.00653	0.5
409.01828	2.5
411.03168	0.6
425.01205	1.7
426.02188	1.2
427.02933	58.0
428.03128	1.1
429.04495	0.8
434.99893	1.9
447.05493	1.1
453.00864	81.1
454.01059	1.8
465.06595	1.6
471.01965	8.5
494.03387	0.4
597.05420	1.7
615.06000	11.7
633.06836	0.9
722.08881	0.4
808.54590	0.4
893.65649	0.4
935.07617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.51
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	88.2
67.05868	4.2
69.03426	18.6
69.07064	34.9
69.19711	3.6
69.20108	7.3
71.01382	2.0
71.04991	9.5
71.08628	4.1
73.02918	12.0
77.03931	4.2
78.04722	2.4
79.05488	84.0
81.03415	33.7
81.07052	81.1
82.04195	7.3
83.04979	24.8
83.08608	22.8
85.02903	29.5
85.06541	7.5
87.04462	2.7
87.21216	1.8
89.48440	2.0
91.03947	13.5
91.05473	100.0
91.06052	4.8
93.07036	90.5
94.07805	2.6
95.04346	2.2
95.04961	43.2
95.05538	3.7
95.08594	42.8
96.04502	2.4
97.02882	24.3
97.06519	19.4
97.10166	15.6
98.07306	5.9
99.04429	3.6
99.08088	7.2
101.05990	2.7
103.03915	2.0
103.05441	4.6
105.04510	5.8
105.07022	73.1
107.04944	16.8
107.08582	45.2
109.02868	3.7
109.06519	13.9
109.10158	23.9
111.04446	3.8
111.08067	10.8
111.83402	1.7
113.06020	2.3
115.05450	4.6
116.04028	2.0
116.04684	11.6
117.07010	30.5
119.08569	61.2
121.06476	8.6
121.07301	2.0
121.10130	30.7
123.08070	14.2
123.11706	4.3
125.09632	22.2
127.03893	13.5
127.11192	1.9
128.06221	4.3
129.05470	38.9
129.06958	16.1
131.07645	3.7
131.08554	41.6
131.09459	3.7
133.06468	5.0
133.10120	45.7
135.08040	8.5
135.11678	24.8
137.09630	6.6
139.11180	2.2
141.06941	2.8
142.07765	3.0
143.07033	9.5
143.08533	12.1
145.04977	8.2
145.06438	3.8
145.10126	31.8
146.10896	2.8
147.08032	4.6
147.11674	42.7
149.09653	12.5
149.13228	18.2
151.11168	6.7
153.09129	2.6
153.12633	2.4
155.08548	3.4
157.08606	17.4
157.10123	20.4
159.08066	2.2
159.11674	20.6
161.09676	4.2
161.13243	12.9
163.06070	3.5
163.11176	16.6
165.12688	3.4
169.10225	4.7
171.06516	2.0
171.10286	4.0
171.11710	10.5
173.11774	3.8
173.13255	8.9
175.11191	8.6
175.14795	5.3
177.12733	6.9
179.10646	2.9
181.10129	2.4
181.12082	2.3
183.11600	3.9
185.13264	8.5
187.11079	3.2
187.14821	3.3
189.11232	9.8
189.12718	2.8
193.12215	13.0
195.13777	6.8
197.13248	3.4
199.13237	6.8
199.14833	4.6
201.14810	2.6
209.11717	6.5
211.13226	5.8
219.13719	4.0
227.12666	17.0
229.14186	4.6
229.19612	2.4
231.21054	2.6
241.19434	13.3
255.15733	4.7
257.18991	7.7
259.20596	32.9
267.15817	10.7
269.17450	24.0
275.19989	20.2
283.15396	11.2
285.16959	4.0
293.21088	4.1
301.16418	86.8
302.16879	2.4
315.23157	4.1
331.22787	3.5
333.24280	24.4
349.23706	15.3
351.25467	2.7
381.22610	2.4
387.25021	2.4
449.29135	3.0
461.28534	2.4
477.28448	3.2
489.28094	2.1
490.60471	1.9
495.29202	22.0
525.35266	9.8
541.35254	6.8
542.35449	3.5
543.36304	5.7
559.36328	18.4
575.35541	7.6
577.36835	6.3
640.24127	2.0
678.78033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	94.1
67.97534	1.8
69.03417	15.9
69.07063	32.0
69.92299	2.3
69.92632	3.6
71.04992	8.5
73.02911	10.6
76.44079	1.5
77.03912	3.6
79.05486	92.1
80.06270	3.3
81.02957	3.3
81.03414	37.8
81.07050	90.4
82.03751	1.9
82.04194	5.2
83.04974	25.3
83.08607	22.3
85.02895	30.3
85.06538	7.1
91.03972	12.6
91.05474	100.0
93.07040	91.9
95.04971	38.3
95.08596	50.6
97.02883	22.3
97.03417	2.7
97.06525	19.8
97.10152	16.2
98.07283	8.5
99.04472	3.3
99.08080	5.8
99.22388	1.7
101.06019	2.0
103.05456	4.0
105.04531	4.7
105.07021	90.1
105.07735	4.4
107.04946	10.8
107.08588	46.9
107.09279	1.7
109.02868	4.2
109.06512	10.9
109.10158	23.3
111.04433	3.9
111.08094	11.1
115.05425	3.0
116.04692	10.5
117.07011	34.4
119.08575	63.3
120.09359	3.2
121.06474	8.4
121.10130	33.6
123.08063	12.7
123.11671	3.7
125.09617	17.6
127.03894	9.7
128.06215	5.4
129.05470	38.9
129.06964	18.6
131.08553	43.3
133.06482	5.1
133.10124	58.2
135.08034	7.5
135.11681	22.2
137.09590	9.3
141.06989	2.5
142.07797	4.6
143.07014	4.7
143.08566	13.2
145.04965	9.0
145.06473	4.5
145.10106	37.5
147.04439	1.9
147.08034	6.4
147.11661	45.5
149.09590	14.4
149.13246	16.1
151.11139	6.4
153.09093	3.0
153.12720	2.4
153.46295	1.7
155.08589	6.5
157.08624	14.4
157.10129	20.3
159.11688	27.7
161.09648	4.0
161.13261	24.2
163.06049	4.3
163.11172	11.8
163.14896	2.7
165.12738	3.8
169.10136	5.2
171.06561	3.1
171.10185	5.2
171.11687	15.2
173.11728	4.7
173.13277	14.8
175.11183	8.1
175.14832	8.0
177.12750	7.0
179.14301	2.7
181.10168	4.6
181.12215	1.9
183.11700	5.5
185.13232	10.9
187.14819	3.7
189.11224	9.3
189.12761	3.7
189.16357	3.2
191.10576	2.6
193.12242	12.3
195.13800	7.6
197.13254	3.6
199.13292	9.3
199.14886	5.4
200.14034	3.3
203.14381	2.0
209.11687	4.5
211.13281	7.2
213.16420	2.6
227.12750	17.0
229.14328	5.3
229.19574	2.1
231.20984	2.2
233.15370	1.8
239.17807	2.7
241.19525	16.4
247.20688	2.8
249.14828	2.6
255.15771	2.6
257.19025	10.4
259.20557	42.7
267.15863	19.7
268.16312	3.6
269.17456	26.7
275.20020	28.8
281.17435	2.7
283.15320	5.4
285.16916	6.3
292.81171	1.7
293.21014	2.3
301.16452	58.5
302.16742	2.0
306.25275	1.7
315.23065	4.1
331.22876	2.5
333.20410	3.6
333.24130	24.0
349.23630	13.9
350.24203	2.3
423.27448	3.4
449.29581	2.7
461.28979	5.0
477.28497	4.0
478.29330	2.0
495.29376	23.4
507.29102	2.5
523.33997	2.4
525.35858	9.0
541.35046	11.1
542.35504	8.8
543.36060	13.5
559.36145	14.1
575.35620	6.0
577.37274	6.5
618.28674	2.3
736.56000	1.9
952.45911	3.7
953.40686	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	53.2
69.03423	8.7
69.07060	18.9
70.54411	1.9
71.04985	4.7
73.02917	3.9
74.40183	1.3
75.31596	1.3
77.33070	1.3
79.05485	55.7
81.03416	65.6
81.03897	3.4
81.07050	86.7
83.04977	23.3
83.08620	34.7
85.02898	34.0
85.06541	3.0
91.03966	4.9
91.05474	53.9
93.07037	42.3
93.07603	3.0
95.04343	2.3
95.04957	42.3
95.05524	2.8
95.08595	26.2
97.02884	8.1
97.06532	12.3
97.10162	29.6
99.04459	3.4
99.08077	2.5
103.05446	1.7
103.93092	1.3
105.04561	2.4
105.07027	35.1
107.04945	18.2
107.08591	28.9
109.02901	1.9
109.06509	16.4
109.10139	13.2
111.04430	16.9
111.08082	16.4
113.06024	2.7
115.05432	2.3
117.07016	13.5
119.04935	1.5
119.08566	39.3
121.06513	9.4
121.10136	20.0
123.04421	2.4
123.08051	25.4
123.11745	2.7
123.37711	1.4
125.06001	1.7
125.09626	22.7
127.03916	3.3
128.06168	2.7
129.06993	15.9
131.08575	25.4
133.06458	6.8
133.10121	16.8
135.08049	7.3
135.11685	10.4
137.09601	7.0
139.11198	1.9
141.06970	2.3
142.07797	4.1
143.08560	7.2
145.06503	2.1
145.10120	16.0
147.08044	14.5
147.11679	17.0
149.09621	14.9
151.07515	1.5
153.09097	6.1
153.12668	8.2
155.08595	2.0
157.10124	18.6
159.11711	5.4
161.09644	10.8
163.06107	1.6
163.11168	18.9
165.09131	5.8
165.12764	5.6
169.10143	3.3
171.11725	4.2
173.09624	5.4
175.11189	17.7
177.12750	3.3
181.12222	8.3
185.09607	2.0
185.13232	2.8
187.11311	1.7
189.11198	15.8
189.12697	2.0
191.10591	6.9
193.12230	40.5
199.11096	1.5
205.12230	1.6
209.11671	2.2
211.13280	61.4
213.12720	2.1
219.13892	1.6
223.13152	6.8
227.12758	36.5
227.17976	2.3
229.14384	2.0
245.19037	4.6
249.14830	3.5
255.17409	3.3
257.15518	1.5
263.19870	1.7
267.15866	37.3
267.18723	2.2
273.18484	43.1
283.15421	6.3
285.16956	79.7
286.17282	1.7
291.19522	82.0
297.18420	2.0
309.20587	10.0
329.21280	2.3
331.22580	2.8
347.22101	16.1
364.39682	1.6
365.23215	55.5
366.23535	1.8
383.24298	21.2
447.28381	2.5
455.26303	3.4
461.28745	1.8
465.29691	4.0
477.28467	4.2
483.31149	4.4
493.27664	2.3
495.29230	1.9
511.28625	1.9
539.33862	12.8
547.36151	1.9
557.34717	74.4
575.35724	100.0
576.35663	3.8
593.36755	53.0
719.38916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	100.0
69.03422	11.8
69.07061	48.8
70.06866	3.0
71.01347	3.1
71.04976	11.0
73.02902	5.7
74.25616	1.3
79.05483	77.9
81.03407	78.3
81.07047	91.3
83.04976	32.5
83.08611	34.7
85.02897	39.4
85.06554	7.7
91.03952	8.5
91.05469	88.3
93.07034	62.0
95.01354	1.9
95.04961	50.1
95.08595	48.7
97.02889	15.7
97.06533	24.4
97.10160	13.1
98.23423	2.0
99.04460	3.0
99.08067	5.3
103.05415	2.9
105.04496	3.9
105.07021	66.2
107.04934	20.7
107.08582	34.1
109.02856	2.9
109.06506	12.2
109.10143	39.4
111.04453	3.9
111.08064	16.7
113.05991	2.9
113.09626	2.5
115.05444	3.5
115.41386	1.6
116.04684	2.6
116.06253	1.6
117.07015	16.2
119.08566	48.8
121.06518	7.4
121.10139	19.3
123.08058	11.7
123.11701	6.0
125.09623	12.4
127.03922	6.4
128.06221	3.9
129.05478	5.5
129.06984	19.0
131.08556	33.2
131.09415	1.4
133.06491	4.4
133.10110	36.2
133.74431	1.5
135.08063	7.2
135.11679	11.5
137.09605	18.9
139.11160	1.8
141.06955	2.8
142.07758	2.6
143.08530	6.3
145.04970	4.5
145.10091	22.6
147.08044	6.6
147.11670	29.8
149.09615	28.9
149.13252	5.6
151.11133	3.0
155.08560	2.9
155.10609	3.0
156.09325	1.6
157.08699	3.2
157.10091	21.6
159.11667	14.4
161.09579	5.5
161.13216	5.8
163.06030	2.4
163.11162	11.8
165.09102	1.9
165.12733	6.4
169.10118	4.5
171.10199	3.0
171.11681	4.1
173.09714	1.7
173.10399	1.7
173.11726	11.4
173.13263	6.1
175.11163	22.3
177.12627	3.5
179.10562	2.0
179.14297	3.3
181.12195	2.3
183.11702	2.5
185.13248	3.1
187.11194	2.6
187.13173	1.6
187.14769	2.3
189.11308	2.9
189.12747	2.3
193.12216	57.6
195.13843	3.5
197.13274	2.7
199.13223	2.6
205.12363	1.7
209.11624	2.1
211.13261	75.3
223.13290	3.2
227.12759	12.2
229.14323	14.8
229.19485	1.9
239.17940	2.8
243.15884	2.8
247.17049	1.4
247.20532	2.7
253.14246	3.4
255.15829	2.3
257.19031	10.1
259.20569	2.2
267.15869	29.5
269.17422	6.3
273.18451	5.6
274.19037	1.8
275.20023	35.8
283.15399	3.5
285.16919	53.7
291.19446	7.7
293.21017	4.0
299.14835	2.3
301.16443	11.4
331.22696	1.8
347.22131	2.5
349.19342	2.6
349.23676	45.8
350.24063	1.5
363.21915	1.6
365.23126	4.4
381.22485	3.1
421.25732	8.9
423.27325	2.1
439.26871	33.5
447.27271	2.9
453.28607	2.4
461.29083	2.3
463.30206	4.2
479.29584	3.3
495.29391	3.6
541.35132	19.6
557.34491	5.9
559.36261	44.2
560.36279	2.4
575.35675	13.1
577.37512	7.2
593.36340	2.7
603.02380	1.7
612.31683	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	41.0
67.60671	1.2
69.03419	4.0
69.07066	14.6
71.01363	1.6
71.04997	6.0
73.02909	2.9
77.03924	1.6
79.05487	42.3
81.02954	2.6
81.03415	33.6
81.05804	1.2
81.06569	2.4
81.07050	42.0
83.04984	7.0
83.08618	13.7
85.02893	8.5
85.06539	3.9
91.03960	4.9
91.05472	41.7
92.05830	1.5
93.07037	37.6
94.07368	1.1
95.04962	19.4
95.08602	24.8
97.02888	8.6
97.06531	7.0
97.10152	9.7
99.08080	2.9
102.75342	1.2
103.05417	1.4
105.04515	3.0
105.07019	39.3
107.04976	5.5
107.08580	23.5
109.06520	5.0
109.10134	14.1
111.04431	1.9
111.08095	5.3
113.09607	1.3
115.05460	2.8
117.07009	16.6
119.08573	28.7
121.06508	3.6
121.10143	18.9
123.04432	1.8
123.08076	4.8
123.11693	3.2
125.09622	6.9
127.03941	3.3
128.06241	1.7
129.06985	12.9
130.07832	1.2
131.08565	25.4
131.50053	1.4
133.06488	1.9
133.10117	22.1
135.08063	3.6
135.11699	11.7
137.09618	2.9
140.35631	1.1
141.06985	3.6
142.07762	2.2
143.08519	7.9
145.04979	1.4
145.06499	1.6
145.10127	17.2
147.08044	2.8
147.11694	15.6
149.09622	5.3
149.13275	5.1
151.11165	2.1
153.07021	1.5
153.09077	1.2
155.08553	5.0
155.52081	1.2
157.10097	11.0
159.08070	1.7
159.11690	12.2
161.09622	2.2
161.13242	7.1
163.06042	1.7
163.11232	6.4
165.12798	2.2
167.08527	1.4
169.10127	6.1
171.08138	1.4
171.11674	6.7
173.09612	2.6
173.11790	2.3
173.13287	7.5
175.11163	4.8
175.14857	2.9
177.12827	1.7
181.10143	3.4
183.11647	6.1
185.09653	1.7
185.13280	5.1
187.14928	3.1
189.11218	4.7
193.12262	4.4
195.11708	2.3
197.13303	3.7
199.11162	1.4
199.14825	3.3
201.12758	1.5
201.16220	1.8
207.11739	1.8
209.13307	3.0
211.13194	1.9
213.16408	1.4
223.13087	1.8
227.12659	5.7
229.14311	2.4
233.15483	1.7
235.14783	1.4
239.18254	1.1
241.19580	4.6
257.19040	1.7
259.20584	12.4
267.15894	14.9
269.17493	2.5
273.18692	1.7
275.19928	5.8
277.21915	1.5
283.15402	3.9
283.20636	1.3
285.22293	1.2
291.19751	1.6
299.20059	1.4
299.23593	3.1
301.16541	1.7
303.01663	1.4
315.19650	1.5
325.21561	2.7
333.24203	9.4
334.25150	1.3
339.23151	1.6
349.23727	3.6
365.24304	1.5
371.25287	1.3
374.14117	1.2
403.24567	2.1
415.30130	2.4
421.25641	8.6
433.30753	5.6
435.27505	7.4
449.29208	1.9
451.32007	7.7
453.00790	1.4
459.27158	1.6
469.32990	3.1
477.28506	3.5
495.28955	2.6
503.33679	3.2
507.34393	2.1
517.34790	3.1
525.35767	36.7
526.35565	1.8
541.34875	2.8
543.36798	100.0
544.37219	6.0
557.39087	6.1
559.36115	1.9
567.36523	2.1
575.39832	9.0
633.37476	2.2
651.39032	3.5
657.37976	1.5
669.39532	2.2
687.41235	2.0
705.41559	2.8
952.44055	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.6
69.48016	1.6
79.01842	6.6
81.03410	1.2
85.02896	1.8
90.88634	0.3
95.56258	0.4
97.02872	1.4
98.23471	0.8
103.03942	0.4
103.05391	0.6
107.01299	2.0
109.02849	1.0
115.05425	1.0
125.02325	4.6
127.03925	1.1
131.04930	1.2
143.03391	8.9
143.04979	0.7
147.04366	0.7
153.01808	88.5
153.02911	7.0
154.02168	0.8
157.02855	0.5
159.04398	1.2
171.02902	1.0
171.04402	3.5
175.03879	1.6
177.05490	0.6
183.04359	0.5
185.02289	1.1
185.05914	0.4
187.03873	4.2
189.05460	0.7
191.03400	0.7
199.03880	4.8
201.01790	1.0
203.03336	2.8
205.04871	0.8
209.02348	0.5
211.03877	1.3
213.01848	2.2
213.05513	0.7
215.03366	6.3
217.04968	1.1
221.05891	0.4
227.03349	5.0
229.01306	2.2
229.04874	0.7
231.02852	11.5
233.04434	0.7
237.05630	0.9
239.03352	1.4
241.01282	1.6
241.04872	1.0
243.02898	5.1
245.04449	2.0
247.02339	2.4
255.02762	5.1
255.04997	12.4
257.00839	2.0
259.02353	18.7
260.02817	0.5
261.03964	2.2
269.04388	1.3
271.02353	8.5
272.02698	0.4
273.03876	7.5
275.01663	2.5
276.02603	1.0
277.03394	46.9
278.03708	1.0
281.04382	0.6
283.02359	6.7
285.00369	0.7
285.03998	0.5
287.01889	0.7
289.03397	7.4
293.04147	0.5
297.03876	1.6
299.01825	20.0
300.02228	0.6
301.03369	17.8
301.06888	0.8
302.00525	0.6
302.03571	0.5
303.01321	16.1
303.04431	0.5
304.01636	0.5
305.02798	2.1
311.01669	0.7
311.05280	0.5
313.03381	2.3
315.01379	8.3
315.04861	1.3
316.01984	1.2
317.02823	4.6
321.02582	0.9
323.01752	0.6
324.02661	0.4
325.03488	0.7
327.01324	9.5
327.04938	0.7
328.99161	2.4
329.02844	0.8
331.00803	2.5
339.01276	1.3
339.04904	1.3
341.02853	2.5
343.00735	0.7
343.04630	1.0
345.02362	100.0
346.02707	2.5
355.04535	0.7
358.13895	0.4
363.03622	0.6
365.02905	1.4
367.04440	1.6
369.02240	1.9
381.02240	1.3
383.03818	1.1
385.05450	1.3
387.03461	1.5
393.02496	1.5
394.34210	0.5
399.03534	0.8
411.03439	6.8
429.04373	0.8
447.05444	1.2
465.06552	1.1
468.64380	0.5
575.06622	2.9
581.05719	0.9
599.06335	1.5
617.07373	1.3
640.70520	0.4
937.09247	3.7
975.72614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.9
71.04939	0.4
71.43268	0.2
72.24427	0.2
73.02894	0.5
79.01847	2.3
81.03413	2.7
81.86932	0.2
83.01331	0.3
85.02876	1.2
91.05450	0.4
97.02901	1.0
99.04428	0.7
103.05442	0.6
107.01282	0.6
109.02866	2.5
109.55984	0.2
119.04878	0.2
123.00808	0.2
125.02348	1.2
125.03085	0.2
127.03907	3.5
127.67931	0.2
129.03302	0.4
131.04871	0.4
133.00536	0.2
143.03391	2.5
145.04927	0.3
147.04364	0.8
148.04597	0.2
153.01813	23.1
153.02922	1.7
154.02109	0.4
157.02824	0.7
159.04300	0.2
159.28319	0.2
163.03894	0.4
173.02306	0.8
175.03879	2.0
185.02252	1.1
187.03874	3.6
191.03310	1.0
199.03876	0.2
200.63121	0.2
201.01788	1.8
203.03369	3.5
213.01814	3.8
215.03369	4.3
219.02843	0.6
225.05370	0.4
229.01321	2.0
230.02017	0.4
231.02852	17.8
232.03163	0.5
237.05556	0.4
241.01266	2.8
247.02371	2.5
253.04967	0.3
257.00751	3.4
259.02350	31.6
260.02713	0.8
261.03885	0.4
261.50046	0.2
265.04846	0.3
271.73318	0.2
273.03928	0.4
275.01828	4.6
275.31604	0.2
276.02615	2.5
277.03391	100.0
278.03702	1.8
281.04395	0.5
283.02551	0.2
285.00302	2.4
287.05716	0.3
289.03442	1.1
297.03812	0.5
299.01770	0.3
301.03397	0.4
302.00711	0.3
303.01312	44.7
303.60367	0.2
304.01553	0.7
311.05423	0.4
313.03342	0.5
315.01495	1.3
315.04800	0.3
321.02322	2.9
327.01334	0.3
327.04654	0.4
328.99329	1.4
329.02811	0.3
337.03394	0.3
339.01306	0.2
339.04974	0.9
341.02747	0.8
343.04431	0.3
345.02536	1.5
353.02811	0.4
355.00638	0.3
355.04431	0.8
357.05939	0.7
363.03653	0.2
365.02637	0.4
367.04456	0.7
369.02206	0.3
383.03842	1.0
385.05585	1.5
387.03409	0.8
393.02435	0.4
399.03030	0.3
401.04837	0.8
411.03345	1.8
429.04437	2.4
446.99695	0.3
447.05606	4.1
453.00510	0.3
455.01770	0.4
465.06650	3.3
583.92230	0.3
767.07672	1.4
785.07916	0.6
897.58386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.0
70.72350	0.4
71.01348	0.2
71.04982	0.3
73.02901	0.7
79.01842	1.6
81.03403	2.0
85.02899	1.4
91.05435	0.4
97.02895	1.4
99.04449	0.7
101.03922	0.3
103.05467	0.6
109.02869	2.5
119.04940	0.3
125.02328	0.8
127.03912	3.2
131.04915	0.5
143.03400	1.8
145.04924	0.3
147.04378	0.8
153.01816	18.3
153.02916	1.3
157.02837	0.7
158.61320	0.2
159.04431	0.3
163.03819	0.5
173.02354	0.6
175.03867	1.6
180.90906	0.2
185.02280	1.0
187.02325	0.3
187.03893	3.9
191.03418	0.6
201.01811	1.6
203.03400	3.0
213.01802	3.5
215.03342	3.7
219.02924	0.3
229.01318	1.8
231.02864	17.5
232.03181	0.3
241.01300	3.1
247.02367	2.4
253.05038	0.4
257.00742	2.5
257.04633	0.2
259.02359	29.7
260.02844	0.6
261.03894	0.3
275.01828	4.0
276.02585	2.4
277.03400	100.0
278.03705	2.1
281.04547	0.3
285.00278	2.5
285.03488	0.4
287.02005	0.3
289.03409	1.1
299.01904	0.5
303.01321	43.2
304.01736	0.9
304.62415	0.2
309.04147	0.3
311.05386	0.4
313.03412	0.6
315.01346	1.5
315.04752	0.4
317.02646	0.3
321.02332	3.2
327.04861	0.3
328.99411	1.4
337.03366	0.4
339.01236	0.4
339.05112	0.5
341.02728	0.3
345.02481	1.0
355.04443	1.1
357.06033	0.5
363.03549	0.4
365.03290	0.6
367.04514	0.8
373.05807	0.2
381.02377	0.4
383.03857	0.9
385.05652	1.2
387.03311	0.7
399.03464	0.5
401.05075	1.0
411.03479	1.1
428.25043	0.2
429.04419	2.1
447.05551	3.9
455.01770	0.3
465.06616	3.6
583.13007	0.3
598.23236	0.2
767.06494	0.9
785.07776	1.6
928.28564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91943	2.8
67.05502	100.0
69.03430	8.6
69.07065	23.5
71.04985	10.6
71.42356	3.2
73.71295	2.9
79.05491	69.2
81.03410	96.4
81.07050	99.1
83.04972	23.9
83.08617	48.7
85.02900	52.7
85.06563	3.8
91.03961	8.9
91.05476	68.6
93.07042	62.1
95.04958	47.2
95.08604	45.6
97.02900	11.6
97.06530	14.3
97.10168	15.7
99.08074	4.5
103.05469	3.7
105.04523	5.6
105.07024	52.4
107.04931	19.6
107.08587	42.5
109.06509	13.1
109.10143	54.6
109.10883	3.6
111.04454	6.7
111.08070	24.1
113.05995	4.8
115.05476	4.3
117.07021	12.6
119.08555	41.9
121.06499	6.1
121.10131	21.3
123.08093	10.2
123.11659	7.3
125.09637	10.6
127.03895	5.1
129.06982	18.6
131.04944	3.4
131.08568	29.4
133.06445	6.0
133.10126	38.2
135.08070	4.0
135.11658	6.7
137.09587	8.5
142.07747	4.5
145.10063	16.6
147.11670	39.4
148.42892	3.5
149.09612	20.4
149.13266	11.2
151.11195	5.2
153.01810	3.1
157.10115	31.2
159.11707	14.0
163.11153	6.9
165.12791	9.9
171.11703	4.4
173.11737	13.7
173.13216	6.2
175.11136	24.0
183.11623	3.8
189.11185	5.2
193.12209	55.9
207.13884	3.3
211.11412	6.3
211.13277	74.2
211.15125	6.0
223.14818	3.9
227.12672	15.2
228.64909	3.3
229.14330	35.8
246.24388	6.6
247.78821	3.2
257.18985	7.6
267.15906	65.4
269.17474	31.8
275.20013	40.3
285.16934	75.6
293.21133	5.9
349.23615	41.1
367.24820	17.7
421.25589	21.3
439.26871	99.9
443.27606	5.1
461.29041	37.6
479.29974	85.9
541.35089	46.3
559.27686	5.0
559.36188	91.5
560.36243	6.2
577.37244	38.4
583.30951	11.5
623.33899	11.7
639.13647	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	954.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	70.6
69.03421	2.7
69.07062	16.8
69.60732	4.6
69.61126	4.7
71.08605	1.9
73.02920	3.4
77.03888	2.7
79.05043	3.0
79.05486	48.6
81.03379	2.1
81.07050	79.0
83.04990	2.8
83.08615	12.8
85.02892	23.1
91.03946	11.5
91.05472	29.4
93.07038	55.7
95.04964	5.0
95.08028	4.0
95.08599	59.7
97.02913	12.9
97.06502	6.5
97.10155	4.2
98.22720	2.9
105.07021	20.9
107.08593	31.0
109.10146	27.8
117.07004	9.3
119.08561	24.7
121.10121	25.2
123.08058	2.2
123.11715	11.9
127.03902	4.8
129.06981	2.9
131.08528	17.8
133.10110	20.3
135.11673	20.9
137.13255	3.4
143.08569	2.8
145.04930	5.3
145.10121	14.5
147.11674	14.7
148.03110	2.5
149.13263	12.1
157.10138	2.1
159.11659	14.5
161.13258	9.9
163.06024	4.3
163.14809	5.9
171.11690	3.2
173.13210	10.4
175.14830	5.6
178.06236	2.1
185.13272	2.4
187.14786	5.9
201.16429	2.6
203.17995	2.4
241.19432	6.6
243.21065	7.2
247.20372	2.1
259.20535	9.5
259.23062	2.2
261.22116	23.3
333.24274	8.9
335.25778	100.0
337.27356	13.1
446.79929	2.3
521.25751	2.0
521.43744	3.2
595.46790	15.2
613.48224	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.0
69.03430	4.3
69.07078	0.8
69.13306	1.8
69.13715	2.3
71.04990	1.4
73.02924	3.0
79.05506	2.7
81.03422	3.1
81.07053	2.1
83.04998	0.8
83.08629	0.9
85.02905	7.0
91.03954	3.3
91.05474	1.8
93.07064	2.2
95.01133	0.8
95.04970	1.5
95.08615	0.7
97.02889	4.9
97.10202	0.7
101.02392	1.3
105.07056	1.3
107.08630	1.2
109.02876	1.2
109.10155	0.8
119.08596	2.2
121.10125	0.9
127.03907	2.0
129.05522	0.7
131.08620	0.6
133.10127	0.9
145.04938	1.4
147.11685	0.8
153.01915	0.8
171.84438	0.6
185.04301	2.2
201.03760	1.7
203.05322	0.9
211.13272	0.9
214.71931	0.7
223.13176	1.1
243.08650	1.2
251.12527	1.1
301.09000	3.5
329.08530	1.0
347.09387	8.7
349.16434	1.0
356.56631	0.7
363.08762	3.8
365.10605	0.9
383.16574	0.8
385.18475	1.3
405.13635	7.0
413.17767	1.0
431.24039	1.0
433.25253	0.8
439.19370	2.0
463.14142	7.1
469.20538	4.9
477.15829	1.9
481.20236	3.2
505.19449	0.7
517.18793	0.8
524.20233	0.8
527.21088	2.1
535.16229	1.0
541.22821	1.2
545.22089	1.2
547.23108	3.4
551.28479	1.3
591.22876	0.8
601.24719	2.7
605.24133	2.3
609.29028	1.0
619.27051	1.0
631.25488	7.6
643.25775	2.5
647.24512	1.4
661.27338	1.5
690.27155	1.3
703.27118	4.6
713.33734	3.5
740.92297	0.7
745.34613	0.8
773.36279	1.1
785.35931	1.7
803.36414	1.1
829.38318	7.6
855.43646	2.0
871.39197	17.7
939.44751	3.1
957.46472	100.0
958.46674	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	962.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	9.6
69.03410	1.5
69.07053	4.2
70.50309	1.3
71.04994	1.1
78.97297	0.6
79.05482	12.7
81.03410	56.9
81.07051	11.5
83.04966	3.2
83.08613	13.2
84.52497	0.6
85.02903	1.6
85.06548	1.2
91.05472	14.4
91.16778	0.6
93.07037	7.6
95.04958	22.3
95.08602	6.2
97.02891	1.1
97.06539	2.4
97.10143	3.1
103.05464	1.0
105.07024	10.0
107.04958	4.4
107.08587	4.4
109.06519	2.8
109.10142	1.8
111.04404	1.1
111.08094	5.1
113.05939	0.8
115.05425	1.7
117.07023	1.3
119.08556	8.2
121.06501	1.5
121.10112	3.3
121.21225	0.7
123.04414	2.5
123.08041	3.2
125.06013	0.6
125.09609	2.5
129.06975	7.2
131.04956	1.6
131.08565	6.5
133.06479	2.5
133.10109	5.4
135.07979	1.4
137.06030	0.7
137.09570	1.0
141.06966	1.8
142.07779	1.9
143.04955	0.7
145.06468	1.9
145.10049	1.3
147.04385	1.7
147.08022	2.3
147.11653	6.1
149.05965	1.9
149.09608	4.6
151.03827	1.1
153.06985	1.5
155.06085	0.7
155.08521	1.2
157.06476	2.7
157.10117	8.1
161.06001	3.9
163.03937	1.1
163.11234	1.0
165.05540	0.7
165.06966	2.1
165.12755	1.4
167.08560	2.4
168.14328	0.7
169.06476	2.2
171.08090	2.2
173.05954	11.8
173.09589	0.7
175.03902	2.0
175.07556	1.5
175.11163	7.3
177.05415	4.1
179.08546	2.6
181.06447	4.7
183.08060	3.9
185.06009	5.2
185.07471	0.9
185.09637	1.3
186.06665	0.8
187.03802	0.8
187.07506	8.7
187.09029	0.8
189.05452	2.2
189.09137	0.9
191.03539	0.7
191.07007	0.8
193.04945	3.8
193.06473	1.5
193.10376	0.5
193.12213	16.8
195.08046	5.4
197.05980	5.4
197.09624	2.3
198.06735	0.8
199.03897	0.7
199.07509	8.2
201.05486	2.3
201.09082	13.7
203.03325	1.5
203.07013	1.6
205.04811	1.1
205.06544	0.8
205.10214	1.0
205.12032	1.0
207.08025	5.0
209.05980	6.4
209.09592	2.5
210.06696	2.1
211.07512	17.4
211.13228	4.2
212.08208	1.2
213.05435	11.3
213.08972	5.6
214.06139	1.3
215.06987	4.5
215.10532	0.8
217.04927	1.0
219.08107	2.3
220.08792	0.8
221.04266	1.5
221.06160	1.6
221.09610	1.9
223.05579	1.3
223.07539	12.5
223.11082	1.4
223.14861	1.5
224.08217	0.9
225.05556	4.5
225.09068	6.6
226.06194	1.6
227.06998	9.7
227.10577	1.4
229.04922	5.3
229.08615	3.1
231.06342	1.4
233.13234	1.0
234.06764	0.9
235.07483	2.9
236.08211	1.4
237.05377	5.1
237.09004	5.0
237.12738	1.7
239.07007	22.2
239.10660	1.4
241.04890	2.7
241.08551	2.0
243.06560	2.7
247.07553	2.6
249.09109	1.5
250.06354	1.2
251.07016	5.5
251.10612	1.5
251.14354	7.7
252.07881	0.9
253.04895	0.9
253.08511	2.3
253.15880	1.6
255.06499	19.1
255.10312	0.8
255.13647	1.1
257.07922	1.3
257.13138	0.8
261.09033	0.8
261.12653	2.1
263.07010	2.2
263.10767	0.7
265.05148	3.6
265.08560	5.2
265.12213	2.0
266.09479	0.8
267.06476	2.1
267.15891	100.0
268.16232	3.0
269.08026	2.4
269.15356	2.9
275.14261	2.0
277.12076	1.0
277.15866	1.0
279.06717	1.2
279.10168	1.8
279.13779	3.4
281.08118	1.2
281.15176	1.2
283.05963	7.7
283.08902	1.2
285.07623	1.1
285.12625	1.0
285.16998	4.1
289.12085	1.3
293.08072	1.0
293.15247	7.5
295.13382	1.2
297.07571	1.3
297.14771	3.3
301.14297	1.4
303.13834	5.1
305.11816	1.1
305.15121	1.5
307.13266	2.7
311.16376	1.0
315.08478	0.8
315.16071	4.4
321.14847	15.2
323.12891	0.9
323.16412	2.9
325.14310	4.9
331.13156	5.5
339.15891	22.4
339.20044	1.1
343.15359	1.4
349.14319	18.4
351.15811	1.5
353.13809	0.9
357.16840	2.2
367.15344	47.9
368.15701	1.9
377.13800	5.4
385.16391	17.9
386.16510	1.0
395.14862	12.7
403.17630	3.5
413.15851	7.8
415.21060	2.3
423.17957	2.7
431.17126	1.8
433.21915	0.8
441.19141	8.8
451.17401	3.3
459.20038	9.4
459.27219	2.0
469.18613	6.6
477.21152	1.9
477.28284	1.1
487.19568	11.3
505.13220	1.5
505.20642	25.8
506.20947	1.2
523.21619	17.7
541.25873	1.9
559.26617	1.3
569.25214	1.0
605.28839	0.9
607.32111	1.5
615.29047	1.4
625.33203	1.5
633.30615	4.6
651.31561	8.9
661.29919	2.1
669.32159	2.6
679.30743	7.0
697.32025	22.1
698.31940	2.1
715.33179	43.2
716.33087	2.6
933.82904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.34
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16050	0.7
70.16378	0.7
76.10810	0.4
89.03933	0.4
91.05472	0.4
98.22898	0.7
103.05464	0.5
105.07031	0.6
127.81855	0.4
131.04971	0.4
133.06499	0.4
145.02881	1.0
147.04419	0.6
159.04153	0.5
161.06062	0.6
171.04279	0.4
172.04926	4.8
175.03745	1.3
175.76358	0.3
177.05492	1.6
179.72688	0.4
185.05731	2.3
189.05199	11.5
193.08734	0.8
216.03984	3.8
216.07483	4.2
229.08505	0.4
365.10086	0.5
379.11533	0.7
380.12540	1.1
406.13956	0.6
407.14658	1.3
413.15726	2.5
533.30011	0.4
666.64478	0.4
751.22614	0.5
766.25958	3.1
767.26312	0.7
963.33923	100.0
964.34198	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	963.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96101	0.5
70.12513	1.2
72.46867	0.5
98.22809	0.8
105.04601	0.5
105.07058	0.8
130.91608	0.5
133.06505	1.0
135.83690	0.5
145.02899	1.3
147.04420	0.7
149.05997	0.6
159.04263	0.9
161.05997	0.5
162.55733	0.5
169.02606	0.6
172.04948	6.4
175.03769	1.4
177.05569	1.8
185.05827	2.3
189.05215	13.4
193.08566	0.8
201.05281	0.9
216.03917	4.2
216.07503	4.4
379.11734	1.0
380.12366	1.1
406.14005	1.1
407.14767	1.4
413.15906	2.8
572.07227	0.6
655.63605	0.6
766.26141	4.3
767.26843	0.9
780.26367	0.7
963.33960	100.0
964.34137	5.2
971.32507	0.6
991.93597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05157	5.4
67.05499	75.6
69.03424	12.0
69.07064	33.8
69.79226	2.6
71.04995	7.1
71.08623	36.6
71.58885	2.6
77.03954	3.4
79.05485	52.2
81.03412	17.6
81.07049	93.5
83.04991	10.2
83.08611	24.0
85.02894	20.5
85.10178	24.1
89.06068	4.3
91.03947	6.9
91.05466	41.4
93.07032	60.3
95.04961	14.2
95.08591	60.8
97.02900	10.3
97.06536	14.7
97.10173	13.5
99.24413	2.8
103.52498	2.8
103.97918	2.8
105.04533	3.9
105.07016	35.2
107.04944	12.0
107.08588	33.6
109.02847	3.7
109.10143	25.2
111.08057	3.9
117.07009	18.2
119.08566	22.6
121.06485	3.0
121.10125	15.5
121.67332	2.8
123.08073	4.5
123.11722	8.5
125.09585	3.0
127.03921	7.3
129.07014	8.6
131.08542	19.0
133.10117	23.2
133.89920	2.9
135.08061	6.5
135.11720	11.4
143.08578	3.8
145.10107	21.5
147.11681	10.1
149.09648	13.3
149.13261	11.6
151.11189	3.8
157.10104	4.4
159.11702	12.4
163.05988	4.6
163.11134	7.1
169.10133	3.7
173.04535	3.3
173.13220	4.5
175.14842	3.0
183.11668	3.9
195.13713	4.0
227.12782	8.4
229.14301	3.8
229.19604	3.4
239.23587	5.1
255.15883	15.4
257.19003	7.2
269.17459	30.9
275.20084	27.5
293.21136	3.6
313.27362	100.0
349.23709	29.2
367.24835	3.7
450.75308	3.7
467.37378	4.6
472.36804	3.0
493.38806	21.3
507.40396	90.2
547.43268	8.0
587.46643	41.6
605.47839	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85503	3.6
72.28141	1.2
81.75857	1.2
83.24717	1.2
117.94430	1.3
210.01985	1.6
210.64047	1.3
225.04872	1.2
235.59030	1.3
237.00928	1.6
249.00565	1.7
269.03296	2.6
282.73532	1.3
287.04431	2.7
295.05008	1.7
302.74741	1.5
313.06125	1.5
330.19595	1.4
358.68198	1.4
530.12280	3.3
545.14807	1.8
741.21967	2.1
935.26422	2.3
965.29889	100.0
966.30609	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	968.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	100.0
69.03416	16.4
69.07060	47.1
69.07436	2.0
71.01351	3.0
71.04980	8.9
73.02905	9.2
74.05994	1.8
77.03906	3.5
79.05486	76.0
81.02953	3.7
81.03410	44.4
81.07048	86.2
82.04182	3.7
82.61755	1.7
83.04973	24.6
83.08607	25.2
85.02900	24.2
85.06537	5.6
91.03944	8.7
91.05473	80.2
93.07036	69.4
94.07793	2.1
94.76532	1.9
95.04961	36.5
95.08600	38.7
97.02888	19.9
97.06527	25.2
97.10150	21.0
98.07301	6.2
99.04446	2.5
99.08071	3.9
99.97327	2.0
103.05462	3.1
105.04534	4.3
105.07021	50.4
107.04946	19.5
107.07930	2.6
107.08591	31.9
109.02893	4.8
109.06483	10.8
109.10145	61.2
109.10886	3.2
111.04443	6.7
111.08056	11.4
115.05454	2.8
116.04716	9.7
117.07009	17.8
119.08571	41.5
121.06490	9.0
121.10127	21.2
123.08049	13.4
123.11704	4.7
125.09612	21.5
127.03900	7.5
127.11181	2.9
128.06168	3.2
129.05479	27.9
129.06967	13.7
131.08553	30.5
133.06479	5.4
133.10117	35.3
135.08020	7.6
135.11684	18.4
137.09619	18.5
139.11163	3.5
141.06998	3.4
143.07028	6.0
143.08566	6.6
143.10739	2.4
145.04941	3.9
145.06483	2.0
145.10136	21.1
147.07990	3.6
147.11673	19.8
149.09598	23.9
149.13217	4.4
151.11166	8.4
153.09122	2.9
153.12726	2.5
155.10622	5.9
157.08588	12.3
157.09958	13.8
158.05734	3.1
159.11681	11.5
161.09621	4.5
161.13272	4.7
163.06123	2.8
163.11179	21.7
165.09088	4.4
165.12767	3.0
171.06532	2.6
171.10165	6.3
171.11609	3.8
173.11714	19.8
173.13234	4.8
175.11151	13.0
177.12679	3.3
179.14319	4.1
181.12207	4.6
183.11719	2.1
185.11787	3.2
185.13248	3.7
187.14954	2.1
189.11166	6.5
189.12730	3.1
191.10716	2.5
193.12228	15.1
195.13734	4.2
199.13304	11.8
201.14680	2.8
209.11670	10.3
211.13260	16.5
214.62363	2.1
223.13216	4.0
227.12709	13.5
229.14290	29.9
239.18054	3.2
243.15942	5.5
245.18933	2.0
251.36925	2.2
253.14418	5.4
255.15854	9.6
257.18985	8.3
267.15887	18.5
269.17416	3.9
273.18466	7.9
275.20050	32.0
283.15424	8.9
283.18430	2.1
284.15695	2.5
285.17020	9.9
291.19385	11.9
293.21399	2.5
293.77921	2.0
295.18958	2.6
301.16434	51.3
331.37811	1.9
349.23688	35.7
365.23273	3.2
397.22122	4.9
402.76291	2.1
421.25836	3.1
423.27481	2.2
439.26865	6.2
455.26498	11.7
457.24286	2.3
469.27899	2.9
479.29855	6.7
481.28040	2.1
509.72757	2.4
511.29071	2.9
541.35016	5.3
552.51355	2.0
557.34869	4.7
559.36053	5.3
575.27441	3.3
575.35724	36.2
591.34576	2.5
593.36597	8.4
609.36469	5.1
969.48285	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	968.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	100.0
68.15530	1.2
69.03426	8.6
69.07059	14.9
70.88001	1.2
71.01340	2.3
71.04984	7.9
71.42870	1.4
73.02898	4.5
77.26360	1.1
79.05486	47.5
81.03409	86.3
81.07049	54.9
83.01345	1.7
83.04969	28.5
83.08611	30.7
85.02400	2.7
85.02898	42.4
85.06530	5.3
87.04461	3.9
91.03970	6.5
91.05471	52.2
93.07037	29.1
95.04958	38.0
95.08596	20.7
97.02879	14.4
97.06511	8.0
97.09592	1.5
97.10163	16.4
99.04443	3.4
99.08076	2.9
103.03945	1.1
104.79247	1.4
105.04507	3.6
105.05423	1.3
105.07017	31.8
107.04955	13.4
107.08579	18.3
109.06511	4.4
109.10141	68.4
111.04418	5.3
111.08067	12.8
113.05983	2.9
115.05435	3.3
117.07014	4.3
119.04923	1.5
119.08562	28.9
121.06483	3.8
121.10140	11.7
123.08048	4.2
123.11725	2.4
125.05970	2.0
125.09650	13.5
127.03913	4.0
128.06168	1.5
129.05461	3.9
129.06987	13.3
129.21935	1.2
129.29639	1.3
131.08554	15.3
133.06468	4.1
133.10100	15.5
135.07961	1.4
135.11639	5.5
137.09608	7.0
142.07755	3.5
143.10634	2.4
145.04947	3.4
145.10092	7.5
147.08026	4.9
147.11658	18.9
149.09624	9.8
151.11230	1.4
153.12732	2.3
155.10654	3.6
157.10136	17.0
163.06013	1.8
163.11179	10.8
165.12776	4.7
173.09563	2.3
173.10213	1.5
173.11728	21.6
173.13132	0.8
175.11166	21.6
181.12173	2.0
191.10632	4.4
193.12212	62.2
199.13245	6.7
204.76665	1.5
209.11674	7.0
211.13258	71.6
217.14433	1.6
227.12769	10.6
229.14308	55.0
257.13785	1.9
265.14313	2.3
267.15878	34.3
283.15314	9.7
285.16922	58.2
301.16431	15.2
305.76648	1.3
313.16425	1.4
367.23105	1.3
399.23709	20.7
403.24734	1.3
409.25784	3.9
421.25861	17.9
427.26733	4.0
439.26868	58.7
440.26526	1.7
475.26880	3.9
477.28076	1.6
493.27780	11.0
494.28708	2.5
511.29068	14.0
529.29718	3.0
558.34570	1.5
559.35925	1.7
591.34863	3.5
609.36285	64.8
733.51996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	87.6
69.03418	8.8
69.07068	11.5
71.01345	2.5
71.04990	7.5
71.17872	1.4
73.02894	3.8
79.05042	2.4
79.05488	41.3
81.03407	79.6
81.07046	48.9
83.04968	25.2
83.08610	31.7
85.02401	2.7
85.02895	43.3
85.06524	3.4
87.04443	2.7
91.03936	6.5
91.05469	49.7
93.07038	26.9
94.41722	1.5
95.04955	38.8
95.08589	19.7
97.02884	12.6
97.06516	8.1
97.10157	15.6
99.04440	1.9
99.08039	2.2
103.03916	1.5
105.04506	2.0
105.07018	30.2
107.04945	12.9
107.08582	16.0
109.02862	1.8
109.06499	7.5
109.10145	52.5
111.04427	4.6
111.08072	12.7
113.05991	3.0
115.05474	2.2
117.07001	4.8
119.08564	28.0
120.22404	1.2
121.06494	4.6
121.10126	11.9
123.04406	1.9
123.08034	4.4
123.11694	2.3
125.09601	12.4
125.33276	1.3
127.03945	3.0
129.05513	3.0
129.07010	13.8
131.08548	14.7
133.06441	4.1
133.10110	18.9
135.08067	2.6
135.11649	4.6
137.09595	5.8
142.07794	4.0
143.10669	2.1
145.04915	2.1
145.10101	7.4
147.08011	4.6
147.11652	16.7
149.09561	9.1
153.12697	3.6
155.10640	2.5
157.10109	17.3
163.06023	3.1
163.11140	10.0
165.12727	3.5
171.11638	1.4
173.04410	2.2
173.09557	2.0
173.10194	1.5
173.11703	16.7
175.11179	17.0
181.12238	3.0
191.10643	3.7
193.12233	62.9
194.26219	1.3
199.13179	6.8
209.11736	6.4
211.13263	100.0
227.12749	8.0
229.14320	43.0
229.16615	1.5
249.14917	2.2
251.65698	1.3
265.14261	1.6
267.15875	35.7
283.15375	6.4
284.15826	3.4
285.16928	72.3
301.16415	13.7
383.22394	1.5
399.23697	11.3
401.23450	1.4
409.25760	3.0
421.25708	13.9
427.26663	5.2
439.26874	56.5
440.26938	1.6
475.27014	2.0
477.28366	1.8
493.27908	7.1
494.29340	1.4
511.28931	14.0
529.29602	4.3
583.31879	1.6
591.35315	1.7
609.36298	57.9
610.36285	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	57.3
69.03429	9.2
69.07062	24.7
71.01350	1.3
71.04990	8.7
71.41904	1.2
71.84631	1.2
73.02924	2.1
77.03931	1.4
79.05486	53.3
79.05949	2.6
79.33942	1.4
81.03410	78.2
81.07051	65.1
83.01355	1.6
83.04972	13.1
83.08617	30.5
85.02882	9.6
85.06540	3.6
91.03954	3.0
91.05471	48.5
93.07036	49.0
95.04960	32.7
95.05532	2.4
95.08603	26.4
97.02880	8.3
97.06527	13.6
97.10171	15.6
99.04423	1.9
99.08077	3.1
105.04500	3.9
105.07021	40.1
105.07738	2.2
107.04949	14.0
107.08583	31.9
109.02887	3.2
109.06518	9.4
109.10139	16.3
111.04447	3.5
111.08090	9.5
113.06052	1.7
115.05428	3.7
117.07009	15.8
119.04944	1.7
119.08575	32.4
121.06503	8.6
121.10137	16.3
123.04421	3.1
123.08036	7.1
123.11715	3.9
125.06048	1.4
125.09628	12.9
126.05751	1.3
127.03916	2.9
128.06210	1.7
129.05537	1.5
129.06984	17.3
131.04980	2.2
131.08549	26.9
133.06522	3.6
133.10107	22.3
133.11031	2.0
135.08049	7.0
135.11676	14.7
137.09602	6.8
141.06995	3.0
142.07799	3.5
143.08534	7.4
145.05011	1.6
145.06520	4.3
145.10112	16.8
147.07988	8.0
147.11668	18.1
149.09584	11.7
149.13245	7.3
151.11182	2.4
153.09117	2.2
155.08571	4.5
157.10118	13.5
159.08075	3.2
159.11685	10.4
161.09644	4.6
161.13199	3.1
163.05962	1.5
163.11137	10.7
165.12752	3.6
167.08531	1.8
169.10188	4.6
171.10249	1.7
171.11696	5.0
173.04520	2.5
173.09633	3.2
173.11839	1.4
173.13249	4.7
175.11153	9.0
177.12750	4.8
180.09116	1.2
181.10143	1.7
181.12181	2.8
183.11693	4.1
185.09557	1.6
185.13162	6.1
187.11142	3.9
187.14845	2.6
187.92848	1.3
189.11232	4.2
193.12206	20.8
195.11711	1.9
195.13841	2.8
197.13306	2.7
201.12746	1.7
203.14394	1.3
205.12291	1.8
211.11272	2.1
211.13261	5.0
215.14357	1.6
217.15981	1.5
223.13229	1.7
225.15007	2.3
227.12714	11.9
229.14372	5.4
231.13878	1.9
235.13203	2.3
245.13818	1.6
247.20609	2.1
249.14931	3.6
255.13750	1.6
255.15971	12.1
257.19101	3.6
267.15891	71.3
269.17435	19.4
273.14981	2.6
273.18579	3.1
275.20096	16.3
285.17075	3.6
291.16595	1.4
291.19388	6.5
293.21149	2.9
297.22049	2.2
301.16788	2.7
309.17029	2.1
315.18314	1.4
349.23727	21.8
351.22995	2.6
365.22928	1.4
367.24658	5.0
369.24197	4.2
385.23654	1.4
387.25464	1.9
405.25809	1.8
421.25775	7.2
435.27353	2.3
443.27960	8.4
447.27420	25.4
449.30023	2.3
459.27344	3.5
461.28918	100.0
462.28888	1.5
467.31989	2.0
475.08603	1.3
477.28119	3.0
479.29813	2.2
485.32281	3.1
493.31674	11.6
501.31982	4.5
503.29800	2.5
511.28845	1.9
519.32526	1.8
523.33832	5.2
527.29468	1.8
541.35193	64.1
542.35486	1.8
559.36243	27.9
562.69904	1.3
569.30396	2.8
573.37042	2.4
587.32123	3.2
591.37354	2.9
605.32855	2.6
607.35840	1.9
609.35608	2.0
649.37091	2.2
667.38763	2.9
693.26642	1.4
703.39948	3.0
778.47632	1.4
835.56647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99763	0.6
69.03424	3.2
69.78493	1.7
73.02863	0.6
81.03408	4.0
83.01336	6.3
85.02853	2.1
95.01303	0.8
97.02853	1.8
98.22636	0.6
99.04417	1.1
103.05432	1.2
109.02874	2.8
111.00766	1.5
114.46217	0.5
116.84847	0.5
123.00749	2.0
127.03860	1.5
131.04837	1.0
139.00249	8.3
147.04366	2.2
153.01799	2.3
157.01361	1.1
157.02818	2.3
159.04475	1.0
169.01317	2.2
171.04437	2.7
173.02347	0.8
175.03854	2.9
177.01779	0.6
185.00778	6.9
185.02338	1.9
186.01604	1.2
187.03864	6.4
189.01894	0.9
191.03333	1.2
195.04416	0.6
199.03879	1.7
201.01820	1.7
202.02594	0.8
203.03362	5.3
204.04163	0.8
205.01320	0.8
213.01820	5.1
213.05479	0.8
215.03374	8.0
219.02811	0.8
223.03827	0.6
229.01321	2.8
229.05034	0.7
231.02867	27.4
232.03535	0.9
239.03372	0.6
241.01369	4.8
241.04944	1.6
243.02882	3.4
245.00723	0.8
247.02364	3.9
251.03317	0.7
257.00803	4.6
257.03534	0.6
259.02368	43.1
260.03137	7.8
261.03940	20.0
267.03012	1.1
269.04401	2.0
271.02112	0.6
273.00235	1.8
275.01779	5.4
276.02594	1.5
277.03409	100.0
278.03726	2.0
279.02890	1.5
281.04489	0.8
285.00278	3.5
285.03882	1.4
286.01044	1.8
287.01828	8.9
287.04929	0.9
289.03448	1.1
291.01309	0.8
295.02130	0.7
297.03903	4.1
299.01965	0.6
300.99820	1.9
301.03137	0.6
302.00635	2.7
303.01328	35.7
304.01871	0.8
305.00684	0.9
307.02325	0.8
309.03946	0.9
312.99701	1.6
313.03464	3.4
315.01251	1.8
315.04865	1.1
321.02414	2.3
323.01932	4.3
325.03397	2.5
328.99249	5.3
329.02884	0.9
335.01904	1.5
337.03406	1.6
341.03046	2.4
343.04544	1.6
351.01315	2.1
353.03003	4.4
363.01089	1.2
367.04819	0.7
369.02322	4.1
371.03964	2.0
379.00751	5.3
381.02313	5.0
385.05688	1.4
387.03598	1.2
397.01929	5.8
399.03305	1.2
407.00336	7.1
409.02023	2.1
411.03662	1.2
425.01447	2.5
426.02435	1.1
427.02954	64.2
428.03360	1.5
429.04468	1.7
434.99796	4.8
444.03113	1.1
445.03967	12.9
447.05710	1.1
453.00867	93.6
454.01151	2.1
465.06683	2.3
471.01932	49.4
472.02094	0.7
489.03018	1.0
513.03070	0.7
597.04980	4.1
615.06183	14.3
633.06940	5.4
917.06445	0.8
935.07440	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99769	0.8
69.03439	0.7
70.04369	1.7
83.01329	2.6
85.02885	0.8
87.28339	0.7
87.69592	0.8
111.00797	1.5
115.05425	1.4
123.00749	0.9
128.62968	0.7
130.65262	0.8
139.00233	3.4
153.01817	3.1
157.01349	0.8
159.04393	0.8
171.04468	3.8
173.02238	0.7
175.03897	0.9
185.00795	2.5
185.02290	0.8
187.03859	3.6
199.03818	4.5
201.01895	0.8
203.03441	2.1
205.04890	0.9
209.02261	1.1
211.03844	1.7
213.05472	1.5
215.03352	5.7
217.04918	1.7
223.03966	0.9
225.05452	0.8
227.03342	4.6
229.01236	1.4
229.05005	0.9
231.02899	3.7
239.03448	1.3
241.04924	1.7
243.02840	5.9
245.04474	2.4
247.02332	2.7
255.02759	6.0
257.00906	1.0
257.04425	1.3
259.02292	6.0
260.03104	3.0
261.03894	7.6
267.02817	1.1
269.04385	4.1
271.02316	7.3
273.00760	1.2
273.03839	7.4
275.01898	2.4
277.03372	4.9
283.02298	4.2
285.04016	1.5
286.00952	1.0
287.01819	3.2
287.05246	1.2
289.03400	9.1
295.02518	1.2
297.03983	4.6
299.01788	20.1
299.05167	1.0
301.00061	1.2
301.03351	19.1
302.00620	1.2
303.01300	12.8
303.04584	1.1
305.02866	2.1
309.04010	1.0
313.00211	1.2
313.03128	4.1
315.01279	4.4
315.04932	2.6
317.02802	4.7
321.02551	1.1
323.01804	1.8
325.03311	2.0
327.01340	7.7
327.04678	1.0
328.99228	3.1
329.02719	1.4
337.03622	0.9
339.01245	1.2
339.04907	0.9
341.02896	3.0
343.04413	3.4
345.02365	100.0
346.02765	2.3
351.01306	1.5
353.02933	3.4
355.04535	1.9
363.03461	1.0
367.04361	0.9
369.02295	6.0
371.03873	1.3
373.05408	0.9
379.00873	2.4
381.02417	3.2
385.05478	1.6
393.02325	0.9
397.01904	4.9
399.03342	1.8
407.00443	3.4
409.02130	0.8
411.03287	1.9
425.01031	0.9
427.02890	28.8
429.04608	1.7
434.99701	2.0
445.04105	3.0
447.05490	5.1
453.00830	63.6
454.01126	2.4
465.06586	2.5
471.01895	24.6
509.40591	1.0
555.38477	0.8
573.05005	10.3
917.07239	1.5
935.07617	1.2
992.85870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39534	0.1
68.99762	0.2
69.03416	1.7
69.50891	0.5
71.01342	0.2
71.04948	0.2
71.53586	0.1
79.01840	6.4
81.03400	4.4
85.02882	0.9
91.05454	0.6
97.02878	2.0
99.04427	0.7
101.02376	0.1
103.05470	0.8
103.06078	0.1
106.70692	0.1
107.01297	1.5
109.02859	2.8
119.04951	0.6
123.00793	0.4
125.02331	3.5
125.03210	0.2
127.03888	3.4
129.03366	0.4
131.04890	0.7
139.03951	0.1
143.03372	7.5
145.02817	0.2
145.04939	0.3
147.04364	1.1
153.01797	85.3
153.02864	5.4
154.02084	0.8
157.02837	1.3
159.04387	0.3
161.02199	0.1
163.03908	0.4
171.02849	1.5
173.02240	0.6
175.03865	2.1
179.03395	0.1
181.01228	0.2
185.02299	1.7
187.03860	4.9
191.03395	0.5
195.02919	0.1
201.01805	1.5
201.03563	0.2
203.03333	3.6
207.02892	0.2
213.01788	4.2
213.03424	0.2
215.03331	4.5
217.01160	0.1
219.02931	0.3
225.03914	0.1
229.01286	1.5
230.01920	0.2
231.02837	21.1
232.03235	0.4
233.00722	0.1
233.04449	0.3
237.03882	0.1
241.01262	3.6
247.02338	2.0
257.00793	2.6
259.02328	35.8
260.02670	0.6
261.03915	0.3
275.01819	3.8
276.02612	1.3
277.03369	100.0
278.03683	1.6
279.04782	0.4
285.00275	2.0
287.01892	0.1
289.03339	0.2
297.06018	2.4
299.01819	0.1
301.03555	0.2
302.00577	0.2
303.01291	23.8
304.01666	0.5
315.07053	5.7
315.48322	0.1
321.02319	2.4
345.02344	0.4
357.05878	0.1
363.03650	0.1
385.05405	0.3
411.03525	0.1
429.04129	0.2
447.05289	0.4
455.02612	0.2
465.06641	1.8
611.12952	0.2
617.07556	2.8
635.08630	1.3
664.13458	0.1
937.09363	2.1
955.11084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.8
70.29691	0.3
71.04978	0.3
75.02390	0.1
79.01843	4.8
81.03410	3.7
84.87312	0.1
85.02894	1.4
91.05484	0.4
97.02885	1.9
98.23075	0.3
99.04453	0.6
103.05448	0.5
107.01305	1.2
109.02861	2.3
119.04920	0.4
123.00756	0.4
125.02329	2.6
127.03899	3.9
129.03380	0.3
131.04924	0.4
143.03381	5.7
145.04936	0.3
147.04366	0.9
153.01810	73.1
153.02885	4.3
154.02150	0.8
157.02823	0.9
159.04417	0.3
163.03975	0.3
171.02879	1.7
172.53568	0.2
173.02318	0.4
175.03894	1.7
181.01276	0.2
185.02347	1.1
187.03891	3.6
187.05559	0.2
188.04286	0.2
191.03391	0.4
195.02710	0.2
201.01833	0.9
201.46080	0.1
202.02623	0.2
203.03366	2.5
207.02994	0.2
210.94559	0.1
213.01817	3.3
215.03366	3.2
219.02873	0.3
229.01385	0.9
230.01834	0.2
231.02852	16.0
232.03169	0.2
241.01285	2.5
247.02347	1.2
255.04709	0.2
257.00812	2.1
258.01370	0.2
259.02353	29.0
260.02777	0.7
261.04120	0.2
275.01855	2.3
276.02618	0.7
277.03391	100.0
278.03738	1.4
279.05096	0.3
285.00256	1.7
289.03348	0.3
297.06079	2.4
303.01315	22.5
304.01547	0.6
315.07056	6.6
321.02368	2.5
345.02402	0.4
357.05908	0.2
363.03177	0.2
385.05643	0.4
447.05472	0.4
465.06592	1.7
595.18994	0.2
617.07629	2.8
618.08319	0.2
623.63263	0.2
635.08734	1.2
937.09039	0.7
955.09894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06395	4.0
86.84634	0.6
134.01941	0.5
150.21959	0.6
150.60661	0.5
161.06113	0.7
163.04965	0.5
172.04939	3.1
175.03799	2.0
177.05443	1.0
196.40370	0.6
204.04045	1.5
205.04713	27.9
215.06691	0.6
216.03862	2.8
217.04767	0.7
232.07104	3.9
406.14117	1.2
407.14825	1.1
429.15256	4.0
482.42169	0.6
782.25623	0.6
863.32977	0.6
979.33490	100.0
980.33783	6.5
983.35162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.63
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02174	2.9
69.07063	17.7
71.05000	3.5
71.08630	20.6
72.26569	2.8
79.05488	32.6
81.03423	4.2
81.07052	49.5
83.04964	3.3
83.08626	21.2
85.02897	6.6
85.10169	13.1
91.03925	5.5
91.05472	21.5
92.47463	2.9
93.07034	26.0
95.04971	6.2
95.08598	33.6
97.02919	3.3
97.06531	6.7
97.10142	13.2
105.07020	18.5
107.04940	5.7
107.08569	20.2
109.06525	4.1
109.10145	40.3
117.07008	5.8
119.08587	14.8
121.10149	9.3
123.11689	6.3
124.54174	3.2
125.09639	6.3
127.27486	2.7
129.07050	3.2
131.08563	7.0
133.10123	13.8
135.11716	3.8
145.10149	10.0
147.11621	5.0
149.09657	6.4
149.13283	5.7
151.95309	2.7
155.10616	4.1
157.10114	4.5
159.11649	6.8
173.11790	9.9
177.12767	3.0
195.13748	4.2
227.12794	9.4
229.14319	44.4
257.18994	6.7
257.24896	2.7
269.17429	23.5
275.20041	24.3
293.21054	5.5
313.27335	100.0
343.90274	3.1
349.23746	23.8
367.24887	17.7
409.27997	3.3
467.37201	34.6
507.40433	56.9
587.46698	47.4
605.47742	29.9
832.65759	3.2
927.63440	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	984.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.0
71.01324	0.5
71.04993	0.6
73.02911	0.6
79.01848	8.5
81.03401	4.8
83.01337	4.1
85.02894	2.1
91.05462	0.6
95.01331	0.7
97.02886	2.6
99.04442	0.8
103.05476	0.7
107.01294	1.6
109.02876	2.6
111.00781	1.5
119.04928	0.7
123.00788	1.5
125.02340	3.9
127.03912	4.0
129.03401	0.5
131.04903	1.1
139.00253	4.5
141.05455	0.9
143.03377	9.8
147.04388	1.4
153.01816	100.0
153.02907	6.7
154.02176	0.9
155.04898	0.4
157.01340	0.8
157.02838	1.2
163.03885	0.7
169.01315	1.6
171.04369	0.7
173.02243	0.8
175.03827	2.2
175.25444	0.4
177.01866	0.5
183.04491	0.4
185.00795	4.7
185.02310	1.2
186.01518	0.7
187.03857	5.4
189.01750	0.9
191.03427	0.9
198.18372	0.5
199.03903	0.7
201.01863	2.2
201.03670	0.6
202.02780	0.6
202.61823	0.4
203.03368	4.3
203.83488	0.4
205.01347	1.1
213.01784	4.3
215.03383	4.7
217.01300	0.9
219.02853	1.7
223.04044	0.6
229.01346	2.9
230.02084	0.6
231.02864	20.4
232.03265	0.6
241.01347	4.4
241.03613	0.5
241.04817	0.8
243.02838	1.9
245.00757	0.7
247.02365	3.5
248.83287	0.5
251.03317	0.7
253.05019	0.7
257.00800	4.3
257.03571	0.5
257.04245	0.4
259.02359	31.9
260.02890	2.1
261.03900	6.7
267.02951	1.6
269.04379	1.7
273.00342	1.0
273.03879	0.9
275.01846	5.8
276.02591	4.4
277.03403	80.1
278.03751	1.2
279.02744	1.1
281.04346	0.7
283.02350	0.7
285.00262	3.3
285.03903	1.4
286.00964	1.1
287.01846	5.9
289.03333	0.8
291.04941	2.0
295.02341	1.2
297.03864	3.5
299.01819	0.8
300.99780	0.9
302.00446	1.5
303.01312	43.3
307.02359	1.0
309.03870	0.6
311.01788	0.5
312.99719	1.3
313.03403	2.2
315.01392	1.9
321.02298	2.3
323.01868	3.8
325.03403	1.7
328.99246	3.0
333.02652	0.5
335.04001	1.8
337.03339	1.3
339.04962	0.5
341.02911	1.9
343.04541	0.9
351.01224	2.1
353.02859	2.5
363.01318	1.2
365.02643	0.5
369.02271	3.0
371.03867	1.5
375.03384	2.5
379.00729	3.4
381.02390	4.3
385.05579	0.7
387.03552	0.9
397.01746	3.9
399.03296	1.4
407.00320	4.7
409.01819	1.3
425.01526	2.0
426.01987	1.5
427.02927	37.3
428.03479	0.8
429.04416	1.0
434.99854	2.6
441.04373	0.9
447.05460	1.0
453.00848	78.4
454.01163	1.4
459.05643	4.0
465.06644	1.9
471.01834	4.0
477.06619	0.7
485.03476	17.2
486.03568	0.6
495.07559	1.7
597.04938	1.1
615.06171	3.8
629.07037	0.9
647.08881	2.7
842.11188	0.5
967.10278	5.6
980.16443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.0
71.01324	0.5
71.04993	0.6
73.02911	0.6
79.01848	8.5
81.03401	4.8
83.01337	4.1
85.02894	2.1
91.05462	0.6
95.01331	0.7
97.02886	2.6
99.04442	0.8
103.05476	0.7
107.01294	1.6
109.02876	2.6
111.00781	1.5
119.04928	0.7
123.00788	1.5
125.02340	3.9
127.03912	4.0
129.03401	0.5
131.04903	1.1
139.00253	4.5
141.05455	0.9
143.03377	9.8
147.04388	1.4
153.01816	100.0
153.02907	6.7
154.02176	0.9
155.04898	0.4
157.01340	0.8
157.02838	1.2
163.03885	0.7
169.01315	1.6
171.04369	0.7
173.02243	0.8
175.03827	2.2
175.25444	0.4
177.01866	0.5
183.04491	0.4
185.00795	4.7
185.02310	1.2
186.01518	0.7
187.03857	5.4
189.01750	0.9
191.03427	0.9
198.18372	0.5
199.03903	0.7
201.01863	2.2
201.03670	0.6
202.02780	0.6
202.61823	0.4
203.03368	4.3
203.83488	0.4
205.01347	1.1
213.01784	4.3
215.03383	4.7
217.01300	0.9
219.02853	1.7
223.04044	0.6
229.01346	2.9
230.02084	0.6
231.02864	20.4
232.03265	0.6
241.01347	4.4
241.03613	0.5
241.04817	0.8
243.02838	1.9
245.00757	0.7
247.02365	3.5
248.83287	0.5
251.03317	0.7
253.05019	0.7
257.00800	4.3
257.03571	0.5
257.04245	0.4
259.02359	31.9
260.02890	2.1
261.03900	6.7
267.02951	1.6
269.04379	1.7
273.00342	1.0
273.03879	0.9
275.01846	5.8
276.02591	4.4
277.03403	80.1
278.03751	1.2
279.02744	1.1
281.04346	0.7
283.02350	0.7
285.00262	3.3
285.03903	1.4
286.00964	1.1
287.01846	5.9
289.03333	0.8
291.04941	2.0
295.02341	1.2
297.03864	3.5
299.01819	0.8
300.99780	0.9
302.00446	1.5
303.01312	43.3
307.02359	1.0
309.03870	0.6
311.01788	0.5
312.99719	1.3
313.03403	2.2
315.01392	1.9
321.02298	2.3
323.01868	3.8
325.03403	1.7
328.99246	3.0
333.02652	0.5
335.04001	1.8
337.03339	1.3
339.04962	0.5
341.02911	1.9
343.04541	0.9
351.01224	2.1
353.02859	2.5
363.01318	1.2
365.02643	0.5
369.02271	3.0
371.03867	1.5
375.03384	2.5
379.00729	3.4
381.02390	4.3
385.05579	0.7
387.03552	0.9
397.01746	3.9
399.03296	1.4
407.00320	4.7
409.01819	1.3
425.01526	2.0
426.01987	1.5
427.02927	37.3
428.03479	0.8
429.04416	1.0
434.99854	2.6
441.04373	0.9
447.05460	1.0
453.00848	78.4
454.01163	1.4
459.05643	4.0
465.06644	1.9
471.01834	4.0
477.06619	0.7
485.03476	17.2
486.03568	0.6
495.07559	1.7
597.04938	1.1
615.06171	3.8
629.07037	0.9
647.08881	2.7
842.11188	0.5
967.10278	5.6
980.16443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.1
69.03434	0.6
70.58315	0.2
79.01844	8.1
81.03405	0.9
83.01326	0.2
85.02897	0.2
90.48173	0.1
91.05485	0.3
95.01299	0.2
97.02876	2.1
98.23389	0.1
99.04427	0.1
103.05453	0.3
107.01310	2.0
109.02861	0.3
110.12570	0.1
119.04920	0.2
123.00790	0.4
125.02338	4.4
127.03930	0.2
129.03342	0.2
131.04932	0.2
139.00302	0.2
143.03380	9.8
145.02832	0.2
147.04413	0.5
153.01807	100.0
153.02882	6.7
154.02107	0.6
157.02809	0.5
161.02327	0.2
163.03857	0.3
173.02267	0.3
175.03883	1.0
177.01778	0.3
179.03384	0.2
183.04413	0.1
185.00862	0.1
185.02303	0.5
187.03883	1.4
189.01768	0.2
191.03316	0.5
193.01251	0.1
197.05965	0.1
199.03877	0.2
201.01855	0.6
203.03358	2.2
205.01311	0.3
213.01782	1.3
213.05354	0.2
215.03362	1.6
217.01314	0.2
219.02896	0.5
223.02205	0.2
223.04070	0.2
225.05527	0.2
227.03360	0.1
229.01349	0.9
229.04871	0.2
230.01961	0.1
231.02844	6.8
233.04355	0.1
241.01282	1.3
241.04965	0.2
243.02824	0.3
245.00801	0.2
247.02303	1.1
251.03485	0.2
253.04999	0.3
255.02705	0.2
255.05077	0.2
257.00790	1.3
257.04376	0.4
259.02347	10.8
260.02820	0.3
261.03909	0.3
267.01215	0.2
269.01172	0.1
269.04382	0.5
271.02341	0.4
273.00217	0.2
273.03922	0.1
275.01813	1.5
276.02600	0.3
277.03391	20.8
278.03720	0.2
281.04428	0.3
283.02432	0.2
285.00241	1.2
285.03781	0.3
287.01822	0.7
287.05081	0.2
289.03265	0.2
291.01346	0.3
295.02283	0.2
297.03922	0.7
299.01663	0.2
299.05289	0.1
300.99750	0.3
301.03445	0.2
303.01312	7.4
307.02051	0.2
309.03836	0.4
311.01932	0.3
313.03314	0.4
315.01361	1.2
315.04706	0.2
317.02884	0.1
321.02408	0.5
323.01801	0.3
325.03342	0.6
327.01434	0.1
327.04865	0.2
328.99362	0.1
329.02945	0.1
336.99908	0.1
337.03323	0.6
339.04871	0.2
341.02942	0.2
343.04404	0.2
353.02655	0.4
355.04123	0.2
363.01126	0.1
365.02765	0.4
369.02408	0.2
371.04010	0.3
375.03406	2.0
379.00537	0.1
381.02155	0.4
383.03842	0.2
385.05719	0.1
391.02979	0.2
393.04398	0.2
397.01416	0.1
397.05936	0.1
399.03360	0.3
403.06653	0.1
407.00308	0.1
409.01633	0.2
413.04813	0.2
415.06442	0.3
417.04419	0.2
427.02875	1.1
429.04425	0.4
434.99612	0.2
441.04474	0.6
447.05331	0.2
453.00848	2.5
459.05389	0.9
471.02011	0.1
477.06589	1.1
485.03296	0.6
495.07578	1.1
504.37866	0.1
513.08337	0.1
615.05798	0.2
629.07574	1.0
647.08594	2.3
679.08173	0.1
967.10278	4.5
968.09863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47264	1.7
69.03414	9.4
69.07063	33.8
71.01356	2.4
71.04990	11.4
71.41869	2.0
71.47413	1.6
73.02917	2.5
76.77464	1.9
79.05487	69.5
81.03407	98.6
81.07047	67.8
83.04967	18.4
83.08614	33.4
85.02892	14.7
85.06532	7.6
87.04488	2.0
91.03923	4.4
91.05468	69.2
93.07040	53.4
93.68340	2.0
95.04958	50.5
95.08589	38.0
97.02879	11.0
97.06529	15.2
97.10157	16.0
99.08090	2.1
103.05479	2.8
105.04523	4.1
105.07015	50.0
107.04943	21.2
107.08581	33.7
109.02870	2.6
109.06494	11.0
109.10144	50.5
109.49199	1.9
111.04430	7.4
111.08071	12.8
115.05424	3.9
117.07011	17.2
119.08568	43.6
120.05653	2.5
121.06497	7.3
121.10139	24.1
123.04430	3.3
123.08060	11.3
123.11705	4.4
125.09633	13.1
127.03909	7.0
128.06226	5.0
129.05496	3.6
129.06975	17.9
130.81064	1.9
131.08553	25.1
132.17058	2.1
133.06473	7.5
133.10107	23.0
134.79588	2.2
135.08060	6.9
135.11685	13.6
137.09612	14.2
141.06947	2.8
142.07751	6.1
142.34546	2.0
143.08546	7.6
145.06473	5.3
145.10109	20.6
147.08014	8.3
147.11642	18.1
149.09634	21.8
149.13252	3.1
151.11195	3.7
153.09100	2.3
155.08502	4.1
155.10672	2.7
157.10107	13.4
159.08049	4.2
159.11694	10.8
161.09619	4.0
161.13171	2.7
163.11168	15.3
165.12746	4.0
167.08601	2.0
169.10161	3.8
171.08102	2.6
171.11681	5.6
173.09607	2.0
173.11728	15.3
173.13115	3.8
175.11197	12.2
177.12746	6.5
179.14294	3.4
181.12212	2.6
183.11653	3.8
185.13181	3.5
187.11147	4.2
189.11165	5.8
191.10616	5.1
193.12219	38.0
195.11636	2.1
195.13771	3.8
197.13408	3.0
199.13176	2.4
203.10602	2.7
205.12247	5.5
209.11546	2.8
211.11317	2.4
211.13289	7.1
222.80530	2.0
225.14745	3.5
227.12697	10.9
229.14317	52.9
241.14365	4.4
243.15962	5.2
247.16876	2.5
249.14882	6.5
253.14284	2.7
255.15916	6.4
257.18967	4.1
259.15460	2.7
267.15891	100.0
269.17505	6.0
273.14859	3.4
273.18332	4.8
275.20059	17.3
283.15439	5.6
291.19513	6.1
293.21265	2.4
301.14084	3.1
311.20010	2.4
315.18149	2.8
329.21051	6.6
337.21365	2.4
349.23730	20.1
355.22421	3.7
365.23041	4.4
373.23788	2.1
403.24673	8.2
409.25745	3.0
421.20380	3.3
421.25754	44.2
421.31351	2.5
423.27429	4.1
429.26407	2.7
435.27554	10.4
437.25256	3.3
445.29834	3.8
447.27362	34.1
459.27411	3.2
461.28958	6.2
463.26459	3.2
467.31241	4.4
489.28226	2.9
541.27264	3.9
541.35162	54.0
557.34332	5.8
559.36407	16.5
575.35181	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	984.5882
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	22.3
71.04994	1.7
77.03932	1.2
79.05482	36.3
79.05945	1.9
81.03407	5.0
81.07045	34.8
83.04966	5.1
83.08620	6.7
85.02898	1.5
85.06519	1.9
91.05470	51.9
93.07032	31.6
95.01311	6.1
95.04964	10.8
95.08592	26.2
97.06522	12.9
97.10168	3.4
102.37708	1.4
103.05463	3.1
105.04515	2.1
105.07021	71.4
107.04946	10.2
107.08581	14.4
109.06496	2.4
109.10136	7.3
111.08061	2.5
115.05417	1.9
117.07000	16.1
119.08575	39.8
121.06433	2.0
121.10133	7.7
123.08055	2.7
123.11728	1.8
125.09593	1.5
129.07002	6.2
131.08557	24.9
133.06419	1.4
133.10110	34.0
135.08040	2.5
135.11661	9.3
136.08240	1.4
136.48338	1.3
137.09651	1.5
143.08539	4.9
145.06432	2.2
145.10100	16.8
147.11679	19.8
149.09592	5.0
149.13235	4.8
155.08522	2.6
157.10129	5.0
159.11665	11.3
161.13243	10.0
163.11169	3.6
163.14835	1.6
165.09067	1.5
169.10115	3.6
171.11667	7.3
173.13251	5.4
175.14764	4.2
177.12695	3.2
179.14304	6.0
183.11772	1.9
185.13242	3.4
187.14836	2.2
197.13365	1.9
199.14828	2.1
219.17323	1.7
231.21011	2.1
241.19484	15.2
257.18970	6.3
259.20584	22.6
275.20029	43.1
277.21692	2.1
279.15936	1.6
293.21045	4.6
315.23108	6.9
333.24200	44.1
334.92551	1.6
349.23679	39.3
471.43958	1.6
513.35699	1.7
607.43469	100.0
608.43256	2.7
625.44391	14.7
759.90570	1.5
772.27258	1.4
984.53906	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	986.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.6
71.01330	0.3
71.04964	0.4
79.01843	6.5
81.02959	0.3
81.03405	5.5
85.02902	1.2
85.06561	0.3
91.05464	0.3
97.02875	2.4
99.04418	1.0
103.05435	0.8
107.01318	1.7
109.02866	3.9
111.04422	0.4
115.05497	0.3
119.04868	0.2
123.00740	0.5
125.02330	3.4
127.03899	6.4
127.04847	0.3
129.03331	0.3
131.04916	0.4
133.02846	0.3
137.34013	0.2
141.05453	1.1
143.03368	7.8
143.12894	0.2
145.02823	0.5
145.04872	0.3
146.03612	0.2
147.04376	0.9
152.09637	0.2
153.01804	100.0
153.02885	6.2
154.02097	1.1
157.02832	1.0
161.05843	0.2
163.03917	0.8
171.02861	1.8
171.04320	0.5
173.02303	0.7
174.03081	0.3
175.03902	1.4
181.01178	0.3
185.02290	1.4
187.03864	3.5
191.03355	1.3
195.02757	0.3
199.03870	0.6
201.01807	1.8
202.02565	0.7
203.03328	2.6
212.99947	0.3
213.01791	2.8
215.03322	2.7
219.02824	1.3
225.04004	0.3
227.03181	0.5
229.01334	2.1
230.02013	0.6
231.02841	15.6
232.03233	0.2
241.01247	2.8
243.02786	0.2
244.03275	0.2
245.04408	0.5
247.02327	2.9
255.05051	0.5
257.00809	3.0
258.01587	0.7
259.02341	27.0
260.02692	0.6
261.03818	0.6
273.03879	1.7
275.01831	4.8
275.06198	0.2
275.99503	0.3
276.02603	11.4
277.03381	85.9
278.03702	0.9
279.04852	0.5
285.00320	2.3
287.01843	0.3
289.03314	0.8
289.35962	0.2
291.01669	0.3
291.04956	4.4
297.06064	3.6
300.26889	0.2
302.00745	0.2
303.01303	40.6
304.01709	0.6
309.18616	0.2
312.99533	0.3
315.07077	6.3
317.02853	0.6
321.02341	2.4
328.99188	0.3
329.08817	0.3
335.03900	6.1
345.02377	0.6
355.04333	0.2
357.05957	0.4
367.04190	0.4
383.03912	0.5
385.05383	0.9
411.03415	0.7
429.04361	0.7
444.82324	0.3
447.05286	0.6
453.00998	0.4
461.06674	0.5
465.06714	1.4
599.06641	0.2
617.07562	4.1
631.08435	0.9
635.08484	1.1
649.09167	0.3
723.65503	0.2
767.06439	0.2
937.09625	2.2
951.10077	0.4
969.10797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	1.4
69.20757	0.3
71.04998	0.4
79.01389	0.4
79.01845	6.1
79.02283	0.4
81.03406	5.2
81.22858	0.3
85.02889	0.9
91.05500	0.2
97.02881	2.7
99.04444	1.0
103.05465	0.5
103.60992	0.3
107.01330	1.9
109.02866	4.1
111.04441	0.4
113.05988	0.6
115.05455	0.3
119.04945	0.3
125.02351	3.1
127.03905	6.8
131.04950	0.5
141.05394	1.4
143.03383	7.9
145.04927	0.3
147.04384	0.9
153.01813	100.0
153.02875	5.5
154.02148	1.1
157.02870	0.7
163.03899	0.7
171.02930	1.9
171.04245	0.5
173.02391	0.4
175.03867	1.5
185.02374	0.9
187.03871	2.7
191.03387	1.0
199.03815	0.3
201.01807	1.4
202.02647	0.3
203.03363	2.1
213.01826	2.8
215.03340	3.2
217.01349	0.3
219.02892	1.3
227.03444	0.4
229.01328	2.1
230.02084	0.5
231.02858	13.2
232.03209	0.3
241.01266	2.9
243.02731	0.3
245.04544	1.1
247.02371	2.4
255.04942	0.5
257.00821	2.8
258.01602	0.6
259.02359	26.4
260.02835	0.5
261.03864	0.6
273.03983	2.2
275.01828	5.5
276.02628	11.2
277.03400	84.2
278.03708	1.3
279.04785	0.7
285.00281	2.3
287.01987	0.4
289.03360	0.8
291.04968	5.0
295.25925	0.3
297.06094	3.8
303.01321	41.3
304.01532	0.5
315.07086	5.9
317.02856	0.6
321.02359	3.0
335.03925	5.3
339.05151	0.4
345.02475	0.4
357.05908	0.3
377.04926	0.3
383.04089	0.4
385.05496	0.9
411.03583	0.4
427.02856	0.4
429.04477	0.7
447.05426	0.8
453.00800	0.6
454.00943	0.6
465.06644	1.4
599.06976	0.3
617.07593	4.1
631.09204	1.4
635.08374	1.1
649.09583	0.4
767.06769	0.3
919.08392	0.3
937.08820	1.8
951.09448	0.6
969.11292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	10.8
69.07064	29.8
71.04990	5.0
73.02898	2.7
77.03910	2.8
79.05486	85.9
81.03415	16.3
81.07050	100.0
83.04978	9.9
83.08610	15.3
85.02892	15.7
85.06529	2.4
86.12043	1.5
91.03948	5.6
91.05476	60.5
93.07036	88.7
95.04958	17.5
95.08601	63.1
95.09206	3.7
97.02876	9.2
97.06523	13.9
97.10152	7.6
99.04421	3.4
99.08069	4.9
103.05448	2.6
105.03378	2.8
105.04505	4.7
105.07023	41.8
107.04940	4.3
107.08583	44.1
108.56665	1.6
109.06524	7.0
109.10158	25.5
110.33043	1.6
111.08076	6.0
117.07014	21.7
119.08563	30.5
121.06514	4.1
121.10139	30.4
123.08048	4.2
123.11688	5.9
125.09602	4.7
126.68488	1.6
127.03895	6.2
128.06239	2.3
129.05440	2.1
129.06981	7.1
131.08540	28.8
133.10120	26.9
135.08038	3.5
135.11682	20.0
137.09651	2.4
139.11160	2.0
140.25023	1.4
141.07050	2.4
142.07768	1.8
143.08545	6.4
144.09180	1.4
145.04964	2.1
145.10101	19.9
146.36353	1.5
147.11687	15.5
149.09589	11.2
149.13242	13.6
151.11153	2.4
155.08524	3.4
157.10109	6.8
159.11679	16.0
161.09599	2.3
161.13213	8.4
163.11179	6.5
163.14738	3.0
165.12634	2.2
169.10124	3.9
171.11662	4.8
173.04391	2.3
173.11858	2.7
173.13264	7.9
175.11208	1.9
175.14807	2.7
177.12698	3.7
181.70769	1.9
183.11679	2.8
185.13255	6.2
187.11336	1.7
187.14795	3.3
189.11162	2.6
191.14302	1.9
195.11737	1.6
195.13837	4.0
197.13254	2.3
199.14806	1.7
213.16328	2.0
227.12714	3.9
229.14342	5.7
229.19398	1.5
239.18094	2.5
243.21049	2.6
255.15881	5.2
257.18939	6.1
259.20404	2.3
261.22220	11.1
263.64072	1.6
267.15808	2.4
269.17474	19.7
275.20062	23.1
281.45886	1.6
293.21008	3.0
309.20511	3.5
331.22559	4.3
335.25775	95.6
336.26123	3.4
339.17880	1.7
349.23709	20.6
379.29242	1.6
399.05823	1.6
413.21799	2.6
431.84464	1.5
489.35620	4.6
511.37582	2.8
515.37244	19.7
529.38849	62.0
543.40302	1.8
569.41919	14.7
609.45117	39.0
627.46344	10.8
669.27527	1.6
673.42621	2.6
753.49011	1.6
986.55951	3.3
987.57080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	1.8
69.07062	12.1
71.04990	3.3
73.02912	2.9
75.11954	1.2
77.03928	2.4
79.05486	32.9
81.03406	3.0
81.07050	30.9
82.75368	1.2
83.04966	2.1
83.08617	5.2
85.02888	7.5
87.04505	1.2
89.06014	1.8
91.03949	3.7
91.05474	42.9
93.07035	33.3
93.75339	1.1
95.04965	9.3
95.08606	25.4
97.02880	4.2
97.06538	3.5
97.10159	3.1
103.05453	1.6
105.04534	3.5
105.07019	34.5
107.04980	1.7
107.08586	17.8
109.06516	3.7
109.10149	11.7
115.05468	3.4
116.06232	1.4
117.07014	20.1
119.08573	25.4
121.06506	1.4
121.10136	14.5
123.11729	2.3
125.09653	2.0
127.03931	2.1
128.06239	4.0
128.07643	1.1
129.07005	13.9
130.07735	1.8
131.08559	25.2
133.08577	1.7
133.10115	18.6
135.08061	2.5
135.11705	9.8
137.09586	1.7
141.06970	5.7
142.07784	3.2
143.08562	14.8
145.04906	1.5
145.10100	23.5
147.11691	12.6
149.09714	1.4
149.13243	4.0
153.07074	1.6
154.07799	2.3
155.08563	8.6
157.10106	15.2
159.08029	1.6
159.11688	14.6
161.09517	1.5
161.13222	6.0
163.05968	2.4
163.11148	1.6
167.08580	4.3
168.09309	1.3
169.10120	12.9
171.11679	13.1
173.09782	1.3
173.13258	8.7
175.14778	2.0
177.16397	1.7
181.08681	1.3
181.10117	5.4
183.11652	10.0
185.13226	9.0
187.14844	5.0
189.12874	1.2
189.16396	1.4
193.10155	2.2
195.11693	6.0
197.13266	8.1
199.14803	6.6
201.16373	2.8
207.11769	2.3
209.10129	1.3
209.13222	6.5
211.14848	5.7
213.16434	3.9
221.13226	3.8
223.14914	3.7
225.16377	4.2
227.16225	2.3
227.18129	1.8
235.14777	2.6
237.16362	2.6
239.17940	3.5
257.18991	3.4
259.20575	7.6
269.18958	1.5
275.20126	1.7
283.20557	1.3
299.20581	1.2
302.85211	1.2
311.23615	1.4
313.21460	1.5
321.22260	1.9
323.23840	1.8
333.24283	4.3
335.26028	1.8
351.26755	2.4
433.30783	1.9
473.32401	1.5
501.35617	2.5
517.40198	9.5
525.35492	1.5
535.41138	5.7
539.36963	3.0
553.41364	1.4
573.42944	1.9
591.44269	9.4
607.43408	1.9
609.45081	100.0
610.45313	4.3
651.45282	1.6
717.46570	2.1
727.80310	1.4
771.49890	8.0
986.54828	2.9
1006.07330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.9
70.70679	0.3
79.01848	7.8
79.95227	0.2
81.02958	0.4
81.03407	5.6
85.02910	0.5
91.05447	0.4
97.02888	2.1
99.04432	0.3
103.05453	0.5
107.01307	2.1
109.02880	2.6
123.00748	0.4
125.02336	4.2
127.03901	2.7
129.03343	0.2
131.04918	0.5
133.02866	0.4
143.03384	9.0
147.04437	0.7
153.01813	100.0
153.02893	6.4
154.02161	1.8
155.02354	0.4
156.98352	0.2
157.02797	1.2
161.02362	0.5
163.03926	1.0
171.02916	0.6
173.02350	0.5
175.03906	1.4
185.02316	0.8
187.03880	2.8
189.01843	0.8
191.03377	1.1
201.01848	0.7
203.03404	2.6
207.02869	0.8
213.01820	2.3
215.03343	3.0
217.01291	1.5
219.02934	1.6
221.00742	0.2
229.01265	1.0
230.01918	0.2
231.02861	11.8
232.03093	0.3
235.02296	2.2
241.01280	2.1
243.25020	0.2
245.00778	1.3
247.02405	2.1
256.83868	0.2
257.00781	1.6
259.02362	21.1
260.02722	0.9
263.01840	1.1
273.00290	1.3
275.01831	3.0
276.02545	1.0
277.03400	49.5
278.03757	2.6
279.04175	1.0
285.00378	1.4
291.01364	0.6
297.05927	0.5
300.99722	0.6
303.01331	14.1
304.01685	0.9
305.01767	0.3
319.00845	2.3
321.02463	1.0
335.03943	0.4
337.01859	4.3
417.04202	0.3
445.03995	2.5
463.05029	3.1
481.06189	3.2
606.94672	0.3
615.05951	2.7
633.07056	5.2
651.08063	0.7
666.72095	0.3
935.07660	2.4
953.08783	8.1
971.09723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.1
70.04065	1.3
70.46076	1.6
71.04949	0.7
78.04697	2.4
79.05463	3.7
81.03415	4.9
81.07040	1.3
82.04179	1.5
85.02895	4.6
91.05470	9.4
93.03374	1.2
93.07027	1.9
94.04156	0.8
95.04946	3.9
97.02859	2.1
97.06524	1.4
103.05455	9.7
105.03385	1.1
105.04503	1.1
105.06998	4.3
105.67307	0.9
106.04161	2.4
107.04946	6.2
109.06524	1.2
110.03653	1.2
111.04421	1.8
113.05963	0.7
115.05442	7.4
117.07012	7.7
118.04160	1.8
119.04946	6.9
120.05673	1.5
121.06501	1.5
122.03630	2.2
123.04414	5.2
124.05200	3.1
125.05981	3.0
127.03928	0.8
128.06248	0.8
129.06978	1.9
130.04161	1.0
131.04910	14.3
133.02843	8.7
133.06450	3.6
134.03580	0.7
135.04402	1.2
135.08002	0.9
137.04922	1.5
137.05956	24.8
138.67293	0.8
139.03845	1.0
143.04877	1.3
144.05763	1.5
145.05006	0.9
145.05225	1.2
145.06462	14.1
146.03680	0.9
147.04385	8.2
147.08002	1.1
148.05147	3.5
149.05992	3.1
151.03931	3.8
151.07510	5.9
152.04698	2.1
153.05444	7.1
155.06000	4.4
155.07098	0.9
156.05711	1.0
157.22098	0.7
159.04424	0.9
159.08020	1.7
160.05203	1.8
161.05949	7.3
163.07523	17.0
165.05489	4.2
167.07019	100.0
168.07365	1.3
171.04451	0.9
171.06462	3.6
173.05960	20.9
173.74016	0.8
175.07481	6.2
177.05492	3.9
177.09061	1.2
179.07040	11.1
181.04932	67.2
187.07515	3.5
188.08316	1.0
189.09093	1.5
190.06223	3.4
191.06995	30.6
193.08621	1.5
195.06451	2.3
197.08078	1.2
201.05386	1.8
202.06180	1.3
203.06979	7.7
205.08575	13.6
207.06523	2.2
207.10095	1.8
209.08080	2.2
215.06964	1.3
217.08565	4.9
219.06442	1.7
219.10161	1.9
220.07234	1.5
221.07886	1.7
223.07500	1.2
229.08611	1.2
231.06303	1.1
233.07962	8.1
234.06827	0.9
235.07532	1.3
235.09604	7.8
237.09042	0.9
241.08548	2.1
247.09698	2.4
251.08980	0.9
255.10144	1.4
257.08206	1.1
263.06699	1.0
263.09109	12.3
265.08353	1.9
265.10742	2.8
267.10181	1.2
271.09650	1.2
277.08356	1.4
279.06610	0.8
279.09964	1.3
281.07916	0.9
283.09470	1.1
291.79849	0.7
293.07730	1.3
295.09525	1.6
297.11084	3.0
309.11182	2.8
310.08109	1.1
315.12265	1.2
323.12714	0.9
325.10779	2.2
327.12256	3.7
329.10199	1.7
329.13812	1.0
337.10910	1.1
339.11792	1.4
355.11578	0.9
357.13303	8.8
367.11624	1.1
370.14182	1.1
383.14743	1.1
385.12778	12.2
387.14359	7.5
399.14175	2.8
401.16043	1.0
415.13748	2.7
416.14600	6.5
417.15375	39.8
418.16245	1.0
419.74649	0.8
465.46930	0.8
505.62576	0.7
535.19501	1.1
547.19482	1.3
549.20831	1.2
565.20667	27.1
577.20270	3.4
595.21191	2.9
613.22607	11.4
614.23267	1.2
715.27002	1.1
727.26685	1.7
757.26605	1.5
772.04419	1.0
775.27960	22.6
776.27649	1.2
944.03741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	2.4
73.02901	0.7
75.88918	0.6
76.55493	0.5
77.03942	0.9
78.04688	2.4
78.69626	0.5
79.05488	3.8
81.03418	3.9
81.07043	1.3
82.04190	1.2
85.02891	5.6
89.03899	0.7
91.05473	9.2
93.03378	1.3
93.07031	0.8
94.04169	0.8
95.04944	4.4
97.02869	2.5
97.06522	1.5
99.04456	0.7
102.04623	0.8
103.05458	9.7
105.03379	1.6
105.04476	1.1
105.07005	3.3
106.04134	1.8
107.04945	8.3
109.02853	0.9
109.06496	0.8
109.63178	0.6
110.03636	2.5
111.04430	1.9
115.05439	8.8
116.06281	0.6
117.07008	8.6
118.04185	1.2
119.04926	8.2
120.05702	2.0
121.06483	2.7
122.03629	2.2
123.04401	7.3
124.05215	3.4
125.05988	3.4
127.05424	0.9
128.06172	0.8
129.06970	1.7
130.04143	1.7
131.04913	13.5
131.08531	0.7
131.29251	0.6
132.05563	0.9
132.87341	0.6
133.02846	9.2
133.06453	4.4
134.03619	0.9
135.04413	1.3
135.08072	0.6
137.02359	0.9
137.05962	22.7
138.03119	0.9
141.06940	1.0
143.04932	1.6
144.05661	1.5
145.06468	14.7
146.03604	0.9
147.04404	9.4
147.08034	2.5
148.05164	3.4
149.05992	3.4
151.03911	3.8
151.07527	6.8
152.04645	2.2
153.01819	1.3
153.05443	4.8
154.06174	0.6
155.04878	1.0
155.05978	4.6
155.07028	0.7
156.05725	0.8
157.06476	1.2
159.04387	1.2
159.08138	1.1
160.05167	2.2
161.05954	7.6
162.06670	1.1
163.03926	0.8
163.07523	10.1
163.95703	0.6
165.05472	4.9
167.07016	100.0
168.07408	1.1
171.06619	4.2
171.07864	1.0
172.05212	0.7
173.05966	20.4
174.06613	1.2
175.07512	6.3
176.04622	1.1
177.05455	3.9
177.09074	1.4
179.07018	11.5
179.08502	0.5
181.04935	70.8
183.06306	0.6
185.05956	0.8
186.06754	0.7
187.07523	3.0
188.04636	1.4
188.08293	1.0
189.05415	1.7
189.09068	1.5
190.06323	2.8
191.07007	35.6
193.04866	0.7
193.08595	2.5
195.06572	1.4
195.08083	0.9
197.06113	0.9
197.08031	1.2
198.06816	0.6
199.07530	0.9
201.05476	1.8
202.06342	1.1
203.07011	8.8
204.07803	0.6
205.08588	9.4
207.06482	1.4
207.10065	1.2
209.08020	1.6
217.08542	4.0
219.06375	1.2
219.10100	2.1
220.07164	0.9
221.07858	1.4
223.07486	1.4
226.06210	0.8
227.07059	0.7
229.08566	1.5
231.06375	0.8
233.05902	1.0
233.08011	7.7
235.07484	1.4
235.09607	7.3
236.08189	1.3
237.09222	1.3
239.06914	0.8
241.08534	1.7
247.07442	0.8
247.09621	1.2
249.09055	1.0
250.06189	0.7
253.08423	0.9
255.10083	1.3
257.08194	0.9
259.09665	0.9
263.09119	13.6
265.08545	1.7
265.10931	1.2
267.10086	1.9
277.08554	1.0
279.09924	1.4
281.08124	0.7
283.09454	1.5
291.10144	0.7
295.09497	1.4
297.11087	4.5
299.09271	0.7
301.10596	0.7
307.09424	1.0
309.11029	2.7
310.08319	1.1
311.12720	1.3
313.10706	1.5
315.12302	1.0
321.11176	0.8
325.10626	2.9
327.12201	3.4
329.10074	2.6
329.13611	1.0
335.09311	0.7
339.12036	1.8
341.10150	0.8
355.11743	1.3
357.13187	7.3
367.11722	0.9
369.13263	1.1
370.14026	0.9
371.14871	1.3
381.13531	1.3
385.12756	13.3
386.13388	1.1
387.14401	5.1
399.14230	2.2
413.16110	0.7
415.13510	1.7
416.14673	5.2
417.15405	30.8
418.16019	0.7
471.16422	1.0
547.19550	1.8
549.20551	0.8
565.20605	29.3
566.19952	0.8
577.20398	4.5
595.21405	2.2
613.13391	1.0
613.22736	12.9
715.26416	1.0
727.25714	0.9
757.28302	0.8
775.28015	31.8
776.27307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	2.8
69.53183	2.5
77.03919	1.3
78.04701	2.5
79.05482	3.5
81.03403	4.2
81.07055	0.8
82.04189	1.4
85.02897	4.0
91.05469	9.4
93.03379	1.8
93.07039	1.4
93.26704	0.6
94.04202	1.0
95.04964	4.6
97.02869	1.4
97.06534	0.8
98.23486	0.7
99.04456	1.0
103.05457	11.5
105.03398	1.3
105.04512	0.7
105.07063	3.2
106.04169	1.2
107.04942	7.9
109.02824	0.8
109.06511	0.9
110.03636	1.3
110.38808	0.6
111.04430	1.9
115.05448	5.8
117.07004	8.2
118.04124	1.4
119.04906	6.7
119.08542	0.7
120.05692	1.3
121.06486	2.7
122.03634	2.5
123.04404	6.9
124.05194	2.3
125.05992	2.5
127.03886	0.9
127.05380	1.0
128.06155	0.7
129.06996	1.9
131.04918	16.3
131.08565	0.8
132.05699	1.2
133.02837	7.5
133.06447	4.0
135.04407	1.2
135.08022	1.2
137.05971	25.4
138.03114	1.1
141.07062	0.7
142.02586	0.8
143.04959	1.6
144.05687	1.7
145.06470	14.4
146.07301	1.0
147.04391	10.5
147.08058	1.4
148.05165	4.5
148.63596	0.7
149.05968	3.9
151.03925	3.9
151.07526	5.9
152.04675	2.0
153.01808	1.5
153.05447	5.4
155.06064	4.0
156.05614	1.0
157.06488	1.8
158.07225	1.0
159.04422	2.0
159.08052	1.1
160.05167	2.2
161.05969	5.6
163.03828	1.1
163.07529	14.8
165.05458	5.4
167.07024	100.0
168.07436	0.7
169.06430	0.9
171.06548	3.4
172.05203	1.2
173.05963	23.2
174.06708	0.9
175.03879	0.8
175.07529	7.4
176.04657	1.2
176.35936	0.7
177.05431	3.3
177.09074	1.3
179.07018	11.0
179.08441	1.2
181.04938	62.8
186.06761	1.0
187.07556	3.0
188.04686	1.1
188.08330	1.3
189.09027	1.3
190.06203	4.0
191.07016	31.2
193.04938	1.0
193.08659	1.6
195.06526	2.3
197.08012	0.8
200.04675	0.7
201.05382	1.7
201.09077	0.8
202.06163	0.7
203.07002	7.2
204.07935	1.0
205.08586	10.3
207.06512	2.1
209.08081	1.6
215.07010	1.3
217.08649	4.7
219.06366	0.9
219.10162	2.5
220.07211	1.2
221.08067	1.1
225.07428	1.1
229.08549	0.9
231.06381	1.1
233.08006	7.0
234.06728	1.2
235.07520	1.1
235.09570	7.3
237.08980	1.0
241.08545	1.0
245.08133	1.3
247.07379	1.2
247.09615	1.8
249.09093	0.7
253.08562	0.7
259.09778	0.9
260.50714	0.7
263.06870	0.8
263.09158	9.8
265.08356	1.5
265.10800	1.7
267.10117	2.5
277.08475	1.0
278.09357	0.7
279.10233	1.4
284.10190	0.8
291.09937	1.2
293.07819	1.6
295.09525	1.3
297.11246	3.4
307.09589	1.1
309.11038	1.7
310.08493	0.8
315.12445	0.9
325.10580	3.2
326.11203	1.0
327.12381	3.1
329.10080	2.0
329.13739	1.2
330.63651	0.7
331.11816	1.0
339.12277	1.5
351.12164	0.8
355.11700	0.9
357.13144	6.8
367.11737	1.2
369.13510	1.1
370.14429	0.9
383.14682	0.9
385.12723	11.8
387.14429	5.3
399.14233	3.3
401.16080	1.0
403.13892	0.7
415.13730	1.5
416.14633	5.4
417.15381	30.8
418.15454	0.7
547.19336	1.4
565.20648	28.1
577.20343	3.7
595.21924	2.9
613.22644	11.8
775.28027	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	991.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.7
69.07073	0.5
73.02905	2.1
79.05485	2.4
81.03412	1.1
81.07043	1.6
83.05020	0.2
83.08638	0.3
85.02895	3.4
85.03345	0.3
85.65720	0.2
85.85890	0.2
89.98837	0.2
90.95046	0.2
91.03944	2.6
91.05461	1.7
93.07037	2.1
95.01080	0.3
95.04991	0.7
95.08595	1.2
97.02887	3.6
99.04483	0.3
101.02381	1.3
101.86311	0.3
105.07018	1.9
107.08566	1.3
109.02876	0.6
117.07012	0.4
119.08570	1.5
121.10171	0.8
127.03935	1.1
129.07010	0.4
131.08594	0.7
133.10164	1.0
135.11737	0.5
143.08606	0.3
145.04982	0.3
145.10150	0.6
147.11722	0.7
157.04767	0.4
157.10161	0.2
159.11751	0.4
171.11751	0.5
171.68175	0.3
172.56012	0.3
173.13354	0.3
185.04266	1.0
201.03783	0.6
203.05267	1.1
243.08359	1.7
259.07788	0.4
259.20599	0.3
301.08987	1.0
315.10587	0.4
317.20972	0.8
329.08368	0.4
347.09439	3.9
357.24124	0.3
363.08929	1.6
365.10583	0.9
369.15125	0.3
373.23682	0.4
397.18451	0.5
405.13644	6.2
405.18787	0.5
463.14197	1.5
465.21259	1.0
475.14441	0.4
477.15900	0.8
478.17032	0.3
503.17288	0.4
517.19177	0.5
525.23816	0.4
531.20782	0.4
533.22009	0.3
535.28760	6.8
559.23755	0.5
599.26874	0.6
607.31519	0.5
627.26324	1.1
657.27863	0.4
679.32483	0.3
687.28638	0.9
697.33966	9.0
698.34869	0.3
769.35101	1.3
783.37512	0.3
811.40314	0.4
829.50702	1.0
853.44598	0.4
991.55878	100.0
992.56335	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	1002.6168
Annotation	Unknow
Peak:m/z	Relative Intensity
78.62662	2.0
83.05038	15.1
85.02950	3.5
94.83160	2.0
125.02476	2.4
141.26086	2.0
150.78218	2.0
159.10240	17.5
263.61026	2.0
281.13535	2.1
281.56531	9.1
301.18033	3.9
319.19150	8.2
351.18805	2.3
384.30026	2.2
479.30215	100.0
522.30743	88.4
523.18317	3.4
523.31390	2.6
532.40161	2.1
586.23645	2.8
749.87653	2.6
784.28601	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03466	5.5
96.96024	1.1
108.02200	1.3
109.02980	1.4
121.02978	7.8
122.03756	16.6
123.04597	1.4
133.02992	2.0
134.03699	1.5
135.04518	1.1
136.01686	8.9
137.02460	7.5
138.03253	1.9
145.02971	1.8
146.03748	1.9
147.04538	1.3
149.02446	31.7
149.06036	1.8
150.03238	100.0
151.00391	4.7
151.04028	13.4
152.04788	3.2
161.02463	1.8
162.03226	2.2
163.03973	1.7
164.04811	5.9
165.01932	2.3
165.05580	79.5
166.02718	10.2
167.03563	2.6
175.04021	3.2
176.86758	1.0
177.05580	3.8
179.03503	1.6
179.07167	5.2
180.04323	5.6
181.05093	13.1
187.04060	1.2
188.04834	1.2
190.06416	1.3
191.03526	1.5
193.05093	2.3
195.06644	41.6
205.05112	3.3
207.06703	1.6
219.06560	1.9
220.07434	2.5
237.28204	1.1
313.10742	2.1
315.08801	1.1
325.07068	1.2
326.07632	1.0
328.09656	1.2
329.10477	1.3
341.10144	1.2
343.11871	15.0
355.11963	1.3
357.12802	1.2
367.11646	1.3
368.12280	1.2
373.12967	7.4
387.10449	2.1
387.14487	3.2
391.14133	4.1
402.13217	1.4
403.14136	2.6
417.15521	12.5
459.23709	1.1
531.44287	1.1
535.15747	1.3
564.19666	1.8
565.20844	30.2
577.21014	1.6
583.21570	1.4
595.22028	13.2
613.22998	7.4
713.26581	4.1
725.25360	1.2
743.27380	3.0
761.28949	5.0
791.29437	2.7
809.30408	2.0
839.04065	1.3
939.34564	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03460	4.5
109.02960	1.3
110.50222	1.1
112.41387	1.1
121.02966	7.3
122.03741	14.8
123.00859	0.9
123.04530	1.6
133.02989	1.4
134.03729	2.4
136.01674	7.2
137.02461	6.0
141.65215	0.9
146.03735	1.2
147.04478	0.9
148.01675	1.0
149.02461	23.8
149.06079	1.5
150.03242	100.0
151.00385	3.2
151.04030	8.9
152.04776	1.1
161.06104	1.3
162.03194	1.8
163.03940	1.2
164.04803	5.2
165.01935	4.1
165.05586	85.1
166.02737	10.1
167.03448	1.6
175.04008	2.4
177.01923	1.3
177.05569	3.0
179.03491	2.2
179.07132	4.2
180.04286	6.6
181.05067	12.3
193.05057	1.0
195.06642	49.8
205.05067	2.9
219.06587	1.3
220.07361	2.0
225.07701	2.4
233.83716	1.0
267.06604	1.1
298.08588	1.5
313.10721	1.9
322.07800	1.2
339.08142	1.0
343.11871	11.6
357.13373	1.0
367.11813	1.6
368.12238	1.3
373.12946	6.4
387.14731	4.8
387.38699	1.1
391.13974	3.1
402.12784	1.7
403.14005	1.1
417.15573	10.4
421.15140	1.9
551.18536	1.2
565.21014	16.9
583.21967	1.1
595.21765	6.9
613.23047	6.8
664.94788	1.2
743.27991	1.3
761.28467	4.8
791.29797	1.5
809.30896	2.5
909.32593	1.7
921.34326	1.1
939.34686	1.6
957.35626	2.3
958.63818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.5
71.43954	0.3
85.02964	0.4
87.00884	17.0
96.33118	0.2
97.06624	1.8
101.02470	0.5
109.02977	0.3
115.00400	0.5
121.02972	1.8
122.03786	0.6
123.04526	1.7
125.02509	0.3
129.23724	0.3
130.99884	3.9
132.00636	0.6
133.01437	0.5
137.02473	0.2
146.03749	4.3
147.04514	2.5
148.05312	0.4
149.06108	1.1
159.04530	0.9
160.05287	0.7
161.06107	0.8
162.06888	0.6
163.07664	1.3
164.04796	0.3
168.89601	0.3
169.01503	0.4
172.05334	2.4
173.06085	1.1
173.09738	0.2
174.03253	1.7
174.06883	1.1
175.04099	1.7
175.07643	11.3
176.04799	1.0
176.08084	0.3
185.06142	0.6
186.06911	1.6
187.07664	2.9
188.04787	1.5
188.08449	0.3
189.05621	1.2
189.09155	0.5
190.06374	3.1
191.10777	0.4
193.05042	0.3
199.04025	0.5
199.07724	0.5
200.04800	6.0
201.05603	0.8
201.09218	5.5
203.07156	4.3
204.07912	2.3
211.07664	0.5
214.06335	0.7
215.07143	1.3
215.70036	0.3
216.04301	0.4
216.07979	1.0
217.08705	4.4
219.10274	7.8
225.09120	0.4
227.10783	3.2
228.07922	1.0
229.08704	22.0
242.05931	0.4
243.10278	1.0
245.08189	2.9
245.11761	2.0
247.09779	2.4
254.04320	1.0
261.11414	1.3
262.51456	0.3
271.09845	1.8
273.07718	12.3
289.10812	1.4
291.08582	0.5
300.99957	0.3
315.08704	0.4
321.08658	0.3
333.09808	5.3
351.10867	100.0
352.11060	1.7
446.63107	0.3
554.36841	0.3
571.14972	0.3
709.22046	0.3
937.14557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	2.4
72.99299	0.4
89.02449	0.4
98.21894	0.8
100.58118	0.3
107.01399	1.5
108.02213	1.0
115.00388	8.8
119.05022	5.3
121.02914	0.5
133.01440	18.3
133.07993	0.3
135.00896	0.6
148.01678	0.6
151.00381	5.0
163.00389	1.1
163.04036	4.5
164.01192	0.4
169.01445	0.6
178.99887	2.6
194.56635	0.4
199.03967	0.5
210.63449	0.3
226.02797	1.0
227.03493	1.4
243.02992	7.1
244.03789	0.5
254.02289	1.5
255.03004	19.7
271.02512	47.0
272.03052	2.0
279.05078	0.6
299.01917	2.6
300.02783	95.7
300.99973	0.8
301.03464	7.1
302.00320	0.4
319.98636	0.4
343.04538	0.6
349.63815	0.4
352.33762	0.4
387.96140	0.4
512.00018	0.4
741.18896	100.0
742.18976	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	1023.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
81.88565	0.4
88.61969	0.4
95.01415	0.8
117.03493	0.5
119.50890	0.3
123.00890	1.8
125.02457	1.9
129.03470	0.5
131.05023	0.7
131.85361	0.4
145.02972	2.1
147.04495	1.7
157.03006	1.1
159.04562	1.3
161.02431	0.9
163.04010	1.1
165.61975	0.4
173.02441	2.8
175.04037	3.0
177.01958	1.1
177.05545	0.4
185.02467	4.0
187.04005	0.8
189.01981	0.7
190.02782	0.7
191.03563	2.0
201.01950	4.5
202.02687	0.4
203.03522	6.7
205.01375	0.6
213.01900	1.7
214.02759	0.5
217.01476	1.0
219.03000	1.6
226.99953	0.6
229.01425	12.8
230.02127	0.6
231.03015	5.8
239.05650	0.8
240.00836	0.4
245.00905	2.2
247.02524	1.2
249.04059	6.4
257.00925	10.9
258.01727	4.7
273.00455	1.2
274.01218	1.4
275.02005	40.3
276.02310	0.6
283.99661	3.7
299.99149	3.0
300.99927	92.7
302.00284	1.4
319.00720	0.5
463.05045	0.7
481.06256	3.8
657.90588	0.5
783.06921	100.0
784.07147	3.8
1044.83423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	0.9
71.41588	0.4
73.02963	0.2
79.01917	0.3
81.03484	0.4
85.02984	0.5
87.00887	1.7
93.03452	0.6
95.01425	0.5
97.02976	0.6
97.06597	0.7
101.02459	0.7
105.03478	0.2
107.01406	4.3
107.05061	0.7
111.00916	0.6
112.05297	0.5
113.02426	1.2
121.02969	3.6
122.03766	0.6
123.00898	3.0
123.04523	0.4
124.01668	4.1
125.02462	32.0
135.04543	0.3
136.98810	0.3
137.02455	0.9
139.00391	0.8
140.01212	1.2
141.01987	0.4
147.04518	1.2
148.05313	0.6
149.02405	0.3
150.03236	0.3
151.00356	1.2
161.02464	0.3
163.04114	0.3
165.01974	0.7
166.02705	0.3
167.03528	0.4
168.00661	4.9
169.01445	49.3
170.01868	0.3
183.03036	0.7
191.03564	0.6
192.04291	0.3
193.01422	2.4
194.02266	0.2
202.04150	0.2
211.02498	19.6
223.02434	0.5
235.02625	0.3
241.03549	2.1
253.03705	0.5
254.04225	0.4
271.04623	15.2
291.08752	0.6
295.04575	0.7
301.00000	0.4
313.05676	4.2
331.06723	0.8
351.10828	5.3
369.11963	0.3
423.05759	1.2
480.42468	0.3
483.07864	6.1
523.21991	0.5
569.94360	0.3
673.21423	100.0
674.21515	2.8
738.86749	0.2
867.47449	0.3
995.77734	0.3
1001.53308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.7
73.02940	0.4
79.01878	0.4
83.01381	0.3
85.02931	0.4
87.00890	3.8
93.03446	0.3
95.01404	1.4
96.95998	0.7
97.02946	0.7
101.02474	0.5
107.01398	3.5
107.05050	0.5
111.00879	0.9
113.02375	0.3
121.02940	0.8
122.03735	0.6
123.00904	5.6
124.01675	5.6
125.02460	16.6
126.02821	0.4
130.99870	1.4
134.03793	0.4
135.04495	0.4
136.98778	0.6
137.02423	0.5
139.00409	1.6
139.01294	0.3
140.01189	1.7
141.01942	0.6
147.04483	0.6
149.02452	0.4
151.00385	2.7
151.03969	0.4
153.01923	0.5
163.04077	0.7
166.99826	0.5
168.00644	3.0
169.01443	19.9
174.03395	0.3
175.04034	0.3
191.03557	0.3
191.10780	0.3
205.01616	0.3
209.15520	0.6
211.02518	1.0
217.01418	0.3
224.84488	0.3
234.01770	0.4
237.03990	0.4
254.04327	1.8
271.04489	0.7
273.00369	0.3
275.02057	0.4
295.04739	0.5
300.99869	1.1
313.05624	0.7
351.10931	4.2
373.83209	0.3
375.20209	0.7
393.89185	0.3
406.16098	0.4
489.21265	0.3
505.20840	7.1
523.21838	12.6
673.21436	0.6
674.22180	1.3
675.22961	100.0
676.23175	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	103.0039
Annotation	Malonic acid
Peak:m/z	Relative Intensity
53.11639	0.2
57.03453	3.3
59.01385	100.0
60.01719	1.5
68.87379	0.2
85.02956	1.2
98.21875	0.3
101.02460	0.5
103.00386	3.8
103.04040	0.8
103.92036	0.3
105.68867	0.2
109.85768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82342	0.2
57.03460	1.1
59.01383	100.0
60.01715	1.6
70.56757	0.3
73.02967	0.6
77.91546	0.2
83.91431	0.2
85.02961	0.5
99.80120	0.2
100.55150	0.2
103.00380	3.8
103.04028	0.5
103.92054	0.5
110.32458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
72.41173	2.0
78.21886	2.1
93.03465	6.3
109.02972	3.2
114.67603	1.9
119.88029	1.8
121.02957	11.0
122.03770	19.4
123.00863	1.8
124.01703	2.6
133.02997	2.4
136.01682	8.5
137.02460	13.0
138.03261	3.9
142.88586	1.8
146.03748	2.9
148.01730	1.9
149.02461	32.8
150.03244	100.0
151.00357	10.0
151.04012	14.6
152.01099	2.1
152.04810	3.2
155.21567	2.2
162.03218	5.0
164.04761	10.6
165.01926	20.8
165.05589	78.3
166.02716	20.5
175.03929	3.7
177.05534	3.5
179.03474	5.1
179.07144	5.2
180.04323	16.9
181.05067	26.7
192.04358	3.0
193.05087	3.1
194.05899	2.2
195.06642	64.5
205.05081	6.9
225.07642	10.0
266.16049	2.0
315.08749	2.8
325.07285	2.1
343.11932	3.4
368.12256	2.2
373.13025	24.6
387.10248	2.3
387.14651	2.5
403.14084	9.1
417.15430	17.7
421.14963	14.5
535.15240	3.0
565.20898	38.8
595.21814	22.2
613.22949	15.9
630.01648	2.2
733.23578	2.4
743.27313	2.9
791.29395	4.9
969.36334	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	1035.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03449	5.7
95.01435	1.1
95.05067	0.9
108.02164	0.9
108.50034	0.7
109.02956	2.6
109.21107	0.7
121.02965	7.8
122.02911	1.1
122.03761	17.4
123.00861	1.9
123.04489	1.7
124.01678	1.2
133.02945	2.1
134.03746	1.5
135.04500	1.2
136.01669	8.3
137.02469	12.8
138.03276	1.6
145.03003	0.7
146.03746	1.9
149.02463	26.1
149.06047	1.8
150.03244	100.0
151.00389	7.5
151.04013	9.4
152.01190	0.9
152.04794	2.2
152.57587	1.0
153.05476	0.8
161.02469	1.8
162.03259	2.4
163.04021	1.3
164.04828	6.6
165.01947	26.7
165.05585	83.3
166.02734	16.9
167.03506	2.7
175.04004	1.5
177.01968	1.1
177.05560	3.6
178.02762	0.8
179.03542	5.8
179.07164	3.9
180.04300	19.7
181.05081	25.3
187.04002	1.2
190.02727	0.8
191.03529	1.4
192.04199	0.8
193.05125	2.0
194.05838	2.1
195.06642	76.9
201.96468	0.9
205.05049	4.1
207.06630	1.9
209.04387	1.0
209.08253	2.1
210.05321	3.1
219.06560	1.6
220.07416	2.6
225.07678	15.5
282.05249	1.1
299.09137	1.0
329.10049	1.0
338.07684	1.1
340.09299	0.9
343.11850	1.9
357.09732	1.0
359.11252	1.8
373.12976	11.3
387.10696	2.4
387.15143	3.7
402.13226	2.0
403.13919	6.7
416.14645	1.4
417.15582	19.5
421.15015	10.3
535.15759	2.1
550.18878	1.5
565.20856	26.1
595.21912	14.7
599.21606	1.3
613.22894	15.5
625.22766	0.8
643.23938	2.7
704.71252	0.8
743.27405	3.7
771.77057	1.0
773.28339	2.0
791.29480	4.5
821.30969	2.1
839.31451	4.7
939.35114	1.8
969.35480	1.8
987.35944	1.3
1035.38770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02931	0.2
78.01128	0.3
79.01900	0.6
82.00596	0.3
83.01417	0.4
85.02946	0.8
87.00880	0.3
89.02461	1.2
95.01400	1.7
96.96043	0.2
97.02947	0.5
101.02458	1.4
101.42296	0.2
107.01401	3.0
111.00881	1.1
113.02421	0.9
118.91772	0.1
119.03498	0.4
121.02967	0.7
122.03727	0.2
123.00900	11.2
124.01674	7.9
125.02456	11.6
127.00376	0.6
136.01678	5.5
136.02733	0.2
136.98846	0.7
137.02443	0.3
139.00397	2.5
139.04012	0.3
140.01166	1.6
141.01953	1.9
144.10213	0.1
147.86494	0.1
151.00392	8.1
151.04018	7.2
153.01930	0.6
154.99867	0.2
163.04036	0.5
164.50996	0.2
167.03545	0.3
168.00655	3.0
169.01440	15.8
179.03551	0.3
181.05077	0.4
193.05049	0.2
209.04517	0.3
211.02502	4.3
241.03455	0.2
253.03598	0.3
270.32819	0.2
271.01678	0.3
271.04611	5.0
308.97928	0.2
311.13187	0.1
313.05597	1.1
316.99435	0.1
342.11276	0.3
357.13480	7.2
358.13644	0.2
369.11960	0.3
435.12985	100.0
436.13367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
76.10023	0.7
87.00883	100.0
96.96021	2.3
121.03016	1.4
122.03760	5.2
125.02434	1.0
130.99878	72.3
132.00708	2.7
135.04536	1.9
137.02441	1.7
147.04524	1.8
148.05370	0.9
164.04842	0.8
201.09236	2.0
207.21339	0.8
236.57683	0.7
244.00528	0.8
254.04335	99.2
255.04662	1.5
275.01907	0.7
291.08743	0.8
300.99945	2.4
321.79092	0.7
348.23563	0.7
351.10873	74.3
369.12204	3.0
390.51166	0.8
759.34131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02952	7.7
75.00885	0.5
80.64666	0.3
83.01404	3.4
85.02961	14.8
86.96786	0.4
87.00891	0.8
89.02450	3.4
95.01392	2.6
97.02956	1.0
98.22566	0.6
99.00893	3.3
101.02451	15.9
101.03113	0.8
113.02464	10.5
113.03258	0.5
119.03497	0.8
125.02445	0.7
129.01976	0.4
142.65114	0.3
143.03502	0.9
147.25291	0.3
159.03011	2.2
161.04570	10.4
203.05608	0.3
283.62344	0.4
315.18134	23.3
316.18497	0.5
357.19177	17.1
409.31305	0.6
487.34341	100.0
488.34702	2.0
649.38812	0.4
930.58508	0.5
1050.72412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
83.32386	1.8
92.91436	1.7
95.01398	5.2
98.21738	2.4
115.05528	2.9
117.03420	2.2
119.05041	2.3
121.02935	2.9
123.00911	12.5
124.01679	3.9
125.02475	19.1
131.04993	5.3
133.02951	2.2
135.04546	2.1
137.02489	2.5
145.02948	6.0
147.04536	6.7
149.02405	2.4
158.03754	3.5
159.04543	12.5
161.02457	3.8
163.04015	3.0
164.01205	3.9
169.01407	4.0
171.04526	2.0
173.02432	3.8
174.03290	3.1
175.03999	12.0
177.01961	9.7
185.02434	3.5
187.04039	6.9
189.01967	2.8
190.02715	3.6
190.09123	1.7
191.03558	5.2
200.01146	2.8
201.01962	6.5
202.02730	4.1
203.03534	30.3
205.01407	2.1
213.02051	2.6
214.02789	4.0
215.03609	3.7
217.01373	4.0
218.02132	2.0
219.02858	2.1
221.04411	2.7
221.06311	2.9
227.03474	4.2
228.00711	3.8
229.01408	11.2
230.02153	4.1
231.02983	43.7
237.05457	2.8
242.02194	2.5
243.02969	4.9
245.00903	5.6
246.77090	2.0
247.02495	3.3
248.03252	5.9
249.04048	100.0
251.03453	2.2
255.03035	3.6
256.00034	3.0
257.00815	9.6
257.04572	2.0
258.01651	13.1
259.02356	5.5
265.04889	3.6
267.02948	2.6
267.06433	2.4
269.00974	3.6
271.02460	6.8
273.00433	11.8
273.03998	2.7
274.01239	16.6
275.01968	40.2
277.05051	6.9
279.06616	3.0
281.00983	2.0
283.02420	3.8
283.99557	4.5
285.04074	5.6
286.01169	5.8
287.01962	16.2
288.02756	10.9
291.01462	4.2
295.05930	2.1
297.00366	2.3
298.01086	5.1
299.02054	10.5
299.99030	3.7
300.02692	2.4
300.99908	28.4
301.03546	11.6
305.04639	4.3
307.06003	2.4
311.01968	4.8
311.05383	1.9
312.02606	3.1
312.99918	5.7
313.03455	3.8
314.00711	26.9
315.01361	5.2
317.02972	2.1
321.03998	7.7
323.05524	2.3
324.99896	2.8
325.03369	3.8
326.00757	4.6
327.01505	28.0
328.02130	7.2
329.03012	8.8
333.04266	4.3
335.05554	2.3
338.04340	2.0
340.02188	4.6
341.02969	10.0
349.03589	9.7
350.04303	7.0
351.05170	8.7
353.02884	2.4
353.06702	10.1
363.05325	2.6
367.04517	4.9
369.06491	2.6
377.03018	73.9
378.03836	21.8
379.04611	22.8
381.06265	2.5
383.03973	2.6
385.05444	3.6
395.04144	24.2
407.04187	2.7
413.05103	2.3
449.07019	2.7
461.06287	2.2
497.07187	3.7
515.08423	3.9
533.09204	5.2
583.07190	3.4
601.08325	3.3
631.09412	8.7
661.09753	2.6
687.07971	1.9
721.12317	10.9
859.10352	5.5
885.07623	17.1
903.09155	13.0
915.09265	2.6
927.09259	4.7
933.09949	26.8
963.11548	4.1
1005.12048	4.8
1007.09039	2.5
1023.13287	36.6
1024.14075	2.0
1067.12817	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	107.0504
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.24968	0.6
66.03485	0.8
69.62074	0.5
83.27284	0.5
84.40539	0.5
92.02669	0.6
95.05036	1.8
96.05386	0.5
106.04238	6.4
107.05042	100.0
108.02199	3.7
108.04565	7.6
108.05380	5.1
123.04538	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	1073.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.4
83.01423	0.3
83.05040	0.9
85.02959	1.2
87.00887	10.8
89.02461	1.2
95.01398	0.5
96.96001	0.4
99.00923	0.6
101.02448	2.0
113.02457	1.0
115.00312	0.7
115.23807	0.3
119.03565	0.4
119.05020	0.5
121.02968	1.1
121.91093	0.4
122.03753	2.1
123.04519	0.6
125.02460	1.0
126.01087	0.4
130.99875	2.3
135.04486	0.6
137.02448	0.5
146.03757	4.4
147.04533	3.5
148.05322	0.8
149.02458	1.0
149.06117	0.5
150.03262	0.9
156.45432	0.4
159.04533	2.3
159.06529	0.4
160.05328	0.8
161.02489	0.5
161.06113	2.3
162.03299	0.5
162.06859	1.1
163.03972	0.7
163.11345	0.9
164.04802	0.5
165.05605	0.7
165.12852	0.5
169.01428	0.8
172.05302	1.6
173.02383	0.5
173.06122	2.0
174.03261	2.3
174.06891	0.9
175.04025	5.2
175.07535	0.4
185.02567	0.4
185.06082	0.9
186.06876	1.5
187.04059	1.2
187.07687	0.7
188.04828	2.5
189.05641	2.6
190.06371	11.0
196.05302	0.4
197.06018	0.4
199.04115	0.5
199.07669	0.5
200.04828	4.6
200.08379	0.4
201.05559	1.1
209.11852	8.9
209.13727	0.7
211.13481	3.0
213.05585	0.7
214.06432	0.7
216.07932	0.7
218.05830	0.4
221.06802	0.6
241.04953	0.4
243.13840	0.5
245.11716	0.7
254.04280	0.6
255.13989	0.6
259.13400	0.9
271.13403	6.9
275.01981	1.1
283.13431	1.1
285.14920	1.4
287.16492	1.2
289.14505	2.7
297.15018	5.7
299.12860	3.0
299.99176	0.8
300.13785	0.8
300.99954	2.3
301.14566	0.6
311.12878	1.2
313.14517	2.5
315.16031	29.5
317.13882	1.4
323.16501	2.7
325.14471	8.4
331.15527	1.0
333.17123	6.1
339.16055	1.5
341.13940	0.9
341.17609	2.6
343.15567	4.4
357.17221	2.6
361.16641	0.5
367.15652	1.2
369.13470	0.9
375.18176	0.5
385.16684	0.4
569.25555	0.6
587.23718	0.8
983.44946	1.1
995.42139	1.1
1011.44781	1.1
1013.42035	2.8
1037.42468	1.3
1055.43982	2.0
1073.44556	100.0
1074.44458	3.5
1090.37476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
84.57337	0.6
89.37502	0.6
103.79694	0.7
117.03432	0.8
119.05037	0.8
123.00916	1.1
131.05009	0.7
133.01468	0.9
133.02986	0.7
145.02968	1.7
147.04539	1.5
157.02943	0.9
159.04558	0.9
163.04027	1.2
163.69600	0.6
173.02451	2.8
175.04012	2.1
185.02460	4.7
189.01868	1.2
191.03487	2.1
201.01906	5.1
203.03510	5.1
213.01965	1.1
217.01511	1.1
219.02895	0.8
229.01424	10.8
231.02911	3.8
245.00882	3.2
249.04088	3.2
257.00946	9.1
258.01724	2.0
273.00543	1.0
274.01093	1.4
275.02011	31.0
283.99661	3.5
299.98920	3.5
300.99930	100.0
302.00250	2.2
481.06396	2.6
783.06940	90.5
784.07184	2.3
785.07581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
80.44521	0.4
87.93580	0.4
98.21828	0.9
105.04717	0.5
116.02670	0.6
117.03345	0.6
125.02431	1.0
131.54230	0.5
133.03017	0.4
145.02943	0.9
164.14844	0.6
167.05003	0.5
173.02473	1.0
185.02477	1.5
195.04483	0.7
201.01941	2.0
203.03514	1.1
207.04485	0.5
211.04117	0.6
216.14873	0.5
217.01466	0.6
223.04007	1.4
226.99930	0.6
228.00571	0.9
229.01454	4.3
231.03046	0.7
238.02855	0.5
239.03516	0.8
244.00020	0.5
245.00946	1.6
250.02696	0.6
251.03491	2.0
257.00946	1.8
258.01553	0.5
263.03555	1.2
265.01526	0.6
267.03000	1.6
270.98904	1.4
273.00293	0.9
275.01935	4.0
277.01471	0.6
279.02969	2.1
283.02524	0.8
283.99518	2.4
293.00833	0.5
295.02457	2.3
298.98367	1.2
299.99176	6.9
300.99924	39.6
305.00848	0.9
307.02402	1.4
309.00381	0.6
311.01883	2.4
321.00485	2.1
322.01126	1.1
323.02039	5.6
324.99893	1.3
333.00372	0.9
334.01205	0.7
335.01978	4.5
337.00107	0.8
338.00760	3.8
339.01425	4.8
339.98550	0.6
348.99817	1.3
350.00562	0.6
351.01535	6.5
352.99509	1.0
360.99860	0.9
363.01523	1.7
366.00293	2.6
367.00970	7.9
376.99365	3.0
379.01004	7.9
395.00403	5.9
397.01819	1.0
404.98880	3.1
405.99380	0.8
407.00433	8.8
423.00015	5.9
425.01566	16.6
432.98416	10.3
433.99396	0.7
450.99451	100.0
451.99594	1.1
469.00323	3.6
613.04846	7.9
631.05768	8.8
631.15417	1.0
633.07343	2.6
647.25848	0.5
723.05096	1.8
783.06921	34.8
784.07111	0.8
933.06677	3.1
1085.07617	28.9
1086.08069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
87.75221	0.4
125.02435	0.6
126.61293	0.4
145.02928	1.1
147.04434	0.5
157.02914	1.1
162.16508	0.5
169.01465	0.6
173.02412	1.1
185.02472	1.6
189.01773	0.6
191.03476	0.6
191.05032	0.5
198.38313	0.5
200.01183	0.5
201.01939	1.3
203.03487	0.8
207.04536	0.7
211.04057	0.5
223.04030	1.3
226.99933	0.5
228.00650	0.6
229.01384	3.7
231.03096	0.6
235.03996	0.7
239.03546	0.8
245.00987	1.2
249.01778	0.7
251.03485	1.6
257.00989	2.0
263.03540	1.0
265.01321	0.6
267.02969	1.7
269.01553	0.5
270.98959	1.1
275.01987	4.8
279.02966	1.9
282.01895	0.6
283.02451	0.6
283.99670	2.4
293.01282	0.6
294.01669	0.5
295.02640	3.5
298.98325	1.0
299.99158	6.2
300.99927	36.7
305.01010	1.0
307.02530	1.5
311.01883	2.2
321.00357	1.5
322.01199	1.6
323.02036	6.0
324.99951	1.1
333.00305	1.2
334.01419	0.5
335.01959	3.6
336.99817	0.7
338.00696	3.8
339.01459	5.1
340.99503	0.8
348.99881	2.0
351.01465	5.7
352.99451	1.0
360.99796	1.2
363.01596	1.6
366.00037	2.4
367.00943	7.8
376.99527	2.8
379.01007	8.2
392.99142	0.7
395.00452	7.3
397.01898	0.8
404.98849	3.9
407.00482	7.9
422.99976	6.3
425.01569	11.8
432.98361	12.9
433.98978	0.5
435.29547	0.5
450.99445	100.0
451.99875	1.1
469.00461	2.1
631.05707	9.3
633.07520	2.8
719.27307	0.6
723.04883	1.4
783.06952	36.1
784.07001	0.7
933.06647	3.1
1085.07605	32.2
1086.08130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
77.65590	0.8
95.01402	2.3
107.01385	1.3
109.02998	0.9
109.39117	0.8
111.00884	1.7
117.03472	2.4
123.00908	4.0
125.02474	7.4
125.22202	1.0
129.03448	1.2
131.05048	1.3
133.02948	2.0
139.00359	3.5
141.01915	1.3
145.02959	4.8
147.04567	2.9
155.05083	1.3
157.02910	2.0
158.03734	1.0
159.04535	2.5
161.02469	2.2
163.00366	1.2
163.04021	1.3
169.01434	4.9
169.02849	1.9
171.04495	2.7
173.02443	3.7
174.03171	1.8
175.04004	3.4
177.01978	2.1
183.04553	0.9
185.02432	4.1
187.04005	4.2
189.02003	4.4
190.02795	3.1
191.03488	2.9
191.05052	1.0
193.01422	1.7
195.04524	2.0
197.02394	1.2
197.06152	1.0
199.00438	1.6
199.04015	2.8
200.01152	1.8
201.01958	7.2
202.02669	2.2
203.03453	6.0
207.04590	1.4
209.02383	0.9
209.06114	1.2
210.03278	1.2
211.04008	2.3
213.01956	4.6
214.02707	2.7
214.99870	1.8
215.03493	5.1
216.00768	1.2
217.01453	4.7
217.05006	1.0
218.02295	1.5
219.02960	1.8
223.04019	1.8
225.01913	1.8
225.05479	1.4
226.02701	2.1
226.99899	2.1
227.03506	4.9
228.00623	2.3
229.01451	14.1
230.02248	2.3
231.02914	4.6
232.03732	1.0
233.04466	1.5
235.04054	2.0
237.01868	1.3
237.05606	1.0
239.03506	2.8
241.01468	2.5
241.05203	1.0
242.02281	2.2
242.99438	2.1
243.03030	7.1
244.00249	1.0
245.01003	6.9
247.02499	3.5
248.03319	0.9
249.01797	1.4
249.04065	2.9
250.02672	0.9
251.03494	3.2
253.01347	5.4
253.05141	1.8
254.99263	1.3
255.03113	3.4
257.00937	11.2
257.03641	1.1
257.04614	0.8
258.01724	7.0
259.02368	8.5
263.03458	1.5
265.01382	2.4
265.05142	2.0
267.02988	3.7
269.00977	3.1
269.04538	1.6
270.98871	3.1
271.02527	7.3
271.99744	1.7
272.03198	1.2
273.00424	8.8
273.03906	2.5
274.01215	16.0
275.01962	47.5
279.03027	2.9
281.01028	3.0
281.04544	2.3
282.01773	2.5
282.99225	0.9
283.02481	3.7
283.99554	1.6
285.00467	18.0
285.03748	2.1
286.01111	3.1
287.02109	7.6
288.02850	4.7
293.00980	3.4
293.04443	1.8
295.02518	4.4
297.00464	2.6
297.03818	1.8
298.01312	4.1
298.98486	4.2
299.01981	46.0
299.99063	5.4
300.02603	2.8
300.99899	20.2
301.03577	7.5
302.00436	1.1
303.01431	6.5
305.00885	1.2
307.02475	3.3
309.00549	1.2
309.04089	3.1
310.00937	1.5
310.98325	2.7
311.02026	5.9
312.02759	1.8
312.99963	3.9
313.03647	3.5
314.00705	4.8
315.01456	7.8
315.04691	1.4
317.03040	10.7
321.00430	2.8
322.01141	1.2
323.02023	6.7
324.02866	1.2
325.00195	1.5
325.03421	4.3
326.97766	2.9
327.01523	4.6
327.05081	1.1
328.02286	1.3
328.99426	1.9
329.03030	11.1
333.00476	1.7
335.01981	2.9
337.03601	3.4
339.01541	4.1
340.02170	2.1
340.99405	1.8
341.02991	4.8
343.01016	3.1
347.04565	1.2
348.99881	3.1
349.03622	2.8
351.01361	5.7
353.02982	7.3
355.04565	2.6
360.99927	1.1
364.02255	1.1
364.99069	1.2
365.03036	5.0
367.00916	3.4
367.04721	2.0
369.02759	1.2
371.04160	1.6
373.01947	2.0
376.99451	4.9
379.01010	2.7
381.02423	4.7
383.04211	6.3
395.00531	2.4
397.01886	2.5
399.03552	14.7
401.05069	2.6
404.98718	4.3
407.00397	2.8
409.01941	1.7
419.06262	4.5
423.00031	2.6
425.01538	28.4
432.98303	1.8
443.02533	2.9
445.04126	1.3
448.97876	1.1
450.99457	100.0
452.00067	1.2
463.05005	1.9
469.00229	1.5
481.06137	3.0
553.06232	2.0
571.07379	5.0
589.08472	2.5
597.05536	1.1
615.05902	5.9
633.07434	34.3
723.05328	6.1
783.07031	2.3
809.04761	12.0
855.05725	1.0
915.04938	2.2
917.06531	1.1
933.06415	9.8
997.06610	1.6
1023.07666	1.7
1041.08850	2.0
1067.07141	8.9
1085.07605	55.0
1086.07397	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
114.40002	0.4
125.02415	0.7
145.02945	1.4
150.55237	0.4
154.48929	0.4
157.02925	0.7
163.04050	0.6
173.02455	1.3
185.02434	1.5
195.04399	0.7
200.01241	0.7
201.01949	1.3
203.03510	0.7
207.04633	0.5
211.04141	0.6
213.02029	0.7
223.04016	1.2
226.99899	0.4
229.01411	2.9
231.03021	0.7
235.03992	0.8
239.03510	1.0
245.00981	1.4
249.04277	0.5
251.03461	2.8
257.00928	2.0
263.03528	1.3
267.02948	1.8
270.98807	1.5
275.01993	3.7
277.01468	0.8
279.02985	1.7
282.01889	0.5
283.99658	1.9
291.03024	0.6
293.01108	0.6
295.02509	4.1
298.98312	1.2
299.99127	6.2
300.99921	37.1
305.01071	0.7
307.02429	1.7
309.00333	0.6
311.01984	2.2
321.00305	2.0
322.01144	1.1
323.01984	5.4
324.99911	1.3
333.00278	0.9
334.01111	0.8
335.01987	4.7
336.99905	1.0
338.00717	3.3
339.01431	5.7
339.98596	0.5
348.99973	1.8
350.00595	1.0
351.01419	7.3
352.99207	0.6
360.99985	1.1
363.01471	1.7
366.00195	3.4
367.00928	9.0
376.99469	2.8
379.00958	8.2
392.98865	1.0
395.00452	6.6
397.02014	0.5
404.98819	3.5
405.99219	0.6
407.00519	8.4
423.00043	7.2
424.00543	0.5
425.01538	7.5
432.98370	12.6
450.99438	100.0
451.99890	1.6
469.00748	0.7
631.05798	10.5
633.07513	1.7
765.05548	0.6
783.06921	35.8
784.07355	0.9
933.06940	2.2
1085.07495	28.3
1086.06470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
76.58347	0.5
77.96610	0.6
77.97701	0.6
123.00900	0.6
125.02473	0.6
145.02986	1.8
157.02968	0.6
163.03825	0.6
164.90094	0.6
169.01500	0.9
173.02490	1.3
177.71448	0.6
185.02461	2.4
195.04436	0.7
201.01956	1.8
203.03493	0.7
212.01140	0.6
223.04024	2.1
226.99815	0.7
228.00655	1.2
229.01393	4.4
235.04060	0.9
239.03522	1.0
245.00784	0.9
251.03511	2.2
254.99316	0.6
256.00281	0.5
257.00900	3.3
263.03528	0.7
267.02930	2.6
270.98755	1.1
273.00354	0.8
275.01959	5.6
279.02966	2.4
282.01694	0.7
283.99716	2.4
295.02585	3.2
298.98450	0.6
299.99167	8.6
300.99927	40.3
305.00842	1.1
307.02518	1.7
311.01929	2.8
321.00388	2.0
322.00970	0.9
323.02014	6.8
324.99936	1.7
333.00317	1.0
334.01349	0.8
335.01968	5.1
337.00024	0.7
338.00702	4.0
339.01459	6.1
349.00037	2.5
350.00604	1.2
351.01550	6.7
352.99197	0.9
360.99896	1.3
363.01425	1.0
366.00156	1.8
367.01007	8.5
376.99350	2.4
379.01001	8.0
379.05426	1.0
392.99088	0.9
395.00513	7.4
404.98987	3.5
407.00403	8.9
422.99954	4.7
425.01584	12.4
432.98410	9.8
450.99463	100.0
451.99649	0.9
469.00668	2.8
631.05823	8.4
633.07538	2.7
723.05054	1.8
765.06244	0.8
783.06909	35.6
933.06665	2.2
1085.07642	37.6
1086.07324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
75.79126	0.4
82.27814	0.4
90.62831	0.5
95.01405	0.6
103.00400	0.7
110.86504	0.4
117.03472	0.5
123.00825	0.5
125.02454	1.2
129.03435	0.6
133.02846	0.5
145.02969	1.1
157.02905	0.7
161.02484	0.5
163.02530	0.5
163.04024	0.7
169.01424	1.5
173.02457	0.7
178.42238	0.4
185.02438	2.7
195.04578	1.0
201.01927	2.0
203.03534	0.8
207.04591	1.1
217.01332	0.9
221.02422	0.6
223.04004	1.2
226.99721	0.6
229.01424	4.1
231.02905	0.6
235.03999	1.2
239.03487	0.6
244.00105	0.5
245.00963	1.1
249.01697	0.6
249.04070	0.8
251.03461	2.3
257.00876	2.7
258.01624	0.6
263.03516	1.2
265.01474	0.7
267.02924	2.2
270.98923	1.1
275.02008	6.6
277.01428	0.7
279.03021	2.4
283.02567	1.0
283.30795	0.4
283.99512	2.2
293.00928	0.5
295.02521	4.3
298.98392	0.9
299.99139	7.8
300.99915	42.3
305.00912	1.0
307.02423	1.6
311.01880	2.3
319.26178	0.5
321.00412	1.8
322.01111	1.3
323.01959	6.5
324.99963	2.0
325.03534	0.5
333.00531	1.3
334.01233	0.9
335.01990	4.6
336.99966	1.0
338.00604	4.2
339.01505	5.6
348.99796	1.4
350.00766	1.5
351.01471	6.8
352.99338	1.1
360.99866	0.9
363.01468	1.7
366.00003	2.4
367.00955	7.8
376.99548	2.8
377.99896	0.6
379.01010	8.5
392.98883	0.8
395.00424	7.3
404.98813	4.2
405.99780	0.8
407.00424	8.9
422.99918	5.9
425.01538	12.0
432.98309	12.0
450.99442	100.0
452.00034	1.1
469.00516	1.8
481.06421	0.7
613.04572	1.7
631.05792	11.1
633.07135	3.7
723.04968	1.5
783.06903	38.2
784.07050	0.6
896.50696	0.5
933.06708	2.4
1009.41730	0.6
1085.07629	33.2
1086.07288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01385	2.8
103.05622	1.0
107.01405	1.8
107.40578	0.9
117.03458	1.5
119.05053	1.6
123.00923	5.8
124.01650	1.8
125.02456	10.1
129.03546	1.1
131.05048	1.7
132.02180	1.2
133.02997	2.0
135.04570	1.2
143.05020	1.6
144.02194	1.3
145.02966	8.2
147.04506	5.1
149.02446	1.0
157.02959	3.2
158.03764	1.5
159.04562	4.4
160.01721	1.7
161.02441	4.0
163.00412	1.2
163.03978	4.9
164.01152	1.3
164.04826	1.1
169.00226	1.2
169.01453	7.2
169.02878	1.8
171.00841	1.6
171.04512	3.5
172.01697	1.6
173.02483	7.6
174.03198	1.8
175.03937	5.2
176.01274	1.0
177.01958	4.4
183.04578	1.9
185.02444	7.1
187.00465	0.9
187.04031	6.3
188.01215	1.9
189.01967	5.5
190.02704	8.1
190.99873	1.1
191.03494	7.7
193.01428	3.9
197.02441	2.5
199.00391	1.3
199.04034	2.9
200.01183	6.6
201.01965	13.8
202.02679	4.0
203.03516	12.8
205.01468	2.1
205.05173	1.2
211.04109	1.7
213.01921	4.3
214.02689	4.6
214.99959	2.0
215.03494	7.2
216.00684	3.6
217.01405	6.7
218.02257	4.1
218.99356	1.2
219.02986	3.9
225.01987	3.1
226.02792	1.4
226.99954	2.2
227.03502	8.0
228.00642	6.4
229.01404	22.7
229.04938	1.2
230.02133	3.6
231.02983	13.0
235.04021	1.3
239.03539	1.8
241.01439	3.8
242.02303	3.4
242.99329	2.4
243.02977	9.2
244.00168	4.0
245.00946	13.8
246.01717	1.9
247.02434	8.3
248.03191	6.7
249.04018	13.2
253.01376	8.2
253.05083	1.2
254.02235	1.2
255.03038	5.0
257.00937	20.6
258.01706	13.6
259.02441	8.2
261.00464	1.1
265.05032	2.1
267.03101	1.4
269.00882	4.5
270.01764	1.5
270.98911	8.1
271.02505	11.2
271.99753	2.9
272.03247	3.2
273.00461	17.7
273.03958	2.5
274.01205	33.6
275.01993	100.0
276.02542	1.1
281.00949	4.9
281.04300	1.6
282.01773	2.1
282.98889	1.6
283.02505	2.9
283.99701	11.3
285.00458	13.4
285.03674	1.6
286.01260	4.3
287.02063	8.8
288.02719	10.0
289.00140	1.1
289.03424	1.9
291.01614	4.0
293.04614	2.5
295.02472	1.5
297.00562	5.0
297.03616	1.2
298.01138	6.1
298.98447	11.9
299.01926	71.8
299.99203	31.7
300.02649	5.1
300.99921	58.1
301.03537	17.3
302.00589	2.5
303.01474	40.1
304.02191	1.3
309.00598	1.2
309.04132	3.4
311.02023	4.6
312.02695	1.7
312.99905	5.3
313.03601	2.4
314.00735	7.8
315.01541	7.6
316.02179	1.2
316.99548	1.1
317.03018	14.1
319.02682	2.1
323.01846	1.3
324.99918	1.4
325.03339	2.4
327.01523	9.1
327.04965	1.8
328.02414	2.0
328.99307	3.2
329.03094	14.3
330.00232	1.2
335.02161	1.6
337.03546	2.9
340.02350	3.8
340.99374	2.1
341.03003	4.0
342.03854	0.9
343.00912	2.8
347.04358	1.5
349.03552	3.0
351.05118	1.1
353.02982	2.8
355.04642	2.2
365.02975	8.2
366.04022	1.0
367.04440	2.3
371.04028	2.7
373.05838	1.6
383.04056	5.5
389.05194	1.2
399.03741	2.2
401.05301	2.7
419.06348	3.6
425.01541	15.8
427.02673	1.0
437.07098	1.9
463.05170	1.9
481.06528	4.5
553.05951	1.1
571.07690	7.4
573.05103	2.8
589.08240	2.0
615.06592	6.6
631.05524	2.2
632.06982	1.7
633.07373	63.0
634.08490	1.2
649.28296	1.1
659.05273	8.2
697.06989	1.7
757.08911	2.1
779.02557	1.0
782.05542	1.4
783.06769	8.1
789.49176	1.0
872.07776	1.1
873.07745	1.8
891.09161	1.2
907.08807	2.1
915.05200	3.0
917.06964	3.7
918.07947	1.4
933.06561	9.2
934.07251	20.5
935.08069	46.3
997.09418	3.1
1041.08704	3.2
1059.09644	53.1
1060.11182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
92.44675	0.2
95.01388	1.0
96.96997	0.3
106.80339	0.3
107.01411	0.6
117.03484	1.3
119.01421	0.3
119.05045	0.5
123.00920	1.9
125.02464	1.7
129.03488	0.6
132.02220	0.5
133.02953	1.3
135.04553	0.5
137.02432	0.3
145.02975	4.0
147.04523	1.5
148.01659	0.4
156.02248	0.3
157.03023	1.5
159.04530	1.0
160.01677	0.9
161.02473	1.5
162.03278	0.3
163.00394	0.5
163.04082	1.8
165.01964	0.3
166.99922	0.3
169.01534	1.9
171.00830	1.3
172.01663	2.1
173.02452	4.4
174.03236	0.6
175.04021	2.3
176.01190	0.3
177.01949	1.0
179.03618	0.3
184.01759	0.4
185.02454	4.7
187.00383	0.5
187.04036	0.6
188.01216	0.3
189.01935	2.8
190.02699	2.5
191.03519	2.2
199.00414	1.3
200.01166	2.5
201.01950	6.8
202.02711	0.6
203.03532	3.4
205.01305	0.4
213.01933	1.0
214.02718	0.4
214.99899	1.1
215.03525	0.3
216.00684	1.8
217.01445	3.0
218.02165	1.4
219.03044	0.9
226.99892	2.2
228.00656	2.0
229.01437	13.9
230.02167	1.9
231.02965	3.0
233.00893	0.6
241.01492	0.4
242.99451	1.5
244.00201	2.1
245.00917	6.0
246.01656	1.1
247.02477	3.1
248.03291	1.1
249.04066	3.3
254.99367	1.3
256.00143	0.7
257.00937	7.4
258.01715	1.7
261.00443	0.8
270.98895	3.7
271.99597	1.5
273.00488	4.0
274.01227	5.0
275.02011	16.1
282.98752	0.4
283.99646	5.8
285.00409	2.5
290.98520	0.4
291.01520	1.3
297.03909	0.4
298.98361	4.8
299.01758	0.5
299.99146	20.1
300.99921	100.0
302.00311	1.0
310.95535	0.3
401.77005	0.3
425.01450	4.1
445.04224	1.0
450.99487	1.3
461.03659	0.6
462.04962	0.4
463.05432	0.8
481.06232	0.5
553.05499	0.3
587.06647	0.5
603.06061	0.7
605.08215	1.2
612.94995	0.4
613.04828	6.0
614.05585	1.2
631.05756	2.2
632.06512	6.1
633.07422	12.9
634.87109	0.3
757.08984	8.6
765.07080	0.4
769.49329	0.4
780.55206	0.3
783.06787	0.5
874.85333	0.3
889.07019	0.3
897.04541	4.3
898.05518	0.5
907.08398	2.1
915.05408	2.4
916.05402	1.5
933.06342	1.6
934.07275	6.1
935.08087	17.6
936.09381	0.6
1059.09753	13.8
1060.11438	0.4
1085.07910	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	1103.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01921	2.1
85.62684	1.5
95.01412	7.5
99.04742	1.4
107.01405	3.4
111.05669	1.5
115.05556	2.5
117.03471	6.2
119.05002	3.8
119.49646	1.5
123.00904	18.0
124.01665	6.6
125.02468	16.9
129.03481	2.6
131.05032	6.0
132.02184	3.1
133.02983	5.6
135.04555	4.4
137.02463	1.8
143.05054	3.8
145.02975	11.9
147.04535	10.4
149.02448	4.9
151.04080	1.7
153.07083	1.6
157.02939	7.1
158.03706	3.4
159.04539	9.7
160.01649	3.3
161.02440	9.0
162.03236	1.5
163.00410	2.8
163.04044	10.6
164.01172	3.8
164.04787	4.9
165.01917	2.0
165.07120	2.7
166.99890	1.7
167.04895	1.6
169.01529	7.7
169.02809	2.8
169.06561	1.9
171.00928	3.7
171.04509	6.7
172.01700	3.3
173.02451	13.2
174.03247	3.9
175.00359	3.3
175.04016	15.9
177.01961	10.6
181.06578	2.4
185.02521	10.2
186.03265	2.9
187.00389	3.3
187.04004	8.7
188.01138	3.7
189.01936	14.7
190.02710	11.5
191.03522	21.7
192.00725	2.0
193.01405	2.9
193.06573	4.3
197.02423	4.4
197.06091	1.8
199.00310	2.7
199.03970	6.6
200.01134	7.9
201.01973	21.2
202.02756	3.8
203.03534	23.9
205.01437	5.7
209.06079	4.8
213.01933	14.4
214.02701	5.1
214.99911	2.5
215.03557	9.2
216.00604	6.2
217.01425	13.1
218.02286	8.6
218.03940	1.6
219.02924	9.7
219.04758	1.8
221.06061	5.0
225.01949	5.8
225.05637	3.3
226.02875	2.7
226.99829	5.2
227.03476	9.6
228.00688	6.8
229.01443	35.2
230.02101	7.2
231.02971	24.3
233.00856	2.5
233.04240	2.1
235.04163	3.6
237.05513	7.0
239.03394	2.4
241.01421	4.8
241.05196	1.8
242.02219	3.7
242.99371	5.6
243.02962	17.4
244.00131	8.6
245.00934	27.0
246.01633	2.4
247.02377	26.8
248.03203	32.7
249.03967	55.1
253.01399	8.6
253.05205	3.6
253.19562	2.0
254.05258	1.6
255.03008	5.3
256.00015	2.6
257.00925	23.4
258.01706	12.7
259.02469	9.4
259.91425	1.9
261.00363	6.1
263.03506	2.1
264.04303	2.8
265.05035	7.1
267.02957	4.0
269.00919	7.7
269.04517	2.0
270.01657	2.0
270.98877	7.4
271.02463	16.6
271.99655	5.0
272.03091	2.5
273.00458	30.0
273.03650	3.4
274.01218	42.6
275.01947	76.8
277.05042	2.9
279.02835	3.6
280.03735	2.2
281.00912	8.9
281.04492	6.7
282.01678	6.0
282.99197	2.1
283.02423	3.5
283.99622	7.0
284.03207	1.7
285.00473	16.6
286.01086	5.2
287.01920	13.6
288.02740	4.9
288.99829	7.3
290.00735	10.0
291.01401	22.6
292.03726	1.9
293.04739	8.1
295.02579	2.2
295.06052	1.9
297.00388	10.0
298.01187	12.0
298.98407	20.1
299.01907	100.0
299.99185	43.5
300.02756	5.6
300.99878	88.9
301.03528	16.8
303.01428	21.6
307.02380	2.5
308.03510	2.8
309.04004	11.6
311.01880	5.5
312.02704	2.1
313.00006	20.4
313.03415	2.8
314.00635	14.1
315.01498	31.0
316.99561	2.5
317.02963	10.0
319.02283	5.6
320.03391	2.1
321.04034	10.7
323.02014	4.0
324.99976	3.2
325.03467	3.6
327.01624	16.4
328.02057	3.7
328.99396	2.8
329.02893	13.6
337.00034	2.1
337.03574	12.5
339.05246	3.7
340.99408	23.4
341.03012	5.0
343.00992	29.4
347.01990	3.2
348.02682	3.7
349.03580	33.0
351.05020	7.8
353.02917	5.0
355.04468	3.8
363.01651	2.9
364.02316	2.8
365.03046	27.7
366.03940	9.1
367.00586	2.3
367.04654	25.8
371.04190	6.4
373.05710	17.1
381.02469	5.6
383.04013	23.8
385.05695	3.1
399.03754	8.5
401.05090	3.7
409.01880	5.2
413.01294	3.8
415.03040	10.4
417.04617	5.1
419.06091	4.0
425.01547	10.6
450.99277	5.6
461.03503	3.8
463.05322	2.3
489.04437	4.1
553.03192	7.4
554.03125	2.4
555.06879	2.0
569.05530	2.3
571.07465	15.3
572.04504	4.9
573.05072	22.3
597.05835	1.9
613.05524	2.3
615.06403	7.6
617.07324	3.2
633.07593	13.9
659.06091	2.1
687.06793	2.0
697.07111	20.0
757.08521	2.2
765.06598	2.3
783.07294	5.1
845.07666	2.4
855.08344	8.2
871.06213	3.5
872.06848	9.6
873.08502	14.9
889.07458	1.9
899.05933	2.5
907.07758	12.0
915.05347	3.1
916.05951	3.9
917.07025	34.3
933.06122	2.7
934.06689	7.5
935.08148	15.4
979.07910	4.9
997.09821	26.3
1041.08533	56.9
1042.07544	2.4
1059.09607	11.9
1085.06299	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	1103.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
92.44675	0.2
95.01388	1.0
96.96997	0.3
106.80339	0.3
107.01411	0.6
117.03484	1.3
119.01421	0.3
119.05045	0.5
123.00920	1.9
125.02464	1.7
129.03488	0.6
132.02220	0.5
133.02953	1.3
135.04553	0.5
137.02432	0.3
145.02975	4.0
147.04523	1.5
148.01659	0.4
156.02248	0.3
157.03023	1.5
159.04530	1.0
160.01677	0.9
161.02473	1.5
162.03278	0.3
163.00394	0.5
163.04082	1.8
165.01964	0.3
166.99922	0.3
169.01534	1.9
171.00830	1.3
172.01663	2.1
173.02452	4.4
174.03236	0.6
175.04021	2.3
176.01190	0.3
177.01949	1.0
179.03618	0.3
184.01759	0.4
185.02454	4.7
187.00383	0.5
187.04036	0.6
188.01216	0.3
189.01935	2.8
190.02699	2.5
191.03519	2.2
199.00414	1.3
200.01166	2.5
201.01950	6.8
202.02711	0.6
203.03532	3.4
205.01305	0.4
213.01933	1.0
214.02718	0.4
214.99899	1.1
215.03525	0.3
216.00684	1.8
217.01445	3.0
218.02165	1.4
219.03044	0.9
226.99892	2.2
228.00656	2.0
229.01437	13.9
230.02167	1.9
231.02965	3.0
233.00893	0.6
241.01492	0.4
242.99451	1.5
244.00201	2.1
245.00917	6.0
246.01656	1.1
247.02477	3.1
248.03291	1.1
249.04066	3.3
254.99367	1.3
256.00143	0.7
257.00937	7.4
258.01715	1.7
261.00443	0.8
270.98895	3.7
271.99597	1.5
273.00488	4.0
274.01227	5.0
275.02011	16.1
282.98752	0.4
283.99646	5.8
285.00409	2.5
290.98520	0.4
291.01520	1.3
297.03909	0.4
298.98361	4.8
299.01758	0.5
299.99146	20.1
300.99921	100.0
302.00311	1.0
310.95535	0.3
401.77005	0.3
425.01450	4.1
445.04224	1.0
450.99487	1.3
461.03659	0.6
462.04962	0.4
463.05432	0.8
481.06232	0.5
553.05499	0.3
587.06647	0.5
603.06061	0.7
605.08215	1.2
612.94995	0.4
613.04828	6.0
614.05585	1.2
631.05756	2.2
632.06512	6.1
633.07422	12.9
634.87109	0.3
757.08984	8.6
765.07080	0.4
769.49329	0.4
780.55206	0.3
783.06787	0.5
874.85333	0.3
889.07019	0.3
897.04541	4.3
898.05518	0.5
907.08398	2.1
915.05408	2.4
916.05402	1.5
933.06342	1.6
934.07275	6.1
935.08087	17.6
936.09381	0.6
1059.09753	13.8
1060.11438	0.4
1085.07910	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	1105.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.5
83.05026	0.8
85.02956	0.6
87.00887	8.3
89.02444	1.3
91.78638	0.3
95.01395	0.3
96.96030	0.6
97.02962	0.4
101.02435	1.4
107.51789	0.3
111.00941	0.4
113.02444	0.9
115.00322	0.4
119.04955	0.3
120.15900	0.3
121.02975	0.7
122.03789	1.5
123.00887	0.3
123.04555	0.6
123.08252	0.3
125.02428	0.8
130.99886	1.8
133.01407	0.4
135.04543	0.4
137.02435	0.5
139.04062	0.5
146.03763	3.3
147.04561	3.6
148.05225	0.6
149.02411	0.8
149.06104	0.4
150.03212	0.5
159.04510	2.2
160.00026	0.3
160.05318	1.0
161.06137	1.5
162.03232	0.4
162.06853	0.9
163.04008	0.8
163.11295	0.6
164.04768	0.4
169.01376	0.5
171.04495	0.3
172.05321	1.8
173.02374	0.3
173.06082	1.8
174.03244	1.5
174.06815	0.4
175.04041	3.5
175.07668	0.6
179.05569	0.4
183.13829	0.5
185.06062	0.7
186.06865	1.5
187.04001	1.0
187.07658	0.7
188.04790	2.0
189.05588	2.0
190.06363	8.8
196.05351	0.4
197.05980	0.4
198.06873	0.5
199.03973	0.5
200.04842	3.5
200.08333	0.4
201.05556	0.9
209.11847	6.4
211.13403	2.4
213.05655	0.6
214.06374	0.6
215.07031	0.5
216.07942	1.2
221.06674	0.9
241.12326	0.3
243.13948	0.4
245.11806	0.7
254.04413	0.4
255.13928	0.6
259.13351	0.6
259.87906	0.3
269.15628	0.4
271.13440	5.8
273.15082	0.4
275.01770	0.4
281.15216	0.3
283.13419	1.0
285.14993	1.1
287.13266	0.6
287.16650	1.4
289.14490	2.5
297.14978	6.2
299.12991	1.9
299.15875	0.3
299.99380	0.4
300.13623	0.5
300.99924	1.0
301.14526	0.6
304.58972	0.3
311.12845	1.0
313.14465	2.2
313.17877	0.6
313.77594	0.3
315.16028	27.0
317.13992	0.8
323.16550	1.6
325.14453	7.7
331.15521	0.7
333.17090	6.0
339.15939	1.0
341.13873	0.8
341.17618	2.5
343.15463	4.3
349.14160	0.4
351.12497	0.4
357.17197	2.3
359.18661	0.4
361.16629	0.4
367.15543	1.1
369.13354	0.4
375.18219	0.6
385.16635	0.7
395.13965	0.7
513.80603	0.4
741.30768	0.4
983.45551	0.6
995.40979	0.8
1011.44568	0.5
1013.42474	0.7
1037.42346	1.1
1045.44873	1.5
1055.42639	0.4
1069.44702	0.5
1073.44507	9.2
1087.46082	1.6
1105.47168	100.0
1106.46741	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01870	4.0
62.13016	0.9
67.01900	91.0
68.02225	3.6
78.95911	4.1
83.01410	10.0
85.02906	1.6
111.00896	100.0
111.04502	1.0
112.01247	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	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	100.0
72.36076	1.4
74.89037	1.7
78.86790	1.6
92.33595	1.7
111.00893	88.8
112.01249	3.0
121.00356	1.5
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
54.17935	1.7
55.01888	14.9
57.03453	43.2
64.84541	1.8
67.01898	3.4
70.02030	5.5
70.03634	1.8
71.01376	3.4
71.27911	1.9
83.01393	6.2
84.02171	19.5
85.02959	100.0
86.03310	3.7
95.01413	2.2
103.73656	2.1
113.02484	15.8
114.05620	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17935	1.7
55.01888	14.9
57.03453	43.2
64.84541	1.8
67.01898	3.4
70.02030	5.5
70.03634	1.8
71.01376	3.4
71.27911	1.9
83.01393	6.2
84.02171	19.5
85.02959	100.0
86.03310	3.7
95.01413	2.2
103.73656	2.1
113.02484	15.8
114.05620	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03457	1.8
84.66376	1.4
85.02961	13.6
87.00883	11.7
87.51503	1.5
93.03480	2.2
95.01402	12.8
97.02969	5.5
100.15974	1.5
107.01362	2.9
109.02969	4.8
111.00862	3.0
113.02437	4.4
117.03458	5.1
119.05044	3.8
123.00903	16.8
123.85415	1.4
124.01688	3.3
125.02458	21.3
127.04055	3.9
129.03517	3.7
131.05009	3.3
132.02141	3.6
133.02931	5.2
135.04501	2.6
137.02435	3.7
139.00394	4.4
141.03502	2.4
143.05013	2.1
145.02969	15.1
146.03694	2.2
147.00880	2.1
147.04547	7.4
149.02399	2.4
150.03177	1.3
157.01544	2.2
157.02956	8.0
158.03760	3.1
159.00908	3.7
159.04552	8.7
160.01671	6.1
161.02489	11.6
163.00371	3.3
163.04025	7.7
164.01160	1.9
166.99788	2.4
169.01431	10.8
169.02962	4.0
171.00867	4.4
171.04495	3.7
172.01685	3.9
173.02449	15.3
174.03206	3.7
175.00429	1.7
175.02492	4.6
175.04019	13.3
176.01218	4.0
177.01909	7.9
179.03543	3.2
183.04543	1.6
184.01657	2.7
185.02458	14.3
187.00441	10.4
187.03979	6.5
188.01143	7.6
189.01920	15.9
190.02698	12.3
191.03540	15.9
193.01410	2.1
197.02423	3.4
197.06102	2.5
199.00389	4.9
199.02347	3.2
199.04086	2.5
200.01251	8.1
200.04649	1.5
201.01935	24.5
201.99123	2.8
202.02701	5.3
202.99825	2.9
203.03529	19.6
204.36177	1.8
205.01363	5.0
207.04482	1.8
211.04170	2.5
213.01953	20.5
214.02684	5.5
214.99884	15.6
215.03453	5.8
216.00609	11.3
217.01485	24.0
217.03433	2.8
218.02168	6.3
218.99312	2.7
219.02951	5.8
221.04402	1.9
225.01973	4.2
225.05522	1.7
226.99886	6.0
227.03496	4.7
228.00749	9.1
229.01430	47.2
229.04976	2.3
230.02232	10.2
230.99460	7.8
231.02985	28.7
232.00108	3.3
233.00992	3.1
237.05611	2.6
239.03561	1.7
241.01439	19.4
242.02235	6.0
242.99377	10.3
243.03003	9.5
244.00127	6.1
245.00912	28.4
246.01595	5.4
247.02443	23.6
248.03268	26.8
249.01434	2.9
249.04041	51.5
251.03513	2.5
253.01840	1.8
253.04976	3.5
254.02113	1.7
254.99336	4.1
255.02988	4.4
256.00159	3.0
256.03830	2.9
257.00916	25.0
257.04630	3.6
258.01715	15.1
258.98880	9.6
259.02402	14.7
259.99680	14.2
261.00397	11.4
269.00934	24.9
269.03909	2.7
270.98849	16.9
271.02457	9.6
271.99576	7.2
272.02716	1.7
273.00446	35.3
273.03586	3.2
274.01205	28.7
275.01978	70.2
279.02908	3.0
281.04514	3.9
282.98822	3.7
283.02380	4.6
283.99750	11.0
285.00443	25.7
285.03729	3.6
286.01190	2.6
286.98358	11.6
287.02005	8.1
288.99866	4.7
290.00574	4.9
291.01501	14.2
297.00534	23.0
297.03717	3.4
297.97687	2.0
298.98370	29.7
299.01859	4.2
299.99118	44.0
300.99936	100.0
301.03458	4.5
303.01398	10.3
309.04080	4.6
313.00070	8.6
313.03238	2.6
314.98001	2.4
315.01416	21.2
316.99380	2.2
320.03308	2.4
321.04031	3.1
323.01971	2.2
325.03506	3.4
327.01242	3.0
328.99390	4.7
329.02884	4.8
331.00934	8.0
335.01782	2.5
337.03427	4.4
339.04935	2.1
340.99417	25.1
345.02261	2.0
347.00305	3.4
353.02951	4.2
355.04578	3.3
359.00534	8.8
363.01498	4.6
373.01736	8.1
373.05786	5.8
381.02460	2.0
387.09311	3.2
397.06171	2.8
399.03592	17.3
405.10370	2.2
407.00537	2.0
425.01550	28.5
461.03207	2.1
485.24570	1.8
553.02423	5.3
554.03229	2.5
569.05731	4.7
573.05261	32.6
587.06348	3.5
603.06262	6.1
631.05444	3.5
633.06812	2.2
645.07214	8.0
663.08478	6.1
697.06903	24.0
709.18054	3.6
727.19373	11.1
809.05847	2.0
825.05255	2.9
851.03668	2.4
859.09198	2.2
869.05011	2.9
871.05872	7.3
876.77716	1.8
889.07544	3.9
901.06665	2.3
903.08771	18.2
913.04138	3.2
919.07709	1.9
921.09711	2.4
931.04443	3.4
933.05414	5.9
935.08270	3.6
945.06384	5.1
947.07916	10.4
951.09161	2.1
963.07501	2.5
965.09125	37.0
995.07440	8.9
1027.10547	4.2
1029.25049	2.4
1057.07703	3.3
1071.09827	7.2
1089.10657	50.2
1115.29736	5.0
1133.30188	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	1137.7461
Annotation	Unknow
Peak:m/z	Relative Intensity
92.92638	0.0
123.62600	0.1
127.54358	0.0
145.82135	0.0
276.99872	0.0
277.02969	0.0
300.99829	0.1
363.27072	0.1
367.35211	0.0
373.60577	0.0
377.28445	0.0
379.30188	0.2
391.30118	0.1
393.31616	0.1
407.29837	0.1
409.31158	0.6
421.31387	0.1
480.05176	0.1
487.34323	100.0
488.34674	1.3
649.39343	0.2
975.68896	0.1
1045.85608	0.1
1137.74548	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	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
69.55766	6.5
71.01389	100.0
71.05017	2.7
84.00380	2.3
84.87220	2.3
85.58778	2.0
115.00392	7.6
120.55694	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	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
54.39436	0.3
55.01871	0.9
55.82073	0.2
62.37546	0.2
69.30682	0.6
69.31071	0.5
73.02952	100.0
74.03293	3.4
94.23483	0.2
99.00891	8.0
99.92609	0.3
116.92870	1.0
117.01955	10.3
118.02316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91025	0.3
55.01870	0.9
56.14376	0.3
63.10883	0.3
70.80880	0.4
73.02952	100.0
74.03285	3.1
99.00887	8.3
99.92596	3.0
116.92875	6.4
117.01952	12.4
118.02216	0.3
138.48726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00610	0.4
83.01395	0.3
85.02969	0.5
86.00092	0.2
87.00869	0.2
89.02449	0.2
95.01395	0.6
97.02981	0.5
98.22675	0.5
101.02462	0.6
101.56307	0.1
107.01402	4.6
109.02973	0.3
110.00083	0.3
111.00887	1.5
111.04537	0.2
113.02477	0.6
119.05071	0.2
121.02958	0.4
121.06619	0.3
123.00896	4.6
123.04490	0.1
124.01665	10.6
125.02458	24.5
127.00387	0.4
136.98811	0.9
137.02490	0.8
137.09749	1.2
139.00391	1.9
139.04045	0.8
140.01180	2.5
141.01942	0.6
149.02452	0.3
151.00401	2.6
151.01591	0.3
152.01195	0.4
152.04730	0.2
153.01971	0.2
154.99854	0.3
163.00380	0.1
165.01961	1.0
166.02725	1.6
166.99847	0.2
167.03514	1.6
168.00658	13.9
169.01439	35.9
170.01784	0.1
181.01506	0.1
181.05090	1.9
183.02962	0.6
187.03862	0.1
193.01436	0.4
211.02492	66.3
212.02760	0.2
241.03545	2.1
271.04611	100.0
272.04865	0.2
295.04623	0.1
331.06726	30.7
387.05203	0.1
387.10745	0.4
402.13242	0.4
417.15585	3.6
471.31241	0.2
516.30914	0.2
521.20300	88.2
522.20508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51341	0.4
70.75299	0.8
74.29914	0.4
81.23148	0.4
81.66533	0.4
91.05554	1.7
93.03465	3.9
93.77425	0.4
94.81339	0.3
95.20900	0.4
117.03484	0.9
119.05039	100.0
120.04521	0.7
120.05355	6.7
135.60335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
71.01396	1.4
71.41080	1.0
72.51420	0.9
74.21223	1.0
74.21767	0.9
84.05897	1.0
89.03339	1.0
91.05549	5.1
94.82921	0.9
101.01350	1.1
101.03982	50.0
101.92419	1.1
102.04324	2.3
117.03484	27.7
118.03835	1.9
118.92704	2.9
118.96542	2.1
119.02638	5.1
119.05043	100.0
120.04594	1.8
120.05375	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	1191.6179
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	2.1
83.05030	3.9
85.02945	6.7
87.00851	0.9
89.02457	6.6
95.01397	2.4
97.70964	0.6
99.00948	0.8
101.02457	12.4
101.84600	0.7
113.02462	13.5
119.03523	4.0
125.02457	1.0
131.03473	1.1
135.08185	0.7
143.03532	1.3
161.04570	4.0
163.11301	3.6
165.12846	2.1
171.10294	1.0
179.05615	1.9
181.12321	0.6
209.11850	100.0
227.12897	12.3
235.08228	1.2
253.09325	3.7
257.00946	0.8
289.90012	0.6
300.99973	3.0
320.78592	0.6
381.22867	37.0
382.70667	0.6
399.23895	25.6
441.24985	39.1
445.20908	4.8
458.62393	0.7
596.40515	0.7
634.88416	0.8
637.32520	1.2
655.33624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.976
Annotation	Sulfoacetaldehyde
Peak:m/z	Relative Intensity
51.02167	1.7
64.97037	2.8
69.35323	7.7
70.83807	1.5
79.95743	100.0
80.90372	1.6
94.98097	33.3
95.01389	3.6
122.71851	1.6
122.97591	29.7
123.00900	2.7
123.90188	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	125.0246
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
51.89668	1.3
61.96500	1.2
63.38843	1.1
66.03499	1.0
67.01884	1.1
67.03831	3.7
69.03465	21.8
70.03017	1.1
70.37724	1.2
70.88550	2.0
79.01900	4.3
81.03455	10.1
82.02981	1.9
83.01395	2.6
94.19930	1.2
95.01406	1.7
95.03321	7.3
96.99307	9.9
97.02955	17.3
97.04899	1.8
119.10904	1.2
124.01679	2.2
124.98829	4.9
125.02461	100.0
125.03442	3.1
125.04343	5.6
125.06110	3.6
126.01998	2.2
126.02828	4.4
126.05636	1.5
132.01341	1.1
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
56.09601	2.7
59.01394	15.1
69.59295	10.4
69.59633	2.8
71.01396	6.6
71.61717	2.3
98.21846	4.6
109.06604	10.9
114.93620	2.7
118.20567	2.6
126.90458	8.6
127.00383	3.4
127.07667	100.0
128.03534	15.0
128.08041	6.9
137.05186	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.9
57.03435	4.3
58.25879	1.9
67.01900	17.0
67.88845	2.0
68.99830	3.1
70.89103	1.8
71.01381	2.4
82.02995	3.9
85.02961	100.0
99.00878	2.7
128.03555	91.4
128.07190	90.8
128.90163	2.3
129.01959	7.9
129.03894	4.7
129.07558	3.5
141.94592	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	129.0196
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
69.71492	3.8
69.71832	1.2
85.02961	100.0
86.03300	3.5
96.07442	1.0
98.43726	1.1
123.29931	1.2
129.01936	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	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01881	10.6
57.03456	39.5
58.88888	3.7
67.01896	100.0
68.99819	5.0
70.79147	7.2
71.01375	7.6
72.99322	5.0
73.02972	5.0
83.01389	4.6
85.02962	37.7
87.00884	3.7
108.20761	3.5
108.30338	3.7
128.90121	5.0
129.01955	20.8
139.71182	3.7
140.58603	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71492	3.8
69.71832	1.2
85.02961	100.0
86.03300	3.5
96.07442	1.0
98.43726	1.1
123.29931	1.2
129.01936	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	130.0876
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.03440	2.2
67.67136	1.0
69.03443	2.0
69.25511	1.8
69.25918	3.4
76.79616	1.0
77.48148	0.8
82.06604	1.2
84.08179	2.3
85.02967	2.5
86.22218	0.9
87.04522	63.8
88.04068	0.9
113.02468	3.2
122.39137	0.8
130.08751	100.0
131.03535	8.0
131.09140	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	131.0352
Annotation	Methylsuccinic acid
Peak:m/z	Relative Intensity
57.03460	2.0
59.01381	0.5
69.03471	2.1
69.26183	2.3
71.01376	0.5
71.33492	0.4
73.02942	1.2
78.47182	0.4
79.05797	0.4
85.02963	2.8
87.04522	100.0
88.04854	3.8
99.79269	0.4
113.02454	6.1
125.29735	0.4
131.03517	14.2
131.09068	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	131.0352
Annotation	(S)-2-Acetolactate
Peak:m/z	Relative Intensity
51.77739	5.2
53.91415	4.8
57.03453	70.1
59.01376	17.1
62.28451	4.8
68.99842	7.1
69.03462	34.3
71.01389	16.2
73.02948	32.5
75.00866	10.6
79.82716	5.4
85.02958	100.0
85.06590	13.6
87.04527	94.1
108.76568	5.2
113.02475	20.1
130.88951	14.2
131.03534	37.6
131.07098	7.6
132.04617	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	131.0352
Annotation	Methylsuccinic acid
Peak:m/z	Relative Intensity
57.03433	1.0
69.03465	1.9
69.65909	2.1
71.01362	0.5
73.42970	0.4
74.43205	0.4
76.73670	0.5
82.31622	0.5
85.02966	1.5
87.04523	100.0
88.04859	4.0
94.02911	0.6
98.22576	0.7
104.29079	0.5
105.15897	0.5
113.02457	5.8
131.03519	13.1
131.08290	1.1
132.03804	0.7
148.23602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0305
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
59.01379	1.9
61.93791	0.2
64.15771	0.2
70.76000	0.2
71.01388	81.5
72.00921	0.4
72.99314	18.7
85.37270	0.2
87.00879	1.1
88.04049	14.0
89.02451	8.2
89.04380	0.4
99.25710	0.2
102.10797	0.2
114.02003	0.5
115.00385	100.0
116.00735	0.2
132.03038	2.6
132.08620	0.2
132.86794	0.9
133.01443	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
54.82170	0.8
57.03442	1.2
59.01368	2.2
59.70095	0.7
61.14403	0.6
70.55162	1.8
71.01388	83.9
72.01720	2.8
72.99315	21.9
87.00882	1.2
87.04514	1.5
88.02813	0.7
89.02457	8.1
115.00387	100.0
116.00725	4.4
133.01445	21.4
133.05106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01381	2.1
69.42210	2.6
70.58920	0.7
70.98930	0.6
71.01388	88.9
71.74335	0.7
72.01725	2.2
72.99313	20.6
74.92300	0.7
77.03979	2.6
77.70995	0.7
87.00886	1.4
87.33798	0.6
89.02459	8.8
94.16196	0.7
95.05040	3.3
105.03478	7.1
115.00385	100.0
116.00728	3.3
123.04617	0.7
132.02177	1.5
133.01442	20.2
133.02937	5.5
141.36931	0.7
146.19139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31043	0.7
58.81009	0.7
59.01384	1.8
71.01387	85.4
72.01722	2.4
72.99313	19.7
72.99712	1.4
77.03955	1.0
87.00874	1.8
89.02444	8.0
90.29185	0.9
95.05015	1.2
98.27538	0.8
105.03482	3.4
110.37734	0.7
115.00384	100.0
116.00708	4.0
133.01443	23.4
133.02921	5.2
134.01830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01389	1.7
66.58133	0.5
71.01386	77.5
72.01728	2.0
72.98901	0.9
72.99314	17.5
75.55139	0.6
87.00901	1.3
89.01927	1.0
89.02448	9.2
90.27884	0.5
94.05365	0.5
115.00381	100.0
116.00716	3.7
132.02232	0.6
133.01450	21.0
133.02959	0.9
134.01779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
52.46603	0.4
52.90512	0.4
57.03445	2.1
59.01382	3.0
60.19190	0.4
63.72544	0.4
68.38393	0.4
70.55013	0.7
71.01387	100.0
72.01738	2.8
72.99322	8.6
85.02938	0.7
87.00884	17.0
87.04519	7.7
88.01243	0.4
89.02454	16.8
90.02763	0.7
90.97918	0.4
103.04025	0.7
105.03448	0.5
107.03648	0.5
115.00384	50.2
116.00714	2.0
118.52193	0.4
129.69540	0.4
132.86797	1.1
132.90021	1.0
133.01451	10.2
133.05081	28.8
134.04698	1.2
134.05518	0.8
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
57.03422	0.8
59.01384	2.5
69.89883	1.8
69.90228	1.3
71.01389	94.5
72.01724	3.0
72.99318	20.9
82.67073	0.8
87.00883	4.6
87.04522	1.7
88.29004	0.8
89.02454	9.0
89.90080	0.9
98.22585	1.1
101.68445	0.7
115.00386	100.0
116.00732	3.7
132.90042	2.9
133.01447	20.8
133.02968	1.4
133.05052	5.4
134.01741	1.3
134.04700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0509
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
50.58386	0.3
57.03450	1.5
59.01385	2.4
69.88934	1.2
71.01388	100.0
72.01727	2.6
72.99314	9.8
85.02966	0.8
87.00885	17.1
87.04519	7.3
88.01211	0.4
89.02451	17.0
90.02776	0.6
98.21918	0.5
103.04005	0.3
105.03427	0.5
107.03669	0.5
115.00384	52.1
116.00720	1.9
132.86768	0.7
132.90036	1.7
133.01456	10.0
133.02985	0.9
133.05086	27.5
134.01802	0.4
134.04572	1.6
134.05450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59653	3.3
69.27174	3.2
71.01395	38.2
71.43637	3.7
72.99323	4.1
74.28550	3.3
87.00880	6.1
87.04546	5.6
88.23666	3.0
89.02437	4.6
91.05544	100.0
92.05879	6.2
98.67078	3.0
107.03626	11.4
112.41350	3.1
115.00387	23.1
115.05542	6.3
117.03476	6.2
132.86827	30.0
132.90050	8.3
133.01500	5.7
133.02957	4.8
133.05052	9.0
133.06618	40.3
134.02490	13.6
134.03799	5.6
134.04692	28.2
135.04510	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	133.0661
Annotation	Isochavicol
Peak:m/z	Relative Intensity
71.01394	14.2
72.99318	2.0
87.95740	1.4
91.05551	2.7
93.03425	1.9
95.05061	1.7
96.59152	1.2
106.04307	2.0
107.03671	3.3
115.00370	12.0
123.04551	3.1
131.05057	5.0
132.02165	3.3
132.05841	16.8
132.86800	7.0
133.01466	3.3
133.02972	4.5
133.06613	100.0
134.02496	3.0
134.03804	2.3
134.04727	10.1
134.06943	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	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
65.01447	1.0
65.86634	0.2
66.85998	0.2
68.02540	0.7
69.81903	0.6
71.01395	0.5
72.99307	0.6
75.00879	4.4
79.15285	0.2
80.02547	0.8
92.02554	10.2
107.03646	37.7
108.03331	0.5
108.03979	1.4
109.79505	0.3
112.55142	0.4
117.01969	0.3
134.04739	100.0
135.03023	0.9
135.04510	5.6
135.05202	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
63.58029	0.5
65.01456	1.0
69.71528	2.0
80.02528	0.8
90.28291	0.5
92.02557	10.4
107.03649	38.5
108.03294	0.5
108.03987	0.9
134.04744	100.0
134.86560	6.2
134.89496	3.2
135.04471	3.3
135.05179	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
52.89007	0.4
59.30974	0.5
60.78244	0.4
61.78051	0.4
63.92827	0.4
69.39420	2.3
72.99301	0.4
73.53718	0.5
75.00875	1.7
89.03976	1.8
91.05551	1.5
106.04259	1.4
107.05023	4.5
108.02173	1.0
108.05363	0.4
117.00861	0.5
117.03461	1.5
134.03748	20.8
134.89471	1.4
135.04536	100.0
136.04857	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	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
52.09070	1.4
62.41487	1.3
65.03951	1.4
81.03461	2.2
92.02690	17.7
92.05099	4.7
93.03468	42.5
94.02975	2.2
95.01408	7.9
98.22659	4.4
99.92599	2.1
106.00552	1.3
106.69198	1.9
108.02186	100.0
109.02434	3.7
109.03059	2.7
135.89473	6.7
136.01675	77.9
136.03984	4.2
136.04901	5.9
136.86365	3.6
136.89198	16.9
137.02478	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	136.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73281	0.6
77.36980	0.6
81.03510	1.0
88.01348	0.7
93.03467	15.2
94.03022	1.5
99.92582	2.0
100.92596	0.7
103.11582	0.8
107.05045	1.0
108.02175	3.3
109.02942	2.0
110.68041	0.6
122.03766	2.6
135.04553	9.1
135.89494	17.4
136.01736	4.8
136.05315	100.0
136.86310	5.4
136.89188	29.9
137.02461	24.2
137.03514	1.6
137.05585	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	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.77682	1.4
92.02673	0.9
108.02188	70.9
109.02503	3.9
109.26447	0.5
113.64142	0.6
114.43341	0.6
119.74405	0.5
137.89206	0.8
138.01987	100.0
139.02341	4.9
149.50644	0.6
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	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
67.01895	12.4
67.05540	14.1
69.03472	12.8
69.80260	22.7
69.80597	18.8
76.97269	10.9
77.06932	10.2
81.29406	10.1
111.00893	12.8
139.07683	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	139.0767
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
54.92059	0.5
55.01884	1.0
57.03463	0.9
59.01373	0.5
67.01888	1.2
83.01384	0.9
95.01434	0.7
95.05038	0.6
96.04567	0.5
97.06585	1.4
97.99580	0.5
109.02504	0.7
111.00871	3.0
123.04542	8.5
124.05349	5.5
137.02478	0.8
138.86008	1.1
138.89015	1.9
139.00453	0.9
139.01410	0.8
139.02373	1.1
139.04062	7.1
139.07666	100.0
140.03532	1.9
140.07993	7.6
156.04309	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	142.0665
Annotation	1-Naphthylamine
Peak:m/z	Relative Intensity
65.60681	0.6
66.62452	0.5
69.20152	2.8
71.01395	0.8
84.01140	0.5
85.02957	0.5
89.01440	0.5
98.77129	0.5
99.92615	1.1
115.03040	1.0
116.02602	1.0
116.05085	3.7
140.05072	0.6
142.04196	2.6
142.06642	100.0
143.02562	1.1
143.03601	0.8
143.07007	8.0
143.10791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1239
Annotation	Valpromide
Peak:m/z	Relative Intensity
59.01379	3.2
65.75694	2.8
68.47926	2.4
69.61105	2.8
69.77943	6.3
69.78268	6.8
71.01382	3.8
72.04559	52.2
77.25062	2.6
77.57124	3.0
81.03469	2.5
95.41853	2.8
99.04581	3.2
115.03080	3.4
124.78970	2.8
142.04126	6.5
142.05124	4.7
142.12393	100.0
143.03546	3.8
143.10826	7.1
143.12730	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	30.3
59.01386	7.7
65.66568	2.2
65.73290	2.3
68.99827	6.8
69.55244	10.4
71.01390	49.1
80.99832	6.6
87.00889	16.6
96.99313	29.0
98.21929	4.2
106.01640	2.5
112.98819	42.3
115.00375	4.7
124.97930	5.3
124.98818	77.5
125.99190	3.5
137.38753	2.0
140.98299	10.7
142.99879	100.0
144.00237	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	27.4
54.34714	2.1
59.01372	8.6
67.01892	2.9
68.99818	7.3
69.69532	1.9
69.97459	1.8
70.15266	1.7
70.81870	3.3
71.01393	49.5
71.05049	2.3
72.01704	2.9
80.99818	8.8
85.02945	5.5
87.00883	14.8
96.99325	35.5
99.04523	6.7
102.05613	2.7
111.00874	10.9
112.98816	45.8
115.00378	3.9
117.00468	3.6
124.98820	79.0
125.99174	2.8
137.50542	1.9
140.98282	11.2
142.99870	100.0
143.03535	4.8
144.00223	6.0
144.04555	2.4
144.06720	2.3
146.74419	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	145.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.1
57.03448	8.5
67.60690	1.1
69.05711	5.6
69.06110	2.7
71.01390	6.2
72.49810	1.2
72.99314	13.4
73.02940	2.0
83.01402	4.5
99.00892	100.0
100.01237	4.0
101.02448	11.7
115.48947	1.2
117.01954	18.7
122.26321	1.1
145.01448	30.4
146.02516	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	145.0145
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
52.51612	1.0
52.53442	1.0
53.54867	1.1
55.01888	7.4
57.03445	6.7
58.02981	10.9
61.11359	1.1
67.03016	4.1
70.53924	2.0
70.54254	1.8
71.01377	5.7
72.00907	4.8
72.99315	12.5
74.02482	22.2
82.02989	7.7
83.01411	5.7
84.04555	30.3
86.02495	5.5
92.95983	5.8
97.04126	1.2
98.02466	2.2
99.00890	69.0
99.05633	4.0
99.76431	1.3
100.01232	3.0
101.02453	10.9
101.07227	12.0
102.05618	100.0
107.02510	1.6
109.04086	31.5
117.01942	14.9
122.90582	1.1
123.05845	1.3
125.03573	7.1
127.05148	60.2
128.03549	61.2
128.05527	2.5
144.95486	4.0
145.01443	23.8
145.06201	28.2
145.09813	1.6
146.01781	2.3
146.04614	11.3
146.06496	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0145
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
55.01881	13.8
57.03455	11.6
58.30783	1.8
59.01382	4.1
59.50344	1.6
69.56564	7.9
69.56929	3.4
71.01376	15.2
72.99311	13.3
78.75249	2.0
83.01382	10.4
87.00881	4.9
97.18960	2.0
98.21931	4.0
99.00890	100.0
100.01202	4.2
101.02454	12.3
102.05624	12.6
115.00393	6.0
117.01948	18.0
127.00394	4.9
128.03540	4.5
145.01433	37.9
145.05194	2.6
146.02498	2.3
157.23085	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	145.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60133	1.6
55.01884	12.3
55.02115	2.5
56.02227	1.7
57.03455	10.7
58.02977	2.6
59.01367	5.7
70.59621	2.0
71.01389	22.2
72.99313	18.0
73.02943	2.5
73.65331	1.5
74.02479	1.8
79.61530	1.6
80.73160	1.8
81.03462	2.2
83.01395	9.1
84.04554	2.7
87.00893	10.8
99.00886	100.0
100.01247	4.5
101.02461	13.1
102.05558	2.1
106.86237	1.4
109.04030	2.4
115.00377	8.5
117.01949	19.6
127.00365	5.0
127.05141	4.7
128.03529	2.9
145.00400	2.0
145.01433	38.0
145.05077	3.1
145.06216	2.6
146.02522	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	145.0145
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
53.17504	1.2
55.01886	9.8
55.86785	1.4
57.03452	9.3
59.57510	1.4
63.37112	1.2
69.08728	7.9
71.01385	10.5
72.99321	12.9
83.01405	3.4
86.57075	1.3
97.66541	1.2
99.00890	100.0
100.01235	4.2
101.02451	13.2
117.01970	17.5
117.03419	1.6
120.14390	1.5
122.59035	1.4
122.60142	1.4
123.99863	1.6
127.07357	1.3
131.69876	1.2
145.01450	31.9
156.00426	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0297
Annotation	Norviburtinal
Peak:m/z	Relative Intensity
56.20187	0.3
79.67567	0.4
88.40934	0.4
89.03989	1.3
99.00902	1.4
99.08173	0.4
102.05595	0.7
117.03481	100.0
118.03085	0.5
118.03822	7.9
122.61741	0.4
145.02974	36.4
146.02304	2.6
146.03531	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	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
52.11129	0.6
57.12241	0.5
57.48894	0.5
70.85820	0.5
72.99332	0.7
94.29996	0.5
97.06582	3.3
98.22684	1.7
99.00891	1.7
99.08168	100.0
100.08507	5.7
117.03522	0.8
120.51283	0.5
127.07641	1.0
143.07144	0.7
145.01492	0.7
145.08722	28.6
146.02473	2.1
146.09027	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	147.0301
Annotation	D-threo-3-Methylmalate
Peak:m/z	Relative Intensity
57.03452	12.5
69.37383	4.5
69.37675	1.1
71.05019	1.4
73.02952	95.7
74.03281	3.2
85.02957	100.0
86.03279	3.1
87.00881	4.2
98.21993	2.0
99.00889	15.5
101.02451	3.4
101.06076	2.0
103.04026	14.8
117.01950	20.6
129.01955	22.6
130.02292	1.1
147.03012	14.8
147.06662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03453	13.3
59.01379	1.8
64.17751	0.4
71.01404	0.9
71.17620	0.5
72.99303	0.8
73.02952	78.8
74.03297	2.4
85.02957	100.0
86.03303	4.3
87.00882	6.6
99.00886	13.3
101.02454	4.3
101.06090	0.8
103.04018	12.8
104.04319	0.5
111.00912	0.7
117.01949	17.2
118.02350	0.5
129.01958	20.1
130.02278	1.3
147.03008	12.9
147.04367	0.7
147.04626	0.6
147.06674	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	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99078	0.7
55.01872	1.3
57.03457	12.2
59.01374	1.1
66.05403	0.6
71.05042	1.4
73.02951	86.0
74.03282	1.6
84.44544	0.6
85.02957	100.0
86.03305	2.7
87.00883	3.2
90.96461	0.7
91.62528	0.6
94.73717	0.9
99.00887	15.1
101.02441	3.7
101.06089	2.3
103.04022	13.0
104.04340	1.0
117.01956	18.0
129.01953	23.1
147.03012	15.2
147.06665	1.0
148.03351	0.9
162.37933	0.7
168.05486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0454
Annotation	trans-Cinnamic acid
Peak:m/z	Relative Intensity
70.59663	21.3
79.06393	9.3
84.79019	9.7
85.02948	12.3
103.05557	32.6
117.03400	13.1
119.05041	22.3
147.04549	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	147.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89725	12.7
70.10281	17.1
70.10608	26.6
73.02961	40.1
79.87820	11.8
85.02950	56.8
99.00931	12.1
103.05556	43.7
117.80368	15.6
129.01956	27.7
147.03104	11.9
147.03397	14.1
147.04549	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	147.0665
Annotation	Paratose
Peak:m/z	Relative Intensity
50.48109	1.2
50.73199	1.2
55.01900	1.2
57.03449	21.2
59.01367	4.8
62.34334	1.3
68.39982	1.2
70.27972	3.0
71.01384	3.8
71.05023	3.6
73.02950	48.3
74.03288	1.9
75.00864	3.8
75.21470	1.3
85.02955	100.0
86.03279	3.3
87.00892	4.2
88.98473	1.5
99.00891	6.4
101.02441	11.1
101.06076	10.3
103.04020	24.5
117.01958	9.1
129.01967	12.8
137.87730	1.5
147.03023	7.8
147.04588	1.2
147.06638	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	149.0457
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
59.01385	100.0
65.35945	4.9
69.20896	15.4
69.21310	17.8
71.01392	27.4
87.01482	4.7
87.96629	5.0
89.02459	5.5
94.99335	7.4
98.22598	13.0
112.03648	6.0
121.02979	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	149.0457
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
55.01889	4.5
57.03443	2.4
59.01079	1.4
59.01383	26.2
64.26068	0.7
69.03482	3.7
69.03775	0.7
69.57669	1.6
69.58062	1.6
71.01389	33.0
72.99311	2.8
73.02955	33.7
74.03289	1.3
75.00877	11.1
85.02956	5.8
87.00879	7.3
89.02452	100.0
90.02808	2.1
98.21890	1.0
100.75269	0.7
101.01786	0.7
101.02438	2.7
103.04002	4.9
119.17279	0.6
129.01965	0.9
131.03513	11.9
149.04568	40.3
150.04916	1.3
167.21954	0.7
168.81097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	15.6
60.15974	1.6
69.03449	4.5
69.34219	7.7
71.01392	36.5
73.02957	30.6
74.03267	1.6
75.00880	9.3
77.01091	1.3
85.02955	2.1
87.00897	5.7
89.02454	100.0
90.02785	1.6
101.02476	2.1
103.04038	4.0
104.91354	1.5
131.03514	11.3
140.91901	1.5
143.99245	1.5
148.86330	2.2
149.04565	34.7
152.92191	1.5
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	875-59-2
Peak:m/z	Relative Intensity
57.50832	3.7
58.00588	5.4
70.95464	4.8
70.95813	4.6
71.33006	3.7
83.92599	3.4
91.05541	19.0
93.03453	7.8
94.99323	13.1
95.05013	4.0
104.97775	8.8
106.04260	40.3
107.05069	44.5
108.02222	5.4
109.72135	4.3
121.02981	29.1
123.04606	5.9
131.05014	4.7
134.03752	79.4
148.05351	9.9
149.02443	16.1
149.06104	100.0
150.05519	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	150.0324
Annotation	4-(hydroxymethyl)benzoate
Peak:m/z	Relative Intensity
52.12739	1.1
59.01363	2.0
65.28147	1.1
66.03486	1.3
69.33133	2.5
69.33540	4.2
70.35525	1.1
71.01361	3.0
89.02467	1.3
90.72541	1.2
90.96770	1.1
93.03463	13.1
94.03004	2.1
95.01403	1.5
95.05057	1.7
98.22625	2.7
101.02483	2.2
107.05058	14.1
108.02189	7.0
108.04552	4.5
109.02969	3.6
109.04110	2.1
114.99796	1.2
121.02968	100.0
122.03239	3.8
122.03761	5.2
122.06126	6.4
123.04533	22.3
130.86200	1.3
135.04121	2.6
136.01677	47.4
149.02458	3.2
150.00233	5.3
150.02007	2.0
150.03247	35.9
150.05608	9.5
151.04050	25.0
151.05173	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	150.0563
Annotation	Paracetamol
Peak:m/z	Relative Intensity
51.98589	0.7
53.26371	0.8
54.70157	0.7
55.12063	0.7
59.01373	1.9
62.99823	0.7
65.00322	0.9
66.03483	2.4
66.45449	0.8
67.01901	1.0
71.01400	1.1
71.39421	0.8
79.05144	0.7
79.05553	4.7
80.05020	1.2
81.03465	5.0
82.02981	2.7
89.02451	1.2
92.02664	1.1
93.03463	7.4
94.03000	4.1
94.06624	2.0
95.01413	0.9
95.05037	2.4
101.02424	0.9
104.05064	0.9
105.03501	1.0
106.03023	1.4
106.06617	1.0
107.03803	7.4
107.05045	100.0
108.02180	4.3
108.04562	6.0
108.05372	4.7
109.02934	1.5
109.04079	1.7
120.04592	1.5
121.02972	12.1
121.05384	1.1
122.03835	4.4
122.06145	41.4
123.04549	12.7
123.06488	1.2
132.04573	6.6
133.01558	2.5
133.02991	1.7
134.03798	1.1
135.03267	1.5
136.01680	30.9
139.43715	0.9
148.04068	0.8
149.02423	1.4
150.00192	4.8
150.01982	1.2
150.03241	3.7
150.05617	19.9
151.00317	0.8
151.04060	15.0
151.05174	2.7
151.08803	0.9
161.71979	0.7
168.13741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47033	0.1
59.01384	0.2
61.87455	0.1
65.00319	0.4
69.03443	0.2
69.17912	0.9
71.01385	0.2
77.20316	0.1
79.62178	0.1
80.90781	0.1
92.02689	2.7
93.03474	0.2
94.85447	0.1
95.01419	0.9
107.05054	0.2
108.02187	6.8
108.04556	0.5
109.03031	0.2
109.04025	0.2
113.55676	0.1
122.03761	0.4
123.04530	1.2
136.01674	100.0
137.02011	5.2
151.04024	8.5
151.05063	0.3
151.07716	0.2
152.03448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
61.93862	0.2
66.91434	0.1
69.18596	0.8
82.02982	0.2
106.04252	0.4
106.11530	0.1
108.02186	0.2
108.04618	0.1
109.02979	1.1
110.00141	0.2
121.02980	1.0
122.03754	43.3
122.37759	0.1
123.04084	2.4
124.04901	0.3
125.02461	0.2
137.02016	0.3
137.99632	0.2
151.87485	0.2
152.03551	100.0
153.01929	0.6
153.03922	5.4
161.88815	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	152.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.4
62.55854	0.2
63.41608	0.2
71.45076	0.2
76.01931	0.3
78.03495	1.9
92.02709	0.3
95.01431	0.3
106.02996	0.7
107.03784	6.1
108.02179	0.6
108.04641	0.3
109.02966	1.7
121.02968	0.6
122.02393	0.9
122.03754	32.6
123.00858	0.2
123.04066	1.7
134.02571	0.3
135.03282	0.5
137.02039	0.4
152.03549	100.0
153.02063	1.1
153.03920	4.6
153.05182	0.4
153.74440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
55.00745	0.9
57.03456	7.8
63.02402	4.0
65.00333	17.9
67.01884	3.7
68.99822	13.9
69.03555	6.5
80.81470	0.9
81.03484	5.1
82.00623	1.7
83.01397	52.7
84.01717	0.8
85.02953	4.1
97.02953	1.3
98.21909	2.7
101.20476	0.8
107.01404	25.6
108.02251	4.5
109.02969	45.5
109.06573	1.2
110.00095	2.5
110.03326	1.7
111.00900	2.9
124.02881	1.0
125.02465	21.6
137.99576	1.3
151.00392	70.2
152.00710	2.6
153.01956	100.0
154.02362	4.9
169.01465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
51.87255	0.6
55.83733	0.7
57.03454	7.5
63.02391	3.5
65.00329	17.4
66.00667	0.6
66.45014	0.5
66.67253	0.6
67.01901	5.7
68.81050	0.6
68.99821	13.3
69.81345	1.3
69.81680	0.8
80.33294	0.6
81.03458	6.2
82.02979	0.8
83.01394	50.6
84.01730	1.2
85.02962	5.0
93.04605	0.9
95.05058	0.7
97.02987	0.6
98.22767	0.7
107.01398	22.4
109.02959	17.6
110.00082	1.2
110.92605	0.7
111.00887	3.6
123.04548	3.4
125.01520	1.0
125.02451	21.0
126.02817	0.7
137.74054	0.7
144.61867	0.6
151.00385	73.7
152.00734	3.0
153.01949	100.0
154.02338	5.7
154.06184	1.0
156.40941	0.6
169.01398	0.7
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	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
52.10380	0.5
55.61016	0.5
57.03451	1.5
65.00328	2.4
65.03976	15.7
66.04306	0.9
67.01905	8.3
68.99828	2.3
70.27924	0.9
81.03465	1.3
82.02953	0.8
83.01400	11.1
85.02993	0.6
91.01893	5.1
98.21928	0.7
98.87833	0.5
107.01405	2.7
109.02966	100.0
110.00119	0.5
110.03295	3.6
118.43143	0.5
123.00879	1.0
125.02471	4.3
135.00902	28.5
136.01253	1.7
138.03233	0.6
151.00398	11.3
151.01567	0.9
152.00787	0.8
153.01953	74.3
154.02388	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	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
66.03477	0.7
68.99817	0.7
69.03472	0.7
69.27547	1.0
69.27934	1.4
80.02668	0.5
81.03461	2.2
82.00636	0.5
82.03001	2.1
83.01401	1.1
93.03442	1.0
95.01379	1.3
95.05046	1.6
106.64043	0.5
107.01412	0.7
107.80372	0.6
108.02181	1.9
109.02971	12.7
109.06607	0.8
110.00095	2.2
110.03288	1.0
111.00890	1.1
111.04502	0.8
122.03786	3.3
123.00925	1.4
123.04540	100.0
124.01717	0.5
124.04063	1.3
124.04877	5.5
125.02485	1.2
135.04543	1.2
137.99608	1.2
138.03217	1.0
139.00354	0.7
140.59624	0.5
151.00383	1.2
153.00829	1.0
153.01973	8.8
153.03101	0.9
153.05577	15.5
153.09190	1.0
154.01453	1.0
154.05066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0559
Annotation	Hexahydrophthalic anhydride
Peak:m/z	Relative Intensity
54.49878	1.1
55.01883	2.5
63.70635	1.2
67.01900	2.3
67.05538	1.4
69.03457	3.8
69.35881	5.8
75.31579	1.3
76.17481	1.5
78.17809	1.2
80.02685	100.0
81.03030	3.3
81.03466	30.7
82.02984	3.8
87.87391	1.2
91.05540	6.1
93.03491	8.4
94.04245	1.4
97.02952	7.3
107.05049	28.0
108.02155	1.5
109.02965	14.3
109.06601	88.6
110.00102	2.6
110.06927	5.1
125.02425	2.4
135.04494	1.6
147.92963	1.3
153.01935	4.6
153.05618	9.8
153.06660	1.9
159.49141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	2.5
69.19786	9.3
71.01389	1.6
92.14896	1.5
95.05064	3.6
97.02959	9.0
98.21883	3.0
108.05798	3.0
109.02950	7.0
109.06604	16.0
111.08162	1.8
113.06106	2.8
122.03754	88.6
123.04079	4.4
123.08170	7.5
125.06100	6.6
136.05298	13.8
137.06100	28.7
138.06880	100.0
139.07506	6.1
151.07658	32.7
152.04741	1.9
152.08461	21.7
153.01939	2.5
153.09254	25.3
153.86871	5.9
154.09586	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	154.0148
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
56.37292	0.2
65.99851	1.9
68.99825	0.4
69.20983	1.7
69.50959	0.2
82.02969	0.6
95.01411	0.5
107.01365	0.7
108.02200	0.8
109.01678	0.5
111.04501	0.3
118.14011	0.3
123.00900	11.5
123.66705	0.3
124.01673	33.7
125.01996	1.1
154.01471	100.0
155.01833	4.9
155.10866	0.5
160.80353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07523	0.8
55.01919	1.0
82.02996	5.1
83.01451	2.3
93.03481	1.0
95.05035	17.4
96.96035	1.3
110.03286	1.0
110.56040	0.6
111.00948	1.4
111.04573	0.6
113.06120	1.4
124.68301	0.6
134.87402	0.6
139.04027	100.0
140.04359	4.8
153.86876	20.9
154.01413	3.6
154.05205	0.9
154.06361	20.9
155.06761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	60046-50-6
Peak:m/z	Relative Intensity
52.15197	0.7
96.92007	0.8
111.00925	0.7
127.61846	0.9
137.09711	1.5
155.10793	100.0
156.11134	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	157.0871
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
55.39557	1.3
59.01388	30.2
67.05533	3.1
68.99836	2.2
71.01389	20.4
71.42727	1.8
75.00882	1.5
83.05027	2.4
84.99339	1.7
88.09870	1.2
97.06640	1.5
99.00893	6.8
109.06632	10.1
110.07014	1.4
111.08157	8.7
113.06101	1.5
113.09715	2.3
114.09269	1.7
114.93430	5.0
116.07202	3.0
121.06593	2.4
127.00387	13.8
127.07668	47.8
138.29008	1.3
139.07677	33.6
140.08015	1.6
156.89499	2.5
157.01385	1.6
157.08722	100.0
157.12341	15.5
158.03603	3.1
158.08078	2.5
158.09206	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	159.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58093	0.4
57.03475	0.5
59.01386	100.0
60.01706	1.8
61.01811	0.5
69.03495	0.3
70.23855	0.3
71.01397	1.2
72.99355	0.5
73.02959	3.2
74.99385	0.7
75.00883	0.4
75.22566	0.3
78.84055	0.3
83.01378	0.4
85.02960	0.6
85.22417	0.3
87.00911	1.3
97.02988	0.4
97.06635	1.1
99.92595	4.0
101.02483	1.4
106.48818	0.4
111.00893	1.1
113.02505	1.0
114.94933	3.5
115.02530	4.7
116.02683	0.4
116.50589	0.3
116.92872	14.7
116.98650	2.1
117.00460	9.2
117.92867	0.7
117.95550	6.3
117.96327	0.5
118.00608	0.9
119.00272	0.5
126.22534	0.4
129.01979	1.3
142.88309	0.3
158.89304	0.6
158.93944	1.9
158.99670	0.4
159.00249	0.5
159.01570	6.1
159.03091	3.0
159.05615	0.8
159.06792	0.5
159.10333	1.0
159.96629	1.6
160.04147	0.6
161.01263	0.6
174.84622	0.3
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
51.60376	0.3
53.54999	0.3
55.40804	0.3
57.03457	0.4
59.01389	2.2
59.42823	0.2
67.09975	0.3
71.01390	2.2
71.05038	1.4
73.02956	2.1
77.03982	1.2
81.57287	0.2
83.00794	0.2
83.01366	0.5
85.02959	2.9
87.00896	0.4
87.04516	0.4
89.02470	0.4
89.03979	1.4
95.01378	0.3
95.05053	0.3
96.24068	0.3
98.22797	0.5
99.04501	1.6
104.02702	0.7
105.03459	2.5
113.02473	0.6
113.26559	0.3
115.01936	1.5
115.04020	0.6
117.03533	0.4
117.05586	1.9
118.02984	0.4
127.77840	0.3
131.03558	0.6
132.02190	11.4
133.02972	100.0
134.03294	5.1
159.17081	0.3
160.01653	0.5
161.02463	59.0
161.08215	2.7
162.02916	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	161.0457
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
50.36885	2.8
50.62215	2.5
52.80442	2.6
57.03457	8.4
59.01394	26.0
70.97359	3.5
71.01391	58.9
71.05025	13.2
73.02962	24.9
78.32738	2.9
82.81647	2.7
83.01386	6.5
84.42184	2.4
85.02962	49.2
87.00887	3.3
87.04543	4.9
89.02449	7.7
95.01404	12.8
96.68793	2.5
97.02950	3.9
99.04533	19.1
101.02483	3.2
113.02457	19.6
115.04050	7.9
115.07631	3.4
116.92852	5.1
117.03483	2.9
117.05573	26.4
119.05058	2.8
120.87231	2.5
122.42998	3.2
131.03531	9.1
131.94096	3.6
147.14818	2.7
160.84239	100.0
161.02478	7.2
161.04608	13.9
161.08200	25.2
162.01999	9.7
164.55495	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	161.0458
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01885	4.0
57.03455	37.0
57.37067	2.1
59.01386	58.3
69.03468	5.4
69.94987	6.3
71.01389	35.3
71.04649	4.3
71.05029	56.0
72.99291	4.4
73.02955	48.3
78.49230	2.2
79.13748	1.9
81.03472	9.0
83.01373	11.5
85.02964	46.9
87.00891	66.9
87.04523	13.8
89.02465	8.8
95.01385	3.1
97.02959	4.9
97.33881	2.1
98.22538	2.3
99.00895	6.2
99.04534	100.0
99.05193	4.7
100.04886	4.9
101.02456	41.7
102.02759	2.2
113.02451	8.4
115.04024	21.4
117.05589	46.5
125.02438	4.4
131.03539	11.5
133.03003	3.8
134.97124	4.6
143.03522	39.7
144.03006	4.5
161.02486	5.6
161.04590	79.1
161.08209	18.4
162.01982	5.2
162.04845	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	161.0458
Annotation	3,6-Anhydro-alpha-L-galactopyranose
Peak:m/z	Relative Intensity
55.01876	5.2
56.66756	1.3
57.03460	13.6
58.00603	1.9
59.01386	58.3
69.03464	8.5
71.01390	100.0
71.05029	2.7
72.00919	15.4
72.01729	3.4
72.99326	3.0
73.02952	50.8
74.02485	3.9
75.00874	4.9
80.05060	1.9
81.03468	18.3
82.06637	1.5
83.01388	11.3
84.02192	3.2
85.02962	78.7
87.00895	13.2
87.04519	4.2
89.02453	6.6
92.96000	5.0
95.00015	1.7
95.01406	18.0
97.02960	9.4
98.02505	9.4
98.06107	2.0
99.00900	12.1
99.04535	6.4
101.02455	11.0
107.44731	1.4
110.42075	1.6
113.02462	28.9
115.04062	3.8
115.05126	2.1
116.03532	2.5
117.05605	4.5
125.02523	6.7
126.05585	2.8
131.03514	9.5
134.97083	20.6
141.01913	1.5
143.03546	3.3
143.04640	3.5
144.03006	5.3
144.06670	8.5
145.01422	3.9
161.04582	49.3
161.08215	5.7
162.02007	1.7
162.07724	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	161.061
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
54.27813	1.0
54.37878	0.9
57.03433	2.3
59.01386	9.9
71.01389	12.2
71.05014	4.3
73.02946	7.1
75.00800	1.1
83.01401	2.3
85.02958	10.6
87.04537	1.7
89.02402	1.5
91.05543	100.0
92.05865	2.7
95.01394	1.8
98.21904	3.2
99.00854	1.2
99.04526	4.0
101.02454	4.7
113.02446	1.9
115.04019	2.3
115.05525	2.0
115.07664	1.3
117.03474	8.7
117.05721	6.7
117.07115	57.1
118.07424	2.6
119.05054	8.1
121.94825	0.9
126.43983	1.1
131.03468	1.6
133.02954	4.2
133.06577	1.4
135.04546	2.6
136.40016	1.0
143.03534	1.8
146.03775	1.7
161.02469	3.4
161.06090	89.6
161.08067	8.7
162.01933	2.1
162.06476	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	161.0822
Annotation	beta-Cymaropyranose
Peak:m/z	Relative Intensity
58.39013	0.9
70.33023	2.4
70.82200	0.9
70.85049	0.9
70.91497	0.9
71.01381	8.6
71.05027	43.1
73.02934	1.9
85.02957	1.3
87.04523	12.9
99.04527	100.0
100.04867	3.5
105.03456	1.1
115.03198	1.6
115.04018	31.1
115.07669	13.0
117.05589	57.5
125.52380	1.0
133.02956	4.1
150.57579	1.1
161.02544	1.9
161.08205	94.8
162.08516	3.1
164.93742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
59.83775	0.8
69.03436	1.3
69.52348	3.0
71.01384	7.6
71.05029	46.5
72.05354	0.9
73.02942	1.1
78.42729	0.8
85.47071	0.7
87.04524	14.0
99.04528	100.0
100.04839	4.1
101.06068	1.5
115.04021	28.8
115.07648	13.9
116.04328	0.8
117.05590	58.2
118.05882	1.7
130.65738	0.8
133.02966	3.7
144.94061	0.9
151.27930	0.9
161.02451	3.5
161.08208	94.0
162.08571	4.8
175.55959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0974
Annotation	Valerophenone
Peak:m/z	Relative Intensity
55.01875	6.0
57.03449	5.7
58.00831	2.1
59.01382	39.6
69.03466	3.1
69.05936	17.8
71.01390	27.0
71.05029	33.8
72.99306	5.2
73.02955	35.9
75.00893	2.7
79.05545	3.0
81.03464	7.1
83.01401	6.0
85.02959	35.4
87.00884	11.0
87.04517	9.6
89.02452	8.0
93.03497	6.6
95.05032	2.4
97.03000	4.3
97.62828	2.6
99.04527	43.1
99.92567	2.8
100.75352	2.2
101.02469	4.3
105.07130	2.6
107.05012	3.6
113.02447	5.8
115.04014	15.3
115.07684	6.5
115.92075	10.4
116.92870	57.9
117.03496	4.3
117.05590	44.0
117.92892	2.9
118.03017	7.2
118.92635	3.7
119.05009	5.3
120.05829	23.9
131.03520	11.7
133.03024	4.5
133.04044	2.6
133.10242	12.7
142.92494	7.0
143.03537	3.5
143.08708	11.1
146.07393	35.4
148.08835	2.7
152.04802	4.6
160.01703	2.5
160.84233	88.3
160.89284	5.6
160.93584	5.9
160.95721	5.9
161.02431	8.6
161.04669	21.7
161.06004	4.9
161.08217	71.7
161.09741	100.0
162.01968	18.8
162.05632	3.2
162.08488	2.6
162.10085	4.2
163.04950	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	162.0325
Annotation	2-Amino-5-chloro-5-hexenoic acid
Peak:m/z	Relative Intensity
57.79525	1.0
59.01379	4.0
68.35522	1.1
69.08225	4.3
69.08649	4.7
71.01385	1.7
72.01752	1.3
84.10077	1.1
85.02934	2.2
91.01912	2.5
91.05486	1.9
93.03468	2.8
98.21902	2.7
101.02444	3.7
106.04253	5.7
107.05030	4.2
109.58702	1.3
115.92098	2.2
117.03490	1.3
118.02998	4.8
119.01420	3.0
119.05045	11.6
119.05848	1.7
120.02172	3.2
121.02966	2.6
123.04563	2.8
133.02966	5.5
134.03751	33.0
135.04567	7.2
145.01555	1.3
145.02921	1.9
161.02441	12.5
162.01999	9.6
162.03232	100.0
162.08498	1.7
162.83954	10.4
163.00377	5.1
163.04033	35.6
163.06175	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	163.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72326	0.5
55.01877	3.3
57.03455	4.5
60.24541	0.4
63.41982	0.5
65.34650	0.4
70.97928	0.4
71.01379	2.6
72.99312	5.0
73.02929	1.3
83.01392	2.1
88.45976	0.5
99.00891	54.7
100.01206	1.5
101.02449	12.4
117.01958	25.4
118.02306	0.6
119.03525	1.5
119.05042	17.3
119.05914	0.9
120.05408	0.7
145.01445	100.0
146.01785	3.9
163.02518	16.1
163.04004	1.6
164.02850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99010	0.4
55.01880	3.8
57.03452	5.1
70.79017	0.5
71.01373	2.0
72.99317	4.3
73.02953	1.1
75.15726	0.3
83.01402	2.3
99.00887	55.6
100.01234	1.3
101.02451	11.2
111.12003	0.4
117.01949	23.9
118.02280	0.6
119.03548	1.8
119.05024	1.0
145.01439	100.0
146.01768	3.7
162.89374	0.5
163.02498	16.5
163.06123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11278	0.5
55.01879	4.8
56.54940	0.5
57.03449	5.3
58.39903	0.5
69.92410	2.1
71.01381	2.3
72.99313	5.9
73.02949	0.9
75.05589	0.6
77.35079	0.6
83.01379	2.5
99.00888	62.3
100.01230	1.4
101.02454	13.1
101.03106	1.0
117.01949	23.5
117.50203	0.5
119.03482	1.2
119.05035	1.6
135.04584	0.6
145.01439	100.0
146.01761	3.6
163.02493	16.6
164.02919	0.8
184.79858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99955	0.2
71.00999	0.2
91.05548	0.3
93.03438	1.8
99.00873	1.8
101.02450	0.6
117.01935	0.9
117.03516	0.3
119.05038	100.0
120.05379	5.9
123.87199	0.3
139.40739	0.2
145.01443	3.7
147.04567	0.4
163.02565	0.6
163.04010	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	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
55.01881	0.2
55.14145	0.2
57.03434	0.3
58.61956	0.2
58.83825	0.2
61.47856	0.2
62.64403	0.2
65.18919	0.2
68.34391	0.2
71.01905	0.3
75.67372	0.2
82.67384	0.2
93.03461	1.8
99.00878	2.4
101.02464	0.5
117.01947	0.9
117.03460	0.5
119.05035	100.0
120.05373	5.3
134.82475	0.2
145.01445	4.1
163.02559	0.6
163.04004	6.7
164.04399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80207	0.2
61.50331	0.2
63.60791	0.2
69.94220	0.6
69.94582	0.2
77.91782	0.2
83.83987	0.2
93.03465	2.2
99.00874	0.5
105.06766	0.2
118.82208	0.2
119.05038	100.0
120.05370	4.6
145.01463	1.4
145.02455	0.2
146.06369	0.2
163.02681	0.2
163.04022	4.9
163.06140	0.3
164.04428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	0.2
66.06438	0.2
69.99258	0.7
71.01399	0.3
72.99333	0.4
79.65527	0.2
83.95586	0.2
90.12737	0.2
93.03461	1.7
98.21976	0.3
99.00890	4.4
101.02484	0.7
117.01955	2.2
117.03483	0.4
119.05041	100.0
120.05376	4.7
145.01447	8.8
145.02621	0.4
146.01753	0.3
153.05725	0.2
163.02501	1.6
163.03989	7.9
164.04315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.62767	2.5
53.04322	3.3
56.91092	2.4
61.44657	2.7
63.20729	2.4
71.97118	2.7
78.47531	2.8
78.86768	2.6
91.01877	2.5
98.21893	5.3
101.02464	4.5
119.05000	5.7
121.46685	2.4
142.72775	2.9
162.83955	5.0
163.00407	7.0
163.06125	3.9
163.11307	100.0
164.11662	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	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.27493	0.5
54.29675	0.5
59.01381	0.9
71.32607	0.7
72.00912	41.9
73.01296	0.6
77.03967	1.7
87.00881	0.6
88.51456	0.6
91.05545	4.3
92.05070	0.8
93.03468	2.1
95.91021	0.5
101.05988	0.6
103.05550	1.6
108.02191	0.9
109.02962	1.0
119.05028	1.8
120.04549	2.2
120.05382	5.7
121.02967	20.1
122.03753	1.0
123.04531	2.2
123.05656	0.8
135.04558	0.7
136.04089	1.0
137.02428	2.0
146.06163	0.8
147.04533	100.0
148.04846	4.2
149.01003	1.7
149.02495	1.0
150.03220	3.2
164.03487	2.6
164.07172	44.0
164.83655	0.6
165.01970	3.0
165.05544	2.0
165.07542	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	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.37143	0.5
69.57051	2.4
72.00918	40.3
87.00918	0.8
91.05537	4.9
93.03493	1.0
103.05559	3.8
118.06655	0.9
119.05077	0.7
121.02975	11.4
122.03741	0.7
123.04503	1.2
128.73456	0.5
135.04480	0.6
137.02467	0.8
146.06122	1.3
147.04541	100.0
148.04883	5.7
149.02473	1.1
150.02011	0.9
150.03242	19.9
164.07184	45.6
165.05576	2.4
165.07484	1.8
173.01202	0.6
181.26492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	Tricaine
Peak:m/z	Relative Intensity
56.13132	0.2
68.99816	0.5
69.13103	1.7
69.13511	0.7
77.03976	0.4
80.05061	2.7
92.05049	0.4
92.25572	0.3
92.99834	1.2
93.03461	0.6
96.04572	0.4
103.17556	0.3
107.03785	0.3
108.02179	0.3
108.08192	2.4
109.02950	0.4
119.05032	0.5
120.04562	1.7
120.05364	0.6
121.02977	6.2
121.05353	14.9
123.04502	0.8
135.03278	0.5
135.04567	0.4
136.04047	1.7
136.07695	18.1
137.02460	0.9
137.04871	2.0
137.08026	1.1
149.00996	0.8
149.04829	11.0
150.03252	0.5
153.04320	0.7
163.83994	0.5
164.03555	3.7
164.07178	100.0
164.21126	0.3
164.83627	1.2
165.01932	0.6
165.04286	0.3
165.05542	0.7
165.07547	5.6
181.03787	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	165.0407
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01886	1.5
57.03460	1.2
59.01390	11.2
66.34139	0.9
70.73141	1.4
71.01389	8.6
72.99319	2.7
73.02950	3.9
73.03983	0.8
75.00880	55.5
76.01212	1.8
78.38108	0.8
79.88905	0.8
85.02978	0.9
87.00884	100.0
88.01234	2.2
89.02442	3.8
95.82218	0.9
98.31127	0.9
99.00891	20.4
100.01221	1.5
101.02451	3.7
105.01944	75.6
117.01939	4.1
129.01987	6.7
135.02979	1.6
140.25072	1.1
147.03009	7.5
159.43179	1.0
165.04057	57.7
166.04443	2.0
177.89433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0559
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
53.88518	0.7
55.01863	0.8
55.15132	0.8
57.03449	8.7
58.00599	1.6
59.01392	7.7
67.01881	0.8
70.54523	1.0
71.01391	5.9
72.99319	3.4
73.02942	2.3
75.00881	40.3
77.03987	1.6
81.03465	10.3
83.01398	11.0
85.02966	23.0
87.00888	56.4
88.01250	1.0
89.02448	2.2
93.03454	4.2
95.05034	16.9
95.05624	1.0
96.05389	0.7
96.17899	0.6
98.22537	0.7
99.00900	11.5
101.02465	2.9
103.12507	0.6
105.01949	44.2
107.05038	1.3
108.02191	29.1
117.01990	1.5
119.05054	4.1
119.73648	0.6
121.02973	24.7
122.03767	27.5
123.04545	100.0
124.01675	1.0
124.04874	2.9
129.01945	4.5
135.03020	0.7
135.04582	1.4
136.01712	0.9
137.02444	2.9
137.06107	4.5
147.01956	1.5
147.03008	4.7
147.04550	3.0
149.00983	1.3
150.03256	7.2
164.89603	1.2
165.01854	1.9
165.04083	39.1
165.05602	60.9
166.04573	0.7
166.05888	3.3
174.73050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0559
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
57.13293	0.4
59.01382	0.9
65.00362	0.4
67.01916	1.0
71.01404	0.5
71.42866	0.5
72.99316	33.5
75.47009	0.4
76.08557	0.4
77.03971	0.6
83.94268	0.4
88.56799	0.4
91.05518	2.6
92.99834	0.9
93.03467	0.7
95.01420	0.8
97.26305	0.4
101.03997	2.0
101.99065	0.4
102.16963	0.4
103.05535	2.3
105.33820	0.5
106.04292	0.4
108.02229	0.5
109.02941	0.6
117.03528	0.7
117.83939	0.4
119.05042	37.1
120.05401	1.5
121.02966	14.3
121.06628	0.9
122.03774	0.7
122.06146	0.6
123.00897	5.2
123.04539	1.8
123.05609	0.6
124.01677	1.1
134.50050	0.4
136.01657	0.6
137.02466	1.9
147.04536	100.0
148.04886	5.7
149.00952	1.7
150.03233	2.3
151.00386	9.9
164.83633	2.5
165.01962	2.5
165.05580	29.7
166.01457	0.6
166.02728	0.6
166.06071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1286
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03457	13.3
57.98819	2.2
59.01402	3.4
59.24996	2.1
65.00335	6.9
66.58182	1.8
69.03453	2.9
74.64645	2.3
77.03965	6.3
80.02680	3.3
81.03460	12.1
83.05029	22.1
86.01957	2.2
90.52551	2.3
92.04897	2.4
92.99824	25.6
93.03469	8.3
95.01376	3.7
95.05026	14.8
97.06606	35.9
98.06942	2.8
108.02175	4.7
109.02972	6.0
109.06631	5.5
111.08169	34.6
111.08891	2.9
119.05051	3.9
119.66698	2.2
121.02967	100.0
121.06606	3.0
122.03856	2.8
123.04543	7.2
123.08187	2.9
128.34045	2.1
136.01683	4.6
137.02460	23.8
147.04527	3.5
149.00925	7.2
150.03226	6.2
163.11296	8.8
164.83626	19.1
164.89786	3.9
165.01962	18.2
165.04099	3.2
165.05566	6.5
165.06749	3.0
165.09164	3.0
165.12854	65.0
166.01437	13.3
166.05121	7.6
166.13185	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	166.0512
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
65.99836	0.2
66.03491	0.3
67.48472	0.1
69.22639	0.3
69.23022	0.4
71.06014	0.2
78.36798	0.1
88.64293	0.1
90.03501	0.2
92.05078	1.0
93.03462	0.7
94.03033	0.2
95.01332	0.1
105.02185	0.3
106.04234	0.4
108.02177	0.7
109.22289	0.1
118.03011	0.3
119.03785	0.2
120.04565	0.4
121.02979	0.7
121.05354	2.9
122.02509	0.3
122.03315	0.3
122.06097	0.3
123.00842	0.2
123.03305	0.2
123.04567	0.3
124.04003	0.2
124.98411	0.3
135.04526	1.2
136.05312	25.2
137.05652	1.4
148.04112	0.4
152.01166	0.7
166.05112	100.0
166.99742	0.2
167.03610	0.4
167.05449	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	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
66.03470	0.2
68.19646	0.1
70.91690	0.3
80.05056	0.2
80.91669	0.3
93.03450	0.8
105.80596	0.1
108.02200	0.8
109.60944	0.1
121.02972	13.0
122.02561	0.2
122.03300	1.1
122.06147	0.3
123.00980	0.2
123.04541	0.3
124.04099	0.3
124.98441	0.8
136.01741	0.4
136.05315	10.6
137.05647	0.6
140.02611	0.2
151.02768	31.6
152.01137	0.9
152.03072	1.3
165.83698	0.4
166.05113	100.0
166.83409	0.5
167.03546	0.3
167.05469	4.8
183.01738	3.5
184.02097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46898	0.6
55.17817	0.5
58.02979	100.0
59.03321	0.9
68.99830	1.0
69.03462	1.2
70.03007	0.6
70.56095	0.6
70.56435	1.0
71.72648	0.6
75.64390	0.6
81.03511	0.7
95.01393	1.0
96.04562	2.9
97.02949	0.9
98.02471	0.7
109.04158	0.8
112.08547	0.9
114.96159	0.5
116.02531	0.6
123.00887	2.8
125.02457	10.0
125.09707	0.9
125.98599	0.7
126.02020	1.3
126.98281	0.6
131.63591	0.6
132.86821	5.0
136.26132	0.6
153.00696	22.0
154.01001	0.7
167.83624	0.8
168.03101	5.1
168.10307	1.2
168.13983	5.3
168.83748	1.0
169.01492	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	169.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
53.00804	0.2
57.03440	0.4
58.33055	0.2
59.01381	0.3
67.01897	0.6
68.99826	0.3
69.03463	5.9
69.05840	0.2
69.85170	0.5
69.85558	0.4
71.01394	0.5
79.01895	1.6
81.03461	3.9
83.01402	0.7
85.02980	0.3
95.01396	0.7
96.95981	0.2
97.02961	5.3
97.75688	0.2
98.02516	0.4
99.00872	0.4
107.01421	1.0
110.00152	0.6
111.00882	0.6
113.02483	0.7
123.05759	0.3
124.01692	1.7
125.02464	100.0
125.09705	0.2
125.99594	0.4
126.01926	0.4
126.02794	3.7
126.90356	0.4
126.98908	2.1
127.10705	0.2
139.00450	1.2
141.97504	0.2
151.05151	0.3
154.02773	0.3
169.01439	27.3
170.01772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0145
Annotation	Gallate
Peak:m/z	Relative Intensity
52.09134	0.2
52.45977	0.2
58.14596	0.2
65.91782	0.2
67.01899	0.7
69.03463	5.8
70.06746	0.7
79.01891	2.0
81.03465	4.0
83.01411	0.6
89.41648	0.2
91.42708	0.2
95.01399	0.9
97.02962	4.3
97.46129	0.3
106.30026	0.2
107.01405	1.0
107.17496	0.3
108.02167	0.3
123.00866	0.3
124.01688	1.4
125.02460	100.0
126.02790	3.7
126.89302	0.2
126.90356	0.6
132.42268	0.2
143.27371	0.3
169.01440	25.9
170.01772	1.3
183.46681	0.2
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
55.01895	0.8
56.61153	0.4
57.03447	3.2
68.27992	0.4
70.63779	0.7
70.64123	0.6
72.04555	19.5
79.42056	0.4
79.66476	0.4
80.05064	0.6
80.56102	0.4
82.00648	0.4
83.01408	1.9
114.09244	0.7
117.94759	0.4
123.97018	0.5
124.11322	0.5
127.07658	1.7
128.07227	0.5
140.10828	3.8
141.42360	0.3
142.12389	100.0
143.12726	3.0
167.58533	0.3
168.10315	14.1
169.10681	0.5
170.00906	0.7
170.11885	11.8
171.02028	1.9
171.06648	0.6
171.10287	1.9
171.12315	0.6
171.13913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0665
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
50.54469	0.5
53.46339	0.6
59.01381	5.3
61.67009	0.6
63.93597	0.5
66.94534	0.6
69.56982	2.5
71.01384	0.7
82.08747	0.5
103.37888	0.6
109.06601	10.3
127.07665	100.0
128.08015	4.6
130.08749	1.5
141.67128	0.6
158.63301	0.6
171.02005	2.7
171.06627	2.3
171.10266	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	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
54.49570	0.5
59.01391	0.9
65.00312	1.4
69.29345	2.7
79.46782	0.5
86.44881	0.5
86.95702	0.5
93.16417	0.6
99.00903	0.9
99.08155	1.0
123.08153	1.1
125.09721	3.8
127.07655	3.9
127.11300	7.9
130.08762	1.0
138.36700	0.5
153.09164	0.9
165.60109	0.5
170.83243	0.6
171.02019	8.6
171.10294	100.0
171.13937	2.9
172.10635	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	172.0982
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03476	0.4
58.02981	1.2
58.16784	0.3
58.39780	0.2
59.01418	0.5
63.71359	0.2
67.01939	1.0
71.01435	0.3
71.05030	0.3
71.40797	0.3
73.02975	0.3
82.06670	0.7
83.05068	0.3
93.03471	3.3
99.92613	0.2
111.00883	1.5
111.04532	0.5
111.08187	1.0
128.08006	0.4
128.10840	2.8
129.11179	0.2
130.08757	100.0
131.08278	2.8
131.09105	2.9
143.76805	0.2
144.04608	0.3
163.12601	0.2
172.02423	0.5
172.03862	0.4
172.09781	9.6
172.14290	0.3
173.04588	0.3
173.08257	0.6
173.10287	0.5
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
53.00316	2.5
55.01881	8.3
57.03443	3.3
59.01381	7.0
67.01905	2.0
68.99831	2.3
70.76601	1.2
71.01389	100.0
72.01723	1.0
72.99319	2.3
73.02965	8.6
80.99835	1.5
83.01402	9.9
83.05027	1.9
85.02956	4.4
87.00896	3.5
93.03475	8.1
96.99324	3.6
99.00890	41.6
99.04519	1.1
100.01226	1.1
101.02492	1.0
108.14309	1.0
111.00881	8.7
111.04549	3.9
112.98820	34.9
113.99114	1.0
115.00396	3.9
124.98812	25.3
129.02003	2.0
137.02458	1.5
140.98315	1.0
142.99876	53.8
144.00206	2.4
146.71924	0.8
172.99586	1.4
173.00943	9.8
173.04610	1.6
194.79956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
53.00310	0.5
55.01875	1.4
57.03447	4.0
58.02975	2.0
58.04080	0.7
59.01388	5.3
67.01894	6.1
68.44851	0.4
68.99815	0.7
69.03448	0.5
69.74023	1.4
71.01389	20.7
71.05044	0.5
72.99313	1.7
73.02951	2.2
73.22002	0.4
80.99841	0.5
83.01398	2.4
83.05025	0.6
85.02958	22.1
86.03288	0.5
86.06124	0.8
87.00892	1.1
87.02726	0.5
93.03476	3.5
96.99329	1.2
99.00892	9.5
99.01533	0.6
99.04585	0.5
100.07690	2.7
101.02478	0.8
102.05614	1.0
111.00892	54.3
111.04528	2.8
112.01231	1.5
112.08771	0.5
112.98824	7.2
114.05609	1.2
115.00392	0.9
124.98823	8.8
128.07199	3.5
129.01959	3.2
129.05583	0.9
129.07607	0.4
129.10333	0.5
131.08278	100.0
132.06624	0.4
132.08624	1.9
133.06387	0.4
140.98329	0.7
142.99873	21.1
144.06689	0.9
154.99887	1.7
156.07855	2.8
171.98422	0.4
173.00909	2.8
173.04529	2.0
173.08153	1.1
173.10516	3.6
174.07721	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	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76451	0.5
55.71611	0.6
56.78483	0.6
57.03454	4.4
58.02988	0.7
59.01385	0.9
67.01902	10.5
70.80472	1.1
71.01386	2.7
72.99307	1.5
73.02908	0.6
77.47558	0.6
80.89866	0.5
83.01397	0.8
83.05054	0.7
85.02961	85.1
86.03307	3.1
93.03490	2.0
99.00890	1.8
99.04576	0.9
111.00896	100.0
112.01235	2.9
124.98815	0.9
129.01968	11.5
131.08267	4.6
142.99907	1.6
146.49342	0.7
154.99875	2.0
173.00922	2.0
173.04509	1.0
173.09407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.082
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03452	5.2
59.01386	0.6
59.02625	0.3
67.01891	0.4
69.35635	0.9
69.36044	0.6
81.03457	0.8
83.05031	13.4
84.05370	0.3
93.03458	1.6
109.06596	3.6
111.00906	0.8
111.08168	100.0
112.01179	0.3
112.08508	3.9
118.96249	0.3
129.09232	6.2
155.07137	0.4
158.21704	0.3
173.08203	33.7
174.08493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86652	0.2
55.01873	0.2
57.03456	1.2
58.02987	0.3
58.04088	0.4
59.01379	0.3
67.01898	0.7
69.69614	0.3
69.70016	0.3
70.87305	0.2
71.01365	0.3
72.99313	4.6
73.02946	0.4
74.23768	0.2
78.95911	0.4
83.05052	1.0
83.06155	0.5
85.02956	3.9
85.07737	0.2
91.90650	0.2
93.03468	4.3
95.34152	0.2
96.02185	0.2
96.96973	0.5
98.22593	0.2
99.00957	0.2
99.04516	1.1
111.00904	4.6
111.04537	5.2
112.01270	0.2
112.08820	0.5
113.07217	0.4
114.05616	1.8
117.00407	0.2
129.02005	0.3
131.08279	100.0
132.07861	0.2
132.08647	2.6
149.77899	0.2
155.03500	0.3
155.04692	0.2
156.07793	2.4
173.04524	0.7
173.09128	0.3
173.10460	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	173.1045
Annotation	L-Arginine
Peak:m/z	Relative Intensity
54.20425	0.2
55.01882	0.6
57.01255	0.3
57.03460	1.2
57.11185	0.2
58.02972	1.1
58.04090	0.5
59.01388	2.0
66.44196	0.2
67.01890	1.3
67.05490	0.3
71.01389	7.0
71.05028	0.4
71.22804	0.3
72.99319	1.4
73.02960	1.1
82.11428	0.2
83.01402	0.8
83.05045	0.8
83.06141	0.6
85.02962	4.4
85.07732	0.3
87.00873	0.4
88.10573	0.3
93.03461	2.6
99.00890	3.0
99.04550	0.7
102.92091	0.2
111.00896	12.2
111.04533	1.5
112.08781	0.3
112.98839	1.2
114.05614	2.0
115.00349	0.4
124.98840	2.3
125.07223	0.2
128.07191	0.7
129.01956	0.6
129.05606	0.5
129.10422	0.4
131.08281	100.0
132.08646	2.3
137.02467	0.3
142.99879	3.9
154.99915	0.6
155.03496	0.5
156.07817	1.9
166.29645	0.2
173.00945	1.0
173.04588	1.6
173.08043	0.5
173.09285	2.1
173.10492	4.3
174.07681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0614
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
55.44916	0.4
57.03429	0.7
59.01384	14.1
65.48322	0.4
69.37209	0.8
69.37611	1.5
71.05032	1.7
73.02956	29.1
73.45253	0.5
74.03319	0.6
85.06599	42.4
86.06918	1.0
87.00899	0.7
87.04523	1.3
101.06107	1.4
113.06106	39.8
114.06441	1.3
115.04026	100.0
116.04328	2.2
123.54450	0.5
129.05605	1.6
130.38208	0.4
131.07155	8.1
132.98219	3.6
136.65996	0.5
157.05077	8.0
174.82823	0.8
174.89017	0.5
174.99284	1.0
175.06139	43.3
175.09761	1.9
176.03622	0.8
176.06509	1.2
176.97293	0.4
181.56168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73777	0.3
70.75340	0.7
77.03973	3.8
79.01885	0.4
81.03449	2.9
89.03979	9.1
90.04274	0.3
93.03453	2.3
95.05036	5.1
105.03474	26.6
106.03793	0.8
107.01347	0.9
109.02981	0.5
110.29981	0.3
121.02987	1.3
123.04563	1.2
128.79178	0.4
132.02219	0.4
133.02971	49.3
134.03299	2.0
139.04117	0.5
149.02475	4.6
150.03230	0.4
162.03293	1.0
177.01945	100.0
178.02309	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	177.0558
Annotation	(R)-(-)-Mellein
Peak:m/z	Relative Intensity
50.03144	0.9
53.78623	0.9
59.01384	5.0
60.68900	0.9
62.38991	0.9
69.69979	2.6
75.76296	0.9
90.66401	1.0
91.05526	4.0
93.03454	1.2
98.22591	1.3
106.04252	1.2
107.05051	13.0
108.02182	1.5
109.02989	1.4
115.05579	1.7
117.03482	13.8
118.88625	0.9
119.05088	2.5
121.02981	1.8
123.04546	1.8
131.05046	14.7
132.02190	1.0
132.05779	2.7
133.02998	10.5
133.06613	86.6
134.03766	9.3
134.06958	1.8
135.04533	8.2
147.04536	3.3
148.05328	1.3
149.06104	9.5
153.76984	1.1
159.04475	1.1
161.02438	1.6
162.03256	4.6
177.05592	100.0
178.05939	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78329	0.6
59.01376	0.9
62.08042	0.6
63.11125	0.6
69.14686	1.8
69.15115	2.9
75.00906	0.7
85.08563	0.6
91.05543	100.0
92.05881	2.6
99.00893	1.0
115.05553	25.8
116.05862	1.1
117.03459	2.8
129.45937	0.7
133.02959	1.3
133.06609	27.3
135.04527	2.7
159.04520	2.8
162.03230	6.3
177.02032	4.0
177.05574	20.1
177.09235	1.5
178.06131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.92349	0.3
59.96961	0.3
63.62110	0.2
68.44532	0.3
76.34317	0.3
93.03513	0.8
95.05036	0.7
106.04276	0.9
112.87146	0.3
117.61568	0.3
120.02203	0.5
121.02969	0.8
123.04604	0.6
133.03006	0.9
134.03751	4.6
149.02505	1.4
161.02438	1.8
161.58810	0.3
162.03239	100.0
163.03600	4.9
177.01978	1.9
177.05582	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	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79921	0.2
59.01385	0.4
61.98849	0.3
69.79586	0.6
77.50974	0.2
78.38184	0.2
119.93740	5.2
120.93822	0.4
134.96104	35.7
135.96162	2.7
136.94022	100.0
137.94092	5.9
151.92731	11.9
152.70193	0.2
152.92784	0.9
178.95076	49.0
179.95169	3.5
190.41641	0.2
196.96106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36705	0.6
63.02403	54.8
64.02743	1.6
65.00331	20.3
66.00645	0.5
70.79917	1.2
83.01395	25.0
84.92859	0.5
85.30801	0.6
87.00889	1.5
96.02155	0.7
99.19660	0.7
107.01402	50.7
108.01729	1.9
108.88759	0.5
120.51286	0.5
121.21596	0.5
124.01694	0.7
131.18343	0.5
135.04527	0.7
148.75362	0.5
151.00388	100.0
152.00754	4.3
161.04514	0.6
169.01440	16.9
170.01840	0.7
178.99878	43.0
179.05692	1.0
180.00230	2.2
181.54950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.4
70.90005	0.3
71.01382	0.5
75.00909	0.5
83.57626	0.3
85.02947	0.3
87.00891	1.6
91.05560	0.6
93.03475	0.8
93.42850	0.4
99.79779	0.3
101.02433	0.4
106.04275	0.9
107.05038	8.3
108.02178	0.6
115.43742	0.3
117.03485	0.5
121.02964	1.1
134.03752	7.7
135.04535	100.0
136.04872	3.7
137.92235	0.3
146.03763	2.4
151.03970	0.4
161.04565	1.2
161.06068	0.5
164.04823	1.5
179.03497	13.9
179.05629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.20868	0.2
52.85402	0.2
59.01381	1.4
65.09802	0.2
67.27463	0.2
69.47253	0.6
69.47658	0.3
71.01385	1.2
85.02973	0.3
87.00885	3.5
89.02459	0.3
89.03951	0.2
91.05543	0.5
93.03463	0.3
99.00934	0.3
101.02447	0.2
106.04291	0.3
107.05038	2.2
109.03024	0.2
117.01966	0.3
117.03427	0.3
118.49851	0.2
121.02936	0.2
133.06609	0.4
134.03758	8.2
135.04535	100.0
136.04861	4.7
161.04549	0.7
161.06110	0.8
164.01196	0.2
179.03510	14.8
179.05466	0.7
179.07098	0.8
180.03941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.5
61.91012	0.2
63.02395	0.3
65.00330	0.2
69.03455	0.5
71.01392	2.1
71.31812	0.2
73.02946	0.5
75.00883	0.4
78.95904	0.4
79.05531	0.2
81.03452	0.3
83.01395	0.7
85.02960	1.4
87.00883	5.5
87.01391	0.4
89.02441	0.3
89.04012	0.3
91.01880	0.2
91.05534	0.7
93.03473	0.9
94.02970	0.2
95.01361	0.2
97.02984	0.5
99.00886	1.5
101.02457	0.7
106.04258	0.3
107.01410	0.7
107.05040	2.3
108.02200	0.5
108.05379	0.3
109.02979	0.6
113.02434	0.3
117.01972	1.1
117.03478	0.8
118.99322	0.3
119.03490	0.2
121.02904	0.5
123.04460	0.2
123.51235	0.2
125.02473	1.1
133.03061	0.2
134.02736	0.3
134.03760	6.7
135.04543	100.0
136.01657	0.4
136.04863	4.4
136.94026	0.3
137.02443	0.4
141.01994	0.5
146.03761	4.8
151.00415	1.1
151.04018	0.5
151.07599	0.4
159.03064	0.4
161.04579	3.4
161.06033	0.5
163.04010	0.3
164.01202	1.3
164.04803	2.9
169.01463	0.3
177.04253	0.2
178.99889	0.7
179.03535	14.4
179.05618	3.4
179.07155	1.2
180.03821	0.7
180.06584	0.3
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	L-Fructose
Peak:m/z	Relative Intensity
57.03452	2.4
59.01384	87.9
69.03445	2.7
69.40678	7.1
71.01388	46.2
72.99297	3.6
73.02958	3.5
75.00885	12.9
79.96822	1.5
81.03465	2.8
83.01397	2.7
85.02950	9.5
87.00890	23.8
89.02460	20.5
91.05573	2.9
95.01403	3.1
99.00877	6.8
101.02429	7.5
107.01414	2.7
107.05035	4.5
108.02204	1.7
109.02980	2.1
113.02457	5.9
117.02010	3.3
119.03539	1.9
121.02959	4.8
125.02458	2.8
133.02963	2.4
134.03763	9.7
135.04539	100.0
135.08102	2.3
136.01631	2.0
136.04878	4.7
137.02567	2.0
141.01976	1.6
146.03746	3.3
149.02509	1.6
150.03201	1.6
151.03955	2.2
151.07661	1.7
155.64757	1.6
159.03078	1.7
161.04581	10.1
161.05829	1.5
164.01167	2.5
164.04868	4.4
178.99818	3.3
179.03531	17.2
179.05693	13.9
179.07135	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	179.0563
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
53.24015	1.3
55.01862	2.1
57.03449	3.2
57.33918	1.3
59.01384	36.1
63.31142	1.4
69.03458	4.9
71.01386	37.3
71.25085	1.6
72.99317	5.3
73.02950	17.3
75.00882	59.4
76.01205	1.1
77.82597	1.3
78.95917	7.1
79.01920	1.6
81.03467	5.5
83.01389	6.0
85.02961	19.9
87.00887	100.0
89.02444	11.0
95.01410	3.6
97.02968	7.0
99.00889	31.8
99.04523	1.5
101.02468	11.7
105.52792	1.3
113.02477	4.5
117.01954	15.4
121.02901	1.1
125.02478	11.6
129.01961	2.2
135.04582	1.6
136.94032	2.4
139.61964	1.3
141.01959	6.9
143.03539	5.3
146.39087	1.2
155.36140	1.1
159.03009	3.6
161.04581	60.3
162.04904	1.8
175.85303	1.1
177.04013	2.9
179.05646	82.9
180.05969	2.1
199.65472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	L-Fructose
Peak:m/z	Relative Intensity
55.01891	1.2
55.31277	0.8
57.03458	1.5
58.00597	2.1
58.43988	0.9
59.01385	78.2
60.01711	1.1
66.00000	0.8
66.03463	0.9
69.03471	1.7
71.01389	44.8
72.00928	2.0
72.99323	1.7
73.02959	5.3
73.11864	0.9
75.00882	2.9
78.95927	3.8
80.96536	1.1
83.01403	3.1
85.02956	12.9
86.03290	1.3
87.00887	32.9
89.02451	16.1
89.02964	1.7
93.03470	1.0
95.01405	3.4
97.02980	4.1
99.00896	9.5
101.02443	9.4
107.05035	3.5
109.02958	1.4
111.00837	1.2
113.02457	6.1
117.01975	5.2
117.03473	1.4
119.03539	2.5
119.05020	4.6
123.03228	1.0
125.02465	4.9
134.03751	7.2
134.06171	1.2
134.96135	2.7
135.04536	100.0
136.01611	0.9
136.04900	3.6
136.94019	10.9
136.97511	1.0
137.02489	0.9
141.01956	2.9
149.02466	1.1
150.04256	2.1
150.94807	1.7
151.92831	0.9
159.03017	1.0
161.04578	20.4
162.05698	1.5
163.04036	4.7
178.94960	4.2
179.03542	11.3
179.05644	22.5
180.05284	2.9
180.06689	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	179.0563
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
55.01889	1.1
57.03441	1.5
58.00608	1.1
59.01387	51.2
61.30440	0.7
69.03463	1.9
71.01389	32.2
71.03931	1.0
71.05023	2.0
72.99327	6.8
73.02956	11.0
75.00880	100.0
76.01228	1.5
78.95909	2.5
81.03474	5.2
83.01399	2.4
85.02972	13.2
87.00883	33.8
89.02453	14.4
95.01392	1.0
96.96970	1.0
97.02943	4.2
99.00883	21.4
99.04527	3.7
101.02469	5.1
113.02442	3.7
117.01965	4.5
125.02473	4.4
131.03513	2.1
136.64363	0.7
136.93976	1.1
141.01947	2.9
143.03519	11.0
159.02997	2.1
161.04578	24.8
169.99329	0.7
173.43877	0.7
179.05629	67.5
180.05945	1.8
182.91241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51897	0.4
59.01387	4.5
63.02411	0.5
71.01397	2.4
73.02948	1.2
74.99062	0.5
75.00868	1.0
75.14540	0.4
79.01875	0.4
81.03465	0.7
83.01393	0.6
85.02962	1.3
87.00899	6.4
89.02456	1.1
91.05540	5.3
93.03455	1.1
96.56164	0.5
97.02994	0.7
99.00903	2.0
101.02445	1.1
101.05708	0.4
105.03495	1.1
106.04258	0.4
106.90528	0.4
107.01419	1.0
107.05057	2.4
108.02179	1.2
109.02950	1.8
113.02431	0.7
117.01968	1.1
117.03439	0.9
119.01482	0.6
119.05099	0.5
121.02957	1.2
121.06769	0.5
123.04510	1.0
125.02442	1.2
134.03741	5.9
135.04543	67.2
136.01692	0.7
136.04903	2.9
136.07709	0.7
137.02489	0.6
137.66788	0.5
145.02969	4.9
146.03754	100.0
147.00896	0.5
147.04547	5.7
150.05583	0.6
151.00389	0.8
151.04025	1.3
151.07631	0.5
161.04576	4.1
161.06093	14.0
163.04008	3.2
163.07576	0.5
164.04810	55.1
165.05109	2.5
178.99866	0.8
179.03526	9.2
179.05598	4.2
179.07164	9.9
180.04053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
52.36128	0.3
59.01383	1.2
60.01708	0.4
60.69521	0.3
68.02795	0.3
69.03442	0.5
71.01393	1.1
72.01740	0.5
79.01897	0.4
82.02970	0.3
89.02432	0.4
90.02776	0.4
92.05080	3.9
94.02991	1.2
95.01407	1.3
96.96019	1.0
99.56258	0.3
102.02785	0.8
108.04565	53.2
109.02936	0.6
109.04909	1.8
110.02511	0.5
110.03268	0.7
110.06129	0.8
120.04569	5.8
122.02453	0.8
123.00916	2.2
123.03311	1.9
124.01656	0.7
136.04056	0.9
136.93898	0.4
138.05623	100.0
139.05978	3.7
152.03510	0.4
153.01950	0.7
166.99831	0.9
167.99397	0.6
168.00661	0.6
168.04330	0.7
182.01146	0.6
182.04593	23.6
182.07549	1.0
183.03192	1.0
183.04970	0.9
183.06575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.03
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
58.17011	0.4
68.69312	0.3
69.93766	0.7
71.01373	0.6
77.18565	0.4
78.01117	1.5
82.00608	1.1
83.01408	0.5
86.00135	0.8
93.02837	0.3
106.33192	0.3
110.00103	1.2
111.00898	4.2
123.00906	0.9
124.01677	57.1
125.02016	2.1
127.00393	1.5
136.98825	2.8
139.00383	4.7
140.01161	6.5
141.01537	0.4
151.00372	1.0
168.00659	16.2
169.00967	0.6
170.62158	0.3
183.03001	100.0
184.03331	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	183.0664
Annotation	cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
Peak:m/z	Relative Intensity
55.61292	1.1
61.78790	1.1
65.39532	1.2
67.05521	3.9
68.14128	1.0
69.03452	3.0
69.66040	2.0
69.66417	2.6
71.05013	3.4
93.07079	2.6
95.08659	2.9
98.22534	2.5
121.06607	66.9
122.06932	2.9
130.90846	1.1
139.07663	100.0
140.08008	3.4
142.02469	1.0
183.06644	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	183.0664
Annotation	Jiofuran
Peak:m/z	Relative Intensity
52.87783	0.7
59.01383	1.6
67.01877	2.7
69.03454	3.4
71.01366	1.2
71.26180	1.3
73.44625	0.7
78.76225	0.8
81.03464	2.2
82.96247	0.8
83.01403	2.2
92.02690	1.0
93.03480	1.5
95.01380	2.5
95.62018	0.9
97.02957	4.5
101.02432	0.9
103.34184	0.8
107.01420	3.9
107.05035	1.4
111.00887	4.5
117.79603	0.7
120.02174	1.3
121.02969	8.7
122.03760	17.2
123.00909	2.4
123.04514	2.2
124.01678	1.9
124.04005	1.1
125.02458	17.6
135.00888	9.0
135.04530	3.5
136.05307	1.8
137.02335	0.7
138.03255	4.1
139.00388	2.1
139.07664	1.3
149.02498	4.6
150.03236	23.6
151.03865	1.4
153.01950	100.0
153.05568	32.1
154.02292	3.3
165.05533	2.4
167.99385	2.6
168.00664	2.0
168.04291	96.8
169.04575	3.8
183.03075	2.4
183.06628	96.9
184.06927	3.6
202.32584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
50.04292	3.5
57.03454	22.6
59.01382	10.1
67.05536	11.0
69.03465	19.3
69.26671	12.4
69.27072	5.4
71.05021	7.3
81.20888	3.4
93.07130	9.1
111.00806	3.7
112.04040	13.9
113.06158	3.3
121.06606	4.7
121.10228	3.8
122.02493	3.2
124.01681	19.4
124.04018	10.6
129.67419	3.8
139.11295	10.7
165.09311	3.6
168.00700	4.5
181.40785	3.8
183.02992	34.8
183.10294	100.0
184.06174	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	183.1028
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
57.03450	36.5
58.49407	3.1
59.01392	3.9
67.01882	4.0
68.75214	2.9
69.03464	100.0
70.03769	3.5
71.05025	25.5
83.01373	3.0
83.05032	5.5
85.29679	3.1
91.54488	3.1
95.01370	5.4
95.05034	4.3
109.25879	3.2
111.00905	11.4
111.08179	29.8
113.06089	5.0
121.06628	14.6
122.02440	4.5
123.08156	10.5
124.01682	15.3
124.04089	3.7
127.70318	3.5
139.00354	4.2
139.07658	21.8
139.11302	46.0
140.07191	4.4
152.98343	3.4
164.98262	3.4
167.99356	10.2
168.00606	6.1
176.26059	2.9
183.00531	4.8
183.03012	20.5
183.07782	7.2
183.10292	69.9
184.01024	4.4
184.06116	3.8
184.10791	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	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01367	1.2
62.11115	0.4
64.97587	0.4
67.01888	1.0
68.99838	0.5
71.01381	0.5
72.00900	0.4
94.06484	0.4
95.01401	0.6
98.22701	0.8
109.19911	0.4
111.00890	2.1
111.04574	0.5
121.06617	0.5
122.02448	0.5
124.01673	1.5
139.00392	0.9
139.07628	1.0
140.01086	0.5
164.98293	0.6
166.19290	0.4
167.79022	0.4
167.99374	1.7
168.00676	1.0
183.00598	1.0
183.03033	3.8
183.13922	100.0
184.14262	5.1
192.30804	0.5
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
51.77020	0.5
59.01386	0.8
61.98823	2.2
65.62309	0.6
67.01892	0.8
71.31020	0.6
95.01395	0.6
100.28939	0.5
111.00887	1.7
123.00871	1.0
124.01672	1.3
127.25830	0.6
127.42591	0.6
137.91336	0.6
139.00404	0.9
152.98328	0.9
153.00725	0.8
153.22206	0.5
167.99396	1.5
168.00673	1.0
182.85930	1.2
183.00581	1.2
183.03047	2.5
183.04900	0.8
183.13913	100.0
184.14252	4.7
196.53040	0.5
201.19453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	10.3
59.96619	5.9
66.91458	5.9
86.19791	5.8
108.54742	5.4
129.38441	6.0
140.02049	45.0
140.89661	10.8
141.28941	5.8
141.99950	15.1
154.79488	5.4
184.01010	100.0
187.79959	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	184.0616
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
52.35374	0.8
59.01385	50.9
59.76502	0.7
70.02998	2.4
70.91983	1.1
71.01387	14.1
84.04559	10.4
94.03003	4.6
95.05019	1.3
95.06226	0.8
97.01719	6.1
97.24374	1.0
98.06157	1.3
98.22525	0.9
108.04624	0.9
110.02503	2.5
111.03247	1.0
112.04059	100.0
113.02463	1.8
113.04387	2.8
113.05135	0.8
122.02491	2.3
122.06136	7.8
124.04056	69.5
125.02324	0.6
125.04391	3.0
139.00374	1.0
140.07188	33.8
141.05568	1.1
141.09222	0.9
154.02274	2.0
166.05109	5.5
167.03552	1.1
169.04671	2.0
184.06157	63.1
185.06451	2.5
185.11891	1.1
185.15459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.9943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72446	0.8
58.30211	1.1
59.01373	6.8
65.00318	3.4
67.87025	0.8
69.03465	1.4
69.20605	5.5
69.98973	1.0
71.01378	1.6
72.99310	1.3
75.78363	1.0
78.95908	13.7
82.02983	2.9
84.04549	3.6
85.02921	1.6
87.00873	2.7
96.96970	1.0
96.99312	2.0
97.02978	1.6
99.00832	1.4
103.00390	4.5
110.98544	16.2
111.04559	1.6
113.83142	0.9
115.02515	5.1
117.00456	41.2
118.00497	1.4
118.17304	1.0
123.00671	1.1
123.04513	2.6
124.98786	3.6
133.74811	0.9
141.01942	1.2
141.06728	1.0
142.05049	2.2
142.08754	3.0
142.53477	0.9
142.96651	14.0
152.98376	1.1
154.97610	1.4
157.95341	2.7
159.01506	100.0
160.01631	6.7
160.97701	7.6
167.03493	1.8
174.99332	1.1
175.96375	3.3
184.97672	3.9
184.99390	3.2
185.02174	3.3
185.04529	3.4
185.09367	2.1
186.07761	9.7
202.98761	1.9
204.67410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.9942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.8
68.49966	0.3
71.40952	0.3
72.99306	0.9
73.01448	0.4
73.21465	0.3
73.31414	0.3
74.99382	1.7
78.95914	5.3
89.96340	0.3
95.01380	0.5
96.96995	0.5
97.06584	0.5
98.99371	0.9
99.00896	0.4
99.92600	0.8
105.33659	0.3
110.98537	6.8
113.02451	1.3
115.02522	6.2
117.00452	46.9
118.00539	3.3
123.00884	0.6
125.02438	0.6
132.98157	0.4
141.01947	0.5
141.05579	0.8
141.09184	0.5
142.96638	9.4
142.99934	0.3
146.62904	0.4
152.99664	0.5
157.95351	2.7
159.01505	100.0
160.01619	8.3
160.97685	4.2
175.96411	1.6
184.97682	3.0
184.99426	3.0
185.02126	1.5
185.04582	0.4
185.11749	0.7
185.15485	0.6
186.07703	0.4
199.54097	0.3
202.98801	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	185.0821
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
53.87949	0.3
54.00314	0.3
59.01392	0.7
59.64956	0.4
69.03436	0.5
69.37509	0.7
69.37920	1.1
73.49723	0.4
74.69744	0.4
74.85915	0.4
80.02676	1.8
95.05054	0.4
97.06574	0.5
98.21954	0.7
123.08175	100.0
124.08514	3.4
126.42652	0.3
140.89679	0.6
141.09230	55.1
142.09541	2.4
185.08205	9.0
185.11845	4.2
185.15497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	2-Oxodecanoic acid
Peak:m/z	Relative Intensity
50.12556	0.6
57.03461	0.9
59.01376	1.8
69.03478	1.7
72.99313	50.3
94.32529	0.6
97.02951	1.0
99.08178	3.0
112.98830	1.5
123.08126	0.8
139.11305	48.7
140.11642	2.3
141.09239	2.5
141.12865	1.9
160.41750	0.8
167.10786	100.0
168.11159	4.0
185.11845	59.6
185.99644	5.3
186.12190	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	185.1184
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
52.94002	1.2
57.03442	2.1
71.05031	1.6
98.22674	3.3
124.39222	1.5
139.11307	49.9
140.11571	1.7
141.12886	1.4
185.11855	100.0
186.12198	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	186.0562
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
69.74000	0.5
98.22610	0.2
116.05071	1.9
130.06680	0.3
140.05115	0.5
142.06638	100.0
143.06984	4.5
146.65359	0.1
158.06155	0.3
186.05623	2.8
187.07581	0.2
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
50.96477	0.4
57.03455	4.1
59.01391	0.6
71.01388	0.5
71.44503	0.5
83.05036	0.5
85.78738	0.4
95.05048	0.7
97.06594	13.6
97.07222	0.8
98.06969	0.7
101.78344	0.3
107.50333	0.3
123.08174	6.3
125.09734	100.0
126.10070	3.8
141.86833	0.4
143.07114	0.7
143.10797	2.3
167.40024	0.3
169.08707	2.4
187.09770	39.2
188.10104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.077
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03459	0.9
59.01371	2.9
64.81353	0.5
65.15287	0.5
69.37074	2.5
69.92816	0.5
71.05027	2.7
83.05064	0.8
85.06602	0.5
88.23214	0.5
98.22692	1.0
99.08165	32.2
100.08503	0.8
101.06096	0.8
108.49322	0.5
127.07663	34.5
128.07994	1.3
129.05591	100.0
130.05937	2.6
145.02853	0.7
145.08723	5.2
153.80336	0.5
171.06621	5.7
189.07693	40.3
190.07954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.55539	0.3
57.03457	6.1
59.01384	3.1
67.01899	3.6
70.25564	0.8
71.01396	1.0
71.57365	0.4
73.02926	0.5
83.01391	0.4
83.05006	0.3
85.02957	35.0
86.03284	1.0
87.00884	47.3
88.01251	0.4
93.03486	2.0
96.14376	0.3
98.22597	0.4
99.00887	0.7
101.02431	0.6
103.03986	0.4
109.02933	0.7
111.00892	100.0
112.01228	2.0
112.98822	1.2
127.04012	1.4
129.01952	5.6
130.99855	0.7
139.08777	0.3
154.99884	0.7
162.97586	0.3
173.00928	1.9
173.04568	0.9
186.76321	0.3
191.02014	9.5
191.05621	21.5
192.02431	0.3
192.05971	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.38368	0.4
57.03450	6.1
59.01381	6.1
67.01898	4.2
69.03483	0.5
71.01386	5.0
73.02919	1.3
79.36766	0.3
81.03459	0.9
83.01383	0.7
83.05030	1.4
85.02956	49.2
86.03304	0.8
87.00883	39.4
88.01218	0.6
88.84287	0.4
91.75280	0.4
93.03465	7.8
99.00896	2.3
99.01442	0.4
99.04530	1.2
100.88878	0.3
101.02449	0.8
109.03005	1.8
111.00892	69.5
111.04527	3.4
112.01228	1.5
112.98823	5.7
121.87315	0.3
127.04025	5.2
129.01981	4.0
137.02422	0.7
162.94775	0.4
171.03036	1.1
173.00922	1.0
173.04575	2.2
191.02052	6.8
191.05624	100.0
192.05925	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	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
71.62778	0.3
79.45904	0.3
85.02951	1.6
87.00886	2.2
111.00898	4.5
118.99345	0.5
119.05045	1.3
121.02968	100.0
122.03307	3.3
142.68925	0.3
147.04527	6.2
157.66229	0.2
191.01981	0.3
191.03532	4.9
191.05598	1.2
191.10767	0.4
192.03915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0564
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.24133	0.2
57.03443	1.2
58.19132	0.2
59.01381	4.0
67.01903	1.5
67.02219	0.3
69.03448	0.8
69.63354	0.2
71.01390	2.2
72.99313	0.4
73.02951	1.0
73.38731	0.2
76.13881	0.2
78.95935	0.2
81.03461	0.9
83.05032	1.1
85.02956	30.4
86.03262	0.5
87.00881	9.6
92.43118	0.2
92.96004	0.6
93.03464	8.1
94.03818	0.2
97.02972	0.2
99.00894	0.7
99.04507	1.3
101.02435	0.4
109.02966	2.0
111.00890	12.8
111.04514	2.3
112.01239	0.4
113.02425	0.4
124.42407	0.2
125.02396	0.3
127.03134	0.4
127.04025	4.9
129.01961	0.6
137.02451	0.5
147.03033	0.3
148.95012	1.5
153.01939	0.3
154.91568	0.4
155.03581	0.3
171.03021	1.6
173.04530	2.1
191.05626	100.0
192.05991	4.0
197.63231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67111	0.3
57.03454	4.2
59.01382	5.4
67.01890	2.4
69.03461	0.6
69.77740	1.3
71.01392	2.7
72.99301	0.8
73.02961	1.6
81.03472	1.1
83.05043	0.8
85.02956	39.8
86.03282	0.8
87.00883	26.9
88.01229	0.5
93.03471	8.0
94.03790	0.4
97.02988	0.4
99.00901	1.1
99.04512	0.9
101.02484	0.9
108.02175	0.3
109.02953	1.9
111.00889	46.7
111.04506	2.9
112.01251	1.0
112.98821	1.6
113.02498	0.3
122.38638	0.3
127.04027	5.1
129.01964	2.5
137.02457	0.3
152.34442	0.3
155.03596	0.5
162.94823	0.5
171.03023	1.0
173.00978	0.8
173.04552	1.6
190.94397	0.5
191.02074	4.9
191.05620	100.0
192.05969	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	193.0144
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
65.00311	0.5
67.01904	0.6
69.16327	3.2
93.03464	2.5
95.28059	0.6
109.02966	9.7
119.01444	0.9
121.02973	7.4
127.64292	0.4
134.03749	3.7
137.02461	23.1
138.02803	0.9
147.00897	1.3
149.06129	0.7
165.01949	17.2
166.02222	1.0
167.89966	0.5
175.00360	3.9
178.02762	1.9
193.01439	100.0
194.01788	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	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
51.62362	0.3
62.59558	0.3
64.33674	0.3
65.40247	0.3
69.16484	0.3
69.16696	0.9
69.17094	0.9
72.43407	0.3
87.63411	0.3
89.03971	2.6
106.04234	0.8
109.04028	0.3
117.03483	7.0
121.02955	0.9
133.02991	2.6
134.03752	100.0
135.04076	3.2
137.02444	2.9
139.04022	0.9
149.06100	7.9
150.03207	0.3
157.32405	0.3
159.91153	0.3
175.17397	0.3
178.02725	19.8
179.03096	1.0
193.05074	12.5
193.06470	0.2
194.05432	0.6
210.95656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03900	0.2
65.00305	0.2
69.09835	1.1
89.03972	2.9
106.04249	0.9
108.02197	0.2
117.03477	4.9
118.03800	0.3
121.06607	0.4
133.02980	0.2
134.03752	100.0
135.04091	3.1
136.01651	0.2
137.02466	0.4
139.04091	0.2
149.02452	0.2
149.06114	2.1
161.02556	0.2
178.02733	3.5
193.01534	0.3
193.05074	5.5
193.06755	0.4
194.05449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
56.04521	0.2
58.94705	0.2
59.72411	0.3
66.77657	0.3
68.17501	0.2
69.53408	1.1
84.66741	0.2
85.67653	0.2
93.03472	0.4
95.01405	0.4
105.03460	0.6
106.04253	0.8
108.02182	0.3
108.04763	0.2
109.02934	0.3
111.00913	0.4
121.02937	1.9
133.02971	20.4
134.03758	33.7
135.04091	1.4
136.01717	0.3
137.02449	9.2
138.02795	0.3
139.04048	2.4
148.98836	0.4
149.02463	0.5
149.06094	0.4
150.03284	1.3
161.02458	30.4
162.02794	1.1
163.04065	0.3
165.01842	0.3
166.15099	0.3
178.02759	4.8
193.05069	100.0
194.05418	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	193.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56203	2.7
51.94440	2.5
55.01867	12.8
57.03424	2.7
59.01369	6.7
65.00323	6.8
69.53798	4.1
69.54197	8.1
71.01389	4.1
75.71058	2.7
76.24818	2.7
79.05533	4.2
81.03483	3.2
87.04526	14.7
92.99804	6.6
93.03478	3.2
95.01394	9.5
105.07099	4.7
121.02953	12.2
123.04493	3.4
133.10228	15.4
134.03746	31.4
136.01706	3.9
137.02446	8.3
143.08682	7.5
146.07350	8.6
148.98810	10.5
149.02393	6.4
149.06097	6.7
150.03152	3.4
150.94778	10.0
161.04654	3.6
161.08452	5.5
161.09743	83.7
163.11287	12.7
178.02698	34.7
178.09956	3.6
179.02321	8.0
192.95973	4.7
192.97803	7.8
193.01425	12.9
193.05078	10.8
193.08717	85.2
193.12340	100.0
193.14114	5.2
193.16025	3.4
194.09056	2.9
194.12701	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	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
69.09656	3.6
74.44459	0.8
75.00883	0.9
83.01392	0.8
83.80006	0.6
93.03454	4.0
95.01414	1.0
98.22716	1.2
105.03493	0.7
107.05048	3.6
108.02197	8.9
109.02950	0.9
110.26869	0.8
111.00903	3.2
121.02961	5.0
122.03764	14.6
123.00909	6.6
123.04573	1.4
124.01701	5.0
125.02461	1.0
133.02942	1.2
134.03818	0.8
135.00908	1.1
136.01694	2.4
137.02470	1.4
139.00389	0.8
144.58890	0.6
149.02466	17.1
149.03613	1.1
150.03249	100.0
151.00349	1.1
151.03944	3.6
152.01082	1.0
152.91808	6.2
152.94507	1.0
157.24602	0.8
160.84261	1.7
164.04890	3.1
165.01973	2.0
165.05591	78.5
166.05910	3.6
167.03490	1.3
167.90497	1.8
174.81622	0.7
176.98245	0.8
177.05557	0.7
180.04305	10.3
181.00212	3.8
194.90732	1.2
194.92876	2.4
194.99377	1.6
195.02991	15.9
195.04680	1.1
195.06610	6.4
195.13895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	5-Hydroxyconiferyl alcohol
Peak:m/z	Relative Intensity
58.00602	17.4
59.01379	9.6
59.51916	1.1
61.98831	3.1
70.57917	2.3
71.01403	1.7
75.00880	3.5
78.95911	7.8
79.43338	0.9
87.00879	1.5
93.03460	2.6
95.05055	1.3
105.03450	2.9
107.05024	4.9
108.02193	7.3
109.02950	1.6
121.02968	49.5
122.03771	29.5
123.00904	2.6
123.04552	15.0
124.01604	1.4
133.02986	13.2
136.01646	1.3
136.82599	1.0
137.02431	3.7
137.06116	2.4
138.30994	1.0
149.02434	1.4
149.06093	1.3
150.03250	20.5
151.04045	6.5
152.91786	53.0
152.94490	8.9
154.02724	2.4
162.03281	1.4
163.04073	2.4
164.65520	1.0
165.01929	11.7
165.04311	1.5
165.05591	19.0
167.90498	16.6
170.92805	1.3
172.53412	1.1
174.16920	0.9
177.01984	15.9
177.05490	1.1
180.04306	100.0
181.00195	2.3
181.04596	3.2
194.92812	24.2
194.95485	5.1
194.99388	1.4
195.03004	4.0
195.06642	33.2
196.06979	1.2
212.93921	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	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24226	0.8
56.19715	0.7
59.01368	4.0
70.00249	2.4
72.99298	2.6
75.00874	2.5
80.35040	0.8
81.03450	0.8
82.02986	1.2
87.00883	87.8
91.05540	9.6
93.03441	1.9
98.22003	0.9
105.03480	2.6
106.04237	2.7
107.05039	10.8
108.02162	1.1
109.02946	0.9
115.05544	1.6
117.03481	2.5
119.05065	0.8
121.02959	1.7
123.00861	1.4
123.04543	7.2
133.02974	12.2
133.06601	9.5
134.03775	5.6
134.61629	0.8
135.00983	0.9
135.04544	9.8
137.02428	1.3
147.04514	1.2
148.05319	2.3
149.06091	85.4
150.03217	2.8
150.06406	3.3
151.00334	0.8
151.04013	3.1
151.22810	0.9
152.91786	1.6
162.03207	2.1
165.01991	0.8
165.05582	1.6
167.90332	0.9
177.05576	83.7
178.05916	3.7
180.00758	0.7
180.04274	5.9
181.00195	1.6
194.92761	1.0
194.99475	1.4
195.06631	100.0
196.07011	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0665
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
59.01376	1.0
61.98841	0.9
71.01397	0.7
72.25988	0.7
83.01379	0.9
84.20379	0.7
88.32555	0.8
93.03473	3.6
95.01409	2.0
102.67090	0.8
107.01430	0.8
107.05067	1.0
108.02186	8.3
111.00899	1.2
121.02938	4.4
122.03757	13.3
123.00146	0.8
123.00914	5.6
123.04560	1.2
124.01698	5.8
133.02968	1.4
136.01669	2.5
137.02368	1.6
143.34677	0.8
149.02451	17.2
150.03246	100.0
151.03790	3.4
152.91765	5.3
152.94576	1.3
160.84235	2.5
164.04834	3.4
165.01904	2.5
165.05583	78.9
166.05919	2.6
167.03539	1.5
167.90520	1.3
176.89664	1.4
180.04329	7.0
181.00191	2.2
194.90599	1.1
194.92822	2.0
194.99313	1.3
195.01363	1.5
195.03004	15.7
195.04906	1.2
195.06644	6.1
214.23129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
58.24406	0.2
62.23795	0.2
70.38783	0.2
75.19600	0.2
90.38400	0.2
90.75669	0.2
94.33647	0.2
94.84262	0.2
95.05038	0.2
98.22675	0.5
100.49162	0.2
100.93322	0.2
109.06600	4.8
109.95852	0.2
111.08171	4.0
112.08519	0.2
122.03706	0.3
123.00903	0.3
125.09714	0.8
135.11804	0.4
137.70882	0.2
138.06876	3.1
139.07617	0.4
150.03224	0.3
151.11298	0.6
152.91739	0.3
160.84247	1.8
164.08545	0.2
167.14435	6.8
179.10782	4.8
180.11487	0.3
194.91718	0.3
194.99426	0.3
195.13908	100.0
195.81110	0.7
196.14258	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	197.0205
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00335	1.1
62.34741	0.5
64.00643	0.6
64.01893	0.5
65.01434	0.9
65.40949	0.4
65.99856	3.5
67.01898	0.6
68.01435	0.5
68.99812	1.0
76.01928	2.1
77.00330	0.8
78.03492	3.3
79.01898	0.7
92.01445	1.1
92.99832	0.8
94.02979	1.1
95.01389	2.1
98.21900	1.3
104.01436	3.5
104.99844	1.1
105.02216	1.1
106.02994	1.1
108.02180	1.4
109.01714	1.3
109.02943	3.6
119.02505	0.6
120.00948	3.0
121.02964	0.8
121.40347	0.5
122.02464	1.6
123.00897	4.1
123.03292	1.4
126.90553	0.7
132.00882	1.2
133.01733	3.0
136.00388	0.7
137.01189	1.9
137.02411	1.7
138.01988	1.6
138.03201	0.9
140.83867	0.5
149.01260	0.5
150.01990	7.8
151.02736	1.7
153.05618	1.0
160.84215	1.2
162.83942	2.7
163.01581	0.7
166.99835	2.3
167.01099	0.7
167.02228	2.6
167.99367	3.5
168.01724	1.0
179.01067	3.1
179.74246	0.5
180.01765	5.6
182.02219	5.5
183.01686	3.7
197.02049	100.0
197.11835	2.0
197.80812	0.8
198.02365	3.3
198.04004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0458
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
53.51985	0.4
56.91757	0.5
58.44193	0.4
67.01897	0.7
70.57423	0.9
78.01113	1.0
88.23219	0.4
88.35876	0.4
89.00346	2.0
91.01904	0.7
95.01399	17.4
106.00623	1.9
109.02999	0.8
119.20839	0.5
121.02970	18.0
123.00901	73.6
124.01225	1.5
124.42862	0.4
136.98819	0.4
137.02403	0.6
138.03242	17.8
138.04320	0.9
139.03590	0.5
153.02078	0.5
153.05591	12.6
166.99879	49.8
168.00273	0.7
181.01451	1.4
182.02229	100.0
183.02631	2.9
190.02992	0.5
197.04565	25.5
198.04903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.40334	0.5
57.73162	0.5
59.01388	0.5
59.26707	0.5
61.43336	0.4
65.00330	0.8
65.29804	0.4
66.26958	0.5
69.03455	2.1
69.87313	1.6
78.85444	0.4
82.03044	0.4
83.05024	1.1
87.40012	0.4
95.01380	0.9
96.95982	0.5
107.06193	0.6
109.02983	0.6
112.01675	0.6
116.92858	1.2
121.02953	0.8
123.00898	4.0
126.90489	1.9
138.03224	1.1
141.09209	1.3
151.11313	0.9
153.05576	0.6
153.09207	1.6
153.12871	5.1
154.13226	0.5
160.84218	3.6
161.80772	0.4
162.83926	9.0
166.99869	2.1
167.99411	4.8
168.28462	0.5
169.12354	19.8
170.12651	0.6
179.10820	2.3
182.02228	4.8
183.01714	4.4
197.04588	1.3
197.11844	100.0
197.80786	4.2
198.04070	1.0
198.12167	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.98822	3.5
69.03458	2.6
69.22361	7.6
79.92506	1.5
81.03469	1.8
83.05064	1.8
95.01393	6.5
96.04584	2.6
97.73068	1.7
107.06177	4.0
109.03009	2.4
112.01665	4.1
116.92883	3.3
121.02982	4.3
123.00912	26.5
126.90525	6.3
138.03229	2.0
144.61209	1.7
148.23563	1.7
153.05617	5.5
153.09222	3.2
153.12895	4.7
160.84247	34.8
161.84326	5.0
162.83934	92.7
166.99899	14.4
167.99408	16.4
169.12347	16.3
178.99910	2.5
182.00732	1.3
182.02234	37.8
183.01714	19.7
197.02049	3.4
197.04561	6.2
197.11853	100.0
197.80814	44.5
198.04105	6.8
198.12215	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	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01368	0.8
65.00327	0.8
69.03461	1.4
69.25387	1.4
69.25796	1.4
71.05019	1.2
71.77840	0.5
80.96503	0.5
82.02961	0.6
95.01398	1.8
96.04603	0.7
97.06593	14.2
99.08170	4.9
109.03000	0.8
111.08180	0.6
112.01690	0.6
116.92858	1.3
121.02986	1.2
122.03743	2.2
123.00906	6.6
123.04375	0.5
125.02456	0.6
125.09758	1.1
126.03197	1.3
126.90508	2.3
137.09732	1.5
138.03284	1.3
144.36652	0.5
145.37140	0.5
151.11259	1.2
153.05605	1.5
153.12865	100.0
154.13222	3.6
160.84227	1.1
162.83932	4.6
166.99878	4.2
167.99376	6.9
169.12340	0.7
174.67392	0.5
178.99852	0.7
179.10788	20.2
180.11174	1.0
182.00618	0.8
182.02202	8.5
183.01721	6.5
197.02008	2.0
197.04694	2.6
197.11829	11.8
197.13522	1.1
197.15500	2.3
197.80817	1.4
198.04074	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01337	1.5
65.00329	2.4
69.03445	2.1
71.41989	1.2
83.05008	1.4
95.01386	1.8
107.06165	1.1
109.02953	2.1
116.92879	2.4
121.02979	2.5
123.00887	7.9
124.00420	1.1
125.02373	1.2
125.09777	1.2
126.90494	6.4
135.04527	1.3
138.03233	2.7
151.11255	1.7
153.01932	2.6
153.05577	2.0
153.12903	5.4
160.84196	3.1
162.83929	16.2
166.99884	5.9
167.99365	13.4
169.12364	16.4
169.13670	1.9
178.99820	1.6
179.10747	1.8
182.00754	2.1
182.02223	12.6
183.01743	11.3
197.02104	2.8
197.04578	2.1
197.11845	100.0
197.80811	7.4
198.04080	3.2
198.12189	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	197.1548
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
57.03453	3.9
61.98842	2.3
65.00343	1.9
69.03445	1.9
76.35684	1.2
80.02695	1.4
81.03486	2.3
83.05038	11.9
88.74272	1.3
93.03455	1.4
95.01394	4.5
95.05051	5.7
97.06596	31.4
98.86929	1.3
107.06181	1.5
109.06604	2.7
111.08170	26.2
111.08888	2.1
116.92856	2.7
121.02947	2.8
123.00896	12.8
125.02425	1.3
126.90527	4.5
131.28304	1.1
137.09738	1.5
138.03229	2.5
147.11810	2.5
153.05548	2.8
153.12865	4.7
160.84204	7.6
162.83928	19.7
163.11285	9.5
165.12863	100.0
166.13225	4.5
166.99908	6.8
167.99384	10.9
182.02214	17.8
183.01738	13.9
197.02187	1.8
197.04576	5.1
197.11824	5.6
197.15553	2.9
197.80820	8.2
198.04123	3.2
203.24434	1.4
207.69928	1.3
209.11835	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	198.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61617	0.8
51.69217	0.8
55.01876	3.4
57.03452	4.6
58.02970	0.8
59.01389	7.6
65.00322	1.1
66.03476	3.1
67.01862	1.0
68.05072	1.4
69.03448	3.1
70.02957	0.9
71.01015	1.7
71.01382	19.8
72.04552	1.5
73.02966	1.2
77.62235	1.0
78.01947	0.9
78.95924	1.1
81.02198	2.2
81.03453	1.3
82.02991	41.4
83.01392	23.1
83.05021	1.9
84.01704	0.9
84.04541	3.4
85.02956	7.4
86.02476	1.0
86.61742	0.8
93.03475	1.9
94.02994	2.9
95.05051	2.5
96.04560	100.0
96.12199	0.9
97.02953	7.7
97.04874	2.2
98.02488	3.2
100.04051	10.1
101.02436	9.8
107.05040	21.2
108.04581	2.5
109.02989	1.0
109.06580	2.4
110.02468	3.1
110.03755	1.0
110.06083	1.2
111.04539	1.8
112.04065	2.1
114.05636	1.0
117.00438	4.0
119.05015	3.0
121.02989	1.6
122.03735	4.0
122.06132	11.2
123.00922	1.7
123.04533	1.5
124.01189	1.2
124.04062	13.3
124.07667	1.5
125.06087	2.3
127.02494	2.1
129.00484	1.4
129.04091	5.8
130.08740	1.4
131.02034	4.9
132.04549	6.8
134.06126	5.1
136.04047	5.7
136.07687	1.4
137.06093	9.5
138.05580	3.1
150.05634	16.2
152.03535	2.8
152.07227	1.3
154.05103	8.5
155.01981	3.6
155.10735	1.3
156.99953	9.3
162.05615	9.5
167.99345	9.9
168.06680	1.2
171.01524	13.4
173.03065	67.8
180.06664	2.6
183.01631	8.2
198.04004	5.7
198.07722	3.9
199.01009	26.8
199.06158	1.1
199.13275	1.1
199.17044	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	198.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
57.49119	2.1
58.02966	3.2
61.98829	6.7
62.19385	2.1
69.03447	6.0
71.01394	3.2
72.04541	2.4
81.07112	4.5
82.02994	43.1
83.01395	23.0
83.05048	2.4
84.04544	5.2
85.02958	8.0
86.44307	2.5
90.20194	2.1
93.03441	3.7
94.02996	4.2
95.05037	4.1
96.04565	100.0
97.02959	11.6
97.57093	2.2
98.02498	2.4
100.04052	10.0
101.02446	8.5
107.05041	23.4
108.04553	7.0
109.06591	3.0
110.02485	3.5
111.04525	5.1
112.04063	3.2
122.03722	2.5
122.06117	12.4
123.04435	2.7
124.04089	12.3
124.04840	2.8
125.06154	2.1
132.04611	3.9
134.06155	8.4
135.04529	2.4
136.04018	5.1
136.04913	14.8
136.07666	6.0
137.06119	10.2
137.97908	2.2
138.04683	2.0
138.05669	6.9
150.05658	15.3
152.03543	2.8
154.05055	4.2
155.07146	3.6
162.05630	7.4
167.99368	32.2
168.00505	2.3
180.06683	3.6
183.01685	32.3
198.04082	8.7
198.07726	12.2
199.06140	2.8
199.17026	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	199.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	23.4
57.03453	9.5
59.01393	1.4
67.01905	2.6
68.35201	1.0
69.03469	1.2
69.16970	4.1
71.01372	1.4
71.05040	1.6
81.03470	4.7
83.01366	1.8
83.05038	1.8
93.07104	32.1
95.05019	1.1
97.03007	1.0
109.06609	3.7
111.00883	2.9
111.04514	1.0
111.08170	91.2
112.08494	2.1
120.47171	0.9
137.06081	7.2
137.09721	1.1
155.07156	100.0
155.10739	2.2
156.07478	1.9
168.99765	1.3
184.02177	1.2
195.59621	1.0
199.04437	1.8
199.06152	18.6
199.09851	2.0
199.13455	3.0
199.15437	1.1
199.17012	6.5
200.01498	1.1
200.06631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0613
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
55.01880	22.2
55.09120	1.0
57.03455	10.3
62.16607	1.2
63.79827	1.2
69.95530	2.2
81.03468	3.9
83.05047	1.2
93.07104	32.4
98.21956	1.5
109.06596	2.5
111.00860	1.3
111.08168	90.5
112.08510	3.7
113.82874	1.0
127.00366	1.3
137.06091	4.7
142.56125	1.0
152.39828	1.0
155.07158	100.0
156.07515	3.1
170.93442	1.0
179.89534	1.1
190.43695	1.1
199.06119	18.5
199.09451	1.0
199.13388	2.1
199.17166	2.5
211.58324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.99134	0.2
53.05616	0.2
59.01384	0.7
67.01833	0.2
69.25478	1.5
73.02945	2.8
74.76015	0.2
81.03500	0.3
83.01373	0.4
83.05033	0.7
92.99836	0.4
97.68126	0.2
99.00870	0.4
111.00871	0.5
119.65825	0.3
127.93149	1.0
135.08180	1.3
137.09732	9.6
139.93195	0.5
154.95493	1.1
155.10788	100.0
156.11133	3.5
162.83897	1.9
163.83977	0.4
164.83646	1.9
181.08696	0.6
184.02103	0.3
199.09764	7.2
199.13493	0.8
199.17020	0.6
199.80559	0.9
200.10141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
50.51167	0.6
57.03447	1.8
57.20026	0.5
65.22328	0.6
67.05519	1.5
69.03461	19.8
69.17515	2.0
69.17925	1.8
70.03779	0.7
71.01405	1.5
72.38668	0.6
72.99317	19.4
75.00867	1.2
79.05522	0.6
81.03486	0.6
83.05035	1.3
85.02952	1.2
86.77731	0.7
97.06561	0.8
105.07113	2.2
106.96726	0.7
107.08685	8.4
109.06593	0.8
111.04544	1.5
119.08638	2.0
123.08176	6.8
125.09735	1.8
127.93150	0.9
133.06613	2.7
135.08145	3.0
137.09689	1.1
151.07666	1.3
153.09238	4.8
154.95511	1.0
155.10776	1.6
163.07671	2.9
169.08690	5.3
181.08727	11.4
197.08224	0.8
199.09782	100.0
199.17073	1.8
200.10173	5.0
203.03439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01719	0.6
63.19500	0.3
69.10107	0.3
69.83325	0.6
69.83643	0.3
89.55065	0.3
98.21928	0.4
104.67802	0.3
115.02513	0.5
128.03542	0.5
132.98233	0.9
141.93684	0.4
152.72682	0.3
157.03572	4.7
158.03746	0.3
158.99767	0.3
159.00223	0.3
159.01537	3.2
168.19986	0.3
174.08041	0.3
174.99258	3.6
200.97290	0.3
201.02571	10.5
201.11375	0.7
202.02724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01724	0.7
63.02808	0.3
68.78561	0.3
75.39004	0.3
109.12700	0.3
157.03578	5.7
159.01498	1.8
164.67407	0.3
201.02553	9.9
202.02715	0.5
205.68468	0.3
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
59.01383	100.0
60.01720	0.9
66.95576	0.2
70.78307	0.4
71.01395	0.3
85.17924	0.3
88.04078	0.6
90.52663	0.3
94.72950	0.3
100.09126	0.2
122.53306	0.3
137.05612	0.3
148.44724	0.3
157.01788	0.4
157.02280	0.4
157.03584	5.0
157.13603	0.4
159.01523	1.8
175.02808	1.4
201.00746	0.6
201.02541	8.5
201.12494	0.4
202.02832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.91419	0.4
57.03452	5.3
59.01389	4.6
65.77439	0.5
69.03471	0.6
69.27162	2.2
71.05019	0.9
83.05047	0.7
101.03490	0.5
111.08186	6.2
111.81311	0.5
118.12518	0.5
137.09746	2.0
139.11301	100.0
140.11636	4.2
141.93237	0.9
150.26923	0.5
157.12331	1.3
183.10274	46.6
184.10626	1.3
201.11334	79.3
202.11664	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03456	6.5
59.01386	10.9
63.79031	0.5
64.49620	0.4
66.47942	0.5
67.05531	0.7
69.03458	2.2
71.05034	2.8
71.40868	0.6
72.99317	33.0
73.02972	0.5
73.99676	0.5
74.00102	0.5
83.05037	1.2
85.02950	0.7
87.04530	2.9
93.07095	2.4
95.05020	0.6
95.08655	0.9
96.95991	2.4
109.06593	0.7
111.08178	4.2
113.02451	1.3
121.06607	3.4
121.10255	1.4
125.09722	1.5
127.11314	2.5
128.64275	0.6
131.03505	0.6
137.09744	1.8
139.11282	2.0
141.09186	0.6
155.10796	10.9
157.03557	1.1
165.09232	2.0
171.10271	1.4
172.05243	0.7
173.06039	0.6
183.10280	45.0
184.10625	1.3
187.04086	0.5
199.09715	1.0
201.02554	1.0
201.11336	100.0
202.11722	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	201.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47790	0.5
59.01384	100.0
60.01716	3.0
90.97148	1.1
95.38280	0.5
97.94695	1.2
98.21884	0.5
99.92596	95.0
100.92616	4.4
100.93254	0.9
104.97757	1.1
111.30032	0.5
115.92096	0.9
115.94434	0.7
121.18549	0.5
127.93189	1.5
128.95166	0.6
130.94296	0.5
132.98199	2.0
141.93655	85.9
142.92847	12.0
143.92746	11.5
143.93787	0.9
155.93887	1.7
157.95438	8.1
158.03682	1.0
159.01666	0.6
159.89375	0.7
160.01637	0.7
160.86891	0.5
160.89409	0.9
160.97694	5.4
173.93689	7.6
174.91954	1.5
174.99255	14.8
201.94179	0.6
201.95830	4.3
202.02702	1.6
202.94235	1.2
202.98793	4.6
218.98311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14927	1.6
53.29660	1.3
59.01384	90.5
60.01705	2.4
68.01668	1.3
69.03457	5.8
71.01388	15.6
71.41637	1.5
73.03001	1.7
75.16687	1.3
81.03487	1.4
85.02974	1.3
90.97155	3.0
95.05026	13.5
97.06600	25.2
101.92397	1.6
103.92036	2.2
109.79787	1.5
112.98830	1.4
113.02461	49.6
115.07652	35.4
118.96626	3.2
125.02460	38.0
130.94427	2.6
132.98219	7.1
141.05592	100.0
142.05939	2.4
148.95456	3.7
159.03297	2.1
159.06656	6.0
160.97699	19.2
174.99257	46.4
185.04565	89.3
186.04962	2.2
202.98750	16.3
203.02341	2.9
203.05634	32.2
203.07416	2.1
203.08926	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0829
Annotation	Tryptophan
Peak:m/z	Relative Intensity
51.52421	0.6
59.01384	11.5
62.70243	0.5
67.91000	0.6
69.68155	2.6
71.01384	0.9
71.87984	0.6
72.00910	18.5
74.02483	38.1
77.79150	0.6
87.43268	0.6
93.52218	0.7
116.05076	100.0
117.05411	2.2
129.05885	1.3
130.06628	2.3
132.98198	1.1
141.19740	0.6
142.06636	25.3
143.06935	0.8
148.95506	0.6
157.07813	1.1
159.09285	16.0
160.09666	0.8
160.97714	2.2
174.99272	6.0
185.04602	1.6
186.05608	3.5
188.01753	0.6
202.98804	1.5
203.08278	53.5
206.48885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98999	0.7
59.01384	100.0
60.01701	1.1
69.31377	4.6
69.31737	1.6
99.08174	5.5
142.10904	0.8
143.07146	4.1
150.49850	0.8
203.03479	2.1
203.13002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.129
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
55.97726	0.3
59.01384	2.7
69.24293	0.9
72.99326	0.4
74.80247	0.3
97.06667	0.4
99.08177	0.5
121.02967	0.7
125.09747	1.0
127.11308	14.5
128.11647	0.5
137.09743	0.6
139.11292	0.4
155.10796	8.6
155.12053	0.6
156.11111	0.3
157.12355	55.1
158.12677	1.4
160.97617	0.5
167.33023	0.3
174.99232	1.2
185.11903	0.8
201.11270	0.5
202.98788	0.5
203.12894	100.0
204.13220	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	204.0668
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
53.17918	0.5
59.01385	1.3
72.99316	24.3
74.00103	0.5
75.00888	3.8
77.87893	0.5
78.20509	0.5
92.53128	0.5
108.80782	0.5
116.05082	34.9
117.05434	0.7
128.05080	22.0
129.05466	0.7
130.06641	27.2
132.04591	2.0
140.05101	1.4
140.82123	0.5
142.06644	33.2
143.06972	1.1
144.04590	2.3
146.06120	1.4
156.04593	1.0
157.05386	0.6
158.06131	90.2
159.06468	3.2
161.06114	0.6
161.97246	0.8
172.04080	1.6
186.05626	31.5
187.05923	1.2
191.41975	0.5
203.98277	1.0
204.06674	100.0
205.05301	0.9
205.06987	4.5
213.62897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78466	1.3
59.01376	3.0
69.61385	4.4
116.19390	1.1
136.05328	4.6
137.02502	1.4
149.06082	6.0
161.97269	2.9
171.08199	3.5
188.08435	9.9
189.09245	10.6
203.10797	43.7
203.98183	2.2
204.03081	1.2
204.11565	100.0
205.11966	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	205.0355
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
51.78325	1.8
55.01873	7.6
57.03452	5.2
59.01382	69.5
60.99293	2.0
67.01903	4.2
68.99818	6.6
70.07653	5.5
71.01387	69.2
72.99304	27.2
73.02974	11.2
75.00880	25.8
83.01386	11.7
84.99304	1.8
85.02962	7.7
87.00883	24.7
89.02457	16.9
96.99326	2.8
99.00887	51.1
99.01546	2.8
100.98808	3.4
101.02454	7.4
103.00369	3.6
111.00900	14.6
112.98820	100.0
115.00385	55.5
117.01984	12.8
124.98811	7.1
127.00400	5.2
129.01958	10.2
137.02454	2.3
142.99852	11.5
145.01450	21.1
154.98753	1.7
154.99855	11.1
173.00912	7.9
175.02602	3.6
180.73795	1.8
205.03551	3.4
205.07135	2.4
205.16045	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.5
57.03454	6.6
59.01384	21.7
69.94283	2.0
71.01382	2.9
72.99313	7.4
73.02964	1.5
83.01392	8.9
89.77055	0.6
90.15401	0.6
98.22660	0.8
99.00887	60.6
100.01259	1.0
101.02448	11.5
117.01952	23.8
119.82999	0.7
137.02461	0.6
145.01439	100.0
146.01764	2.1
163.02490	2.1
183.28978	0.6
187.02502	1.3
205.16069	1.2
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
55.01888	4.4
57.03455	5.4
59.01385	18.1
62.89455	0.5
66.75897	0.4
69.07261	3.7
71.01389	2.5
72.99314	4.7
73.02934	1.0
75.00876	0.8
75.38184	0.5
83.01401	8.0
98.22710	1.3
99.00891	56.5
101.02456	10.5
114.48487	0.5
117.01953	21.6
120.80443	0.5
133.02982	0.7
145.01443	100.0
146.01791	1.4
156.27606	0.5
161.02525	0.6
161.06075	0.6
163.02498	2.0
176.04791	1.4
177.01949	0.5
187.02483	0.8
190.06381	0.6
205.08760	1.7
205.12366	0.7
205.15916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0506
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Peak:m/z	Relative Intensity
55.96724	0.6
59.01370	1.8
61.98443	0.6
71.01395	1.2
71.41637	1.0
91.05543	35.3
92.05884	1.7
103.68566	0.6
115.00386	1.1
115.05540	0.8
117.07118	100.0
118.07436	2.7
121.05766	0.7
133.02954	1.6
135.04515	1.3
137.02475	1.0
161.06100	82.3
162.06435	4.0
177.01900	1.0
190.06215	0.7
192.11734	0.6
205.04985	3.4
205.08730	0.9
205.12424	1.0
205.16063	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	205.0872
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
52.19751	0.3
59.01397	0.8
60.93644	0.2
71.01395	0.7
72.99289	0.3
83.01422	0.3
87.00922	0.2
98.22640	1.1
104.05491	0.2
109.02998	0.3
115.00396	0.5
120.05467	0.3
121.02984	1.0
122.03754	9.3
133.02950	0.4
135.04544	0.6
136.01730	0.3
137.02470	1.8
147.04536	9.3
148.05241	1.1
149.06108	1.1
154.02791	0.3
158.03854	0.4
161.02475	0.8
161.06126	1.2
163.11256	0.3
172.05309	0.3
175.04022	22.4
176.04799	100.0
177.05144	3.9
177.09184	1.6
187.07701	0.8
205.01411	0.8
205.08702	30.0
205.15959	1.0
206.08997	1.1
220.19318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	38.2
69.12645	5.3
70.02988	11.4
72.00913	5.9
76.85217	0.7
77.38522	0.8
91.05541	28.8
91.16656	0.8
103.05580	1.5
125.70715	0.7
141.50778	1.0
147.04539	39.3
148.04887	1.7
164.07184	100.0
165.07487	3.3
206.08234	31.8
207.08560	1.0
227.56131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0825
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
56.70414	0.7
58.02983	34.2
61.03342	0.7
70.02637	1.2
70.02986	15.7
70.75990	0.8
70.76333	0.9
72.00923	6.0
85.22233	0.8
91.05543	27.7
103.05515	1.5
106.90449	0.8
135.04555	0.9
147.04547	35.7
150.80843	0.9
164.07185	100.0
165.07549	3.7
206.08260	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0301
Annotation	Isoochracinic acid
Peak:m/z	Relative Intensity
59.01378	2.1
59.15065	0.7
65.03967	1.3
68.99823	15.3
69.22599	2.7
69.22999	2.0
86.93177	0.7
89.03973	1.4
91.01910	0.9
93.03479	3.0
96.99323	42.1
97.99699	0.8
107.05033	4.9
108.02171	0.9
109.02964	100.0
110.03271	1.8
112.56029	0.8
117.03478	9.5
118.03880	0.7
119.05025	1.3
121.02982	6.4
127.33418	0.7
133.02991	1.2
134.03780	7.8
135.04546	30.0
136.01633	1.0
136.04953	0.8
137.02463	14.3
139.02927	0.9
145.02975	33.9
148.01707	1.1
162.03264	1.7
163.04036	40.0
164.04457	1.4
167.07625	0.7
177.01959	1.8
189.01985	4.6
192.04372	1.5
196.32642	0.8
207.03015	79.8
208.03374	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	207.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.3
70.86564	0.2
77.03983	1.0
78.95914	0.7
93.03467	3.2
95.05034	3.6
105.03471	1.6
107.01394	0.4
121.02969	6.5
123.04540	6.7
148.90382	0.2
149.02460	20.9
150.02820	0.8
163.04027	1.1
177.01949	100.0
178.00943	0.3
178.02332	3.2
188.30710	0.2
191.03539	2.1
192.04306	85.3
193.04625	3.7
207.06644	19.1
208.06969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0457
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
53.84346	0.3
59.01401	0.4
69.03499	0.3
69.45756	0.3
71.01426	0.3
72.99287	0.3
77.03983	0.5
77.63500	0.2
79.21819	0.2
85.02966	0.5
89.80680	0.3
91.01913	1.1
92.02750	0.3
93.03453	0.6
95.01426	0.3
95.05023	0.5
105.03458	1.6
106.04285	0.3
109.77299	0.2
112.04029	0.5
120.02184	10.6
121.02967	100.0
122.03281	2.5
124.04077	0.4
125.29882	0.3
126.14661	0.2
133.02960	0.6
136.01671	0.7
147.04567	0.7
150.03246	0.7
151.04015	4.3
161.01099	0.5
161.02455	9.3
165.01965	0.4
165.05576	0.5
167.71651	0.3
176.04807	4.3
179.03510	15.3
191.03490	1.1
191.07150	2.0
194.05856	12.1
195.05945	0.3
209.04541	8.8
209.08157	3.4
210.04878	0.4
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	D-Mannoheptulose
Peak:m/z	Relative Intensity
51.41991	1.1
55.01887	5.5
57.03177	2.2
57.03452	38.4
58.00600	2.0
59.01081	2.3
59.01382	47.1
60.09734	1.3
64.96778	1.1
68.99805	1.1
69.03450	1.9
71.01391	21.1
72.99313	1.9
73.02943	4.8
83.01399	9.6
84.02171	4.2
85.02959	93.8
86.00098	2.7
86.03278	1.2
87.00886	93.5
87.04532	1.9
89.02462	12.0
97.02940	1.9
99.00884	15.2
101.02461	5.9
110.89905	2.3
111.00900	5.4
113.02479	1.3
113.35094	1.3
115.04005	8.0
129.01955	58.5
131.03503	3.3
135.02995	1.1
141.01927	3.0
149.23840	1.1
159.02985	12.9
173.10548	1.3
191.05630	6.9
209.06677	100.0
210.07054	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	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44073	0.5
72.23019	0.5
73.48048	0.5
77.03985	0.8
93.03478	1.2
95.05032	2.4
105.03466	9.9
117.03475	0.8
120.02207	1.5
121.02970	15.4
122.03777	0.5
123.04568	1.3
133.02971	5.0
142.78728	0.5
151.04022	25.5
161.02461	64.0
162.02824	1.8
165.05556	1.2
176.04805	30.2
177.05234	1.3
179.03513	100.0
180.03899	2.2
181.45708	0.5
191.07124	7.5
193.05060	1.0
194.05858	75.0
195.06195	2.4
209.04584	1.7
209.08205	21.9
210.08440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22997	4.3
71.01414	0.7
73.04452	0.6
91.01894	0.9
91.05540	26.7
93.03474	1.6
95.05054	3.0
96.96063	0.8
98.22772	0.7
105.03476	9.7
109.02927	0.8
117.03439	0.8
119.04988	1.1
120.02195	8.5
121.02967	65.4
122.03312	1.1
123.04538	1.8
133.02934	5.8
135.04523	0.9
147.04572	3.5
150.03226	1.8
151.04015	32.2
152.04367	0.7
161.02457	74.1
162.02823	2.9
163.04033	1.0
165.05568	5.1
165.09291	0.8
176.04802	43.4
177.05156	1.9
178.30048	0.8
179.03510	100.0
180.03871	2.7
184.13290	0.7
191.07141	11.2
193.46886	0.9
194.05855	64.0
195.06187	2.5
209.04614	5.9
209.08202	26.5
210.08516	1.6
223.79402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24966	0.4
51.87849	0.3
59.01371	0.4
71.01388	1.3
72.99319	1.1
73.02961	2.0
83.05032	0.7
85.02967	0.4
87.00861	0.4
91.05542	100.0
92.05885	2.6
92.99815	1.0
95.05106	0.3
98.22646	0.7
113.72761	0.3
117.01959	1.7
117.03470	2.7
119.05022	1.7
120.02171	0.6
121.02968	9.2
135.04535	2.8
136.98808	0.6
147.04532	8.1
147.08171	0.4
149.06070	0.6
150.03268	0.5
163.04022	2.0
163.07637	1.9
163.11259	0.4
164.98315	1.2
165.05577	15.2
166.05925	0.6
191.07135	1.3
209.08209	37.9
209.11836	4.1
210.08565	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52673	0.3
57.03456	2.0
59.01386	100.0
60.01714	0.6
67.65178	0.3
69.12870	2.2
80.02671	0.4
81.03469	1.1
91.49085	0.3
95.05020	0.3
95.90829	0.3
97.06618	2.3
98.22645	0.6
109.06596	2.6
119.06778	0.3
120.02217	0.7
121.02970	4.7
161.48079	0.3
164.98329	0.4
165.12871	3.1
194.17982	0.4
209.04506	0.4
209.09842	0.6
209.11841	11.2
210.12251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.26801	0.3
57.62762	0.3
58.98995	0.3
59.01395	0.4
70.61228	0.3
80.02673	2.2
81.03472	2.5
83.05035	10.0
92.99834	0.7
95.05040	1.4
97.41685	0.3
107.15217	0.3
109.06606	0.6
120.02155	0.6
121.02975	5.4
125.06094	1.1
135.08162	1.7
136.98747	0.5
163.11307	7.9
164.98303	0.7
165.12860	5.1
176.22240	0.3
180.18486	0.3
181.12387	0.9
191.10832	1.7
200.08095	0.3
209.11847	100.0
210.12178	3.2
214.99002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.32445	0.3
54.31841	0.3
59.01385	1.5
67.99048	0.3
69.16629	1.7
72.01876	0.3
80.02676	2.7
81.03476	2.3
83.05033	10.6
92.99807	0.8
93.03488	0.5
95.05046	1.6
106.04245	0.3
109.06631	0.4
120.02200	0.8
121.02958	5.4
125.06094	1.1
135.08174	1.3
136.98816	0.6
147.11891	0.3
163.11288	8.7
164.98260	1.1
165.12852	4.2
177.14894	0.3
181.12349	1.2
191.10812	2.1
209.11841	100.0
210.12183	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	209.1184
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.27662	0.5
50.44426	0.5
79.70992	0.5
80.02674	2.7
81.03457	2.0
83.05034	9.6
92.86803	0.5
92.99830	0.9
93.03484	0.6
95.05042	1.3
98.22661	1.6
100.90393	0.5
121.02963	6.7
125.06062	1.1
134.65085	0.6
135.08173	1.0
136.98854	0.5
163.11296	8.3
164.98335	0.8
165.12840	4.7
181.12364	1.9
191.10812	2.1
209.11844	100.0
210.12105	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	209.1184
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01889	3.1
55.38589	0.5
57.03463	2.6
59.01374	0.7
65.00321	0.7
69.03458	0.7
69.09657	0.8
69.10054	2.6
71.05029	0.5
76.84119	0.4
80.02690	0.9
81.03467	3.8
81.88413	0.4
83.01395	29.2
83.05033	5.1
83.38039	0.4
84.01692	0.5
84.02181	1.5
87.79296	0.5
92.99799	2.6
95.05016	1.9
97.06587	5.1
99.04543	0.4
106.04283	0.6
106.56136	0.4
108.02181	0.6
109.06540	0.5
110.03772	0.5
110.84407	0.4
111.08189	1.0
120.02186	1.3
121.02961	9.4
123.08178	2.8
125.09739	24.0
135.08200	2.2
136.98845	1.1
147.11801	0.8
149.09824	0.6
161.09735	0.5
163.11302	9.7
164.98276	2.1
165.12863	4.0
171.01093	0.4
177.62277	0.5
181.12375	1.9
191.10809	7.3
209.11848	100.0
210.12224	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	209.1185
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
59.01378	2.5
61.98838	21.0
65.00332	4.7
69.33264	5.6
71.01388	3.5
80.91680	1.5
81.72680	1.2
83.01400	5.0
83.05036	1.6
87.70707	1.2
92.92753	1.4
92.99830	10.8
93.03466	1.5
95.01395	1.6
96.96028	3.2
108.02207	1.3
112.00990	1.1
118.03107	1.3
118.94230	6.3
119.73300	1.2
120.02180	9.8
121.02970	100.0
123.08159	1.4
125.09725	4.0
129.24602	1.1
136.98836	5.6
138.02020	1.0
151.02739	2.7
151.11295	3.7
163.11337	2.8
164.98297	12.1
165.12831	4.9
166.94257	2.6
181.12340	6.6
191.10750	4.7
208.97253	2.1
209.01224	1.3
209.04535	5.9
209.07523	1.5
209.11824	31.5
209.94934	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
54.10635	0.9
59.01385	4.3
61.98837	23.5
62.18715	1.2
65.00333	3.5
65.64944	0.9
70.65399	1.8
71.01393	4.4
75.00890	2.0
81.03489	1.9
83.01411	1.8
84.00745	1.2
92.92798	2.1
92.99833	12.8
93.03468	1.8
96.96039	6.2
97.06598	1.7
112.53232	1.2
118.94204	8.5
120.02203	9.0
121.02968	100.0
122.03299	1.9
124.04041	3.0
125.09743	2.6
130.36334	1.1
136.98831	4.6
137.02431	1.8
144.95703	0.9
145.35014	1.1
151.02797	1.9
151.11285	4.5
152.03455	1.0
161.98750	1.1
163.11292	3.0
164.98314	11.9
165.12856	4.8
166.94327	2.2
181.12399	7.9
186.21172	1.3
187.67912	1.2
191.10803	3.0
209.01016	1.2
209.04584	8.5
209.06046	2.7
209.08427	1.2
209.11827	23.1
209.15445	1.7
209.94904	6.3
210.12180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
63.41545	0.4
64.01028	0.3
67.06776	0.3
70.25007	0.4
80.02694	2.6
81.03483	2.0
83.05036	11.3
92.99834	0.5
95.05013	2.0
98.21828	0.8
109.06577	0.7
120.02182	0.6
121.02966	6.0
125.06092	0.9
125.09771	0.5
134.63637	0.5
135.08157	1.4
149.09686	0.4
163.11314	8.7
164.98438	0.4
165.12849	5.2
181.12381	1.2
191.10820	1.7
209.11847	100.0
210.12236	3.4
210.40689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.025
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
56.84751	0.2
63.02401	4.7
63.02712	0.4
65.00329	18.9
66.00663	0.2
67.01894	0.3
71.43474	0.4
74.81224	0.2
83.01395	9.8
93.49483	0.2
95.01408	0.9
96.01709	0.2
107.01401	25.6
108.01749	0.7
108.99332	0.5
123.00864	0.4
123.04540	0.4
128.68643	0.2
151.00386	100.0
152.00713	2.4
155.95955	0.2
160.52151	0.2
169.01437	1.8
178.98399	0.5
178.99872	6.2
181.05078	0.3
183.03018	0.6
185.93576	0.3
192.97780	0.6
209.97716	0.3
211.02493	16.0
211.13474	1.1
212.02838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.025
Annotation	3-(2-Carboxyethenyl)-cis,cis-muconate
Peak:m/z	Relative Intensity
55.01860	0.7
77.03973	1.0
79.05540	15.6
81.03468	8.8
95.01353	1.0
95.05043	0.9
96.96016	1.2
98.22807	1.2
103.41840	0.7
105.03471	28.2
116.30313	0.7
121.02971	6.7
123.04536	86.4
124.04872	2.1
134.03752	4.5
137.57066	0.7
147.00902	3.7
148.01668	1.5
149.02454	49.7
149.06079	2.0
150.02757	1.9
167.03511	19.5
175.00333	4.6
181.05212	0.7
193.01431	66.6
194.01765	2.2
196.07516	1.6
211.02492	100.0
211.13362	1.0
212.02856	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	211.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.2
59.01386	1.1
61.66775	0.4
65.00330	1.4
68.94770	0.4
69.74081	0.6
69.74452	0.8
73.02972	0.8
78.95957	1.0
83.01395	2.3
89.71123	0.4
95.01422	1.0
97.02946	0.8
98.22664	0.7
103.92030	0.4
107.01424	1.2
109.02969	0.5
121.03020	1.0
123.00893	0.6
123.04528	1.3
125.02465	100.0
126.02827	2.1
137.02431	2.3
149.02502	0.6
151.00374	3.8
152.01109	0.7
153.05580	0.5
156.93983	0.5
165.01965	3.5
166.91115	1.7
166.93858	0.4
181.01527	0.6
183.02983	1.3
192.97836	0.8
211.02504	14.6
211.06038	1.0
211.13383	1.4
212.02762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.2
69.03464	0.3
69.83677	0.5
69.84023	0.4
71.01398	0.2
79.01945	0.3
81.03485	0.3
83.70692	0.2
95.01402	1.7
96.96042	0.8
97.02960	8.7
99.90916	0.2
107.05028	1.2
109.02963	0.3
121.03004	0.3
123.04535	2.7
124.01680	0.4
125.02496	0.9
135.04507	0.2
137.02489	0.8
149.06134	0.3
150.03244	0.6
151.04022	8.1
153.05591	12.1
154.05927	0.4
155.02010	0.2
167.07156	0.4
181.05080	100.0
182.05383	3.4
195.06599	0.5
196.07422	70.0
197.07744	2.2
211.02499	0.4
211.09764	15.5
212.10110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01390	0.9
61.98816	3.8
63.43613	0.8
67.01882	2.8
69.14043	4.5
71.16119	0.7
71.74095	0.8
83.05030	1.0
85.00448	2.7
95.01389	2.4
121.02909	1.1
121.07718	0.8
123.00846	1.1
123.04477	0.9
125.09734	3.9
139.00490	0.8
141.86812	1.8
152.91798	1.5
153.05585	1.0
156.93954	1.0
159.87915	1.5
167.14430	3.6
183.14006	1.0
192.97772	1.7
210.91368	0.8
211.13414	100.0
212.13728	4.9
221.11502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03441	0.3
59.01376	0.6
61.98837	1.1
62.04845	0.3
65.51092	0.3
69.03465	1.1
69.14649	2.3
78.34676	0.4
83.05029	0.4
85.00456	0.9
88.78931	0.3
95.01388	1.0
98.21889	0.6
111.08188	0.4
121.02964	0.7
123.04568	0.6
124.04086	0.3
124.84248	0.4
148.01689	0.3
155.10817	0.8
165.12819	0.5
167.10825	1.0
167.14442	2.1
181.12407	0.4
183.13910	14.8
184.14363	0.6
192.97800	0.8
193.12352	4.5
211.13412	100.0
212.13760	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	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22624	0.5
53.59758	0.4
63.34916	0.4
69.03450	0.7
69.18646	3.2
74.52844	0.4
83.05006	0.5
85.92245	0.5
92.99789	0.6
95.01394	2.9
97.06605	0.5
98.21809	0.5
111.00876	0.7
123.00893	1.1
123.04555	0.8
139.00377	0.6
147.53009	0.5
148.98787	0.5
165.12874	0.5
166.99867	0.8
167.10786	0.8
167.14412	1.9
183.13905	13.4
192.97800	2.0
193.12360	3.9
211.13405	100.0
212.13731	4.1
231.81534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.80720	0.4
60.26945	0.3
65.00323	0.5
67.01886	1.2
68.25042	0.4
69.21252	1.6
78.37469	0.5
81.07095	1.1
82.01879	0.4
95.01395	1.6
97.06617	4.1
109.06610	1.6
111.08176	1.5
123.00864	1.4
125.09735	0.5
139.00360	0.5
139.04085	1.0
148.98792	0.7
154.06366	6.0
166.99956	0.6
167.10905	0.5
167.13150	0.7
167.14438	6.1
183.13954	2.1
186.05443	1.0
192.97783	2.0
195.10260	2.7
211.13409	100.0
212.13760	3.8
228.36084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0559
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
59.01382	0.4
69.03463	0.5
71.44012	0.3
97.02979	0.8
102.70930	0.3
108.02184	100.0
109.02506	1.8
122.66053	0.3
131.05017	0.5
143.05023	0.8
156.05908	0.3
157.06595	4.4
158.03725	2.8
159.04503	1.3
169.06609	2.6
171.04556	2.4
185.06075	8.3
186.06447	0.5
193.90102	0.3
194.99364	0.5
197.99203	3.5
212.04787	4.1
212.11336	0.3
213.01678	1.7
213.05573	39.2
213.14920	0.9
213.18689	0.5
214.05904	1.8
229.59154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82283	0.1
55.01862	0.1
57.03448	0.5
58.02985	0.7
59.01379	0.2
66.03490	3.3
67.01886	0.3
68.05048	0.6
68.99805	0.3
69.03459	0.7
69.17992	0.1
70.02985	1.1
71.01379	0.3
71.05019	0.3
71.25465	0.1
72.00909	1.7
72.04540	0.7
72.99316	0.2
73.02917	0.2
73.40986	0.1
74.02480	6.0
78.95902	0.2
80.05063	0.3
81.03472	0.3
82.02989	23.2
83.03346	0.3
83.03770	0.4
83.05051	0.9
84.04556	16.9
85.02955	1.6
86.02484	2.8
86.06122	12.6
87.00860	0.4
87.06422	0.2
92.05038	0.1
94.02975	0.9
96.04554	4.4
96.96012	0.3
97.04119	0.2
98.02489	0.6
98.06120	2.0
99.04527	0.2
99.05637	0.2
100.04064	0.6
100.79435	0.2
102.05598	0.4
106.06625	0.5
107.05030	0.6
107.06142	0.4
108.04574	1.2
109.01717	0.2
109.02896	0.2
109.04078	0.4
110.02517	0.9
110.06132	1.4
111.03273	0.5
111.05672	0.4
112.04050	2.1
113.07214	1.3
114.05608	0.6
114.09246	0.3
120.04570	0.4
122.02520	0.2
122.06106	0.3
123.04707	0.2
123.05641	1.3
123.09302	0.3
124.04047	0.4
124.07700	1.0
125.00973	0.2
125.03543	0.4
125.06241	0.3
125.07213	4.4
126.01982	0.4
126.05608	0.5
126.98910	1.1
127.05149	9.4
128.03552	100.0
129.03200	0.1
129.03918	1.7
130.05161	0.2
133.07729	0.8
134.06146	1.0
136.04010	0.2
138.05634	2.2
139.05077	0.2
139.08771	0.2
140.07195	0.5
141.06699	0.2
141.10368	2.1
144.03032	0.6
149.07219	2.4
150.05598	0.8
151.05101	0.4
151.08775	5.0
152.07191	0.8
152.09128	0.2
167.08258	3.7
168.06685	0.6
168.99957	0.7
169.06201	1.7
169.08504	0.3
169.09836	3.5
177.06686	0.7
182.36247	0.1
185.09311	0.3
187.04715	0.2
195.07759	10.0
196.06168	0.2
196.07983	0.3
197.18071	0.2
197.99152	0.2
200.58676	0.1
213.08824	29.2
214.09163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1135
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
52.71124	0.4
52.83866	0.3
53.88183	0.3
54.41767	0.4
57.03458	0.5
59.01392	0.7
61.29654	0.4
63.43818	0.4
65.90542	0.3
69.03448	0.5
69.78902	1.7
95.05023	0.4
97.02962	0.6
97.06595	0.8
98.22563	0.5
123.05704	0.4
151.11304	12.4
169.12352	100.0
170.12680	2.9
177.09065	0.4
187.35515	0.4
195.10234	0.9
197.99150	1.3
213.01602	1.6
213.09476	0.5
213.11336	15.0
213.14607	2.0
214.11621	0.9
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	Putaminoxin E
Peak:m/z	Relative Intensity
57.32487	0.7
69.06690	4.6
79.02806	0.6
93.61516	0.6
134.80890	0.7
155.56665	0.7
161.90213	0.6
183.13918	30.2
184.14340	0.7
194.85588	0.7
195.13925	26.9
196.14272	1.0
213.14990	100.0
214.15352	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	214.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03452	2.6
70.23297	1.7
70.23622	0.8
72.04556	12.4
79.95746	2.8
81.52037	0.9
82.02990	1.3
83.01416	2.0
83.44617	0.8
84.04571	1.1
96.96016	5.6
128.03558	1.4
140.10803	5.1
142.12386	100.0
143.12730	2.0
159.97644	2.4
168.10313	32.0
170.11877	41.1
171.12189	1.1
197.12991	2.3
214.00415	1.5
214.10840	26.1
215.00972	4.3
215.14102	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	215.1402
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
52.56086	0.4
58.02974	1.3
72.00916	2.4
74.02478	11.4
74.02868	0.8
82.02988	8.6
84.04562	17.2
86.02493	4.8
86.62795	0.5
98.02511	0.8
98.22657	1.7
100.04079	0.8
100.78804	0.5
116.03584	0.7
116.05109	1.0
118.54767	0.5
128.03563	15.9
128.10826	4.6
140.10863	1.0
141.10359	6.0
141.95010	0.6
142.12393	2.3
143.12767	3.7
144.00943	2.1
154.12392	1.7
166.32253	0.6
167.11914	4.7
168.09108	0.6
168.10365	1.2
169.10730	1.2
169.13493	6.1
171.09271	0.8
171.12259	1.2
171.15042	10.9
195.11426	1.6
197.12970	68.5
198.13274	2.4
215.01004	17.8
215.14017	100.0
216.01242	0.7
216.14351	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	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01385	3.7
62.12674	0.5
67.10950	0.4
69.75137	1.6
71.01389	12.4
71.05027	20.9
71.05425	1.1
84.33364	0.4
88.04047	100.0
89.04385	1.0
98.22570	0.6
99.04527	6.0
116.03551	0.8
116.07168	2.6
129.05608	0.9
146.08243	51.4
147.08627	1.1
185.31227	0.5
218.10341	21.3
219.10661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	9.8
59.01385	100.0
69.03461	8.1
70.87589	4.1
71.01369	23.0
71.05024	6.4
73.02945	5.2
74.02460	3.4
78.95910	5.4
81.03449	18.5
82.02997	5.4
83.01398	13.5
83.05033	10.9
85.02957	18.2
87.00891	30.0
87.04521	5.7
88.04039	10.0
89.02465	4.8
97.02960	19.0
98.02524	3.9
98.11824	3.4
98.95596	4.1
99.04546	11.3
100.04036	4.9
101.02476	7.2
111.00942	3.9
115.03256	4.9
115.04039	12.6
115.07658	4.7
119.05012	6.8
123.00557	3.9
125.02464	31.7
128.03554	4.4
129.01936	29.4
133.05075	85.5
139.04005	5.5
143.03514	3.6
145.01451	10.4
147.04562	11.7
147.08568	4.7
159.03003	5.0
173.11873	8.9
174.03360	3.9
175.03960	34.1
187.02528	10.0
201.04024	5.8
201.08867	11.0
214.95154	4.7
219.02989	23.9
219.05135	16.9
219.10297	7.6
219.12366	35.4
219.17519	77.0
220.17950	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	219.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70759	0.4
50.81683	0.4
59.01394	2.4
61.01798	1.0
61.98807	0.5
69.03465	8.3
71.01391	0.7
72.29957	0.4
85.02962	0.8
95.05025	0.4
96.18225	0.4
97.06589	4.3
109.02945	0.9
121.02985	2.6
121.06602	1.2
122.03770	2.3
123.04545	11.4
123.12213	0.4
133.06609	0.5
134.03798	0.6
135.04533	2.1
135.08168	1.1
136.05289	0.8
144.05890	0.5
146.03755	4.1
147.04543	15.3
148.05293	1.4
149.06123	3.8
149.09706	2.2
150.03198	0.6
159.04504	1.7
160.05295	4.5
161.02489	0.6
161.04779	0.6
161.06100	8.5
162.05612	0.7
162.06888	8.0
163.03958	0.5
163.07661	7.3
172.05367	2.7
173.06120	1.4
173.09705	1.5
174.03207	1.0
174.07066	0.4
175.04019	10.7
175.07648	8.2
176.04776	2.9
176.08356	0.7
186.06926	1.2
187.07646	0.7
188.08339	0.5
189.05603	10.7
189.09212	2.1
190.06387	35.2
191.06795	0.9
191.10788	8.9
201.09245	4.1
203.07170	0.7
203.25063	0.4
204.07944	6.1
219.10284	100.0
219.17471	5.7
220.10623	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	219.1393
Annotation	Oblongolide
Peak:m/z	Relative Intensity
54.30947	0.3
55.01872	0.2
57.03437	1.1
57.79655	0.3
59.01392	1.4
61.98821	0.4
64.41710	0.3
65.51363	0.3
66.08997	0.2
69.25752	1.6
71.05015	0.6
71.34168	0.3
73.24834	0.3
75.91049	0.3
78.08101	0.4
79.05511	0.3
83.05049	1.3
93.07105	0.7
97.06570	0.3
109.02967	0.6
111.04531	4.3
119.08629	0.4
121.06590	0.6
125.06098	2.8
131.82101	0.3
135.08183	1.0
136.05299	0.5
137.09726	1.1
145.06610	0.5
147.04546	0.3
147.08188	0.6
148.05315	2.5
149.06053	0.5
149.09750	0.7
153.27742	0.3
160.08987	0.8
161.09735	3.6
163.07663	3.0
164.08385	1.0
175.04054	0.4
175.07657	0.5
175.11290	0.6
177.12865	0.9
186.10527	1.3
188.08443	1.2
189.09232	4.6
189.12856	2.4
191.14476	0.4
196.07401	0.3
201.12872	10.5
201.14743	0.5
202.13211	0.5
203.10800	11.6
204.07843	1.1
204.11569	33.9
205.11981	1.4
219.13921	100.0
220.14229	4.3
220.80447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02942	0.4
56.71980	0.4
59.01384	3.0
61.98842	2.8
69.58134	1.6
71.05041	0.4
87.02748	2.5
98.21980	0.6
101.42531	0.4
103.88105	0.3
107.05057	0.6
117.00829	0.4
120.24404	0.4
120.85472	0.3
120.93187	0.4
126.24354	0.3
131.05295	1.6
133.06944	100.0
134.07292	2.2
140.59474	0.3
147.04506	0.5
177.05592	6.0
220.03304	0.5
220.06339	0.5
220.10146	5.0
220.12564	0.6
220.17880	1.8
221.04626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0669
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
57.03459	5.0
59.01387	100.0
71.01400	22.8
73.02959	50.0
83.01393	6.1
85.02953	7.7
89.02477	4.7
92.57317	3.8
94.02933	4.1
101.02460	20.1
113.02469	22.6
121.53709	3.5
129.92366	3.8
161.09811	4.0
178.98477	4.9
190.65695	5.0
221.11829	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	221.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37707	3.2
55.53110	2.5
59.01383	100.0
65.30371	2.8
71.01385	31.0
72.36013	2.8
73.02950	55.8
75.76796	3.3
83.01382	9.3
85.02965	11.4
89.02435	6.8
101.02454	23.9
113.02473	23.6
114.81563	2.8
167.45753	2.9
177.12706	2.9
183.91490	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	221.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.9
69.03083	1.9
69.03463	49.1
71.05025	100.0
72.05378	1.3
72.85757	1.2
74.03078	1.2
75.02415	3.7
76.02521	1.1
80.16108	1.1
83.94342	1.1
92.76178	1.4
93.03462	2.4
98.22697	3.3
107.05048	3.8
110.22247	1.3
121.02972	44.4
134.03748	17.1
135.04544	1.6
135.95287	1.2
147.00891	8.1
147.08154	2.7
149.02498	1.7
149.09737	12.7
151.03833	1.6
165.01945	2.9
175.07707	2.2
177.01964	1.5
177.09213	11.0
178.98576	1.4
190.99863	1.7
195.23051	1.3
221.08199	20.9
221.11806	3.3
221.15634	1.7
229.22455	1.5
234.45543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0821
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
59.01383	14.9
69.03083	1.9
69.03463	49.1
71.05025	100.0
72.05378	1.3
72.85757	1.2
74.03078	1.2
75.02415	3.7
76.02521	1.1
80.16108	1.1
83.94342	1.1
92.76178	1.4
93.03462	2.4
98.22697	3.3
107.05048	3.8
110.22247	1.3
121.02972	44.4
134.03748	17.1
135.04544	1.6
135.95287	1.2
147.00891	8.1
147.08154	2.7
149.02498	1.7
149.09737	12.7
151.03833	1.6
165.01945	2.9
175.07707	2.2
177.01964	1.5
177.09213	11.0
178.98576	1.4
190.99863	1.7
195.23051	1.3
221.08199	20.9
221.11806	3.3
221.15634	1.7
229.22455	1.5
234.45543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01377	0.4
59.90359	0.1
69.15275	0.5
127.07629	0.2
128.35834	0.1
138.81422	0.1
148.05302	0.4
149.06020	0.4
151.07661	0.1
155.24730	0.1
164.08426	2.1
165.09198	0.3
177.27521	0.1
178.98569	0.1
205.12360	1.8
206.12654	1.0
207.13908	0.3
220.12511	0.1
220.14697	3.6
221.15465	100.0
222.15808	4.2
235.13445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0286
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
58.74945	0.1
59.01381	0.5
59.96721	1.7
61.98832	0.6
65.00369	0.2
71.07186	0.1
74.99079	19.2
75.96207	0.3
76.87659	0.1
83.11110	0.2
91.05543	0.3
93.00140	6.6
107.27166	0.2
118.96285	0.2
121.03015	0.3
149.00966	12.7
150.00969	0.5
150.98904	0.8
163.03993	0.2
176.83684	0.3
193.01489	0.2
206.99713	5.7
207.99876	0.2
223.02844	100.0
224.02879	5.2
225.00868	0.3
241.03947	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1342
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
56.46961	1.0
57.03437	1.9
59.01394	7.5
59.94382	0.9
69.03203	0.7
69.03468	8.1
69.35369	0.9
71.05011	1.7
71.07006	1.0
74.99097	1.5
83.04984	1.0
85.06626	1.5
93.03470	1.6
95.05031	1.5
95.41858	0.9
109.06580	1.2
128.44365	0.8
135.11746	1.1
142.09706	1.0
149.09698	1.0
161.13379	1.5
163.04013	1.6
164.04634	0.9
166.06354	2.2
167.10803	11.7
176.83705	2.2
177.12892	1.7
179.10785	3.0
179.14435	9.7
195.13927	30.3
196.14233	1.3
205.12350	23.9
223.02831	5.1
223.13428	100.0
224.13759	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
59.01385	100.0
60.01711	1.0
69.03452	0.4
70.58377	0.7
72.38609	0.4
81.03458	2.0
83.05043	0.8
93.03485	0.5
95.05040	1.4
97.06599	5.6
109.06576	0.5
135.08163	1.1
137.82895	0.4
140.00928	0.4
147.08168	3.0
151.11299	0.9
154.39534	0.4
163.11310	1.3
165.01944	0.6
165.09250	2.4
177.62434	0.4
181.12346	1.3
206.91324	0.4
225.11346	26.1
226.11699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.41966	0.7
58.04442	0.8
59.01385	4.9
61.98817	1.1
65.00336	9.1
66.37955	0.9
71.01379	2.0
71.05025	0.8
73.02950	1.6
81.03458	1.3
83.05031	2.6
92.52013	0.7
93.03473	4.3
95.01393	1.9
95.05043	8.8
96.64564	0.9
97.02970	4.4
97.06602	1.2
99.04536	2.5
99.08207	0.8
106.04277	1.0
109.02972	1.7
109.06610	10.5
110.03751	7.7
111.04510	1.7
125.09700	1.3
126.90476	2.0
135.08174	2.5
136.46080	0.9
136.98827	13.0
137.02444	1.0
145.10233	1.2
147.08257	0.9
149.09720	1.3
151.11313	1.4
151.88646	0.8
153.12869	1.8
160.38858	0.8
161.09741	2.2
163.11305	13.9
164.11678	1.0
169.12276	1.5
178.83321	0.9
179.10706	2.2
180.97701	1.0
181.12413	4.6
181.15987	15.1
182.16267	1.0
189.09195	6.8
197.11798	2.3
207.10284	42.1
208.10623	0.9
224.96835	1.2
225.00516	1.0
225.11343	100.0
225.14972	2.7
226.11774	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	225.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60399	1.5
57.41491	1.4
59.01381	8.4
61.98837	2.2
65.00327	4.0
71.42213	2.3
81.03458	3.6
83.05052	3.1
93.03474	3.8
97.02966	9.4
109.06602	21.1
110.03751	6.5
117.24876	1.4
121.06568	1.7
135.08118	1.6
136.05283	3.3
136.98790	7.5
137.02534	2.0
142.02763	2.0
145.10313	1.4
163.11314	15.5
169.10564	1.4
181.12363	15.4
182.12601	1.4
192.63928	1.5
207.10289	73.3
208.10646	2.1
225.02611	2.6
225.11357	100.0
226.11882	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55158	0.6
59.01123	0.7
59.01382	8.6
65.00321	3.4
67.34064	0.6
69.03452	1.4
71.05031	1.0
72.99808	0.6
79.95729	0.9
80.02676	1.0
81.03461	4.8
83.05023	3.3
84.02174	1.9
93.03445	2.2
95.05038	0.8
96.95999	2.1
97.02955	12.9
99.00877	1.6
99.04530	0.9
106.04287	0.6
107.05050	0.8
109.06600	35.6
110.03755	7.9
110.06897	0.9
111.04536	0.9
121.06592	2.7
123.04524	1.0
123.08136	0.6
125.09750	1.0
135.08180	4.5
136.05283	2.4
136.98846	6.0
137.02446	0.8
142.02728	2.5
161.09698	1.7
163.11301	23.8
164.01161	0.8
165.09203	1.2
179.10768	1.1
181.12352	18.4
182.12674	0.7
189.09213	1.5
207.10277	87.0
208.10573	3.6
224.96751	0.8
225.11339	100.0
226.11661	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55367	1.0
58.04776	0.9
59.01385	5.4
61.98835	1.3
65.00331	2.4
69.03458	1.1
70.98108	1.4
83.05008	1.3
93.03487	2.2
96.96036	1.3
97.02956	11.1
99.00906	4.5
109.06591	4.6
110.03754	8.6
123.04499	1.0
125.09752	1.5
135.08156	2.5
136.05344	2.3
136.98810	3.9
137.02444	1.5
142.02716	3.4
163.11322	12.7
165.02003	1.8
178.83351	1.8
181.12352	29.0
182.12802	1.2
197.11859	1.4
207.10286	77.3
208.10593	2.0
225.11349	100.0
226.11688	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	225.1609
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
54.15133	0.4
58.02989	0.5
59.01375	1.2
70.03010	0.4
72.04574	0.7
80.05032	0.6
81.03465	15.9
81.03951	0.8
82.06638	1.4
82.97815	0.4
83.05034	84.8
84.05362	1.8
93.03448	0.7
96.96024	0.6
108.04573	1.3
109.02947	0.6
116.33031	0.4
119.05026	0.5
125.02402	0.5
125.07216	3.6
126.05609	0.4
130.10547	0.4
137.02443	1.3
137.03409	0.4
143.08281	2.9
151.04050	0.5
154.12407	0.8
166.12387	0.4
167.03500	1.1
195.03006	4.0
200.35596	0.4
207.15044	10.4
210.05348	4.5
225.07724	1.9
225.16101	100.0
226.16412	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
56.44524	0.4
57.03426	0.6
58.07529	0.4
61.46579	0.4
74.30371	0.5
111.08170	1.0
165.12863	19.3
166.13286	0.6
181.12328	0.4
183.13910	100.0
184.14233	3.3
204.92581	0.5
209.11877	2.0
227.12910	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	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01880	0.3
59.01379	0.3
70.57799	0.2
71.05029	0.6
79.85151	0.3
80.02675	2.2
81.03461	2.3
83.01396	0.6
83.05032	8.0
84.02177	3.7
95.05036	0.9
109.06580	0.4
111.08198	0.4
125.06104	0.8
135.08168	0.9
139.11258	0.4
142.45140	0.3
147.11873	0.5
163.11304	6.3
165.12854	4.5
181.12332	0.8
191.10788	1.8
199.13420	0.7
203.46797	0.3
209.11841	100.0
210.12163	3.8
227.12842	2.9
227.20166	0.6
240.56737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03413	0.6
58.00606	0.8
59.01387	0.7
60.20144	0.5
63.99668	0.5
69.24722	3.2
80.02673	2.0
81.03452	1.6
81.07096	0.9
83.05026	6.8
84.02174	3.0
95.05036	1.2
98.21906	1.2
109.06590	0.7
125.06062	0.9
135.08174	0.9
148.23236	0.6
163.11247	4.9
165.12865	5.0
181.12369	1.6
183.13914	5.9
190.02151	0.6
191.10785	1.8
197.15459	0.9
199.13409	6.9
209.11839	100.0
210.12119	2.8
227.09361	0.8
227.12921	17.4
227.16479	8.6
227.20145	1.2
242.01517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75537	0.5
71.05006	0.6
80.02671	2.1
81.03461	1.7
83.05038	7.0
84.02180	3.3
88.66685	0.5
89.98347	0.5
95.05032	1.5
97.06611	0.6
109.06633	0.7
125.06094	0.9
130.24060	0.4
135.08131	0.8
153.57494	0.4
163.11304	7.3
165.12837	4.2
171.07996	0.4
181.12357	1.3
191.10765	1.5
203.60500	0.5
209.11845	100.0
210.12173	3.9
227.03148	0.5
227.12877	3.4
227.20174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03456	0.4
59.01400	0.3
69.86700	1.0
78.26433	0.3
78.41342	0.3
87.19920	0.3
98.22583	0.4
106.41769	0.3
126.43734	0.3
129.05630	0.4
135.04936	0.3
139.11456	0.3
150.32014	0.3
165.12823	0.5
167.14421	35.4
168.14815	1.2
185.15492	1.1
211.13411	42.1
212.13745	1.0
229.14452	100.0
230.14812	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03458	1.9
58.00574	0.3
58.17192	0.3
60.67735	0.2
62.66620	0.2
69.75430	0.5
69.75822	0.6
71.05019	0.5
75.10260	0.3
83.05019	0.6
84.02170	0.4
85.02972	0.6
85.37002	0.3
97.06621	0.3
98.22639	0.3
113.20082	0.2
124.03651	0.3
125.09747	2.9
127.11312	4.7
152.52647	0.2
153.26491	0.3
155.14438	2.3
165.12851	0.9
167.14423	1.6
171.10292	4.2
183.13902	1.1
193.12343	0.4
201.15005	0.5
209.11830	3.2
211.13431	6.9
212.13802	0.4
229.14458	100.0
230.14737	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	229.1448
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.65422	0.3
54.21788	0.3
57.03437	1.5
59.01387	18.4
67.69131	0.3
70.49740	0.6
71.05038	0.9
83.05032	0.5
84.02203	0.5
84.50206	0.3
85.02921	0.7
97.06593	0.7
115.00721	0.4
125.09740	4.4
127.11310	4.9
139.11290	0.6
141.05432	0.3
155.14436	2.7
163.95218	0.4
165.12898	0.7
165.85234	0.3
167.14436	1.7
171.10350	0.9
172.05208	0.5
172.08971	0.5
182.33925	0.4
186.06828	0.4
187.11191	0.5
200.04800	1.0
201.09193	0.9
209.11848	2.4
211.13457	3.3
214.06302	0.7
229.08817	3.1
229.14459	100.0
230.14755	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	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
59.01377	4.1
66.03515	0.9
70.99601	0.9
71.01383	1.3
71.05011	2.1
72.04554	3.5
72.99326	3.8
73.01172	5.8
80.05060	2.3
80.95809	1.0
82.02989	9.0
85.67710	0.9
86.06101	1.2
96.04558	29.8
98.02501	2.7
98.99099	5.7
100.04026	2.1
108.04569	27.6
112.04082	1.7
114.00205	84.4
115.92103	1.2
116.92867	3.1
132.98236	4.0
142.03336	100.0
143.03711	1.3
170.88388	1.3
174.99318	1.8
184.09860	1.9
186.02318	39.6
186.11330	4.8
186.99232	2.3
187.99619	4.1
188.97214	2.7
202.01161	4.8
202.98317	1.5
230.01270	72.9
230.10286	6.3
230.15512	2.5
231.01692	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	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76802	0.3
55.01875	0.5
59.01369	0.4
67.50323	0.3
69.19135	2.0
87.00883	100.0
88.01204	0.5
97.96523	0.3
114.09246	1.3
140.10814	2.3
142.08771	2.2
152.20894	0.3
168.10342	2.1
230.10309	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	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39580	1.6
76.48607	0.3
84.22787	0.3
87.00883	100.0
88.01211	0.8
114.09264	0.8
140.10847	2.2
142.08722	3.0
168.10303	3.0
206.70044	0.3
230.10330	4.9
245.20532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.135
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
55.01884	7.4
59.01374	2.5
68.01411	0.8
69.48932	4.4
71.01386	2.8
72.00919	4.8
72.04546	3.5
72.99299	1.2
73.02929	4.3
79.95732	1.9
82.02988	49.3
83.01395	1.5
87.00865	0.8
96.96008	3.6
99.00876	6.5
100.04114	1.0
106.62369	0.9
114.09249	1.8
114.66137	0.9
116.03571	1.5
127.07705	2.1
138.09204	1.4
140.10822	9.1
141.10358	52.3
142.08736	3.6
142.10675	1.0
142.12395	3.7
144.03024	13.7
156.10248	1.6
160.61467	1.1
167.11908	9.9
168.10313	100.0
169.10684	2.3
169.13455	6.7
185.12965	80.9
186.13307	2.6
189.07683	1.7
195.11400	8.1
196.09813	1.0
203.03456	1.4
211.10760	0.9
213.12460	88.5
214.12825	3.1
231.02551	1.3
231.13530	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	231.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	8.4
59.01383	2.6
62.90779	0.5
64.89486	0.4
70.02981	1.6
70.29120	1.3
71.01372	0.8
71.05024	4.0
72.00911	2.2
72.04568	0.5
72.99319	2.4
73.02980	0.4
74.02480	9.9
82.02989	4.5
83.04997	0.5
84.04558	10.1
86.02488	3.0
98.02523	0.5
99.05652	2.0
100.07706	0.8
101.07218	22.9
109.04084	8.3
110.02522	0.7
111.05663	2.6
112.04060	5.4
121.02917	0.5
126.09260	0.9
127.05149	60.8
128.03557	16.9
128.05531	1.3
129.06706	0.9
131.08289	1.5
132.98189	1.5
137.12192	0.4
139.05144	1.5
139.08902	0.4
143.11975	0.6
145.33742	0.5
146.08266	0.9
147.96591	0.7
156.10333	0.9
159.01677	0.5
166.08727	0.5
169.13478	1.7
171.01459	0.7
172.01007	0.5
185.09375	0.8
185.12903	1.4
187.10913	2.6
187.14536	1.3
188.97159	2.7
195.11365	2.4
211.10927	1.8
213.12462	88.0
214.02536	1.7
214.12827	2.8
214.14685	0.5
231.13512	100.0
232.13803	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	231.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	2.0
59.01381	1.2
63.68618	0.7
66.50717	0.8
70.02972	2.8
70.28886	2.0
71.05021	8.7
71.66138	0.7
72.00903	0.8
72.04546	2.5
72.99310	1.6
74.02480	8.9
82.02987	8.8
84.04554	12.6
85.04076	6.2
86.02492	2.7
86.06110	2.3
97.06445	0.8
98.06113	3.1
98.22520	0.9
99.95107	0.8
101.07208	4.2
109.04087	1.8
111.05663	2.1
112.02827	2.0
112.04058	2.2
113.03566	4.2
113.07196	4.2
114.05735	0.9
114.33248	0.8
115.08777	2.0
127.05151	24.4
128.03555	25.1
128.07190	1.9
131.08238	0.8
141.05603	1.8
141.06717	32.5
141.93040	0.7
156.10298	1.1
160.20924	0.8
167.81932	0.8
171.11423	1.9
180.30391	0.8
185.13028	1.1
187.14537	1.6
188.97220	1.8
193.92009	0.8
195.11415	7.5
197.09349	4.5
213.12465	90.5
214.02374	0.9
214.12898	3.8
231.13513	100.0
232.13895	2.7
245.33643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1603
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03447	1.5
59.01366	0.4
72.07819	0.2
80.60093	0.2
89.02741	0.2
91.94210	0.2
104.14944	0.2
106.93041	0.2
112.60121	0.2
125.63236	0.2
127.11307	2.7
134.03726	0.4
155.14423	0.6
159.04495	0.4
167.14478	0.3
171.10291	4.8
183.13954	0.6
185.15436	0.2
187.07661	0.5
195.13914	0.6
202.06306	0.3
213.14978	4.4
214.15295	0.3
229.14435	3.6
231.16016	100.0
232.16364	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	232.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
55.92916	0.3
57.03457	0.5
59.01379	1.3
60.39007	0.4
67.75381	0.3
67.87550	0.3
69.61789	0.3
69.92722	0.8
71.01384	4.2
72.04548	0.7
72.99319	1.5
79.95754	0.5
80.44994	0.3
83.01397	2.3
87.00857	0.3
94.94857	0.3
96.96020	0.7
99.00898	2.3
114.09252	12.1
117.01934	0.4
117.80219	0.3
133.72678	0.3
138.09288	0.5
140.10840	2.7
142.08746	100.0
142.12393	1.4
143.09082	2.3
145.01453	2.3
168.10310	38.0
169.10643	0.9
170.11932	0.8
174.99866	0.3
186.11273	1.7
214.10855	9.3
214.12920	0.5
232.11908	32.3
233.08040	0.4
233.12134	0.7
233.15508	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	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82486	3.4
56.66545	3.2
57.03454	6.2
59.01381	32.3
69.62519	13.3
70.32782	3.3
71.01387	22.0
85.02951	5.1
87.00871	3.1
96.96026	17.9
99.00882	29.0
111.00878	7.2
119.60476	2.8
128.08179	2.8
129.01988	10.6
145.00838	6.4
147.06651	10.8
149.16910	3.3
168.11903	3.5
187.39195	3.4
188.99913	3.9
189.01976	3.6
220.40862	3.3
232.98694	5.4
233.15477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53612	0.4
57.81946	0.3
59.67434	0.4
59.96725	0.9
60.97502	0.5
70.47949	0.7
74.99075	8.5
87.75934	0.3
91.02229	0.8
91.76174	0.4
93.00128	3.1
99.20104	0.4
107.29345	0.4
118.96295	1.4
128.01447	0.5
134.99409	8.1
136.97328	2.8
141.07390	0.4
143.05313	0.8
149.00967	72.3
150.01022	1.4
150.98880	0.7
159.08492	1.9
161.06429	3.7
174.67470	0.4
187.02580	0.4
201.04117	0.5
215.05696	1.6
217.07220	95.4
218.07410	3.6
233.10356	100.0
233.15331	10.8
234.10516	4.9
235.08337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1502
Annotation	Huperzine W
Peak:m/z	Relative Intensity
61.45896	0.3
66.32094	0.3
74.00363	0.4
75.02448	0.3
83.80856	0.3
106.61893	0.3
111.19773	0.3
164.66217	0.3
164.87550	0.3
204.15196	0.7
207.13919	0.4
218.11835	1.9
219.12697	1.8
234.15005	100.0
235.15295	3.3
251.11560	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	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.1
57.03439	6.4
59.01385	100.0
69.03468	1.3
70.59837	1.7
71.01393	77.8
72.99312	3.8
73.02955	34.4
73.10837	1.1
74.03235	1.1
83.01401	20.9
85.02960	46.4
87.00882	4.7
89.02461	9.1
94.03014	1.4
95.01429	5.5
97.02985	1.2
99.00894	15.2
101.02456	85.7
101.30252	1.1
105.03807	18.4
111.00900	2.8
113.02464	36.4
119.03524	1.6
119.05017	1.5
125.02493	2.2
127.79938	1.2
129.01936	2.5
129.03799	2.4
132.77103	1.4
135.04517	2.3
143.03511	2.8
159.03038	5.5
161.04587	14.9
163.00305	1.1
163.04034	1.9
163.07640	1.3
173.06015	1.2
175.04147	1.2
191.03503	2.1
193.05481	2.2
217.06232	1.7
235.06418	2.2
235.11839	16.3
235.15779	2.0
249.43047	1.2
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
50.20007	1.2
52.34037	1.1
53.07859	1.2
55.01887	13.3
57.03468	7.0
58.00594	1.6
59.01385	100.0
71.01388	88.1
71.05025	2.1
72.99305	2.9
73.02955	41.7
73.06594	1.9
83.01399	23.0
85.02959	52.8
85.58322	1.2
86.00090	3.0
87.00913	1.9
87.90353	1.2
89.02439	7.9
95.01398	6.6
97.02967	3.2
99.00903	14.0
101.02453	91.5
105.66705	1.2
111.00894	4.0
113.01712	2.7
113.02465	34.0
119.03546	2.2
125.02481	2.4
129.01962	2.1
143.03522	2.2
159.02962	6.5
161.04576	14.9
163.04013	2.0
182.99959	1.4
191.03552	2.6
235.06325	1.4
235.09853	1.9
235.11858	13.8
238.55582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	12.8
57.03462	9.3
58.00609	2.3
59.01385	100.0
68.80338	1.4
71.01388	76.3
71.05019	4.3
72.99294	2.2
73.02950	38.6
73.06592	2.2
83.01388	24.5
85.02956	50.5
86.00095	1.8
87.00872	4.3
89.02441	4.1
95.01388	5.3
97.02955	3.1
98.22696	3.3
99.00874	15.3
101.02448	97.3
111.00861	2.9
113.02451	33.4
129.01964	2.0
129.91560	1.5
143.03526	2.1
147.04526	2.2
159.02980	4.8
161.04572	16.3
163.04062	2.0
165.62930	1.5
167.83247	1.4
183.55745	1.6
191.03445	1.7
191.07085	3.0
218.51678	1.7
235.02530	1.6
235.11847	19.6
240.07690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16319	0.2
63.82806	0.2
70.43749	0.4
115.30547	0.2
134.03673	0.6
135.04543	0.5
136.05293	0.6
137.61380	0.2
142.25963	0.2
148.04115	0.5
148.05321	10.7
149.05959	0.7
149.09772	1.3
152.27873	0.2
162.06801	0.4
175.07677	0.3
176.08400	0.8
177.09225	45.9
178.09610	1.7
190.10019	1.6
191.10776	1.0
192.11578	32.6
193.11966	1.8
200.60019	0.2
201.09187	0.6
203.07216	0.7
217.08723	3.2
218.09505	8.7
219.09805	0.3
236.10559	100.0
237.10927	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	237.062
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03447	1.8
59.01370	1.3
70.75560	0.6
71.01389	0.6
72.99346	0.6
75.00918	0.6
78.95482	0.8
78.95917	7.5
85.02959	1.6
87.00886	100.0
88.01224	1.1
96.99780	0.5
99.00912	0.5
129.01962	11.6
154.90567	0.8
194.93884	0.5
212.15517	0.5
218.86949	0.5
237.06160	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	237.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96038	1.4
57.03445	2.4
62.20653	1.4
75.00885	1.5
78.95921	7.2
85.02957	2.1
87.00887	100.0
93.03465	1.4
99.09988	1.4
129.01961	13.5
154.91643	2.1
212.04761	1.3
237.06137	2.9
249.79927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
66.86225	1.6
69.40410	5.0
72.99297	6.8
87.00884	12.5
88.89909	1.2
91.05532	5.8
91.17108	1.3
93.03449	3.2
106.04253	3.2
107.05045	46.1
108.02161	1.5
121.02956	6.0
131.05025	2.2
133.06596	21.6
134.03754	1.6
135.04544	3.5
149.06087	63.6
151.03957	1.6
152.77901	1.3
163.03983	1.7
177.04048	3.0
177.05588	56.4
178.05981	2.3
179.03526	85.2
180.03783	2.9
195.06622	9.4
221.04588	2.9
239.05618	100.0
240.05907	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06942	1.1
53.66042	1.2
59.01377	1.6
69.25553	5.2
86.78217	1.1
87.00886	12.0
91.01889	1.2
93.03459	2.3
96.12371	1.2
98.21838	2.3
102.00420	1.0
106.04230	4.1
106.24615	1.4
107.05034	44.8
107.05731	2.7
108.02203	1.9
113.53829	1.1
116.08946	1.2
121.02962	4.8
131.04996	1.6
133.06613	20.9
134.03767	1.9
135.04521	5.9
149.06097	49.8
150.06355	1.4
177.05589	56.8
179.03511	100.0
180.03845	3.5
195.06561	8.0
221.04555	4.1
239.05614	97.8
240.06027	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	239.0563
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
59.01392	2.6
61.01170	1.3
64.44411	1.2
68.73717	1.2
69.77459	4.6
70.44709	1.1
72.99313	17.7
87.00883	9.2
88.66906	1.2
91.05538	15.9
93.03470	1.8
99.00069	1.2
106.04208	2.4
107.05045	35.4
108.02219	1.8
109.03052	1.4
117.03455	4.7
119.05009	1.6
121.02979	6.2
131.05054	4.3
133.06606	18.2
133.75163	1.4
134.03818	1.8
135.04523	4.9
146.01552	1.4
149.06100	56.5
150.06395	1.6
163.04059	6.1
177.05577	51.7
179.03514	72.7
195.06627	6.5
221.04579	3.7
236.58029	1.3
239.05630	100.0
240.05875	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	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94343	0.1
59.01371	0.3
59.96714	0.7
67.32597	0.1
68.97867	0.1
74.99078	11.8
75.96217	0.2
75.99023	0.2
91.02216	9.4
93.00141	4.0
105.97038	0.1
149.00963	4.9
149.06155	0.2
150.00955	0.2
150.98930	0.3
177.05605	0.3
206.99710	3.1
207.99892	0.2
221.04875	0.2
223.02844	100.0
224.02879	5.2
225.00745	0.2
239.05884	0.9
239.12944	0.2
241.03905	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46296	1.7
59.01384	100.0
71.01379	2.3
71.09838	1.9
72.99311	1.4
73.01180	2.2
73.02953	1.8
78.95953	2.1
85.01196	2.9
85.02975	4.4
87.00895	7.9
89.02460	2.8
96.27909	1.6
99.00902	2.1
103.02246	25.7
114.37094	1.6
117.00444	2.2
123.04484	2.3
124.76363	1.6
133.03267	7.5
135.04544	2.4
140.96011	5.9
141.01962	1.9
142.98418	4.5
151.04375	13.3
153.66167	1.5
161.04582	7.2
165.05602	6.7
177.05537	4.2
179.05620	24.7
195.06500	3.9
221.06592	4.0
223.02768	1.8
239.05798	9.6
239.07986	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	239.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57088	0.9
59.01383	100.0
68.46630	1.0
70.17586	2.9
71.01384	11.4
72.99316	1.6
73.02954	1.8
75.00864	1.5
85.02489	1.3
85.02945	6.7
87.00880	6.9
89.02446	11.6
94.95744	1.1
96.96973	1.1
97.02975	0.9
99.00874	1.5
101.02445	6.7
103.02182	1.5
108.90135	1.2
113.02446	1.9
119.03509	1.6
122.92224	1.0
125.02481	2.2
131.03503	5.2
136.96794	2.4
140.95984	21.6
161.04564	7.3
162.94705	1.5
165.04027	3.3
178.94287	1.6
179.05602	21.4
203.02313	1.1
206.36638	1.0
221.06624	8.9
239.07822	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	239.0928
Annotation	CMPF
Peak:m/z	Relative Intensity
51.84764	1.0
52.99646	1.1
53.47525	1.0
59.01384	100.0
72.99313	18.4
73.87809	1.0
78.02498	1.1
81.03487	2.9
85.50267	1.3
87.00894	5.8
91.05540	13.2
95.05050	2.1
96.96022	3.6
97.06599	3.9
106.04250	2.8
107.05041	16.9
109.06596	3.6
115.05565	3.1
117.03482	4.0
119.05042	2.0
121.02993	7.5
123.66859	1.1
129.08936	1.2
131.05025	2.4
133.06599	7.9
135.04558	2.6
135.08208	3.6
135.96458	1.2
141.05589	9.7
149.06091	46.9
151.11308	4.0
157.08727	4.4
163.04044	8.3
177.05589	32.1
177.09230	1.9
179.03517	42.0
179.05186	2.3
179.06938	1.9
180.03941	2.5
193.68983	1.1
195.06630	2.9
195.10281	34.5
221.04684	1.9
221.08192	1.9
223.02838	4.5
239.05640	57.8
239.09283	27.2
239.12776	2.0
240.06071	1.7
259.27811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46436	0.4
69.01761	0.3
70.72047	0.5
70.78205	0.4
71.27021	0.4
74.99069	0.4
95.05017	1.7
99.08192	0.4
101.06088	9.3
109.06593	5.4
110.43786	0.4
111.08172	6.4
120.46117	0.3
122.03722	1.1
125.09730	0.8
136.70026	0.4
138.06883	3.6
139.04018	15.3
139.07587	0.5
151.11287	0.8
154.06369	34.6
155.06721	0.6
167.14432	12.1
179.10738	4.9
180.11447	0.5
182.05855	3.0
185.08215	0.4
185.15465	0.5
195.13911	100.0
196.14282	3.3
222.58936	0.4
223.02956	0.9
239.06949	0.6
239.12918	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	239.1292
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01870	3.7
57.03223	1.0
57.03453	12.8
59.01374	2.3
67.01879	1.5
69.03436	1.2
71.05019	1.9
80.02658	1.3
81.03462	5.6
82.87978	1.0
83.01382	3.7
83.04523	1.1
83.05031	22.7
84.02186	6.4
85.02957	100.0
97.02951	5.1
97.06602	1.2
98.09874	0.8
109.06606	3.1
110.03710	4.3
123.04494	1.2
127.11295	0.9
136.05275	1.0
142.02719	1.0
149.06085	2.8
149.09738	1.6
153.09216	1.1
155.10814	5.5
155.11919	0.7
171.10258	5.1
177.05573	2.0
177.12891	5.6
179.03470	2.4
193.12366	6.7
195.13983	5.8
199.30457	0.9
221.11839	46.6
223.02855	3.6
239.05551	3.9
239.12906	97.0
240.13234	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	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03453	6.1
59.01383	100.0
60.01728	1.0
64.75073	0.7
67.05524	1.0
71.05027	1.4
71.27615	0.7
83.05052	1.1
93.22042	0.6
96.95992	0.9
99.04539	2.3
99.18307	0.5
119.08664	3.6
127.30147	0.6
135.08182	1.3
135.11827	1.2
137.09749	6.5
153.12845	1.2
161.09784	1.0
163.07669	2.3
179.10831	4.1
181.08719	18.1
195.10207	0.7
197.11838	38.5
198.12146	1.1
223.09840	2.1
241.10823	14.2
241.14571	1.8
241.21777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03444	1.0
59.01384	47.2
63.65625	0.7
69.03444	4.9
69.09195	6.7
71.01387	1.0
72.99307	3.9
78.91897	36.8
92.75179	0.8
107.08681	14.1
111.04522	1.8
119.08646	2.4
120.66505	0.8
123.08166	1.9
135.08281	0.9
150.89104	0.8
151.07646	2.8
153.09315	1.2
155.31693	0.8
169.08720	1.6
181.08711	13.3
196.96126	3.1
199.09772	100.0
200.10097	3.2
240.95041	5.0
241.10832	3.2
246.90343	0.8
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
51.30732	0.6
57.03456	1.2
57.33935	0.5
59.01382	1.0
69.03464	3.4
69.43171	2.3
71.05027	4.1
81.03484	1.0
83.05047	3.1
87.10028	0.6
91.67356	0.5
97.06593	0.7
115.51255	0.6
117.09105	0.6
123.08167	0.8
125.09721	1.9
137.37199	0.6
151.11237	1.2
153.12885	3.4
161.09706	1.2
172.05280	0.6
179.10806	6.5
197.11844	100.0
198.12109	3.3
223.09763	2.5
237.01695	0.6
241.08931	2.4
241.10834	66.0
241.21524	0.7
242.11189	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87367	0.9
57.03442	1.5
69.03464	1.0
83.05019	2.6
95.05009	1.7
96.98426	0.9
97.06597	12.1
101.79333	1.1
109.06567	1.5
111.08175	10.1
147.11748	1.3
152.49260	1.0
163.11310	3.3
165.12852	100.0
166.13181	2.3
197.15483	17.6
209.11827	3.3
228.90176	1.0
241.14389	3.9
241.18169	1.4
249.13686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01876	1.1
55.01871	2.8
57.02563	1.3
57.03440	2.3
66.03487	1.9
68.05042	1.3
69.03465	7.7
69.89524	1.2
70.75611	2.0
72.04548	6.5
72.49577	1.2
73.02958	1.3
81.03456	1.5
82.02992	50.5
83.01394	14.2
83.05006	1.4
84.04540	3.5
85.02953	6.0
93.03436	1.6
94.02992	5.7
95.05019	2.9
96.04561	79.7
97.02962	12.3
97.04918	1.8
98.02497	11.6
98.06128	5.3
100.04049	14.8
101.02447	8.6
107.05041	17.0
108.04585	2.1
109.02964	1.4
109.04073	1.9
109.06589	2.1
110.02493	3.6
111.04548	1.4
112.04040	2.7
112.07693	5.0
114.05659	1.5
119.05047	2.6
122.06143	9.6
124.04058	11.4
124.07681	3.7
126.01991	16.5
127.05148	5.5
128.03549	29.7
132.04453	2.1
134.06099	9.8
134.99872	1.2
135.04576	2.0
136.04063	6.5
137.06104	12.2
138.05629	3.4
140.07135	3.5
144.03050	4.2
145.01334	1.4
145.06215	12.2
150.05612	16.2
152.07172	6.7
154.05066	2.1
162.05624	10.5
168.06638	2.8
180.06715	5.9
196.06175	4.8
213.08850	2.3
242.06718	100.0
243.07169	3.5
243.09882	11.9
245.24863	1.3
250.72206	1.2
260.63486	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
67.01905	2.0
69.03461	35.3
69.27171	4.1
69.27589	2.4
70.39923	1.1
79.01895	11.0
85.00464	1.2
86.05607	0.9
95.01438	1.2
95.74734	0.9
96.96028	1.1
97.02958	19.9
98.22757	1.4
101.10864	0.9
101.39984	1.1
107.01402	16.0
108.02185	64.3
109.02950	4.2
110.02501	1.4
111.00899	4.8
121.02901	2.6
123.00889	2.5
125.02454	34.4
126.02788	1.4
128.03534	1.7
135.00899	67.2
137.02452	4.3
151.00375	1.4
152.01170	100.0
153.01569	2.4
171.84283	0.9
197.06161	4.2
243.06575	10.6
243.10222	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	243.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	1.0
62.18944	0.9
65.27174	0.9
66.03500	1.9
67.07141	1.1
70.63665	1.2
74.02479	1.7
82.02993	19.9
83.48019	1.0
84.04549	5.1
85.02948	1.4
86.06125	1.8
96.04565	10.0
97.02985	1.8
98.06122	14.8
101.07171	1.5
108.60455	0.9
109.04089	6.5
120.04605	1.1
125.03560	1.9
127.05153	21.6
128.03555	100.0
137.07156	1.5
138.29160	1.0
145.06210	32.6
151.08794	1.4
159.30023	0.9
163.08812	2.8
169.09882	2.1
187.44966	1.1
195.07849	2.1
207.07803	1.8
213.08820	7.7
225.08835	1.8
238.61116	1.2
243.09866	31.2
244.50790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87458	0.8
53.99783	0.8
58.02975	1.2
66.03482	2.4
69.03450	1.9
70.61263	1.2
71.88753	0.8
72.00912	1.1
74.02493	1.3
80.05042	1.0
82.02549	1.5
82.02995	21.2
83.05014	1.3
84.04562	5.9
85.02937	1.1
86.06130	2.1
88.64384	0.8
89.81535	0.8
96.04559	10.3
97.02962	2.5
98.06124	15.5
99.05708	1.0
100.04003	1.1
101.07217	1.4
109.04076	5.8
110.02458	4.6
112.98814	1.2
120.08271	1.0
120.40739	0.8
125.03574	2.9
127.05154	19.8
128.03554	100.0
129.04007	0.9
131.06305	0.8
137.07201	1.3
142.35632	0.9
145.06203	35.8
151.08780	2.9
153.10318	0.9
163.08792	2.9
169.09807	1.2
174.20363	0.9
195.07860	2.0
207.07793	2.3
213.08832	7.9
225.08910	2.5
234.58682	1.0
243.07187	1.9
243.09871	33.8
244.10123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01873	2.4
59.01377	3.6
64.06864	0.9
71.05012	2.5
71.41286	0.9
73.02954	100.0
74.03305	0.8
83.05005	1.1
87.71176	0.8
97.02951	3.4
99.00883	12.0
110.03799	1.1
111.00909	2.4
125.09736	17.1
155.10786	1.4
163.11310	5.0
169.08720	6.5
181.12361	19.3
182.12872	0.8
183.10275	0.9
199.13412	24.5
201.11340	6.9
207.10283	23.0
208.10693	1.6
225.11346	43.5
226.11688	1.5
243.12379	65.8
244.12791	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	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
50.64288	1.3
57.03442	4.6
59.01385	72.4
59.05026	1.2
67.01886	1.1
69.03463	1.1
69.22289	7.5
73.02949	4.5
83.76887	1.1
85.03020	1.2
98.21925	2.9
111.00858	4.3
128.03566	2.6
137.09673	2.1
139.11310	49.2
140.11620	1.8
155.10808	1.4
163.11349	2.1
181.12347	32.1
183.10277	64.4
184.10631	1.9
199.13417	18.6
201.09317	2.2
201.11189	2.1
207.10295	6.6
225.11339	30.0
243.10364	4.3
243.12386	100.0
244.12633	3.7
261.47314	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
58.04467	0.5
59.01369	1.0
67.01895	0.6
69.71826	0.6
71.05032	3.4
73.02934	1.8
73.52914	0.7
75.68838	0.6
85.00520	0.6
94.73319	0.6
95.11261	0.5
97.02975	4.5
97.06597	1.2
98.21908	1.9
99.00890	17.8
99.01530	0.9
99.44832	0.6
109.06590	1.3
110.03748	2.7
111.00887	1.7
125.09753	5.7
135.08203	0.6
142.02710	1.0
154.29616	0.7
155.14420	1.4
160.48141	0.6
163.11348	6.7
169.35826	0.5
181.12363	17.2
182.12788	0.6
197.11790	0.8
199.13412	16.9
207.10289	33.1
208.10643	1.5
225.11343	67.9
226.11670	3.7
240.73305	0.6
243.12387	100.0
244.12727	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	243.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51763	0.6
57.03440	2.4
59.01387	61.9
59.46087	0.7
62.41427	0.6
68.11145	1.0
69.03461	0.9
69.06702	3.1
69.07130	2.1
72.99316	9.3
73.69598	0.7
83.05019	0.7
93.07092	2.4
95.08649	1.2
101.41380	0.6
111.00935	0.9
111.08185	1.4
121.06592	1.2
121.10246	1.1
128.84093	0.8
137.09738	1.0
139.11356	1.4
155.10840	3.9
183.10286	59.9
184.10645	2.0
201.11345	100.0
202.11688	3.2
214.06410	1.6
225.11436	1.5
243.06516	0.9
243.10379	4.0
243.12474	5.0
243.16075	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	243.1968
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
53.79639	1.7
59.01362	3.3
67.01892	4.0
70.67939	2.0
70.68265	2.5
81.95047	2.0
85.00429	6.1
99.00940	2.1
111.00884	8.0
112.98842	2.3
116.92899	3.2
128.03603	2.7
181.16063	2.6
195.17616	5.4
197.19136	76.6
198.19414	3.6
203.43088	2.4
225.18605	2.3
243.15962	4.6
243.19666	100.0
244.17351	2.1
244.19882	2.2
253.17590	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	245.0434
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
52.16692	1.7
58.72342	1.4
59.01385	75.2
69.03486	1.5
69.08411	1.3
69.36971	4.0
69.37353	2.9
71.01387	3.5
72.99325	8.2
78.95910	29.9
82.02979	10.6
83.03341	1.8
84.04549	2.9
85.02920	1.6
85.04899	1.3
87.00412	1.9
87.00885	18.4
89.02431	4.0
96.04551	4.6
96.96938	3.0
97.04882	2.1
98.06108	7.6
99.06463	3.1
101.02442	6.0
103.00380	100.0
103.92050	1.9
109.04081	3.6
119.03516	9.2
120.08224	1.9
127.05138	8.0
128.03545	34.3
128.05515	4.3
129.03163	1.4
129.03922	13.9
129.05650	4.6
130.03996	31.3
130.94380	2.9
132.98204	4.1
138.98039	8.4
140.95969	11.5
142.96661	1.7
145.06201	10.9
146.06499	3.7
147.06668	11.8
152.95932	7.6
152.99611	23.2
156.99109	3.8
158.96100	6.2
170.97046	8.6
171.00685	11.2
174.99266	20.0
184.97646	4.1
199.00865	1.7
202.98756	3.5
209.06653	3.3
215.09348	4.5
244.61263	1.4
244.99921	2.2
245.04382	24.0
245.10309	25.9
257.54800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1145
Annotation	H-GLU-VAL-OH
Peak:m/z	Relative Intensity
59.01366	1.9
67.03012	1.1
69.74221	2.9
72.00912	1.7
72.91964	0.8
74.02472	3.7
78.95872	0.8
82.02988	4.8
82.71023	1.0
84.04547	7.5
84.29008	0.9
87.00868	3.4
87.04513	5.0
98.02494	1.3
99.04512	4.8
99.05663	0.9
100.04041	1.8
101.07214	3.1
109.04094	11.6
116.07191	71.3
117.07510	1.0
125.03567	2.3
127.05151	100.0
128.03554	90.8
128.04591	1.5
128.05528	1.6
144.03072	2.6
145.06206	26.4
174.99312	1.9
178.26651	0.9
183.11470	1.8
184.28006	0.8
209.09340	13.0
227.10399	38.7
245.11436	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	245.1185
Annotation	Plicatin B
Peak:m/z	Relative Intensity
56.55206	0.7
59.01370	1.2
65.03967	1.7
79.05527	1.1
88.07639	0.7
104.06281	0.7
112.91797	0.7
122.03764	1.1
129.05460	0.8
135.04509	1.7
143.08630	0.9
146.03787	4.1
147.04547	4.5
158.03810	0.8
159.03352	1.0
159.04536	9.8
161.02425	1.7
171.46384	0.7
172.05292	4.8
173.06104	6.3
175.04036	1.4
176.04698	0.9
180.05833	1.9
183.04492	3.8
184.05313	3.8
185.06047	4.0
185.09708	1.1
186.06856	2.1
187.04054	4.5
187.07664	5.4
188.04697	0.8
189.01926	0.8
196.05273	3.5
197.06096	47.2
198.06842	8.5
199.07541	1.5
200.04744	1.0
201.05580	9.4
201.09213	8.4
202.06342	3.3
211.07666	10.7
212.08356	3.6
213.09224	100.0
214.09558	3.2
215.07143	28.5
215.10759	2.1
216.07668	0.8
217.01440	1.5
217.12115	1.0
227.10751	6.7
229.08710	5.5
230.09496	38.9
231.09851	3.0
245.00858	2.1
245.04642	2.6
245.11844	73.0
246.12146	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	245.1397
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
53.38742	0.5
57.03455	2.6
59.01380	1.2
60.16728	0.5
60.29502	0.5
69.53900	1.6
71.05022	1.3
83.05019	1.1
97.06604	1.2
98.21768	0.5
99.00873	0.6
111.08158	3.4
125.09752	1.0
155.14418	1.8
157.96771	0.5
161.68062	0.6
163.11259	0.6
165.12859	20.6
181.12314	0.9
183.13904	19.4
184.14374	0.9
201.14977	10.3
203.12862	1.0
209.11852	15.3
225.11215	1.6
227.12914	50.6
228.13210	1.7
243.12256	0.7
245.01056	1.2
245.13954	100.0
246.14326	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	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65889	0.2
52.92958	0.2
59.01384	49.9
60.01731	0.2
63.20071	0.2
69.02705	0.3
69.17743	0.8
69.18152	0.8
75.49942	0.2
78.32810	0.3
86.53116	0.2
92.63928	0.2
125.09747	0.4
127.11300	4.5
139.11269	1.6
142.06633	0.2
143.31287	0.2
155.10799	2.5
157.12352	20.7
158.12740	0.4
158.94759	0.3
167.49103	0.3
180.70573	0.2
185.11842	15.0
186.12244	0.4
201.11320	0.6
203.12894	100.0
204.13254	3.0
235.07239	0.2
235.85556	0.3
245.08525	0.3
245.11742	0.4
245.13976	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	246.9886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40142	0.3
63.02392	0.7
65.00325	0.8
68.99810	0.4
69.16725	1.4
69.17128	0.6
75.02402	1.6
79.01886	0.7
91.01907	14.0
92.02246	0.4
93.03457	1.1
95.01394	0.5
103.01913	0.4
110.90735	0.3
112.80073	0.3
119.01395	12.7
120.01699	0.5
121.02950	1.8
131.01398	0.5
137.02496	0.4
147.00896	36.7
148.01201	1.0
162.04645	0.3
165.01924	1.2
175.00383	15.9
176.00810	0.5
191.03444	0.6
197.11673	0.3
202.99878	61.9
204.00238	1.7
246.98854	100.0
247.02415	3.4
247.17014	0.5
247.99164	3.5
266.21524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9886
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02421	0.6
64.18887	0.1
65.00325	1.0
68.99827	0.4
69.43945	0.7
70.06171	0.2
75.02399	2.1
79.01905	1.0
91.01904	15.4
92.02224	0.2
93.03478	1.1
95.01408	0.3
103.01898	0.5
107.01427	0.3
107.53840	0.2
119.01405	15.1
120.01749	0.3
121.02963	1.5
122.63590	0.2
124.19992	0.1
131.01393	0.6
147.00903	37.8
148.01230	0.9
150.48077	0.1
165.01935	0.9
175.00388	16.9
176.00749	0.4
176.40764	0.2
190.99896	0.5
202.99887	65.1
204.00241	2.3
208.98387	0.2
218.99400	0.2
239.07491	0.2
246.98856	100.0
247.99188	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	247.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83612	0.1
59.87900	0.1
69.19450	0.8
89.03980	0.2
91.05543	0.2
93.03453	0.2
95.01398	0.2
103.05567	0.2
103.40572	0.1
105.03474	0.5
107.05035	0.3
109.70336	0.1
117.03464	0.4
117.91857	0.1
119.05032	1.8
121.02997	0.3
125.54190	0.1
129.03467	0.2
130.04257	0.2
131.05028	0.3
133.02997	0.4
135.04562	1.2
145.01357	0.1
145.02962	3.2
146.03720	0.3
147.03352	0.2
147.04530	3.6
148.01613	0.1
149.02390	0.3
158.03822	0.2
159.04550	0.3
161.02499	0.6
163.00401	0.2
163.04007	3.0
173.02452	3.9
174.03212	0.9
175.04028	2.6
176.01031	0.6
177.01942	0.5
185.02461	0.1
189.01953	0.3
190.02719	3.4
191.03510	14.1
192.00638	0.3
192.03859	0.5
195.93388	0.1
201.01920	0.9
203.03484	1.2
205.01376	0.4
217.01439	0.2
218.02232	0.6
219.02992	5.4
220.03375	0.2
229.01382	0.5
230.01968	0.1
246.01630	0.8
247.02487	100.0
248.02823	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	247.1341
Annotation	Periplanone B
Peak:m/z	Relative Intensity
50.70493	0.6
55.33940	0.6
57.03441	1.0
59.01381	1.5
71.21194	0.5
71.42268	0.6
77.23404	0.6
77.39558	0.5
88.38994	0.6
121.02905	0.6
133.06606	8.0
144.05797	1.3
147.00914	1.1
149.06245	0.6
151.11279	0.8
157.06621	1.4
158.07352	1.6
161.06113	10.1
161.09660	0.9
162.06848	1.4
171.04671	0.6
171.08165	1.3
175.07639	1.9
177.05550	1.0
185.06097	6.9
186.06882	30.1
186.10495	1.7
187.07396	0.9
187.11223	1.1
189.05600	5.5
189.09232	3.1
191.03488	1.6
202.99817	2.3
203.07225	1.5
203.10803	7.5
203.14403	1.6
204.07939	7.2
205.12367	4.3
213.09254	0.8
214.10045	5.5
219.02939	0.7
229.12354	15.0
232.11014	2.1
246.98911	3.7
247.02533	10.7
247.13402	100.0
248.13722	4.6
252.26015	0.6
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	3-Hydroxy-14-calamenoic acid
Peak:m/z	Relative Intensity
57.03440	9.2
59.01370	4.7
59.32845	1.9
63.34414	2.4
69.06601	13.2
81.03468	4.4
93.03481	2.5
93.07114	12.6
95.05025	4.1
97.02966	6.6
97.06596	10.8
97.88752	2.2
100.61298	2.0
103.80175	2.0
107.05040	9.2
109.06583	6.8
111.08153	3.1
120.05837	4.2
121.06582	4.4
133.10251	6.7
135.08212	12.0
137.09775	2.2
147.08163	6.7
151.06529	2.2
151.07678	9.8
161.13370	6.0
163.11269	2.6
165.09215	23.0
169.10213	3.7
185.13356	8.3
186.95677	2.5
187.11281	9.5
189.09302	2.9
201.12808	3.5
202.99898	5.6
203.14438	82.1
204.14845	3.7
210.72801	2.2
219.02963	2.2
245.18709	2.2
246.98790	6.0
247.02615	11.4
247.13403	100.0
248.13705	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	247.1705
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01377	0.2
61.94797	0.1
63.18088	0.1
80.71747	0.1
85.69684	0.1
91.01865	0.1
103.01372	0.1
119.01369	0.2
147.00899	0.3
154.84027	0.1
159.51740	0.1
202.99873	0.4
204.15161	0.2
205.15958	0.4
220.17064	1.5
231.13954	0.6
232.14421	0.1
246.98949	0.7
247.02670	0.9
247.17039	100.0
248.17401	5.1
264.87646	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1344
Annotation	1-(S)-Methylbutyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	15.7
57.03453	7.5
59.01383	93.5
69.24367	11.3
71.01387	83.5
71.01791	3.1
72.99322	3.0
73.02951	41.0
73.55873	1.8
73.98972	2.0
74.51633	2.0
83.01393	24.7
85.02954	46.9
86.00076	2.4
87.00877	5.4
87.08165	2.4
89.02446	7.3
94.84766	1.9
95.01408	8.0
97.02925	2.3
98.22673	3.7
99.00896	12.7
101.02451	100.0
111.00879	2.5
113.02458	35.7
118.23841	1.8
125.02493	2.5
129.01950	3.2
143.03546	2.9
159.03004	5.2
161.04543	20.4
168.19431	1.9
177.09305	4.3
203.10823	2.5
205.08701	3.6
248.42865	2.0
249.07986	4.2
249.11108	3.8
249.13361	20.7
250.14499	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	249.1498
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
50.79791	0.3
57.03450	0.3
65.00323	0.4
71.29935	0.5
73.02956	0.5
81.07087	0.5
83.05047	0.7
85.02958	4.2
95.01348	0.4
98.21891	1.1
119.08681	2.4
123.08211	0.5
131.01367	0.4
139.07663	1.7
149.06088	1.5
151.50160	0.4
161.06084	1.3
163.11295	1.0
175.07648	4.0
176.98286	0.5
177.01997	0.4
187.14896	0.8
189.09183	1.2
205.01477	0.6
205.08904	0.6
205.15974	0.6
207.96684	0.6
231.13878	1.5
234.24214	0.4
248.96896	0.8
249.14970	100.0
250.14642	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	249.1497
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
57.03445	0.9
58.18520	0.3
59.01366	0.4
69.14255	1.4
71.01363	0.3
71.05010	0.4
73.02954	0.5
85.02988	0.3
95.01384	0.4
98.21886	0.5
107.05041	2.8
109.06594	1.9
133.06596	5.0
135.04527	2.0
136.05327	0.6
146.07445	0.4
149.06105	8.7
151.07664	35.4
152.07993	1.0
158.07277	0.4
160.98767	0.3
161.13298	0.3
162.06894	4.7
162.08409	0.4
162.08658	0.3
163.07648	2.2
170.07393	0.4
170.88164	0.3
171.08157	1.0
172.05331	0.4
173.06084	3.6
175.11288	0.3
177.09209	1.9
187.07663	9.0
188.08130	0.5
189.12885	3.5
191.07164	1.4
203.10754	0.3
205.08717	2.9
205.12376	1.6
213.12849	0.5
216.11545	0.3
231.13911	5.6
233.11824	0.9
248.96944	0.4
249.14973	100.0
250.14832	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	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
50.30333	1.6
59.01389	13.3
62.97978	1.4
65.00339	1.9
69.03460	38.2
69.42612	9.2
74.74048	1.5
83.05042	3.7
89.00328	2.9
93.03442	1.6
95.01393	2.8
95.05039	4.3
97.06603	2.6
98.22611	3.7
106.04259	1.9
111.08212	2.4
126.46299	1.5
134.07396	2.9
141.09140	1.9
149.13382	3.2
161.13322	1.9
167.10759	3.8
177.02005	1.7
187.14958	3.3
191.10852	2.1
193.12357	6.7
205.12294	9.8
205.15988	13.5
218.11916	1.8
221.15529	13.8
231.13898	27.7
248.96672	3.2
249.14973	100.0
250.14503	42.6
250.89059	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	250.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
56.25290	0.8
58.30303	0.7
59.01371	3.3
69.45976	1.2
69.46386	2.6
71.01385	3.5
73.02942	1.5
73.27890	0.7
83.01392	35.4
85.02961	1.3
91.48341	0.7
93.03477	1.2
98.02470	0.8
98.22643	0.8
101.02457	1.6
103.39676	0.7
107.03780	100.0
113.02467	1.1
118.02993	5.2
118.98148	1.0
119.05070	0.9
122.06126	18.6
128.05093	1.3
130.94397	1.7
132.04533	0.8
134.02490	30.5
135.04517	2.9
137.02443	0.9
144.04552	3.4
146.06139	18.0
147.94704	0.9
161.02460	1.2
161.04660	1.0
161.06122	1.7
163.04066	4.7
163.06401	7.1
165.95668	1.2
173.04803	1.0
174.05643	3.4
178.08751	12.9
189.01888	0.9
191.03516	1.0
206.08224	59.5
207.08676	2.6
207.96841	2.0
218.11847	1.3
234.11385	1.7
250.04587	1.8
250.07225	20.4
250.14491	47.9
251.05608	2.8
251.14818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
69.13814	5.9
89.02467	1.0
91.01877	2.0
93.32264	0.9
96.96013	2.4
97.06622	0.9
101.02448	1.2
120.68348	1.0
121.06670	1.3
129.07089	3.3
131.05051	1.6
133.06557	0.9
135.00887	2.5
135.04453	1.1
137.09636	0.9
140.79843	1.0
147.04456	1.2
147.08171	5.1
156.08028	1.1
159.14342	0.9
161.09732	1.2
163.00391	1.4
163.04001	1.5
171.11911	1.4
187.11371	0.9
189.12828	3.8
191.07155	3.7
193.08757	1.1
207.03046	1.2
207.13884	1.8
209.08133	1.0
219.06607	3.1
233.11736	2.2
250.98288	1.6
251.09325	1.6
251.12642	10.4
251.15146	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	251.0929
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
51.06972	0.6
59.01369	0.7
65.00294	0.8
69.03468	2.7
71.41228	0.7
80.34351	0.8
81.03462	2.5
83.01422	0.8
85.02980	0.8
90.44924	0.7
95.01391	0.9
97.02962	2.2
111.00895	1.9
124.01666	17.8
124.02509	1.2
125.02461	88.4
126.02793	1.6
127.00391	1.5
135.00922	2.4
136.98816	2.1
137.02492	0.8
139.00348	2.7
140.01160	4.3
151.00372	0.8
168.00688	1.9
169.01445	78.4
170.01779	1.7
178.99887	1.1
181.01454	1.5
241.42203	0.6
242.28925	0.7
251.09274	100.0
251.14670	8.0
252.09651	4.4
257.16513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.7
57.03451	6.8
59.01383	88.6
68.02547	6.4
71.01386	100.0
72.99314	3.1
73.02952	36.5
74.03356	1.0
75.00877	5.2
83.01392	19.1
85.02956	50.7
85.54195	0.9
87.00881	4.0
87.04513	2.3
87.11639	0.9
89.02448	19.2
93.03454	1.2
95.01370	8.1
97.02950	1.9
99.00887	11.8
101.02453	83.8
103.04063	1.1
107.05106	1.0
113.02456	33.7
114.02874	1.0
116.92907	0.9
119.03511	6.7
125.02409	2.0
129.01958	2.2
131.03476	1.1
131.19148	0.9
135.04533	3.7
137.02454	2.6
143.03522	3.8
147.42587	0.9
149.02475	1.6
159.03011	9.8
161.02469	2.3
161.04570	39.6
163.02721	1.7
163.04063	6.3
165.00439	2.6
177.05580	2.3
189.02008	2.6
189.05544	2.1
190.96101	1.8
192.95892	1.0
208.99426	1.1
216.39920	1.0
235.08022	1.0
250.98254	1.2
251.00531	1.8
251.11374	21.9
251.14581	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	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44885	0.9
51.46908	0.9
57.03459	2.8
59.01381	3.5
70.91516	1.3
71.01385	2.6
71.81342	1.0
72.99306	5.5
73.02955	1.4
78.95916	2.5
81.03458	2.5
83.01385	6.7
85.02971	6.6
87.00880	100.0
93.03465	20.3
95.05048	2.9
98.56212	0.9
101.02489	1.2
103.00384	3.6
108.02177	12.4
109.02977	2.9
121.02972	13.7
122.03772	1.7
123.04540	12.9
123.27112	1.1
124.01632	0.9
124.69067	0.9
130.99873	1.4
133.01407	1.6
137.06097	4.4
147.04489	2.6
165.05582	20.8
177.54364	1.0
253.03558	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	254.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63067	0.2
57.96746	0.2
58.15740	0.2
59.01396	0.3
69.18845	0.4
69.19125	1.3
87.00885	100.0
88.01225	0.9
123.04525	0.4
130.99878	64.3
132.00684	4.4
137.02452	0.4
147.04567	0.9
148.05272	0.5
254.04504	0.6
255.23303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81945	0.4
70.95120	0.6
70.95502	0.5
87.00344	1.1
87.00884	21.9
93.03488	0.6
95.05030	0.8
108.02217	0.4
109.02917	0.6
113.22976	0.5
121.02958	1.2
122.03743	2.9
123.04539	100.0
124.04849	2.5
131.05096	0.5
147.04526	0.8
148.05338	1.6
149.06100	22.0
150.03246	3.9
150.06422	0.9
151.03998	1.9
165.05598	15.8
175.04024	1.4
193.05090	13.3
195.03008	20.3
196.03340	1.0
219.02994	1.9
237.04045	2.4
252.60670	0.5
255.05127	56.5
255.23308	2.0
256.05453	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	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.8
59.01385	1.9
69.27500	4.2
72.99316	24.2
75.00864	1.3
87.00883	21.0
93.03465	6.4
96.15227	1.0
98.21822	1.1
99.00904	2.2
101.66626	0.9
104.70053	1.0
107.05049	7.9
119.05008	2.8
121.02967	2.3
122.03759	3.6
123.04537	100.0
124.04844	2.3
128.09848	0.9
131.05040	1.6
133.02942	2.7
135.04576	2.5
147.04526	4.6
148.05244	2.5
149.04887	1.7
149.06094	29.0
150.03201	2.9
151.04010	1.9
163.04082	1.3
165.05582	49.2
166.05960	1.7
175.04028	1.7
179.03535	11.3
193.05075	24.8
195.03001	20.0
219.02979	2.3
237.04121	1.1
255.05115	74.3
256.05408	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	255.0513
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
58.00599	7.5
59.01362	2.4
68.04004	0.9
72.99316	53.9
75.00876	3.4
81.73035	0.8
84.65030	0.8
87.00891	6.8
93.03468	12.2
94.32615	0.9
99.00877	2.4
106.04266	2.3
107.05038	18.4
108.02182	1.3
119.05025	4.2
121.02956	2.0
123.04531	23.4
123.05386	1.9
128.90086	0.9
131.05038	3.8
133.03001	8.5
134.23001	0.8
135.04539	5.4
147.04564	5.9
149.06110	15.8
150.03238	1.1
163.04048	1.4
165.05583	100.0
166.05940	3.5
168.50037	0.8
175.03947	1.9
179.03519	25.3
191.99893	0.9
193.05077	24.1
194.92804	0.9
195.03043	3.8
205.75859	1.0
209.04573	1.4
211.06017	1.4
255.05125	76.2
255.23349	1.9
256.05499	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	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96877	0.4
69.41759	2.2
74.39793	0.4
76.77840	0.5
87.00883	20.2
87.96472	0.6
93.87682	0.5
94.13792	0.6
95.05045	1.1
103.21539	0.5
108.02209	1.3
109.02931	0.6
112.55553	0.5
121.02975	1.4
121.06623	0.7
122.03748	2.9
123.04536	100.0
124.04862	2.5
131.05023	0.5
136.70918	0.5
147.04536	0.8
148.05341	1.0
149.06090	23.1
150.03220	4.8
150.06456	0.9
151.03952	1.5
165.05574	15.6
165.97768	0.5
166.05824	0.5
175.04018	1.3
189.13611	0.5
193.03320	0.7
193.05080	13.1
195.02994	19.8
219.02960	2.6
237.04091	2.3
255.05118	57.2
255.23398	1.2
256.05399	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	255.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44765	0.4
55.01880	1.9
55.87339	0.4
57.03448	0.4
59.01384	100.0
59.73920	0.4
59.76064	0.4
60.01710	0.8
71.05048	1.2
71.44212	0.5
72.79305	0.4
72.99342	0.6
73.02937	0.6
79.55106	0.4
79.75331	0.4
87.00881	7.4
87.04521	2.2
95.01414	0.8
95.05058	1.2
102.97407	0.4
109.42377	0.4
113.06097	0.8
123.00914	0.5
123.04491	2.1
133.10268	0.6
135.08167	3.6
137.09714	1.1
149.06035	0.5
157.60736	0.4
161.09737	10.2
162.10133	0.5
163.07648	3.1
165.05542	1.3
179.10794	9.4
181.08795	0.5
193.12366	3.7
194.47441	0.5
195.10303	1.9
196.27814	0.5
223.09790	3.4
226.22495	0.4
237.11276	0.6
255.05174	1.7
255.12401	16.8
255.23277	11.2
255.25793	0.9
256.23730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0458
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
59.01384	0.9
65.00338	0.4
67.01891	0.5
70.58125	0.2
71.05465	0.3
81.03458	0.3
83.01392	0.2
89.03995	0.5
93.03417	0.3
101.03966	0.2
103.05530	0.3
107.05068	0.2
115.05545	1.7
117.03484	1.5
119.01385	0.2
119.05048	0.3
120.02185	0.3
121.03027	0.2
123.00920	0.4
127.05528	0.2
129.03471	0.4
129.07114	2.3
130.04253	1.3
131.05043	5.5
132.02220	0.4
133.02985	0.6
139.05542	0.5
141.03481	0.5
141.07123	0.6
142.04253	0.3
143.03905	0.2
143.05032	4.1
143.06087	0.3
145.02977	2.2
145.06610	2.3
146.03708	0.5
147.00880	1.1
147.04523	0.8
148.01659	1.1
155.05038	1.5
156.05804	0.3
157.02982	0.5
157.06607	6.7
158.03748	3.9
159.04533	9.0
160.05028	0.2
161.02420	1.0
161.06120	0.3
163.04074	0.2
167.05048	4.0
169.02950	1.6
169.06645	0.9
170.03738	0.9
171.04536	1.7
172.01569	0.3
172.05305	0.8
173.02512	0.9
173.06088	7.3
174.03218	0.7
174.06372	0.2
175.00363	0.3
176.01170	2.6
177.01849	0.4
177.48112	0.2
182.03690	0.5
183.04515	4.8
184.05276	0.5
185.02458	21.5
185.06061	6.6
186.03198	4.7
187.04022	6.8
187.05736	0.2
189.01936	0.7
189.05568	0.5
191.03471	0.5
195.04524	2.7
196.05240	0.3
197.02432	3.1
198.03230	1.5
199.04065	1.3
200.01166	0.3
200.04778	0.7
201.01939	1.1
201.05588	9.4
202.05907	0.4
211.04016	7.0
212.04787	2.6
213.02100	3.9
213.05583	15.3
214.00598	0.3
214.02725	7.9
214.05949	0.6
215.03513	10.6
216.03833	0.3
227.03526	6.9
228.04221	1.6
229.05078	19.4
230.05377	0.9
239.03539	3.4
240.04218	0.8
242.02232	2.2
255.03018	0.6
256.03793	0.9
256.23663	0.5
257.04572	100.0
258.01932	0.5
258.04868	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	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
59.01383	100.0
72.89496	0.6
83.05013	1.1
87.04529	1.1
95.05049	0.7
96.96015	0.9
101.68729	0.6
125.09661	0.7
144.29097	0.6
163.11357	0.6
181.12383	1.5
183.10268	0.6
225.11304	2.4
257.08231	1.5
257.13953	27.0
257.17426	1.6
258.14264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	57.3
59.02367	0.6
61.18657	0.7
69.20844	1.6
69.21255	2.1
72.00932	0.8
74.02478	4.6
75.04498	0.9
82.02977	2.6
84.04553	11.8
98.02471	1.0
98.06165	0.8
126.05605	1.2
128.03548	8.3
128.10837	5.2
129.61574	0.8
141.10374	1.8
142.12428	1.0
154.12418	3.6
167.11862	0.8
169.13506	1.7
170.04691	1.1
171.15045	26.9
172.15356	0.7
197.12973	54.3
198.13359	1.7
213.16107	14.1
215.14023	46.5
216.14491	1.2
219.11247	0.8
257.04596	3.3
257.15100	100.0
258.15384	3.8
272.64886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2124
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
55.40073	0.9
71.24330	1.0
106.07079	1.1
106.15469	1.4
106.67314	1.0
108.86047	1.1
125.02419	1.4
173.82108	1.2
209.19141	4.5
211.20697	74.5
212.21017	2.6
257.21255	100.0
257.93890	1.8
258.21591	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	259.0227
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
53.28362	0.1
58.21906	0.1
59.01384	0.2
59.93842	0.1
62.96417	0.3
68.39162	0.1
71.01385	0.4
73.02956	0.1
78.95910	100.0
96.96970	99.4
101.02439	1.0
108.02732	0.1
109.53001	0.1
113.02393	0.1
136.93990	0.2
136.94966	0.2
138.98038	6.3
150.98021	0.2
156.91048	0.2
168.99081	2.4
178.96127	1.1
181.12587	0.1
181.95673	0.1
192.57695	0.1
196.92734	0.2
198.90515	1.1
198.92195	0.4
199.00137	2.9
214.93677	0.5
216.90645	7.9
217.90730	0.4
223.00127	0.5
234.91653	0.7
240.91577	1.3
241.01199	2.4
258.85031	0.2
258.91800	2.7
259.02249	16.8
259.92279	0.1
260.02539	0.4
276.88507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01377	3.2
66.03479	1.3
67.75212	0.9
68.01410	4.3
69.03444	1.1
70.02993	17.2
71.01379	3.9
71.02519	1.5
71.08327	1.2
72.00919	39.6
72.99313	8.7
73.02952	4.7
75.07556	0.9
78.95914	99.4
79.95758	1.1
82.02998	9.6
82.06627	1.1
83.01409	1.5
84.04554	1.5
85.02954	1.7
86.02486	5.9
87.00883	1.6
87.92528	1.7
88.04036	1.4
94.02986	4.3
94.06610	1.3
95.05047	1.4
96.00926	2.1
96.04568	20.5
96.96976	100.0
97.02977	2.4
97.04063	1.8
98.02486	17.3
98.06139	1.9
99.00890	9.2
100.04053	8.0
101.02470	1.6
102.05613	2.5
103.00388	1.3
103.92023	3.8
105.82115	1.0
106.06624	4.7
107.03809	2.4
107.05048	2.9
108.04575	6.6
109.89733	1.1
110.06133	1.2
112.04047	2.1
113.03581	1.7
115.00362	1.3
115.05141	4.4
116.03556	5.1
117.01946	4.3
119.05059	1.6
120.04584	2.1
122.06158	6.8
123.03246	1.4
124.04048	4.7
124.07700	10.0
125.03581	1.1
125.07242	2.3
127.05105	1.6
128.03552	8.4
129.10320	1.3
130.08734	6.2
133.01447	1.9
134.06152	4.7
135.04631	1.0
136.04045	4.1
137.07172	1.7
138.05600	6.5
138.98042	7.0
139.08762	1.0
140.07173	2.6
143.04625	8.8
144.03043	54.5
149.07214	4.1
150.05612	11.6
152.07199	3.6
154.05115	4.1
160.01659	6.5
161.05701	3.0
161.96202	4.0
162.05635	1.8
167.08281	13.3
168.06703	4.3
168.99051	2.4
169.09839	1.8
171.15027	1.5
171.94675	2.9
172.97733	4.4
172.99384	2.0
173.03125	1.3
176.01160	3.1
179.08292	8.0
180.06697	7.3
188.01210	2.1
188.09239	1.7
197.09373	11.2
199.00372	1.4
206.04543	1.3
211.07169	2.1
215.10396	2.4
215.14133	2.0
215.93608	3.6
223.07234	1.6
224.05687	4.5
230.99390	2.3
231.06607	1.2
241.01247	2.5
241.08337	38.7
241.11974	1.7
242.06683	1.3
253.13043	1.1
258.99084	1.8
259.02252	17.7
259.06464	1.9
259.09366	43.2
259.12915	4.1
259.99637	14.1
260.02475	3.5
260.09750	1.6
277.51431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33960	2.1
60.95837	2.1
66.03494	4.5
68.01405	7.8
68.85870	2.3
70.02982	31.3
71.02506	2.7
72.00917	66.3
72.99313	9.9
73.02946	8.2
74.02473	2.7
78.95914	6.4
79.95734	2.9
80.05064	3.5
82.02989	12.5
82.20321	2.0
84.04555	4.7
85.02954	2.5
86.02483	10.7
88.04053	4.0
93.03477	2.5
94.03004	8.0
96.04547	27.3
96.96959	5.6
97.02964	2.4
98.02486	26.9
98.06100	4.2
99.00867	11.5
100.04083	12.9
100.04633	2.2
106.06637	6.1
107.03786	4.4
107.05000	2.1
108.04573	11.4
113.03653	3.0
115.05149	7.0
116.03530	7.7
119.05035	11.0
120.04560	3.9
122.06138	9.8
123.04463	2.6
124.04044	8.5
124.07684	11.9
128.03526	11.3
130.08717	3.4
134.06120	5.2
136.04057	4.6
136.07701	3.7
137.07219	2.9
138.05644	12.8
142.01474	2.9
143.04630	18.1
144.03041	100.0
149.07176	6.2
150.05637	19.9
152.07246	3.7
154.05125	3.3
161.05734	5.0
161.07123	2.9
167.08263	20.0
168.06664	7.4
179.08295	15.3
180.06650	17.0
194.04585	5.1
197.09323	12.3
199.00766	5.3
206.04668	2.9
211.07196	2.6
215.00021	2.7
223.07283	2.9
224.05669	6.0
241.08324	65.6
242.06607	4.6
259.09354	69.8
260.02222	16.2
272.69849	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	259.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.5
65.75164	2.2
70.02971	2.4
70.06625	11.1
71.01393	2.4
71.05016	4.5
72.00919	12.7
73.02948	6.7
74.42713	1.7
78.95915	6.4
82.02990	16.1
96.96960	4.9
97.02969	1.7
98.02510	2.2
98.21865	7.5
99.00887	7.5
100.04066	13.5
101.02436	1.9
104.81089	1.5
108.02183	4.0
108.04566	10.7
114.05643	18.6
115.04011	3.9
123.05666	13.8
125.07217	6.6
127.02738	1.9
132.02194	5.9
135.04475	3.8
135.09300	2.0
144.03040	100.0
152.07179	9.7
153.10367	3.5
160.01666	13.0
162.04097	3.1
169.09859	10.3
171.11476	5.2
176.01178	8.1
179.03587	2.6
179.08406	2.3
187.00432	2.0
188.01215	10.0
197.07559	3.1
197.09344	54.7
202.99785	2.5
215.10382	24.3
223.07361	4.1
227.89404	1.9
230.99252	3.6
241.08353	11.9
258.98773	5.2
259.09399	9.3
259.11777	4.5
259.99655	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.5
59.71735	0.5
69.17487	2.8
85.25311	0.6
137.09740	9.1
142.53113	0.7
142.86971	0.6
155.10791	100.0
156.11115	3.0
160.01683	0.7
171.10284	21.0
172.10602	0.7
175.33527	0.6
181.08702	2.0
187.03957	0.8
197.11812	1.1
199.09773	33.0
200.10005	1.3
217.10814	93.2
218.11147	2.3
231.02972	0.8
259.02463	0.9
259.09210	0.8
259.11877	15.2
259.99594	0.8
260.12085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80455	0.2
56.33448	0.2
60.62453	0.2
68.79693	0.2
69.11234	1.4
74.47905	0.2
79.95740	0.3
94.06671	0.2
95.05023	0.5
96.08216	0.7
96.96015	1.1
107.03762	0.3
108.04585	0.3
109.05364	0.6
111.63653	0.2
120.04576	2.0
121.05360	3.8
122.06145	3.1
123.06932	0.9
124.07700	7.8
134.06149	3.2
135.06956	1.2
136.07698	100.0
137.06125	2.1
137.08057	2.3
138.09279	2.0
160.01773	0.3
173.13383	0.2
176.01062	0.2
191.11937	0.5
215.08344	0.6
216.13936	1.9
217.08751	0.4
229.09836	0.4
230.10579	1.1
244.12099	1.0
257.14606	0.2
259.10114	1.5
259.14517	8.5
259.89148	0.2
259.99573	0.5
260.15005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99482	0.3
59.26851	0.3
59.30153	0.3
61.08346	0.3
68.99800	0.4
69.35842	1.4
74.78885	0.3
85.02990	0.3
85.55698	0.3
92.02680	0.6
98.21841	0.5
104.02690	2.0
108.02190	8.6
109.02544	0.4
114.05540	0.3
119.01427	0.7
120.02168	0.6
123.00926	0.3
129.01974	0.7
130.08742	1.4
132.02187	11.1
135.00888	0.7
136.01706	1.8
147.00917	1.4
148.01688	1.5
156.22986	0.3
159.00899	0.4
160.01677	38.4
161.02049	1.2
163.00397	4.2
164.01155	0.4
171.00905	1.7
175.00374	0.6
176.01167	20.9
177.01576	0.3
188.01170	15.9
189.01776	0.9
190.99908	2.7
202.99890	2.8
204.00592	2.8
214.99866	1.7
216.00674	1.3
229.11940	0.4
230.99403	3.0
232.00073	2.4
242.08273	0.3
242.99374	3.4
258.98843	1.3
259.16565	0.3
259.99634	100.0
261.00131	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	261.0439
Annotation	CLONIXIN
Peak:m/z	Relative Intensity
59.01384	4.8
63.96235	1.0
69.03461	0.5
71.05015	0.4
72.99297	1.0
73.02950	7.1
78.33662	0.3
79.95741	38.3
80.91689	9.9
80.96523	16.5
83.05072	0.4
93.03494	0.4
94.86156	0.3
95.05034	0.9
96.96025	1.6
97.06598	0.4
106.04251	0.6
109.06625	0.8
110.03715	0.3
111.04524	0.9
125.09698	0.5
135.08183	0.7
137.09749	3.2
138.10159	0.3
144.94388	0.3
146.03769	0.6
149.06071	0.9
153.09196	0.5
161.02415	0.4
161.06126	0.7
164.04807	0.8
169.08774	0.4
172.99156	6.5
173.99817	0.6
174.06805	0.6
175.07658	0.6
181.08713	11.8
182.09029	0.3
187.09772	3.2
188.01532	5.6
188.04802	2.5
189.02167	1.3
189.05609	2.0
198.95967	0.3
199.13400	0.8
201.02248	0.7
201.09460	0.4
201.11342	3.3
202.03032	0.4
203.07217	0.7
204.07875	1.2
214.06268	0.5
217.05437	5.2
217.08669	4.5
218.05859	0.3
232.07359	0.6
236.62575	0.3
242.94853	3.5
243.03316	7.5
243.10162	0.9
243.12418	1.2
246.02005	0.8
260.96030	2.5
261.04391	100.0
261.11166	2.4
261.13495	6.0
262.04678	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
59.01382	3.5
67.99332	0.6
69.03459	3.7
69.41512	1.3
69.41908	2.6
79.55765	0.6
85.02951	4.5
93.03443	1.0
97.06593	9.9
98.22580	1.5
99.00885	3.4
101.02349	0.7
105.07093	1.1
109.02960	0.7
111.04488	2.0
113.02473	0.7
115.07658	1.0
117.01917	1.7
119.08688	0.8
121.02943	2.1
121.06516	0.7
122.03757	3.3
123.04518	4.6
133.06575	1.6
134.03729	1.8
135.04530	2.7
139.04022	1.1
144.05803	1.2
145.01442	7.3
145.03021	0.7
146.03764	8.7
147.04546	4.0
147.08199	3.3
148.05348	1.2
149.02425	2.7
149.06113	3.9
149.09750	1.6
156.60800	0.6
158.07413	0.8
159.04526	7.2
159.08151	1.4
160.05263	2.2
161.02397	1.3
161.06113	7.9
161.09715	2.9
162.03267	1.3
162.06758	1.2
163.04010	8.4
163.07693	3.7
164.04797	24.7
165.09134	1.6
171.04578	1.3
171.08147	1.5
172.05293	1.7
173.02489	1.1
173.06210	1.4
173.09703	1.5
174.03246	6.2
174.06866	8.1
175.02710	0.7
175.04027	4.0
175.07648	23.3
176.04759	2.0
176.08202	1.2
177.09294	0.9
185.06129	1.6
186.06850	7.1
187.04086	1.5
187.07642	2.5
188.04800	39.3
189.01990	0.9
189.05574	30.1
189.09244	2.3
190.06229	2.4
191.07123	1.0
191.10800	3.1
199.07695	2.8
199.11313	0.7
200.08516	1.5
201.05582	1.3
201.09192	2.6
202.06386	1.1
203.07158	18.3
204.07922	23.2
205.08629	3.2
213.05605	1.5
214.06372	18.0
215.10805	2.1
216.08031	1.1
217.08705	89.2
218.05818	1.0
218.09137	4.1
219.10217	4.4
225.09213	3.3
228.07793	1.0
232.05310	1.1
232.07408	7.6
233.11848	1.4
243.10271	25.6
244.10663	1.1
261.00369	1.5
261.11328	100.0
262.11627	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	261.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01385	6.8
64.20341	0.5
69.09456	2.9
71.01385	0.6
77.10203	0.5
80.96491	0.5
83.01399	0.8
85.02949	6.2
88.91490	0.4
93.03487	0.9
95.01409	0.5
95.05112	0.5
97.06607	4.2
98.22622	1.1
109.02980	3.3
121.02988	3.7
122.03758	5.3
123.04539	1.3
124.01648	1.1
125.09731	1.8
133.03000	1.4
134.03754	0.7
135.04553	2.8
136.05299	0.8
139.03998	1.2
145.02985	1.5
145.10202	1.7
146.03708	1.4
147.04541	4.0
147.08195	0.6
148.05315	3.7
149.02460	5.8
149.09708	3.0
150.03236	3.5
157.06561	0.6
157.10309	0.6
159.04536	2.0
159.68382	0.5
160.05408	0.7
161.02473	9.9
161.06102	2.3
162.03242	13.3
162.06891	1.0
163.04030	11.8
163.11339	1.0
164.04814	18.6
171.04431	0.6
172.05348	3.3
173.06102	0.8
173.09744	2.0
174.03265	1.9
174.06816	0.6
175.04021	6.3
175.07607	4.7
176.04703	1.1
176.08411	0.7
177.09203	1.3
185.06152	1.5
186.06870	1.1
187.04095	0.9
187.09798	1.2
187.11305	1.5
188.04785	3.7
188.08386	0.8
189.01965	0.7
189.05556	5.3
189.09236	2.1
189.12839	2.3
190.06294	0.7
191.10806	11.0
192.04353	4.0
199.07674	0.9
200.04849	0.9
200.08443	1.5
201.09232	13.7
202.06543	0.6
203.07201	3.9
204.04245	2.9
204.07916	10.3
205.08408	0.6
214.06393	1.5
215.10794	4.3
217.08731	14.8
217.12354	1.9
218.09514	7.8
219.10295	12.4
232.11082	0.8
233.11861	5.0
243.10275	7.1
261.00314	2.0
261.11346	100.0
262.11624	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	261.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.3
57.64140	0.6
59.01390	2.9
69.03457	3.7
69.45648	2.7
69.46063	1.2
71.01393	1.1
72.99317	0.7
85.02943	5.2
93.03465	1.1
95.08659	0.8
97.06591	8.7
98.22632	1.5
99.32275	0.7
109.02953	1.7
111.04523	2.0
119.08662	1.2
121.02989	2.9
122.03754	2.0
123.04526	4.6
124.01604	0.8
133.02953	1.4
134.03760	1.8
135.04543	1.6
139.03958	1.0
145.03036	1.0
146.03751	11.1
147.04565	4.4
147.05489	0.8
147.08206	2.5
148.05298	1.0
149.02457	3.3
149.06076	2.8
149.09789	1.4
158.07407	1.6
159.04518	7.4
159.08171	2.2
160.05296	2.9
161.02464	0.8
161.06075	10.1
161.09708	4.5
162.06870	1.2
163.04025	9.8
163.07643	4.0
164.04802	24.6
165.05130	0.9
165.09213	0.9
171.04527	1.2
171.08183	1.0
171.10339	1.4
172.05357	1.6
173.02435	1.6
173.06065	2.2
173.09787	1.7
174.03221	6.9
174.06880	11.1
175.04021	3.5
175.07649	23.6
176.04822	1.4
176.08012	0.9
176.86360	0.7
177.05490	0.9
185.06030	0.8
186.06853	8.6
187.03996	1.2
187.07620	2.6
187.09445	0.6
188.04803	44.8
189.05573	33.0
189.09184	4.2
190.06360	3.1
191.10863	3.0
197.11752	1.1
199.07652	3.1
200.08360	2.4
201.05586	1.1
201.09140	3.8
202.06386	1.3
203.05573	0.5
203.07137	19.4
204.07924	28.2
205.08588	3.9
210.41153	0.8
213.05582	2.2
214.06381	17.2
215.06842	1.1
215.10770	2.6
216.08003	1.4
217.08711	100.0
218.05907	1.0
218.09093	4.2
219.10303	5.4
225.09196	3.1
228.08003	0.8
232.07477	8.6
233.11778	2.1
243.10266	26.6
243.12393	1.8
244.10623	0.9
261.00333	2.1
261.11310	96.3
261.13403	3.6
262.05905	2.3
262.11710	4.2
269.81699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1344
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
59.01385	51.1
59.70719	0.9
69.34731	3.8
73.02955	100.0
79.95722	1.9
80.91685	5.6
98.22655	2.1
109.06581	1.8
125.09762	4.6
127.07625	0.9
151.00331	1.0
160.01616	1.3
161.02104	1.9
169.08698	3.8
181.12379	2.2
183.10323	1.4
187.09775	46.7
189.01732	1.2
199.13406	11.3
201.11340	49.6
202.11728	1.2
217.05096	1.4
217.08640	1.0
225.11359	0.9
242.94867	1.6
243.12364	15.1
246.20045	1.1
260.95944	1.6
261.00122	7.2
261.04294	9.1
261.13449	89.6
262.13876	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	263.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35144	0.9
61.95025	0.9
66.36042	0.9
69.48816	3.5
71.01394	15.2
82.36460	0.8
95.81341	0.9
103.05543	5.9
104.48865	1.0
104.66457	1.0
115.00397	7.0
143.83154	0.9
147.04535	100.0
147.10257	1.0
148.04910	1.5
172.24475	1.0
231.10178	1.3
263.02039	1.2
263.12738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
69.13242	5.7
71.01389	25.2
73.63251	0.8
94.31039	0.9
95.99392	1.0
98.21881	2.0
98.52194	0.9
101.02481	0.8
103.05550	3.2
107.49168	0.8
115.00396	7.9
124.22302	0.8
147.04541	100.0
148.04858	2.0
186.06839	1.3
187.07787	1.0
200.08391	1.7
215.10739	2.8
219.10213	0.9
233.73476	0.9
245.11942	1.8
263.12903	7.8
274.49069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1291
Annotation	CHEBI:69731
Peak:m/z	Relative Intensity
56.75158	1.1
57.03447	3.6
59.01384	1.8
69.40971	5.4
71.01392	5.7
71.05061	1.3
76.96860	1.2
79.05544	1.5
80.96545	5.3
83.05031	4.0
85.02976	1.1
93.03468	1.3
95.05036	1.9
97.02955	13.6
105.07124	5.5
107.05045	2.8
108.05830	8.4
109.02979	8.5
109.06614	3.8
110.03751	1.4
111.04528	16.4
111.08194	1.9
113.06091	10.8
119.08688	4.3
120.05766	1.1
121.06627	4.2
122.03762	14.9
123.04551	1.8
123.08167	11.1
124.05299	2.0
125.06105	36.5
125.09682	1.4
135.08194	4.5
136.05316	18.8
137.06116	8.9
137.09741	1.5
138.06873	22.7
139.07666	39.0
143.08838	1.0
148.05324	11.0
149.06177	5.2
151.07666	71.7
152.04834	8.6
152.08463	34.9
153.09238	27.5
159.11823	4.3
161.09698	7.8
163.07674	14.6
164.08275	1.8
167.07149	4.2
170.06044	1.1
171.08195	2.7
177.12891	1.2
185.09743	3.6
186.10486	4.0
188.08430	4.6
189.09250	8.4
201.12874	35.1
203.10805	29.2
204.11577	72.9
205.11929	3.5
219.13921	100.0
220.14238	3.3
230.46271	1.0
240.21399	1.0
245.11797	1.5
263.12796	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	263.1291
Annotation	Pterosin X
Peak:m/z	Relative Intensity
57.03456	1.2
59.01385	3.2
62.63580	0.6
63.72125	0.5
69.90356	1.8
71.01389	3.1
73.02946	1.3
75.83804	0.6
75.95680	0.5
83.01389	1.0
85.02959	2.2
89.02442	0.8
95.24040	0.5
97.06615	0.7
101.02448	2.6
107.05080	0.5
113.02417	0.6
121.02996	0.7
122.03770	0.6
123.08131	0.6
133.06613	2.9
135.08167	0.9
144.05858	0.9
147.04572	3.6
147.08148	1.4
148.05310	1.3
149.06047	0.7
151.07605	1.4
157.06604	2.1
158.07373	1.6
161.06093	5.7
162.06929	0.6
163.00407	1.4
163.04021	0.5
163.07655	1.8
172.05299	3.4
173.05946	0.7
173.09738	2.3
175.07674	1.7
177.05534	4.0
184.59415	0.6
185.06111	4.7
185.09695	1.6
186.06870	24.3
187.07657	14.9
189.03992	0.6
189.05534	2.6
189.09236	1.4
190.99821	1.1
191.10677	1.3
199.07584	0.7
200.08449	16.1
201.08865	1.2
201.12897	0.8
203.07158	0.8
203.10770	1.5
204.07838	2.7
210.05350	2.4
213.09227	1.7
215.10780	44.1
216.11079	1.9
218.99344	0.7
219.10391	3.2
219.13930	4.3
220.00128	1.5
221.11745	0.9
233.11821	4.9
234.09026	0.6
245.11847	27.4
246.12161	1.5
262.98395	1.4
263.12903	100.0
263.16202	3.1
264.13257	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	264.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
62.59336	0.5
65.00337	1.5
68.99831	0.6
71.01385	1.1
72.99323	0.9
78.01116	4.4
82.00610	4.1
82.02978	0.6
83.01401	2.4
86.00123	2.0
87.00869	0.8
94.03002	0.6
95.01388	1.5
96.99302	0.7
99.00911	0.5
106.00615	1.4
107.01412	4.0
109.02946	1.4
110.00098	3.1
111.00894	13.8
121.06604	0.7
123.00887	2.3
124.01673	100.0
125.02482	12.7
127.00386	6.4
129.79514	0.5
129.80479	0.5
130.06709	0.5
135.04532	1.3
136.98824	7.4
137.02444	3.8
138.03212	1.3
139.00383	13.6
140.01173	21.6
145.02992	1.1
147.00914	0.5
148.93478	0.5
151.00368	0.7
154.99915	1.3
158.06097	1.5
163.04004	4.5
164.01172	4.6
165.05545	1.7
168.00656	47.0
169.01439	26.6
169.02536	0.4
174.05602	0.8
175.04037	5.4
176.00748	0.8
184.04103	1.2
188.03418	0.7
190.05107	17.6
191.03531	0.6
191.05444	0.6
193.05063	11.9
202.05106	6.8
204.00322	0.9
220.06166	11.3
231.99664	0.7
234.04161	1.4
237.04134	1.0
246.04021	3.8
264.02618	1.8
264.05130	44.3
264.15759	0.6
265.03302	1.2
265.05527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0931
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
53.48167	0.6
55.01885	0.8
57.03456	3.4
58.00595	1.0
59.01383	55.0
61.52074	0.5
70.70144	0.5
71.01389	21.2
71.01789	1.1
72.99322	1.0
73.02940	1.0
77.19685	0.6
83.01381	1.1
85.02956	23.0
87.00888	1.2
89.02456	24.2
95.01394	1.7
98.39517	0.6
99.04576	0.9
101.02451	17.3
103.04022	36.1
113.02455	9.2
119.03517	11.6
121.02955	0.7
131.03508	0.9
134.04686	0.7
143.03474	0.8
145.05045	1.1
168.01534	1.4
173.03700	0.6
179.05615	1.8
265.09296	100.0
266.03116	1.3
266.09589	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1236
Annotation	Magnolol
Peak:m/z	Relative Intensity
53.87626	0.4
61.87502	0.3
65.00320	0.5
70.29581	0.4
70.98357	0.4
72.66769	0.3
72.91489	0.4
82.04595	0.4
83.02055	0.4
95.90664	0.3
96.96011	4.7
178.21594	0.4
189.06117	0.3
216.03632	0.4
223.07695	0.5
245.09740	5.8
246.10222	0.7
247.11279	15.4
248.11699	1.3
265.12344	100.0
265.14594	4.0
266.12692	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	265.1237
Annotation	Honokiol
Peak:m/z	Relative Intensity
59.01382	0.6
61.98838	0.5
65.03977	0.4
76.41602	0.3
93.03455	0.8
96.96008	1.4
119.05061	0.6
132.06966	0.3
133.06589	0.6
146.86670	0.4
159.08067	0.4
195.08134	0.7
196.08940	1.2
197.06088	2.3
205.10187	0.4
207.08118	0.4
209.06099	2.4
209.09561	0.4
221.13361	0.5
223.07655	19.5
224.08432	33.4
225.08781	1.3
235.07726	0.5
235.11508	0.4
237.09210	0.4
237.12869	0.7
247.11359	0.8
249.09204	7.9
249.11700	0.5
250.09969	6.9
265.12350	100.0
266.12701	6.0
283.91879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0898
Annotation	Adenosine
Peak:m/z	Relative Intensity
56.19587	0.1
56.37318	0.2
58.01724	0.1
58.51238	0.2
58.69560	0.1
62.93908	0.2
65.01440	0.2
67.55325	0.1
80.24503	0.2
92.02552	1.9
107.03651	6.1
127.79906	0.1
134.04744	100.0
135.05171	1.5
186.55951	0.1
192.59363	0.1
203.56090	0.1
207.70483	0.1
266.08957	8.7
267.09473	0.6
273.84702	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	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17846	0.3
57.86912	0.3
59.00512	0.3
59.01376	1.9
66.77505	0.3
69.45885	1.5
72.99305	3.4
75.00877	4.3
98.19642	0.4
98.21896	0.5
99.00887	1.7
105.01946	100.0
106.02287	0.8
117.01943	0.9
121.02959	1.8
131.89401	0.4
132.02173	0.5
133.02968	7.6
135.04543	5.4
141.89861	0.5
145.01437	5.2
161.02457	38.7
162.02827	0.9
179.03525	2.6
267.05161	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	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03447	0.8
59.01375	1.9
59.87191	0.5
66.29425	0.5
69.69018	1.9
72.99324	3.6
75.00881	4.0
77.84835	0.5
87.23143	0.5
94.73617	0.6
99.00889	14.5
101.02463	2.1
105.01945	100.0
106.02261	1.1
107.05045	0.7
117.01940	5.1
121.02975	15.0
133.02988	7.6
134.03720	0.6
135.04541	9.3
145.01447	31.9
161.02460	37.0
161.88348	0.6
162.02858	0.7
179.03503	3.1
207.63664	0.6
212.53513	0.6
267.05173	2.8
273.45300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11826	0.6
55.01871	2.6
55.03217	0.6
57.03451	3.2
59.01379	1.0
62.23976	0.6
69.30309	0.7
69.30605	3.2
71.01377	1.3
72.99307	3.5
73.02950	0.8
83.01407	3.9
83.34422	0.5
87.00888	0.9
96.96021	0.8
98.21905	1.2
99.00890	37.9
101.02443	5.9
116.99954	0.6
117.01958	13.8
121.02969	46.2
122.03316	1.3
123.04511	0.8
123.08212	1.2
145.01442	100.0
146.01779	1.3
164.04828	1.7
179.07074	1.2
205.05081	0.7
223.06128	0.9
267.05139	2.0
267.08801	1.2
267.12320	1.2
267.15540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0665
Annotation	Dorstegin
Peak:m/z	Relative Intensity
54.75194	2.3
57.82561	2.1
57.82840	2.5
59.01373	4.1
59.07178	2.1
60.98435	2.1
61.98835	2.6
65.32597	2.3
66.16450	2.0
71.40962	3.0
92.92825	4.6
121.02962	4.6
140.86456	2.5
197.06108	100.0
198.06409	3.0
199.41763	2.3
209.04521	4.0
223.07600	4.4
231.84618	2.6
249.26715	2.1
264.17691	2.8
267.06653	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.2
57.03445	4.3
57.32694	1.0
58.00603	1.5
59.01382	100.0
62.43592	1.2
69.03436	1.1
69.89988	1.2
71.01389	76.1
71.42918	1.1
72.99337	1.7
73.02946	22.4
75.00887	1.7
83.01396	8.7
85.02958	31.3
85.68303	1.2
87.00881	3.8
89.02451	35.1
95.01373	6.2
99.00885	4.7
101.02448	62.7
105.01950	1.6
105.05596	12.6
113.02460	30.3
119.03517	11.9
120.99663	6.2
125.02489	2.0
129.01956	1.3
143.03493	4.5
149.04543	1.2
159.02982	3.7
161.04570	34.1
163.34322	1.2
165.07722	1.2
170.01286	6.5
175.48004	1.1
179.05669	3.5
222.04555	1.3
267.07416	2.5
267.10876	34.1
268.11304	2.0
269.72241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.124
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.32449	0.6
54.48856	0.6
57.03457	3.4
59.01386	100.0
60.99319	0.7
70.47903	0.5
71.05027	2.4
71.41418	0.6
72.65249	0.6
73.02983	0.7
79.95762	2.2
83.05032	0.6
83.87484	0.6
87.00890	1.8
93.03489	1.4
136.61627	0.6
137.02513	1.9
161.09727	1.1
161.13403	2.6
163.11354	1.4
167.10869	0.7
187.11212	0.6
193.24298	0.6
207.10388	1.9
223.13414	35.0
224.13757	1.7
236.09703	1.4
267.12589	5.0
267.15887	4.3
268.06931	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53624	0.8
59.01378	3.9
67.44120	0.8
68.99805	1.0
70.62264	1.5
71.01400	1.4
71.08125	0.8
72.99329	1.3
76.62665	0.8
78.95913	2.5
81.03459	1.0
93.03463	1.4
95.01368	1.6
95.05067	1.0
96.99326	1.0
100.16282	0.9
103.00397	1.2
107.05050	1.2
108.02169	1.4
108.93768	1.4
109.02961	100.0
110.03275	2.0
117.03477	0.9
121.02957	5.7
122.03758	1.0
123.00904	2.6
123.04536	17.0
124.01664	3.0
125.02464	1.2
129.53160	0.9
135.04521	3.7
137.02411	1.2
140.01184	5.2
141.01994	1.6
145.02994	4.2
151.04074	7.7
162.03299	0.9
163.04057	5.5
166.99850	1.3
168.00661	22.7
169.01282	1.0
174.87782	0.9
179.03508	1.5
181.05080	31.6
181.71436	0.9
186.95624	2.9
194.99409	3.1
196.00105	4.5
196.96985	1.2
197.00929	3.3
207.03102	1.3
268.95535	1.4
269.02707	23.1
269.21240	4.1
269.24615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99980	1.1
55.01882	13.6
57.03459	8.3
59.01383	68.7
69.03468	1.4
69.07547	8.1
71.01387	100.0
72.99301	1.9
73.02952	44.3
75.00837	1.2
83.00924	1.7
83.01394	21.3
85.02957	53.7
87.00877	4.7
89.02457	4.4
95.01404	7.9
97.02995	1.1
98.22720	2.1
99.00885	14.3
101.02450	86.8
111.00856	1.4
113.02457	43.9
125.02516	1.4
129.01927	1.6
137.37347	1.1
140.97636	1.1
143.03520	1.5
149.99539	1.2
159.02988	6.2
159.92931	1.3
161.04572	23.7
187.33232	1.2
191.81519	1.1
193.98592	17.5
209.00891	4.8
216.77708	1.1
234.51331	1.0
241.03513	2.1
269.10376	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	269.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14793	1.2
57.31493	0.9
58.93420	1.0
65.01505	1.0
67.86002	1.0
69.11137	6.6
69.24480	1.0
95.01392	2.9
96.89388	1.0
100.55412	1.2
107.05099	1.1
109.03038	1.2
113.40738	1.2
121.02961	1.9
123.00915	6.1
123.04548	16.3
124.01705	1.2
125.02530	1.2
135.04539	33.7
139.00386	1.4
147.04524	20.3
148.05321	3.0
149.06104	3.6
161.06082	8.1
162.06909	5.7
165.05574	3.7
166.99870	2.6
175.03964	1.5
177.09196	4.7
179.07100	1.9
180.07948	100.0
181.08292	3.8
191.07182	1.9
192.07942	91.6
192.41293	1.1
193.08694	12.7
195.03050	3.2
195.06563	2.3
195.10292	33.9
207.10283	53.2
208.10594	2.3
209.04488	1.8
209.08287	1.2
210.07077	1.6
210.09010	27.8
219.03027	2.1
225.11348	65.4
226.11696	2.1
236.39426	1.0
239.09221	8.0
251.09314	5.5
269.04309	7.3
269.06815	4.5
269.10333	11.2
269.13617	2.1
269.21280	3.7
269.24570	1.3
270.10770	1.4
279.35660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1298
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01380	0.4
67.41814	0.4
85.36778	0.4
94.02988	0.5
96.07148	0.4
101.03939	0.4
120.04560	2.7
136.07643	0.7
138.77258	0.3
141.88664	0.4
152.01172	1.6
154.06361	0.5
154.48529	0.4
164.70184	0.4
165.92244	0.4
186.95587	1.2
198.12833	0.7
210.69559	0.4
211.08842	4.3
211.13416	1.1
213.10204	0.4
225.06786	0.8
225.10373	5.8
226.11076	1.4
226.12724	0.6
239.08278	4.2
240.08969	0.6
241.13487	4.2
251.11996	0.8
253.09827	3.2
254.10600	16.3
255.10928	0.6
269.04971	3.0
269.12964	100.0
269.21091	1.6
270.13315	5.6
272.26538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1762
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
55.01872	1.8
57.03436	3.3
59.01389	1.9
61.98812	1.3
65.00325	2.8
69.04174	1.5
71.05008	3.7
72.02193	2.1
73.02950	77.6
87.04522	100.0
92.63074	1.3
99.04512	4.8
107.01388	2.9
116.59543	1.5
117.03481	9.2
127.07710	2.1
136.98967	1.3
149.02434	4.4
151.00381	5.6
155.07187	12.4
158.90437	1.3
186.95612	4.8
189.16443	1.5
195.13966	1.8
201.87819	1.4
207.17557	8.3
209.15491	1.7
225.05594	1.7
225.14882	3.2
269.04565	52.9
269.14362	3.6
269.17590	76.4
269.21112	7.5
270.04999	3.7
270.17899	4.1
276.37564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40379	1.0
56.53772	1.3
57.88177	1.2
58.00573	1.8
59.01390	7.8
60.65062	1.1
62.90884	1.1
65.47501	1.1
68.81750	1.0
70.10860	1.0
72.99317	58.6
75.00879	1.1
75.46392	1.0
87.00873	5.5
93.03471	2.8
99.00890	7.1
103.00372	6.0
108.02202	1.4
109.02959	77.2
110.03269	1.6
121.02940	4.4
122.03740	4.1
123.00854	1.6
123.04536	100.0
124.01691	7.8
124.04859	1.9
125.02466	6.4
129.03522	1.3
135.04521	3.4
139.04010	2.3
145.02954	2.3
147.04585	5.3
149.02411	2.3
150.03214	1.2
151.04022	11.6
163.04045	8.0
165.05568	2.2
168.00674	3.8
169.01443	8.3
173.02327	1.3
179.03503	1.6
181.05086	49.1
189.01949	1.9
191.03499	12.9
195.03001	14.9
209.04620	6.2
211.02487	14.1
235.02478	3.1
243.89853	1.1
253.03561	14.0
271.04608	80.9
272.04929	3.9
273.42206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.10118	1.1
59.01386	10.0
66.17487	1.0
67.01862	1.1
69.78944	2.3
69.79301	2.0
70.20171	0.9
71.01414	1.7
71.56898	0.9
72.59777	0.9
72.99318	57.9
75.00877	1.1
78.95924	1.4
81.03401	1.1
83.06112	1.2
87.00885	7.9
90.06135	1.0
93.03477	1.4
95.05054	1.4
96.95995	2.0
96.96973	2.9
98.22739	1.0
99.00894	9.6
101.39822	0.9
103.00370	6.3
107.01397	1.8
108.02159	2.2
109.02969	77.9
110.03268	1.6
111.00887	1.9
121.02978	6.1
122.03753	3.9
123.00925	1.3
123.04543	99.3
123.98304	2.6
124.01687	14.0
124.04852	1.6
125.02471	10.3
131.08276	3.6
135.04497	3.0
136.98747	1.2
139.00414	2.1
140.01141	2.6
145.03015	1.9
145.83727	1.1
147.03519	1.0
147.04538	5.5
149.02461	3.1
151.00388	1.2
151.04027	11.3
153.05612	1.5
156.99376	1.4
162.90765	1.0
163.04024	5.4
165.05545	4.1
166.03079	1.4
168.00630	9.9
169.01439	10.8
173.02390	1.0
173.10419	3.1
179.03522	2.1
181.05083	49.8
182.05424	2.0
189.01938	2.4
191.03535	13.1
195.03009	15.4
209.04576	7.8
211.02502	34.4
212.03432	3.4
224.03510	1.4
235.02472	2.8
243.06543	1.2
253.03555	12.5
254.04619	18.0
271.04599	100.0
271.06964	3.8
272.04938	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29366	1.3
56.50728	1.0
57.03440	1.5
58.00602	10.0
59.01383	28.5
66.00352	1.2
69.03466	3.6
69.20950	3.5
69.21360	3.8
71.01379	1.5
72.99323	1.7
73.02946	3.9
81.03513	1.4
83.05019	3.7
84.02189	1.6
93.03461	1.5
95.05019	1.7
97.06600	15.7
98.21870	2.7
99.08135	1.8
109.06586	4.7
111.04530	1.7
111.08170	53.5
113.06083	12.7
119.91689	1.1
121.06596	5.4
124.01669	2.4
127.07672	6.7
135.08176	16.2
137.06131	7.1
137.09721	1.7
139.07654	19.4
141.05600	12.5
143.07126	3.9
155.07152	31.5
168.00595	1.7
173.08275	1.2
173.13358	8.8
191.14445	5.3
211.02473	5.8
241.05037	2.0
253.14449	7.8
256.07300	1.8
271.04498	3.2
271.15521	100.0
272.15817	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.26204	0.5
55.01883	0.8
59.01366	1.0
60.83097	0.6
70.83762	1.4
105.86380	0.6
109.68594	0.6
117.88485	0.6
123.81814	0.7
137.47778	0.5
142.20369	0.6
197.19089	1.0
200.83307	0.6
208.09943	0.6
223.20692	3.6
225.22270	54.7
226.22560	2.9
253.21675	0.8
271.22818	100.0
272.23068	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	272.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07772	0.2
59.01387	10.8
66.56586	0.2
69.07589	0.2
69.92976	0.4
69.93286	0.4
72.00934	0.5
73.02972	0.4
80.54374	0.2
84.08198	0.4
92.33708	0.3
115.52787	0.3
117.00468	1.6
119.09503	0.3
125.01025	0.3
126.98947	0.4
128.03566	0.3
128.07230	1.3
130.08754	100.0
131.09120	1.8
135.01204	0.2
149.78558	0.3
168.99908	1.6
169.01195	0.3
172.01015	0.8
172.97710	0.3
210.06270	0.5
212.07808	0.5
228.07312	2.5
230.06593	0.6
230.08850	8.8
246.10072	0.3
255.04892	1.2
272.09946	46.2
273.03986	0.3
273.10175	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0387
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
59.01379	0.8
69.03460	1.0
70.78120	0.9
71.01393	0.9
78.95912	92.6
79.84294	0.7
85.02966	3.4
87.00892	1.4
87.53061	0.6
93.03484	1.4
96.63013	0.6
96.96009	1.8
96.96970	6.6
98.99371	1.2
110.98545	57.5
116.10876	0.6
117.00451	0.9
125.00957	16.0
126.98896	14.2
127.02522	0.8
128.03548	1.0
130.88890	0.7
136.94025	1.3
141.00453	2.8
141.97594	1.4
145.06194	1.4
151.02505	1.9
154.90556	8.1
154.91766	4.8
157.03542	1.2
167.00079	0.6
167.01961	0.7
168.99948	48.0
169.03577	2.0
170.00171	2.2
183.01526	1.8
186.94412	0.9
191.05627	14.0
192.05884	0.7
195.01541	6.9
196.88000	0.7
196.89729	0.8
198.90553	9.6
211.00998	1.2
225.02600	1.3
230.87230	3.1
241.01247	15.2
242.04874	0.8
254.91653	0.8
255.00072	1.3
272.83884	3.7
272.86749	0.6
273.03900	100.0
274.04376	2.6
284.36859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65981	0.6
59.01385	55.1
66.33203	0.8
69.03460	0.8
69.19565	4.4
83.05035	3.1
85.77592	0.6
97.06628	0.7
109.06575	1.5
111.08181	1.3
119.08601	0.8
125.09746	5.8
135.08203	1.3
137.09731	23.9
153.09232	25.9
155.10797	14.5
171.10321	5.2
181.08704	7.2
185.11864	5.3
199.09767	5.7
213.11345	11.1
229.08582	0.8
229.10823	0.7
231.12386	100.0
232.12794	2.8
273.00476	0.9
273.07608	1.4
273.17075	0.7
273.20663	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.0
59.01387	18.5
69.03458	1.0
71.01390	12.3
71.05029	6.4
81.03458	1.3
83.05037	4.7
87.76546	0.5
93.03468	0.8
97.06639	0.8
99.08167	10.0
101.06095	1.4
109.06609	4.6
111.04522	1.6
111.08178	16.8
115.03995	0.8
123.04576	0.9
127.07684	2.8
129.09238	7.4
137.06088	2.8
139.00981	0.5
139.11308	2.6
155.07169	25.5
155.10768	0.6
157.12460	1.0
165.12877	2.5
167.03564	0.8
173.08191	3.7
181.12398	0.7
183.13962	0.6
193.16016	1.4
197.59227	0.6
200.04797	0.8
201.14987	4.9
224.44473	0.7
237.15004	6.3
255.16071	6.6
257.49564	0.6
258.05313	3.3
273.07697	4.9
273.17108	100.0
274.17383	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	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
69.03473	0.4
71.05007	0.3
81.03466	0.9
83.01390	3.7
83.05031	0.9
84.02177	2.5
97.02930	0.6
97.06609	0.7
109.71983	0.3
111.08187	0.4
123.08203	0.4
125.09736	4.6
127.11293	1.5
132.57617	0.3
147.11841	0.4
148.21721	0.2
153.09277	0.5
163.11319	1.6
165.12859	1.3
171.10298	4.4
173.09805	0.3
181.12422	0.4
182.13106	0.9
185.15462	0.4
191.10832	3.1
207.10338	0.5
209.11864	4.4
211.13467	0.7
213.14975	0.5
223.13391	1.3
226.12144	1.5
229.08711	0.4
231.15961	2.5
241.14519	2.0
243.16096	1.8
273.17102	100.0
274.17450	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	275.093
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
53.79350	0.4
59.01365	0.7
66.22570	0.4
69.47382	1.6
70.52513	0.4
85.02888	0.5
87.00880	1.4
98.21888	0.8
109.02937	0.7
112.47292	0.4
130.04269	0.8
133.02991	0.6
134.03702	0.9
135.04587	0.6
136.07700	0.9
138.05621	0.6
146.03745	1.7
147.04559	0.6
149.06088	0.8
151.07701	0.9
158.03735	3.3
159.04530	6.4
159.08150	0.9
161.06181	0.5
172.05315	16.6
173.06099	11.3
174.06815	2.0
175.07648	1.5
183.04497	0.8
184.05304	1.3
185.09721	0.9
187.04163	5.8
187.07666	100.0
188.08058	3.9
197.06105	1.1
198.06961	0.7
199.03854	0.5
200.04779	1.5
201.05609	10.7
202.06387	24.4
202.56543	0.5
203.06888	1.3
203.10751	3.2
203.15585	0.5
204.04199	0.7
212.73111	0.5
213.09238	10.1
215.07123	4.8
216.07907	1.6
229.08734	0.9
231.10287	28.0
232.10570	0.9
257.12872	0.5
261.15698	0.5
275.02039	0.9
275.09274	6.1
276.09659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0928
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
59.01369	0.8
69.03458	0.7
69.10778	2.3
69.34387	0.3
75.45695	0.3
85.02944	1.0
87.00866	0.9
88.12061	0.3
102.74584	0.3
109.02984	0.6
121.02937	0.4
130.04256	1.3
133.03000	0.6
134.03703	0.6
135.04536	0.6
146.03760	1.9
147.04559	0.4
148.05312	0.6
149.06047	1.0
151.07640	1.0
156.05815	0.4
158.03732	4.0
159.04527	8.2
159.08163	1.2
160.04900	0.5
172.05321	16.2
173.06087	11.8
174.03265	0.5
174.06876	3.3
175.07632	1.1
183.04530	1.7
184.05287	1.4
185.06032	0.6
185.09744	0.8
187.04141	6.9
187.07655	100.0
188.08025	3.9
195.08195	0.8
197.06126	1.0
198.06805	1.4
200.04768	1.1
201.05579	14.9
201.09319	0.6
202.06372	24.8
202.99960	0.4
203.06784	1.0
203.10805	2.4
204.04253	0.9
211.07634	0.4
212.08206	0.4
213.09218	12.8
214.09564	0.7
215.07127	3.8
216.07924	2.7
229.08699	0.7
231.10271	33.1
232.10611	1.7
234.55449	0.3
246.05556	0.4
257.08054	0.4
275.01941	0.8
275.06390	0.6
275.09305	9.8
276.09531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63900	0.4
57.03463	0.6
59.01385	0.5
60.18198	0.4
64.36376	0.4
69.20134	2.2
71.01394	0.6
72.99312	12.5
73.02951	9.6
75.00879	100.0
76.01221	0.8
98.21880	0.9
125.27668	0.4
155.14430	1.8
181.16046	0.5
183.17592	1.6
202.99837	0.5
207.31093	0.4
213.18669	1.3
257.17502	0.7
274.98499	0.7
275.18649	92.6
276.19034	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	276.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53869	22.8
56.42346	20.7
69.17959	100.0
89.00343	60.5
98.21955	36.2
118.79514	20.6
160.98842	45.7
182.55286	23.1
204.97878	26.4
206.59892	25.3
218.99142	27.9
232.97331	32.1
276.16129	30.0
276.96396	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	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19436	0.3
59.01404	0.8
69.33993	1.5
78.95941	1.6
79.95789	0.7
92.95975	0.4
96.96018	18.6
97.88822	0.3
115.53655	0.3
119.93792	0.3
134.96135	0.7
134.97073	11.9
135.97165	0.4
136.94020	100.0
137.94101	4.5
176.98108	3.9
178.95067	2.2
216.89641	72.1
217.89761	3.2
234.90736	21.9
235.90802	1.2
258.91632	0.5
276.88843	0.6
276.91766	1.1
276.98282	4.6
277.98444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85759	0.6
59.01371	1.7
70.99070	0.9
73.74400	0.6
77.54963	0.7
78.95899	1.3
87.00916	1.0
105.03492	0.8
106.04259	0.8
108.02182	1.0
115.92142	0.8
118.93897	0.6
121.02969	15.1
122.03751	100.0
123.04575	18.0
124.01683	2.6
125.02455	0.9
127.00169	1.2
132.02185	1.1
133.02985	0.9
136.01634	1.0
137.02440	4.5
146.03755	1.9
148.05292	1.7
149.02457	1.2
152.91783	2.6
154.02727	5.7
160.01624	1.3
161.02238	1.8
163.00230	0.8
163.02496	0.8
167.90479	0.7
177.01749	1.4
187.03741	3.4
188.01205	0.9
191.00264	5.0
191.02052	2.2
192.04309	1.7
194.92621	4.2
201.01668	2.5
202.99838	1.3
203.03262	2.4
205.01335	1.2
205.03558	2.9
215.03258	16.9
217.01202	78.8
218.01563	3.2
219.02730	5.4
223.03018	0.8
230.99263	0.9
233.01189	4.4
233.02983	1.1
258.98895	1.1
259.02237	1.1
259.11853	0.8
259.99643	6.0
277.00464	3.1
277.03293	42.2
277.12943	1.5
277.21786	1.8
278.03690	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	277.0356
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
57.03453	6.3
60.47171	0.3
63.02401	4.6
65.00323	3.4
67.01869	0.4
69.57701	0.7
69.58051	1.2
81.03464	1.1
83.01391	7.5
89.00338	0.4
93.03461	1.4
93.14619	0.3
95.01412	1.1
95.05042	1.9
96.96021	0.4
97.02956	2.8
107.01414	4.3
109.02969	0.6
111.00887	0.7
115.05559	1.2
117.03491	0.7
119.05047	2.6
121.02962	1.9
123.00874	1.3
123.04549	2.6
124.01702	0.5
125.02457	30.0
126.02796	0.6
131.05064	0.7
133.03036	0.6
133.06592	1.5
135.04535	1.5
137.02463	1.0
137.06107	1.4
139.03987	0.5
143.05035	1.5
145.02953	1.0
145.06566	0.4
146.03828	0.8
147.04555	4.0
149.02477	1.2
149.06062	0.3
151.00380	6.4
153.01959	1.1
158.03607	0.4
159.04535	3.3
161.02434	1.2
161.06104	3.2
163.04012	2.6
164.01205	0.4
165.01935	1.5
165.05589	1.7
167.03494	1.3
171.04541	1.6
173.02434	0.5
175.03989	1.3
177.01962	1.3
177.05566	2.7
178.99878	0.9
179.03503	0.4
187.04022	4.8
189.01874	0.5
189.05598	1.6
191.03534	2.0
203.03532	3.2
205.05084	4.1
215.03558	1.9
217.01425	0.8
221.04506	0.6
231.03014	2.0
233.00876	0.5
233.04564	2.4
249.04010	1.0
259.02463	2.9
277.03552	100.0
278.03864	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	277.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.97457	0.7
57.03455	0.7
57.21584	0.7
59.01385	100.0
62.32228	0.7
65.79905	0.8
69.55466	1.6
69.55853	1.8
71.01392	6.5
73.02957	3.6
83.01395	1.9
85.02947	3.5
87.00882	0.8
89.02509	1.0
98.21991	1.1
99.00903	1.7
101.02462	7.4
106.24508	0.7
113.02473	3.6
117.03453	2.6
132.02185	3.4
145.02943	0.9
145.92537	0.7
149.04477	0.8
160.01691	2.2
161.02434	2.2
161.04565	3.4
176.01164	1.5
188.01064	1.6
189.01978	2.7
194.85161	1.0
202.99768	1.0
205.01399	1.2
233.00952	5.4
234.01506	1.0
235.11903	10.8
258.98895	1.7
259.99686	8.1
276.99887	1.7
277.03540	3.2
277.07721	1.0
277.10547	4.3
277.16504	1.5
277.21722	0.8
278.00671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1663
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
56.77240	0.4
59.01383	2.7
60.95774	0.5
61.98878	2.1
67.05272	0.4
89.00337	2.3
92.99873	0.7
102.25191	0.5
103.02254	1.0
105.54755	0.4
116.99812	0.5
119.94742	0.5
121.03286	5.3
125.02525	0.5
126.30621	0.5
132.37289	0.5
134.89545	1.9
143.69470	0.5
146.99452	1.3
147.08485	4.9
149.01024	0.8
152.91788	1.4
160.98865	1.7
165.00459	12.9
166.00458	0.6
189.04141	1.8
191.05670	13.8
194.92848	1.4
204.97847	1.2
205.07266	1.7
217.07303	0.7
218.86748	1.3
228.66217	0.5
231.08817	1.9
232.97275	1.2
233.10353	100.0
234.10582	6.3
241.79323	1.3
259.15469	1.2
261.51157	0.5
276.96237	1.2
277.16583	91.8
278.16791	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	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.80082	0.3
59.01382	5.4
61.49052	0.3
64.60714	0.3
65.00314	0.4
86.20455	0.3
86.28643	0.3
87.32653	0.3
89.00351	1.7
92.99809	0.6
104.48925	0.3
116.99805	0.5
117.03523	0.5
121.02966	0.6
127.07662	0.6
160.98836	1.9
178.45338	0.3
188.44615	0.3
188.98264	0.6
189.01883	0.5
204.97800	1.1
205.01372	0.5
205.16022	1.3
232.97226	1.2
233.00874	0.8
233.19002	0.5
233.22849	0.5
259.20731	0.6
275.20386	0.4
276.96240	0.8
277.18253	7.4
277.21716	100.0
278.22046	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.06733	0.6
59.01381	1.3
64.71523	0.7
71.01429	0.7
74.59396	0.7
94.66737	0.6
98.21854	1.3
120.68885	0.6
153.88058	0.6
233.22707	1.5
258.70776	0.6
277.21738	100.0
278.22083	7.3
281.16467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47736	0.3
67.01905	0.4
70.98492	0.4
71.05029	0.6
80.02696	0.5
83.01407	0.4
87.95363	0.3
91.01930	0.5
92.02680	1.0
93.03454	0.9
94.00614	0.3
95.01379	0.5
99.04572	0.3
102.90379	0.3
104.02695	1.7
105.03497	0.7
106.04260	1.3
108.02180	3.9
109.02985	0.8
116.02699	0.6
119.01408	1.2
119.05050	1.1
120.02190	0.5
121.02973	1.5
122.03762	0.4
124.01685	0.6
125.02493	1.7
132.02185	18.7
134.03761	2.5
135.00882	1.0
136.01660	0.8
137.02448	1.4
145.02954	1.2
146.08246	2.5
147.00911	1.8
147.08577	0.8
148.01675	2.2
149.02454	1.5
151.00369	0.6
152.01183	0.9
159.00847	0.7
160.01671	25.0
161.02342	1.3
162.03189	0.4
163.00362	3.0
164.01154	0.5
165.01888	1.6
175.00343	1.0
176.01154	12.2
177.01830	0.4
178.02725	0.6
178.99849	0.9
187.00400	0.7
188.01169	9.2
189.01872	1.1
190.50877	0.4
190.99876	4.3
202.99817	1.5
204.00635	2.5
205.01393	0.6
206.02202	0.9
207.06615	2.7
214.99896	1.3
216.00591	1.7
217.01326	1.0
217.04977	0.7
217.11938	0.9
218.99362	7.9
219.99818	0.7
230.99374	2.1
232.00124	2.9
233.00914	1.5
234.01692	9.7
235.02222	0.5
235.06134	1.2
235.99580	0.4
242.99406	1.6
255.99524	0.4
258.98874	1.2
259.99625	100.0
261.00204	8.2
263.99194	0.3
267.78250	0.4
276.99948	0.4
277.12042	0.7
277.16534	1.1
277.21820	0.4
278.00687	9.2
279.05096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0513
Annotation	Diaportinic acid
Peak:m/z	Relative Intensity
50.03811	0.8
54.60108	0.9
57.03449	7.4
59.01389	4.6
63.02386	3.4
65.00318	8.3
67.01882	1.2
69.03455	1.0
71.01404	5.1
71.43266	1.1
73.02955	1.6
79.05534	1.7
81.03464	6.6
83.01398	11.3
83.05048	1.1
85.02969	1.3
87.00845	1.1
93.03468	8.4
95.01370	1.6
96.02161	4.0
96.96023	5.6
97.06600	2.5
101.02430	3.0
105.07082	1.5
107.01403	8.9
107.05050	5.3
109.01717	1.0
109.02959	12.6
111.00935	1.8
113.02473	1.7
119.05030	5.3
121.02962	4.2
121.06599	9.8
123.00903	2.2
123.04549	2.3
124.01674	12.3
125.02457	39.4
125.06081	3.1
129.07158	1.5
131.05017	3.4
133.02953	2.2
133.06404	1.0
135.04491	1.2
137.02469	8.1
145.06578	4.5
146.08282	1.2
147.04529	3.7
147.08214	2.4
149.02357	2.1
149.06093	8.8
151.00383	21.2
152.01166	48.9
153.01830	2.6
161.02089	1.4
161.04692	1.3
161.06079	1.4
163.04018	9.0
163.07666	12.5
164.01146	2.1
165.01944	51.9
169.01480	1.4
173.06097	8.2
174.03235	3.1
175.03922	2.2
177.01910	1.8
177.05612	1.0
178.99879	20.1
180.00682	5.4
189.01585	1.5
189.05603	12.6
191.03554	6.1
191.07228	6.8
191.98224	1.0
192.00452	1.1
199.11237	1.1
207.06639	100.0
208.06937	2.4
217.05087	47.8
217.12244	1.3
218.05385	1.7
220.00114	5.8
233.83333	1.1
235.06134	47.0
236.06288	1.7
244.06046	1.4
244.58961	1.0
251.85950	1.1
260.99973	8.0
279.01584	3.5
279.05103	42.4
279.08783	2.0
279.23279	9.4
280.05432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63434	1.1
69.60497	4.3
69.60844	1.6
71.01389	22.2
77.37314	1.1
84.21272	1.1
93.03511	1.3
98.22574	2.2
115.00381	15.2
119.05036	75.2
120.05372	2.3
133.01447	19.6
163.04022	100.0
164.04347	3.0
252.19876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41383	1.7
71.01394	17.7
71.90680	1.6
72.99319	3.5
81.88135	1.6
89.02467	2.8
115.00379	43.3
119.05040	43.4
133.01448	100.0
134.01813	2.0
163.04027	31.9
210.31001	1.5
285.16089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1088
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
57.03457	1.3
58.00618	1.4
59.01386	100.0
61.13165	1.3
69.05573	2.2
69.05978	8.4
71.01392	44.0
73.02956	1.4
73.75305	1.4
83.01414	1.9
85.02953	8.9
87.00908	1.6
89.02456	54.5
95.01404	4.1
95.04996	1.8
98.22610	3.9
99.04513	3.0
101.02467	27.2
107.05051	3.6
113.02458	18.3
116.07160	5.1
117.05594	6.2
119.03517	27.5
119.04954	1.8
121.02979	2.6
131.03528	2.3
132.02187	1.7
133.02544	4.0
135.04549	3.2
143.03493	1.6
161.02167	2.0
161.04558	1.6
163.04021	1.6
173.02501	2.8
177.01552	1.5
179.05547	2.7
189.01888	2.9
191.03456	4.1
217.01292	2.0
224.69106	1.7
235.02405	5.5
260.99954	15.7
279.01093	3.8
279.10928	33.0
279.13620	9.1
279.23291	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	279.1241
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
55.01883	1.2
59.01366	1.2
59.31623	0.8
65.00317	1.6
67.01904	1.3
68.99795	0.9
71.01389	1.4
72.99300	1.4
75.73637	0.8
78.01119	3.6
82.00592	2.7
83.01389	2.2
86.00098	1.6
87.00896	1.2
96.99307	1.2
99.00893	1.4
106.00598	1.1
110.00098	3.0
111.00903	16.6
123.00918	0.9
124.01669	71.4
125.02412	3.1
126.66540	0.8
127.00388	7.1
136.98816	9.5
138.03169	1.1
139.00385	16.6
140.01176	26.3
154.99866	1.4
155.46417	0.9
168.00656	54.1
169.01349	3.2
185.33479	1.0
203.14438	4.4
212.87497	0.9
235.13400	9.9
279.12402	100.0
279.15558	3.3
279.23203	1.5
280.12802	4.3
290.94257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
50.53930	0.9
57.03449	7.7
59.01371	2.7
63.64801	0.9
69.03455	5.6
69.35388	1.0
69.81866	3.5
72.25698	1.0
79.05515	2.1
81.03461	2.1
83.01426	1.1
83.05019	4.5
86.67857	1.0
93.03458	1.7
95.05035	2.1
95.46662	1.0
97.02957	9.8
97.06610	2.7
98.22614	1.2
99.04528	6.3
107.05049	2.4
109.02988	1.1
109.06551	3.6
111.04517	4.6
121.06586	5.9
123.04559	1.3
123.08161	4.1
125.06080	9.5
133.06537	1.3
135.04512	4.0
135.08241	2.2
136.05310	19.5
137.09726	4.1
139.07671	6.3
147.04539	1.1
147.08167	3.5
147.11794	2.3
149.05998	1.7
151.07660	100.0
151.11266	11.0
152.07988	3.7
152.14659	1.0
156.09407	2.9
158.07329	5.6
159.08116	2.0
161.06151	1.4
162.06847	2.2
165.09167	1.9
167.07159	5.3
168.07930	24.3
169.08717	9.6
171.08130	4.9
171.11819	7.3
172.08774	1.2
173.09723	7.4
175.11278	4.8
177.05548	2.2
177.09082	1.2
179.07172	6.1
179.10713	3.2
180.07936	1.7
184.08926	21.5
187.11299	14.1
189.09290	1.9
189.12906	9.3
191.10730	1.9
199.11296	14.5
201.09271	7.4
202.10020	6.7
205.10477	2.3
205.12352	39.0
206.12653	1.3
215.10716	6.3
217.12350	53.3
218.12604	2.9
235.09729	3.1
235.13463	10.3
261.11301	4.7
279.12357	20.6
279.23407	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	279.124
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
51.07723	1.0
52.27369	0.8
52.43221	1.0
56.19856	0.9
57.03448	1.8
59.01378	1.2
59.29543	0.9
60.75453	0.9
61.34408	0.9
69.03463	1.1
71.05024	2.5
78.39487	0.9
83.05054	1.8
88.54639	0.9
91.01861	1.0
95.05042	1.7
96.39760	0.9
96.96004	1.7
97.06562	1.4
98.21812	2.5
103.64426	0.9
107.05022	1.1
109.06625	1.0
111.08195	1.9
119.01411	1.6
120.93796	0.9
121.06601	3.5
123.08155	3.3
135.08192	1.7
163.00409	2.1
163.11354	2.0
173.13362	4.3
175.11267	3.0
189.12888	5.8
191.14381	5.1
193.58574	1.1
202.53828	0.9
217.12360	9.0
235.13406	100.0
236.11560	1.0
236.13712	5.7
250.12318	3.8
279.12393	52.8
279.23254	4.0
280.12714	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	279.1241
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
54.44075	1.4
55.71922	1.2
57.03461	13.4
59.01380	2.5
65.13339	1.4
66.23738	1.3
69.03431	1.5
71.01391	2.4
72.03915	1.2
73.02981	1.7
79.05531	1.7
83.05008	1.4
87.00874	7.6
90.98609	30.2
91.01909	1.9
95.05040	3.0
96.96013	1.4
97.02969	7.6
97.06590	2.5
98.22720	2.2
107.05039	1.7
107.94765	1.5
109.02970	6.5
109.06590	6.8
111.04519	4.7
111.08140	1.6
115.05939	1.3
119.08659	2.1
121.02943	2.3
121.06614	5.8
122.03757	16.2
123.04517	3.8
123.27571	1.2
124.01672	1.6
124.05314	19.5
125.02489	2.3
125.06059	3.1
129.07460	20.7
135.04536	3.5
135.08160	2.6
137.06084	11.0
139.07672	100.0
140.08008	2.7
145.10217	1.5
147.08519	22.9
149.06105	3.8
159.08160	1.8
163.00389	3.4
163.07561	1.7
163.11292	3.7
168.07936	23.0
169.01363	1.3
171.08168	3.1
173.06367	5.2
173.13292	3.6
175.07538	1.4
175.11249	3.2
177.09236	2.0
177.12888	1.5
179.00194	8.1
187.11314	21.2
189.05547	2.5
189.09177	2.8
189.12866	3.8
190.09990	4.0
191.07542	7.6
205.12358	35.5
206.12857	1.9
206.99419	1.4
217.09061	7.3
217.12302	14.3
228.80321	1.3
235.10011	2.5
235.13367	19.1
249.11229	2.7
261.07870	2.3
261.11279	1.8
279.03897	4.1
279.09155	6.7
279.12375	78.2
279.23196	4.0
280.12537	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	279.1451
Annotation	Hexane-1,5-diol 1-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	11.7
57.03459	8.6
58.00595	1.4
59.01383	89.1
71.01384	100.0
72.99313	4.2
73.02951	43.5
74.22484	1.0
75.00873	2.7
81.03470	1.1
83.01383	15.4
85.02956	52.8
86.00071	1.4
87.00878	6.0
89.02446	20.2
95.01382	7.0
97.02956	3.8
99.00887	16.8
101.02449	96.4
111.00867	2.7
113.02462	43.6
117.09246	4.4
119.03530	7.7
121.02942	1.3
125.02458	3.0
129.01938	2.1
131.03554	1.4
133.02943	1.5
135.04544	4.1
143.03502	4.3
147.04552	1.7
159.03004	10.6
161.02429	3.4
161.04564	44.2
169.01434	2.2
175.04256	1.4
179.03511	2.4
191.03516	3.3
205.01521	1.3
219.02980	1.3
261.00009	2.2
279.05457	2.2
279.14471	19.0
279.23312	9.2
281.29861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01381	0.8
67.82674	0.2
70.77068	0.3
70.77403	0.4
91.01908	0.3
98.22752	0.3
163.00404	0.6
178.22083	0.3
261.22296	0.6
279.23315	100.0
280.23645	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	281.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25911	0.4
59.01384	1.0
69.74946	0.5
69.75297	1.1
73.02962	0.5
75.00887	1.0
89.02428	0.5
93.03458	0.5
96.96027	0.5
103.05567	0.6
105.07122	0.5
106.04301	0.7
108.02164	2.4
109.02968	1.2
117.01948	0.8
119.03560	0.8
119.05040	8.5
119.93501	0.4
121.06623	1.6
122.03790	1.8
123.04539	1.1
130.04247	0.8
131.05051	2.3
134.03748	0.6
135.03023	4.3
135.04520	0.7
147.04529	2.3
148.05333	6.6
149.06094	100.0
150.06436	2.9
152.01190	0.8
161.02472	0.9
163.04024	13.5
165.05557	0.5
173.73438	0.3
175.04007	2.8
179.03502	0.6
193.05072	50.8
194.05446	1.7
209.04614	0.5
237.04065	41.1
238.04402	2.1
263.01846	0.4
281.00290	0.3
281.03064	7.0
281.06470	0.7
281.24911	0.6
282.03391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
59.01383	0.7
71.01381	1.5
73.02953	1.0
75.35282	0.4
80.12656	0.4
81.32805	0.5
88.88786	0.4
89.11554	0.4
94.10184	0.6
95.66151	0.4
99.00914	0.7
101.02458	5.8
119.03512	100.0
120.03870	1.3
121.16372	0.5
128.11734	0.5
133.02969	13.8
134.03760	1.3
135.04538	16.0
161.02457	56.8
162.02811	1.9
179.03510	10.5
191.03490	0.8
223.90750	0.4
262.76529	0.5
265.42670	0.5
281.06686	1.8
281.14047	0.5
281.25055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51559	0.5
59.01368	2.5
64.20686	0.5
71.01398	2.0
71.40282	0.5
72.99323	1.1
73.02949	5.5
74.90245	0.5
75.00877	4.1
87.00880	7.7
89.02460	0.8
93.03463	1.8
96.95958	0.9
99.00988	0.6
101.02490	0.7
108.02158	1.0
109.02986	1.1
117.01960	11.9
119.05039	63.7
120.05371	1.2
121.06615	1.0
131.05035	1.0
131.50591	0.5
135.03015	12.5
135.04555	1.1
141.05632	0.6
145.02962	1.1
147.04520	1.1
148.05296	3.1
149.06097	40.7
150.06429	1.5
161.02516	1.1
163.04025	100.0
164.04343	3.0
175.03969	0.8
193.05077	20.9
237.00505	0.7
237.04053	16.9
281.02905	4.0
281.06888	1.4
281.24854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1187
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
59.01372	0.8
59.03303	0.6
62.82929	0.5
65.65138	0.4
68.68174	0.5
91.05553	1.9
93.03481	0.8
119.05022	3.4
133.06613	6.6
135.04506	2.3
137.02463	2.2
137.09680	0.7
137.42677	0.5
145.03003	0.5
147.04536	1.9
148.05293	0.9
155.10773	0.6
163.04007	6.3
164.04803	70.4
165.05432	3.3
196.08963	0.7
228.78668	0.5
240.07846	1.6
263.20200	0.9
281.11841	100.0
281.20966	2.3
282.12201	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	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.3
57.01495	0.4
57.03451	6.1
58.00603	1.3
59.01382	100.0
60.01714	0.9
60.38446	0.5
69.03478	1.1
69.73247	1.6
70.43658	0.4
70.59153	0.4
71.01386	88.3
71.05025	1.1
72.01710	0.8
72.99322	1.6
73.02949	26.0
75.00892	1.6
81.03471	0.8
83.01389	12.2
83.05041	2.4
85.02956	36.4
87.00890	4.4
87.04504	0.6
89.02451	39.1
95.01389	6.5
97.02987	2.2
99.00890	8.4
101.02450	77.9
101.06113	1.8
102.02802	0.8
111.00883	1.0
113.02459	40.2
119.03510	17.4
119.07147	10.5
125.02470	2.2
129.01924	1.5
131.03519	1.8
131.45465	0.5
136.45596	0.5
138.06651	0.4
143.03499	5.2
149.04585	0.8
154.62190	0.4
155.45869	0.5
159.03001	7.5
161.04568	53.1
162.04907	1.4
179.05609	2.6
281.12439	47.1
282.12674	1.8
300.96329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05321	1.9
59.01385	100.0
63.75198	1.8
69.85549	1.7
71.05021	3.3
73.02953	3.3
81.03480	3.4
87.00892	21.5
87.50156	1.8
95.05045	4.2
107.05043	3.4
109.22760	1.7
113.06120	2.0
120.05789	2.5
121.06641	3.8
159.11766	3.5
161.09741	31.2
161.13370	7.9
164.04762	1.9
172.08983	3.1
185.09688	2.2
187.11292	67.4
188.11668	3.1
189.09242	6.6
205.12320	4.0
219.13914	18.3
221.11946	2.8
267.12427	2.7
281.14026	5.8
281.25015	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	281.1397
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
56.24552	1.5
59.01382	100.0
71.05020	6.0
73.02952	5.1
81.03474	2.4
87.00887	24.8
95.04964	2.0
99.04534	1.7
107.05042	2.8
120.05805	5.7
121.06629	3.0
125.52689	1.7
133.10141	1.8
135.04536	2.8
146.07504	2.2
157.06779	1.8
159.11780	3.9
161.09726	37.2
161.13332	4.8
170.07413	2.0
185.99242	1.9
187.11284	71.2
188.11502	4.2
189.09247	9.9
205.12335	5.6
215.80054	1.6
219.13940	19.6
221.11729	2.2
267.12296	2.8
278.34882	1.7
281.10815	2.0
281.13965	6.0
281.24802	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	281.2488
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
71.67304	0.7
96.21301	0.7
98.21825	1.8
164.98412	1.0
178.13037	0.7
201.65082	0.8
237.99451	1.1
281.24890	100.0
282.25275	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	282.0848
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01383	1.2
66.00971	0.4
70.85185	0.4
71.01391	0.3
78.00999	0.3
78.95952	0.3
82.04118	0.8
84.87073	0.2
84.91031	0.2
87.00874	0.4
98.99411	0.4
101.00976	0.2
101.02482	0.3
107.03653	3.7
108.02050	9.7
126.03114	5.1
133.01582	33.8
134.01979	0.3
141.00481	0.6
150.04230	100.0
151.04660	1.4
152.44478	0.2
163.00443	0.3
164.05875	0.3
201.02528	1.2
266.06339	0.2
268.03790	2.6
282.08459	29.7
283.01596	0.4
283.06015	0.7
283.08850	1.2
283.26404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08770	0.6
57.03455	1.5
58.00597	1.5
59.01385	100.0
71.01390	54.0
72.99324	1.4
73.02972	1.3
73.16618	0.6
85.02971	3.4
89.02454	70.5
89.19564	0.6
90.02787	0.9
91.90730	0.6
93.47570	0.7
96.96031	2.1
97.06644	1.0
101.02457	4.7
107.05084	2.6
107.42599	0.6
108.02280	0.6
109.06618	0.6
110.00143	1.2
113.02491	3.9
119.03550	1.8
121.06654	1.0
123.00920	2.3
123.04566	0.8
131.03519	4.6
137.02426	0.7
138.03273	1.3
149.04596	2.9
151.04082	2.3
163.00420	1.8
163.07762	0.8
198.03627	0.6
239.03632	0.7
240.04861	0.7
268.03812	10.0
269.04218	0.7
283.08524	12.9
283.12000	4.0
283.15228	7.2
283.26419	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01382	0.8
60.17270	0.3
61.07085	0.3
65.00327	0.3
68.79255	0.3
70.50319	0.7
95.01384	0.5
106.04245	0.7
107.05037	100.0
108.05383	1.6
110.00092	0.4
123.04551	0.8
138.78008	0.3
147.08229	0.3
151.00343	0.3
163.00383	1.0
163.11301	94.5
164.11615	3.4
268.03799	4.3
283.06546	1.5
283.17047	80.8
283.22525	1.9
283.26352	2.3
284.17392	5.9
284.22940	0.4
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
56.07860	0.3
57.10363	0.3
59.01379	3.0
61.98825	1.8
69.06441	2.7
91.38287	0.3
98.00993	0.8
98.22593	1.0
99.55901	0.4
99.98914	4.0
139.94241	1.1
140.02063	0.7
141.00385	0.4
141.93958	0.7
141.99974	100.0
143.00089	4.5
160.62308	0.4
181.95302	0.4
184.01028	32.6
185.01221	1.6
195.30833	0.4
199.98993	0.8
202.02721	1.7
212.81705	0.4
223.99159	0.6
242.00087	1.6
268.03839	0.5
269.04114	1.9
279.94641	0.4
283.26471	4.4
284.01154	38.8
284.26755	1.5
285.01294	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	285.0407
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.05998	0.2
63.02399	1.1
65.00327	3.1
69.10178	1.4
69.10567	0.5
70.38432	0.2
70.79848	0.2
83.01389	1.9
93.03458	0.3
105.03474	0.8
107.01399	4.8
115.01939	0.2
119.05053	0.3
121.02965	1.1
132.02138	0.4
133.02969	28.5
134.03322	0.9
143.05046	0.4
147.04509	0.9
149.02455	4.0
151.00381	9.6
152.00790	0.3
157.03021	0.2
169.06671	0.4
171.04514	0.7
173.06113	0.4
175.03998	5.6
176.04320	0.3
177.01912	0.3
178.10034	1.4
185.06093	0.4
189.05629	0.3
197.06061	0.5
198.03259	0.9
199.04036	4.2
201.01964	1.7
211.03925	0.3
212.04813	0.4
213.05566	0.9
215.03572	0.7
215.10843	0.3
217.05075	2.5
218.05359	0.2
223.04051	0.5
229.05034	0.5
239.03673	0.2
241.05034	1.5
243.03020	1.1
257.04709	1.1
259.12955	0.3
267.02951	0.5
267.10043	0.9
268.03806	0.2
285.04071	100.0
286.04398	6.3
303.89990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.062
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
50.76226	0.4
55.46797	0.3
58.23680	0.3
59.01386	0.6
60.30434	0.4
64.60742	0.4
69.38588	1.7
71.01392	0.7
73.02956	0.4
76.19221	0.3
78.95917	0.4
81.03473	1.3
82.53760	0.4
87.00884	0.6
93.03465	0.4
96.04567	0.9
98.21930	0.7
100.04076	0.5
101.00510	0.4
108.02188	100.0
109.02979	34.3
110.03316	0.7
111.00937	0.4
121.02943	0.7
122.03749	0.5
123.04514	0.8
126.98861	0.5
128.03564	1.2
133.01413	0.6
133.02977	0.9
133.61441	0.4
135.00903	0.6
151.04066	1.5
152.01173	60.3
153.01961	43.5
153.03262	1.0
154.02310	1.2
163.04077	1.1
165.01970	1.2
168.01569	0.6
170.04552	1.0
172.31870	0.4
246.20303	0.4
285.06195	61.9
286.06531	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	285.0618
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
57.57658	0.4
63.36561	0.4
69.30429	2.6
81.03429	0.7
100.87939	0.4
108.02186	100.0
109.02995	20.9
110.03314	0.5
121.02975	0.6
125.02464	1.0
133.02994	1.2
134.03726	0.6
135.00874	0.7
151.04028	1.2
152.01172	64.5
153.01964	34.5
153.02904	0.4
154.02272	1.0
163.04024	1.8
165.01956	1.4
175.03993	0.7
197.12489	0.4
217.05103	0.5
241.05063	0.8
285.06244	57.3
286.06555	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	285.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	0.6
90.37346	0.3
98.21859	1.1
108.02184	100.0
109.02988	14.6
121.02975	0.7
123.04543	0.6
135.00922	0.4
151.04042	1.4
152.01167	62.9
153.01956	30.2
154.02316	0.6
163.04034	1.4
165.01942	1.0
183.72635	0.3
202.10681	0.4
285.06183	55.2
286.06519	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	285.0771
Annotation	Claussequinone
Peak:m/z	Relative Intensity
56.41461	0.9
57.63020	0.8
59.01374	2.1
70.41595	1.6
76.09995	0.8
78.99398	0.8
83.05029	1.0
88.36591	0.7
98.22512	0.9
111.89079	0.8
121.02966	100.0
122.03277	2.0
174.99202	1.2
199.04132	0.8
202.98764	3.2
285.03946	2.7
285.07227	1.4
285.20721	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	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.50307	0.3
68.83689	0.4
70.02984	0.7
74.06116	2.1
89.40423	0.5
117.07106	3.9
118.05106	0.8
123.84702	0.4
152.80067	0.4
210.51788	0.5
230.99451	0.4
240.23366	3.0
242.21271	1.3
242.24977	0.5
268.22867	1.3
286.23898	100.0
286.98367	1.3
287.16599	2.5
287.24255	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	287.0565
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
53.13727	2.0
54.50987	2.0
57.03444	10.1
59.01379	5.5
65.00311	2.3
69.03459	4.4
77.03960	2.8
79.95744	35.9
80.96530	9.7
83.01394	23.1
85.02975	2.2
93.03461	9.7
95.01381	3.2
97.02947	4.6
107.01424	4.2
107.05043	4.9
108.02184	6.8
109.02961	41.3
119.05016	6.0
120.99649	5.9
121.02967	28.8
123.00877	2.1
123.04522	2.2
124.01693	17.0
125.02468	70.7
131.05038	4.9
133.02980	4.9
135.04535	12.9
136.01700	3.5
136.99146	13.8
137.02461	97.3
137.03519	4.7
137.50148	2.6
143.05118	2.7
144.05736	2.4
145.06587	5.0
146.03778	3.5
147.04570	11.8
148.05286	8.0
149.02451	38.1
149.06082	7.8
150.03244	19.5
151.04034	10.4
153.01994	2.7
155.05031	4.0
157.06659	4.2
158.03752	7.3
159.04544	33.2
161.02455	22.2
162.03285	5.4
162.83368	2.1
163.04022	7.5
164.01176	11.6
164.98665	23.8
165.01907	28.7
171.04514	6.0
172.05293	16.2
173.02434	2.7
173.06044	25.2
174.03249	9.9
175.04022	62.4
176.04637	4.6
177.02042	11.8
177.05568	11.9
182.03729	3.3
183.04523	10.6
187.07594	2.5
189.05614	17.3
191.07159	7.9
196.05389	4.2
197.06104	7.5
199.04034	9.1
199.07622	3.5
200.04793	7.0
201.01961	3.5
201.05595	59.8
203.03545	23.3
213.05765	4.7
214.06419	2.5
215.03569	4.0
215.07169	18.2
217.05099	22.0
219.06631	26.4
225.05637	16.2
227.03461	5.4
241.05124	13.3
243.02985	5.0
243.06625	23.3
244.03647	2.3
245.04561	12.5
258.05380	11.7
259.06131	78.0
260.06354	2.5
269.04584	16.3
287.02719	6.7
287.05630	100.0
287.14990	9.6
287.17944	2.8
288.06149	5.1
309.89743	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	287.2232
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01366	1.0
69.18649	1.8
69.19050	0.8
104.26308	0.4
111.08110	0.4
112.68295	0.4
113.09733	2.3
117.07110	0.5
123.08208	0.4
125.09718	0.5
127.11313	2.5
141.12910	0.7
143.10715	0.7
147.11172	0.4
151.31573	0.3
178.31143	0.4
187.00436	0.5
213.15038	0.6
237.90506	0.4
239.20174	1.0
241.21754	1.5
242.99361	0.4
245.14151	0.5
254.74080	0.4
269.21179	2.3
285.20734	1.3
286.98505	2.0
287.22305	100.0
288.22650	7.2
302.55896	0.4
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
59.01383	8.9
68.87291	0.3
82.06650	0.7
84.08176	0.5
88.04052	0.4
90.97160	1.2
130.08749	100.0
131.09045	2.0
132.98233	2.2
141.98253	0.9
142.96649	0.8
153.16141	0.3
160.97728	1.0
172.97673	0.5
174.99249	1.3
184.97729	1.1
187.98785	0.6
202.98766	1.0
212.38205	0.3
213.92751	0.3
216.74184	0.3
228.01720	0.3
244.05013	3.9
246.06601	2.9
288.07687	58.3
289.00067	0.3
289.08014	2.1
300.66220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1608
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.50385	0.3
64.05162	0.3
68.32915	0.3
68.87375	0.3
70.33826	0.7
77.31811	0.4
80.05038	0.3
81.03460	2.2
92.05080	1.1
93.03481	1.9
93.39918	0.4
108.02182	0.6
108.04577	5.2
109.02964	5.5
121.02947	0.6
124.01701	0.4
131.00778	0.3
134.02499	39.6
135.03302	9.0
136.04062	39.4
136.04837	0.7
136.05132	0.7
137.02490	1.7
137.04385	1.2
148.04030	0.6
149.04857	1.9
176.03551	5.3
177.04330	1.0
190.05119	0.6
204.06532	0.4
218.22556	0.4
236.74002	0.3
260.16397	0.4
288.16080	100.0
289.16394	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	289.0721
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.39835	0.6
56.60436	0.5
57.03266	0.5
57.03452	4.7
69.03448	1.8
69.22788	3.2
80.02692	1.0
80.03149	0.6
81.03474	5.1
83.01393	5.9
85.40200	0.6
93.03446	2.7
95.01408	0.9
95.05034	7.1
96.02159	0.6
97.02956	12.3
100.20237	0.6
100.89315	0.6
108.02148	1.4
109.02963	47.1
110.03239	0.7
121.02938	5.6
122.03745	3.2
123.04535	33.9
125.02456	27.5
133.06566	0.7
135.04521	3.5
137.02454	15.2
138.03217	2.4
139.04039	6.7
145.02005	0.6
145.02931	3.3
146.03699	1.6
147.04538	1.0
149.02432	7.0
150.03189	2.9
151.04027	15.9
151.05234	1.1
159.04539	5.1
160.05293	2.8
161.02480	1.6
161.06090	8.4
162.03239	2.7
163.04019	2.1
164.01183	6.5
165.01930	7.4
167.03540	3.0
173.06075	1.4
174.03271	1.2
174.06906	0.7
175.04044	3.2
175.07585	3.5
177.05527	1.0
179.03514	11.3
185.06082	1.4
186.06917	0.8
187.04018	7.6
188.04814	6.0
199.07623	1.3
201.05600	1.0
202.06339	2.6
203.07141	22.6
205.05074	15.9
205.06995	0.9
217.43614	0.7
221.08200	7.4
227.07169	4.5
229.05074	0.8
230.05811	1.2
231.03032	1.1
245.08189	31.0
246.08647	1.3
247.06133	1.5
271.06079	1.7
289.07193	100.0
289.28793	0.6
290.07565	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	289.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.0
60.55561	0.7
69.03464	1.6
76.46543	0.7
79.27625	0.7
81.03458	7.4
82.06097	0.8
83.01382	4.9
93.03474	3.4
95.01388	0.9
95.05040	8.3
97.02966	12.6
99.04538	1.1
108.02219	1.4
109.02961	46.6
110.03299	1.2
117.03477	1.1
120.86368	0.6
121.02972	5.5
122.03753	3.4
123.04535	34.1
125.02457	28.0
125.03211	0.6
135.04533	3.3
137.02463	14.8
138.03215	2.0
139.04044	6.9
145.02951	2.2
146.03699	2.0
149.02446	7.6
150.03261	1.7
151.04027	14.5
157.06592	1.2
159.04543	5.1
160.05312	3.0
161.02443	2.3
161.06097	8.5
162.03249	2.7
163.04007	3.0
164.01166	4.7
165.01945	6.9
167.03465	2.0
173.06053	2.3
174.03171	1.0
175.04050	3.1
175.07623	4.3
177.05603	1.3
177.16692	0.7
179.03526	10.3
181.99155	0.7
184.05235	0.7
185.06114	1.7
187.04022	7.5
188.04791	6.7
189.01907	0.9
199.07677	1.6
199.49515	0.7
199.60776	0.8
201.05571	1.8
202.06354	3.6
203.07166	21.4
204.07401	0.8
205.03268	1.0
205.05080	13.5
212.04761	0.8
217.01534	1.5
217.08656	1.1
221.08209	7.3
227.07140	3.1
230.05827	1.4
231.03072	0.9
245.00977	1.7
245.08214	36.2
246.08597	1.3
247.06096	1.6
271.06082	1.9
274.23956	0.8
289.07205	100.0
290.07581	4.9
310.40527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1085
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
51.61064	0.4
65.03954	1.6
70.73866	0.5
79.05525	0.6
81.56284	0.5
84.91405	0.5
109.02860	0.4
122.03700	0.9
123.04551	0.7
135.04520	1.7
143.08667	0.6
146.03761	4.1
147.04500	2.0
158.03688	0.6
159.04543	7.9
161.02435	1.1
167.08612	0.5
169.06555	0.8
170.07439	0.5
172.05336	4.0
173.06084	2.9
175.04144	0.7
180.05856	0.8
181.06606	0.5
183.04530	2.1
184.05307	3.9
185.06033	1.8
186.06752	1.0
187.04015	3.3
187.07642	3.2
188.04698	0.8
195.08211	1.1
196.05334	2.9
197.06091	42.2
198.06834	7.5
199.07420	0.7
200.04761	0.9
201.05548	5.2
201.09244	4.6
202.09654	0.6
205.01442	2.6
209.06180	0.7
210.06734	0.4
211.07669	7.0
212.08333	1.5
213.09224	100.0
214.09547	5.7
215.07188	3.2
215.10796	2.0
220.03728	1.7
229.08691	3.5
230.09421	3.2
245.04738	0.7
245.11848	28.8
246.12157	1.6
289.10855	18.0
290.11234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01173	1.2
50.50687	1.3
51.69221	1.1
55.01879	9.2
57.03459	7.6
59.01083	2.0
59.01386	48.0
71.01388	100.0
71.05029	2.0
72.99301	1.9
73.02956	36.2
75.00861	1.6
80.56428	1.3
80.69530	1.3
83.01392	15.2
85.02958	50.3
87.00894	2.2
89.02460	6.8
95.01395	8.0
97.02958	2.0
99.00894	17.7
101.02452	63.2
113.02464	42.2
119.03551	1.4
125.02463	3.0
127.11320	8.0
129.01955	2.2
143.03535	2.0
159.03021	6.5
159.04201	1.3
161.04588	16.5
189.01833	1.5
201.05594	4.0
229.08762	1.8
245.00987	2.2
245.11841	3.4
247.15469	2.8
289.07965	1.6
289.10919	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	289.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00928	1.1
55.01879	9.8
57.03464	7.6
59.01385	48.2
59.81659	1.0
66.47076	1.0
69.03461	1.4
69.25228	6.3
71.01388	100.0
71.05052	1.2
72.32537	1.1
72.99314	1.9
73.02953	39.4
73.03368	2.0
75.00870	2.5
83.01395	19.0
85.02961	49.8
87.00873	3.1
88.88638	0.9
89.00365	1.2
89.02444	6.8
95.01405	6.9
96.96015	1.6
97.02940	2.2
99.00898	21.2
99.01536	1.6
101.02451	59.1
113.02466	38.5
113.03267	1.9
124.39977	1.1
124.55649	1.1
125.02456	1.5
126.68846	1.1
127.11290	5.1
137.45596	1.3
143.03520	1.7
145.01448	7.1
145.02879	1.1
155.75056	1.1
159.03004	5.8
161.04578	16.9
188.98193	1.9
209.90561	1.0
216.97870	1.6
217.01488	1.3
233.67049	1.1
245.00954	3.3
260.01669	1.3
289.17075	1.2
289.17886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1814
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.63460	0.8
59.01400	4.2
61.98844	1.2
70.36215	2.0
80.02705	1.4
86.28052	0.8
98.21957	1.0
106.04263	1.7
109.06600	10.9
111.08174	3.1
111.45078	0.8
123.08147	1.7
137.09740	2.0
143.10797	2.4
145.06621	3.5
149.09750	2.0
167.10774	2.0
168.13852	1.1
179.10794	2.1
239.90756	0.9
245.19185	7.2
271.17047	2.2
287.16595	3.7
289.18137	100.0
290.18359	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53631	1.3
91.05572	0.4
93.56083	0.3
94.19066	0.3
96.01476	0.3
98.22655	0.6
103.05547	0.5
105.03477	1.5
107.05065	0.4
117.03485	0.4
119.05038	3.0
121.02912	0.6
123.32374	0.3
123.79658	0.4
129.67001	0.3
130.04196	0.4
131.05019	1.0
133.02956	0.7
135.04506	1.3
136.17732	0.3
145.02982	2.4
147.04541	6.3
149.02361	0.3
158.03738	0.7
159.04552	1.5
161.02457	0.9
163.03990	2.6
173.02443	3.8
174.03113	0.6
175.04024	14.0
176.01125	0.5
176.04323	0.4
177.05542	1.2
179.83388	0.3
190.02748	2.4
191.03514	13.2
192.00623	0.4
201.01993	0.8
203.03537	8.5
205.01555	0.3
218.02234	0.7
219.02988	5.6
221.04570	1.5
247.02493	100.0
248.02821	4.7
270.39929	0.3
291.01498	11.7
292.01804	0.8
292.07077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.015
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
52.34854	0.3
60.04998	0.2
65.21787	0.2
70.97148	0.3
83.01355	0.3
93.64012	0.2
93.93288	0.2
95.01393	0.3
101.49634	0.2
103.05536	0.3
107.05016	0.6
109.02993	0.3
117.03502	0.3
119.05054	1.6
121.02946	0.3
124.10033	0.2
128.87051	0.2
131.05052	0.6
133.02977	0.5
135.04572	1.3
137.02460	0.2
145.02969	3.2
147.04539	4.4
159.04558	0.6
161.02522	0.3
163.04005	2.9
170.01620	0.2
173.02461	4.5
174.03259	0.9
175.04013	2.8
176.01173	0.4
177.01884	0.3
189.01802	0.4
190.02762	3.6
191.03523	15.6
192.00722	0.3
192.03908	0.6
201.01968	0.9
201.08342	0.3
203.03586	1.5
204.00821	0.3
205.01451	0.5
217.01460	0.4
218.02232	0.6
219.02989	5.5
220.03496	0.4
226.13582	0.3
229.01355	0.4
246.01666	0.6
247.02498	100.0
248.02826	4.9
291.01492	10.3
291.07852	0.9
292.01883	0.4
292.07059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34169	0.2
57.03451	11.3
59.01371	0.3
63.02399	0.7
65.00333	3.6
65.03979	0.3
67.01898	0.5
68.99815	0.2
71.01376	0.2
74.00769	0.2
79.95737	0.2
81.03463	1.4
82.02993	0.3
83.01394	4.1
83.05020	0.4
85.02967	0.7
90.09003	0.2
93.03501	0.9
94.47477	0.2
95.01396	0.8
95.05067	0.3
96.96033	0.6
99.10518	0.2
103.05461	0.2
107.01406	3.7
107.05037	0.7
109.02958	4.3
111.00900	0.4
111.04539	2.1
117.03461	0.2
119.05057	0.8
121.02956	1.0
123.00860	0.6
123.04546	3.6
124.01666	0.6
125.02460	100.0
126.02799	1.9
127.04032	0.5
131.05028	0.5
133.02956	0.3
133.06612	2.1
135.04533	0.7
137.02437	2.1
139.04007	1.6
145.03000	0.9
147.04555	1.4
149.02396	0.4
149.06059	0.4
151.00383	8.5
151.03970	1.0
152.01100	0.2
153.01965	1.7
155.03548	0.3
159.04564	1.1
161.02454	0.5
161.06088	0.8
163.00374	0.3
163.04016	1.5
163.07700	0.4
165.01941	4.7
166.02682	1.5
167.03517	6.4
169.01416	0.3
173.02495	1.0
175.04030	2.2
177.01967	0.5
177.05530	0.6
177.41844	0.2
178.99902	1.7
181.01427	1.1
181.05025	0.3
183.04509	0.3
185.06033	0.2
187.04138	0.4
189.01944	0.5
189.05554	0.3
190.02695	1.3
191.03525	4.6
193.01460	0.6
195.03003	6.5
196.03334	0.3
201.01959	0.4
201.05559	0.3
203.03481	1.2
204.04330	0.3
205.01392	0.2
205.05075	0.8
207.03008	0.9
211.04088	0.2
217.01447	0.6
217.04955	0.4
218.02129	0.2
219.03017	2.1
227.03543	0.3
229.05128	0.7
230.02214	0.3
243.02899	0.2
245.04565	1.1
247.02496	27.2
248.02875	1.4
255.03082	0.4
273.04071	2.6
290.55301	0.2
291.01489	3.4
291.05121	13.8
292.05490	0.7
313.96100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1085
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01870	2.0
57.03453	1.4
59.01382	34.2
70.36559	1.6
71.01388	27.8
72.99316	0.9
73.02951	6.9
75.00896	0.6
83.01402	3.1
84.54116	0.6
85.02950	9.6
86.00096	0.7
87.00884	1.0
87.25240	0.7
89.02446	14.6
89.54556	0.7
95.01399	1.5
99.00882	2.2
101.02448	19.0
107.05027	0.6
111.04521	4.4
113.02446	11.3
117.03457	0.8
117.90282	0.6
119.03511	5.6
119.05044	1.8
120.99628	1.0
125.02460	1.3
129.05585	3.5
135.04503	1.4
143.03539	1.0
145.02966	3.1
147.04552	4.9
147.06604	1.2
149.02415	0.7
159.03123	1.6
159.04524	0.9
161.02437	0.8
161.04599	6.7
163.04031	3.2
169.01402	0.9
173.02446	4.5
175.04045	3.0
179.05722	1.0
190.02728	3.9
191.03514	14.8
191.05278	0.9
192.00664	0.8
203.03477	2.3
218.02245	0.9
219.03018	7.1
234.99229	1.6
241.96826	0.7
247.02486	100.0
247.11876	3.3
248.02861	5.4
291.01474	9.4
291.04193	0.6
291.10873	10.7
292.06985	6.3
292.11111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01707	1.2
69.40363	4.2
69.40767	1.8
71.01373	5.8
72.99283	1.2
73.02948	3.5
83.01383	2.0
85.02956	4.8
85.84657	1.0
97.06583	1.3
101.02446	5.7
113.02453	2.2
121.02961	1.8
122.03690	1.3
126.83287	1.3
136.66324	1.0
145.02948	2.0
146.03748	9.7
147.04512	3.9
147.84993	1.1
151.99721	1.1
159.04556	1.4
161.04613	2.5
163.04039	1.3
163.07704	1.3
171.10318	1.4
172.05275	4.7
173.02333	2.1
173.05948	1.6
174.03259	2.3
175.04039	2.8
175.07672	22.5
186.06898	2.6
190.02708	2.2
190.06334	1.4
191.03516	7.8
200.04787	6.5
201.09290	5.3
203.07152	5.3
217.10777	1.5
219.02966	2.7
219.10316	5.8
229.08733	15.9
245.55771	1.2
247.02496	56.0
247.09726	6.6
248.02797	3.5
249.13414	8.2
273.07706	7.9
291.01514	5.2
291.08609	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	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21988	1.2
55.21996	1.0
59.01386	100.0
60.01722	1.3
60.99726	1.2
67.24799	1.1
71.01374	5.3
72.99311	1.1
73.02953	2.3
85.02945	3.7
92.60593	1.4
96.80104	1.3
99.00879	1.4
101.02454	5.5
113.02448	2.3
119.05005	1.9
121.02979	1.6
123.04522	1.3
124.01708	1.3
146.03748	15.2
147.04521	3.9
155.10840	1.4
157.06567	1.2
161.02403	1.1
163.04138	1.2
163.07700	2.4
169.01453	2.1
171.10297	1.3
172.05318	5.3
173.02403	2.5
174.03241	4.9
175.04007	4.2
175.07668	30.6
176.07947	1.8
186.06848	2.8
190.02672	1.7
190.06410	1.7
191.03488	8.2
191.10799	1.5
200.04802	7.8
201.09235	6.7
203.07170	5.1
204.07784	1.3
217.10826	1.2
219.03056	2.8
219.10310	6.0
229.08720	23.6
230.09030	1.3
247.02510	57.9
247.09683	11.5
248.02864	3.6
249.13425	10.3
273.07675	12.0
274.08072	1.5
291.01465	6.8
291.08710	7.1
291.14502	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75987	0.5
56.26521	0.6
57.03439	1.6
59.01389	3.3
68.18736	0.4
70.66096	0.6
70.66446	0.8
83.05029	0.9
94.48615	0.5
95.05051	1.1
109.06561	0.7
111.08171	13.7
113.09709	0.7
118.51250	0.6
137.09749	1.1
149.09709	0.5
152.62090	0.6
167.10805	3.1
176.83540	0.6
177.12854	2.4
179.10794	1.6
195.13940	8.5
196.14227	0.6
211.59441	0.5
247.02391	1.3
247.20775	2.5
273.18570	1.4
291.19678	100.0
292.19962	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78076	0.4
57.03459	2.0
66.09425	0.5
77.74320	0.5
93.07098	1.1
97.06581	1.4
111.08186	1.4
113.09592	0.4
121.10247	12.5
122.10606	0.4
123.08164	1.4
125.09737	7.0
141.12895	1.2
147.08165	0.6
163.11314	0.5
165.12936	0.4
185.11842	13.1
186.12122	0.5
195.13957	0.9
197.11812	3.6
209.11864	1.7
211.13400	1.7
223.13324	1.0
247.02518	3.2
247.13432	0.8
247.20647	1.1
273.18637	2.2
291.19675	100.0
292.19998	7.1
304.27890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.63107	0.2
59.01365	0.7
70.58183	0.3
70.58524	0.2
79.14342	0.2
80.02663	0.4
95.05045	0.3
97.06585	0.4
119.04971	0.4
125.06095	0.6
130.03337	0.2
130.08734	0.3
130.22533	0.3
141.09233	0.3
147.08156	0.3
148.08951	1.5
149.09706	0.4
150.10493	0.9
151.11237	0.6
155.11182	0.2
163.11296	1.0
165.12846	21.6
166.13162	1.1
175.11295	0.6
176.12048	0.6
177.12877	0.5
185.11905	0.5
191.03448	0.5
191.14421	0.8
209.04538	0.3
218.99460	0.3
223.94810	0.3
229.19669	0.4
245.18906	0.3
247.02454	3.9
247.20685	10.9
248.02771	0.3
248.21036	0.8
273.15738	0.5
273.18616	6.9
274.19095	0.6
291.19666	100.0
292.16656	0.4
292.20010	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58504	0.5
57.03437	0.7
59.01383	2.6
67.73463	0.5
69.62639	0.5
70.75564	0.8
71.05029	17.5
72.05363	0.6
83.05013	1.0
86.91700	0.6
94.04160	0.6
97.06605	7.0
99.45689	0.6
114.50265	0.6
119.08662	2.1
121.10254	5.9
123.08154	1.0
125.09739	3.0
133.06560	0.6
139.11267	0.6
139.37132	0.5
141.12875	1.3
147.08099	0.7
171.10301	1.2
175.14851	0.7
179.93817	0.6
181.12308	1.5
185.11815	6.2
191.03490	0.8
193.16193	0.7
196.84682	0.5
197.11858	1.2
207.13864	2.7
209.11850	0.7
211.13348	0.8
214.49788	0.7
219.13954	3.2
222.70567	0.6
229.19594	1.0
235.17055	2.7
247.02489	2.3
247.20633	3.0
250.20003	0.6
273.18683	2.8
283.67252	0.7
291.01758	0.8
291.19687	100.0
292.19983	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28452	0.9
57.03445	2.8
59.01396	5.0
70.98750	1.3
81.30297	1.0
88.90631	1.1
95.05047	1.3
95.58335	0.9
98.37868	1.0
111.08160	15.1
113.09741	1.3
116.23074	1.0
119.05006	1.5
121.02980	2.2
135.97340	0.9
145.02936	1.1
147.04485	1.2
167.10822	2.6
173.02454	1.0
175.04065	1.9
177.12814	2.4
179.10739	1.5
190.02676	0.8
191.03468	4.9
195.13919	10.0
219.02966	2.3
234.60461	0.9
247.02486	38.1
247.20674	3.7
248.02841	2.9
273.18652	2.4
290.98062	1.3
291.01462	3.3
291.19669	100.0
292.20032	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	293.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47433	0.6
52.16918	0.7
57.03443	0.9
59.01371	1.8
60.07926	0.8
65.00333	0.9
71.43772	0.8
72.99310	2.2
73.02952	12.0
85.02957	79.5
86.03295	0.8
97.06583	0.7
99.00889	4.2
103.04035	4.1
109.02964	1.6
110.29176	0.6
117.01975	7.1
119.05037	42.1
120.05352	1.3
121.02998	0.7
129.01955	67.9
130.02290	1.4
133.02945	1.5
134.03758	10.7
134.67630	0.7
135.04527	2.5
136.01651	1.2
137.02390	1.4
147.03011	100.0
148.03416	1.7
151.04008	2.3
159.15289	0.7
163.04024	25.8
177.01859	0.9
178.02748	2.1
231.10278	1.6
249.03032	1.1
264.96313	0.8
271.68536	0.6
275.09256	1.4
293.10324	4.1
293.13712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01394	3.1
64.09663	0.5
65.00326	0.7
66.74960	0.5
69.03449	0.6
69.07256	0.5
69.28068	2.1
69.28476	1.3
71.01383	10.5
72.99312	6.5
73.68964	0.5
81.66044	0.5
87.00892	4.2
95.01416	1.3
96.96065	0.7
97.06578	1.2
98.91865	0.5
115.00404	2.9
117.03481	24.4
118.03830	0.6
119.05040	6.9
121.02965	2.7
123.00911	1.0
123.04528	1.4
124.01676	2.3
125.02509	3.0
125.17024	0.5
129.01952	0.7
131.34811	0.5
133.02974	2.0
134.03760	20.5
135.04552	6.3
136.01692	0.7
137.02484	1.1
140.01138	0.6
145.02966	100.0
146.03304	3.2
147.03015	7.1
151.04021	2.2
163.04015	3.5
169.01471	3.2
173.06090	0.8
177.01976	1.9
178.02739	6.4
179.03482	2.0
194.81448	0.6
231.10283	1.3
249.03004	0.9
261.03891	0.7
275.09412	1.4
293.04523	4.3
293.10062	4.8
293.13513	1.0
293.55154	1.8
294.10300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35929	0.9
57.03450	0.8
59.01379	1.5
72.99318	2.3
73.02953	10.1
85.02961	81.0
86.03302	1.6
99.00906	4.8
103.04001	3.9
109.03001	1.1
117.01978	7.6
119.05044	47.1
120.05370	0.9
129.01962	71.3
130.02290	1.3
134.03761	12.2
135.04539	2.6
136.01659	1.2
147.03018	100.0
148.03340	1.6
149.02406	0.9
151.04030	2.2
163.04033	23.9
177.02029	1.3
178.02731	1.7
275.09299	1.3
293.10370	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	293.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39687	0.4
54.17819	0.3
55.55709	0.4
59.01377	1.2
59.56176	0.4
61.98838	0.4
71.01393	0.5
72.67889	0.3
97.25415	0.4
109.06570	2.1
121.02968	100.0
122.03291	2.6
127.07665	44.5
128.08009	1.3
171.06648	17.0
172.07022	0.8
230.61552	0.4
291.03650	0.4
293.10397	3.5
293.13385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38096	0.2
52.85127	0.2
54.51862	0.2
64.40117	0.2
70.48492	0.5
71.01387	7.9
111.58918	0.2
121.67041	0.2
127.07606	0.3
148.05304	1.1
149.06100	0.3
164.08408	1.2
177.09219	5.5
192.11574	6.2
193.12148	0.4
205.12347	7.6
206.12759	0.3
217.08704	0.7
218.09456	2.1
220.14697	48.4
221.15466	100.0
222.15817	5.6
236.10548	67.1
237.10982	3.8
293.17596	7.5
293.20889	0.4
294.17770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60150	1.3
59.01377	1.5
61.98833	9.3
65.00340	1.4
69.16682	1.3
70.91782	1.8
76.23558	1.4
87.14108	1.2
92.92816	3.1
96.96013	4.4
113.09737	2.4
119.94722	1.7
124.55923	1.3
136.08948	2.7
152.91678	1.4
164.15094	1.5
176.98206	1.7
191.18100	1.6
192.11668	1.6
193.15987	5.8
205.12338	1.7
218.86681	1.4
219.12421	1.3
220.14703	9.3
221.15508	20.8
222.15762	1.4
236.10544	14.9
244.31107	1.2
249.22304	1.5
286.23352	1.2
293.17874	8.9
293.21234	100.0
294.21588	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71362	2.7
54.33254	3.1
59.01387	5.1
61.98843	14.8
65.00311	3.5
67.82357	2.7
71.01379	6.3
79.94997	2.8
92.92786	3.9
96.96031	8.3
113.09779	4.3
119.94693	4.1
121.08546	3.1
135.11819	7.9
136.08948	10.1
143.97861	3.5
152.91724	5.1
157.08716	20.8
167.14459	3.9
170.41656	2.9
177.09148	3.0
177.62688	2.7
183.63730	3.1
192.11595	7.7
193.16005	27.7
195.13919	4.5
220.14706	16.5
221.15486	42.2
229.02867	3.1
233.15448	4.5
234.85841	3.4
236.10577	22.4
237.11293	3.1
238.69958	2.9
249.18634	48.5
275.20175	53.8
276.20334	3.7
293.17636	31.1
293.21231	100.0
294.21371	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	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
54.13741	1.2
59.01389	3.2
64.41728	1.3
66.36752	1.2
71.01416	1.6
98.21803	3.1
108.50017	1.5
112.49784	1.5
121.09360	2.9
121.10247	54.7
122.10567	2.8
171.10292	91.3
172.10625	2.4
177.16576	1.9
183.13828	3.2
185.11855	4.9
231.21199	6.8
249.19685	1.3
249.22319	1.5
275.20178	100.0
276.20605	7.9
293.21262	73.8
294.21573	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	293.2126
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.58175	0.6
56.52779	0.6
59.01369	1.2
70.33769	0.7
70.34080	0.8
71.04977	0.6
82.58126	0.6
91.60706	0.6
93.03432	0.6
108.03767	0.6
111.08145	0.7
117.67136	0.6
118.88218	0.6
153.03896	0.6
167.10843	0.8
179.14464	1.0
195.13931	14.7
196.14688	4.3
205.12297	1.1
211.13390	0.7
223.13399	11.8
224.14081	2.0
256.13220	4.4
275.20206	9.8
276.20117	0.7
293.21255	100.0
294.21545	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25343	0.5
57.03458	5.5
59.01396	2.6
62.44336	0.5
68.99813	0.6
69.12762	3.7
71.01380	1.8
71.12623	0.5
72.26226	0.5
97.06597	1.2
100.64633	0.5
109.06547	0.7
113.09735	21.1
139.11278	2.0
149.09669	1.1
164.07417	0.6
167.10780	1.8
177.09163	1.0
177.12778	1.0
179.10765	2.3
192.11592	1.0
195.13867	3.2
205.12325	1.7
220.14690	9.1
221.15468	19.7
222.15709	1.0
236.10535	13.6
237.10902	1.3
249.22258	2.0
251.12810	0.6
275.20193	1.1
293.21231	100.0
294.21539	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.6
65.00333	2.1
68.99820	1.3
71.01385	3.3
92.57597	1.2
96.96030	1.8
136.08932	3.7
139.11275	1.6
146.90018	1.4
151.11234	1.5
169.12323	3.3
177.09219	2.0
181.28581	1.3
192.11588	3.2
193.15994	10.6
197.11847	33.9
198.12215	1.8
205.12273	1.5
210.91422	1.6
220.14720	12.1
221.15469	24.6
222.15750	2.3
231.21077	2.0
236.10576	19.6
249.18568	2.4
275.20142	19.3
293.17770	8.9
293.21219	100.0
294.21588	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14827	0.5
57.03448	5.8
59.01394	3.0
59.01626	0.4
69.88725	0.9
69.89071	1.2
71.05019	1.3
75.21320	0.6
75.98383	0.5
85.06605	0.7
97.06625	1.0
110.80552	0.5
113.09737	19.1
134.26538	0.5
139.11305	1.9
153.13959	0.5
167.10800	3.3
177.12881	0.7
179.10777	2.0
195.13890	3.0
220.14890	0.5
221.15491	1.1
223.17039	1.3
231.21147	0.6
235.17036	7.9
236.10696	0.8
236.17426	0.9
249.22224	2.1
275.20221	7.0
276.20435	0.5
293.08994	4.4
293.21262	100.0
294.09088	0.7
294.21579	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29904	0.5
57.03446	4.8
59.01378	2.7
65.72784	0.5
75.46832	0.5
84.72568	0.5
97.06615	1.1
106.83672	0.5
109.06638	0.6
113.09734	14.8
114.10114	0.5
121.10264	2.5
125.09705	1.1
135.90338	0.5
139.11299	1.3
146.39279	0.5
149.09746	0.7
167.10780	2.4
171.10294	5.4
177.12869	1.2
179.10782	2.1
185.11856	2.3
195.13919	2.7
197.11714	0.5
220.78345	0.6
221.15508	0.8
238.53487	0.5
249.22202	1.5
253.58411	0.6
266.31876	0.5
275.20206	5.9
293.21252	100.0
294.21594	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
57.64834	0.4
59.01315	0.4
63.21532	0.4
78.76189	0.5
93.03456	0.4
97.06606	0.7
123.08176	1.0
123.99571	0.4
125.09712	4.6
141.12859	1.3
149.09727	1.8
156.90593	0.4
163.11192	0.4
185.11847	9.6
186.91060	0.4
197.11818	2.8
220.14699	0.9
221.15439	2.0
236.10571	0.9
249.22256	0.9
275.20154	0.6
293.21249	100.0
294.21552	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41232	0.5
57.03438	2.0
59.01413	0.7
61.98823	2.1
70.55098	0.5
71.60224	0.5
73.40520	0.5
83.05037	0.6
92.92822	1.1
95.78560	0.5
96.96002	1.1
97.06575	0.7
119.94703	1.2
123.08166	0.8
125.09740	3.7
141.12868	1.3
149.09752	1.5
150.20769	0.6
185.11838	9.0
192.11571	1.1
193.16023	1.7
197.11852	2.4
220.14771	3.4
221.15460	6.2
234.85915	0.9
236.10588	3.4
249.18553	0.6
249.22298	1.0
293.21252	100.0
294.21594	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	295.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46383	12.8
59.01389	100.0
61.21565	12.2
69.57320	47.2
71.01385	86.7
77.77351	13.5
78.95884	13.6
85.02970	22.4
87.00893	19.2
89.02464	42.0
96.96024	39.8
101.02465	24.9
103.00399	18.2
115.00315	14.8
115.04062	18.2
119.05042	62.1
122.03755	44.5
124.01658	25.4
125.02467	36.9
126.98870	22.3
131.02034	22.7
133.05096	17.2
135.04520	37.8
143.03526	17.5
149.02489	24.8
156.99866	65.1
163.04005	98.2
169.01422	38.3
179.03549	19.5
191.03607	14.9
193.01479	27.2
205.12318	14.3
207.03151	18.4
221.04611	18.5
223.02557	18.0
223.06119	14.4
226.98883	16.4
234.98445	42.7
268.99380	33.4
294.97110	50.1
295.00403	29.4
295.04520	42.8
295.10422	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
57.70127	0.8
59.01373	2.1
69.57346	3.1
71.01387	17.6
72.99312	3.3
73.74373	0.7
74.38478	0.8
89.02463	1.9
96.96023	0.9
98.22569	1.5
110.69842	0.8
115.00385	39.5
119.05028	1.3
133.01448	100.0
134.01784	1.8
135.04536	13.2
161.02498	1.2
163.04024	1.6
179.03500	13.6
191.25850	0.9
220.92619	0.8
229.01299	0.9
234.98460	0.9
289.93835	0.8
297.43555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25446	0.7
69.38307	3.1
71.01389	15.4
72.99321	2.6
89.02461	2.1
97.18060	0.6
115.00389	41.9
121.02399	0.7
123.24693	0.6
133.01450	100.0
134.01823	1.2
134.03769	1.2
135.04544	15.4
141.03635	0.6
179.03537	11.6
193.41148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
51.08517	1.1
59.01394	5.4
63.47696	1.0
69.25588	2.1
69.25999	4.7
71.01389	15.1
72.99326	2.0
87.00900	1.3
89.02433	2.4
98.21951	2.1
101.02350	1.2
107.37759	1.0
112.58902	1.2
115.00387	42.7
120.09624	0.9
125.02443	7.4
133.01448	100.0
134.01811	1.5
134.04704	2.2
135.04538	15.8
149.02611	1.0
161.02518	1.3
163.03993	2.1
165.09187	3.1
169.01431	3.9
177.01929	1.5
179.03522	14.5
180.03943	1.4
207.03006	2.2
223.29225	1.2
225.42099	1.1
233.00916	2.2
251.12903	3.3
259.99640	5.8
278.00555	2.6
282.78806	1.1
295.04776	2.3
295.11853	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	295.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19413	0.7
53.54442	0.6
71.01385	18.7
72.99306	4.1
82.99756	0.6
87.00875	0.8
89.02438	2.1
115.00385	51.2
116.00723	0.9
116.64979	0.7
133.01448	100.0
134.01775	1.7
134.03764	0.8
135.03514	1.0
135.04535	14.6
169.66524	0.8
179.03534	10.1
229.83749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0826
Annotation	Phellodenol F
Peak:m/z	Relative Intensity
50.75496	0.4
51.81046	0.3
57.03447	4.5
58.91503	0.4
59.01379	0.4
59.05003	0.8
64.75748	0.5
66.30620	0.5
69.03452	1.0
69.36030	1.9
71.01387	0.8
85.02956	2.0
87.04519	21.9
88.04861	0.6
97.02983	0.4
98.21812	0.5
103.55712	0.4
104.85776	0.4
111.51778	0.4
115.00381	1.4
115.04037	0.9
130.67609	0.4
132.02174	1.2
133.01414	1.8
133.02974	22.1
133.05075	88.3
134.03363	0.6
134.05421	1.7
135.04533	13.2
161.02452	100.0
162.02774	3.4
179.03517	8.8
189.00989	0.4
189.12814	0.8
251.12877	0.9
295.08179	2.3
295.11566	0.9
310.88358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43692	0.4
57.03454	4.1
58.74564	0.4
59.01393	0.7
69.03468	1.1
69.17382	2.6
71.01379	2.5
85.02954	1.3
87.00900	0.9
87.04521	20.8
95.05023	0.5
107.05035	0.7
109.02994	0.5
113.06087	0.5
115.00375	3.0
115.03985	1.0
125.02453	0.4
131.03589	0.6
132.02179	0.7
133.01514	4.5
133.02982	21.6
133.05083	93.3
134.03828	0.8
134.05414	2.0
135.04536	26.2
136.04837	0.9
153.05501	0.8
161.02458	100.0
161.80397	0.4
162.02806	3.5
179.03513	15.4
180.03790	0.6
189.12848	1.8
198.33272	0.4
251.12868	1.9
295.08749	2.6
295.11707	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	295.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.4
59.01384	1.3
59.05010	0.6
59.19675	0.5
69.03466	2.4
69.06925	3.2
71.01375	1.6
71.04979	0.5
73.02952	0.8
77.31197	0.5
80.02718	0.5
81.03464	0.6
83.05022	1.5
85.02948	3.0
87.04526	23.4
94.38525	0.5
95.05042	9.3
97.02953	1.1
98.03738	1.1
105.03450	0.8
107.05069	0.8
109.02981	0.8
109.06559	0.6
111.04494	1.0
111.08163	1.0
113.06107	8.9
115.00380	1.5
115.04030	2.4
121.06622	1.8
122.03803	0.5
123.00912	1.4
123.08147	2.4
124.01687	1.2
125.02457	4.9
128.43294	0.4
131.03484	0.7
132.02220	0.7
133.01526	3.7
133.02980	24.5
133.05084	91.8
134.03345	0.8
134.05435	1.6
135.04550	11.6
137.06079	0.7
139.07649	1.4
149.09769	1.2
155.07089	0.7
161.02463	100.0
162.02829	4.1
163.11317	1.0
165.09239	1.7
169.01410	1.5
179.03516	8.0
189.12877	11.5
207.13869	2.4
219.04137	0.6
251.10297	0.8
251.12915	16.1
257.98355	0.5
295.05045	0.6
295.08304	2.3
295.11905	10.8
303.09958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1189
Annotation	Amotin
Peak:m/z	Relative Intensity
55.01893	0.7
56.03528	0.6
57.03447	7.3
59.01389	11.3
60.85752	0.6
69.03461	4.8
69.33491	3.0
71.01377	3.4
71.05015	1.2
72.59683	0.7
72.96231	0.6
73.02955	2.2
80.02675	1.0
80.48785	0.7
81.03490	0.9
83.05045	3.4
85.02956	4.3
87.00897	1.4
87.04518	23.4
88.04841	0.8
91.05531	0.8
93.03466	1.0
93.07135	0.7
95.05038	23.4
97.02982	2.3
98.03759	2.5
107.05033	1.3
108.02223	0.7
108.87320	0.6
109.02991	1.7
109.06605	1.5
111.04543	2.1
111.08179	2.2
112.05353	0.9
113.02470	0.7
113.06108	22.1
115.00373	4.0
115.04029	4.3
119.05044	1.6
121.06613	3.9
122.03728	1.1
123.00909	1.0
123.08196	5.6
124.01687	1.4
125.02467	5.6
131.03532	1.3
132.02240	1.2
133.01466	9.0
133.02985	24.5
133.05083	92.5
134.03731	1.0
134.05432	2.3
134.07413	0.8
135.04536	19.1
135.08174	1.0
137.06099	1.9
137.09698	1.9
138.30400	0.6
139.07689	3.3
149.04564	1.1
149.06200	0.7
149.09724	2.2
150.06877	1.0
151.07680	0.9
152.08400	0.8
155.07201	0.8
161.02458	100.0
162.02780	4.2
163.03990	1.3
163.11237	1.6
165.09242	4.3
165.10460	0.7
169.01453	1.7
170.08786	0.7
171.11839	1.8
173.09741	1.2
179.03502	12.0
189.12871	32.6
190.13234	1.6
205.01561	0.7
207.13907	3.4
233.11996	1.3
251.12907	36.8
252.13210	2.7
293.68646	0.6
295.04919	0.9
295.08310	3.4
295.11844	26.7
296.12073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1189
Annotation	Amotin
Peak:m/z	Relative Intensity
50.93483	1.7
55.01872	2.0
57.03460	8.3
69.03445	5.1
69.29812	8.1
73.02962	3.0
80.02677	2.0
83.05042	7.4
85.02953	4.9
95.05039	29.5
96.02183	1.7
97.03003	1.9
98.03770	2.6
109.02962	2.3
109.06609	3.4
110.03760	2.8
111.04539	20.7
111.08162	4.4
113.06092	30.6
115.03960	2.9
121.06621	8.9
122.03783	3.1
123.08174	6.4
124.05290	1.8
135.08182	4.0
137.06131	4.1
137.09729	3.1
139.07713	8.2
144.05945	1.6
147.08092	2.8
149.09721	14.0
151.07643	2.3
155.07156	3.2
161.02495	2.8
163.11307	4.4
165.09192	8.3
171.11760	9.3
189.12868	94.1
190.13155	4.0
207.13934	7.7
251.12898	100.0
252.13264	5.6
293.03342	1.8
295.11893	62.7
296.12302	3.1
313.00839	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38673	1.1
59.01385	100.0
60.01189	1.0
70.97218	1.4
71.01385	7.3
83.01434	1.1
85.02961	3.6
93.03477	1.3
95.01412	1.4
95.05164	1.2
96.95989	1.1
97.02979	2.1
101.02444	1.5
113.02457	1.5
115.00378	3.8
121.02956	2.2
123.00925	1.9
124.01678	3.7
125.02454	10.5
128.08876	1.0
132.02145	1.3
133.01457	7.1
137.02472	1.2
139.00325	1.2
140.01149	1.1
143.03519	3.3
149.02405	5.2
151.03969	1.6
151.77483	1.2
161.02493	1.5
168.00677	3.4
169.01445	11.3
170.55721	1.1
175.04010	2.2
177.05516	1.6
179.03535	1.6
193.01410	9.0
203.03548	2.8
205.01477	1.9
205.05054	1.7
206.02173	1.8
206.38658	1.0
221.04631	3.4
223.02502	6.0
233.01012	2.1
233.04613	3.2
234.01395	1.3
235.11925	3.2
251.05615	2.0
258.98926	1.5
259.99612	6.4
265.03546	1.2
278.00650	2.2
286.62851	1.1
295.04752	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	295.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10860	2.3
59.01384	17.2
71.42193	2.4
73.58389	2.4
74.33131	2.2
75.74722	2.4
124.01710	3.6
125.02508	3.4
151.08124	2.1
169.01440	3.5
183.13893	15.8
195.13927	13.8
213.14980	100.0
214.15398	3.6
270.46643	2.5
295.15106	8.1
295.22885	4.0
296.09027	5.1
310.34940	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.67602	0.4
57.03455	1.0
59.01386	2.2
70.46928	1.1
74.33030	0.5
74.80811	0.4
94.77654	0.5
97.19378	0.5
113.09758	0.7
115.57613	0.5
125.09750	0.8
130.86296	0.4
141.12823	0.6
171.10287	22.2
172.10561	0.8
183.10231	2.8
195.13921	9.7
259.20538	0.6
277.21756	39.1
278.22009	2.3
295.22800	100.0
296.23145	6.1
301.37427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.83027	1.2
59.01388	1.9
65.71251	1.2
68.30173	1.0
69.03461	1.4
70.49277	2.3
73.65361	1.3
103.74626	1.2
113.09763	1.5
135.00887	1.7
171.10283	36.3
183.10284	2.3
195.13898	3.2
277.21756	48.2
278.22122	2.2
279.09070	1.2
295.22791	100.0
296.23114	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	295.2281
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
59.01385	5.8
61.98839	5.4
66.00499	1.9
70.00087	2.2
70.29060	2.0
70.35657	4.8
92.92796	3.4
94.92542	2.4
102.50843	2.1
150.60181	2.0
152.91698	3.5
209.15474	89.2
210.15825	3.4
223.17085	6.5
245.98180	2.1
261.09305	3.1
263.10898	9.1
277.21753	100.0
278.22089	5.4
279.10358	3.3
280.11136	11.5
295.13202	13.0
295.22803	93.2
296.23123	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03442	0.8
59.01371	2.7
66.46414	0.6
70.31525	1.3
85.14046	0.7
89.22748	0.6
90.25907	0.7
93.96107	0.7
97.06602	0.7
98.21910	0.9
113.09733	2.6
115.46796	0.6
133.01447	0.7
178.99742	0.8
179.14455	1.5
183.13916	3.1
187.71016	0.7
195.13911	27.2
196.14279	1.0
198.20282	0.6
277.21753	24.8
278.22076	0.9
295.22794	100.0
296.23141	5.3
304.02625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.51609	0.6
57.03445	1.9
59.01385	2.6
61.98837	1.3
63.41993	0.6
69.98978	1.5
70.35909	0.5
83.05004	0.5
97.06617	0.7
113.09797	0.5
121.94362	0.7
125.09727	1.0
127.11323	0.8
155.14485	2.6
171.10286	35.2
183.10295	2.4
183.13863	0.7
195.13959	5.4
244.14206	0.6
251.23822	0.8
277.21747	43.2
278.22107	2.0
295.22803	100.0
296.23172	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	295.2282
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.45601	1.2
51.90356	1.4
61.98830	6.3
68.82420	1.5
70.92641	1.7
70.92963	1.5
71.01372	1.4
78.63300	1.5
92.92859	2.8
94.92530	4.4
96.96019	2.2
98.95599	2.9
111.29038	1.3
119.94717	4.3
121.94418	1.7
134.27277	1.6
135.00891	2.1
141.12868	10.9
155.14421	3.7
156.63603	1.3
175.17464	1.5
248.73051	1.4
249.22209	8.9
277.21838	3.4
295.22809	100.0
296.23199	6.8
305.53625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
59.01363	4.5
61.98830	3.6
69.03465	2.1
70.08018	2.9
70.08366	2.0
85.89803	1.2
94.92533	3.0
111.08167	2.2
113.09727	2.1
119.94740	1.7
124.46148	1.5
125.16088	1.2
138.10036	1.2
157.08710	61.2
177.65166	1.3
183.10281	2.4
195.13907	4.7
212.74722	1.4
226.03563	1.3
277.21762	55.8
278.22119	3.1
295.22806	100.0
296.23138	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	297.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78809	2.1
59.01382	3.4
61.98837	6.3
66.31303	1.8
70.50234	3.5
74.99084	3.5
82.44682	1.7
87.00946	1.9
89.04285	6.6
93.00126	2.1
94.92507	3.5
116.92879	2.1
121.06605	43.8
149.00958	38.1
163.11307	38.7
183.01202	14.6
184.01981	2.6
208.97606	2.6
223.02823	3.9
239.05548	2.2
264.98474	23.1
279.23322	2.6
281.01575	6.1
282.99585	4.4
297.04730	100.0
297.15305	32.0
297.18652	33.8
297.24252	38.6
298.04825	10.0
298.18912	2.4
299.02551	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	297.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58472	2.9
55.88483	2.8
58.21864	2.8
59.01372	3.2
59.31315	3.0
61.98823	8.5
63.19925	2.5
66.77873	2.8
69.65512	8.6
69.65852	4.2
74.99074	5.9
77.84324	2.8
81.50134	3.0
88.57150	2.9
89.04282	8.4
94.92480	3.4
105.36998	2.6
112.75318	2.7
121.94474	2.9
134.97353	2.6
149.00986	47.1
183.01247	17.3
208.97534	3.7
223.02884	6.3
264.98462	21.9
281.01709	5.0
296.23145	5.3
297.04712	100.0
297.15323	45.5
297.24390	48.6
298.04849	10.3
299.02542	7.6
300.02689	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26607	0.2
59.01125	0.4
59.01385	4.6
61.90852	0.3
69.31261	1.2
69.31657	0.5
71.01382	1.5
71.24043	0.3
72.99296	1.9
73.70300	0.3
75.00877	28.3
85.02962	0.3
85.18323	0.3
87.00877	0.5
89.02454	5.0
95.05042	0.3
97.02924	0.3
98.21303	0.3
107.05038	0.5
113.06076	0.5
117.01965	1.9
133.02962	1.6
134.03737	1.3
135.02994	100.0
135.04524	27.1
136.03358	1.6
136.04869	0.8
147.04480	0.4
155.58156	0.3
161.02467	4.2
165.09213	0.4
169.01486	0.4
175.04010	0.3
177.09222	0.4
179.03519	5.9
235.13606	0.4
253.14412	0.9
297.06155	1.6
297.13504	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
64.94161	0.4
70.93134	0.6
70.93458	0.5
71.01379	1.8
72.99316	1.3
75.00878	30.1
80.26208	0.4
87.00874	0.6
89.02451	4.7
93.57396	0.5
108.84756	0.5
117.01950	2.0
133.02969	1.3
134.03778	0.7
135.03020	100.0
135.04515	12.8
136.03357	1.8
161.02457	3.8
179.03539	4.8
242.72147	0.5
254.57816	0.5
264.42004	0.4
280.78671	0.5
297.06076	1.0
299.70035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0772
Annotation	R1128A
Peak:m/z	Relative Intensity
59.01365	0.6
74.08257	0.5
76.38034	0.5
115.52248	0.5
135.02995	0.5
158.03661	0.6
172.05351	1.7
184.05313	4.2
196.05385	0.6
197.09740	0.9
203.10880	1.1
209.06068	0.6
211.04007	0.7
212.04822	0.8
213.09241	1.8
217.08662	0.5
219.55836	0.5
221.06001	0.5
223.07629	3.0
225.09206	2.9
226.02759	0.5
231.37364	0.5
239.03474	1.2
240.04062	0.5
241.08742	3.6
251.07205	2.7
253.08797	0.7
256.03818	4.0
263.03653	0.7
264.04254	1.2
267.03003	9.8
268.03809	4.2
269.08176	1.6
279.06659	4.3
281.04565	7.4
282.05362	12.8
283.05688	0.9
296.07379	0.6
297.07709	100.0
297.24399	1.5
298.08060	6.7
306.05356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
50.41255	1.0
55.01875	1.6
57.03432	1.7
57.85564	0.9
59.01384	100.0
69.31999	4.1
71.01386	52.3
72.99303	1.0
73.02953	8.8
75.00888	9.3
81.03468	1.9
82.21786	1.1
83.01388	3.8
85.02954	13.1
86.27950	1.0
87.00893	1.3
89.02451	50.9
95.01406	4.5
96.04510	1.2
99.00883	1.8
101.02443	31.2
113.02454	22.2
117.05624	1.9
119.03513	19.7
131.03537	3.9
135.03011	23.6
135.04550	4.0
135.06644	25.6
136.07054	1.1
143.03517	3.4
149.04535	1.1
159.03052	1.6
161.04567	12.0
179.05620	10.1
237.09863	2.5
297.11942	38.3
298.12299	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
54.48497	0.3
61.88599	0.3
70.72784	0.5
91.94159	0.4
101.98360	0.5
161.13414	0.4
166.59560	0.4
183.01236	7.5
184.02013	1.9
198.03598	0.4
251.23792	1.0
279.23285	2.4
295.22852	0.8
297.15363	16.0
297.24374	100.0
298.15582	1.4
298.24683	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	297.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43880	0.4
56.55751	0.4
56.91407	0.4
59.01365	0.9
61.98837	0.9
94.92547	0.6
96.01906	0.4
123.67776	0.4
127.11288	1.7
153.12878	0.5
155.32445	0.4
169.01421	0.5
171.10292	9.9
172.88635	0.5
183.01224	3.9
184.01952	0.7
214.89709	1.0
261.22308	0.5
279.23334	11.0
280.23709	1.1
284.60867	0.5
295.22757	0.6
297.15384	8.4
297.24374	100.0
298.15814	0.9
298.24731	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	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.66539	0.4
51.68121	0.4
59.01374	0.8
61.98825	1.1
71.41451	0.7
72.70755	0.4
83.05025	0.5
94.92515	0.5
110.27305	0.4
125.74216	0.4
130.94257	0.4
141.12842	1.8
155.10796	13.5
171.10287	0.6
172.88629	0.5
183.01225	3.8
214.89667	0.7
251.23607	0.4
264.98401	0.4
279.23318	12.8
280.23676	1.2
295.22797	0.7
297.15414	7.0
297.24368	100.0
298.15594	1.0
298.24713	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	298.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.5
70.68840	0.6
70.69161	0.7
71.01381	2.2
71.66567	0.6
72.01730	1.0
72.99316	1.7
73.23475	0.7
75.00881	27.7
76.01218	4.1
77.01304	0.7
85.02944	1.4
87.00864	0.7
87.59818	0.6
89.02465	5.1
93.03458	9.5
101.02447	0.8
107.05019	1.3
108.02190	10.7
108.05415	0.7
109.02975	1.0
113.02505	0.9
115.00394	0.8
117.01952	1.6
125.02447	0.9
133.01456	1.2
134.01833	0.9
134.03737	2.1
135.03001	76.5
135.04526	87.5
136.03333	36.2
136.04857	100.0
137.02477	16.1
137.03442	2.6
137.05089	1.4
147.03008	0.7
152.01178	5.6
153.01959	1.6
161.02458	1.6
162.02817	3.0
169.01364	0.9
174.99194	1.0
179.03545	4.4
180.03862	4.0
181.03995	0.7
217.00296	1.8
222.22942	0.7
239.05478	1.3
254.24757	0.7
270.98810	1.0
284.03131	0.8
297.45889	0.6
298.06534	2.4
298.09946	1.2
299.05414	0.6
299.07834	6.6
316.55826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
65.03961	0.5
68.15993	0.4
69.16703	2.5
71.01390	1.8
73.02946	0.6
79.08820	0.4
85.02956	1.2
93.03473	70.8
94.03830	1.5
101.02460	0.8
105.30585	0.4
108.02193	1.1
113.02475	0.5
137.02464	100.0
138.02803	3.2
138.05637	1.4
152.01184	1.0
156.70654	0.4
182.79701	0.4
299.07803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
65.03963	0.5
70.66824	0.8
71.01380	2.3
73.02938	0.8
83.01403	0.4
83.95898	0.5
85.02955	1.1
92.05061	0.7
93.03464	65.3
94.03802	1.4
101.02446	1.2
108.02181	0.8
113.02438	0.5
120.18733	0.3
136.01686	0.4
137.02455	100.0
138.02827	2.9
145.61601	0.4
153.01985	0.5
161.04556	0.4
174.99232	1.0
179.03474	0.6
217.00310	3.5
284.03314	0.7
299.07666	1.5
299.85818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01381	1.3
62.91614	0.3
69.49138	0.3
70.78337	0.4
71.01385	1.9
73.02946	0.4
83.01423	0.3
85.02963	0.8
85.96522	0.3
93.03469	61.4
94.03823	1.3
101.02462	0.7
108.02177	1.7
113.02444	0.9
123.00248	0.3
137.02460	100.0
138.02789	3.1
138.05629	1.4
152.01137	1.2
153.01947	0.4
194.31403	0.4
212.77904	0.3
217.00351	0.8
236.12257	0.3
239.05746	0.3
299.08072	1.5
321.41864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	87.2
69.24540	48.3
69.67076	9.3
87.76688	9.3
93.03483	68.7
108.02181	13.1
135.02991	21.0
135.04527	19.5
137.02475	99.8
137.03473	9.3
152.01233	12.1
174.99319	29.7
217.00322	100.0
254.46777	8.7
270.98563	12.4
284.03421	11.5
299.01880	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	299.2019
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
58.54830	0.1
59.01381	1.1
62.64442	0.2
89.54383	0.2
146.57883	0.2
174.99252	0.2
185.00740	0.4
213.09235	0.5
214.09894	0.2
215.10742	0.4
217.00249	1.2
221.81863	0.2
227.10794	9.1
228.11131	0.8
237.22206	0.3
241.12386	0.7
242.99442	0.2
245.70224	0.2
269.15451	0.7
270.98859	0.5
283.17041	1.1
284.03308	0.5
284.17813	0.3
299.20169	100.0
299.99136	0.4
300.20529	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.14399	0.4
57.03464	0.4
59.01390	1.4
60.92015	0.4
67.17703	0.4
69.11520	2.0
70.90083	0.4
73.71620	0.4
92.58681	0.4
139.11383	0.7
141.12868	2.4
174.40881	0.4
217.00272	1.5
236.32880	0.4
253.25313	1.9
256.05307	0.4
263.61240	0.4
270.98929	1.2
281.24814	2.4
284.03336	1.3
297.24512	1.9
298.98373	0.9
299.05316	0.5
299.20712	14.3
299.25934	100.0
299.99008	0.5
300.20563	1.3
300.26263	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	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00325	0.3
59.01384	2.4
63.27368	0.2
65.31430	0.2
68.01423	2.8
70.62114	0.3
71.01379	0.5
75.33476	0.2
79.95749	0.2
80.96518	0.3
94.06646	0.4
95.05046	0.5
96.04562	0.3
101.91227	0.2
103.55131	0.2
109.01721	0.4
109.02926	0.3
110.06096	0.3
113.02473	0.2
122.02496	0.9
122.06158	0.2
123.03285	6.0
124.01657	0.3
124.04066	0.5
124.07710	1.1
125.02444	0.3
130.08687	0.3
136.07692	0.7
137.04834	1.0
138.05623	100.0
139.05975	2.9
140.07169	0.2
145.02951	0.3
150.05627	0.3
152.03502	0.3
152.07146	1.7
162.83725	0.2
166.08765	0.6
167.05898	1.9
168.06642	0.6
169.01436	0.4
180.06677	5.2
182.08385	0.3
182.99666	0.3
185.02460	0.4
200.01135	0.3
201.01965	0.5
210.07790	0.6
216.00552	0.3
222.07599	0.3
226.99838	0.2
229.01437	0.6
240.08676	0.3
244.00031	0.2
271.99365	0.3
283.99570	0.7
299.99155	2.7
300.10898	12.7
300.99911	9.5
301.11237	0.7
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
58.22987	0.2
59.01390	1.3
61.45851	0.2
68.01427	0.6
71.01379	0.6
83.01432	0.3
95.05057	0.3
98.21874	0.5
108.02203	0.5
109.02498	0.4
122.02502	0.7
123.03289	10.3
124.03675	0.3
125.02492	0.3
137.04878	0.7
138.05635	100.0
139.06004	2.5
142.56232	0.2
152.01147	0.2
152.07231	0.4
165.04276	0.4
167.05968	0.5
169.01479	0.4
173.02498	0.3
180.06662	1.9
229.01385	0.3
240.91852	0.2
273.00589	0.2
283.99860	0.3
299.99176	0.7
300.07681	0.6
300.10870	5.3
300.99936	4.1
301.11307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9992
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
60.87105	0.2
63.48883	0.3
64.75270	0.2
68.71586	0.2
69.16196	1.3
77.99002	0.2
117.03455	0.7
125.02402	0.3
129.03499	1.0
131.01419	0.2
145.02977	2.7
147.04529	0.6
157.02975	1.2
157.85211	0.3
161.02449	0.4
163.04031	0.8
169.01456	0.4
173.02440	3.1
185.02455	3.8
186.02815	0.3
189.01962	0.8
191.03387	0.3
199.00441	0.6
200.01123	0.6
201.01955	3.6
202.02348	0.3
213.02040	0.3
216.00691	0.4
217.01419	0.8
226.99896	1.1
228.00697	0.8
229.01430	4.6
244.00153	0.3
245.00822	2.4
254.99344	0.3
257.00928	2.2
273.00439	0.4
283.99652	4.9
284.99988	0.3
299.99127	4.3
300.99930	100.0
302.00272	5.6
302.05502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68169	0.2
63.69860	0.2
80.33920	0.2
85.50616	0.2
98.22664	0.4
98.74415	0.3
116.66325	0.2
117.03452	1.0
119.04980	0.2
124.01660	0.8
125.02441	0.9
129.03479	1.1
133.02968	0.5
139.04015	0.6
145.02959	3.3
147.04521	0.8
151.00302	0.3
157.02951	2.0
161.02435	0.9
163.03990	0.8
169.01437	0.5
173.02461	3.5
178.61566	0.3
184.01537	0.3
185.02454	4.9
186.02763	0.4
189.01906	0.9
199.00424	0.6
200.01215	0.8
201.01941	4.6
213.01985	0.4
215.59082	0.3
216.00661	0.5
217.01477	0.6
226.99873	1.1
228.00583	0.7
229.01428	5.9
230.01866	0.4
244.00195	0.6
245.00929	3.1
246.49069	0.3
254.99353	0.7
255.99905	0.2
257.00894	3.2
271.99622	0.2
273.00482	0.6
282.99088	0.3
283.99619	6.0
299.99170	5.3
300.99915	100.0
302.00256	5.8
302.05524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
63.96860	0.2
65.03648	0.2
69.43851	1.1
71.01368	0.2
96.80000	0.2
101.03964	0.3
107.01414	0.3
111.01035	0.2
117.03455	0.7
119.05027	0.4
123.00867	0.5
124.01670	1.8
125.02459	3.1
129.03455	0.7
133.02956	0.5
139.04106	0.3
140.01215	0.4
145.02948	2.9
146.18620	0.2
147.04503	0.4
151.00410	0.5
151.28963	0.2
157.02948	1.4
159.15501	0.2
161.02420	0.5
163.04005	1.0
164.18236	0.2
168.00688	0.3
169.01479	2.0
169.02829	0.3
171.00874	0.3
172.01711	0.3
173.02458	3.7
184.01726	0.3
185.02444	4.4
187.39235	0.3
189.01988	0.9
199.00378	0.8
200.01164	0.7
201.01939	3.7
202.02356	0.3
213.01981	0.4
216.00696	0.4
217.01498	0.6
226.99884	0.9
228.00676	1.0
229.01439	4.8
233.03998	0.3
240.00618	0.2
244.00171	0.6
245.00954	2.3
254.99481	0.4
256.00421	0.3
256.03323	0.3
256.45444	0.3
257.00995	2.5
271.99707	0.3
272.02814	0.5
273.00345	0.4
283.99661	5.5
299.99158	4.5
300.99930	100.0
301.06601	3.0
301.56830	1.1
301.96777	0.4
302.00284	6.1
302.05469	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	301.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	92.8
60.01716	0.7
69.78640	0.8
87.58078	0.2
98.22571	0.4
98.99482	0.3
114.98898	0.6
115.02525	11.1
116.02631	0.7
116.98667	0.5
117.00454	9.4
117.95545	0.5
118.00546	0.3
141.00444	0.4
152.73897	0.2
156.93121	0.5
156.99919	0.6
157.03568	2.5
159.01506	100.0
159.96518	1.8
160.01619	5.6
161.02037	0.2
178.31363	0.2
198.99500	0.3
201.02567	22.4
202.02753	1.1
213.37685	0.2
217.00571	0.9
241.00616	0.4
259.01593	3.7
260.01828	0.5
283.01721	0.3
290.33255	0.3
301.02679	43.4
302.02811	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	301.027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	0.8
59.01386	84.1
64.40331	0.8
71.01395	3.9
71.39616	0.9
72.73067	0.8
73.02952	1.2
74.72964	0.7
78.95941	0.8
83.01387	2.8
85.02985	1.5
86.99874	0.8
87.00906	1.1
89.02414	0.9
91.66846	0.7
93.03462	1.8
94.03812	0.7
95.01396	3.8
96.04647	0.7
101.02453	1.8
107.01411	1.1
109.02962	1.6
113.02473	2.5
114.02039	0.7
115.02534	8.6
117.00455	9.4
117.95544	0.9
121.02972	1.6
122.32557	0.7
123.00901	74.7
124.01761	6.1
125.02464	12.1
127.00388	4.2
128.03534	1.2
131.08293	3.3
137.02489	3.9
138.03247	42.9
139.00395	1.3
139.04044	12.2
145.02910	1.1
149.02446	2.0
149.99599	1.2
151.00395	2.9
151.04008	2.1
156.99879	0.8
157.03622	1.9
159.01512	100.0
160.01610	6.4
161.04590	2.0
163.04010	1.9
166.02710	1.1
168.00658	3.5
169.00117	1.4
169.01457	12.2
171.05077	0.8
172.01067	1.1
173.02396	0.8
175.00412	1.4
178.02800	1.4
181.05121	4.7
186.12428	0.9
187.04156	0.8
191.03545	2.5
193.05132	0.9
196.05812	4.1
201.02570	24.4
203.99144	1.1
215.03816	1.3
217.00456	0.9
224.05269	1.9
225.02754	0.8
229.01494	1.5
238.06897	2.5
241.03572	3.2
241.08066	1.3
243.10030	0.9
253.53951	0.8
255.09485	1.0
259.01614	2.1
265.02487	0.9
283.99579	2.0
289.78452	0.8
299.99292	1.0
300.99820	17.7
301.02737	42.4
301.05762	11.7
301.09412	1.4
301.15152	1.1
302.00476	1.0
302.02936	6.3
302.05841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79722	0.3
54.42093	0.2
56.38614	0.3
64.47421	0.2
67.01894	0.2
69.03440	0.6
69.21968	0.5
69.22359	1.3
77.03964	1.5
79.01900	0.4
83.01382	1.0
93.03468	2.0
93.89474	0.2
95.01403	0.3
97.02948	4.4
109.02953	1.1
117.03489	0.7
119.04964	0.3
121.02959	5.1
123.00906	0.4
129.03473	0.6
133.02985	0.5
137.02452	24.9
138.02794	0.5
145.02962	1.9
157.02966	0.9
161.02458	0.5
163.02756	0.2
163.04028	0.9
165.01939	100.0
166.02260	3.2
173.02429	2.3
175.04016	0.3
185.02472	3.0
186.02682	0.3
189.01926	0.8
199.00360	0.3
200.01109	0.4
201.01962	2.6
213.02013	0.2
217.01399	0.7
223.24059	0.3
226.99913	0.9
228.00714	0.5
229.01436	3.7
230.01825	0.2
244.00145	0.5
245.00850	1.3
254.99434	0.7
257.00900	1.9
266.34744	0.2
283.99628	3.3
299.99155	4.4
300.99933	65.7
301.03384	3.5
302.00290	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	301.0357
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
50.31489	0.3
59.01373	1.5
62.08167	0.4
63.02404	4.7
65.00327	8.7
69.26388	1.4
71.02992	0.3
83.01397	6.2
83.65910	0.3
93.03465	2.7
95.01390	0.5
107.01396	13.6
108.02223	0.5
109.02967	1.8
109.06599	0.5
111.00915	0.4
117.03463	0.9
121.02961	12.6
122.03291	0.4
123.00903	0.6
125.02412	0.4
125.55203	0.3
129.03514	0.7
133.02960	0.7
135.00945	0.4
139.03984	1.1
145.02974	2.7
147.04555	1.0
149.02490	1.7
149.03503	0.4
151.00383	40.8
152.00752	0.9
153.05603	1.0
157.02939	1.2
159.04494	0.5
161.02452	1.0
163.00397	1.0
163.04033	1.4
164.01103	1.0
165.01900	0.4
169.01450	1.3
173.02512	2.6
175.03961	0.7
178.99878	14.0
183.04506	0.4
185.02446	3.8
187.03946	0.8
189.01958	1.3
193.01396	0.7
199.00342	0.4
200.01141	0.7
201.01985	3.5
201.05606	0.5
211.03989	0.6
211.23923	0.4
213.01988	0.8
216.00508	0.5
217.01392	1.0
226.99850	1.3
227.03571	0.5
227.12849	0.4
228.00616	1.4
229.01411	5.6
229.05043	1.1
244.00154	0.8
245.00909	2.8
245.04584	0.9
254.99416	0.5
255.02956	0.7
256.03827	0.4
257.00891	2.7
257.04507	0.9
273.00345	0.5
273.03922	1.8
282.99191	0.4
283.99667	5.3
299.02237	0.3
299.52670	0.4
299.99136	4.7
300.99887	100.0
301.03519	58.4
301.20465	0.7
302.00217	6.4
302.03894	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	301.0358
Annotation	Bracteatin
Peak:m/z	Relative Intensity
51.41597	0.2
56.01501	0.3
63.02395	0.8
65.00333	2.2
66.58293	0.2
71.01380	0.3
73.35151	0.2
77.03964	0.5
83.01402	1.3
88.73975	0.2
93.03459	0.5
97.57758	0.2
105.03467	1.1
107.01402	4.6
117.03477	1.1
119.05079	0.4
120.23714	0.2
121.02951	1.2
123.00865	0.6
125.02469	0.8
127.01926	0.3
129.03477	0.9
133.02974	0.9
135.00850	0.3
135.04510	0.3
143.05122	0.2
145.02965	2.8
147.00917	0.5
147.04529	0.9
149.02460	30.6
150.02904	0.8
150.99171	0.4
151.00388	8.3
157.02971	1.5
157.06595	0.3
159.04517	0.8
161.02441	0.6
163.03998	0.8
165.05568	0.6
167.05086	0.5
169.01497	0.5
171.04549	0.4
173.02449	3.1
173.06110	0.4
174.02809	0.3
175.00378	1.0
177.01942	0.5
182.03830	0.3
183.04512	1.0
184.05255	0.8
185.02443	5.0
185.06050	0.5
186.03030	0.4
187.03996	0.8
189.01920	1.3
189.68123	0.2
190.02742	0.3
191.03532	4.7
195.04410	0.3
196.05293	0.3
197.06120	0.3
199.00328	0.5
199.04118	0.6
200.01141	0.7
201.01950	3.8
201.05595	0.4
209.11847	0.9
211.04036	1.2
212.04707	0.7
213.01918	0.5
213.05557	0.9
214.02713	0.4
215.03529	2.9
216.00636	0.3
217.01456	1.8
217.05070	0.6
225.05595	1.4
226.99954	1.2
227.03534	1.2
227.12897	0.6
228.00589	0.7
229.01437	4.9
229.04971	0.5
233.04581	1.0
239.03439	1.9
240.04301	3.6
240.07965	0.8
241.05025	1.0
244.00157	0.4
245.00925	2.6
253.05060	1.0
254.99324	0.7
255.02902	1.9
255.06641	6.2
256.07321	1.3
257.00943	1.8
257.04568	0.6
268.07364	0.7
270.08960	5.4
271.06082	0.8
271.09702	2.0
273.00363	0.6
273.04089	0.6
282.98911	0.3
283.02399	0.8
283.09680	0.4
283.99658	5.6
286.08466	0.7
299.99207	4.5
300.02457	0.3
300.99902	91.2
301.03519	100.0
302.00217	5.5
302.03882	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	301.0568
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
59.72203	0.5
66.53714	0.4
68.86951	0.4
69.03461	2.6
69.42413	0.5
71.18019	0.6
71.35921	0.5
79.01891	1.2
81.03461	1.1
83.01420	0.9
95.01400	1.1
97.02986	2.4
107.01409	1.8
123.00886	4.0
124.01677	19.3
125.02462	53.0
126.02786	0.9
130.84480	0.5
137.02502	0.5
139.04028	0.7
149.99602	30.6
151.00400	2.9
167.03604	0.6
168.00659	71.0
169.01434	7.9
181.88756	0.5
210.11365	0.4
283.04630	5.6
285.92200	0.6
301.05670	100.0
302.06006	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	301.0568
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
59.01388	1.2
69.03452	2.1
71.01379	0.9
79.01910	0.6
81.03471	0.8
83.01382	1.2
89.02454	0.6
95.01394	1.1
97.02970	2.8
107.01399	2.1
123.00904	5.2
124.00750	0.7
124.01672	16.6
125.02458	56.2
126.02795	1.8
136.95988	0.4
137.02429	0.6
138.03252	0.9
139.03992	1.5
147.08215	0.4
149.99600	26.0
151.00359	3.9
167.03604	0.5
168.00662	64.9
169.01451	13.2
201.02003	0.6
211.02570	0.9
228.98251	0.4
241.03433	0.7
262.74237	0.4
266.55399	0.4
283.04596	6.6
301.00446	13.2
301.05652	100.0
302.00504	0.6
302.05969	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	301.0719
Annotation	cis-(-)-DMDI
Peak:m/z	Relative Intensity
59.01383	8.3
68.04462	1.2
68.99793	1.0
69.01474	1.1
69.03466	3.8
69.34116	5.4
69.86997	0.9
71.05030	5.2
81.03461	2.4
83.01403	7.0
84.65081	1.1
93.03479	6.8
95.01414	3.8
95.05050	2.4
96.93290	1.0
97.02970	8.6
102.97906	1.1
105.03448	2.5
107.01331	1.0
107.05068	2.0
108.02193	3.4
109.02966	88.3
110.03320	1.2
111.04559	1.1
117.03477	2.3
119.05049	2.7
121.02965	7.9
122.03787	5.2
123.00904	7.3
123.04543	34.0
124.01690	2.6
125.02460	6.0
129.03488	1.4
131.05080	1.0
133.02992	2.7
135.04549	5.0
137.02463	42.3
138.03227	1.1
139.04030	27.2
139.05838	1.2
140.04269	1.4
145.02986	5.3
147.04550	8.3
149.01256	2.3
149.02460	45.7
150.03276	4.8
151.04027	40.6
152.04375	1.0
157.02989	1.8
159.04555	2.8
161.02452	13.2
162.03304	2.2
163.04021	6.9
165.99167	1.1
169.01451	4.6
173.02446	5.9
173.06073	1.7
174.03247	1.4
175.04018	3.3
176.01204	10.9
177.01993	9.9
178.02727	9.4
179.03548	6.7
185.02489	5.2
185.05948	1.1
189.02055	2.3
190.78751	1.1
191.03528	15.7
192.04269	3.4
197.06119	4.3
199.04225	1.1
201.01996	3.6
201.05504	1.4
203.03470	1.4
213.05591	18.8
215.07147	67.0
216.07547	3.4
217.01535	1.6
226.99924	1.2
229.01405	7.2
233.08301	1.7
239.07172	2.7
245.01163	2.4
247.02507	1.4
255.06656	3.8
257.00983	3.7
257.08255	11.3
258.08475	1.2
283.06223	2.3
283.99649	7.1
286.08328	1.2
299.99161	6.8
300.99948	100.0
301.07184	57.4
301.16641	1.2
302.00262	6.4
302.03491	1.5
302.07391	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	301.0931
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.19996	0.4
59.01378	1.0
69.71428	1.0
69.71831	0.8
71.01389	4.5
73.02957	1.0
77.40102	0.4
82.34951	0.4
83.01382	0.7
85.02957	1.8
89.02450	0.4
95.01395	5.4
98.22543	0.7
99.00912	0.4
101.02445	2.4
108.02181	1.1
109.02966	0.9
113.02457	2.5
119.47967	0.3
121.02976	2.7
122.03781	0.5
123.00900	100.0
124.01795	5.5
125.02512	2.2
130.57130	0.4
136.01694	0.4
137.02448	3.6
137.55052	0.4
138.03244	57.6
139.04051	12.5
140.04353	0.5
145.42024	0.4
149.02457	1.5
150.03226	0.8
151.00362	0.4
151.03995	2.0
161.04544	3.5
163.03986	1.0
166.02754	2.5
168.00612	0.4
169.01456	1.9
178.02744	1.4
181.05084	5.6
193.05101	2.5
300.99927	0.9
301.05652	2.1
301.09314	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	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.65568	0.2
60.08526	0.2
60.97507	0.8
69.40503	0.9
69.40913	0.5
74.65609	0.3
74.99075	1.1
78.82536	0.2
89.74049	0.2
118.96268	1.0
134.98412	0.5
134.99406	6.0
136.97385	1.8
143.05356	1.3
159.08501	1.4
161.05147	0.4
161.06413	5.5
191.72121	0.3
201.04097	0.7
203.05692	3.0
205.03526	1.2
215.05688	1.2
217.07220	85.7
218.07326	5.7
283.11966	0.7
283.99725	0.3
285.13498	37.9
286.13666	3.1
299.99118	0.3
300.99902	7.1
301.16611	100.0
302.00320	0.6
302.16791	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	302.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84901	6.9
64.24149	7.2
69.06976	52.4
69.88480	6.8
77.12963	6.5
87.73822	6.4
89.74514	7.8
96.78981	6.8
98.21800	13.6
143.64723	6.6
240.19908	8.1
266.38800	7.7
285.00049	12.8
302.00238	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	304.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.4
60.01717	1.9
61.01807	0.5
61.98837	100.0
65.77477	0.3
66.29178	0.3
69.99190	0.4
69.99524	0.7
76.02083	0.3
92.69592	0.3
98.21976	0.4
115.02523	0.4
116.02635	0.8
117.00513	0.5
117.02259	1.1
117.95573	0.5
117.97346	0.3
118.00625	0.4
118.97582	0.7
119.00225	0.8
119.95261	1.2
134.97070	1.6
159.01511	3.1
159.96625	1.1
160.01646	6.7
161.01208	9.6
161.48241	0.3
161.96298	3.9
161.98964	21.4
162.01628	1.8
162.96552	3.5
162.99081	1.0
176.98079	0.5
189.59705	0.3
202.02769	2.1
203.02332	1.5
204.00002	4.1
204.02798	0.7
261.99194	0.4
304.00159	10.3
304.02856	7.0
305.00253	1.2
305.03055	0.5
318.17108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	13.5
69.91908	20.3
69.92273	20.9
71.01382	12.2
89.00323	11.6
134.24982	11.0
160.98807	23.4
182.08228	12.8
208.00111	11.9
232.97469	11.1
233.00888	9.6
273.00433	12.5
288.26880	11.6
304.00760	100.0
305.03101	10.1
305.15924	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	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	46.8
59.03302	0.6
62.11278	0.5
70.50156	0.4
70.50488	0.7
143.67964	0.5
168.13948	100.0
169.14310	4.9
212.12975	1.8
243.05678	0.4
248.80086	0.4
304.15747	0.4
304.19189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.8
71.01384	9.3
71.40498	1.0
72.00912	0.7
72.99309	3.8
75.61126	0.8
81.03487	0.8
85.02924	0.8
87.00881	2.3
89.02428	0.8
99.04530	0.8
101.02424	0.7
111.04545	0.7
113.02444	1.3
116.98730	4.5
125.02443	4.5
131.00285	5.0
132.98222	1.7
142.96626	3.3
143.03534	1.3
144.04561	18.9
144.98219	0.8
146.99780	0.8
147.03024	1.6
147.06651	1.4
158.99771	100.0
160.00116	1.9
173.01329	47.6
174.01686	0.9
174.99240	2.6
184.97687	25.2
186.99258	2.0
189.00819	1.3
201.00748	5.2
202.98662	1.0
229.00330	2.4
230.98178	0.8
244.99771	5.9
245.03459	3.3
296.90704	0.8
305.08893	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0307
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
53.04249	0.3
53.89082	0.4
57.03166	0.3
57.03439	0.4
60.69487	0.3
63.02408	0.5
64.51516	0.4
65.00337	0.6
69.32901	1.7
83.01394	0.5
90.64100	0.3
96.96017	0.5
106.04263	2.0
106.71451	0.4
107.01397	0.6
109.02956	0.5
110.49947	0.3
117.03494	0.6
118.57219	0.3
125.02446	2.1
127.43839	0.4
133.02933	0.5
145.02982	0.8
146.03735	0.8
151.00366	1.5
161.02461	1.2
162.03186	0.9
173.02460	1.0
177.01810	0.4
178.99878	0.6
189.01962	3.0
190.02737	21.7
191.03337	1.4
217.01437	19.8
218.02205	18.4
219.02669	0.8
233.04503	1.2
246.01707	100.0
247.02066	5.5
251.21460	0.4
261.04062	35.0
262.04404	1.7
280.48883	0.4
305.03036	5.7
305.06592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0306
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
53.92375	0.5
59.01392	3.6
61.41644	0.6
69.52206	2.2
71.01384	1.1
72.99300	0.9
73.97950	0.8
73.98326	12.5
74.98714	0.6
74.99104	10.8
80.13397	0.5
87.00866	1.2
87.04485	0.6
94.78043	0.5
96.96004	0.9
101.02436	1.0
107.05043	0.8
113.03962	0.5
115.02188	1.0
117.03470	4.4
119.04941	0.7
121.02994	0.8
125.02462	1.0
129.03503	0.9
133.02980	4.4
145.02969	8.9
147.04495	0.8
151.04013	0.7
157.02962	1.2
160.06439	1.4
161.02467	13.0
161.07201	1.3
163.04027	3.6
173.02452	7.0
179.03535	0.9
189.01959	15.5
189.06735	1.0
190.02606	1.0
195.04950	0.5
201.01996	6.7
201.10332	0.8
201.98962	0.6
203.11838	0.7
215.03394	0.7
216.00574	0.8
217.01440	51.6
217.09009	2.9
218.01826	3.9
229.01448	5.1
229.09941	1.2
245.00938	42.5
246.01495	5.1
261.04083	2.4
263.02005	0.7
269.78140	0.6
273.00439	100.0
274.00739	6.3
287.09711	0.7
305.03070	49.1
305.10489	7.0
305.19522	2.6
306.03452	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	305.067
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03455	8.6
59.01389	1.3
67.18138	0.4
69.03470	1.3
69.35719	0.4
69.60030	0.9
69.60415	1.1
71.01386	0.5
72.99324	0.5
73.81644	0.4
81.03470	4.8
83.01398	4.3
83.05031	0.6
85.02979	0.5
86.81440	0.4
87.00900	0.7
91.07983	0.4
92.21714	0.4
93.03480	2.5
95.01389	2.1
95.05041	3.9
97.02963	4.6
99.04511	0.5
105.03487	0.4
107.05052	1.2
108.02202	0.6
109.02976	11.9
110.03305	0.5
111.04527	9.6
113.06122	0.6
121.02980	2.8
123.00900	6.5
123.04538	1.6
124.01667	5.0
125.02464	100.0
126.02817	2.5
131.05022	0.7
133.01428	0.9
133.02963	0.6
133.06616	1.0
135.04494	2.0
137.02461	29.8
137.06110	0.5
138.03200	1.6
139.04033	22.7
140.04375	0.7
145.03137	0.5
145.06622	0.4
147.04506	0.6
149.02429	1.3
149.06100	1.9
151.04028	2.4
155.03484	0.5
158.03804	0.8
158.99873	0.5
159.04530	1.8
161.02505	2.9
162.03244	1.0
163.03899	0.4
164.01181	6.5
165.00536	0.5
165.01958	20.6
166.02612	1.2
167.03517	21.2
167.13040	0.5
171.08287	0.5
173.06143	1.1
175.03989	2.9
176.04773	1.2
177.01949	1.4
177.05568	4.2
178.02748	0.8
179.03516	18.8
180.03917	0.6
181.05125	0.7
189.01939	0.6
189.05579	0.5
190.02594	0.4
191.03528	0.6
191.07156	2.1
193.05040	0.4
201.05621	1.8
203.03517	3.5
204.04240	3.7
215.07184	0.9
218.05838	0.9
219.06648	14.1
220.06953	0.8
221.04590	7.7
222.04898	0.5
233.08188	0.7
236.95023	0.4
237.07726	1.5
243.06735	1.3
247.02402	0.7
261.07672	6.5
263.05624	0.7
287.05878	0.6
305.06699	55.5
306.07010	3.5
314.90402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.067
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.32682	1.0
57.01279	0.9
57.03453	9.1
58.70800	1.0
59.01381	13.0
66.85899	1.2
67.01849	1.0
69.03441	1.6
71.01379	4.0
71.41773	1.3
73.02966	1.1
81.03446	3.1
81.29171	1.0
83.01391	4.5
85.02937	2.1
89.02452	2.2
93.03483	2.5
95.01378	2.4
95.05032	3.6
97.02948	4.8
101.02441	2.8
102.77544	1.1
107.05059	1.5
109.02974	11.3
109.87753	1.2
111.04563	7.7
113.02442	1.8
121.02967	2.5
123.00897	5.6
123.04507	1.5
124.01671	4.5
125.02459	100.0
126.02810	2.9
135.04533	2.6
137.02455	28.5
138.03192	1.3
139.04031	19.6
149.06046	1.8
151.04033	3.4
153.01967	2.1
159.04520	1.7
161.02458	3.6
164.01201	7.9
165.01944	20.3
167.03513	21.8
173.06154	1.3
175.03992	3.4
177.02002	1.8
177.05594	3.6
179.03513	20.7
189.01955	1.1
189.05534	1.2
191.07176	3.0
201.05626	1.3
203.03569	2.9
204.04318	3.5
205.01471	1.1
219.06607	14.2
220.07018	1.6
221.04501	8.5
237.07642	2.3
243.06647	1.5
261.07541	6.7
305.06677	50.6
305.15994	1.2
305.19861	1.2
306.06995	3.0
323.36292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.6
71.01389	1.9
80.48139	0.9
91.29356	0.9
96.08190	1.8
96.96015	1.8
101.07758	0.9
108.04566	9.3
109.05354	2.0
117.03431	1.1
121.02988	1.4
121.05322	2.5
121.85793	0.9
122.06121	4.1
124.01660	1.2
124.07694	50.9
125.02496	4.5
129.52014	1.0
131.15720	1.0
135.04549	2.2
136.07692	100.0
137.08057	2.0
138.09267	7.9
145.02977	1.4
160.98811	2.3
161.02423	1.4
161.06064	1.0
163.04010	3.1
164.04817	1.0
168.06674	50.1
169.01399	5.2
169.06990	1.2
175.07678	1.1
180.06683	20.1
181.07053	0.9
182.78070	0.9
186.14243	1.0
189.02017	1.1
190.12312	1.2
217.01364	1.3
218.15524	4.4
232.97273	1.8
233.12952	2.3
245.12926	1.5
261.00446	2.0
261.11343	2.0
261.16077	1.9
273.00391	1.5
292.20731	1.0
304.58798	1.2
305.03076	2.8
305.06598	0.9
305.10214	2.0
305.11475	1.8
305.15057	14.6
307.52621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1763
Annotation	Corrin
Peak:m/z	Relative Intensity
57.98985	4.0
59.01367	15.1
61.98819	10.8
71.05032	39.6
74.34205	4.2
84.71098	3.7
93.03426	6.4
95.05031	14.9
98.22704	8.3
100.02764	4.4
109.06585	17.1
135.08221	3.9
143.98051	4.1
146.86751	5.8
150.61418	4.6
161.06078	5.4
162.91127	5.3
165.09221	14.6
189.12822	17.5
192.91014	4.8
205.15919	7.1
209.45641	3.7
221.02875	3.9
233.11873	7.5
243.17610	11.3
249.14948	8.2
287.16553	74.4
288.16821	5.3
305.08267	10.0
305.17621	100.0
305.21048	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
52.07615	5.7
53.04871	5.3
59.01366	14.4
61.98827	15.7
69.40976	12.1
69.41365	11.3
71.05029	46.8
71.10930	4.9
81.03448	6.7
83.99971	5.2
89.00423	5.0
95.05030	21.9
109.06596	12.3
146.63422	6.2
160.98827	6.9
162.91100	10.0
165.09232	10.8
176.33112	5.6
189.12785	14.4
205.16008	11.0
232.97272	9.3
233.11890	7.9
243.17616	10.2
246.88393	9.1
249.14929	18.2
279.65356	5.8
287.16562	100.0
288.16891	8.7
296.88434	5.9
305.08163	11.2
305.17654	97.5
305.21130	10.8
305.43631	5.8
306.17786	8.1
327.58475	5.6
328.02765	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	305.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01111	0.9
55.01862	1.3
57.03445	2.1
59.01367	2.8
65.03972	2.8
65.32685	0.8
67.05486	0.7
69.77249	2.8
71.05037	6.5
79.05536	10.5
80.02697	1.0
80.23570	0.9
83.05063	1.1
89.00300	1.9
93.03469	0.9
95.05041	2.8
97.06591	15.7
106.04259	8.1
107.05026	2.4
109.06580	2.2
117.07113	1.7
119.05072	1.6
120.05833	6.7
121.06609	4.7
123.08166	5.7
125.09732	16.4
133.06575	1.1
135.08171	100.0
136.08485	2.6
137.09691	1.9
141.01746	1.0
144.88710	1.0
151.11275	3.4
160.98816	1.6
161.06172	1.4
163.11311	1.9
171.10234	1.2
179.52023	1.0
185.11829	2.9
189.12854	1.7
205.15945	6.5
207.10274	3.3
209.11880	2.0
221.11858	1.7
231.13882	1.2
232.97235	2.4
233.11809	1.5
243.17444	1.2
249.14960	52.8
250.15331	4.7
261.18469	1.0
263.16513	2.6
269.15405	1.7
277.18127	3.4
284.45901	0.9
287.16547	8.2
288.16812	1.0
305.17596	84.9
306.17960	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
53.68719	2.4
55.54446	2.0
56.32791	1.9
59.01369	9.2
61.98824	3.6
69.03455	2.0
69.74927	5.2
71.05026	25.7
81.03433	2.5
89.00333	2.0
93.03477	3.4
95.05032	12.1
97.06614	3.1
106.04234	3.1
108.02188	2.4
109.06606	13.2
111.04548	2.4
119.05009	2.3
123.04586	2.5
123.08195	3.4
125.02376	2.7
125.09728	4.9
135.08142	14.5
146.86688	3.6
147.04478	2.4
147.08188	3.2
161.06094	3.5
163.07594	2.2
165.09222	8.9
174.67203	2.4
185.11789	10.6
186.00714	2.1
189.12839	10.8
194.12788	2.2
205.16005	5.7
232.97218	3.3
233.11877	4.9
243.17644	12.3
244.17719	2.3
249.15034	11.2
269.15628	3.1
287.16544	67.4
288.16852	5.6
305.08185	3.3
305.17606	100.0
306.17807	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	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01376	6.7
71.05029	29.7
81.03445	2.8
83.05011	3.8
94.81644	2.3
95.05012	16.5
97.60958	2.0
98.21873	3.4
106.14838	2.0
107.05003	2.1
109.06593	12.9
121.06604	5.5
131.00533	2.0
135.08115	2.7
147.08180	5.0
149.00847	2.1
150.73415	2.4
157.06645	2.0
160.98831	5.2
165.09167	7.6
189.12880	11.3
205.15993	8.6
229.15929	15.5
231.13918	2.8
232.97154	5.5
233.11819	5.0
243.17508	7.1
249.14905	10.3
261.18472	3.4
263.16730	2.6
287.16541	62.5
288.16891	5.5
305.17584	100.0
306.17911	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	307.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00300	0.8
65.03915	0.7
67.01868	1.0
69.37662	3.3
77.03951	1.1
82.08434	0.7
91.05016	0.7
91.05549	7.0
91.60019	0.6
93.03432	2.1
96.95979	1.1
97.48167	0.6
101.02444	0.6
101.03964	1.5
103.05521	1.8
105.03485	0.7
107.05012	2.1
117.03455	3.2
119.05053	10.9
120.05341	0.7
121.02916	1.0
125.02427	1.2
129.03488	0.9
131.05026	0.8
132.02200	4.4
133.02925	1.4
135.04523	5.2
145.02965	12.2
146.03764	1.6
147.04538	15.0
148.01666	1.5
149.02426	0.9
151.00368	1.3
157.02959	1.3
160.01643	1.3
161.02467	1.5
163.04019	9.2
165.01918	0.8
173.02440	12.2
174.03203	4.7
175.04018	42.6
176.01151	3.0
176.04398	1.5
178.99823	1.2
189.01917	1.7
190.02728	7.0
191.03511	47.3
192.03854	2.2
201.02000	3.1
204.00627	2.8
207.06644	1.1
217.05225	0.9
219.03000	100.0
220.03319	4.1
235.06239	1.2
245.00951	4.6
255.66554	0.7
263.01987	41.5
264.02283	2.4
289.00012	1.0
307.00983	78.0
308.01401	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	307.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08614	0.5
59.01387	9.0
65.00311	0.9
66.52987	0.4
67.01859	1.5
71.01400	3.4
72.99275	0.6
77.03938	1.5
79.95739	0.6
80.50838	0.4
83.01351	0.9
85.02943	0.8
89.02460	4.2
89.03984	0.8
91.05032	0.7
91.05541	8.0
92.89723	0.5
93.03429	1.5
95.01377	0.8
96.96027	6.9
99.00853	1.3
101.02471	3.1
101.03960	1.4
103.05511	1.7
105.03440	0.6
107.01225	0.4
107.05038	3.1
109.02922	0.9
113.02435	1.3
117.03463	3.6
119.03620	2.2
119.05038	12.6
121.02934	0.6
123.04511	1.1
129.03468	1.3
130.04224	1.0
131.04990	0.9
132.02188	4.7
133.02971	2.3
135.04535	8.9
137.06114	0.6
145.01416	4.5
145.02937	16.0
146.03764	3.0
147.04536	16.3
148.01695	2.2
148.04761	0.9
149.02470	0.8
157.02907	1.6
160.01660	2.5
161.02434	3.3
161.05962	0.6
163.04041	10.1
173.02457	12.9
173.06052	1.5
174.03194	6.3
175.04019	43.1
176.01192	3.7
176.04324	1.5
177.01851	0.6
179.03500	2.0
188.01146	0.6
189.01929	1.9
189.05501	0.8
190.02734	9.4
191.03520	48.2
192.03838	1.7
201.01968	2.5
201.05638	1.7
202.02745	2.1
203.00037	0.5
204.00711	2.8
216.00632	0.8
217.01439	1.5
217.05078	1.9
217.08705	0.5
218.02188	0.6
219.03001	100.0
220.03384	3.9
245.00929	4.2
245.04544	0.6
261.04095	1.4
263.01981	38.5
264.02377	2.0
288.99863	0.7
307.01028	72.6
307.04593	6.2
307.08469	3.9
307.14056	1.0
308.01419	4.2
308.04742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43333	0.2
59.96721	0.4
61.72574	0.2
70.81604	0.4
71.76740	0.2
74.99074	5.9
91.02219	3.0
93.00154	2.1
94.61423	0.2
106.96191	0.2
125.04901	0.2
135.04501	0.3
143.05309	0.4
149.00949	2.7
159.08476	6.9
161.06396	1.6
192.98122	0.5
206.99747	1.4
209.01271	2.5
210.01331	0.4
216.41849	0.2
217.07228	1.1
223.02844	49.4
224.02802	3.7
225.00778	0.3
241.03896	0.7
264.61267	0.3
275.06000	0.4
289.07507	1.7
291.09116	100.0
292.09213	9.7
307.01050	0.3
307.12259	2.4
309.10086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42503	0.2
53.27757	0.2
59.96721	0.7
60.55832	0.2
69.56551	0.7
74.99078	6.4
91.02218	2.5
93.00145	2.0
119.74733	0.3
141.07487	0.2
149.00951	2.5
157.67682	0.2
159.08482	6.8
159.20103	0.2
161.06395	1.6
168.05687	0.2
192.98094	0.8
206.99748	1.7
209.01314	2.6
217.07236	0.7
223.02849	51.1
224.02902	3.8
224.58011	0.2
225.00786	0.4
241.03857	0.5
273.07599	0.2
275.06046	0.8
289.07617	1.9
291.09122	100.0
292.09247	9.7
307.12225	2.7
307.19397	0.3
308.12271	0.2
309.10181	1.4
310.10303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.8
61.98829	7.8
65.03972	64.0
70.68692	5.7
70.69041	5.0
71.05031	47.1
76.86697	4.0
83.84677	3.9
95.05022	4.1
97.06602	70.7
119.08669	13.9
121.06606	100.0
123.08154	4.0
125.09727	38.0
158.80511	3.9
167.14359	4.0
185.11856	87.0
209.11816	32.9
211.13417	30.6
219.02922	4.8
235.13402	96.8
236.13838	5.5
237.60950	4.4
289.17993	22.1
307.00845	6.1
307.19107	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	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	9.2
58.13759	6.1
61.98824	7.3
65.34629	5.2
69.40886	7.3
69.41213	28.0
79.07147	6.1
80.02689	5.8
83.05033	8.8
93.03378	5.4
97.06586	10.5
106.04263	6.5
108.52592	6.0
109.06574	7.1
111.08146	8.2
111.29598	5.0
113.09748	9.7
121.06615	7.5
125.09738	20.5
135.08206	27.3
137.09735	16.2
149.09749	10.8
151.11296	17.3
153.09262	14.0
163.11356	6.1
171.10295	45.0
179.03455	7.5
185.11821	25.6
207.84732	6.0
209.11899	30.2
211.13402	9.8
219.02927	5.5
245.19102	11.1
265.17923	7.8
289.18152	62.0
307.19214	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	307.1918
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
54.38451	1.6
57.03453	8.8
59.01373	8.7
68.47323	1.5
69.03455	2.6
71.01370	3.4
74.94197	1.8
80.02694	2.4
83.05015	3.4
90.45670	1.8
93.03437	2.3
97.06608	17.3
98.03755	2.4
106.04191	2.0
107.08681	2.1
109.06576	4.4
111.08148	9.2
123.04560	2.7
125.09767	4.5
127.11291	2.1
133.10201	2.0
137.06085	2.2
137.09718	3.7
140.98718	1.8
149.09663	3.2
151.11324	14.9
153.09261	3.0
153.12885	3.9
155.10809	15.0
160.08839	1.7
163.11330	6.3
165.12872	15.2
166.09993	2.3
167.10811	5.1
169.12370	3.3
175.04121	2.6
177.12877	2.3
179.10728	2.7
181.12354	20.7
191.03493	2.2
191.10818	4.9
191.14445	7.7
205.12354	3.5
209.11839	34.1
210.12132	2.6
211.13406	6.2
239.09219	2.7
244.18166	1.8
245.19122	33.3
263.20187	10.7
271.16986	3.3
279.19669	4.8
289.18143	45.7
290.18515	3.0
307.19180	100.0
308.19489	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53777	0.7
57.03449	0.9
59.01376	3.0
69.97147	2.9
71.05029	5.3
80.02708	1.0
81.03465	2.5
83.05034	1.4
95.05022	1.9
97.06618	1.3
98.03751	2.1
98.21982	1.3
109.06593	15.9
109.76757	0.8
111.04521	7.0
123.04481	0.8
123.08194	1.1
125.09711	2.0
127.07669	5.0
137.09727	2.3
143.10796	2.5
145.06615	2.9
149.09694	1.5
159.93010	1.0
167.10823	2.9
177.12898	0.9
179.10867	1.0
195.14017	4.4
219.02985	1.5
235.13356	1.4
245.19133	5.2
251.16582	1.1
261.18365	0.9
263.02158	1.0
271.17307	1.2
287.16492	2.7
289.18124	100.0
290.18451	9.2
307.00995	1.3
307.19183	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31024	1.4
57.03444	6.0
59.01388	7.1
61.98817	2.7
69.03474	3.1
80.02681	1.8
81.03468	6.3
83.01393	6.6
83.05032	3.5
95.05036	3.8
97.02966	6.4
97.06607	11.6
109.06599	2.2
110.03751	1.8
116.40823	1.4
121.06564	2.0
123.04527	10.9
123.08154	4.0
125.09731	21.0
135.08165	2.0
137.06126	1.5
137.09747	14.5
141.12871	3.5
149.06143	2.8
161.09637	2.4
163.07701	2.5
163.11285	14.2
165.09178	2.2
165.12862	3.7
167.10826	2.1
171.10313	2.2
177.12866	1.7
179.10823	1.7
181.12418	4.5
185.11850	23.8
191.10771	3.4
191.14404	19.7
207.10301	8.8
209.11862	33.8
217.16022	2.2
219.02969	3.1
225.11380	9.2
227.18240	2.0
243.17679	2.4
245.16591	2.3
245.19112	40.8
246.19395	2.1
263.20367	1.7
269.46039	1.7
271.17087	5.2
289.18118	100.0
290.18533	8.6
307.19165	56.1
307.22681	1.8
308.19287	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01904	2.9
57.03454	5.3
59.01396	3.3
61.98832	2.8
65.03971	64.9
69.37508	13.0
71.05032	38.5
76.41150	2.4
79.80470	2.6
83.05064	2.7
93.03447	4.2
97.06609	75.9
117.07170	3.3
119.08689	17.2
121.06606	94.0
123.08142	5.7
125.09750	46.3
135.08234	13.5
137.09741	8.0
141.12894	3.3
163.11313	3.1
171.10275	13.1
185.11852	84.6
185.28526	2.6
186.12221	3.5
191.14499	3.3
209.11874	37.2
211.13399	31.5
219.02966	3.8
235.13431	100.0
236.13838	7.3
245.19090	4.9
249.14967	5.8
289.18106	43.3
307.00827	4.1
307.19135	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59056	1.5
57.03444	6.9
58.24866	1.5
59.01378	8.7
68.96332	1.5
69.03463	1.6
71.01386	8.7
79.95736	3.6
80.02705	2.5
81.03451	2.8
83.05036	4.0
93.03426	1.9
95.01353	1.6
95.05042	3.5
97.06597	15.3
98.03709	2.0
106.04270	1.6
107.05033	1.8
109.06590	4.9
111.08149	11.3
113.06094	1.9
116.84612	1.6
119.01413	1.7
121.06590	3.6
123.04573	2.4
125.09723	7.7
127.11258	2.1
135.00911	1.5
137.09723	2.9
149.09712	5.8
151.11307	20.8
153.09193	4.6
153.12843	3.8
155.10811	11.9
161.99167	1.8
163.11272	5.7
165.12860	23.3
166.09981	1.9
167.10774	5.3
169.12349	2.4
171.10391	3.9
175.03934	3.6
177.12909	3.9
179.10820	4.3
181.12372	24.7
185.11819	5.6
191.03543	5.2
191.10771	9.5
191.14342	8.9
195.10159	2.8
197.11885	2.0
205.12370	4.2
209.11842	44.1
210.12154	2.7
211.04814	2.1
211.13431	10.0
216.97844	2.0
219.02991	6.4
224.10551	2.7
225.11229	2.1
228.62279	1.5
235.20647	2.2
239.09229	4.4
245.19115	34.4
246.19453	2.5
261.18600	2.0
263.20062	10.2
271.17062	5.2
279.19678	4.9
289.18121	52.2
290.18460	2.8
306.97687	2.4
307.01047	6.3
307.19153	100.0
308.19391	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01330	0.9
57.03436	4.2
59.01376	4.3
69.03444	1.7
70.75186	1.2
71.05022	1.3
80.02696	1.9
81.03457	2.7
83.05036	1.8
93.03438	1.3
95.05035	2.4
97.02979	5.4
97.06594	10.1
106.04234	1.7
109.06590	2.8
121.06605	2.9
121.10238	5.2
123.04524	6.5
123.08176	3.2
125.09742	12.8
135.08159	3.0
137.06062	1.2
137.09772	8.6
141.12842	2.9
149.06104	2.2
149.09700	1.0
151.07568	1.0
151.11310	1.3
155.10793	1.2
163.07695	1.8
163.11293	8.5
164.08464	1.3
165.09200	1.2
165.12907	2.4
171.10275	2.6
175.04033	2.8
177.12830	1.3
179.10754	1.6
181.12299	1.6
185.11826	14.5
191.03497	2.7
191.10786	1.2
191.14423	13.5
199.09688	1.3
200.45544	1.0
203.88977	0.9
207.10133	4.9
209.11845	12.0
211.13419	1.8
216.18787	1.1
217.15935	2.5
219.02985	3.5
225.11375	7.2
226.12035	1.5
227.18205	2.0
237.11423	1.7
245.19110	36.4
246.19475	1.9
261.18716	2.8
263.16452	1.0
263.20178	3.0
271.17020	4.2
287.16492	1.3
289.18115	98.5
290.18481	7.9
307.00958	3.2
307.19162	100.0
308.19537	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	308.187
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
50.38132	0.4
58.02972	1.4
66.06564	0.3
71.42355	0.4
76.94481	0.3
80.96530	1.0
95.05050	0.8
97.06612	0.5
97.29712	0.4
100.31607	0.3
109.06625	0.7
114.00761	0.3
114.09257	6.5
116.07188	100.0
117.07537	2.1
158.08174	0.5
165.12917	0.8
169.01540	0.4
175.35217	0.3
279.63141	0.4
290.18613	0.3
308.18704	28.8
309.19028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01383	70.4
69.30952	3.5
69.31364	4.7
71.01023	2.2
71.01389	32.2
72.99311	3.3
73.02936	7.4
76.85616	1.3
77.03190	1.4
83.01353	2.5
85.02960	17.6
87.00883	2.1
89.02455	26.9
95.01387	1.7
99.00889	5.0
101.02439	21.1
101.06097	2.1
109.02956	2.0
111.04514	3.0
113.02431	12.3
117.01931	4.0
119.03517	13.3
121.02935	2.9
122.03740	5.9
123.04614	1.2
125.02508	1.5
129.01949	2.1
129.05560	11.6
133.02933	1.5
135.04533	1.7
145.01456	6.1
147.02980	1.4
147.06648	21.3
147.86205	1.3
161.02448	2.3
161.04541	4.1
163.04002	1.8
176.58286	1.3
177.82933	1.4
219.00723	3.3
232.98579	2.2
247.00203	1.5
308.99799	4.0
309.11932	100.0
310.12292	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	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.7
70.76842	2.0
71.01383	21.2
72.99317	3.4
75.29812	0.9
83.01413	0.9
89.02425	1.2
89.03992	1.5
96.96044	2.1
97.26473	1.0
115.00385	38.5
117.03490	4.2
125.02463	3.4
133.01445	73.6
134.03749	100.0
135.04094	2.3
145.01453	2.4
149.06084	3.7
153.05695	1.5
169.01440	4.5
193.05072	67.1
194.05420	3.3
202.18246	1.1
239.89058	1.1
294.74524	1.0
309.06259	3.4
309.56317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
57.98038	0.6
59.01379	2.4
69.13029	4.1
69.13416	1.0
73.02953	14.0
75.78623	0.8
77.98981	0.6
83.85184	0.6
85.02959	43.5
86.03258	0.8
99.00894	3.2
101.02464	0.6
103.04016	3.6
107.05112	0.6
108.02183	1.0
117.01961	9.4
119.05051	1.0
121.03013	0.9
123.00880	0.7
124.01633	1.5
125.02451	2.7
129.01962	41.5
133.03026	1.0
134.03757	1.4
135.04541	28.5
136.04887	1.2
147.03017	100.0
148.03362	1.6
159.58072	0.6
161.02473	1.2
169.01418	2.1
179.03525	14.6
180.03885	0.9
213.57597	0.8
287.04977	2.7
309.06235	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70202	0.5
69.77602	0.9
71.01387	1.0
73.02953	12.0
85.02959	48.4
86.03267	0.9
91.08311	0.5
96.96021	0.8
98.21930	1.0
99.00885	3.6
103.04020	4.6
107.05030	0.6
108.02157	1.1
117.01963	10.8
124.01628	1.2
125.02471	2.1
129.01959	46.2
130.02248	1.2
133.02968	1.8
134.03773	0.7
135.04539	23.5
136.04942	0.7
142.67911	0.5
147.03014	100.0
148.03389	1.2
161.02496	6.2
169.01447	1.8
179.02043	1.1
179.03525	15.5
180.03893	0.9
219.10216	0.6
233.04004	0.6
265.20044	0.5
279.96732	0.6
283.96967	0.6
286.56287	0.7
287.05038	0.8
309.06488	1.1
309.09918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
60.70063	1.2
62.98030	1.0
64.92454	1.2
69.51616	4.3
69.52022	2.2
72.99317	2.1
83.01393	1.5
95.07984	1.3
97.27390	1.1
98.16889	1.2
99.00888	29.3
101.02458	5.2
117.01960	15.4
117.60302	1.1
119.05061	10.0
121.70731	1.3
145.01445	100.0
146.01778	2.6
163.02516	85.3
163.03986	8.2
208.91977	1.0
260.35248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61381	1.2
55.01888	2.5
57.03437	2.7
59.01373	1.1
69.58035	4.4
71.01404	1.4
72.99321	2.8
80.03561	1.1
99.00886	32.7
99.01545	1.9
101.02439	5.7
117.01951	15.6
119.05038	11.4
140.38329	1.1
145.01445	93.8
146.01808	2.5
163.02515	100.0
163.03987	10.0
164.02873	3.0
210.09267	1.4
260.36954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70438	0.7
55.01876	2.7
57.03448	3.5
66.68852	0.7
71.01376	1.2
71.14843	0.8
72.99321	3.3
73.02931	0.7
83.01398	2.2
90.50533	0.8
98.22671	2.3
99.00891	37.0
101.02457	6.6
113.36446	0.8
115.48568	0.6
117.01961	14.0
119.05037	15.0
145.01442	100.0
146.01791	2.1
163.02510	7.8
163.04028	16.5
186.24237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.6
57.03449	3.8
59.30748	1.1
69.58116	4.5
72.99299	2.8
83.01337	1.3
87.59297	1.2
99.00889	32.4
101.02431	7.6
111.56798	1.1
111.89988	1.2
117.01965	13.7
119.05043	12.9
120.70632	1.0
132.29843	1.1
145.01447	94.1
161.02487	2.4
163.02512	100.0
163.03986	7.5
164.02847	1.3
164.46442	1.3
322.57532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
69.38555	0.4
69.51945	1.0
69.52337	0.8
71.01384	9.9
72.99323	3.5
73.99616	0.5
76.79723	0.4
87.00885	4.3
91.26788	0.4
98.21915	0.9
105.03495	0.6
111.22934	0.4
115.00385	2.2
121.02993	0.9
121.27486	0.5
132.02188	1.5
133.02965	28.2
134.03699	0.8
135.04532	8.7
147.03001	5.4
161.02455	100.0
162.02817	4.1
179.03528	3.8
182.63083	0.5
200.59804	0.4
235.27867	0.5
277.03580	0.5
294.09097	0.6
333.88522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
57.03455	3.0
58.00588	0.8
58.17263	0.7
59.01382	100.0
60.01716	0.7
69.98310	2.1
71.01385	32.9
71.05029	2.0
72.99306	3.4
73.02967	2.8
78.95951	0.8
83.01388	3.6
83.05041	1.2
85.02962	7.7
85.06644	0.9
87.00880	1.7
89.02449	28.9
95.01413	2.3
99.00889	17.8
99.02598	0.7
101.02454	25.7
101.06113	4.8
103.74844	0.6
109.51676	0.7
113.02452	11.5
117.01929	6.1
119.03517	14.0
119.05028	8.1
120.54662	0.7
125.02407	1.0
129.05586	14.3
131.02089	1.0
131.03517	0.9
141.00436	0.9
143.03526	0.7
145.01436	48.9
147.06645	15.9
149.04678	0.9
161.04596	2.5
163.02518	3.8
163.04033	8.0
164.96404	0.9
179.05643	1.8
205.04866	0.7
207.75328	0.8
224.95773	1.1
237.88335	0.9
249.09807	1.1
266.96802	2.1
267.10944	1.5
284.62946	0.8
308.98016	2.5
309.11935	88.4
310.12274	4.5
325.84491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1196
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01888	2.1
56.99814	0.7
57.03446	1.9
59.01384	96.1
60.01745	1.3
63.07748	0.6
66.83961	0.6
70.73994	0.8
71.01389	35.6
72.99320	4.2
73.02961	2.2
77.55718	0.7
83.01408	2.9
83.05026	1.3
85.02958	7.2
87.00916	1.3
89.02452	33.9
95.01412	3.1
99.00894	7.8
99.78439	0.6
101.02457	27.7
101.06091	2.5
102.02814	1.1
108.79473	0.7
111.04531	1.5
113.02462	14.4
114.93329	0.7
117.01946	2.9
119.03513	17.9
119.05029	3.1
125.02456	0.9
129.05595	15.0
131.03523	0.9
143.03529	1.0
145.01447	21.4
147.06660	10.8
149.04578	1.0
161.04559	1.6
163.02576	1.2
163.04041	2.9
171.38490	0.7
179.05562	1.5
190.94313	1.6
196.71564	0.7
295.47916	0.7
305.94223	0.7
308.99170	2.2
309.11945	100.0
310.12292	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	309.2076
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
50.98689	5.9
55.77532	7.7
56.46817	6.2
59.01385	10.1
62.52627	6.4
65.70558	6.3
69.68586	13.6
69.68969	18.4
77.57336	6.3
77.57809	8.0
96.96056	9.6
107.08656	18.0
111.47004	6.6
114.27421	8.4
119.08696	17.7
147.86667	6.9
171.10283	77.4
183.10255	6.9
185.11852	8.5
229.19579	10.9
261.18497	16.8
263.20328	9.6
273.18622	45.9
279.19498	8.2
291.19653	50.5
309.17453	12.3
309.20728	100.0
309.57556	7.1
310.20880	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.67948	1.0
55.01876	1.4
57.03442	3.0
59.01377	2.2
71.05019	17.3
71.31475	1.2
83.05027	1.0
95.05000	1.1
97.06584	5.9
97.07132	0.9
107.05039	2.2
121.10237	13.5
123.08182	2.5
125.09738	13.9
137.08745	1.8
137.09732	20.7
141.12839	1.7
153.88138	1.0
157.44243	1.1
171.10297	42.1
181.12242	1.3
185.11844	16.0
197.11877	3.1
207.14018	1.9
209.11794	1.9
211.13470	1.5
218.59966	0.9
219.13968	2.9
223.13339	1.1
235.17102	1.4
237.15024	2.7
247.20634	2.3
251.16536	44.8
252.16864	3.1
263.20135	1.1
273.18689	2.2
291.19678	100.0
292.20053	6.7
309.20734	76.2
309.24478	1.6
310.20978	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36582	7.1
59.01366	9.9
63.93178	7.8
70.16098	7.5
87.60577	7.5
94.74603	7.9
97.06581	15.1
111.08189	13.7
119.08698	16.4
121.10269	36.4
125.09735	33.2
151.04042	10.2
152.08478	30.7
154.60698	8.4
171.10280	54.7
185.11853	37.9
197.11847	25.2
209.11819	11.4
209.15508	31.1
211.13446	18.3
262.88141	8.2
273.18521	12.2
275.20218	12.7
291.19687	100.0
309.17053	42.9
309.20709	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03442	3.0
59.01380	2.5
69.37495	7.3
71.05026	18.6
80.32131	1.3
97.06609	6.3
106.90109	1.3
121.10251	10.6
123.08154	2.2
125.09716	9.0
137.09735	22.3
154.25052	1.3
171.10289	40.6
172.10631	2.1
185.11852	17.2
207.13782	2.1
207.17494	2.0
209.11855	2.0
219.13884	2.1
235.17049	2.1
237.14908	2.1
251.16556	41.0
252.16798	2.7
273.18509	1.7
291.19684	100.0
292.19998	7.3
309.17267	3.2
309.20709	67.2
310.21158	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22964	0.9
57.03458	2.0
59.01364	1.1
67.01907	1.4
70.57140	1.8
83.05025	1.6
88.66343	0.8
90.13004	1.0
93.07108	1.4
93.11292	0.9
97.06588	1.7
98.21992	1.1
98.85611	1.0
107.81762	0.9
111.08180	1.9
121.10254	12.9
125.09740	7.4
137.09732	4.0
147.08221	1.5
167.14406	1.2
171.10286	11.5
185.11858	11.8
197.11862	2.7
209.11835	2.0
211.13422	62.9
212.13794	2.9
223.13264	1.0
273.18582	1.6
291.19699	100.0
292.20032	9.2
309.17383	1.2
309.20648	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25620	0.9
60.61195	1.0
60.98105	1.0
71.05054	1.1
76.99509	1.0
79.16354	0.9
80.02662	1.1
81.03490	1.7
83.04996	1.2
87.25223	1.0
97.02949	2.7
97.06588	1.2
99.00889	2.9
111.08180	2.0
119.08636	1.3
125.09715	3.1
131.15887	1.0
137.09767	1.8
151.04007	8.1
151.07593	2.4
152.08446	26.2
162.10472	1.3
163.11273	5.1
165.09209	1.9
165.12859	7.0
171.10303	4.6
177.33340	1.0
179.14435	3.2
181.12375	4.2
185.11891	2.3
193.08720	1.9
193.15956	2.5
197.11832	8.0
208.11069	2.5
209.11963	2.5
209.15482	20.7
219.66135	1.3
223.13431	3.1
247.20720	8.6
252.10023	3.9
262.18881	1.3
265.18173	3.9
273.18570	2.9
291.19666	100.0
292.19980	8.0
309.17075	35.3
309.20712	84.7
309.24429	2.8
310.17340	2.6
310.21140	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	1.6
69.03468	1.7
73.02955	1.3
98.22678	2.2
111.08164	29.2
112.08507	1.0
122.25425	0.9
127.07671	2.7
151.11263	1.2
152.08405	1.0
153.12807	2.1
158.75954	1.0
167.10742	0.9
167.14325	0.9
169.12367	7.1
174.21004	0.9
181.12346	2.1
183.13947	1.3
193.12361	1.6
197.11833	100.0
198.12204	5.3
199.13425	3.0
211.13409	9.8
221.11624	1.1
227.12886	2.6
263.20215	7.7
265.18008	2.4
291.19699	18.3
292.19824	1.3
309.17331	1.5
309.20715	31.6
310.20984	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22394	1.0
57.03444	1.0
57.11219	0.9
58.00615	1.0
59.01373	2.4
65.89941	1.0
69.03453	2.0
94.96936	1.0
97.06599	0.9
109.06575	1.5
111.08168	37.2
127.07643	1.7
153.12898	1.6
169.12326	6.7
181.12379	2.4
183.13942	1.1
197.11842	100.0
198.12199	5.3
199.13411	3.5
209.15555	3.7
211.13394	9.3
223.17091	1.1
224.90508	1.0
227.12886	3.9
251.16539	1.3
263.20111	5.5
265.18118	3.9
273.18613	2.0
291.19687	21.1
292.20099	1.8
309.17395	1.7
309.20721	41.3
310.21021	2.6
311.52124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24923	0.7
59.01385	0.9
63.97569	0.8
83.05052	0.9
85.92303	0.7
86.13645	0.7
95.05062	1.1
97.06593	2.2
111.08118	0.8
113.09782	3.9
115.07665	2.3
125.06093	1.0
126.06906	2.0
132.12451	0.8
139.11296	1.5
141.09206	1.8
154.09897	0.9
165.12869	3.8
167.14453	2.4
181.12378	5.0
183.13945	1.8
193.12321	2.1
195.13889	1.5
211.13405	3.9
221.15538	1.6
240.13734	3.4
247.20689	4.9
265.21704	1.0
273.18655	4.3
281.21268	2.7
291.19678	50.1
292.20108	4.1
309.20749	100.0
310.21109	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51132	0.4
53.67732	0.5
57.03435	1.0
59.01381	1.1
71.01373	0.8
79.04669	0.4
83.05035	1.1
93.07076	0.6
93.53314	0.5
97.02925	0.6
97.06596	1.1
109.06604	1.1
111.08169	3.0
125.09732	1.9
127.07600	0.5
127.11291	1.7
134.73006	0.4
137.09688	0.7
151.04034	0.5
151.11276	1.6
152.08456	2.1
153.09198	0.7
153.12842	6.1
155.10747	2.3
163.11351	0.5
165.12820	1.0
167.10785	1.6
168.98648	0.4
169.12329	1.4
171.10297	1.1
179.10800	0.8
179.14420	2.4
181.12375	3.8
181.36903	0.4
181.64740	0.4
193.16000	0.9
197.11832	5.2
199.13403	1.3
207.13896	3.2
209.15520	1.4
215.12840	1.0
226.12025	1.1
227.12881	1.3
228.13634	1.2
237.22176	0.6
241.14517	0.4
245.18941	0.6
247.20691	5.7
263.20093	0.7
265.21747	1.0
268.02823	0.4
273.18658	2.2
281.21280	1.7
291.19687	39.6
292.20001	3.5
304.58594	0.5
309.20728	100.0
310.17746	0.8
310.21106	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
58.00595	1.2
59.01374	4.2
69.03461	4.7
70.50903	1.4
70.51227	1.4
78.79227	1.0
83.05047	1.6
93.03477	1.1
94.07965	1.0
95.08668	2.2
97.02943	1.5
97.06609	2.3
107.08659	2.0
108.05840	1.7
111.08149	3.6
115.07707	1.6
119.08691	14.6
121.10207	1.4
125.09741	7.0
127.11288	1.9
135.08157	1.8
137.08755	2.3
137.09747	36.9
139.11281	1.7
148.08833	1.1
149.09831	1.3
151.04015	3.1
151.11293	3.0
152.08453	9.4
153.09183	2.7
155.10765	4.3
162.10544	2.5
163.11284	1.3
167.10817	5.5
171.10294	100.0
172.10623	4.7
183.10304	6.0
183.13882	2.2
185.11864	25.1
195.10320	2.1
197.11823	7.9
201.11400	8.0
209.15544	7.2
211.13448	2.9
213.11285	7.2
220.29475	1.0
225.14937	2.0
229.19649	2.2
247.17188	1.4
247.20670	2.6
251.16728	1.2
252.10181	1.3
263.20026	1.7
265.18213	2.2
273.18683	7.8
279.52576	1.2
281.17517	2.3
291.19684	46.1
292.19934	4.4
309.17087	16.2
309.20737	40.6
310.21042	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06669	0.9
57.03456	2.6
59.01379	2.8
69.03459	4.4
69.67139	0.9
70.91551	1.5
71.05038	1.7
76.01731	1.2
83.05046	3.3
85.29798	1.3
96.11210	1.2
97.02960	20.5
97.06608	2.3
111.08129	1.9
119.08697	1.1
123.08234	1.2
125.09731	2.9
137.09737	4.0
140.81804	1.2
163.11346	2.5
165.12859	8.1
171.10280	13.4
179.14442	1.9
181.12315	2.9
183.13951	1.9
193.12354	5.3
195.13913	4.2
209.11835	4.4
211.13400	1.5
221.11819	1.7
221.15515	3.8
223.13455	4.0
227.12918	6.2
239.12924	2.4
247.20692	6.8
251.16527	1.3
273.18680	3.2
291.19684	100.0
292.19937	8.9
298.53244	1.1
309.20740	76.7
310.21176	4.3
329.63229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01386	4.0
60.03754	1.3
80.02673	2.1
81.03458	2.5
83.01380	7.9
83.05041	4.3
93.03452	1.5
95.05009	1.9
96.96014	2.2
97.02946	1.7
97.06592	4.6
99.00893	1.9
109.02847	1.4
111.08179	3.1
123.04521	2.8
123.08165	5.8
125.06113	2.1
125.09727	10.9
137.09743	3.9
139.11301	9.9
146.91295	1.4
151.03987	4.4
151.07645	2.8
152.08427	9.4
163.11305	6.0
165.12823	13.8
165.50645	1.4
167.10794	8.2
171.10237	2.6
181.12335	5.4
183.14011	1.6
191.10751	2.5
193.15953	5.9
197.11803	3.2
207.10213	1.8
209.11853	50.5
209.15329	10.4
210.12157	3.3
211.13411	2.2
247.20702	14.9
248.21120	1.7
252.10037	2.0
265.21735	4.5
273.18512	4.2
281.21173	2.4
291.19672	100.0
292.20139	10.1
309.17093	18.2
309.20688	45.2
310.21030	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	309.2076
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03439	22.1
59.01375	10.2
61.98824	6.4
65.88961	5.1
69.03457	6.1
69.16260	11.5
69.16666	22.7
71.01382	10.5
80.20902	5.0
83.05030	14.8
96.96014	11.4
97.06538	9.6
108.36884	4.7
111.08168	7.6
113.09722	19.2
123.78504	6.4
137.09627	6.6
147.11757	6.6
151.04065	12.2
151.07663	6.7
151.11273	54.2
152.08450	38.3
165.12845	44.5
168.88304	5.2
179.10782	7.8
181.12398	72.8
191.10757	26.0
207.57141	5.7
209.11847	100.0
209.15408	33.5
210.12125	6.9
211.13443	11.2
247.20708	14.8
248.26675	5.9
252.10059	10.6
265.18036	8.1
265.21698	5.6
281.21088	7.4
291.19827	29.2
309.17075	67.7
309.20743	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	311.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	14.7
59.01373	6.7
61.37630	1.7
65.00322	5.8
67.01888	1.8
69.03456	3.8
73.02965	2.2
79.34868	2.2
80.53487	1.9
81.03481	2.1
83.01395	33.2
83.92087	1.8
84.19203	1.9
85.02953	6.0
88.74521	2.0
93.03459	2.7
95.01383	2.9
95.05030	23.9
97.02951	16.9
109.02946	2.7
111.00895	11.3
113.06120	3.2
119.05032	11.3
121.02972	8.1
123.00896	2.4
124.01677	2.9
125.01530	4.8
125.02454	100.0
126.02818	2.4
129.01949	2.6
134.03760	6.1
135.04604	3.4
137.02533	3.6
137.06099	23.0
138.03224	3.1
139.04013	2.5
141.01974	9.6
143.04958	3.6
151.00383	8.0
151.03979	3.9
151.07695	3.7
152.01137	8.9
152.70146	2.3
153.01953	10.4
155.23276	2.0
159.04556	2.5
161.02396	2.0
161.06094	8.3
163.00407	2.4
163.04018	17.0
163.65485	2.0
164.01164	12.3
169.01433	3.7
177.01985	4.7
177.05582	3.7
179.07179	11.4
181.01456	13.0
181.05132	4.4
182.02245	18.0
185.00964	3.9
193.05093	8.6
195.06647	7.7
199.90759	1.9
200.26376	1.9
203.03578	6.7
205.05095	41.6
223.06168	16.5
231.02980	9.2
249.04022	19.8
259.99658	12.1
267.05118	68.6
268.05225	2.7
271.80270	2.3
275.01932	7.8
278.00729	9.0
293.03131	5.2
310.28152	2.2
311.04459	11.0
311.07703	3.3
311.11392	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	311.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.38793	2.4
66.12510	2.3
71.01392	25.1
73.02949	5.3
77.21274	2.2
79.94907	2.5
84.70184	2.4
85.02956	9.9
89.02466	19.4
91.87375	2.2
99.00886	3.6
101.02464	16.5
101.03008	2.8
113.02470	11.7
119.03528	4.2
122.06114	3.5
149.04539	10.2
149.08234	8.8
150.05637	6.7
161.04564	8.8
168.01566	3.4
179.05611	4.0
231.06523	3.1
251.11423	9.6
311.13544	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	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.63794	0.9
71.01390	5.3
73.02943	3.0
83.01410	1.6
85.02951	3.9
89.02457	1.6
99.00883	2.3
101.02476	4.5
106.04568	0.9
113.02412	1.4
124.01676	1.3
125.02428	4.2
151.00352	1.7
161.04561	4.3
169.01410	2.9
178.99800	1.4
269.10388	4.1
293.03412	1.1
310.56287	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1138
Annotation	Deoxyanisatin
Peak:m/z	Relative Intensity
57.03458	2.5
58.13406	1.2
59.01376	4.5
60.64801	1.2
61.06251	1.2
69.03499	1.2
71.42867	1.6
77.61427	1.0
80.02638	1.5
83.05029	1.3
92.56538	1.2
93.03488	1.3
95.05028	2.9
96.96034	2.2
97.02959	35.5
97.06588	5.2
98.95596	1.4
123.08164	4.7
124.01685	1.7
125.02544	1.6
125.09726	2.7
134.03763	2.3
134.33945	1.1
136.45341	1.1
151.04044	3.3
167.63016	1.1
169.01448	2.2
179.14424	3.6
187.07626	2.2
205.12396	3.6
223.13416	100.0
224.13625	6.0
238.06433	1.7
249.11414	1.2
257.97299	1.3
267.12408	63.8
268.12683	2.8
283.09781	2.3
296.10593	2.4
310.83325	1.5
311.08856	6.0
311.11447	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	311.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54168	1.9
57.03452	11.1
58.00613	2.5
59.01382	13.4
69.03440	4.0
69.34016	9.2
71.01388	16.6
71.05032	2.6
72.10635	2.1
72.44612	2.2
72.99311	7.7
73.02955	31.7
79.05556	3.4
83.01388	6.4
83.05032	6.0
85.02958	6.7
87.04508	3.2
91.10862	1.9
95.01347	2.2
95.05029	12.1
96.83699	1.9
97.02963	8.0
98.03764	3.4
99.04538	10.2
101.02469	4.9
107.05030	3.5
107.08678	13.0
109.02954	12.5
109.06612	7.6
111.04532	5.7
111.08170	6.2
119.08646	4.3
120.05844	2.0
121.02968	2.7
121.06638	13.6
121.77082	1.9
122.03727	8.3
123.04504	7.4
123.08170	5.4
125.02441	5.6
125.06116	4.1
129.05588	3.3
132.05865	3.2
133.10263	2.5
135.04529	3.2
135.08153	17.2
137.02460	48.0
137.06071	6.1
137.09669	4.8
139.07655	26.1
147.08138	9.7
147.11772	12.1
148.05264	2.1
149.04530	8.6
149.06067	2.3
149.09718	7.3
150.06883	6.0
151.07654	6.0
153.05560	5.7
157.06523	3.7
159.08105	3.7
159.11827	3.8
161.02480	4.2
161.09691	2.6
162.06856	4.3
163.07642	4.1
163.11285	2.9
165.09204	9.3
169.01414	2.3
169.10205	8.8
171.08165	25.5
172.08868	6.2
173.09668	6.8
175.07680	3.4
175.11296	10.2
177.09267	14.0
177.12881	12.2
185.09692	3.8
187.11299	69.8
189.09212	2.9
190.10030	2.9
191.10808	3.0
193.08665	3.8
205.12349	100.0
206.12746	4.7
216.08168	2.5
219.10297	10.8
221.11824	2.4
231.10281	21.6
243.06488	2.5
249.11336	46.0
259.99628	5.9
267.12378	14.8
278.00705	2.4
293.10367	5.6
311.05649	14.7
311.11398	56.4
312.11462	2.4
325.34631	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	311.1139
Annotation	Triandrin
Peak:m/z	Relative Intensity
54.83443	0.7
59.01383	100.0
60.01736	0.7
69.44218	2.6
71.01383	4.5
73.02953	1.8
85.02966	2.6
86.73758	1.0
87.00870	1.6
101.02465	1.8
113.02466	1.0
122.47594	0.7
123.04519	1.4
132.02179	0.8
133.02972	1.5
134.03732	1.8
147.04567	0.9
149.04553	1.6
149.06097	2.6
161.04512	0.8
175.03972	1.9
179.07173	1.4
192.07974	1.2
193.05165	2.0
205.08815	1.0
237.04263	1.1
249.07674	0.8
249.11394	1.0
269.10321	1.5
311.11298	2.0
311.14746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31493	0.7
55.01878	1.2
57.84983	0.8
59.01383	100.0
60.01719	1.1
69.03475	1.0
69.31368	3.6
71.01390	10.9
72.99303	1.0
73.02949	3.6
78.95921	2.4
83.01407	2.0
85.02959	5.5
87.00882	0.9
89.02447	2.8
97.02962	1.0
99.00905	1.6
101.02443	10.2
109.02953	1.9
111.00842	0.9
113.02468	4.9
115.00332	0.8
119.03513	0.8
119.05010	0.9
122.62676	0.7
125.00112	1.9
125.02366	0.8
131.03519	2.9
133.01456	1.6
133.02910	2.0
134.03751	1.6
134.04706	1.4
135.04538	6.4
143.05032	1.4
144.46690	0.7
145.01360	1.2
149.02663	1.4
149.04565	21.2
149.06015	2.9
150.05617	1.5
151.96732	0.8
152.93640	1.6
153.03241	1.4
161.02480	2.4
161.04556	8.2
161.05959	1.5
163.02451	0.8
163.03960	1.5
168.91394	2.0
168.99870	0.9
171.04588	1.4
177.05553	6.4
179.03458	2.2
189.05566	10.2
207.06480	1.0
221.04599	2.3
229.00250	1.7
250.09698	0.9
251.11363	21.9
268.89810	1.0
290.63754	1.1
311.01053	0.9
311.07773	1.6
311.12610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1866
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
52.56334	0.6
59.01319	1.1
62.05264	0.6
69.08685	1.5
69.09107	4.2
98.21856	1.1
102.54633	0.8
112.17175	0.6
121.02956	1.2
121.03958	0.8
136.05202	1.1
167.14404	1.8
187.37341	0.7
207.17467	0.9
222.48766	0.7
223.20645	2.3
249.18550	3.8
267.19662	100.0
268.20087	8.0
275.16501	7.4
278.96783	0.7
293.17606	38.2
293.20483	1.6
294.18027	3.5
311.05676	1.0
311.18683	32.8
311.22104	4.9
312.19049	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	311.202
Annotation	Longithorone K
Peak:m/z	Relative Intensity
61.98810	0.4
69.24293	1.2
80.62314	0.2
92.92806	0.3
93.82243	0.2
98.21880	0.4
98.95599	0.4
119.94715	0.5
133.06602	2.5
149.09734	100.0
150.10072	4.9
183.01216	11.3
184.02054	1.4
197.02814	0.4
198.03574	0.2
208.68260	0.2
311.16870	21.4
311.20209	52.6
312.17151	1.6
312.20560	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.65487	0.6
58.00597	8.7
59.01366	1.2
61.98840	1.0
68.91821	0.6
70.69276	0.9
73.02949	1.4
83.03642	0.7
97.06607	0.7
109.06598	1.7
121.10247	0.7
125.09727	3.5
127.07660	4.8
127.11311	5.4
137.09726	1.0
139.11229	1.0
155.10809	2.1
165.09242	1.9
171.10268	4.4
183.10397	0.9
183.13911	19.9
184.14253	0.8
195.13893	1.7
199.09805	1.4
201.11342	34.7
202.11670	1.0
213.15013	5.3
223.13394	1.6
231.21201	0.8
241.14429	3.9
275.20236	4.1
293.21240	9.8
311.22302	100.0
312.22675	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	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03444	2.4
59.01360	1.8
70.96757	1.8
75.90907	0.9
92.38860	1.0
93.67509	0.9
99.08175	3.0
110.77778	1.0
113.09736	5.4
125.09704	1.0
129.09239	10.1
139.11343	2.9
148.40384	1.0
151.11436	1.2
153.12978	1.3
163.11398	1.0
169.12334	2.8
171.10312	7.7
176.14165	1.2
181.12376	5.9
183.13869	2.4
193.12372	3.8
197.11884	13.7
199.13448	7.4
211.13443	25.3
212.13860	1.4
249.22351	1.4
275.20096	1.4
293.21277	28.4
294.21460	1.3
311.22321	100.0
312.22601	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	311.2231
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
57.03441	4.6
69.13575	11.6
69.47130	1.9
77.59927	1.9
79.95753	3.5
98.22625	4.6
118.57940	1.9
125.09736	3.4
141.12910	2.0
141.71899	1.7
149.09700	2.4
155.10791	19.1
170.00475	2.4
173.91235	1.9
183.01224	42.0
184.01762	2.3
185.11826	11.3
197.02817	9.6
197.11868	2.1
214.76410	2.0
275.20233	2.2
293.21246	34.6
294.21643	2.9
311.16910	100.0
311.22183	13.3
311.25705	3.6
312.17258	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03455	0.6
71.03416	0.8
80.32371	0.5
97.06608	0.7
109.75201	0.5
112.03495	0.6
123.08170	1.1
125.06052	0.7
125.09731	3.5
139.11273	1.4
141.09224	1.9
141.12843	1.1
153.09227	1.5
155.14423	2.2
157.12250	0.9
157.17438	0.5
169.12370	0.6
171.10281	2.3
200.10498	2.5
239.23624	0.5
249.22256	2.4
265.21762	1.3
267.23297	1.3
275.20038	1.2
293.21301	6.8
307.87494	0.6
311.22290	100.0
312.22629	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	311.2228
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
57.03432	0.7
59.01389	1.0
64.55322	0.5
64.96941	0.5
71.05029	0.7
87.37100	0.5
110.67192	0.6
113.09700	0.6
125.09732	0.7
129.09210	1.4
139.11293	1.3
151.11296	0.5
154.10010	1.4
167.14445	0.8
171.10341	1.8
177.12817	2.4
181.12531	0.7
183.13992	0.6
195.13916	2.3
196.14717	1.0
197.11876	1.8
199.13348	0.8
211.13441	5.0
249.22136	3.0
275.20233	0.8
293.21234	70.4
294.21622	5.3
311.22293	100.0
312.22586	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	311.2232
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
53.32803	0.8
57.03448	1.4
57.22515	1.1
58.00607	1.0
59.01388	1.7
69.03463	0.8
71.03613	1.5
78.41220	0.9
91.77787	0.8
97.83620	0.9
111.08115	1.4
113.06930	0.8
113.09743	3.1
118.35686	0.8
121.10229	1.6
125.09739	1.1
127.11297	3.2
129.09218	3.3
137.09767	1.1
139.11304	7.9
151.11250	0.9
155.10828	1.9
167.10826	1.2
169.12291	1.6
171.10289	34.2
172.10641	1.2
181.12425	3.0
183.10266	2.5
183.13962	1.7
185.11897	5.5
193.12297	1.4
197.11865	9.1
199.13406	5.4
201.11343	6.4
211.13406	15.5
212.13821	1.1
225.21535	0.9
275.20163	3.8
293.21255	17.5
294.21539	1.3
311.22314	100.0
312.22665	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99847	0.5
57.03434	0.9
59.01365	0.7
61.66221	0.5
62.84700	0.5
69.67245	1.7
71.04988	0.8
73.16101	0.5
83.05023	0.5
88.46600	0.4
97.02931	0.6
97.06535	0.9
98.21904	0.7
111.08162	0.7
113.09725	1.9
121.10195	0.6
125.09734	2.5
127.11293	1.2
137.09743	0.7
139.11308	8.3
141.12811	0.8
150.10469	0.6
155.10678	0.9
162.76096	0.5
163.11320	4.8
165.12749	1.2
167.10738	1.8
167.14421	1.3
168.11542	1.6
171.10286	13.6
173.90964	0.5
181.12337	0.6
182.13104	1.3
185.11803	0.9
197.11885	0.5
201.11247	0.8
211.13503	2.6
238.09268	0.5
249.22218	4.3
265.21957	0.6
275.20068	1.3
281.21262	0.5
293.21265	80.8
294.21588	6.3
311.22308	100.0
312.22626	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	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.56557	0.3
57.03455	0.4
57.12200	0.3
59.01365	0.4
61.68718	0.3
62.21881	0.3
62.43304	0.3
70.71150	0.4
97.06580	0.6
99.08173	0.5
113.09731	0.9
115.07666	1.1
127.07668	0.8
128.08437	1.1
141.09244	0.3
167.14427	4.6
183.13884	3.1
195.13913	12.2
196.14326	0.5
211.13359	0.9
213.14944	1.8
242.15254	1.4
248.32599	0.4
249.22328	0.5
265.21881	0.9
267.23267	0.5
275.20020	0.6
283.22815	0.7
293.21240	8.8
294.21759	0.7
311.22305	100.0
312.22592	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03455	1.0
61.98819	3.5
69.18478	3.7
69.18884	2.1
94.92536	1.1
119.94701	3.7
119.97519	0.9
133.47388	1.0
168.91397	1.1
170.88397	1.2
183.01212	2.6
249.22272	45.3
250.22636	3.8
293.21274	23.7
294.21646	1.9
311.16751	4.5
311.22308	100.0
312.22662	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	312.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	49.1
70.69066	60.2
71.01413	35.1
84.71919	29.2
102.04601	30.5
125.02477	39.5
131.49580	32.0
135.03070	48.7
145.12900	37.1
148.02161	36.2
149.04590	100.0
150.04846	39.4
151.04019	92.5
165.02917	52.4
169.01495	61.6
256.01892	32.4
271.51068	31.7
272.16168	30.2
313.06155	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	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78080	0.7
50.85007	0.6
59.01382	8.7
61.80869	0.7
69.97977	1.8
69.98339	1.2
71.01390	12.8
72.99313	2.7
75.00886	1.1
85.02957	1.7
89.02443	5.9
101.02451	2.5
109.02973	1.1
113.02452	2.3
115.00383	9.4
119.03539	2.3
119.13860	0.7
123.00868	1.1
123.04519	3.4
124.01720	1.6
125.02454	3.3
133.01447	13.8
134.03728	0.7
135.04539	100.0
136.04865	3.0
137.26707	0.7
143.03540	1.2
151.00418	1.0
151.04018	1.2
151.06139	2.9
153.05600	12.0
167.03500	2.0
169.01440	4.3
179.03493	2.2
179.05630	2.2
197.04546	12.6
241.03601	3.3
266.74680	0.7
295.04596	0.8
313.05670	2.4
313.11435	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	313.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05822	0.5
59.01377	4.1
70.94297	0.6
71.00989	0.4
71.01384	11.7
72.99330	1.2
75.00892	0.9
83.26811	0.6
85.02960	1.5
89.02477	2.6
95.01418	0.5
101.02436	1.5
107.01327	0.6
107.05058	0.7
109.02976	1.4
113.02454	1.5
115.00385	8.7
123.00902	1.5
123.04542	3.9
124.01652	2.1
125.02458	4.5
133.01442	10.5
133.02972	1.1
134.03775	1.5
135.04536	100.0
136.04874	3.8
136.98889	0.6
137.02417	0.7
151.00313	1.2
151.03993	1.4
151.06050	0.8
153.05594	15.7
165.15427	0.6
167.03494	2.9
168.00645	1.6
169.01460	6.6
179.03583	1.4
179.05733	0.9
197.04564	10.9
211.02509	1.7
214.07732	0.6
223.02524	2.3
241.03560	6.0
283.02328	0.7
295.04520	0.7
313.05557	5.3
313.11371	1.1
314.05725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	55.1
69.78031	91.9
69.81564	27.3
73.02973	29.7
85.02956	29.5
117.01908	47.3
123.04524	35.9
151.03998	71.1
156.99957	95.8
168.01469	41.0
186.02640	60.2
196.05782	44.9
271.08026	61.3
296.07379	52.7
313.06857	44.1
313.10165	100.0
331.47412	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Sylpin
Peak:m/z	Relative Intensity
84.79098	0.2
86.26144	0.2
120.02258	0.3
121.02969	100.0
122.03305	3.0
180.05774	0.7
181.06618	4.7
207.98857	0.3
225.05608	7.2
226.05975	0.4
243.06732	0.2
256.03693	0.2
269.08298	0.4
283.02536	0.3
313.07214	14.6
314.07709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08307	1.1
57.55266	1.1
59.01386	1.6
69.53129	5.7
75.00910	1.3
79.95742	2.1
92.02671	2.4
95.01363	1.4
99.00896	2.6
108.02174	6.4
117.03450	2.1
120.02190	2.1
121.02971	2.2
130.04324	1.2
145.06610	2.7
147.04573	1.6
152.35397	1.4
161.02466	24.3
164.03529	5.9
173.06079	3.7
175.04047	1.6
185.99614	1.7
189.05585	19.4
190.06371	4.6
191.07069	1.5
205.08746	4.4
222.49731	1.1
233.15547	1.6
237.11346	39.0
238.11816	3.0
249.07678	3.9
258.64212	1.3
269.98117	3.5
278.02905	1.2
281.10333	100.0
282.10718	5.5
283.02429	3.1
283.05719	1.3
284.06482	1.2
297.97610	2.9
298.04666	2.4
312.99829	4.4
313.07129	12.6
313.11139	5.4
313.99890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1296
Annotation	Viridoside
Peak:m/z	Relative Intensity
57.03460	17.2
59.01384	100.0
61.64128	2.0
69.36106	8.8
71.01395	17.6
71.03888	2.1
73.02936	4.2
75.00877	3.8
81.03455	3.1
83.01369	2.7
85.02948	16.1
89.02398	2.6
92.25744	1.8
95.01366	2.5
95.05031	7.5
97.02949	4.7
97.06602	9.6
98.14980	1.7
99.04527	3.0
101.02457	3.9
107.01385	3.3
107.05032	8.0
109.02980	2.5
109.06611	2.9
111.08172	2.8
113.02449	5.7
113.06024	2.0
121.03027	2.5
121.06590	4.6
122.03747	2.3
123.04520	3.4
123.08174	5.9
124.01640	9.9
124.05267	2.1
125.02464	19.8
133.02995	5.1
135.03030	9.1
135.04559	9.5
136.98730	2.2
137.06082	5.6
137.09717	3.0
139.00410	3.0
139.07651	8.3
140.01181	3.0
143.03506	8.2
147.08209	3.3
147.09822	2.2
149.02512	2.1
149.09723	10.5
151.03996	20.3
151.07668	5.4
152.04767	3.8
152.07188	2.4
153.01984	8.2
153.05595	2.6
154.29562	2.0
161.04669	3.7
164.98306	1.9
165.12843	4.9
166.06265	3.2
167.10838	2.9
168.00633	4.3
168.04219	2.2
169.01439	29.0
175.04008	3.1
177.05714	2.0
180.91087	1.9
189.12837	2.4
191.10782	23.3
193.01379	5.4
193.08739	2.3
197.04578	4.5
209.11838	28.6
223.02525	5.5
235.09746	3.1
241.03461	1.9
253.10832	38.3
283.02548	5.3
295.04614	6.9
298.04794	3.7
313.05649	12.3
313.09616	3.8
313.12918	90.7
314.13214	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	313.1448
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
51.14716	0.4
53.42966	0.4
60.90216	0.5
72.59221	0.5
92.82977	0.5
118.04299	0.8
132.02211	1.0
145.02962	1.5
160.60062	0.5
161.02467	1.1
162.03175	1.4
172.08992	0.8
181.06554	0.7
185.06078	1.9
188.08391	0.6
189.01923	4.3
190.02731	4.5
198.06902	2.0
199.07663	31.4
200.08020	2.6
201.01993	0.5
201.05629	0.7
203.03510	4.2
222.01813	0.8
225.05537	3.6
226.06297	1.6
227.07143	5.9
229.05063	11.7
230.05598	1.8
243.06616	31.4
244.07355	10.7
245.07661	0.6
295.23111	0.8
313.14468	100.0
313.23764	3.8
314.14810	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	313.1788
Annotation	E-64c
Peak:m/z	Relative Intensity
61.21813	0.8
62.18954	0.7
67.05547	0.9
79.05560	0.9
81.98094	0.8
93.03470	12.8
94.16962	0.8
106.43831	0.8
107.05045	2.4
112.63416	1.0
121.06618	1.5
125.29594	0.9
145.67363	0.8
147.08139	3.5
148.01456	1.1
193.12350	1.2
215.10590	4.3
217.12080	7.2
222.07028	0.9
227.18083	3.2
235.13095	2.0
245.19144	5.7
247.09544	2.6
249.11102	1.9
272.13989	0.8
293.15356	1.1
295.16846	1.2
313.17871	100.0
314.18204	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.71964	0.4
74.03926	0.3
97.06603	0.4
105.54755	0.3
121.02983	0.6
125.06840	0.4
125.09764	0.5
127.11304	1.1
141.12901	0.6
155.10799	3.0
157.12370	0.6
171.10294	4.8
267.23434	0.4
277.21707	0.6
283.02533	0.4
295.06177	1.2
295.22839	7.6
296.22980	0.7
303.65057	0.3
311.22290	0.9
313.23859	100.0
314.24207	8.0
323.12961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.00418	0.4
50.74746	0.4
51.66609	0.3
58.00599	2.5
59.01364	0.9
66.65353	0.4
67.19460	0.4
69.23613	1.6
76.61335	0.4
87.05619	0.4
97.06590	1.0
99.08162	22.0
100.08489	0.5
101.09715	0.8
113.09773	0.5
127.07664	3.5
129.09230	22.6
130.09505	0.8
136.61389	0.4
182.63962	0.4
183.13910	45.3
184.14235	1.9
193.76881	0.4
195.13907	4.1
213.15018	0.4
259.51544	0.4
277.21768	3.2
283.02573	1.1
289.91803	0.4
295.22787	9.5
296.23224	1.2
310.89844	0.4
313.23856	100.0
314.24191	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	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.63714	2.5
61.98835	10.1
69.74580	7.5
97.95235	3.1
98.22661	4.1
112.98794	3.4
121.02970	3.5
125.09734	4.7
127.11286	7.1
155.10774	3.1
165.09286	3.8
170.88400	8.9
170.91153	2.9
171.10265	6.0
197.90445	3.0
201.11325	31.9
230.05244	3.3
254.85713	6.1
258.49524	2.9
277.21744	3.6
282.87653	3.2
283.02524	5.8
295.22928	7.3
305.15503	3.1
309.15955	3.2
313.07397	4.3
313.23874	100.0
314.24292	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	315.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81158	0.3
59.01358	0.7
63.83781	0.3
64.49313	0.3
67.82941	0.3
69.16370	1.6
121.02976	0.6
132.02176	0.9
144.02122	0.7
149.02441	0.3
160.01649	1.3
172.01672	1.4
188.01149	0.9
197.11813	0.6
199.09653	0.3
200.01102	2.6
214.99905	0.6
216.00644	4.6
226.99818	0.7
228.00641	0.9
230.99220	0.5
237.20401	0.3
242.99373	2.2
244.00108	3.7
255.06705	0.4
270.98859	1.3
271.06137	0.4
271.99747	0.6
273.17102	0.5
282.98892	0.5
286.98264	0.6
287.01926	0.4
298.98300	1.5
299.99142	100.0
300.99481	5.4
315.01505	46.6
316.01770	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	315.0149
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
59.01365	0.7
69.49860	0.3
71.14351	0.4
75.47372	0.4
82.38380	0.3
84.21040	0.3
121.02982	0.8
125.02472	0.6
144.02188	1.0
155.10757	0.6
157.22958	0.4
160.01637	1.4
172.01677	1.8
188.01164	1.8
197.11797	1.4
200.01215	3.1
214.99939	0.4
216.00621	5.2
226.99849	0.9
228.00601	0.9
240.04147	0.4
242.99361	2.8
244.00143	3.2
256.03793	0.4
270.98859	1.2
271.06204	0.4
271.99530	0.7
282.98785	0.5
287.02151	0.7
298.98395	1.4
299.99139	100.0
300.99478	6.7
315.01501	44.3
315.12299	1.0
316.01752	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	315.0514
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.70875	0.3
59.01379	0.7
60.37597	0.3
65.00330	11.5
71.32385	0.3
82.00619	0.3
95.01399	0.3
96.28007	0.3
108.02184	0.6
108.99326	0.9
110.00080	1.5
111.00888	0.7
115.39625	0.3
116.84357	0.3
117.46568	0.3
119.01378	0.6
123.00851	0.6
124.01634	0.4
124.51309	0.3
124.98844	0.5
125.02468	1.2
133.02936	2.1
134.03786	2.1
135.04460	0.4
136.98813	12.3
137.99557	0.3
139.00401	1.2
146.03764	0.4
148.18942	0.3
149.99590	1.0
159.04468	0.7
163.00349	0.5
164.01111	0.9
165.99109	2.0
166.99879	0.8
168.00693	0.5
169.01431	1.3
171.04581	0.5
172.05321	1.2
173.02455	0.9
174.03224	1.6
175.04021	1.0
183.04480	0.4
185.02402	0.6
187.03993	0.8
188.04773	1.1
190.99918	0.5
199.03981	2.2
200.04745	2.0
201.01979	4.0
202.02733	2.0
203.03616	0.8
211.03981	0.5
213.01956	1.2
214.02811	0.5
215.03519	1.3
216.04279	2.4
227.03557	2.5
228.04305	2.6
230.02258	1.0
240.02771	0.7
243.03021	3.2
244.03766	1.1
255.02997	1.6
256.03693	0.5
259.02719	0.7
271.02499	1.0
272.03256	1.7
283.02576	0.9
287.01956	3.1
299.01938	2.2
300.02759	100.0
300.99881	0.3
301.03104	6.0
304.83899	0.4
311.90320	0.3
314.97589	1.0
315.01529	5.0
315.05075	45.3
316.02039	0.7
316.05417	3.9
316.08908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18213	2.0
55.01882	2.3
57.01683	1.8
63.11913	1.8
68.99825	1.9
69.06190	14.2
71.01397	5.3
76.26353	1.9
79.11373	2.0
82.53371	2.0
83.01405	14.4
85.02923	2.0
93.03436	1.9
95.01393	4.9
97.10799	1.9
99.00893	5.2
106.04292	8.8
107.01430	2.5
107.08681	55.0
108.02187	3.2
109.03003	2.1
109.06598	2.5
111.00901	88.6
111.01669	4.5
112.01192	2.1
117.03355	1.9
119.08688	7.6
121.02976	4.2
121.06570	3.2
122.03757	5.9
122.37992	1.8
123.00909	5.6
123.08133	3.7
124.01669	5.9
125.02467	18.3
125.09744	4.4
134.03772	3.1
135.08180	41.9
137.02425	3.3
137.06075	4.1
137.09724	10.9
139.07645	3.5
146.07373	12.1
147.08191	18.1
149.06110	3.4
151.07681	8.1
153.09222	14.1
160.43428	1.9
162.03133	2.3
163.07672	56.9
165.05621	12.3
165.09248	19.2
166.06349	4.2
166.99841	2.2
168.00731	3.1
169.01463	17.2
176.04770	2.7
178.03577	1.9
179.07147	3.2
181.07146	1.9
181.08734	51.7
191.07161	100.0
192.07547	3.7
200.38708	1.9
201.01810	3.0
209.08212	63.1
211.02522	3.3
225.07718	44.6
227.09264	4.1
235.81673	2.0
253.07199	58.5
254.07417	3.4
273.00787	1.9
275.02026	7.8
297.02808	4.4
297.06192	86.7
298.06589	6.0
300.99844	9.8
314.41196	2.0
315.04190	2.6
315.07349	39.2
316.03351	22.9
316.06985	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.95861	0.4
59.01379	2.9
65.03970	6.3
67.01881	2.3
69.03458	0.5
70.92195	0.5
71.01389	3.0
73.02959	1.3
81.03474	0.4
81.16756	0.4
83.01411	0.8
84.15775	0.4
85.02973	1.1
89.02454	0.6
91.01863	0.6
95.01396	2.5
96.95997	0.6
97.02943	0.7
99.00896	0.8
101.02455	2.1
104.82305	0.4
107.01412	1.3
109.02962	100.0
110.03322	2.5
113.02484	0.7
122.03733	0.6
123.00902	5.4
123.04467	2.0
124.01688	2.1
125.02462	9.1
125.87212	0.5
135.00894	4.7
136.98830	0.6
139.00368	1.5
140.01207	0.8
141.01929	0.7
151.00394	2.3
153.01953	67.1
154.02324	2.1
161.02472	0.5
161.04558	0.9
166.99893	0.9
168.00655	1.0
169.01431	10.7
173.02348	0.4
191.03523	0.7
201.01953	0.7
210.96562	0.6
211.02522	1.5
229.01422	0.8
231.02734	0.5
246.26401	0.5
255.05072	2.2
257.00885	0.6
275.01984	2.3
277.03232	0.7
300.99924	5.3
302.03494	0.4
307.02679	1.3
313.05447	0.6
315.07248	29.1
316.03381	12.5
316.07468	1.6
333.96713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.63459	0.8
59.01385	5.6
65.27428	0.7
66.84637	0.7
67.01887	0.7
69.27714	0.6
69.37706	3.1
71.01388	3.4
72.99307	0.7
73.02945	1.0
81.03461	1.1
82.70383	0.7
83.01397	0.9
83.06140	0.9
85.02962	1.8
92.21049	0.7
95.01374	2.3
98.21838	1.1
101.02459	1.4
108.02187	100.0
109.02985	36.9
110.03284	1.2
113.02473	1.5
114.98875	1.3
117.05560	3.6
123.00893	2.5
123.04564	1.5
124.01658	2.4
125.02460	6.4
126.27417	0.7
127.05178	0.8
131.08264	9.6
133.02876	0.7
135.00880	0.8
137.02446	1.0
151.04054	0.9
152.01172	67.0
153.01962	31.7
154.02255	0.8
156.99806	0.8
163.02620	1.0
163.04010	2.0
165.01947	2.7
166.99940	0.9
168.00589	1.3
169.01457	7.6
170.01369	2.8
171.11653	0.7
172.00995	3.5
173.10422	1.2
192.02625	0.7
194.07915	0.8
196.05750	4.7
211.02466	2.3
217.00377	0.9
221.23622	0.7
231.08426	1.5
238.06863	21.2
239.07190	1.1
255.09496	14.0
256.09488	0.9
257.01019	1.0
275.01987	1.7
299.27231	0.7
300.99960	2.5
315.07257	77.4
316.03342	6.5
316.07605	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12809	2.1
58.92357	2.0
59.01380	24.7
59.10230	1.8
60.11224	1.9
67.01873	3.0
71.01382	10.2
71.20688	2.8
72.99311	2.6
73.02934	2.6
75.00871	18.2
80.71002	2.1
82.46002	2.6
83.01350	2.7
85.02982	3.5
87.00873	2.5
89.02448	7.6
95.01379	6.1
101.02436	4.8
103.04871	1.8
103.70979	2.4
107.01389	10.5
107.05001	2.0
108.02184	16.1
109.02970	37.0
109.06556	2.0
111.00868	5.0
111.02023	3.7
113.02444	4.9
117.05592	11.9
121.49485	2.2
123.00898	20.6
123.04531	41.9
124.01677	13.3
125.02465	58.7
135.03000	100.0
135.04532	78.9
136.04070	7.7
137.02502	3.1
139.00357	4.6
140.01138	2.4
141.01967	2.5
147.04553	2.3
151.00414	10.6
152.01184	11.4
153.01971	40.7
153.04329	2.5
153.05576	48.5
159.06714	2.4
161.02437	7.1
166.99930	5.7
168.00656	9.5
169.01439	72.1
170.01851	2.0
178.90688	2.0
179.03540	3.8
183.04196	2.9
185.02574	2.7
189.01926	2.1
201.01913	2.2
203.03479	2.9
211.02495	15.1
214.00339	2.9
217.00194	3.9
225.04150	3.0
229.01379	6.0
231.03084	3.7
241.03554	14.9
245.00992	2.8
255.04898	2.8
257.00964	4.6
263.91568	2.3
271.04724	3.9
272.96051	3.1
273.00534	2.7
275.02023	10.6
297.06131	8.6
299.99158	2.3
300.92444	2.0
301.00003	19.5
314.97357	4.1
315.07230	93.7
315.99786	4.2
316.03387	49.6
316.07233	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	315.1086
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01382	3.1
67.01876	0.5
71.01385	4.5
72.00913	1.9
73.02954	1.7
74.58851	0.5
81.03440	0.8
82.23080	0.4
85.02939	2.5
88.04053	1.1
95.01397	2.4
97.02943	0.5
101.02467	1.6
106.04276	0.8
107.01398	1.6
107.05073	2.7
108.02173	0.6
109.02957	1.3
111.00895	0.5
113.02461	1.6
120.02187	7.3
123.00903	4.6
123.04509	2.3
124.01663	2.6
125.02457	10.5
127.19286	0.4
130.08733	0.7
133.03015	0.5
135.04549	1.4
136.01695	0.5
137.02455	0.9
138.03241	14.2
139.00378	1.6
140.01210	0.8
141.02049	0.5
145.02948	0.6
151.00351	2.2
153.01935	1.8
153.05588	100.0
154.05946	3.0
158.99753	0.8
161.02522	0.6
161.04576	1.7
163.03995	0.5
166.99911	1.1
168.00638	1.5
169.01439	11.8
171.99251	0.5
174.99135	0.6
179.03546	0.6
184.07236	0.5
201.02016	0.8
203.03510	1.1
211.02481	2.1
214.00330	3.5
219.77451	0.5
229.01395	1.7
238.06898	0.5
239.05585	0.6
241.03568	0.6
254.95695	1.5
255.05186	0.7
257.01010	1.3
271.04892	1.0
275.02023	2.5
281.11276	0.5
297.07550	0.5
299.99097	0.5
301.00003	4.6
307.02539	0.8
313.05737	1.0
315.01450	0.8
315.07132	8.4
315.16742	0.9
316.03336	13.4
316.07062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1089
Annotation	Taxicatin
Peak:m/z	Relative Intensity
53.54397	0.3
54.46140	0.4
57.08472	0.4
58.10275	0.5
59.01385	0.8
70.93355	0.7
81.03476	0.4
84.02901	0.4
95.05014	0.6
98.21984	0.4
106.09355	0.4
109.02948	1.1
122.03757	1.2
123.00927	1.4
123.04537	81.5
124.01699	0.9
124.04846	2.9
125.02475	1.7
135.04587	0.5
151.00414	0.5
153.05588	100.0
154.05930	4.2
164.58772	0.4
169.01418	3.2
300.99780	1.1
315.07178	1.9
315.10858	2.1
315.14273	0.5
316.03299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86834	0.6
53.21947	0.6
53.38484	0.6
59.01380	10.5
61.98833	1.0
65.03978	0.9
67.01860	0.8
71.01391	1.6
73.02946	1.3
74.08795	0.6
76.94959	0.7
78.55536	0.6
78.95911	0.7
81.04574	0.7
83.06168	3.7
84.30953	0.6
85.02966	1.2
88.04059	0.6
99.00935	1.2
101.02442	1.1
108.00566	0.9
108.02185	6.2
108.05748	0.8
109.02962	22.3
114.05615	1.5
114.98870	0.9
117.00456	2.1
117.01932	0.8
123.00867	2.7
123.04487	1.4
125.02488	4.9
126.00459	1.0
129.06726	0.6
131.08279	50.2
132.08604	0.8
133.57639	0.6
139.00368	0.8
140.02065	0.8
141.01631	0.7
141.05231	0.9
145.01433	4.2
150.05241	4.7
151.00415	0.9
151.54843	0.7
152.01128	5.3
153.01959	16.0
153.05598	2.9
153.99974	1.7
154.01111	1.2
154.02280	1.0
156.07733	1.5
156.99951	1.5
158.99696	0.8
159.01500	2.0
163.02493	5.9
165.45345	0.7
169.01451	6.2
170.01270	5.6
172.01028	19.3
173.01163	1.6
173.10443	5.8
178.04771	1.7
183.06296	1.0
183.99295	0.7
185.03020	1.9
191.05661	1.2
192.02713	3.3
192.06285	2.2
194.07805	5.3
196.05800	22.6
196.07613	1.2
197.05960	1.5
200.04231	1.0
211.02498	1.1
211.05737	1.0
214.05786	1.5
231.08308	6.1
238.06850	100.0
239.07005	7.9
254.08255	0.8
255.09497	68.3
256.09641	5.3
271.04529	0.7
273.10550	2.8
275.02115	1.1
300.99908	2.7
315.07126	9.3
315.10303	0.9
315.16321	0.7
316.03464	7.4
316.07050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59861	0.3
52.64524	0.3
59.01393	0.4
61.27942	0.4
62.47097	0.3
66.03500	0.3
68.99818	1.5
69.37618	1.5
92.05082	1.0
95.05098	0.4
96.04558	3.6
96.96027	1.1
106.03000	0.4
107.01436	0.5
113.35410	0.3
115.31348	0.3
120.04570	11.1
121.03011	0.4
122.02478	0.5
123.03226	0.4
123.04559	1.9
124.01667	0.8
124.04057	0.6
125.02467	2.5
131.49715	0.3
136.04070	2.5
137.04834	3.8
138.04538	0.7
138.05623	15.4
148.04062	39.1
149.04402	1.3
164.03552	0.7
165.04303	3.3
166.05109	100.0
167.05486	3.6
169.01469	3.3
169.76051	0.4
202.38481	0.4
211.02513	0.5
230.99336	1.0
239.79321	0.5
241.03627	1.7
245.13138	0.8
246.30765	0.3
286.98483	0.8
299.99188	1.1
314.97949	1.9
315.01266	0.5
315.13498	24.7
315.57642	1.5
315.98337	0.5
316.13852	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	315.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23944	0.9
55.01882	8.4
57.03456	6.7
59.01384	72.7
60.01741	1.0
62.09752	0.9
69.03465	1.0
69.25272	5.6
71.01389	100.0
72.01718	1.1
72.99324	2.1
73.02954	26.2
75.00880	2.3
83.01399	11.1
85.02960	44.8
87.00887	2.6
89.02448	21.9
90.02802	1.3
95.01411	8.9
97.02956	1.6
99.00893	10.8
101.02451	51.6
113.02464	38.4
118.69296	0.9
119.03522	7.6
125.02424	2.1
129.01898	0.9
143.03545	2.6
150.11333	0.9
159.02998	5.4
161.04570	19.0
182.14948	1.0
230.99339	1.2
286.98276	1.4
314.97839	3.9
315.01285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1966
Annotation	(+)-Phomactin C
Peak:m/z	Relative Intensity
50.30435	0.4
69.24976	2.8
71.01383	0.5
71.06901	0.5
77.98962	0.4
93.03458	0.5
95.05056	1.3
96.20551	0.4
105.01817	0.7
117.14556	0.4
131.14720	0.5
135.08157	2.0
151.11302	2.0
155.01485	0.7
163.07661	5.3
187.07660	0.6
197.98639	0.4
201.09315	2.6
202.09373	0.5
203.14398	1.7
206.79721	0.4
212.12074	0.5
214.48982	0.4
215.10796	1.5
217.07207	3.6
229.12405	0.5
230.99364	0.8
239.14407	2.2
246.12321	0.8
254.16777	14.5
255.17258	1.7
267.13870	2.5
267.23178	0.8
269.19119	16.1
269.24982	0.9
270.19452	1.5
271.17044	1.5
278.11197	1.1
282.16263	8.8
283.16623	1.2
285.18735	1.6
287.20190	18.0
288.20541	1.5
295.09912	0.5
297.18622	1.5
299.99249	0.7
314.97772	1.3
315.19672	100.0
315.25024	10.7
316.19998	7.8
316.25681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1965
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.66587	0.2
55.63439	0.2
59.10748	0.2
66.10596	0.2
79.08334	0.2
93.70187	0.2
98.22708	0.4
133.96904	0.3
186.33963	0.2
229.08739	2.5
243.10226	0.9
244.11037	3.5
245.11357	0.2
257.11957	0.7
271.48981	0.3
285.14935	1.1
299.16495	1.6
299.99152	0.2
300.17169	1.3
314.97882	0.7
315.19656	100.0
316.20001	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	315.1968
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.14927	0.3
62.17315	0.3
62.71232	0.2
68.59692	0.3
70.54261	0.2
71.16518	0.3
71.25488	0.3
140.28345	0.3
153.01944	0.4
184.19749	0.3
188.83461	0.3
210.88396	0.3
238.32864	0.3
255.17587	0.5
294.57608	0.3
299.99347	0.4
315.19672	100.0
315.25595	2.5
316.20001	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	317.0306
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
53.18398	0.6
55.72118	0.6
57.03441	2.9
59.01382	1.1
63.02103	0.8
63.02402	7.6
65.00327	7.4
66.43895	0.6
67.01898	1.7
67.92174	0.6
68.99825	3.6
69.03468	0.9
70.13618	0.7
71.01389	1.6
71.42207	0.6
81.03457	4.2
83.01397	8.1
93.03459	2.4
95.01376	3.3
96.99313	1.8
97.02979	0.9
103.05548	0.7
107.01399	19.1
107.05003	0.7
108.02207	8.5
109.02229	1.3
109.02972	26.1
110.03323	0.7
111.00893	2.6
111.39333	0.7
113.02487	0.6
115.05505	0.7
117.03487	1.0
121.02962	1.7
123.00909	11.1
123.04526	4.6
124.01688	8.5
125.02467	26.4
126.02800	2.1
131.05023	3.2
131.16628	0.7
133.02930	1.5
133.06442	0.8
135.00893	1.1
135.04579	0.9
136.01651	1.9
137.02460	37.9
138.02809	1.8
139.00375	2.9
141.01939	0.8
143.05043	2.1
145.02956	1.5
145.06630	3.7
146.03693	0.7
147.00900	1.6
147.04526	2.0
148.01660	1.0
149.02428	1.5
151.00392	46.7
151.03975	5.6
152.01172	5.4
153.01950	18.6
154.01436	1.6
155.01808	2.1
155.03574	1.1
155.04970	1.2
157.06586	1.0
158.03754	1.3
159.04590	3.5
161.02414	3.4
161.06073	1.3
162.03209	1.2
163.00385	4.7
163.04001	2.1
164.01236	0.7
165.01938	15.3
168.00679	1.0
169.01451	21.9
170.01828	1.7
171.04515	4.6
172.01865	0.7
172.05074	0.7
173.02397	1.1
173.06033	4.4
174.03275	1.3
175.04024	17.2
176.01125	1.0
177.01920	3.7
178.99881	40.6
183.04526	1.9
184.05296	0.8
185.02409	1.9
185.06110	2.2
186.03104	0.7
187.04051	3.3
189.02002	2.4
189.05557	2.7
190.02643	0.8
190.99905	1.3
191.03540	1.5
192.00665	0.7
193.51472	0.7
198.03192	1.0
199.04045	6.3
200.04802	1.0
201.01978	1.6
201.05580	3.8
202.02757	1.5
203.03493	5.8
205.05141	0.8
207.02983	2.1
211.02370	1.0
213.01973	1.7
214.02693	1.5
215.03557	3.2
216.04198	2.4
217.05075	9.1
219.02998	2.1
227.03564	9.0
229.01479	1.3
229.05109	2.0
230.02234	4.8
231.03024	11.4
231.06575	1.4
232.03174	1.1
241.03520	11.4
241.53748	3.6
243.02962	8.3
244.03535	0.8
245.04572	10.8
247.02428	0.9
249.04082	0.9
255.03108	4.2
258.01578	1.1
261.03998	1.8
271.02490	6.7
272.03003	1.3
272.07126	1.3
273.04077	40.2
274.04269	3.1
275.01898	0.8
287.09320	13.9
288.09601	1.1
289.03656	2.4
299.02182	4.1
302.55652	0.8
313.05618	1.4
316.53552	2.7
317.03043	100.0
317.10065	3.3
318.03409	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	317.0304
Annotation	Myricetin
Peak:m/z	Relative Intensity
59.01382	4.0
63.02399	7.1
65.00329	12.6
66.37686	0.4
69.14406	2.1
79.87479	0.3
81.03465	1.5
83.01396	8.4
96.02190	0.4
107.01396	22.1
109.02957	20.2
109.06610	0.6
110.03284	0.5
123.00843	1.1
124.01691	1.4
125.02452	3.1
137.02455	46.4
138.02809	1.4
151.00378	62.1
152.00684	1.7
155.03506	1.5
155.10774	2.3
163.00398	1.3
164.01141	0.9
165.01923	3.8
165.47456	0.4
169.01436	3.4
175.04065	0.7
177.01950	0.5
178.99873	36.0
180.00208	1.0
183.04393	0.5
187.66833	0.3
191.03531	0.5
192.00699	2.3
193.01404	2.3
197.11746	0.4
199.04047	0.5
199.09798	1.0
202.07922	0.3
202.94662	0.4
217.04965	0.5
225.11372	0.9
227.03517	1.6
231.03061	0.5
243.02972	0.6
243.12381	0.4
245.04552	0.6
255.02931	0.5
261.03943	0.4
271.02551	2.8
272.02716	0.5
289.03043	1.0
299.01956	1.0
301.99557	1.0
317.03024	100.0
317.19720	3.1
318.03375	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	317.0305
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.43686	1.1
53.77022	1.1
57.03461	5.1
57.67968	1.0
59.01385	1.4
61.65827	0.8
63.02406	15.8
65.00326	14.9
65.03961	1.2
67.01889	3.8
68.99829	6.8
70.77032	1.2
70.77377	0.9
71.01379	1.2
73.17695	1.0
81.03457	6.9
83.01401	14.5
91.69090	1.0
93.03452	4.6
95.01396	5.6
96.99362	5.1
97.02868	0.9
98.21986	0.9
107.01402	29.6
108.01589	1.6
108.02210	21.5
109.02970	50.3
110.03339	1.4
111.00894	4.4
117.03469	0.9
119.05046	2.1
119.72988	1.0
121.02969	4.1
122.03799	1.4
123.00903	20.6
123.04540	8.1
124.01700	14.0
125.02470	45.2
126.02769	2.5
127.05508	1.4
130.04170	1.0
131.05055	3.2
133.02986	1.6
135.00876	3.0
135.04602	1.6
136.01715	5.5
137.02458	65.7
139.00391	4.3
141.01932	1.1
143.05032	2.4
145.02940	1.9
145.06606	1.9
147.00883	3.1
147.04556	2.1
148.01715	1.7
149.02455	2.2
151.00392	85.4
151.04007	11.0
152.01198	7.8
152.66417	1.0
153.01962	34.3
153.05571	1.2
155.03497	1.5
155.05058	1.2
157.02963	1.2
159.04538	4.6
161.02464	5.8
161.06061	1.8
162.03246	1.3
163.00391	6.6
163.04041	4.7
164.01170	1.2
165.01950	28.5
168.00621	3.1
169.01443	38.8
170.01775	2.9
171.04521	3.8
173.02425	2.2
173.06117	3.0
174.03194	2.5
175.04021	28.1
175.44380	1.0
176.04247	1.3
177.01970	3.3
177.05511	1.3
178.99879	69.9
180.00191	2.8
183.03049	1.7
183.04558	2.5
185.02467	3.0
185.06107	1.1
187.04024	4.2
188.01175	1.2
189.01952	3.4
189.05569	2.6
190.99883	3.0
191.03519	2.1
192.00635	2.0
193.01479	2.2
199.04091	6.8
201.01962	1.4
201.05589	3.6
203.03534	10.6
205.04988	2.1
207.03018	3.1
213.01955	2.5
214.02698	1.9
215.03490	5.5
216.04250	1.6
217.05034	6.7
219.02994	4.6
222.82239	1.0
225.19620	1.0
227.03578	12.5
229.01541	1.5
229.05095	1.7
230.02231	4.3
231.03000	19.1
232.03355	1.9
241.01175	1.2
241.03551	16.1
241.53650	3.3
243.02994	13.5
245.04568	10.6
255.03035	7.7
257.04590	2.3
261.03952	4.6
271.02530	10.9
272.06952	6.0
273.04083	13.0
287.09271	27.6
288.09396	2.1
289.03546	3.3
299.02045	6.7
313.05560	4.5
317.03046	100.0
317.10400	6.3
318.03470	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	317.0881
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
57.28834	0.3
59.01379	0.8
70.76021	0.5
107.01453	0.4
109.02871	0.4
111.00880	1.6
112.01703	0.5
123.00895	0.9
124.01722	0.5
125.02485	1.8
126.10324	0.4
138.05693	0.4
139.00395	4.4
140.01180	88.8
141.01472	2.5
148.35701	0.3
154.02779	0.9
155.03528	100.0
156.03868	3.9
167.03377	0.5
169.01491	1.9
170.01736	0.5
210.86366	0.3
213.00661	0.4
241.03542	1.0
280.56073	0.4
285.05814	0.3
302.00485	0.5
316.53372	1.2
317.03394	0.9
317.08820	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	317.1033
Annotation	Evofolin B
Peak:m/z	Relative Intensity
54.08767	0.7
57.03406	2.5
57.03660	0.7
59.01373	0.6
63.02363	2.0
63.94118	0.7
65.00292	2.9
66.73519	0.6
67.01881	1.3
68.99796	0.6
69.73317	2.0
81.03419	1.9
83.01401	4.0
85.02905	1.3
91.20504	0.6
91.71059	0.6
93.03427	1.0
95.01358	2.7
97.02948	0.9
107.01398	5.9
108.02187	58.8
109.02989	11.7
111.00919	4.1
121.02977	4.5
122.03728	2.2
123.00905	27.3
123.04539	23.5
124.01704	16.9
125.02478	13.3
133.02881	0.8
135.00873	1.9
136.00740	0.9
136.01682	13.6
137.02475	8.7
139.00356	1.1
143.05028	1.1
147.00902	9.5
148.01707	4.1
149.02408	2.0
150.03214	1.7
151.00391	16.4
152.01192	3.2
152.73009	0.7
153.01932	1.7
153.05615	3.1
162.03268	3.9
163.00328	0.9
163.04018	5.9
165.01949	4.9
169.01402	1.6
171.04520	1.0
175.04050	0.7
177.01930	0.9
178.99869	17.3
180.00174	1.1
189.02032	1.1
199.03999	1.3
203.03432	1.3
215.03529	1.0
227.03558	2.0
229.05168	1.4
231.02901	2.1
243.02971	2.4
255.03001	0.8
257.04657	4.9
271.02481	1.8
271.06708	0.7
272.03940	1.2
272.06927	19.2
273.04086	1.2
273.07269	1.3
287.09274	100.0
288.09628	6.7
299.01773	1.5
299.16522	1.9
316.99484	1.4
317.03015	15.7
317.10339	24.0
317.17502	10.8
318.10706	1.5
321.03534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2126
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
51.33296	0.4
52.42707	0.3
53.45186	0.3
57.43690	0.3
58.73392	0.3
61.98823	0.3
75.84313	0.4
98.21851	1.2
109.02940	0.6
112.85861	0.3
137.02457	1.0
137.28253	0.4
151.00389	1.2
178.99968	0.5
186.86615	0.4
193.19104	0.4
193.38913	0.4
228.92830	0.5
253.14784	0.4
254.85722	0.6
317.02972	1.2
317.21243	100.0
318.21558	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	318.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01383	78.1
60.01704	1.2
69.80697	1.9
69.81049	0.9
71.01387	35.1
72.01740	0.8
72.99313	1.4
73.02962	1.3
81.98035	0.6
83.01389	2.1
85.02955	6.6
87.00894	1.5
89.02451	35.3
95.01406	2.5
98.21903	0.8
101.02449	27.0
108.18639	0.6
108.49254	0.7
112.04043	1.9
112.07660	0.8
113.01717	1.1
113.02461	13.6
115.82198	0.6
119.03514	16.9
125.02463	2.2
130.92780	0.7
131.03477	0.8
138.05623	17.5
140.01152	1.7
141.01498	1.6
143.03500	1.5
149.04578	1.1
152.99283	0.8
155.03537	1.0
156.03882	0.7
156.06667	14.8
161.04623	1.4
169.01474	2.3
179.05650	1.7
201.01801	0.9
203.97795	0.6
241.53648	0.7
264.68063	0.6
289.08112	0.7
289.89413	0.7
318.11963	100.0
319.12253	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	319.046
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
54.16192	0.7
57.03455	11.8
59.01382	6.2
63.02397	1.6
65.00341	2.2
69.47138	3.3
71.01366	1.8
73.02963	1.5
77.20287	0.8
79.95746	8.3
80.96519	6.3
81.03454	1.3
83.01383	4.3
83.45383	1.1
85.02953	1.1
87.00889	10.5
89.02449	2.2
93.03471	1.4
95.01385	1.3
101.02474	1.6
102.98606	0.8
107.01376	2.9
109.02934	3.6
121.02947	2.5
123.00878	2.3
124.01645	3.3
125.02461	54.3
126.02790	1.6
126.95310	1.4
137.02477	9.0
139.03995	4.7
145.02913	1.0
147.00912	4.6
151.00389	11.0
152.01122	2.4
152.96837	1.4
153.01974	7.1
155.03517	1.1
165.01939	10.2
166.02715	1.2
167.03529	6.0
168.96356	5.4
169.01382	1.5
175.00388	26.9
176.01096	1.8
178.99869	9.7
181.01398	2.7
185.02477	1.1
187.04004	1.9
190.02682	1.0
191.01906	1.4
191.03499	16.0
192.03828	1.1
192.05482	0.8
193.01430	100.0
194.01752	3.4
196.95851	12.4
205.05055	1.6
214.25427	0.9
215.03537	8.9
216.03873	1.0
229.05057	1.4
233.04590	3.1
239.03487	0.9
242.53761	1.2
257.04587	8.5
275.05588	1.0
283.02536	1.2
291.05130	1.2
301.03549	9.5
313.34601	1.0
318.99738	2.0
319.04538	1.0
319.13849	4.4
319.17517	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	319.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58278	0.7
57.03451	12.1
57.73576	0.6
63.02422	0.7
65.00335	2.2
65.58858	0.7
66.89159	0.5
69.09414	4.4
81.03429	0.8
83.01390	4.2
93.03445	1.1
95.01419	1.1
102.35569	0.6
107.01400	3.6
109.02972	3.7
111.04499	1.1
119.01412	0.7
120.84109	0.5
121.02989	2.6
123.00897	2.7
124.01670	2.5
125.02459	55.4
126.02818	0.9
137.02438	10.0
139.04056	4.4
145.02930	1.0
147.00911	4.9
149.02432	0.6
151.00383	11.1
152.01166	2.9
153.01978	7.3
155.03545	0.7
159.04517	0.8
163.03966	0.8
165.01938	10.4
166.02632	1.9
167.03545	6.3
169.01462	0.9
175.00386	26.5
176.01024	1.4
178.99883	9.4
181.01434	2.3
185.02412	1.2
187.03996	1.9
190.02757	1.4
191.03548	14.3
192.03732	1.0
193.01448	100.0
194.01776	5.7
201.05528	1.0
205.04988	1.9
215.03503	9.3
229.05101	1.0
233.04543	3.3
239.03551	1.2
257.04565	8.4
263.40710	0.7
275.05566	0.8
283.02512	1.9
301.03583	8.4
319.04373	0.9
329.28870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09317	2.0
51.45596	2.0
52.16664	1.7
53.71066	1.9
59.01385	100.0
61.79368	1.7
71.01382	5.0
73.02964	2.8
85.02966	3.6
99.00917	1.8
101.02465	5.4
113.02399	2.0
120.36866	1.9
125.02465	2.9
137.02455	3.8
143.82349	2.0
161.04604	3.9
191.03535	3.1
215.03484	3.8
236.38124	1.8
239.03427	2.4
259.08231	3.7
275.02069	2.7
301.03516	6.1
319.04510	4.4
319.97028	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	319.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.9
69.45677	2.8
71.01393	4.3
73.77581	0.7
85.02956	1.3
89.02463	3.1
95.05058	1.1
96.96036	1.1
101.02452	1.3
112.04062	11.9
113.02442	1.3
115.78406	0.8
119.05025	1.5
120.04596	2.0
120.99668	2.9
121.05360	4.9
122.06181	4.7
123.03286	16.3
124.04082	19.5
125.02448	1.6
132.76195	0.8
133.16281	0.9
136.07700	43.6
137.06110	3.9
137.08031	1.9
138.05630	100.0
139.06003	4.0
140.07191	4.4
145.01430	1.9
157.08698	1.0
163.04077	1.4
182.04602	8.7
183.05400	11.2
184.06177	26.4
185.06477	1.4
196.84706	0.7
202.99896	0.9
215.04378	1.5
224.13322	0.8
230.99263	1.1
242.10773	1.5
246.99011	1.6
257.12939	9.7
301.12039	1.8
319.13168	8.9
319.18546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.15318	0.8
55.01875	1.0
57.03444	3.0
58.00619	0.7
59.01382	100.0
60.01722	0.6
64.10364	0.7
64.85783	0.7
66.46677	0.8
66.98827	0.8
67.96832	0.7
69.40090	3.9
71.01387	41.2
73.02955	3.1
79.95741	12.2
80.96532	7.9
83.01405	4.1
85.02954	9.7
87.00878	14.1
89.02453	35.7
89.03022	1.2
95.01399	2.8
98.22604	1.5
101.01849	0.9
101.02448	25.0
101.03111	1.3
102.98644	1.2
109.02952	1.1
113.02462	15.5
119.03517	13.8
120.04424	0.7
121.02988	1.4
122.06176	1.1
124.93815	0.7
125.02454	10.1
126.95334	1.1
136.07689	2.8
136.13658	0.7
137.02438	1.7
137.06090	2.2
138.05600	1.9
139.07661	18.5
139.08725	1.1
143.03535	1.2
149.04608	0.8
150.05612	8.0
152.96916	2.3
157.08725	3.2
164.01198	1.3
164.40070	0.7
165.01949	2.6
168.96394	4.2
175.00438	1.5
176.10838	1.4
179.05731	1.3
191.03526	1.5
193.01427	8.7
196.95860	14.2
196.97490	1.3
218.93987	0.7
276.12531	0.8
301.12170	1.0
302.10361	4.1
318.99521	1.2
319.13983	89.5
320.14349	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	319.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01710	1.8
69.44633	6.8
75.19351	1.4
100.56390	1.6
125.02477	1.9
126.37704	1.7
202.99852	2.5
221.14455	1.6
266.59839	1.4
269.16916	1.7
307.90012	1.5
319.03369	1.6
320.18539	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	319.1919
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
57.03456	5.9
59.01379	1.5
65.00321	0.4
69.03466	2.9
69.09959	2.0
71.01380	1.4
73.02939	1.8
73.11323	0.3
80.02677	0.3
81.03461	0.8
83.01373	0.4
83.05051	0.4
84.33350	0.3
84.46830	0.4
84.90958	0.3
85.02959	32.0
86.03292	0.6
87.04523	0.6
93.03472	0.5
95.05038	1.9
97.02950	0.5
97.06597	7.7
107.05060	4.7
108.26130	0.4
109.02977	0.5
109.06585	1.2
115.40119	0.3
121.06625	0.5
125.02470	4.5
125.06095	4.8
126.02818	0.4
131.08661	0.4
133.06609	1.8
134.07396	0.4
135.08177	0.9
137.06107	0.4
141.46977	0.3
147.88405	0.3
149.06093	1.5
149.09727	0.7
151.00389	0.8
151.07658	1.9
152.01030	0.5
159.04657	0.4
161.06210	0.4
162.06848	0.5
163.07655	1.4
163.11299	1.3
165.01904	0.6
165.09229	0.5
171.08102	0.4
173.09705	0.6
175.00406	0.5
175.11302	0.6
175.63884	0.3
177.09192	0.3
178.99899	0.7
180.00320	0.3
184.39398	0.3
185.09753	0.5
189.09125	0.8
191.10808	0.9
193.01453	2.3
193.12358	0.4
194.04636	0.5
194.61937	0.4
195.11800	0.5
197.09641	0.5
203.10835	1.1
203.14392	0.3
211.15016	0.5
213.11082	0.4
213.12866	2.0
215.14349	0.5
217.08733	0.5
219.10307	0.5
225.12825	0.7
227.03493	0.3
227.14403	1.5
229.15985	0.7
231.13905	3.2
233.09715	0.8
233.15486	3.8
234.16037	0.4
237.11354	1.2
239.14445	0.7
241.16307	0.4
243.13826	0.8
245.15509	1.9
247.17038	3.0
249.12856	3.3
250.12045	2.7
251.10773	0.5
251.13084	0.4
255.13916	0.5
257.15488	0.9
257.19113	0.7
265.15933	2.5
267.13940	11.5
268.14377	1.6
273.15030	1.2
273.18457	0.5
281.15509	0.9
283.17068	14.4
283.20261	0.7
284.17361	1.8
285.14993	10.1
286.15488	1.1
299.16476	2.3
301.18109	45.2
302.18427	4.2
319.19168	100.0
320.19498	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	319.228
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.20484	0.2
59.04977	0.2
79.95739	0.6
80.96490	0.3
90.62005	0.3
106.98055	0.3
138.02412	0.3
150.63789	0.3
228.69423	0.3
301.21780	0.7
306.42020	0.3
319.22787	100.0
320.19052	1.5
320.23041	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	321.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89484	0.5
59.01382	1.3
62.12595	0.6
71.01410	0.8
71.40781	0.6
74.36057	0.8
74.99119	0.7
93.60452	0.7
96.96027	1.1
104.02285	0.6
106.04276	2.7
113.10404	0.7
121.02955	0.7
123.00829	0.7
125.02490	1.0
133.02982	2.6
134.03722	0.7
138.03238	1.2
145.03026	3.1
146.03699	0.8
147.04555	1.0
151.00348	0.7
159.04547	2.0
161.02457	6.8
162.03236	0.8
163.03905	0.9
172.60210	0.5
173.02469	4.8
174.03236	2.8
175.03984	1.5
177.01971	1.9
179.03522	4.7
187.03931	1.0
189.01964	11.6
190.02742	14.5
191.03520	3.7
203.03528	13.0
205.01422	1.7
205.05157	1.0
206.02127	0.9
213.01938	1.4
217.01440	14.1
218.02209	4.9
219.02975	0.8
222.01711	0.8
231.03029	4.9
232.00163	0.9
233.01004	1.0
233.04587	8.8
234.04840	0.7
243.05681	0.6
245.00922	16.8
249.04076	8.6
259.99631	1.7
261.00427	100.0
262.01083	14.4
277.03577	20.2
278.03891	1.0
288.99884	0.8
321.02521	12.4
321.06253	2.2
321.10220	1.3
322.02994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08794	0.3
54.13008	0.4
59.01375	1.4
65.63535	0.4
71.06124	0.4
71.41672	0.4
84.95699	0.4
89.02426	0.6
91.05541	3.2
95.01421	0.5
98.93920	1.0
103.14619	0.4
113.92642	1.8
114.90198	1.3
114.93410	1.0
117.03475	11.3
125.02480	0.9
135.04550	0.5
155.34201	0.4
163.04013	0.8
169.01375	0.4
191.00224	0.5
201.99561	0.5
217.01607	0.5
218.99780	30.9
220.00172	1.4
223.06230	0.6
233.01326	9.9
233.98494	15.1
234.01091	0.7
234.01862	0.7
234.98853	0.8
235.02907	0.9
249.04236	0.5
251.02452	0.7
261.00836	100.0
262.01166	5.1
321.02872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0617
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
52.01709	1.4
55.86540	1.2
57.03445	4.6
59.01371	5.2
59.61143	1.2
64.57790	1.2
64.95936	1.3
65.00330	2.6
68.99821	2.3
71.01392	2.6
71.10607	1.5
79.72152	1.3
81.03493	1.4
83.01402	9.7
85.02975	3.5
93.03479	4.5
95.01396	2.0
107.01388	4.0
107.05069	1.5
109.02988	3.3
115.75831	1.3
121.02979	2.9
123.00920	4.6
124.01674	5.4
125.02472	36.1
136.94058	7.5
137.02451	3.6
139.04036	5.9
149.02490	1.5
151.00414	16.5
153.01956	100.0
154.02344	2.8
165.01939	1.5
167.03493	22.3
169.01445	3.2
175.02470	3.4
177.01947	3.7
178.95105	13.3
178.97728	6.8
179.95192	2.1
182.30119	1.2
183.02969	5.8
190.98177	4.1
193.03539	3.0
195.02985	3.8
217.03452	1.6
219.01494	7.4
234.00235	2.0
234.97139	4.7
235.04553	7.4
236.95053	3.6
257.07455	1.3
261.02530	11.6
278.96198	8.4
279.96140	2.3
320.96341	6.7
321.11813	2.1
321.15341	1.9
334.39624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	0.8
59.01384	8.6
69.33933	3.9
70.00755	0.7
71.01378	2.6
76.87659	0.7
84.04565	1.0
89.02457	0.8
94.02981	0.9
97.01694	1.1
112.04061	12.0
121.05328	2.6
122.06147	6.2
123.03309	5.4
123.06911	1.1
124.04057	14.0
124.07672	7.4
125.02438	2.5
126.01898	0.9
134.06161	3.6
135.04500	0.8
136.07692	100.0
137.06116	10.8
137.07994	3.3
138.05623	28.4
138.09238	13.8
140.07181	4.9
161.77232	0.7
166.05133	0.7
169.01443	1.7
169.60036	0.7
182.04607	0.8
184.06142	20.1
185.03253	0.6
185.06570	0.7
216.13927	1.1
218.99655	0.9
230.10660	1.2
259.14526	21.3
261.00818	2.5
261.12354	1.3
300.05685	1.5
303.13495	1.6
321.04092	1.1
321.14490	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03437	0.6
58.00596	0.8
59.01387	49.9
60.01719	0.6
60.42669	0.5
67.38936	0.6
71.01389	21.2
71.41467	0.9
72.20870	0.6
73.02945	1.4
83.01385	2.6
85.02978	3.6
87.00880	2.2
89.02457	16.8
95.01392	1.8
101.02456	13.7
104.56271	0.6
113.02454	7.6
113.09742	26.6
114.10091	1.3
119.03523	7.5
125.02454	2.0
131.03537	0.7
141.09196	6.0
143.03612	0.7
143.10797	2.2
155.10825	3.2
159.10286	67.2
160.10623	2.3
169.01456	2.9
177.05536	0.6
179.05701	0.8
201.11363	2.3
232.03053	1.4
321.15564	100.0
322.15952	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03442	0.9
58.00602	1.1
59.01384	100.0
69.74047	2.6
69.74414	0.7
71.01388	47.6
72.91372	0.6
72.99286	0.8
73.02952	2.0
83.01415	2.4
85.02946	8.9
87.00876	0.9
89.02453	46.9
94.84850	0.6
95.01413	3.6
98.22661	1.4
101.02452	30.3
103.59879	0.8
113.02458	19.4
113.09798	0.8
119.03517	24.8
124.58128	0.6
125.02497	1.9
131.03561	1.9
141.09244	9.1
143.03526	2.6
149.04562	1.3
159.10289	2.5
161.04561	1.3
169.01442	0.8
179.05602	2.1
245.01009	0.9
268.07040	0.8
272.40985	0.7
295.33112	0.7
321.15567	77.0
322.15845	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11559	1.0
57.03458	1.0
59.01384	100.0
60.60173	0.9
71.01393	10.7
71.41881	1.5
73.02956	3.2
85.02963	4.0
89.02453	6.3
94.06628	3.7
96.04564	3.3
99.00849	1.3
101.02463	7.0
107.01437	0.8
109.22739	1.0
113.02459	5.2
117.03445	0.9
119.03517	3.7
119.05083	0.8
120.87775	0.8
122.06093	1.1
124.04068	2.0
125.02448	4.1
135.04578	6.3
136.07707	10.1
137.02493	0.8
138.05629	4.3
161.04575	3.3
169.01437	2.0
179.03545	2.1
181.20906	0.8
184.06146	2.3
193.01411	0.9
218.99762	1.1
233.98529	1.1
259.14432	2.9
261.00793	7.1
321.14789	2.1
321.19077	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	322.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21936	0.6
59.01382	31.8
60.32433	0.6
64.36873	0.7
68.02529	1.1
69.18694	1.2
69.19097	2.2
71.01383	5.5
72.00913	24.2
73.02980	1.7
73.67763	0.7
83.01365	1.1
85.02953	2.2
89.02465	6.0
91.05555	1.6
95.01353	0.7
99.00872	2.5
99.97165	0.6
101.02437	3.5
103.05534	1.2
105.03474	1.3
110.01568	0.5
113.02448	2.1
117.01955	1.0
119.03507	2.3
119.05025	0.7
123.04499	4.0
125.02475	1.3
133.02971	9.9
141.98248	8.0
143.03555	1.5
143.07144	2.0
145.01469	7.1
147.04532	67.9
148.04892	2.2
157.89655	0.6
160.09775	1.3
161.04515	1.0
161.08168	0.9
164.07172	100.0
165.07541	4.6
169.01434	1.3
174.99268	2.3
177.01981	5.2
179.05563	0.9
187.98775	8.3
195.03020	1.4
229.99870	1.6
251.97723	0.7
263.11441	0.7
280.99762	0.6
322.06100	83.7
323.06674	5.1
323.13449	10.0
327.77841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2025
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02979	2.3
69.64853	0.3
70.33794	0.2
70.56140	0.3
70.56439	0.2
71.58220	0.2
81.03477	0.2
95.05038	0.8
97.06615	0.4
109.06605	0.7
128.10834	7.3
129.11186	0.3
130.08751	100.0
131.09090	2.6
165.12840	1.0
172.09822	0.4
322.20258	30.5
323.20621	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	323.0563
Annotation	Pre-bikaverin
Peak:m/z	Relative Intensity
52.79975	1.5
59.01371	1.5
69.25896	5.3
69.26321	5.9
106.26053	1.5
123.90255	1.6
137.66013	1.6
180.05858	2.1
209.11829	2.9
305.17551	3.1
307.02496	44.5
308.03152	11.4
323.05615	100.0
323.18582	2.5
324.05954	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	323.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99921	0.5
59.01371	0.7
69.34159	1.9
103.63560	0.5
121.02927	0.5
145.68768	0.5
155.94273	0.5
173.15593	0.5
175.09476	0.5
180.05843	0.5
207.04587	0.5
208.05276	1.3
209.11861	1.4
211.07751	0.6
234.03227	1.5
235.03999	0.8
260.32642	0.5
263.03531	0.8
264.04263	1.3
268.57126	0.6
305.17523	2.3
307.02499	49.7
308.03137	13.8
309.03827	0.8
323.05615	100.0
324.05978	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38541	1.2
57.69704	1.4
59.01385	100.0
61.39596	1.2
71.01391	15.5
73.02972	1.7
78.95912	2.4
85.02962	3.8
87.00897	1.6
89.02463	21.4
89.79687	1.1
93.61193	1.4
96.04567	27.6
101.02470	11.2
113.02462	8.8
119.03500	9.7
121.02978	2.0
125.02486	2.4
143.03529	1.8
143.07188	5.6
145.08829	1.6
161.04610	2.6
164.07187	3.1
165.01926	2.2
169.01424	2.4
179.05704	5.4
208.06143	2.1
239.05656	3.9
249.12325	2.3
261.00394	2.2
263.02640	1.7
275.30185	1.6
286.95755	1.6
299.99249	3.9
322.98077	3.7
323.06982	2.4
323.13507	45.1
324.13922	2.9
326.73184	1.5
331.58371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26641	0.6
59.01384	100.0
60.01723	0.7
69.68203	2.1
71.01389	4.3
73.02946	0.8
83.01413	1.0
84.11184	0.6
85.02995	1.2
87.00854	0.6
89.02450	4.9
98.21905	0.8
99.00878	1.0
101.02456	3.4
104.22808	0.6
105.03476	1.0
113.02469	2.3
119.03510	2.9
123.04549	0.8
125.02469	0.7
133.02962	4.6
145.01480	3.1
161.04605	1.4
177.01956	1.7
179.05658	1.8
207.68217	0.6
323.13776	0.8
328.92496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
55.09422	0.6
57.03433	1.0
57.29525	0.7
58.00613	0.9
59.01385	100.0
59.57220	0.6
71.01389	45.6
71.42516	0.7
72.01732	1.1
72.99342	1.4
73.02967	1.7
73.23748	0.8
75.83068	0.7
83.01405	3.9
85.02961	10.8
87.00919	2.5
88.87936	0.7
89.02454	49.2
90.02788	1.2
95.01401	4.0
95.05047	0.7
96.01728	0.7
96.96045	1.5
99.00889	2.8
99.08176	0.9
101.02452	30.5
105.03505	1.4
113.02464	17.6
119.03513	22.3
123.00917	1.5
123.04533	5.1
124.01732	1.7
125.02439	4.9
126.02837	1.0
131.03540	2.1
133.01450	1.4
133.02977	11.4
135.04555	2.2
139.00311	0.7
143.03531	2.2
145.01427	4.3
149.02426	0.7
149.04562	1.1
161.02464	2.6
161.04588	3.0
161.08202	1.1
163.04100	2.2
169.01440	3.8
177.01924	3.4
179.05649	2.4
189.01962	1.0
195.03030	1.8
207.03014	0.8
220.16449	0.7
224.61491	0.7
241.53812	1.8
287.03165	5.1
287.53415	1.1
322.56360	1.1
322.98123	1.2
323.13510	70.0
324.14023	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	323.1867
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.87288	1.6
54.66169	1.5
57.03448	1.7
59.01375	4.0
61.98835	2.0
70.56931	3.3
74.63162	1.6
81.03473	1.9
83.05045	8.0
87.77784	1.9
95.04993	2.6
97.06608	2.3
98.08336	1.7
107.05041	15.2
109.06593	4.8
110.03735	1.9
121.02943	4.3
125.02450	3.9
125.06103	5.0
125.09732	6.6
133.03000	1.7
135.04561	2.3
135.08189	5.7
140.65443	1.8
153.09264	13.3
158.93204	2.2
163.11308	8.0
165.06961	1.9
165.12859	4.6
176.08441	2.2
178.10040	4.5
185.11852	2.0
197.11894	13.7
207.10262	7.0
209.11850	100.0
210.12175	4.9
225.11385	6.8
236.10596	3.0
243.17458	3.8
245.64977	1.9
261.18631	7.4
263.16437	2.1
269.15631	2.4
279.19724	2.2
287.16599	12.2
294.36685	2.2
305.17593	91.2
305.21234	31.0
306.17926	7.6
306.21320	3.4
322.97736	1.7
323.18576	13.2
323.22247	7.9
324.22391	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	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03451	4.2
59.01383	4.9
63.22408	1.6
65.03964	2.6
68.01959	1.7
69.15276	8.0
69.15688	3.9
80.02686	5.3
81.03472	2.3
83.05052	6.6
95.05048	2.5
97.02962	4.2
97.06597	50.7
109.06602	40.2
110.03715	3.0
111.15028	1.9
123.04572	2.0
123.08184	6.6
124.01653	6.7
125.02457	9.6
125.09731	51.8
134.07391	3.1
135.08180	21.2
135.42458	1.8
135.92726	1.7
139.00372	1.7
153.09241	2.5
161.06105	36.7
163.11333	7.8
168.00700	2.7
169.01373	10.7
171.10165	2.3
181.12329	6.5
185.11925	2.0
207.10271	20.8
209.11876	5.1
225.11313	19.0
243.17487	2.2
261.04883	3.2
261.14932	2.9
277.18161	3.9
279.16019	69.4
280.16461	5.6
287.16489	16.6
288.16864	4.1
305.17606	100.0
306.17984	7.5
323.15002	4.4
323.18652	11.8
324.10352	13.4
343.31345	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	323.1867
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.14730	6.1
57.03454	19.1
59.01387	22.3
66.19400	8.7
69.03445	6.8
70.79586	8.8
71.01376	7.6
71.05032	20.7
83.01406	9.4
83.05031	13.3
84.06676	5.7
95.05031	36.9
96.96030	8.0
97.06599	12.9
99.04495	6.2
113.06104	19.0
121.02988	9.3
125.09742	13.8
185.11887	11.4
191.93379	6.1
192.64459	6.7
209.11856	43.7
227.41948	7.5
231.14044	7.1
237.14987	100.0
243.17477	16.1
265.14487	18.1
276.94055	6.7
287.16614	40.4
288.33432	6.2
305.17688	50.1
323.18588	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	323.2231
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
59.01390	14.5
61.46983	6.5
61.98830	23.0
63.80724	6.3
64.72190	7.3
66.95120	7.2
71.05060	11.4
71.44321	8.8
73.78234	6.2
74.91408	7.4
75.00973	6.4
76.22912	7.8
96.95998	7.4
115.24109	7.2
121.03042	9.0
121.10222	16.9
137.09724	24.6
149.45392	8.1
158.72754	6.9
171.10284	21.0
180.03908	8.4
185.11867	20.8
291.19638	100.0
292.19977	9.1
305.18176	7.1
305.21170	42.7
306.21603	7.9
307.03003	8.4
323.05646	9.3
323.22198	51.7
324.22690	9.2
333.58017	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	324.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	7.2
65.43101	3.9
69.62928	9.8
69.63310	5.9
70.58573	4.4
92.38523	3.9
95.08799	4.9
106.10691	4.5
128.30321	4.1
131.16037	4.1
183.01219	53.9
222.30313	4.5
233.97675	4.1
310.44000	4.2
325.18427	100.0
325.22180	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	324.2183
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
52.08751	0.2
57.88541	0.2
58.02976	0.6
59.01395	0.3
63.08598	0.2
68.16322	0.2
70.90857	0.3
83.05028	0.2
89.75974	0.2
93.80099	0.2
110.03663	0.2
118.48134	0.2
128.10843	2.6
130.08755	100.0
131.08369	0.2
131.09111	2.3
135.45789	0.2
137.09686	0.3
146.62477	0.2
154.12364	0.2
159.46614	0.2
160.75366	0.2
167.14543	0.4
175.87996	0.2
193.12341	0.3
197.11874	0.5
207.28012	0.2
224.20175	0.4
235.80168	0.3
262.21887	0.5
280.22778	0.3
307.19055	0.3
324.21829	39.4
325.07144	0.4
325.22562	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
58.93731	0.8
59.60841	0.8
61.67635	1.0
70.57793	2.0
71.01418	1.0
72.99307	1.2
73.29618	0.9
76.42583	0.8
87.23840	0.7
96.71955	1.0
99.00884	19.0
99.01523	1.2
101.02477	5.1
117.01962	11.6
119.03548	1.3
127.99109	0.9
132.40808	1.1
135.04530	3.9
145.01437	77.9
146.01778	2.9
163.02498	100.0
164.02834	1.8
179.03633	1.3
191.52655	0.9
254.58728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75226	0.9
55.01879	1.0
57.03444	2.0
66.70151	0.9
69.41525	1.6
69.41924	3.4
72.99302	2.6
99.00890	21.3
100.01292	1.1
101.02460	4.5
117.01946	10.0
119.05042	1.6
135.04547	3.7
145.01443	74.1
146.01782	2.5
163.02505	100.0
164.02829	3.1
179.03435	1.8
251.02974	0.9
331.83395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03443	1.5
61.66350	0.8
64.58026	0.7
72.99342	1.5
76.37761	0.8
87.71338	0.8
99.00897	17.3
101.02426	4.0
114.12672	0.7
117.01958	8.7
119.24711	0.7
123.00880	1.4
125.02415	0.9
135.04543	2.9
145.01447	64.0
146.01805	1.3
163.02510	100.0
164.02872	1.5
169.01477	2.4
169.06323	0.8
253.85754	0.8
258.62427	0.8
275.01953	1.8
286.02148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0718
Annotation	Dihydrosterigmatocystin
Peak:m/z	Relative Intensity
59.42761	0.4
65.15991	0.4
65.25186	0.5
69.07948	1.8
69.08356	1.0
71.63045	0.4
72.14440	0.4
81.21416	0.4
145.01299	0.4
171.04547	0.8
172.05360	1.5
180.05711	0.5
184.05328	2.6
186.03337	0.5
195.08147	0.7
197.09698	1.0
198.03146	0.5
207.08229	0.5
209.05983	0.6
210.03133	0.5
211.03992	1.4
212.04851	0.7
213.09254	2.0
214.02673	0.9
223.07687	1.8
225.09232	3.3
226.02774	0.9
226.06500	0.7
227.06906	0.5
233.05968	0.7
235.07562	0.6
236.04865	1.0
237.05518	1.1
238.06325	0.5
239.03499	1.0
239.07213	0.6
240.04340	1.3
241.08778	2.3
242.02248	1.7
251.03340	0.5
251.07153	3.4
252.04364	0.8
253.05159	0.7
253.08775	1.8
254.05956	0.7
256.03818	1.7
261.05643	1.2
263.03610	0.7
264.04251	1.4
265.05093	1.5
267.03021	4.0
268.03784	1.9
269.08191	3.7
270.01733	0.9
277.05118	1.0
279.03122	2.2
279.06686	4.7
280.07071	0.6
280.40421	0.4
281.04581	5.2
281.08170	1.5
282.05377	5.4
283.05649	0.6
284.03375	0.5
289.05026	0.8
292.03818	1.7
295.05927	2.0
296.03317	4.4
296.06918	3.8
297.04315	0.7
297.07690	10.2
298.08044	1.1
306.05466	0.5
307.06125	7.1
307.18939	0.6
308.06735	0.9
309.04099	5.6
310.04745	2.4
325.07202	100.0
325.20071	1.7
326.07550	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	325.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01380	18.8
66.03483	0.9
69.03458	2.8
71.01378	11.4
72.00908	1.4
73.02946	2.6
74.99374	1.1
82.02996	1.8
83.01442	1.0
85.02941	5.7
89.02451	11.1
94.02985	1.1
96.04558	4.4
98.06161	1.0
101.02457	6.0
110.02494	0.9
111.01993	2.9
111.98907	1.3
113.02469	3.2
117.00471	0.8
119.03522	4.0
122.00967	0.7
124.02546	1.3
125.02460	1.1
126.02013	1.0
127.02569	0.8
127.05086	0.8
128.03560	7.3
131.03455	0.9
135.99052	0.8
136.02565	1.8
140.02049	2.9
141.00519	2.3
143.03529	1.3
145.06137	1.5
148.02538	0.8
150.00494	2.6
152.02031	1.6
154.03667	0.8
161.04677	0.9
164.32301	0.7
166.03603	3.0
168.01538	100.0
169.01704	7.3
177.01547	15.2
178.01759	0.9
179.05609	3.1
181.07278	1.2
182.03059	2.3
184.01057	1.3
186.02605	4.8
190.03590	1.1
192.01505	2.7
192.05205	3.4
193.01088	1.1
193.07188	3.4
195.02589	3.9
196.04684	2.8
201.05246	2.3
203.06842	1.9
208.04648	1.6
210.02602	17.8
210.04582	1.1
211.02428	2.0
219.06299	1.1
220.04642	24.8
220.06773	1.2
221.04875	2.1
221.07970	1.2
226.05733	1.2
228.03505	1.0
232.03416	1.9
235.05664	5.4
236.04190	0.9
236.07678	0.9
238.05719	10.6
239.05846	1.2
243.06213	1.0
243.09846	4.8
245.04192	7.1
245.07774	2.2
247.05742	62.7
248.03639	0.8
248.06033	6.5
263.05231	5.3
263.08807	0.8
264.05203	1.1
265.06808	58.4
266.07162	5.3
289.06824	8.6
290.06882	1.6
307.07739	5.6
308.07858	0.9
314.80658	0.8
325.05423	2.0
325.11615	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	325.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.3
69.03453	2.5
69.27776	5.1
70.90808	0.8
71.01380	5.3
73.02963	1.5
82.03001	3.3
85.02947	5.5
89.02457	6.4
93.03476	1.6
94.03035	1.1
94.11695	0.9
96.04573	5.4
98.06099	1.9
99.00879	2.0
101.02451	3.7
108.70317	1.0
113.02485	2.8
119.03506	2.0
123.00856	1.2
124.02587	1.1
125.02456	3.5
127.05161	2.4
128.03546	12.4
129.99969	1.1
131.01961	0.9
134.04787	1.0
136.02563	1.8
140.02045	1.9
141.00391	1.1
145.01468	3.1
145.05081	1.4
145.06194	2.6
152.02116	1.8
163.02525	4.5
166.03625	2.9
168.01546	100.0
169.01587	10.7
174.03978	1.1
177.01576	17.6
177.54375	0.9
179.05643	1.4
182.03131	2.7
186.02596	4.0
191.03511	1.5
192.05170	3.0
193.03470	2.0
195.02684	5.5
196.04706	1.6
201.05223	1.9
203.06837	1.7
208.04614	2.3
209.04330	1.1
210.02583	14.9
211.02655	1.8
219.06358	1.2
220.04674	25.2
221.04872	4.0
228.03738	1.5
232.03476	1.1
235.05803	5.4
236.04121	2.3
237.03955	1.4
238.05745	13.4
243.09868	14.2
245.04201	6.9
245.07851	2.9
247.05765	57.7
248.05966	5.3
263.05261	6.1
265.06821	55.9
266.07132	4.7
289.06812	9.7
307.07816	6.3
325.08417	2.4
325.11713	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
57.03456	0.8
59.01389	1.2
60.58529	0.6
60.74954	0.5
67.34525	0.6
71.01395	1.0
72.99300	1.0
73.02982	0.6
76.01789	0.6
83.01372	0.6
85.02992	0.7
89.12197	0.6
92.02656	0.6
96.96028	1.0
97.02973	0.7
99.00889	6.2
101.02472	1.7
109.02979	2.5
117.01952	2.5
119.05041	100.0
120.05385	3.7
121.02976	0.8
123.00919	0.9
123.04516	2.7
125.02451	2.9
133.02986	2.5
135.04521	6.6
145.01443	22.7
145.02679	1.1
146.01801	0.9
149.02452	0.6
149.47423	0.5
151.04022	0.9
157.41261	0.5
161.02437	1.9
162.03223	0.6
163.02530	20.7
163.04033	81.6
163.05988	5.4
164.02995	0.7
164.04341	3.0
169.01462	1.2
177.02036	0.7
179.03482	5.0
201.05389	0.5
203.07132	0.9
205.05112	1.1
222.59840	0.5
245.00757	0.7
245.08244	2.2
275.02151	1.2
289.07272	10.0
290.07678	0.7
331.66162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
58.00629	0.7
59.01384	6.4
69.50465	2.8
71.01388	5.3
71.05012	2.4
72.99313	5.4
73.02953	6.4
75.00877	35.3
81.03460	4.0
85.02955	1.4
87.00886	2.9
87.04523	1.3
89.02447	1.0
93.03476	1.8
93.81806	0.6
96.95399	0.9
96.96019	14.0
99.00893	11.9
99.04514	5.2
102.22709	0.7
102.64386	0.7
107.61569	0.7
108.02916	0.7
111.00898	0.7
112.98827	2.4
116.91933	0.6
117.02057	0.8
119.05039	48.7
120.05379	2.2
125.02451	2.1
129.01917	0.8
143.03514	11.2
145.01440	2.1
145.02959	1.5
161.04578	14.1
162.04858	0.7
163.02599	2.7
163.04024	67.4
164.04388	2.8
169.01460	1.1
179.05630	100.0
180.05981	3.1
193.91544	0.6
281.10703	4.3
294.04868	0.7
325.09485	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	325.1084
Annotation	Moracin O
Peak:m/z	Relative Intensity
59.01376	0.5
61.41683	0.5
69.66732	0.9
79.67867	0.6
92.18196	0.5
93.03468	0.8
109.02975	0.9
117.03436	0.6
121.02966	1.5
135.04547	0.6
137.02374	0.5
137.56357	0.6
139.54559	0.6
145.02940	1.0
146.03751	0.8
147.04561	0.7
159.04520	0.7
167.08713	0.7
169.01526	0.6
173.02446	2.5
187.04097	1.3
188.04860	1.2
193.06644	1.2
195.04538	2.5
195.08182	2.4
196.05281	2.6
196.63396	0.6
197.06075	1.2
205.06639	1.0
206.07204	0.6
209.06122	2.3
210.06853	1.2
211.04129	1.4
211.07698	2.4
212.08003	0.7
219.04628	0.8
220.05228	1.3
221.06029	4.8
222.06877	2.4
223.04016	2.4
223.07578	3.6
224.04836	3.0
225.05630	1.9
236.04674	0.6
237.05574	13.1
238.06328	5.6
239.07133	8.6
248.04713	3.3
249.05612	9.4
250.06268	3.5
251.03558	3.3
251.07129	2.1
252.04224	1.4
252.07530	0.5
253.05081	0.8
253.08780	0.8
265.05042	4.2
266.05814	3.4
267.06638	40.1
268.06964	3.6
276.71002	0.6
277.05017	3.5
278.05951	1.2
279.06638	3.3
280.07233	0.7
281.08313	2.5
282.08957	0.9
293.04761	0.6
293.08121	0.7
294.05380	2.0
294.08966	1.5
295.06146	100.0
296.06445	8.2
309.07733	3.8
310.08493	67.7
311.08826	5.9
325.10831	98.4
326.11163	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	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62892	1.8
55.82473	1.7
59.01383	100.0
64.19222	1.7
71.01393	10.9
73.02946	22.7
83.01392	3.3
84.64820	1.6
85.02972	2.2
86.36087	2.3
89.02473	3.9
95.01364	2.1
96.96013	4.4
97.83226	1.7
99.06415	1.8
101.02451	12.5
112.22927	2.0
113.02451	7.5
124.01685	11.4
125.02458	10.3
139.00336	2.0
150.09161	2.4
163.02452	2.5
168.00711	2.2
169.01393	9.6
197.16989	1.9
198.92459	1.6
224.03392	2.6
240.02759	2.9
269.04761	2.3
281.10156	2.2
289.56943	1.9
296.72885	2.1
325.09479	25.0
325.59427	10.0
326.09918	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.0
62.04272	3.5
66.64889	3.0
69.69326	12.5
81.03456	6.2
83.05035	5.7
95.05018	3.8
97.02925	5.3
97.06578	4.4
98.22695	3.7
123.04538	6.8
125.09690	17.0
149.15768	3.5
167.10732	9.9
185.11839	6.0
207.10309	6.6
209.11902	17.5
225.11302	3.6
281.04413	6.0
289.18018	4.2
296.03513	4.4
296.06970	3.9
297.07547	10.7
307.06076	5.5
307.18964	6.5
309.04071	6.4
310.04822	6.5
325.07178	100.0
325.18335	4.7
326.07385	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03448	3.2
59.01369	1.3
69.03429	0.9
70.65826	1.7
71.01389	5.5
71.05025	2.8
72.02180	1.8
73.02921	2.1
80.02665	1.5
81.03466	1.8
81.07070	0.9
83.05033	5.7
84.02168	4.2
85.02957	1.1
95.05045	2.0
95.68537	0.8
97.06593	4.9
98.38908	0.9
99.04537	2.0
99.08165	4.4
106.04277	0.9
109.06593	3.5
111.04500	1.3
111.08128	1.3
113.06113	1.0
115.07641	2.5
121.13080	0.8
123.08177	2.8
125.09740	7.8
127.06802	1.6
127.07662	17.6
127.11293	1.2
135.08156	3.5
137.09760	1.5
139.07654	5.1
153.09232	15.8
155.10812	3.0
163.11336	4.8
164.08250	1.0
165.12872	2.9
171.10289	19.1
178.09996	3.3
179.10718	1.2
185.11856	19.3
191.10785	2.1
191.14449	2.1
197.11835	19.6
201.11356	3.8
207.10281	1.9
209.11842	80.0
210.12164	3.4
211.13367	3.1
227.12936	1.3
236.10437	2.2
237.14977	9.4
238.12122	7.0
239.12737	1.0
239.16501	1.2
245.19095	2.7
249.14964	1.7
251.16495	2.0
253.79465	0.9
256.13223	3.4
264.65640	0.9
279.19641	1.6
281.21106	2.1
289.18127	15.8
290.18457	1.6
307.19171	100.0
308.19507	8.0
325.20215	50.7
326.20483	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49759	1.3
57.03439	5.3
58.00590	2.0
59.01369	1.9
59.35366	1.4
66.65933	1.1
71.01394	1.5
73.02947	3.0
74.56189	1.2
80.02679	1.7
83.05038	3.0
84.02148	1.7
95.05028	1.3
97.06595	4.0
109.06612	3.2
110.03711	1.9
111.08170	24.6
121.06652	1.3
123.08153	4.9
125.06081	2.2
125.09738	31.7
127.07643	2.5
127.11298	13.6
135.08170	2.1
137.09703	9.5
141.09247	2.9
141.12817	1.8
151.11288	4.6
153.09256	6.0
155.09653	1.3
155.10808	5.2
164.08463	3.0
165.09219	4.6
167.10754	2.5
169.12337	2.9
171.10283	17.6
172.10443	1.5
181.12413	1.4
195.10236	3.9
197.11819	4.8
199.09784	5.2
201.11330	87.0
202.11699	3.9
209.11818	8.8
211.13412	5.1
213.11334	54.6
214.11676	2.9
223.73482	1.2
227.13023	1.9
237.14893	1.4
245.19017	2.6
279.19678	1.6
289.18155	22.1
290.18472	2.2
307.19156	52.6
308.19476	4.1
325.20203	100.0
326.20642	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31851	0.7
53.15440	0.8
57.03435	1.2
59.01384	2.6
60.54755	0.7
69.03469	1.1
70.32349	0.7
70.73299	1.3
71.01376	4.0
71.05030	0.9
72.02197	1.2
80.02689	2.0
80.94578	0.7
81.03471	2.4
83.05042	7.6
84.02180	3.4
85.02970	1.3
88.98834	0.9
89.02434	1.1
95.05045	1.6
97.02986	1.4
97.06603	1.5
99.08192	4.0
99.08768	0.8
109.06603	2.7
111.08176	1.4
115.07666	2.4
125.09734	4.1
127.07660	15.0
128.08026	0.8
135.08156	1.8
137.09726	0.9
139.07683	3.5
145.01501	1.0
155.10782	3.0
163.02547	2.1
163.11385	5.8
165.12886	3.0
169.01474	1.0
171.10265	1.3
178.10027	2.3
181.12387	1.3
185.11847	15.7
191.10834	2.1
195.10341	0.9
197.11850	17.8
199.13536	0.8
207.10321	1.4
209.11850	100.0
210.12210	5.1
224.45747	0.8
227.07182	1.2
227.12952	3.9
236.10582	1.7
238.12099	6.9
245.18994	1.7
245.86514	0.8
251.16556	0.8
253.12978	1.1
256.13193	3.5
265.07620	1.1
271.40479	0.8
279.19800	0.9
281.21317	1.1
289.18182	7.1
307.19180	73.4
308.19495	5.0
325.07242	2.0
325.11172	0.8
325.20261	29.6
326.20419	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	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
59.01390	1.8
60.96993	0.9
64.82320	0.9
71.01402	0.9
74.87739	1.0
80.02670	2.5
81.03465	2.2
83.05022	9.6
84.02180	1.8
93.03484	1.1
95.05016	1.4
97.06604	2.4
98.21910	2.7
112.05327	1.5
115.07671	9.7
125.06151	1.1
125.09769	1.8
137.09709	1.5
145.72215	1.1
147.11885	1.5
155.10773	8.7
160.84180	1.1
163.11288	7.7
165.12846	5.0
178.10031	4.8
181.12396	2.0
185.11906	1.4
191.10809	2.1
197.11870	1.4
204.76256	0.9
207.10275	2.8
209.11842	100.0
210.12083	4.5
245.19302	1.2
253.17915	1.1
263.20380	1.1
279.19684	1.5
281.21127	1.1
289.18115	4.7
307.19171	98.6
308.19461	8.1
325.07260	1.6
325.20380	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	325.2021
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
58.00577	3.3
58.34060	3.4
59.01366	14.4
71.01376	8.1
71.05025	4.4
84.02197	5.1
85.02973	4.1
95.05013	11.9
97.06612	5.2
99.08199	5.4
111.08172	21.2
123.08182	10.3
125.09657	8.4
127.07638	19.5
127.11182	3.8
135.08200	4.7
139.07639	4.3
153.09142	4.7
155.10776	8.8
163.02541	4.7
163.11314	4.3
167.10786	4.4
167.14389	7.0
171.10274	30.9
178.10005	4.3
185.11855	29.0
197.11819	36.1
199.13396	7.3
201.11320	30.8
209.11861	65.2
210.12238	3.7
211.13393	5.6
213.11328	10.1
215.12712	6.2
227.12915	33.9
229.06786	3.9
229.14380	11.8
238.12083	8.7
245.19077	5.4
249.15039	5.0
263.20285	5.3
289.18167	18.8
307.19138	100.0
308.19452	10.6
325.07236	13.5
325.20288	84.5
326.20508	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	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
56.17632	0.3
58.67344	0.3
69.46504	1.1
70.79710	0.3
78.63580	0.2
80.11363	0.3
91.51077	0.3
114.90543	0.3
133.06609	0.5
149.09734	82.2
150.10086	3.3
163.11301	90.2
164.11638	4.5
183.01227	7.8
184.01932	0.8
312.13855	0.4
325.18378	13.6
325.21747	100.0
326.18665	1.5
326.22101	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	326.022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.98833	3.5
70.00507	0.4
70.00835	0.7
72.03745	0.3
82.95422	0.5
91.58036	0.3
107.38272	0.3
116.52023	0.4
140.02077	2.8
141.99934	0.6
147.47311	0.3
181.95317	1.8
182.95428	0.3
183.95100	1.3
184.01033	100.0
185.01193	7.3
193.63370	0.3
230.24016	0.3
298.35150	0.4
326.02307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79044	0.1
78.54343	0.1
91.05540	1.5
106.31674	0.2
109.02909	0.2
117.03425	0.6
119.05031	0.3
121.03004	0.1
125.02393	0.2
135.04486	0.6
137.02406	0.5
141.07121	0.2
145.02969	6.5
146.03624	0.7
147.04523	0.4
152.06354	0.2
159.04491	0.4
165.05554	0.5
165.06947	0.2
167.04982	0.3
168.05829	0.3
169.01443	0.2
169.06500	0.2
171.04509	0.2
171.08098	0.6
172.21341	0.1
180.05858	0.9
181.06538	0.6
182.03600	0.2
182.07335	0.3
183.04388	0.2
183.08122	0.3
185.02509	0.4
193.06616	0.4
194.07361	1.1
195.04535	0.8
195.08087	0.6
196.05304	2.8
196.08939	1.0
197.05894	0.6
197.09714	0.8
197.19618	0.2
199.07587	0.3
207.08188	0.7
208.05281	0.4
208.08685	0.2
209.06090	2.0
209.09734	0.8
210.06848	2.7
211.07657	1.4
212.08223	0.2
213.09038	0.3
215.18471	0.1
219.08170	0.2
221.06111	0.6
222.06824	1.1
223.04111	0.9
223.07608	1.0
224.04811	10.3
224.08211	2.0
225.05460	1.0
225.09210	2.1
226.06334	0.4
226.09689	0.3
227.10770	2.7
229.08711	0.3
234.06766	0.2
235.07664	0.9
236.07976	0.2
237.05588	3.6
237.09256	0.5
238.06357	18.8
239.06985	2.0
239.10773	3.2
239.13200	0.2
240.00528	0.2
240.07811	0.2
240.11278	0.4
241.08728	5.2
242.05795	0.2
242.08986	0.4
243.10300	0.3
249.05569	0.2
249.09460	0.2
251.03413	0.2
251.07185	0.7
252.04269	2.0
252.07896	2.1
253.04814	0.4
253.08662	2.3
254.09503	4.0
255.10274	11.5
256.10565	0.8
262.06409	0.4
263.07034	0.4
265.05054	1.8
265.08636	0.7
266.05838	9.3
267.06488	1.3
267.10144	1.5
268.10742	0.3
269.08322	0.2
269.11887	3.8
270.05371	1.6
270.12589	3.1
271.12872	0.3
273.11194	0.2
279.06464	0.2
280.07437	1.1
281.08209	1.6
282.09015	3.2
282.12186	0.3
283.09775	58.6
284.10110	4.9
293.08182	1.1
294.08890	0.3
295.09821	1.9
296.10461	0.3
297.04080	0.2
297.11340	2.7
298.04843	0.3
298.12137	7.3
299.12451	0.7
308.10529	0.2
309.07880	0.3
309.11304	0.6
310.08603	1.7
311.09274	100.0
311.99265	1.1
312.09647	9.3
325.06943	0.2
325.10852	6.4
326.11618	80.5
327.01395	0.6
327.12003	8.6
330.11145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25980	86.4
59.80530	75.6
61.64431	78.0
81.07442	90.0
84.77007	87.5
89.82137	87.7
96.74059	95.7
101.74021	88.7
127.80196	89.1
144.05774	79.2
146.21811	80.4
150.13040	94.4
150.59358	100.0
244.46570	96.5
322.26212	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01359	0.8
61.98799	1.3
63.21215	0.6
85.02907	0.8
85.04542	0.6
97.06582	0.8
99.90544	0.7
116.02682	0.6
116.92824	2.1
121.02923	0.8
132.02193	1.6
144.02158	2.4
156.02199	10.9
160.01636	1.3
166.56464	0.8
168.91412	0.8
171.10274	2.1
172.01651	3.3
183.14050	0.8
184.01672	12.0
185.01898	0.9
188.01146	0.9
200.01161	12.0
211.13400	1.9
212.01175	10.7
216.00597	0.9
220.62601	0.8
226.02661	0.7
226.99821	0.8
228.00682	8.2
229.14226	1.3
240.00664	15.0
241.01169	1.0
241.21643	0.6
253.98480	0.9
254.99309	3.8
256.00140	6.0
264.33514	0.7
282.98929	2.0
283.99670	11.1
284.99896	0.8
297.04163	1.7
299.61163	0.7
310.98349	0.9
311.99146	100.0
312.99432	7.2
327.01483	49.6
327.08749	1.7
327.21765	14.5
328.01837	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	327.036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03270	0.7
51.29843	0.7
59.01385	21.7
63.27657	0.7
69.03456	0.6
69.53146	2.9
71.01389	24.5
71.01791	1.3
72.99316	4.8
73.02962	2.4
78.95911	1.0
79.19431	0.8
81.03470	3.9
83.01373	0.9
85.02972	4.0
87.00886	40.9
87.04485	0.6
88.01227	0.8
89.02445	5.8
93.03451	0.7
95.01416	0.9
96.96033	2.3
97.02962	0.7
99.00906	6.0
101.02450	2.9
111.00888	5.0
112.02663	0.7
113.02460	4.6
115.00386	70.5
116.00720	1.5
117.00481	0.9
117.01901	0.6
119.03513	2.8
121.02956	1.5
123.00915	1.2
124.01691	3.0
125.02455	10.3
127.00389	1.3
128.03537	1.5
128.58521	0.8
128.95226	0.7
131.03595	0.9
135.04558	2.1
136.94019	3.0
137.06061	1.8
139.00397	1.6
142.96594	1.4
143.03539	1.6
149.02429	0.7
152.91771	5.4
159.01517	2.5
159.02983	1.8
161.04466	1.1
165.05573	2.0
165.07716	3.2
165.87859	0.7
166.99927	1.1
168.00609	0.9
169.01424	4.6
170.01253	4.9
172.21115	0.7
175.02499	100.0
176.02931	3.3
177.05627	1.5
179.05571	1.1
184.46472	0.7
184.99533	0.9
191.01994	4.1
191.05594	2.7
195.06702	1.4
202.07994	0.9
205.01727	0.9
205.03545	8.0
212.02412	0.9
222.04477	1.0
222.93425	0.8
240.94241	2.1
243.09889	1.4
249.05539	2.8
259.01654	1.2
267.06714	2.3
274.99475	1.2
282.95514	0.7
301.02792	1.2
327.03662	16.4
327.09497	1.1
327.12888	4.6
328.03833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
59.01383	3.4
69.03468	3.8
70.84422	1.0
71.01386	6.7
72.99316	34.5
75.00887	9.6
81.03467	33.7
85.02972	4.4
87.00883	3.7
96.96064	1.2
97.02969	2.3
99.00896	24.9
99.04552	2.1
101.58356	1.1
113.02457	10.5
115.04047	1.8
117.01952	4.8
121.02974	13.1
124.01693	2.3
125.02464	87.2
126.02798	3.2
131.03543	2.6
135.34560	1.1
137.02481	1.2
143.03499	14.6
147.09772	1.1
148.08446	1.2
149.02487	3.1
161.02499	2.2
161.04619	5.1
163.00427	1.4
165.01949	3.2
165.05583	1.3
168.00656	1.9
169.01459	4.3
177.01971	3.9
177.04102	1.6
205.03558	100.0
206.03873	3.3
208.60866	1.1
289.07166	3.2
295.04718	1.4
297.04019	2.2
327.07687	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97015	5.2
59.01390	8.9
63.78191	6.0
69.83492	5.5
71.01388	15.0
72.99315	31.4
73.08952	5.2
75.00889	24.9
75.15206	5.1
81.03484	25.2
83.01399	8.7
85.02982	6.3
95.05041	6.4
99.00900	20.4
109.02970	19.7
113.02479	8.8
119.98373	6.5
121.02987	16.3
121.34813	5.8
123.04549	6.4
125.02454	100.0
137.02469	90.6
143.03497	16.4
149.02426	15.3
150.03226	8.6
151.04054	10.9
153.01901	7.3
154.35638	6.1
161.02469	13.8
165.01941	9.9
165.04117	28.6
165.05598	14.2
169.01468	7.9
175.02531	8.4
179.03476	7.6
205.03532	89.0
243.03117	5.4
269.04312	5.9
295.12695	6.2
297.04056	13.8
327.04996	28.5
327.08301	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	327.1088
Annotation	Androsin
Peak:m/z	Relative Intensity
59.01381	0.7
63.38930	0.3
70.63665	0.8
71.01392	2.8
72.99313	0.3
73.02956	1.0
77.03974	0.6
79.63731	0.3
81.03500	0.5
83.01413	0.3
85.02975	1.1
87.00890	4.7
93.03472	1.3
95.01418	1.0
95.05046	1.2
99.00900	0.6
101.02460	1.5
105.03432	0.4
113.02465	1.4
121.02960	10.4
122.03729	0.9
123.04568	0.7
125.02453	0.9
149.02461	82.2
150.03249	74.7
151.03554	2.8
159.02954	0.3
163.04002	1.1
164.04817	29.4
165.05586	100.0
166.05934	5.0
192.04340	0.5
205.03571	1.2
207.06636	1.0
286.69305	0.3
299.00778	0.3
327.10889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.124
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
58.28198	0.4
58.29319	0.4
59.60549	0.4
60.93816	0.4
65.42804	0.4
69.20768	2.4
77.03945	1.4
78.06424	0.4
90.02420	0.4
93.03459	2.7
95.01380	1.8
95.05032	1.9
96.96014	0.8
98.22552	0.9
102.94066	0.4
105.03463	0.7
121.02970	16.3
123.04542	0.6
124.01661	1.6
125.02432	1.4
126.02734	0.4
132.02226	0.9
135.04597	0.5
139.00446	0.5
145.02950	0.4
146.03749	1.1
147.04556	2.8
148.01726	0.6
149.02457	100.0
150.02769	3.7
164.04803	15.5
165.05597	5.7
169.01427	1.2
177.05611	0.4
179.07172	1.0
210.00906	0.4
225.05629	0.5
239.07239	0.6
239.10921	0.5
251.07249	0.8
253.05106	0.6
254.06081	0.5
264.07913	0.6
265.08743	0.7
267.06711	0.9
268.07352	2.0
269.08215	1.4
280.07449	2.0
281.08221	1.2
283.09787	3.3
284.10428	1.1
295.09842	0.7
297.04318	0.6
297.07874	1.5
312.10062	30.4
313.10519	2.2
326.60251	1.2
327.12454	32.1
327.61069	1.5
328.12805	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	327.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
65.00321	0.4
66.93729	0.3
69.29645	1.2
77.03981	1.2
93.03473	2.0
95.01408	1.3
95.05015	1.9
98.21829	0.4
99.95282	0.3
105.03442	0.7
107.01323	0.5
109.03029	0.4
117.79350	0.3
121.02968	15.6
122.03288	0.5
123.04549	0.8
125.02437	0.3
127.00409	0.3
129.03450	0.6
130.04340	0.3
130.67885	0.3
132.02206	0.9
142.35478	0.3
146.03798	1.4
147.04532	3.2
148.01675	0.7
149.02454	100.0
150.02792	3.5
153.05568	0.4
161.06187	0.6
163.04016	0.3
164.04810	17.4
165.05586	4.5
166.05878	0.3
175.03986	0.3
179.07187	1.1
223.07573	0.3
235.07722	0.5
240.08087	0.4
251.07184	0.9
252.07814	0.4
253.08649	0.4
263.07132	0.4
264.07776	0.3
265.08612	0.4
267.06653	0.4
268.07474	1.7
269.08087	1.9
279.06549	0.4
280.07455	1.9
281.08157	1.3
283.09738	2.7
284.10364	0.6
294.97430	0.3
295.09836	0.5
297.04428	0.4
297.07703	2.5
312.10046	31.5
313.10406	2.3
327.12393	30.9
327.20859	0.5
328.12689	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18555	0.2
52.49190	0.2
54.98109	0.2
59.01395	0.3
65.00330	0.5
77.03963	1.3
79.12875	0.2
88.01213	0.2
93.03454	2.6
95.01382	1.7
95.05013	2.0
105.03471	0.8
112.67908	0.3
119.05007	0.3
121.02966	16.9
122.03298	0.6
123.04530	1.0
129.03484	0.7
130.04274	0.3
132.02164	1.0
145.06573	0.5
146.03754	1.3
147.04518	2.9
148.01663	0.7
149.02457	100.0
150.02791	3.8
161.06081	0.3
164.04810	15.6
165.05591	4.8
175.04027	0.5
179.07193	1.3
180.14076	0.2
220.96875	0.2
235.07654	0.5
240.08020	0.3
251.07211	0.9
252.07805	0.3
253.08588	0.5
261.05582	0.3
263.07050	0.5
264.07922	0.4
265.08777	0.4
267.06592	0.4
268.07477	2.3
269.08145	1.5
279.06567	0.6
280.07465	1.8
281.08160	0.9
283.09760	2.4
284.10519	0.6
295.09756	0.4
297.04248	0.5
297.07666	2.5
299.37549	0.3
309.11591	0.3
312.10065	27.6
313.10419	2.4
327.12390	29.3
327.21701	0.7
328.12823	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	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.7
58.34793	0.8
59.01376	3.6
61.98829	1.4
68.11322	0.8
69.03474	1.7
69.95972	3.2
70.07904	0.8
80.95320	1.0
82.79599	0.9
82.83453	1.0
88.51482	0.8
88.93327	1.0
89.72333	0.9
97.06602	2.2
111.08163	8.8
125.09757	1.3
127.07607	1.7
137.09740	3.4
153.83340	0.9
168.91469	1.3
169.12378	5.2
171.10292	9.4
172.10535	1.1
173.31395	0.9
181.12408	1.9
183.13977	1.3
185.11923	1.4
185.97391	0.8
185.99567	0.9
197.11850	44.3
197.99690	1.0
198.12131	1.6
198.59549	1.0
199.13422	9.2
201.11385	2.2
207.06458	1.0
211.13422	7.3
215.04428	0.9
221.11681	1.4
229.14394	1.9
269.98154	4.6
285.00357	1.6
291.19690	3.4
297.04187	1.7
297.97571	8.2
309.20715	4.2
312.99826	8.8
327.21790	100.0
328.02127	4.6
328.22125	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	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.50520	0.5
57.03441	1.0
58.00597	2.0
59.01380	4.7
71.01390	0.6
73.81859	0.5
80.76502	0.4
83.05054	1.1
87.04543	0.6
97.06598	2.3
111.08173	7.3
125.09748	0.6
127.07663	1.5
130.39816	0.5
137.09698	0.9
153.12856	1.3
169.12367	4.9
171.10258	2.2
179.10742	0.6
181.12364	2.4
183.13933	0.8
185.11916	0.7
193.12480	1.0
197.11845	45.5
197.99567	0.9
198.12218	2.1
199.13403	6.7
200.13730	0.8
209.11923	0.9
211.13470	5.5
213.99094	1.1
221.11836	0.9
227.12885	1.1
229.14409	1.6
239.16573	2.9
241.98587	0.6
263.20081	0.6
269.98050	5.6
273.18729	0.6
285.00375	1.6
291.19693	3.7
297.97629	7.8
298.00989	1.0
309.20746	3.0
311.99103	1.5
312.99936	10.7
327.01370	1.4
327.05042	1.2
327.21780	100.0
328.02148	6.8
328.22168	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01869	0.7
57.03447	2.2
59.01402	0.7
69.03467	1.4
69.42719	2.5
80.37143	0.6
83.05049	1.0
85.02962	5.7
95.05013	0.6
97.06606	4.6
125.09751	1.5
125.39643	0.7
127.11299	2.8
136.17599	0.7
137.09743	0.8
155.10698	0.7
165.12856	1.8
167.14404	1.3
171.10297	11.3
177.12831	1.4
183.13914	4.6
185.11848	1.5
193.12329	1.7
209.11835	2.3
211.13416	24.2
212.13715	0.9
221.11862	3.4
229.14481	15.9
230.14850	1.2
239.12903	2.2
291.19641	2.9
309.20679	1.9
327.21793	100.0
328.22141	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03452	0.9
59.01381	1.5
69.03454	1.4
70.03335	0.9
70.93462	1.0
71.01382	1.3
71.05027	1.4
73.02946	4.9
76.13099	0.8
85.87029	0.8
97.06604	2.9
98.03762	1.8
99.08147	2.2
109.06660	1.1
111.08154	0.8
112.05292	2.6
113.09714	1.0
113.86977	1.0
115.07640	3.1
125.09742	3.0
127.07661	5.1
127.11286	2.6
129.09229	40.8
129.10201	2.0
130.09552	1.5
141.09219	13.6
141.12865	1.5
147.02412	1.0
155.10793	27.2
156.11162	1.0
163.11157	0.9
165.12857	1.5
171.10283	22.1
179.10841	0.9
183.21310	0.9
185.11841	56.3
186.12096	2.0
196.12033	0.9
197.11838	45.2
197.45105	0.9
198.12184	3.4
209.11800	8.6
211.13481	1.9
232.10901	1.3
247.13460	5.1
247.20604	1.2
248.02463	0.9
261.24594	1.1
291.19641	12.7
292.20050	1.5
308.05219	1.0
309.20724	32.2
310.21118	4.1
327.09055	5.1
327.21774	100.0
328.22208	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29979	18.9
59.01365	44.3
61.98837	41.5
70.95580	29.0
81.03500	22.1
83.05027	25.7
88.28365	21.2
97.06582	27.0
100.81133	20.1
108.95752	19.4
119.94691	25.0
121.02935	29.4
123.04455	23.9
123.08135	30.8
125.09755	100.0
126.03659	19.2
139.11314	51.2
155.04218	19.7
162.84015	31.6
162.91142	24.9
165.12834	45.9
167.10709	50.3
168.91434	41.6
209.11841	88.5
215.16595	32.7
244.91431	31.0
247.20677	31.1
291.19525	47.7
327.08636	39.0
327.21606	44.0
327.85574	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.7
58.00581	0.9
59.01376	1.0
66.72485	0.6
66.78115	0.8
69.03423	0.7
69.25085	1.9
69.25491	1.2
71.01394	0.8
71.05007	1.1
73.02946	2.2
80.02676	1.1
81.03439	0.9
83.05042	3.1
84.02174	1.5
95.05029	0.6
97.06606	1.4
98.03712	1.1
99.08139	2.3
111.08160	2.3
113.09708	0.7
125.09727	1.5
127.07643	2.7
129.09233	33.5
130.09573	1.1
141.09239	10.7
141.12866	1.7
153.12959	0.8
155.10764	0.7
163.11325	3.1
165.12845	1.6
166.78001	0.7
168.91432	0.9
169.12338	0.8
171.10301	2.7
181.12311	0.8
183.13939	0.6
185.11850	45.5
186.12166	2.1
197.11844	44.3
198.12167	1.8
199.13429	1.0
201.11499	0.9
209.11855	40.5
210.12224	2.6
211.13292	0.9
213.13460	0.6
227.12868	3.6
229.14391	0.8
247.20703	1.1
273.18491	0.9
291.19647	8.8
292.20142	1.5
297.04196	0.7
309.20758	15.1
310.20737	1.6
327.21783	100.0
328.22122	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	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
55.79181	3.8
56.96807	4.3
59.01387	100.0
65.26041	4.0
70.33303	12.2
71.54823	4.2
93.58260	4.9
118.22243	4.6
143.70837	4.7
193.95393	4.9
297.04694	4.1
327.29074	95.6
328.29434	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	328.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41434	2.3
59.01388	100.0
61.55142	2.3
71.01392	59.5
71.42886	2.7
85.02956	8.7
89.02459	75.9
89.03022	3.9
95.01397	6.7
101.02473	20.0
102.05624	2.5
113.02463	22.1
118.19816	2.2
119.03502	21.1
121.02940	8.1
128.03537	3.6
131.03534	2.8
135.04646	2.2
142.70775	2.2
145.74335	2.2
146.04712	3.8
147.04480	3.9
149.02466	34.5
149.04482	2.8
150.09276	2.7
159.04501	11.7
160.05339	25.8
161.04707	3.4
161.06104	8.2
164.04817	7.5
166.08760	5.9
167.07178	4.3
169.31816	2.4
175.07642	16.6
177.05589	3.4
178.06372	11.2
179.05649	7.5
192.07878	4.9
242.11815	2.8
266.49713	2.6
314.11578	9.5
329.13989	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0306
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
51.05772	0.5
59.01368	0.7
60.71918	0.5
70.75487	0.6
98.22695	1.2
103.15802	0.5
134.30840	0.5
161.04738	0.5
168.37112	0.6
173.02379	0.6
174.03201	1.4
200.01225	0.9
202.02751	2.0
213.02013	1.0
214.99913	1.0
228.00516	0.6
229.14548	0.6
241.01334	0.7
242.02031	0.8
242.99319	4.6
247.22362	0.5
258.01691	4.5
270.98859	49.7
271.99103	3.5
282.98932	1.0
283.99615	5.4
285.00455	19.2
286.01181	8.9
297.00528	1.5
298.98355	52.5
299.98770	3.4
310.98380	1.9
312.99924	40.8
314.00681	50.4
315.01022	3.0
328.22150	1.2
329.03046	100.0
329.23172	2.2
330.03415	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	329.0305
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
56.91909	0.8
59.01376	2.2
70.98157	1.3
71.59785	1.1
87.00901	1.2
88.44398	1.1
96.27447	0.9
96.96009	1.5
115.00411	1.3
120.78208	0.9
121.53922	1.1
184.91629	1.0
209.11778	1.1
214.99890	2.5
242.99312	12.9
269.08258	2.6
270.98853	85.5
271.99100	5.7
283.99432	1.4
285.00476	2.9
286.01123	1.4
293.55466	1.1
298.98358	93.0
299.98709	5.6
312.99969	3.5
314.00708	100.0
315.01007	7.0
329.03058	61.7
329.10565	1.9
329.13953	2.9
329.16837	1.5
329.23044	1.7
330.03442	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.06116	0.3
57.65261	0.3
59.01388	1.4
69.03461	9.5
69.23517	0.6
69.23924	1.0
69.64994	0.2
71.01385	1.0
73.02947	0.3
79.01894	7.0
81.03471	0.5
83.01419	0.2
85.02957	0.4
89.02434	0.3
92.84153	0.2
93.03415	0.3
94.32183	0.3
95.01417	0.6
96.96008	1.0
97.02964	4.8
98.21789	0.4
101.02448	0.4
107.01398	18.2
108.02237	0.4
109.02978	0.8
113.02498	0.6
121.02975	0.9
122.03746	0.4
123.00890	0.7
123.04557	0.4
125.02464	11.5
133.02939	0.5
135.00897	5.6
135.04536	0.4
136.01689	1.6
137.02457	0.6
145.02950	0.4
149.02434	1.2
150.03091	0.3
151.00378	15.9
152.00786	0.4
153.01959	3.1
161.02486	0.4
161.04617	0.4
163.04051	2.2
164.04695	0.3
165.01895	0.7
166.02728	100.0
167.03488	11.5
168.03807	0.3
175.03949	0.3
177.01935	2.9
179.03445	0.5
181.05177	0.3
191.03479	0.6
209.04565	4.1
212.81921	0.3
221.04605	0.6
259.74042	0.3
297.06195	1.1
299.39969	0.3
327.20883	0.3
329.08826	12.3
330.09177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96393	1.1
57.03442	1.9
59.01385	100.0
69.47016	5.5
71.01376	4.4
73.02956	1.9
81.67155	1.3
83.01376	2.1
85.02957	2.7
99.00883	15.5
101.02448	5.6
113.02469	3.0
117.01957	7.0
120.76167	1.0
125.02551	1.4
125.39599	1.0
138.02962	1.2
145.01443	46.4
146.01854	1.3
149.02486	9.1
161.04538	3.5
166.02689	1.2
183.10277	3.4
269.10303	4.0
314.11652	2.9
329.09335	1.6
329.13611	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
50.89436	0.4
58.87464	0.4
59.01368	0.4
69.26315	2.5
93.03469	1.4
100.26436	0.4
103.05487	0.4
105.03489	0.7
108.02150	1.0
109.02960	0.5
115.05530	0.9
119.05016	0.8
121.02963	13.1
122.03759	6.7
123.00914	2.2
123.04549	1.5
123.67492	0.4
124.01695	1.4
130.04260	1.1
131.05054	2.1
134.03777	0.8
135.04561	0.7
136.05313	3.8
137.02455	1.0
137.06099	1.5
143.05046	3.3
145.02940	1.6
145.06581	0.7
146.03772	0.7
147.04532	10.1
147.05641	0.7
148.05011	0.6
149.02473	2.5
149.06104	1.5
150.03241	7.0
151.03998	0.7
153.05565	1.0
158.03738	12.4
158.79213	0.4
159.04530	43.5
160.05313	100.0
161.06091	39.4
162.03267	0.6
162.06364	2.3
163.04036	6.5
164.04796	8.6
165.05440	0.6
173.04607	0.6
173.06094	11.5
174.06866	4.6
175.07652	71.8
176.04832	1.6
176.07986	4.3
177.05576	13.8
178.06366	40.0
179.06723	1.8
191.07182	1.2
192.07932	14.7
192.09680	0.7
193.08688	7.7
223.09665	0.7
299.12900	1.0
314.11630	3.2
329.13956	97.4
330.07083	0.4
330.14276	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	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58260	0.3
71.39729	0.6
90.30740	0.4
93.03474	2.1
93.08153	0.3
102.52705	0.4
109.02966	1.9
121.02966	31.0
122.03309	1.3
133.02985	0.4
135.04535	3.4
145.02954	0.5
147.04538	10.0
159.04524	4.0
160.05301	1.1
161.06038	0.7
167.07144	0.6
168.05685	0.4
172.26886	0.4
173.06117	0.4
175.07726	0.4
184.05237	0.7
191.07114	0.6
192.07986	1.9
194.03902	0.3
195.08229	0.5
196.05267	1.7
197.06047	0.6
198.06726	0.8
199.07565	0.5
207.08026	0.4
209.06029	0.6
210.06857	0.8
211.03999	1.4
211.07648	0.8
212.04813	5.8
213.05435	0.9
213.09216	1.0
222.06879	1.0
223.03979	0.4
223.07614	2.4
225.05547	2.2
225.09236	0.9
226.06348	2.4
227.07185	0.5
227.10815	0.7
229.08649	0.5
235.07388	0.5
237.05688	1.0
238.06473	0.8
239.03647	0.6
239.07149	0.5
240.04323	6.2
240.06706	0.4
240.07945	1.0
241.04738	0.4
241.08669	2.4
242.09151	0.4
243.10260	2.3
244.10725	0.4
244.78273	0.3
250.06332	1.1
251.07126	2.1
252.07770	0.7
253.04932	1.7
253.08693	3.7
254.05891	10.9
255.06424	1.2
255.10199	2.2
256.10583	0.5
263.07089	1.1
267.06671	1.0
267.10199	0.3
268.07425	1.7
269.08206	78.5
270.08621	7.2
271.09781	9.5
272.10153	0.7
281.08197	13.0
282.08783	2.3
283.09744	4.2
284.10126	0.7
286.04916	0.5
297.07822	0.5
298.08533	1.4
299.09262	59.4
300.09531	4.9
313.10730	2.1
314.11618	75.9
315.11963	6.3
329.13943	100.0
330.14316	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	329.2336
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
58.00595	1.7
59.01376	3.1
64.61591	0.5
97.06587	0.7
99.08170	7.6
100.08469	0.5
127.07674	1.8
129.09238	8.0
130.09549	0.5
139.11223	0.8
153.04044	0.6
154.79916	0.5
155.10841	0.6
168.70395	0.5
169.12358	4.5
170.91089	0.5
181.12383	5.0
183.13911	1.6
193.12325	1.6
197.11870	2.1
198.43871	0.6
199.13428	18.5
200.13753	1.1
211.13416	13.3
225.86398	0.5
227.12927	0.7
229.14459	2.0
229.16493	0.6
275.20227	1.1
293.21237	4.3
311.22366	3.8
329.23355	100.0
330.23651	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	329.2334
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03442	0.8
59.01383	0.2
65.49461	0.2
69.03445	0.8
71.05014	0.3
81.03468	0.2
83.05031	1.0
84.02149	0.4
85.02970	0.5
97.06597	0.7
98.22617	0.5
99.08163	6.1
105.40968	0.2
125.09747	1.4
127.11299	3.2
128.96593	0.2
129.09227	0.5
137.09760	0.4
139.11295	2.4
151.11432	0.2
154.43951	0.2
155.10808	0.5
155.14438	1.1
163.11324	0.3
165.12849	0.8
167.10777	0.5
167.14427	1.6
171.10284	7.2
183.13908	6.7
184.14273	0.3
193.12321	2.4
194.12640	0.3
195.14017	0.2
199.13451	0.5
209.11873	1.6
211.13414	35.8
212.13768	1.6
229.14459	18.4
230.14848	1.3
235.61325	0.2
293.21262	0.9
311.22226	1.0
313.99826	0.3
329.23352	100.0
330.19739	0.4
330.23703	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	331.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03403	0.8
59.01374	2.2
71.01386	13.2
85.02963	2.2
89.99410	0.8
95.05045	2.4
96.96005	1.6
98.95577	2.3
101.02438	1.0
107.05064	1.2
113.02483	0.9
113.06086	2.4
115.00397	6.8
124.01623	1.8
125.02470	5.8
134.03763	1.9
135.04536	100.0
136.04886	4.4
136.32037	0.9
148.03911	0.8
149.02550	1.1
161.47658	0.8
163.00453	1.2
168.00641	1.3
169.01440	6.6
175.47507	0.9
179.03519	22.8
184.01967	1.1
189.11307	0.9
189.12927	3.6
203.85466	1.0
211.02527	4.7
217.39079	1.0
243.03166	1.0
251.12869	3.3
271.04584	7.8
287.02136	2.0
287.05524	1.2
295.04892	1.2
295.11899	11.0
331.09174	4.5
331.17523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52321	0.6
59.01392	3.8
59.76976	0.5
62.65710	0.5
69.03461	0.7
69.44801	2.6
71.01385	10.8
71.19444	0.5
78.16647	0.5
85.02938	1.1
89.02459	0.6
94.50246	0.6
101.02436	1.5
105.53585	0.6
107.01440	0.5
107.05029	1.1
114.45328	0.6
115.00379	6.1
121.02942	1.1
124.01663	1.4
125.02466	4.0
133.02963	0.7
134.03796	2.6
135.04541	100.0
136.04877	4.4
137.02505	0.6
137.06125	0.8
139.00392	0.7
149.02457	7.7
153.05579	1.9
163.00420	1.0
164.04825	1.0
166.02730	1.7
167.03134	0.9
167.10831	1.3
167.13680	0.6
168.00723	1.1
168.03239	0.6
169.01459	4.3
169.05060	0.6
171.02155	0.6
179.03517	39.7
180.03822	1.5
187.07646	1.3
211.02448	1.2
229.05045	1.0
233.89462	0.5
241.04921	0.6
259.06213	2.0
269.04315	0.7
271.04572	2.2
287.01880	0.9
287.05576	1.6
287.09952	1.6
295.04550	0.7
316.09579	2.1
331.08368	9.0
331.12140	1.6
331.17719	1.0
331.57956	0.6
332.08417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.83812	0.3
59.01382	7.4
67.01914	0.4
68.99827	0.4
69.01157	0.3
69.03450	0.3
70.11080	0.3
71.01383	3.1
72.99290	0.4
73.04958	0.3
80.78899	0.2
81.03468	0.4
82.00588	0.4
83.01374	0.5
84.50887	0.3
85.02952	0.5
89.02441	1.3
95.01413	0.4
97.02924	0.3
101.02434	1.1
107.01397	3.9
110.00047	0.5
111.00893	1.4
113.02450	0.9
119.03498	0.3
121.02965	0.3
123.00904	2.5
124.01666	13.8
125.02460	26.4
126.02782	0.6
127.00361	0.7
136.98807	1.0
137.02441	1.3
139.00400	1.7
139.04002	0.7
140.01161	3.1
141.01889	0.5
147.88179	0.3
149.02429	0.6
151.00325	1.5
153.01968	0.5
165.01924	1.1
167.03545	1.7
168.00662	15.5
169.01437	32.7
170.01793	1.1
175.00400	0.4
183.03056	0.4
193.01370	0.7
211.02492	57.1
212.02812	2.3
241.03574	1.9
271.04611	100.0
272.04944	5.6
285.07712	0.5
300.10144	0.8
331.06741	3.3
338.35461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65744	0.9
59.01389	9.5
65.08329	0.7
68.24667	0.7
70.72885	1.3
71.01399	5.6
85.02915	0.8
89.02486	2.1
92.18847	0.7
95.01418	1.1
97.02977	0.8
101.02447	1.0
107.01403	6.0
111.00890	1.9
113.02481	1.1
123.00918	2.2
123.98334	1.1
124.01680	22.0
125.02465	39.8
126.02832	0.8
131.08253	6.8
137.02472	1.1
139.00418	1.3
139.04033	1.5
140.01195	2.7
151.00388	2.0
151.06007	0.8
153.01996	4.5
165.02028	0.8
166.02960	1.3
167.03516	1.8
167.42952	0.8
168.00655	17.1
168.04288	2.7
169.01442	53.6
169.05119	3.4
170.01746	1.3
180.13905	0.9
183.03024	1.0
183.39903	0.8
208.03995	0.9
211.02505	66.1
212.03029	3.2
224.03532	0.8
241.03525	5.5
254.04605	10.6
256.42648	0.8
271.04636	100.0
271.07208	7.8
272.05005	5.9
312.84058	0.8
313.05457	1.4
331.06668	11.6
331.10159	1.1
332.07037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.07167	1.3
59.01386	34.5
69.26977	6.0
71.01392	16.3
79.01891	2.8
85.02954	3.8
89.02449	10.4
95.01389	4.5
97.03001	1.9
98.21840	2.3
101.02455	4.7
106.67256	1.2
107.01421	7.1
111.00956	1.8
113.02440	4.1
119.03487	2.1
123.00896	24.3
124.01681	14.4
125.02467	49.8
126.02831	2.1
138.05875	1.4
139.00410	2.0
141.01956	4.3
145.01363	1.3
151.00386	17.0
166.99910	1.8
168.00653	10.4
169.01439	87.8
170.01788	3.0
183.02979	1.8
193.01517	1.3
211.02505	24.5
241.03535	13.3
271.04620	32.8
331.06717	100.0
332.07101	7.4
335.54129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.17830	0.4
59.01124	0.8
59.01386	9.6
59.40389	0.4
60.01726	0.5
60.50174	0.4
64.88631	0.5
69.26109	1.7
71.01378	3.9
73.30461	0.4
74.90496	0.4
85.02952	0.8
89.02441	1.4
97.02985	0.7
101.02445	1.8
107.00822	0.5
107.01413	4.6
111.00869	1.6
113.02461	0.6
119.03485	0.4
123.00886	3.0
123.04467	0.6
124.01672	13.2
125.02464	24.2
126.02814	0.5
127.00391	0.6
136.98822	1.0
137.02489	0.5
139.00381	1.7
139.04022	0.9
140.01157	1.9
151.00410	1.7
153.01961	0.6
155.03314	0.5
165.01901	0.9
167.03534	2.1
168.00662	13.6
169.01447	32.3
170.01758	0.9
183.02985	0.5
211.02501	60.5
212.02831	2.1
212.41705	0.4
237.22997	0.5
241.03508	1.7
271.04623	100.0
272.04968	5.0
277.07108	0.5
298.04987	0.5
324.03442	0.5
331.06665	7.6
331.17596	0.5
332.07574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1038
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
54.66894	0.4
59.01397	0.7
71.01391	1.3
73.02927	0.5
81.19128	0.4
82.00603	2.5
85.02954	2.4
98.21913	1.2
101.02446	0.8
108.02162	0.6
110.00092	7.9
113.02451	2.1
124.01646	1.2
125.02451	5.7
137.02467	0.4
137.99609	9.5
138.03246	0.5
139.00407	2.1
151.00334	0.4
152.01189	3.4
153.01953	100.0
154.02507	4.3
155.03548	2.4
161.04535	1.0
166.02722	0.8
167.03491	12.4
168.04295	55.3
169.05051	9.7
179.03493	0.8
191.03418	0.8
194.02228	0.5
196.03833	0.5
209.04553	0.7
211.06169	1.0
229.19238	0.5
253.62683	0.4
331.10461	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	331.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52679	0.6
55.01888	3.7
57.03459	4.3
57.66620	0.5
58.00596	1.1
59.01386	100.0
60.01729	1.0
65.14150	0.5
69.03477	1.3
70.69445	0.6
70.69786	1.0
71.01392	67.2
72.01713	0.9
72.99325	2.4
73.02957	9.6
83.01393	6.6
85.02963	23.7
87.00912	2.5
89.02456	56.8
93.03465	0.6
95.01387	5.5
97.02986	1.5
98.89163	0.5
99.00896	3.9
101.02459	41.6
107.01441	0.5
107.05065	0.8
109.02940	1.1
111.00879	0.8
113.02468	26.7
116.13630	0.6
119.03522	26.3
123.00927	1.6
124.01717	1.8
125.02467	5.3
129.01993	1.4
131.03539	1.9
135.04521	5.0
137.02519	0.6
138.05598	0.6
139.00330	0.8
140.66449	0.6
143.01430	0.6
143.03499	2.9
145.01421	0.7
147.00906	0.7
147.03268	0.6
148.04118	1.5
149.04608	2.0
151.00410	1.3
159.03059	1.8
161.02510	1.3
161.04579	6.3
166.05144	1.7
168.00665	0.8
169.01399	6.2
172.34424	0.6
175.00436	0.6
179.03552	5.1
179.05696	2.0
187.00519	1.1
201.01855	0.7
202.99969	1.2
211.02574	2.0
214.99930	0.7
217.01486	0.7
230.99411	1.4
258.98950	0.9
259.06195	0.8
271.04517	3.9
285.08093	0.7
286.98480	0.9
287.05771	1.3
297.95154	0.7
315.98758	1.1
330.57364	0.8
330.97470	1.4
331.01083	0.8
331.08151	7.8
331.12872	1.8
331.17703	1.1
331.57825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30246	0.7
59.01385	100.0
60.01717	1.1
69.51865	3.1
71.01386	6.0
73.02949	4.1
80.10460	0.8
85.02961	1.4
89.02477	3.3
94.26702	0.9
101.02470	3.3
113.02469	1.1
125.02493	1.3
169.01485	1.6
183.13931	4.4
195.13902	4.3
206.02315	0.8
211.02495	0.9
213.14967	25.0
214.15442	2.4
215.15543	0.9
230.20461	0.7
271.04791	1.4
275.17136	0.7
278.53809	0.8
331.11591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41101	1.1
59.01385	100.0
59.88794	0.9
62.30423	1.0
65.57736	0.9
69.43810	3.6
71.01385	7.4
73.02938	2.4
79.95755	2.1
83.01382	2.1
85.02949	3.7
87.82320	1.1
89.27547	1.1
90.64944	1.0
95.01375	2.2
96.96020	11.5
101.02438	5.0
112.51262	1.1
113.02451	3.4
125.02439	1.8
144.02121	1.3
161.04582	3.6
169.01413	1.3
172.01701	1.6
200.01152	1.4
216.00610	1.6
230.99188	1.2
243.99951	1.7
271.04462	1.4
271.99503	3.0
286.98407	1.6
299.99142	6.4
331.08096	2.1
331.12201	42.5
332.12820	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84373	28.1
54.40725	29.9
56.60847	30.0
61.98835	83.8
69.88917	100.0
94.44493	35.9
98.22005	47.5
110.98904	42.1
158.52298	31.5
212.65117	34.6
229.74727	34.3
331.06985	37.0
332.25900	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29462	27.0
50.46063	29.3
52.15493	28.1
79.69157	28.9
95.47968	26.5
98.22669	100.0
107.09049	37.5
133.99568	28.0
165.12923	71.6
169.01410	35.8
183.13905	69.6
228.24271	38.2
248.42564	31.6
263.50455	28.0
274.55304	29.5
305.45685	31.6
337.94809	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2493
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
58.00600	0.4
59.01375	0.3
59.63242	0.2
61.98833	0.4
69.35770	1.3
76.80266	0.2
85.02359	0.2
88.48331	0.2
105.97735	0.3
125.09697	1.2
126.82774	0.2
127.11307	6.0
128.11603	0.3
134.02478	0.3
139.11340	0.4
143.10786	1.0
153.09207	0.4
155.10783	2.3
157.12361	4.8
158.12566	0.3
171.10315	2.4
185.11873	0.5
187.13429	1.0
201.11354	1.2
237.36882	0.3
283.22736	0.3
295.22806	1.6
311.22345	0.8
313.23868	7.1
314.24210	0.7
329.23386	5.1
330.23840	0.5
331.24921	100.0
332.25259	9.8
332.29291	0.4
342.92993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42741	19.8
59.01371	40.8
69.21268	100.0
69.23712	19.9
78.28987	19.0
80.27221	20.1
87.00847	28.4
96.96053	33.6
112.08170	20.1
123.00904	25.7
125.02467	47.5
147.04489	73.3
169.01418	32.4
178.29150	21.5
200.24210	20.1
235.93944	19.2
242.71161	18.3
314.97849	70.1
323.07526	21.5
332.10056	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85057	0.7
57.03459	4.9
59.01379	0.9
63.02393	4.2
65.00336	6.6
66.14658	0.6
67.01900	1.4
69.09533	2.9
69.09937	1.3
81.03455	1.1
83.01402	7.0
93.03460	4.1
95.01414	1.8
107.01411	5.9
107.05038	2.2
109.02952	5.1
115.05532	1.2
117.03523	1.2
121.02937	1.2
124.01645	0.8
125.02465	21.3
130.04247	0.7
131.05019	1.5
133.02986	2.5
135.00899	1.0
135.04547	7.4
137.02466	7.2
143.05052	1.8
147.04561	2.1
149.02483	1.2
149.06113	1.5
151.00398	11.5
151.03983	0.9
153.01923	0.8
155.05029	1.3
159.04546	4.5
161.02460	2.0
163.00394	1.9
163.58673	0.6
165.01968	2.6
171.04550	2.0
173.06093	3.0
174.03226	0.6
175.04004	5.1
177.01950	2.9
177.05544	2.2
178.99837	1.9
183.04520	2.6
184.06956	0.6
185.02492	1.0
187.04057	1.8
189.05563	1.1
199.04062	3.8
201.01949	1.6
201.05585	1.6
203.03534	3.5
214.02710	1.0
215.03575	4.2
216.03754	0.6
217.05070	5.0
227.03519	6.1
229.01517	1.2
230.02246	1.1
243.03041	3.5
245.04622	3.1
253.01605	0.8
261.04254	0.8
271.02457	4.1
289.03564	100.0
290.03903	6.2
333.02493	5.0
333.19299	1.0
355.85153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0598
Annotation	GroPIns
Peak:m/z	Relative Intensity
54.71195	0.4
55.33148	0.4
56.59233	0.4
62.96389	0.5
67.50751	0.4
69.21450	2.8
71.58786	0.5
73.63247	0.5
78.95910	97.8
92.76117	0.4
96.96001	1.9
96.96972	17.3
96.97613	0.9
98.21957	0.9
106.89555	0.5
124.31778	0.4
150.98042	1.4
152.99599	72.2
153.99947	0.9
154.90623	0.7
163.51347	0.4
171.00644	7.8
223.00136	1.2
227.18669	0.5
241.01202	35.3
242.01613	0.6
259.02307	1.4
272.85590	0.6
287.21414	0.5
290.82932	0.9
314.86618	1.0
332.83926	1.5
333.05936	100.0
334.06281	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	333.0617
Annotation	Diosalol
Peak:m/z	Relative Intensity
57.03460	2.8
59.01392	7.6
60.75191	0.9
61.79740	1.0
63.02427	1.7
65.00340	7.3
66.81105	0.9
67.01928	1.1
69.03437	2.0
69.49248	3.2
70.45942	0.9
71.01386	7.2
73.02942	1.4
81.03468	2.6
83.01395	8.0
83.34059	1.1
85.02969	2.4
93.03444	5.8
95.01395	2.8
95.05025	2.4
97.02956	10.5
97.06711	1.1
98.22630	2.1
101.02490	2.0
107.01397	3.9
108.02204	1.4
109.02957	22.8
111.00922	2.3
113.02454	1.5
115.00385	3.2
121.02971	15.3
123.00910	4.8
123.04557	15.9
123.05406	1.9
124.04894	1.0
125.02462	13.8
133.02983	1.4
134.03824	1.1
135.00934	6.6
135.04543	55.1
136.04861	2.9
137.02454	12.5
138.03314	1.9
139.04010	3.6
145.02963	2.5
149.02443	14.2
150.03221	1.5
151.00388	12.4
151.04027	14.6
159.04549	3.1
161.02438	3.6
161.06128	2.6
162.03252	1.7
163.00385	60.4
163.04063	2.3
164.01028	3.3
165.01939	28.8
169.01442	1.3
173.06020	1.3
175.04120	1.4
175.07756	1.1
177.01956	13.3
178.67990	1.0
179.03517	16.6
181.01439	15.2
185.06122	2.3
187.04018	3.7
188.04811	2.1
189.01939	1.7
189.99065	2.8
191.00072	1.1
193.01440	2.5
198.99281	1.5
201.05595	3.2
203.07188	3.7
205.01479	4.6
205.05055	8.0
206.05458	1.1
211.04054	2.4
227.07307	1.7
229.05058	16.8
231.02963	7.3
245.08189	2.8
247.06174	8.3
254.08276	1.0
255.03105	1.1
257.04608	3.5
271.06244	5.8
273.04111	4.4
289.07208	17.8
289.11993	3.0
290.07547	1.3
291.18298	1.2
295.11813	4.0
297.04193	1.3
303.38089	1.4
315.05133	100.0
316.05511	9.5
333.06183	75.6
333.19370	2.8
334.06567	7.1
334.09912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0619
Annotation	3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone
Peak:m/z	Relative Intensity
50.92244	0.5
57.03452	17.2
58.94976	0.5
59.01392	2.8
62.94239	0.5
63.02395	1.1
65.00331	3.2
67.01890	0.6
69.40802	1.2
69.41190	1.4
71.01373	0.8
75.16448	0.6
81.03474	0.7
83.01391	5.7
85.02953	0.6
86.92496	0.5
89.02448	0.7
95.01379	0.7
96.02158	0.6
102.43761	0.6
107.01402	3.0
108.02206	1.3
109.02937	1.1
111.00850	0.7
121.02983	0.9
124.01665	4.5
125.02459	100.0
126.02800	2.9
130.71373	0.6
136.01642	0.8
137.02480	3.3
138.03259	4.6
139.03995	0.8
149.02460	0.7
150.03253	1.3
151.00375	9.8
151.03999	0.7
151.11270	1.7
152.01181	6.7
153.01967	7.0
153.05569	0.7
155.10759	1.4
161.02490	0.8
164.01151	4.0
165.01964	2.3
166.02728	3.2
169.01486	0.8
169.12326	0.8
175.03947	1.2
176.01180	0.7
178.99870	10.0
179.03461	2.7
180.00586	1.4
180.04269	0.6
181.01437	2.9
181.05087	2.2
186.03200	0.7
187.04077	1.1
188.46432	0.6
189.01973	0.9
190.02731	4.1
192.00648	4.0
203.03514	1.9
204.04271	1.5
205.05110	3.0
207.02992	10.6
207.04796	0.9
208.03728	3.8
214.02762	2.0
217.05186	0.8
219.06529	0.7
223.06134	1.4
227.03516	0.8
228.04269	0.7
229.05089	2.0
230.05775	0.7
231.03055	1.6
232.03822	4.1
245.04410	0.8
246.05354	1.7
247.06081	4.1
255.03000	0.6
256.03738	3.9
257.04407	1.5
271.06161	1.7
272.03336	0.8
273.04105	1.4
274.04776	2.0
283.02451	1.7
289.07333	2.8
291.14661	0.8
300.02893	1.2
305.06732	8.9
314.97763	1.1
315.05148	32.5
316.05447	2.7
333.06104	8.2
333.19144	1.7
334.06644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86030	7.7
56.65898	7.9
59.01374	36.9
66.31267	8.0
67.08656	8.9
71.01385	12.3
77.75323	8.1
78.06505	8.0
78.95907	56.0
85.02936	14.4
89.02466	18.1
96.96948	12.1
101.02466	16.5
111.00908	9.1
117.00443	22.3
142.96643	20.8
142.98373	46.2
152.99574	31.8
169.01421	12.2
171.01903	13.0
184.97707	9.3
191.05679	53.0
241.01213	18.3
246.97704	18.7
297.11850	100.0
333.05862	43.1
333.09937	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.0
59.01385	49.9
69.76244	2.3
71.01383	6.2
71.34315	0.9
72.99314	1.6
83.05038	2.3
85.02953	5.5
87.00880	15.0
88.97534	0.8
89.02451	2.0
91.04050	1.3
96.96004	0.9
98.21868	1.7
101.02447	2.3
113.02464	1.3
115.00368	2.3
124.01709	1.0
137.09732	11.4
151.11327	2.1
153.09332	1.2
155.10799	100.0
156.11142	4.6
161.04498	1.6
169.12366	2.2
171.10291	29.9
172.05272	2.9
172.10657	1.5
181.08722	6.2
186.06827	4.0
187.07666	21.1
188.07979	1.5
199.07932	1.9
199.09763	25.4
201.09221	10.8
215.12747	1.1
217.10832	39.1
218.11188	2.0
227.10808	1.8
229.08817	1.1
243.10390	1.6
245.11876	1.2
253.08675	1.4
259.11838	0.9
261.00403	1.2
271.09808	2.2
273.07718	3.5
273.13464	21.0
274.13889	1.6
286.98264	1.6
289.10788	1.1
291.14532	88.3
292.14856	5.2
305.95340	0.9
314.97803	4.3
333.09753	22.4
333.15549	30.6
333.19174	3.1
334.09982	2.1
334.15964	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	333.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.3
59.01384	100.0
69.03457	3.7
69.11035	10.8
71.01391	8.2
72.99300	2.1
74.02489	2.0
75.00877	7.5
83.05038	15.0
85.02955	34.9
87.00864	2.1
87.04498	1.9
89.02445	4.3
97.02977	2.4
97.06592	5.3
98.21862	2.6
99.04510	1.9
101.02449	2.6
107.04998	2.3
113.02451	2.6
115.88257	1.5
117.01894	2.2
117.05594	14.8
123.00784	1.7
123.34359	1.5
125.02475	2.2
133.02946	3.4
135.03004	41.1
135.04530	72.6
136.04778	3.6
139.11290	5.4
149.09711	2.0
151.11331	4.2
153.09195	1.7
155.10806	9.8
157.74765	1.5
161.02444	6.4
164.61584	1.5
169.12347	69.4
170.12683	4.6
177.01974	1.8
179.03519	32.7
185.11824	12.7
187.07703	4.4
190.02681	1.9
214.99916	2.3
219.13985	4.2
225.14989	1.9
230.99318	2.2
234.41814	1.5
237.14966	3.4
255.16081	9.2
273.17062	4.1
286.98300	3.5
289.11795	6.1
297.06281	16.9
314.97971	12.0
315.18127	12.0
333.03323	1.6
333.09628	4.4
333.15735	6.2
333.19208	94.9
334.09842	5.8
334.19464	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	334.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60675	0.6
59.01385	74.9
67.01893	3.6
67.23154	0.7
71.01389	7.2
71.39481	1.0
73.02953	3.2
83.01431	1.0
85.02962	3.3
89.02465	1.1
94.02995	100.0
95.03337	2.3
101.02445	5.5
102.43746	0.6
112.04051	2.8
113.02464	4.5
127.73624	0.7
161.04593	10.7
178.87247	0.7
192.95921	2.0
256.08313	2.8
291.83438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26266	2.0
50.41505	2.2
55.79531	1.8
57.03450	14.4
63.02401	7.8
65.00333	20.1
67.01878	5.7
68.99804	3.4
69.63866	7.3
70.77116	1.8
81.03466	16.9
83.01392	36.6
83.05019	4.1
85.02971	9.1
91.01908	4.5
93.03479	9.3
95.01395	10.2
96.99339	2.1
98.21762	2.1
101.04068	1.9
107.01402	20.2
107.05064	3.0
109.02966	92.6
110.03293	2.5
111.00884	2.7
111.04536	3.1
119.01430	2.3
121.02926	2.2
123.00864	2.2
123.04556	20.0
124.01660	2.5
125.02467	55.3
133.03020	5.1
135.00891	8.7
135.04559	9.1
137.02478	27.0
147.00876	3.4
149.02498	3.3
151.00391	73.9
151.04002	5.2
152.01083	5.9
153.01961	100.0
154.02267	3.0
157.06580	2.9
159.04497	6.6
161.02496	5.1
163.00398	16.0
163.04024	2.6
164.01187	3.2
165.01935	33.5
167.03511	37.5
169.01466	4.9
173.06125	4.0
173.25279	2.1
175.04039	16.5
177.01935	11.4
177.05553	3.5
178.99864	25.1
179.03448	3.9
181.01451	50.5
185.05867	1.7
187.04054	3.5
193.01404	1.9
195.02997	19.9
199.04018	3.2
201.05562	6.4
203.03355	4.3
207.02788	2.0
217.05084	4.8
217.08073	2.2
227.03526	8.8
229.05038	2.8
230.02246	3.6
231.02997	6.7
243.03151	3.3
245.04605	10.2
255.02988	8.6
271.02597	4.6
273.04001	17.0
289.03360	2.3
317.03046	58.2
318.03320	5.0
335.04117	57.7
336.04474	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	335.0414
Annotation	Dantrolene sodium anhydrous
Peak:m/z	Relative Intensity
50.23507	0.3
56.02920	0.4
57.49111	0.4
59.01369	0.9
59.68557	0.4
67.78393	0.4
69.44934	0.4
69.54409	1.6
75.00879	0.6
87.00847	0.5
131.01395	1.4
131.05009	0.5
132.02217	1.3
133.03018	0.4
135.03056	2.0
135.04535	3.5
143.01385	1.7
143.07140	1.3
144.02168	1.1
145.02950	0.7
147.00935	0.5
147.04471	0.7
148.01648	0.8
159.00891	2.8
159.04520	1.2
160.01649	2.1
161.02371	2.3
161.99561	0.7
163.00394	0.6
163.04065	1.1
171.00874	4.9
173.02386	0.6
175.00385	0.6
175.04018	1.6
176.01134	1.2
179.03551	2.2
179.04955	0.4
187.00378	5.2
187.04041	1.4
188.01152	5.4
189.01927	2.2
190.02731	0.7
190.99852	1.1
191.03506	1.0
199.00354	1.2
201.01955	1.0
202.02803	0.5
203.03505	2.2
204.00691	0.8
204.04242	0.9
214.99890	7.4
216.00653	10.1
217.01332	2.7
217.10864	0.9
219.02943	2.0
229.01445	1.2
230.02194	1.0
231.03047	1.7
232.00145	1.8
232.03860	0.8
233.00925	3.1
233.04539	0.5
233.98091	3.3
242.47534	0.4
242.99373	12.5
244.00124	6.3
245.00787	1.3
247.02499	3.9
248.03224	1.6
249.00476	0.6
249.03932	0.6
259.02493	0.5
259.99643	9.8
261.00415	5.5
262.00766	0.5
263.05621	0.5
270.98849	13.0
271.99530	3.9
273.00333	0.5
274.82983	0.4
275.02020	17.5
276.02435	2.2
287.99167	0.4
291.05121	0.7
297.06125	1.2
303.01483	14.1
304.02225	2.2
307.04636	3.9
335.04114	100.0
336.04431	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	335.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87789	0.3
57.29315	0.2
59.01377	0.5
65.00347	0.3
68.99823	0.3
69.39860	0.5
69.40253	0.6
71.01394	0.3
82.00609	0.4
83.01397	0.5
86.00098	0.3
96.96027	0.7
98.06050	0.3
98.06773	0.3
106.88461	0.2
111.00890	1.6
118.09160	0.3
124.01678	13.2
127.00399	0.6
136.98824	1.1
137.12656	0.2
139.00420	1.4
140.01196	2.7
151.00349	0.4
168.00664	5.3
183.03006	100.0
184.03333	4.0
317.03235	0.3
335.04050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03438	2.2
58.00599	1.6
59.01383	100.0
60.01727	1.2
62.19598	1.1
69.29963	5.5
71.01386	51.5
72.99311	2.0
73.02950	3.2
77.49517	0.9
83.01400	3.9
85.02960	14.8
87.00884	2.7
89.02451	48.9
95.01385	3.9
99.00899	1.8
101.02447	40.0
111.08189	2.0
113.02458	20.2
119.03511	26.3
124.48176	1.2
131.03494	2.7
135.04570	1.3
138.05605	1.0
143.03484	2.1
149.04535	2.2
154.62411	0.9
155.07182	5.6
161.04578	3.6
166.07312	0.8
173.08223	7.4
179.05630	3.7
192.95868	1.8
197.88002	0.9
247.02438	1.1
335.13489	99.6
336.13846	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	335.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30667	0.6
55.01884	1.7
57.03459	1.7
58.00607	0.8
59.01383	100.0
60.01735	0.9
71.01388	43.8
71.43357	0.7
72.99295	0.8
73.02954	1.7
73.59761	0.7
83.01410	2.1
85.02951	7.7
87.00897	1.0
89.02451	50.4
95.01407	2.4
101.02451	30.5
113.02457	17.7
119.03511	23.3
125.02493	1.5
127.11316	1.3
128.43196	0.7
131.03514	1.7
143.03525	2.1
149.04599	1.6
155.10820	2.7
161.04547	1.6
173.11856	3.1
179.05617	1.4
254.77036	0.9
256.33347	0.7
259.99655	1.2
303.01627	2.8
335.17133	46.4
336.17520	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	336.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15357	0.4
56.90364	0.3
58.02974	7.2
58.08597	0.4
59.01384	2.2
69.03458	0.5
69.49300	0.4
71.01391	0.5
72.43668	0.3
80.84018	0.4
83.05034	0.5
84.76860	0.3
85.02947	1.4
86.06110	3.2
87.00885	3.6
91.76634	0.4
97.02964	0.6
100.07694	11.1
100.55160	0.4
114.05634	0.9
116.05074	0.8
118.61610	0.4
119.05020	0.8
123.04541	0.5
128.07188	26.7
129.07542	0.8
130.99896	0.6
131.03683	0.5
132.02161	0.4
132.06703	4.4
133.01443	0.5
133.02963	10.1
135.04552	4.3
156.06732	1.0
161.02458	33.9
161.06099	1.2
162.02818	1.5
163.04083	0.7
165.86227	0.4
173.06110	0.6
174.07721	100.0
175.08081	3.7
179.03496	1.4
186.06772	0.4
187.07655	0.9
189.05611	0.8
190.06381	0.6
191.05650	4.4
203.07198	0.8
205.01413	0.8
205.08771	0.6
215.07146	2.7
255.37828	0.4
259.06122	1.7
264.06891	0.4
294.98563	0.4
336.10925	1.6
337.05554	0.6
337.09222	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	336.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	7.4
59.01370	1.3
70.27719	1.0
71.01374	0.8
85.02979	1.4
86.06132	3.1
87.00884	0.8
98.22505	1.0
99.00880	0.7
100.07695	9.4
113.02448	0.8
114.05640	0.9
115.73055	0.7
128.07191	26.3
128.08147	1.5
129.01933	0.7
129.07463	0.9
131.03763	1.0
132.04559	1.3
132.06657	3.9
133.02975	9.1
134.03282	0.6
135.04559	3.5
136.62140	0.6
142.41237	0.6
156.06636	1.0
161.02461	29.6
162.02817	1.5
174.07726	100.0
175.08098	4.2
179.03490	1.6
191.05630	1.8
215.07266	0.6
221.62737	0.7
243.97964	0.7
262.72464	0.5
337.09198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91415	1.0
61.32118	0.7
64.83193	0.8
71.45347	1.1
71.82780	0.9
72.92862	0.7
74.03178	0.8
75.46822	0.8
75.81686	0.8
81.03466	1.5
87.04533	1.2
96.00930	5.1
96.96056	1.0
97.01708	3.3
102.45586	0.8
124.07715	2.1
154.08757	100.0
155.09045	3.5
165.12910	0.8
167.59572	0.9
226.96335	0.9
260.20111	2.8
304.19260	2.0
317.26288	0.9
337.23651	1.0
339.49893	0.9
343.92523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26777	5.4
70.27427	13.1
72.23550	5.0
78.95925	11.4
109.86272	5.4
110.19799	6.4
128.89189	8.0
130.88954	16.3
132.88637	6.4
134.96111	18.6
136.94028	68.9
137.94119	8.5
144.86978	8.0
146.86705	20.2
148.86475	8.0
150.94836	9.4
152.91782	26.3
170.88324	10.0
178.95119	100.0
178.97829	19.6
179.95143	7.3
192.95818	44.2
194.92818	47.1
194.95531	66.2
208.93770	7.8
214.90379	7.2
250.95062	8.7
276.84186	5.8
292.94977	12.9
294.85236	58.8
294.93539	24.2
336.87207	7.9
336.94006	86.4
337.07684	26.0
337.94092	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	337.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	58.3
70.28527	16.9
71.01389	23.1
74.75232	8.2
78.95913	23.9
79.24165	8.1
85.02970	12.8
89.02438	17.3
101.02462	8.8
105.78088	9.4
113.02449	14.3
113.06101	10.3
117.71870	8.8
135.04512	22.2
136.94098	8.8
139.04031	33.4
143.66481	8.8
149.02606	7.4
175.09731	11.7
179.03433	9.3
191.00253	56.3
205.03426	9.6
233.01230	57.6
233.03313	11.4
261.02814	10.1
270.81247	8.3
277.00006	100.0
284.79282	8.4
331.88281	8.9
337.07584	24.7
337.15088	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	337.0779
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03439	1.1
59.01381	4.0
68.99809	2.6
71.01377	2.6
71.24761	0.9
71.39227	0.6
72.99295	0.7
73.02935	1.6
75.00877	2.4
78.95907	0.9
79.43304	0.7
83.01376	0.8
85.02500	0.8
85.02961	5.7
87.00873	2.0
88.44241	0.6
89.02441	0.8
96.96996	1.5
97.02953	0.9
99.00878	4.9
101.02448	2.1
110.49450	0.7
111.00912	2.7
113.02457	6.5
113.99600	16.9
115.00410	6.6
127.00382	3.2
129.01938	2.5
131.08287	0.8
133.01492	0.7
139.00375	0.8
140.95985	9.1
141.01923	0.6
149.04535	1.3
157.01422	5.2
169.01421	1.8
174.01715	17.4
175.02432	1.3
175.04195	0.6
195.05055	0.9
238.93553	2.9
257.99762	0.7
277.05658	20.4
337.07770	100.0
338.08075	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	337.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92856	0.2
52.21638	0.2
55.01870	1.1
56.64879	0.2
57.03437	1.2
59.01383	18.2
61.01781	0.3
67.01891	0.3
67.93492	0.2
68.99833	3.1
69.03450	0.8
71.01385	9.0
71.42887	0.3
72.01758	0.3
72.99320	0.9
73.02955	3.7
75.00872	1.4
78.95906	0.4
81.17957	0.2
81.62904	0.3
83.01382	2.8
83.05030	0.4
85.02954	10.2
86.03327	0.4
87.00880	3.5
89.02442	2.7
93.03461	0.4
95.01408	1.6
95.01944	0.2
95.05008	0.5
96.99316	0.5
97.02952	0.8
99.00878	6.5
101.02453	6.6
110.98586	0.3
111.00912	2.1
111.02033	0.3
112.98769	0.7
113.02455	8.0
113.03239	0.4
113.99593	20.0
114.02763	0.4
115.00387	9.0
115.04022	0.8
116.00624	0.4
117.01968	0.4
119.03506	1.0
125.02444	0.6
127.00362	3.4
129.01950	2.8
135.04575	0.6
136.94016	0.5
139.00392	1.2
141.01909	0.8
143.03505	0.6
145.01430	0.8
152.91675	0.2
155.03520	0.3
157.01434	5.0
157.05107	0.6
159.02998	0.4
161.04546	2.4
163.02586	0.5
163.03973	0.4
169.01416	1.7
173.04581	0.4
174.01706	18.3
175.02490	5.3
175.06137	1.5
178.95036	0.5
179.05672	0.5
191.01978	0.5
193.01393	0.3
205.03572	1.3
205.05148	0.3
219.01755	0.3
232.02531	0.3
233.01041	0.4
233.03084	0.7
277.02197	1.6
277.05652	20.8
277.09146	2.0
278.03134	0.4
278.06036	1.1
337.07773	100.0
337.11163	3.9
338.08133	7.0
338.11734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05527	0.3
51.22830	0.3
57.03438	0.5
59.01395	1.3
60.99298	0.3
67.01877	0.9
69.03442	0.3
69.12888	1.7
71.01380	0.8
73.02945	0.4
83.05046	0.5
85.02956	7.2
87.00870	2.1
93.03465	6.7
102.96648	0.2
109.02962	0.9
111.04523	1.5
116.53697	0.3
119.05039	3.0
125.02457	0.5
127.04023	1.6
129.01965	0.8
145.02951	1.8
153.01901	0.3
155.03458	0.5
163.04021	3.2
168.00964	0.2
169.01459	0.4
171.02988	0.4
173.04585	3.3
191.05629	100.0
192.06009	3.3
231.06511	0.3
337.05713	0.3
337.09509	2.0
338.06381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.46973	0.2
55.74438	0.3
57.03445	1.0
57.38200	0.3
59.01387	12.7
60.99311	1.2
67.01897	3.8
69.03457	1.3
71.01396	1.8
77.42339	0.3
81.03473	1.1
83.01392	0.3
83.05025	0.7
85.02961	7.0
87.00885	6.2
93.03469	20.9
94.03806	0.6
99.00903	0.5
99.04584	0.3
101.02403	0.4
109.02971	0.3
111.00894	0.4
111.04533	3.4
113.02448	0.9
117.03500	0.4
119.05041	8.6
120.05372	0.4
123.01006	0.3
125.02463	0.7
127.04002	1.6
129.01942	1.1
137.02469	0.4
145.02966	1.7
155.03497	0.6
159.02568	0.3
163.04036	8.9
164.04349	0.5
171.02957	0.4
173.04562	8.9
191.05630	100.0
192.05965	3.9
204.77850	0.3
206.00571	0.3
231.79195	0.3
243.98354	0.3
259.99643	0.6
298.71405	0.3
337.09320	2.6
337.18799	0.5
338.09546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32001	0.6
59.01384	100.0
60.01736	0.7
61.98832	8.1
68.29010	0.9
68.62582	0.7
69.72548	2.0
71.01383	9.6
78.95930	1.1
79.52354	0.6
82.35963	0.7
85.02973	2.2
89.02451	14.7
90.02711	0.6
101.02443	4.2
113.02454	5.3
118.30799	0.6
119.03521	6.6
140.72420	0.6
143.03539	1.0
161.04652	1.3
163.02589	0.8
179.05563	3.5
189.04117	0.7
198.10999	0.6
205.03641	2.0
233.03117	1.6
277.02277	2.4
294.93848	1.6
329.57547	0.7
336.94916	1.1
337.07935	2.0
338.07538	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59772	1.4
58.77814	1.3
59.01382	100.0
71.01377	1.7
73.77431	1.3
87.16199	1.2
88.36501	1.1
101.02431	1.4
112.57904	1.6
132.66235	1.4
136.76521	1.0
167.88176	1.3
183.61569	1.1
191.05666	1.5
329.22018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2386
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
57.41250	0.7
61.19651	0.8
69.83125	1.0
69.83447	1.8
85.06608	1.5
88.43742	0.7
153.09262	0.9
171.10274	13.2
181.40678	0.9
251.16516	13.6
252.16957	0.9
286.73065	0.8
319.22852	5.6
329.91797	0.9
337.23865	100.0
338.24228	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	338.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87989	0.2
58.02979	2.2
69.35244	1.1
69.35623	0.4
79.32332	0.2
82.83716	0.2
83.79163	0.2
90.86311	0.2
95.05030	0.3
97.06594	0.8
128.10825	10.5
129.11194	0.5
130.08749	100.0
131.08406	0.2
131.09111	2.9
147.08183	0.6
157.12419	0.2
172.09828	2.8
175.62088	0.2
269.20239	0.2
279.24930	0.3
320.18713	0.3
338.19757	40.5
339.20056	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	338.9815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06791	1.6
54.42099	1.4
59.01380	5.0
69.11720	11.5
84.93871	3.6
85.02950	2.4
92.90196	1.5
96.04560	1.5
97.02998	1.9
99.92594	30.4
100.93372	42.0
106.04279	1.6
107.05006	4.7
112.04059	9.9
114.94991	2.0
115.92088	70.3
116.89993	2.1
116.92159	5.4
116.92870	100.0
117.92888	3.7
119.05029	3.6
121.03010	3.9
123.04572	1.9
125.02428	5.7
127.28939	2.0
130.04253	1.6
131.05026	1.6
134.03781	2.0
142.94327	2.0
145.01425	4.5
145.02948	1.8
146.03725	4.0
147.04530	5.4
148.05322	22.0
149.02501	2.2
149.06056	5.3
158.93872	3.4
169.01447	3.7
170.93924	10.6
177.01950	4.4
179.03419	1.6
181.01463	2.2
183.56158	1.6
190.98059	6.7
208.99089	1.8
214.98068	2.1
222.97034	6.3
232.99109	59.9
233.99281	5.6
234.01491	2.2
234.93309	1.7
235.01591	1.9
239.05435	2.9
246.97112	2.3
251.00134	1.9
264.98105	40.9
265.98251	4.0
276.97998	9.2
279.00751	6.9
279.97717	1.8
300.90131	1.8
339.07285	5.0
339.15375	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	339.051
Annotation	LMPK12113393
Peak:m/z	Relative Intensity
50.65776	0.4
57.07404	0.4
61.15071	0.5
69.17303	3.1
74.20079	0.4
82.95614	0.4
125.46936	0.4
168.11063	0.4
171.10280	0.5
178.04448	0.6
198.03169	1.2
226.02765	1.8
242.02211	0.7
247.13356	1.1
254.02228	0.7
258.01785	1.3
270.01712	10.9
271.02081	0.7
281.00919	0.8
282.01697	55.0
283.02029	5.3
286.01208	2.7
314.00806	0.9
321.20905	0.7
339.05087	100.0
340.05414	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	339.0723
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.34166	0.2
58.77242	0.2
59.01374	0.4
70.77077	0.3
70.77423	0.3
81.03445	0.7
82.58157	0.2
89.03976	1.8
99.00880	0.9
101.02460	0.2
104.02682	0.7
105.02805	0.3
105.03469	3.1
106.61341	0.2
112.04040	0.4
117.01957	0.5
121.02979	0.2
133.02975	7.0
134.03661	0.3
139.06279	0.2
145.01425	2.4
148.01672	0.5
148.83604	0.2
149.02441	1.0
174.00381	0.2
176.01257	1.5
176.02623	0.3
177.01939	100.0
178.02295	4.3
193.05096	0.3
222.50536	0.2
339.07236	9.3
340.07574	1.0
347.62787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0723
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
53.64171	0.4
57.01520	0.4
59.01370	1.6
65.00326	1.5
65.03960	1.2
67.01894	0.7
68.99821	0.5
69.20882	1.8
80.02698	0.5
91.01903	52.4
92.02243	1.7
108.02185	1.4
109.02962	15.4
121.02957	1.1
123.04513	0.7
130.08786	0.6
133.02965	1.7
135.00899	100.0
136.01163	2.9
137.02443	3.0
144.37277	0.4
149.02458	1.4
153.01956	65.5
154.02350	2.7
161.02452	1.7
169.01521	0.5
177.01950	1.3
189.01945	1.6
279.05258	0.6
292.29434	0.4
297.06119	0.9
308.81250	0.5
338.62057	1.2
339.07254	26.9
340.07559	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	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64434	0.6
55.01873	2.7
57.03449	3.1
59.01367	1.4
70.95327	0.9
71.01363	1.8
72.99307	3.6
83.01389	2.3
89.03909	0.7
99.00888	38.2
100.01215	1.0
101.02454	6.1
117.01959	12.9
117.03453	2.3
130.83719	0.7
134.03752	23.0
145.01443	100.0
146.01764	2.9
149.06094	1.6
149.24200	0.7
162.45990	0.6
163.02545	3.8
165.42253	0.7
176.01215	1.1
177.01949	13.3
193.05074	13.6
194.05336	0.9
339.07269	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	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03448	2.3
65.19103	0.8
69.18121	2.6
69.18530	2.3
71.01393	1.3
71.02657	0.7
72.99307	1.2
81.47427	0.8
83.01419	1.2
94.43628	0.7
96.93749	0.8
99.00890	31.7
101.02450	6.4
117.01952	12.6
117.03461	1.5
118.02290	0.8
124.01691	0.9
134.03761	26.0
135.04106	1.2
140.27515	0.8
145.01445	99.8
146.01773	2.8
163.02502	100.0
164.02850	2.8
193.05081	13.4
224.85498	0.9
300.09930	0.9
300.93448	0.8
305.86591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88235	0.8
51.88245	0.7
55.01887	2.6
57.03452	2.5
69.31792	4.3
71.01383	1.8
72.99324	2.0
73.02931	0.9
73.11348	0.8
83.01404	2.3
84.81896	0.7
99.00889	28.9
101.02440	6.4
117.01958	11.7
117.03442	1.4
117.70415	0.7
130.78503	0.7
134.03746	23.8
145.01443	100.0
146.01796	2.9
148.54099	0.8
149.06131	1.4
163.02495	70.3
164.02875	1.5
169.01434	1.4
185.03386	0.9
193.05051	11.0
223.52859	0.9
250.09834	0.8
315.06323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0877
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
50.84879	7.9
50.96745	7.6
57.73147	8.6
59.35631	8.8
61.98830	27.3
74.01737	7.7
77.23644	7.5
85.91236	8.2
88.42173	7.3
91.47423	7.3
95.51344	8.0
121.02954	65.8
136.02809	9.4
147.04523	97.1
167.38112	9.5
193.10196	51.1
207.11827	18.8
218.86673	9.6
223.07672	10.5
251.07108	14.7
251.10829	18.5
254.85622	19.2
295.09708	75.1
339.08743	100.0
340.09225	11.3
352.56866	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.18075	0.2
69.67905	1.1
85.28265	0.3
92.47473	0.3
111.02000	0.3
111.67692	0.3
134.35248	0.3
163.11298	100.0
164.11610	4.4
169.52174	0.3
209.69325	0.3
339.23300	45.7
340.23636	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	339.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33220	1.7
59.01386	100.0
61.98825	8.2
69.31967	8.5
92.92831	1.9
98.22624	3.6
119.94669	1.7
279.23410	7.7
297.24371	42.2
298.24725	3.9
312.05408	1.6
339.20020	4.7
339.25430	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	341.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.8
59.01383	2.1
63.02411	8.6
65.00330	13.1
71.42387	1.3
81.03462	1.2
81.27415	0.8
83.01398	16.7
89.02438	2.2
93.03488	1.9
95.01354	0.8
96.96014	2.0
101.02473	0.8
107.01402	24.9
108.02235	1.2
109.02969	6.4
111.00888	1.1
113.02460	0.9
113.56926	0.7
119.01331	0.8
121.02939	1.0
123.00920	2.7
123.04559	1.1
124.01687	3.0
125.02463	24.1
128.99583	2.7
136.04445	0.8
137.02473	6.9
138.03247	26.8
139.04034	19.1
147.00652	4.1
151.00395	100.0
152.01039	4.3
153.01961	53.0
154.02316	1.2
156.64670	0.9
161.02495	1.2
162.03165	1.2
164.01193	1.1
165.01970	5.3
166.02707	1.9
167.03514	3.4
169.01476	4.4
170.02182	1.3
175.00290	1.1
176.01164	4.1
177.02017	5.6
178.99886	85.3
179.07098	3.8
180.00270	3.6
181.01448	28.8
181.03059	1.4
182.01808	1.0
189.01949	1.7
190.99634	1.3
191.03458	0.9
193.01459	1.9
195.03047	1.2
200.98091	25.6
205.05045	1.2
208.03806	1.3
213.01927	1.4
214.02821	1.6
214.99673	1.0
227.03456	2.2
229.01285	1.6
231.02815	1.8
255.02946	3.2
256.03915	1.1
257.00726	0.8
273.04163	2.2
282.40244	0.9
288.03308	0.8
295.02109	1.3
297.03769	2.6
305.00876	0.9
313.03342	8.9
323.01740	13.3
323.05435	1.5
341.02829	54.2
342.03116	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06566	1.3
59.01386	100.0
67.21458	1.3
70.11609	2.8
71.01385	29.1
72.00946	2.7
73.02958	4.5
78.95915	33.8
82.03008	3.7
82.66076	1.3
83.01363	1.3
85.02961	7.8
87.00874	1.8
89.02458	26.3
90.02864	1.6
95.01404	4.1
96.00974	1.9
96.03963	1.3
96.04585	3.9
96.96027	20.4
96.96969	46.2
97.02960	1.2
98.06137	4.2
99.00918	2.0
101.02463	19.1
107.05011	1.1
113.02456	9.9
116.72570	1.2
119.03508	9.4
119.07193	1.9
123.00938	6.9
127.05144	4.7
128.03557	19.8
131.03502	1.3
141.98257	2.0
143.03505	3.2
145.06223	7.8
146.18814	1.2
161.04578	11.5
166.99899	6.0
179.05672	8.9
183.99286	15.5
198.97980	3.3
217.03032	2.3
221.15881	1.2
222.18684	1.5
226.00357	18.4
227.00685	2.1
242.03532	3.8
243.09871	31.7
244.01273	2.0
246.49149	1.3
259.04062	2.3
262.04092	1.8
263.03555	5.9
279.06732	2.9
280.05045	1.5
281.12457	25.8
305.04462	6.1
323.05670	8.1
341.07016	1.3
341.10754	6.4
355.79391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
67.89506	0.2
70.12165	0.7
71.01394	0.6
73.02962	0.3
73.14021	0.2
75.66574	0.2
83.01343	0.3
86.79644	0.3
89.02445	0.5
93.03486	0.6
98.21978	0.3
99.00886	0.3
101.02451	0.4
107.05044	3.3
118.98082	0.7
134.03784	2.4
135.04543	100.0
136.04863	4.2
145.01414	0.5
151.04008	1.6
179.03520	9.2
180.03850	0.5
199.35854	0.3
231.18774	0.3
288.71213	0.3
341.08749	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	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.74609	0.3
56.59701	0.2
59.01380	0.6
63.48687	0.2
69.75188	0.7
71.01397	0.4
78.07808	0.3
83.02441	0.2
83.76521	0.3
98.21949	0.4
107.05020	1.3
134.03769	2.8
135.04541	100.0
136.04866	4.2
143.25284	0.2
154.40567	0.3
179.03549	1.5
341.08820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.16552	0.2
59.01378	1.2
67.31638	0.2
70.12368	0.5
71.01387	0.7
79.05526	0.2
89.02461	0.5
93.03451	0.3
101.02441	0.4
102.04993	0.2
107.05050	2.7
113.02499	0.3
133.02942	0.3
134.03795	1.9
135.04543	100.0
136.04855	3.8
151.04050	1.2
153.05603	0.4
179.03529	7.6
179.05118	0.4
180.03897	0.4
210.65178	0.2
341.08780	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	341.0879
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.99809	0.4
58.00628	0.4
58.37103	0.4
59.01386	10.7
68.99823	0.5
69.03467	0.4
71.01385	5.4
71.05019	1.4
72.97541	0.5
72.99309	2.2
73.02950	3.1
75.00876	38.5
81.03464	2.6
85.02960	1.4
87.00872	3.9
89.02435	2.5
89.31851	0.3
96.59343	0.3
96.96010	2.1
99.00888	8.9
99.04556	1.9
101.02432	2.2
107.05076	0.7
109.02896	0.5
113.02445	1.2
115.00403	0.4
117.03481	0.4
119.03500	0.8
125.02438	0.7
133.02965	1.3
134.03732	1.5
135.04539	15.6
136.65485	0.4
143.03503	9.7
148.93275	0.3
161.02493	2.1
161.04576	4.1
177.97083	0.3
179.03603	5.6
179.05620	100.0
180.03818	0.4
180.04549	0.4
180.05988	3.3
214.15981	0.3
296.29279	0.4
297.07730	0.4
299.11169	0.4
340.99344	0.5
341.08832	3.5
341.12158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.3
67.26620	0.3
69.65752	0.6
69.66138	0.8
71.01395	1.0
89.02453	0.7
93.03474	0.6
107.05036	0.9
113.02454	0.4
116.92880	0.4
118.98092	1.2
125.02517	0.4
133.02969	0.6
134.03745	3.6
135.04538	98.3
136.04851	4.1
137.02435	0.4
146.03705	0.5
161.02484	0.5
161.04643	0.4
164.04857	0.4
178.02728	0.8
179.03511	100.0
180.03859	4.8
276.51056	0.4
279.10358	0.5
280.99576	0.4
290.17291	0.3
341.08759	11.8
342.09039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Trehalose
Peak:m/z	Relative Intensity
59.01384	100.0
59.64210	1.1
67.00682	0.9
68.13347	0.9
71.01385	61.6
71.03453	1.8
72.99313	1.2
73.02959	2.2
83.01389	1.8
85.02967	7.9
87.00867	2.6
87.24309	1.0
89.02451	72.3
90.02828	1.4
95.01404	2.3
98.22009	1.1
101.02453	25.9
110.08231	1.0
113.02452	21.1
119.03512	23.2
131.03491	3.6
135.04543	9.2
140.43504	1.1
143.03525	6.3
149.04546	2.5
151.60524	1.0
161.04562	8.7
179.03322	1.1
179.05634	25.3
182.53754	1.1
243.36848	1.0
341.10904	29.9
342.11038	1.9
359.06323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01873	1.0
57.03418	0.8
58.00600	1.3
59.01383	100.0
60.01728	1.0
68.14443	0.9
69.31267	1.5
69.31656	2.2
71.01388	59.5
72.04731	0.7
72.99310	1.2
73.02951	2.1
81.28693	0.8
83.01396	1.8
85.02946	6.9
87.00890	3.2
89.02451	76.7
94.11691	0.7
95.01400	2.7
99.00922	0.9
101.02451	28.7
113.02467	20.3
119.03513	27.3
125.02460	1.3
129.13745	0.8
129.34485	0.8
131.03497	4.0
135.04543	11.3
143.03528	7.8
144.43387	0.8
149.04556	2.5
161.04578	9.9
179.05627	30.7
281.12228	0.9
341.10916	29.3
342.11182	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	341.109
Annotation	Trehalose
Peak:m/z	Relative Intensity
52.18430	0.2
52.57143	0.2
55.01876	0.9
56.05788	0.2
57.03454	1.4
58.00595	1.4
59.01384	100.0
60.01717	1.0
62.36392	0.2
69.03455	0.4
69.14921	0.5
69.15340	0.6
71.01388	60.5
72.01730	1.1
72.99310	1.2
73.02949	2.0
73.17023	0.2
83.01401	1.7
85.02956	9.0
87.00888	3.4
89.02453	74.4
90.02772	1.1
92.92755	0.2
95.01395	3.6
97.02960	0.7
98.21883	0.4
99.00893	0.7
101.02453	30.4
102.02784	0.8
107.03558	0.5
107.54359	0.2
113.02461	23.5
114.02824	0.6
117.00443	0.4
119.03516	26.3
120.03838	0.3
125.02451	0.7
129.02013	0.2
131.03522	3.6
142.64709	0.2
143.03510	6.8
144.03867	0.3
144.39899	0.2
149.04573	2.7
161.04570	9.6
162.04939	0.2
165.82370	0.2
168.91374	0.2
179.05626	26.4
180.06006	0.8
192.95830	0.2
214.98158	1.4
240.96129	1.1
266.93927	0.5
267.07196	0.7
341.10910	28.5
342.11267	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1244
Annotation	Coniferin
Peak:m/z	Relative Intensity
50.67245	0.7
55.01889	1.0
59.01385	100.0
69.03462	1.8
69.66796	1.3
69.67188	2.3
71.01389	28.9
72.94459	0.7
73.02953	91.3
74.03281	1.6
76.15041	0.7
76.89246	0.7
83.01397	18.5
85.02952	3.8
87.00893	2.2
89.02460	9.3
96.96021	3.4
97.02954	0.8
99.00890	0.8
101.02451	52.2
102.02747	0.8
107.05058	1.3
109.02970	5.3
113.02454	11.9
118.98051	0.9
119.03566	4.2
119.05032	19.6
120.05381	0.7
124.01711	0.9
125.02474	2.8
131.03511	2.5
133.02931	0.9
135.04536	9.1
137.06091	3.2
143.03493	2.9
143.05064	1.7
145.02898	1.5
149.04572	2.0
155.03487	1.7
161.02483	4.0
161.04582	6.5
161.06111	2.3
175.03914	0.9
179.03491	5.0
179.05666	1.2
203.05685	1.0
209.04607	0.7
212.29866	0.9
221.04686	0.8
251.05667	1.0
255.06668	2.6
281.04315	1.6
281.06857	1.9
295.80920	0.9
297.07697	1.9
299.11163	1.4
307.45987	0.8
341.12451	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
69.14834	2.3
70.67706	0.4
91.05550	0.8
98.22637	0.7
105.28764	0.4
113.78992	0.5
121.02978	0.6
136.88516	0.4
145.02951	3.0
146.03703	0.4
155.08829	0.4
172.01819	0.4
180.05876	0.7
194.07358	0.9
196.05371	1.5
196.09116	0.5
207.08167	0.5
208.05238	0.5
209.06104	0.7
210.06822	0.9
221.05986	0.7
222.06825	0.6
223.04204	0.4
223.07632	0.7
223.66890	0.4
224.04805	5.9
224.08313	0.8
225.09235	1.3
227.10823	2.3
235.07591	0.9
237.05602	0.9
238.06366	9.7
239.06909	1.2
239.10703	2.3
241.08736	4.0
249.52055	0.4
250.06456	0.7
251.07172	1.1
252.04327	1.2
252.07933	0.8
253.08702	1.4
254.09366	2.2
255.10258	9.9
256.10669	0.5
264.08066	0.6
265.04999	0.9
265.08826	1.2
266.05872	5.6
266.08887	0.8
267.10254	1.5
269.11896	4.2
270.12628	2.9
279.06631	0.5
281.08218	0.8
282.09052	2.0
283.09769	49.3
284.10123	4.1
293.08270	1.3
294.09134	2.4
295.09723	5.6
296.10434	3.2
297.11359	2.2
298.12082	4.9
309.11411	2.2
310.08517	1.6
310.12137	2.6
311.09274	100.0
312.09610	9.1
325.10825	5.4
326.11609	73.9
327.11960	8.6
341.13940	74.3
342.14313	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	341.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20023	0.3
62.24901	0.3
65.04887	0.3
69.15267	0.7
69.15681	1.3
91.05531	0.8
97.98663	0.3
135.04507	0.4
137.04793	0.3
145.02960	3.8
165.05528	0.3
180.05777	0.4
181.08754	0.6
193.06589	0.5
194.07317	0.7
196.05342	1.2
196.08894	0.3
196.64169	0.3
197.09688	0.3
207.08122	0.5
209.06059	0.6
209.09654	0.6
210.06927	0.9
211.07585	0.5
211.38530	0.4
221.06075	0.4
222.06906	1.7
222.71077	0.3
223.07533	0.9
224.04813	5.8
224.08293	0.8
225.09175	1.5
226.06409	0.3
227.10788	2.3
229.08778	0.4
235.07726	0.6
236.08472	0.8
237.05634	1.3
238.06357	10.9
238.09950	0.5
239.06844	1.3
239.10818	3.1
241.08728	3.3
250.06435	0.6
251.07066	1.6
252.04292	1.0
252.07851	1.1
253.08652	1.2
254.09451	2.8
255.10246	10.3
256.10638	0.8
263.07260	0.6
264.07901	0.4
265.05081	0.5
265.08649	0.8
266.05841	6.2
266.09286	0.7
267.06317	0.9
267.10202	2.0
268.10703	0.4
269.11819	4.1
270.05396	0.7
270.12518	3.5
280.07452	0.6
281.08093	0.8
282.08966	2.3
283.09769	53.1
284.10110	4.3
293.08038	0.6
294.08987	2.0
295.09750	5.1
296.10428	3.8
297.11331	2.0
298.12064	5.5
299.12442	0.5
309.11359	2.6
310.08502	1.5
310.12119	3.1
311.09274	100.0
312.09610	9.7
312.13251	0.5
320.86475	0.4
325.10806	5.5
326.11603	83.0
327.11957	8.5
341.13937	84.7
342.14282	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56638	0.4
55.94864	0.5
59.01414	0.6
59.10117	0.5
69.16100	1.2
69.16502	2.6
91.05588	1.3
109.03032	1.6
121.03023	1.8
122.03809	1.3
125.02506	1.2
133.02997	0.6
135.04747	0.8
136.01691	1.0
137.02448	0.9
145.02995	3.7
151.04114	0.8
160.05334	2.5
161.06123	0.7
163.04050	0.6
171.04448	0.8
172.05315	0.8
173.06102	0.8
175.07761	1.0
189.05659	2.4
190.06415	2.0
194.07468	0.6
196.05339	1.3
197.09703	0.6
205.08768	2.1
209.06195	0.6
210.06827	1.0
222.06937	1.6
223.07722	0.6
224.04768	5.0
224.08386	0.8
225.09253	1.1
227.10805	1.6
235.07764	0.7
237.05597	0.7
238.06363	10.1
239.06923	0.9
239.10835	2.6
241.08662	3.6
250.06458	0.8
251.07225	1.4
252.04494	1.5
252.07831	1.4
253.08748	1.0
254.09451	3.2
255.10289	10.4
256.10739	0.8
263.07150	0.7
265.05005	1.2
265.08813	1.2
266.05795	6.3
267.06219	1.1
267.10315	1.9
269.11862	4.3
270.05444	0.6
270.12619	3.4
273.49631	0.6
281.08334	1.7
282.09070	2.1
283.09769	47.7
284.10123	4.1
293.08328	0.9
294.09198	2.0
295.09708	4.9
296.10449	4.8
297.11252	2.3
298.12131	4.0
309.11304	1.8
310.08774	1.1
310.12094	3.5
311.09283	100.0
312.09641	8.9
325.10818	6.7
326.11600	75.9
327.11911	6.3
341.13934	76.9
342.10809	1.5
342.14343	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	341.1396
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
51.65141	0.5
52.73345	0.6
59.01389	1.9
65.27033	0.6
69.22623	3.3
71.01395	1.4
85.51124	0.5
89.02470	1.5
91.05560	1.0
99.60020	0.5
101.02431	1.0
119.03506	0.6
123.32173	0.5
135.04561	0.9
145.02965	3.5
180.73853	0.5
196.05275	1.3
199.07639	0.6
210.06895	1.0
211.07516	0.7
218.93939	0.5
222.06844	1.4
223.07669	0.7
223.13437	2.5
224.04829	5.5
224.08432	1.1
225.05225	0.6
225.09195	1.2
227.10847	2.2
235.07889	0.8
236.08447	0.9
237.09271	0.7
238.06372	8.3
239.06888	1.2
239.10773	2.7
240.11481	0.7
241.08733	3.5
251.07233	1.7
252.04398	0.8
252.07864	1.3
253.08749	2.3
254.09547	1.8
255.10301	8.8
263.07172	0.6
265.08798	1.0
266.05832	6.1
266.08926	0.6
266.09796	0.7
267.06323	1.1
267.10287	2.0
269.09067	0.8
269.11816	4.3
270.12646	3.5
281.08105	0.7
282.08990	1.6
283.09778	49.8
284.10159	4.6
293.08130	0.8
294.08981	2.3
295.09772	5.5
296.10413	4.0
297.07968	1.0
297.11328	2.3
298.12088	4.1
309.08118	0.7
309.11337	3.3
310.08484	2.2
310.12192	2.6
311.09280	100.0
312.09641	8.7
325.10849	7.6
326.11618	78.5
327.11948	9.0
341.06757	4.5
341.13953	78.8
342.07336	0.7
342.14322	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	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91277	0.4
55.19018	0.4
57.03440	0.7
59.01369	1.7
67.16587	0.5
69.03455	2.1
71.04916	1.0
77.66949	0.4
78.34033	0.5
83.05048	1.4
84.02181	4.2
86.73982	0.5
97.02969	1.2
97.06599	13.1
99.04527	1.4
101.53410	0.5
119.08614	0.8
122.26848	0.5
124.26373	0.5
125.09726	2.3
126.36856	0.4
137.09740	1.5
151.11266	0.8
163.11328	0.6
165.12825	0.9
171.10283	12.2
172.10690	0.6
175.11317	1.4
183.13998	1.1
185.11835	0.6
193.12347	16.8
194.12642	1.1
211.13414	3.2
212.18559	0.5
221.11761	1.0
225.14977	24.7
226.15231	1.6
243.16005	10.6
244.16261	0.7
253.14479	0.9
275.26181	0.5
291.19675	1.6
305.21243	0.7
311.09000	1.0
323.22150	0.9
326.11679	0.9
341.23340	100.0
342.23648	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	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
64.81577	1.1
69.03477	2.0
84.02186	3.2
84.91106	1.2
89.02464	1.5
96.27184	1.4
97.06624	10.5
98.22606	4.3
103.26814	1.3
125.09726	2.0
137.09682	1.8
171.10336	6.9
183.13937	2.1
193.12398	11.2
199.98750	2.3
211.13457	7.3
213.91356	1.2
225.14978	21.4
226.15387	1.3
241.32657	1.2
243.15973	9.8
253.14522	1.4
255.85962	1.6
305.21085	1.5
326.11786	1.6
341.23340	100.0
342.23776	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	342.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53498	8.1
69.75430	17.7
69.75817	13.6
71.34090	6.9
166.79828	8.3
177.11346	8.1
267.93970	8.9
288.07983	8.5
299.20050	8.2
324.90521	8.2
342.20532	100.0
343.20871	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	89.4
60.01722	0.8
62.47087	0.1
69.66814	0.2
69.67160	0.5
86.75336	0.1
93.61430	0.1
96.68251	0.1
113.04615	0.3
115.02467	0.3
117.10825	0.1
156.90828	0.3
157.03578	6.5
158.03748	0.5
159.01521	2.6
185.01207	0.2
198.91928	0.2
199.98845	0.2
201.02570	100.0
202.02727	8.7
204.78749	0.1
207.20326	0.2
218.24747	0.1
343.03647	2.0
344.03723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0461
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
50.65536	0.3
59.01355	1.3
60.66438	0.3
68.17448	0.4
69.48427	1.5
71.01334	0.5
71.05011	0.5
74.83988	0.3
80.28461	0.3
83.05000	0.4
84.02139	0.3
109.02966	0.4
120.99656	0.5
130.00548	0.4
135.09846	0.3
171.10263	2.6
182.04521	0.4
185.99617	1.2
190.02634	0.4
197.99532	1.7
201.11298	0.9
211.41951	0.3
213.02017	0.3
213.99014	2.8
226.99927	0.6
229.01456	0.6
241.98586	3.2
243.02867	0.4
246.01857	0.4
254.99359	2.3
257.00916	3.0
269.01013	0.8
269.98071	40.3
270.98425	2.5
271.02563	0.6
282.98849	0.5
283.99518	1.0
285.00421	17.0
285.10419	0.4
286.00763	1.1
297.00537	0.5
297.97562	67.6
298.97928	5.3
299.01474	0.6
311.99170	0.5
312.09668	0.4
312.99921	100.0
314.00229	8.0
327.01318	1.1
328.02261	96.9
329.02609	9.0
343.04596	51.2
343.07745	2.0
343.21277	5.5
344.04959	5.4
344.08948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.5
63.75690	0.4
69.23872	2.5
121.58622	0.4
122.28880	0.5
157.99939	0.6
185.99548	1.1
191.05617	0.8
197.99571	1.9
213.99028	2.3
229.01434	0.7
241.98601	3.0
254.99336	2.3
256.00037	0.4
257.00906	2.4
269.00818	0.7
269.98065	42.1
270.98401	3.2
283.99524	1.0
285.00430	18.1
286.00726	1.0
297.00391	0.9
297.97562	70.7
298.97931	5.2
299.01385	0.7
311.99066	0.7
312.99927	100.0
314.00235	8.6
327.01566	0.7
328.02267	94.7
329.02640	8.5
343.04608	47.8
343.21176	0.8
344.04922	4.9
347.61920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33244	0.8
57.03449	1.6
59.01395	10.2
66.80235	0.9
67.01907	1.5
69.03445	1.3
69.32635	1.1
70.04798	2.8
71.01401	4.5
71.46233	0.9
72.99305	1.4
78.98605	1.5
81.03468	1.2
83.01374	1.3
83.05032	1.4
85.02959	11.6
87.00845	2.2
89.02446	2.7
90.02802	0.9
91.02853	1.4
93.03473	8.5
99.00896	13.6
99.04547	1.0
101.02451	4.5
107.01408	7.6
109.02958	1.8
111.04508	3.2
113.02464	1.1
117.01939	6.1
119.05061	2.4
120.90144	1.0
121.02955	1.4
123.00881	3.4
124.01712	1.0
125.02463	27.9
127.04021	2.6
135.04541	35.8
136.04865	1.6
137.02490	1.2
139.04001	2.2
145.01450	51.1
146.01711	1.2
153.05542	1.5
155.03488	1.8
163.02519	25.3
169.01440	63.7
170.01801	1.7
171.03003	0.9
173.04578	14.0
179.03568	0.9
191.05637	100.0
192.05981	4.4
197.04501	2.4
218.50908	0.9
294.49359	1.1
325.05533	1.3
343.06778	16.4
343.11279	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	343.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
69.03437	0.3
70.94585	0.3
71.01374	0.7
73.02956	0.4
83.05012	0.4
85.02954	9.2
86.03274	0.2
87.00883	1.8
93.03464	3.0
99.04543	0.3
107.01398	0.3
109.02947	0.8
111.04552	0.9
125.02484	1.3
127.04034	2.2
144.14952	0.2
169.01459	2.5
171.02992	0.5
173.04489	1.1
191.05630	100.0
192.05984	3.2
201.02570	2.8
202.02718	0.3
343.06775	3.4
344.07034	0.3
357.26431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73992	0.4
55.93372	0.4
57.03445	0.4
57.52222	0.4
59.01388	5.3
63.58157	0.4
67.01887	1.8
67.99059	0.4
69.03455	1.8
70.78448	0.5
71.01380	1.8
72.99335	0.5
81.03456	1.4
83.05012	0.6
85.02969	4.8
87.00883	1.7
89.02438	0.7
93.03465	12.1
95.01389	0.5
97.02950	0.9
99.00861	0.9
99.04517	0.9
101.02499	0.6
107.01402	8.1
109.02940	0.8
111.00892	0.7
111.04532	3.4
120.25839	0.3
123.00897	5.9
124.01669	2.0
125.02466	46.3
126.02786	1.3
127.04025	1.2
135.04590	2.0
136.04884	0.7
137.02472	3.1
138.03265	2.5
139.04024	2.0
145.01465	0.9
155.03543	2.9
169.01450	100.0
170.01758	3.5
171.03046	0.4
173.04573	22.8
174.04951	0.7
183.99390	0.4
191.05643	22.6
192.06006	0.5
201.02623	2.9
211.02565	0.4
255.90967	0.4
322.63266	0.5
343.06747	19.2
344.07104	1.5
355.34799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
59.01385	1.4
62.14077	1.2
69.09598	6.3
76.97112	1.4
83.01395	80.0
88.34505	1.2
95.04985	2.6
98.21803	2.2
104.10619	1.1
119.01210	1.5
131.05048	1.3
145.06664	1.5
156.49117	1.2
161.06161	1.3
189.05542	7.4
203.07120	1.7
213.05609	2.5
215.03529	7.4
215.07227	2.1
229.05043	4.4
231.06639	48.1
232.06998	2.9
255.06708	3.1
257.04593	5.8
257.08350	1.8
259.06134	47.4
260.06381	3.4
269.04602	3.7
285.04065	3.2
286.04730	2.6
299.06097	1.4
299.09344	7.9
300.09540	1.9
301.07236	5.5
312.99982	2.0
313.03574	36.1
314.03909	3.2
328.05908	94.3
329.06158	7.0
334.95645	1.5
335.91684	1.5
343.08258	100.0
344.08545	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	343.0827
Annotation	Cirsilineol
Peak:m/z	Relative Intensity
59.01400	5.4
69.60396	3.4
71.01372	2.6
71.65405	0.8
76.93149	0.9
89.02467	2.1
96.96043	4.3
101.02448	1.1
112.48738	1.1
119.05024	2.2
120.99667	17.2
135.04498	2.0
141.00418	1.0
145.02917	1.2
171.04596	1.6
171.08151	1.2
179.03497	1.1
187.07619	1.6
189.01889	1.7
190.02701	2.1
190.99658	0.9
197.02347	0.9
198.03146	1.0
199.07642	3.6
201.05411	1.0
202.02702	3.4
203.03418	2.2
212.04810	1.0
213.02026	1.0
215.03487	1.8
216.04305	2.6
217.01584	1.2
225.05606	5.5
227.03471	5.8
227.07124	2.9
229.05104	2.1
230.05873	1.6
231.03041	1.8
231.06639	5.2
232.07228	1.1
239.03458	2.6
240.04247	3.1
241.05058	3.7
242.02267	2.8
243.03011	15.8
243.06627	2.6
244.07295	1.1
245.01093	1.0
253.05087	4.0
254.05833	3.0
255.06650	6.8
256.03818	6.1
256.07034	1.2
257.04596	2.8
258.05344	1.6
259.02502	5.0
259.06097	6.1
260.06900	1.8
269.04559	3.2
269.08084	1.7
270.05243	2.8
271.02505	15.6
271.06143	19.0
271.09753	21.0
272.03128	1.7
272.06567	2.2
272.09845	1.4
273.07709	1.3
281.04575	2.4
282.05338	3.1
283.06113	1.6
284.03314	1.2
285.04092	21.9
285.10587	1.2
286.04575	1.7
287.09247	2.1
297.07571	4.3
299.05658	80.4
299.09070	5.6
300.06308	28.6
301.06775	1.7
301.09790	1.4
314.04456	2.4
315.08701	3.9
325.07224	5.5
328.12177	1.6
343.08212	100.0
344.08569	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	343.0824
Annotation	hyperxanthone C
Peak:m/z	Relative Intensity
57.03436	1.8
59.01391	2.5
71.01396	1.9
71.05006	1.4
83.05013	1.5
83.50562	1.1
85.02946	2.0
87.04513	2.0
97.06584	2.6
106.04248	2.4
107.05019	1.4
119.05024	1.7
123.00930	2.1
124.01672	3.5
125.02452	4.2
133.02946	2.1
135.04491	1.7
145.02943	5.0
146.03734	1.8
147.04521	3.2
149.04878	1.5
150.05589	2.6
152.04778	2.5
161.02440	4.2
163.04030	2.6
169.01460	4.1
171.10240	7.3
173.02458	5.9
174.03236	3.9
176.01132	5.0
177.01939	2.9
179.03481	1.8
182.04585	19.0
189.01965	10.6
190.02708	32.3
191.03508	23.4
201.01935	3.5
202.02707	9.0
203.03560	6.5
204.00783	1.8
205.01419	3.0
211.13324	2.1
215.03506	2.2
217.01439	5.6
218.02211	25.9
219.02974	25.2
222.01805	1.9
227.03528	3.6
228.00670	3.8
229.01448	18.1
229.04907	2.4
229.14503	4.7
230.02144	4.6
231.02858	1.6
237.14999	5.4
238.66829	1.3
240.04475	2.1
241.05107	1.8
242.02206	4.0
243.03061	9.1
243.06619	1.9
244.07208	1.5
245.00909	9.7
246.01718	28.8
247.02383	12.1
255.02988	2.3
255.06583	2.5
256.68759	1.3
259.02509	34.1
259.09818	1.6
260.02844	1.8
267.02896	1.6
269.08145	2.4
270.23206	1.6
271.02603	3.0
271.06128	5.4
271.09750	4.9
272.03210	1.6
272.06491	1.9
274.01172	20.3
281.08087	2.8
283.06500	1.7
287.09253	5.2
296.03378	1.8
297.07632	5.4
299.05609	5.2
299.09302	5.7
300.06299	4.8
313.00159	1.8
313.07248	2.4
315.08704	10.6
325.07120	13.5
325.20343	3.7
326.07657	1.5
343.08243	100.0
343.21289	40.2
344.09921	14.7
344.21667	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	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17472	0.6
54.93911	0.6
59.01385	6.6
59.01645	1.1
61.98832	1.1
63.96225	1.0
69.36115	3.3
71.01382	1.7
73.02969	0.6
82.02955	0.6
83.01394	1.1
85.02972	4.5
87.00900	1.1
90.78022	0.7
93.03465	2.0
95.01410	6.0
101.02441	1.2
107.01393	4.6
107.05019	0.7
108.02213	1.0
109.02991	0.9
111.04490	0.9
121.02990	2.6
123.00903	100.0
124.01703	27.7
125.02491	10.7
135.04543	1.3
137.02492	2.3
138.03246	53.6
139.04042	41.3
139.05157	1.2
140.04369	1.9
149.02460	0.8
150.03258	1.3
161.04530	0.8
161.59108	0.6
163.04079	1.3
165.01936	1.0
166.02740	2.4
169.01448	18.6
170.01753	1.2
173.04584	2.4
178.02673	0.9
181.05081	5.1
191.05632	29.3
192.06094	0.9
193.05058	2.0
197.04625	1.4
275.60474	0.7
279.42303	0.7
284.08292	0.8
287.72406	0.7
306.94806	0.8
343.07184	3.5
343.10400	3.1
344.07065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45232	0.6
55.03299	0.6
56.98038	4.1
57.94799	0.6
59.01374	1.7
63.96235	2.1
70.99612	3.1
71.01382	13.1
72.99319	6.7
73.01166	1.8
73.98306	1.4
74.99104	67.6
76.63846	0.8
87.00891	8.2
89.02404	0.7
95.08683	1.0
98.99118	30.8
101.02422	0.7
109.02960	0.6
115.02316	0.7
117.00160	0.7
117.97315	1.2
118.98089	3.2
121.02921	0.7
121.06612	11.4
124.01671	1.8
125.02461	1.0
130.08745	1.1
135.98375	5.9
136.99161	50.2
137.09735	100.0
137.99478	0.6
138.10051	4.8
139.04057	0.9
161.09805	1.7
164.04787	0.6
168.06178	3.8
169.06961	6.9
177.12900	3.5
179.05510	0.8
191.05585	3.2
191.10831	1.0
199.18208	0.8
203.10797	4.5
207.06654	1.2
229.12386	0.8
237.09561	10.3
238.09933	0.7
255.10683	1.7
263.11200	1.1
343.12238	61.4
344.12689	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01718	0.6
69.48164	1.5
71.01376	4.7
74.79819	0.4
75.96559	0.5
85.02969	0.7
87.00909	0.6
89.02457	5.0
96.96008	0.7
97.98746	0.4
101.02462	1.3
113.02486	1.9
115.11669	0.6
118.98160	0.6
119.03525	1.8
121.03014	0.4
124.60843	0.5
125.02439	0.5
145.04630	0.4
153.87469	0.4
156.55025	0.5
197.11803	0.7
210.22705	0.5
343.08435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16620	0.6
59.01384	100.0
60.01712	1.5
71.01385	4.2
71.43659	0.6
72.97542	0.7
79.95744	0.9
85.65910	0.6
89.02446	4.4
96.96033	6.4
99.42319	0.6
101.02491	2.0
109.02995	0.9
113.02490	2.4
116.40303	0.6
119.03518	1.3
123.29242	0.6
135.04607	1.9
179.03534	1.1
187.07690	0.7
218.02322	0.9
227.03482	3.1
229.01413	0.8
243.03067	0.9
246.01778	0.7
263.13074	1.7
271.09879	1.7
273.93790	0.7
299.02039	4.3
299.09564	1.2
343.07938	1.9
343.11609	5.1
343.21310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01379	2.2
64.30543	0.6
69.03438	2.1
83.05042	1.2
87.04176	0.6
97.06605	0.9
98.22696	1.2
99.08176	9.8
110.56918	0.6
121.10237	2.1
125.09733	1.2
137.09666	1.4
139.11264	1.0
165.12811	0.7
166.69991	0.5
171.10289	22.2
172.10524	0.7
175.11287	1.2
193.12347	16.6
211.13422	3.5
224.91905	0.7
225.14981	21.4
226.15393	0.9
243.16008	7.8
293.21262	3.3
313.00076	1.2
343.24911	100.0
344.25250	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01376	1.1
60.06691	0.5
69.03448	0.7
70.08297	1.2
70.08636	0.8
79.71254	0.5
83.05064	0.7
93.30563	0.5
98.22002	0.8
99.08167	3.6
119.37286	0.6
121.10248	6.0
125.09742	1.2
127.11284	1.5
137.09749	1.6
139.11301	2.4
140.10866	0.6
153.09229	0.6
171.10280	39.6
172.10641	1.3
183.40327	0.5
183.56294	0.6
193.12355	7.0
211.13405	1.4
223.82693	0.7
225.14986	9.8
243.15993	3.6
289.18265	1.6
293.21225	2.8
312.99933	0.9
328.02063	1.1
343.24908	100.0
344.25272	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	344.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98826	6.9
71.01379	14.6
85.02962	11.7
93.03443	8.0
94.03812	4.8
101.02438	6.9
105.71805	5.9
113.02464	6.2
123.00891	54.5
124.01653	15.6
125.02487	33.2
126.02807	9.8
138.03247	29.7
139.03986	20.6
153.01851	5.6
159.01453	7.1
161.04535	7.0
168.00656	11.0
169.01476	39.4
170.01723	21.7
173.04536	6.9
179.34517	5.0
181.05148	6.3
183.02977	15.2
183.99315	17.8
184.99530	7.5
187.01057	8.8
191.05627	72.0
192.05969	59.6
201.02568	40.5
202.02754	42.4
202.98714	12.1
203.02229	12.5
211.02533	5.9
241.03426	14.4
290.97202	8.1
301.09161	12.4
313.05655	21.9
344.07410	16.2
369.14996	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	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16820	47.6
69.72540	95.3
84.26022	43.2
90.11069	41.8
98.21939	100.0
137.91943	46.0
138.09076	48.7
163.03983	57.5
168.83876	47.4
217.74654	44.4
278.89706	51.8
356.24792	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	344.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95013	22.2
66.17936	20.1
71.39814	18.6
72.47372	19.2
107.49472	19.7
156.43007	20.9
164.99599	21.7
228.97740	24.5
232.08772	21.5
344.21848	100.0
344.28833	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
59.22792	0.3
71.01387	1.1
79.05170	0.3
79.95284	0.6
79.95743	6.4
80.96546	0.5
80.98375	0.3
85.02947	0.4
88.20468	0.3
89.02454	0.5
93.03435	0.3
98.21907	1.0
99.00842	0.3
101.02427	0.7
107.01376	0.3
107.05038	0.9
113.02519	0.5
119.05038	100.0
120.05366	4.4
122.06120	0.3
123.00896	0.5
124.01680	2.8
125.02486	2.5
131.61914	0.3
135.04536	13.6
139.00395	0.6
140.01163	0.5
146.06161	1.5
156.04547	0.5
163.04015	6.9
164.04347	0.4
168.00615	0.9
169.01431	2.4
181.36565	0.3
182.04591	2.3
183.04915	2.6
199.00719	40.3
200.01054	1.7
202.05130	0.7
215.00201	20.1
216.00516	1.0
241.03850	0.3
242.99683	3.8
244.00174	0.6
269.06592	1.9
269.56808	0.6
326.20303	0.3
344.60425	0.6
345.06461	23.5
345.10675	5.8
345.22830	1.0
345.61008	1.8
346.06235	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0827
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01381	12.3
60.95497	0.8
69.71492	1.9
69.71883	2.4
71.01397	6.2
85.02995	0.9
89.02442	2.7
99.00887	1.3
101.02433	2.7
103.05549	2.1
106.04240	1.4
107.01397	4.0
108.02178	1.1
112.04059	2.1
113.02412	1.3
119.03513	1.6
119.04993	1.5
121.06584	3.9
123.00903	2.8
124.01671	31.0
125.02431	3.4
139.00299	1.2
139.04033	14.1
140.01137	0.9
145.01456	1.1
151.00424	1.1
152.01143	1.1
161.02425	1.0
165.05553	3.3
166.05058	2.0
168.00650	39.3
169.01373	6.0
177.01923	1.0
182.02220	1.5
183.02997	100.0
184.03307	4.5
184.06111	1.1
211.02411	2.2
225.03993	3.5
241.03578	4.2
248.95992	1.5
255.04893	1.2
285.06262	2.4
290.97238	2.4
313.05795	5.0
345.08301	11.1
348.56226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71844	0.6
55.91458	0.9
59.01385	20.5
65.03961	2.3
69.34322	2.8
71.01385	11.2
74.02478	0.9
78.95905	0.8
80.02670	4.0
82.57037	0.8
85.02968	1.9
89.02458	9.0
93.07085	1.6
94.98521	0.7
95.01407	1.3
99.76428	0.7
101.02438	6.5
102.04754	1.0
103.05543	18.5
104.05991	0.8
106.04261	9.9
107.01361	1.0
109.03001	0.8
112.04129	0.7
113.02470	3.2
119.03507	2.6
119.05043	3.6
121.06609	24.9
122.06877	0.8
123.00895	0.9
124.01678	33.8
130.08754	1.8
134.04718	0.8
137.02513	1.2
139.00389	1.1
139.04016	10.3
139.07701	1.3
153.01976	1.5
165.04298	0.6
165.05585	19.1
168.00656	44.7
169.01068	2.2
178.99939	0.8
183.03003	100.0
183.06554	3.2
184.03328	3.1
187.00432	0.8
225.04070	1.2
248.95903	0.9
272.70425	0.8
274.18384	0.8
290.97205	1.2
301.15329	0.8
307.07288	1.0
325.00742	0.7
345.08130	2.8
345.11990	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	345.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68179	2.4
59.01384	6.4
63.48048	2.8
71.01393	8.2
73.02947	2.9
83.04994	3.1
97.02954	10.9
98.22703	4.8
105.07136	4.4
107.01414	3.1
107.05032	3.9
108.05837	7.1
109.02966	7.7
111.04533	7.2
113.06097	11.1
116.92867	2.9
119.08659	3.5
121.06623	4.6
122.03736	9.1
123.00915	5.0
123.08172	6.7
124.01688	8.6
125.02502	12.0
125.06077	27.5
136.05324	8.2
137.06071	6.2
138.06900	19.2
139.07658	30.0
148.05295	4.9
149.06090	5.7
151.07663	64.3
152.04771	8.3
152.08417	24.2
153.09233	21.0
159.11781	5.2
161.09734	7.6
163.07648	9.0
167.07089	5.8
169.01465	13.5
173.09679	3.1
177.09238	6.3
178.10017	22.2
189.09200	4.1
201.09245	3.4
201.12851	27.2
202.13152	3.8
203.10803	20.7
204.11519	43.1
215.10841	6.7
217.12337	9.5
219.13919	64.7
220.14212	5.5
259.13156	8.6
263.12900	54.8
264.13272	3.6
267.10049	25.9
269.06702	9.5
270.08856	3.8
285.11124	100.0
286.11365	7.5
301.13040	4.7
314.97736	6.4
319.14053	8.3
330.00394	4.2
345.02399	3.9
345.12079	37.5
345.22607	11.1
345.61084	7.7
346.12164	4.7
354.30969	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	345.1558
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01881	1.8
55.03815	1.1
57.03457	1.8
58.00596	1.6
59.01386	90.9
59.06921	1.0
60.01721	1.4
69.03429	1.2
71.01390	42.3
71.93779	1.0
72.99306	2.9
79.95734	1.8
83.01373	2.3
85.02962	9.8
86.03262	1.0
87.00879	2.3
89.02454	37.1
89.42281	1.0
95.01419	2.5
98.21783	1.5
101.02459	25.9
102.28333	1.0
107.01418	1.0
107.05039	1.5
111.00902	1.3
113.02463	14.1
119.03539	16.1
119.05039	21.1
120.99668	1.6
121.10245	48.9
122.10559	2.6
123.00900	2.4
124.01658	8.6
125.01807	1.0
125.02480	10.2
127.00371	1.1
131.03482	1.0
133.02936	2.9
134.03722	1.0
135.04541	36.4
136.04913	1.3
137.09741	8.7
139.00325	1.6
140.01157	2.3
143.03511	1.2
145.01427	1.3
151.00328	2.2
154.00200	1.0
161.02467	15.7
161.04576	1.2
163.03967	1.9
165.09222	77.9
166.09538	3.2
168.00629	3.5
169.01462	10.6
179.03511	10.1
179.05499	1.8
183.10280	45.6
184.10602	2.9
193.01421	1.2
199.00722	7.4
215.00200	4.2
263.05878	1.0
268.56152	1.6
269.06659	15.3
269.56818	3.8
271.04538	1.1
301.07230	1.3
330.07486	1.2
336.10052	1.3
345.06403	5.5
345.10736	15.2
345.15494	100.0
345.22510	3.9
345.61096	6.1
346.11346	3.7
346.15921	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	345.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67111	28.6
61.98846	48.5
186.95502	38.5
260.87128	37.5
309.20715	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	345.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.0
55.36539	1.0
57.03454	7.9
59.01384	35.7
69.03481	2.3
69.47216	3.9
71.01389	100.0
71.05009	1.5
72.01711	1.1
72.99300	2.4
73.02953	36.1
75.00883	2.5
83.01398	14.4
83.52509	1.0
85.02959	47.9
87.00880	2.5
89.02456	10.1
95.01418	7.7
97.02962	3.1
98.21893	1.0
99.00893	12.6
99.04521	5.5
101.02452	60.7
101.06078	1.4
113.02459	39.1
114.02837	1.1
119.03534	1.5
124.01671	1.5
125.02459	2.9
129.01909	1.1
143.03551	2.4
151.07268	1.0
159.03006	7.3
161.04573	29.2
183.13931	5.5
197.58522	1.1
219.08777	9.5
235.84377	1.1
345.10419	2.0
345.19217	2.1
345.22815	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86731	0.4
51.94500	0.4
59.01384	51.1
60.01717	5.0
61.01804	1.7
61.98835	100.0
70.95044	0.5
78.22079	0.4
96.96024	0.8
118.87006	0.4
125.39053	0.5
157.03596	1.0
158.03755	1.4
159.03394	1.8
160.03703	0.7
161.01289	0.8
201.02571	7.0
202.02734	20.9
203.02309	24.6
204.00014	39.8
204.02704	7.0
205.00145	3.1
205.02797	0.9
216.81998	0.5
256.36218	0.8
256.86017	1.2
296.34012	1.1
296.83865	1.7
297.83679	0.7
317.91153	0.5
346.04221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.5
64.67582	0.4
65.03191	0.4
70.94891	0.8
70.95237	0.6
71.01067	0.5
71.01395	5.9
80.48435	0.5
81.23708	0.4
82.18750	0.5
84.00941	0.5
88.90088	0.4
95.05029	3.4
112.04059	31.5
113.04412	0.8
122.06142	1.0
123.04497	0.5
124.04061	8.0
126.05592	3.7
137.06032	0.6
138.01178	0.5
138.05606	0.5
138.09248	0.7
140.07188	3.4
141.05623	0.7
143.80328	0.5
154.05103	7.0
154.08731	0.6
164.07193	0.9
166.05109	100.0
167.05453	3.6
167.38965	0.5
175.29727	0.5
181.86079	0.5
182.08232	30.2
183.08575	2.0
184.06161	8.4
208.06007	0.5
226.07245	9.4
227.07584	0.9
328.10394	4.1
346.11475	22.3
347.11768	1.8
365.29599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	78.4
70.63374	14.7
70.63711	22.5
71.01390	43.2
72.79778	14.5
72.99323	13.5
73.02934	18.9
75.23696	11.6
78.95924	95.4
83.27213	11.5
85.02990	18.2
87.00896	16.5
89.02445	100.0
91.69771	10.8
99.00874	27.2
101.02460	40.1
103.00378	23.6
103.92031	13.6
111.00874	24.3
113.02415	17.5
113.36542	13.9
115.00318	13.8
121.18283	14.3
131.03555	26.6
133.01425	27.6
149.04585	92.9
151.04036	13.9
155.01825	12.4
182.97823	15.1
191.01828	14.1
191.05666	31.9
242.99933	14.3
347.07635	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	28.8
61.98846	38.4
71.01385	17.9
72.04738	7.3
78.95905	12.8
101.02414	9.8
109.02927	10.7
113.02463	10.3
117.00481	11.2
122.27244	11.5
123.00896	65.8
124.01694	13.4
126.05672	7.6
134.04727	100.0
138.03258	60.5
139.04013	17.6
141.00375	15.7
143.01991	12.1
151.04001	9.0
161.04579	15.1
166.05049	24.2
167.05402	23.9
174.02779	11.7
174.38980	7.6
181.05042	11.0
182.08209	9.9
183.01517	9.4
187.35703	7.2
189.00697	8.2
202.98711	8.8
213.02574	14.8
216.03780	27.4
301.09299	25.0
314.15274	7.8
324.95773	8.5
348.08020	44.0
368.56125	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13153	0.6
55.01877	2.2
57.03446	2.2
58.00604	2.0
59.01385	100.0
60.01712	0.9
60.61943	0.8
70.29881	0.8
71.01389	62.9
72.37052	0.9
72.99332	2.0
73.02958	5.9
83.01401	3.4
85.02962	15.0
87.00883	2.8
89.02454	63.4
90.02814	0.8
90.39439	0.8
95.01397	4.3
97.02942	0.9
97.06614	1.9
98.22664	1.6
99.00889	2.2
101.02454	30.7
105.03490	1.6
112.40542	0.8
113.01709	1.6
113.02469	22.4
115.07677	1.0
119.02670	1.1
119.03520	21.3
119.05020	3.1
120.03860	1.1
123.08213	0.9
125.02435	1.3
131.03519	2.5
133.02969	5.1
138.02008	0.9
141.49844	0.8
143.03500	2.9
149.04553	1.0
161.02400	0.8
161.04556	9.0
167.07130	1.4
179.05669	4.6
185.11795	1.0
282.95480	0.8
347.07999	1.0
347.12772	1.3
347.17081	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	347.1715
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01879	1.3
57.03432	1.2
59.01386	78.0
69.60659	2.9
71.01390	36.6
72.99300	1.1
73.02934	1.8
83.01389	3.4
85.02959	8.3
87.00892	1.5
89.02452	36.8
95.01379	2.7
98.21906	0.8
99.00887	1.2
101.02454	27.2
113.02460	15.6
119.03515	19.2
120.03854	0.7
123.04510	0.8
124.01768	0.7
124.04005	0.8
125.02440	1.2
131.03551	1.2
143.03511	1.5
143.07089	0.6
149.04555	1.0
151.00298	0.8
161.04575	2.5
167.10785	47.9
168.11131	2.6
173.52643	0.7
179.05634	2.2
185.11847	11.5
190.76443	0.7
202.76703	0.7
211.07956	0.7
244.11656	0.6
250.52460	0.7
287.01956	0.8
327.24731	0.7
347.17130	100.0
348.17505	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	347.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31324	29.0
71.41602	47.9
85.00436	100.0
285.20355	33.6
307.69995	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	348.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98756	0.3
52.41709	0.3
59.01395	1.1
61.98835	100.0
62.98553	0.4
63.99258	0.8
70.73007	0.4
73.83648	0.3
116.38042	0.3
119.29662	0.3
126.81815	0.3
146.95290	0.5
155.18132	0.3
162.98540	1.4
171.62122	0.3
176.32581	0.3
193.64946	0.3
204.00017	1.3
205.00177	3.5
205.99763	3.2
206.97456	56.6
207.93472	0.3
207.97572	4.5
207.99626	0.4
348.98672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0602
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
55.01877	0.4
57.03445	0.6
59.01384	4.1
70.13605	0.5
70.13912	0.6
71.01385	4.7
72.99319	0.6
73.02957	1.3
75.52675	0.4
79.95743	12.9
80.96519	7.5
83.01402	1.3
85.02953	2.2
87.00880	2.2
89.02451	1.7
96.96019	100.0
97.02928	0.5
99.00916	0.7
101.02434	5.1
113.02454	2.7
119.03509	0.6
122.97591	0.5
125.02503	0.5
137.96326	1.0
138.97086	5.2
150.97076	1.6
152.40727	0.4
161.04558	0.8
166.91475	0.4
166.96611	0.7
241.00266	14.9
275.68344	0.4
308.58148	0.6
349.05997	88.2
350.06326	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	349.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.0
69.56602	0.7
69.56953	1.2
71.01382	3.9
72.99303	0.5
73.02955	1.7
79.95747	12.0
79.96218	0.7
80.96528	7.3
83.01398	1.2
85.02976	2.5
87.00873	1.8
89.02457	0.5
91.82841	0.4
93.82590	0.3
95.01367	0.4
96.96020	100.0
97.95989	0.4
99.00880	0.7
101.02439	4.7
113.02456	1.8
116.42576	0.4
121.02940	0.8
122.97623	0.9
137.96277	0.7
138.97090	5.5
148.33826	0.3
150.97083	1.2
166.96573	1.5
169.01550	0.4
180.98148	0.5
217.08763	0.4
227.21895	0.4
241.00270	15.5
241.02744	0.8
349.06009	93.6
350.06262	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	349.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
57.78894	1.0
59.01385	20.0
64.48196	0.9
68.90190	0.9
69.03440	1.6
69.58156	4.2
71.01398	1.0
72.92759	0.9
75.35414	0.9
87.00883	100.0
88.01225	2.3
96.96017	2.3
98.21876	1.9
109.02978	1.3
113.06063	1.1
130.99876	5.4
132.32593	0.9
146.03761	2.6
147.04533	2.7
148.05333	2.2
149.06100	13.5
159.04539	8.1
160.05234	1.7
161.06111	3.4
164.04854	1.1
172.05295	1.2
173.06145	13.2
174.03256	3.8
174.06721	2.0
175.07675	3.3
183.08318	0.9
185.06131	2.2
186.06873	2.8
187.03992	4.7
187.07664	4.5
188.04808	29.7
189.05490	4.1
189.09230	3.6
191.10771	3.0
191.49219	1.1
193.05081	1.9
199.07664	7.3
201.05626	4.9
201.09325	1.6
202.06329	6.1
203.07149	4.2
204.07936	1.2
205.08667	1.5
209.06172	1.5
212.04784	1.6
214.06392	3.4
215.07130	1.9
215.11055	1.2
216.07986	1.7
217.08708	33.1
218.09050	3.7
225.09229	2.6
226.06155	1.0
227.07153	8.0
231.06625	1.3
232.07483	1.4
243.10303	7.1
244.10835	1.1
245.08214	9.0
259.09778	3.6
261.11279	4.1
271.06116	6.2
284.30380	1.1
287.09232	3.4
305.10229	1.2
331.08109	1.4
349.05069	1.8
349.09317	33.3
349.52609	1.0
350.09314	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	349.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93550	1.8
58.52885	2.0
59.01384	100.0
64.62562	1.8
69.05013	10.3
69.05408	4.0
71.01389	11.7
79.28052	1.8
82.00488	1.7
85.02967	2.8
86.80422	1.8
89.02426	4.4
96.96034	4.4
98.01535	1.9
98.21864	2.9
101.02459	8.2
107.05000	1.9
107.50391	2.0
113.02458	5.5
119.03513	2.2
125.06110	2.9
135.04564	14.3
149.06107	3.3
161.04639	8.4
169.05185	2.0
179.03490	4.2
187.06143	3.3
189.05586	2.7
191.00298	8.3
205.99049	1.9
222.11859	2.1
234.99228	7.3
277.00351	8.8
277.03427	2.0
289.00061	3.8
289.09238	3.9
349.02399	5.8
349.06122	3.3
349.11511	6.2
349.15225	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56246	0.7
53.81271	0.7
57.03437	0.8
59.01384	100.0
62.76867	0.8
69.22905	3.6
70.00777	0.8
71.01390	3.1
75.32799	0.7
83.01384	1.3
85.02950	0.9
87.00881	9.6
89.02474	1.7
96.96024	2.3
101.02439	2.1
107.01392	1.4
108.53506	0.9
113.02470	1.1
116.92823	0.8
123.00838	1.2
123.04526	0.9
124.01713	1.4
125.02473	5.6
136.01680	0.9
142.19501	0.7
149.02470	2.3
149.06068	1.5
151.00409	2.1
151.04042	1.7
159.04539	1.4
161.06100	0.7
162.03284	1.7
162.04784	0.8
165.05524	0.9
169.01448	2.3
173.06059	0.9
178.99870	1.4
185.06032	1.7
188.04778	3.7
188.12924	1.4
199.07614	1.0
216.07950	1.5
217.08658	2.6
218.09094	0.8
243.10361	0.9
297.89383	0.7
305.10373	6.1
314.18808	0.7
318.54111	1.7
326.05139	2.6
349.09402	4.0
349.12888	1.2
349.22293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08170	0.6
52.83234	0.7
55.01881	3.7
56.34919	0.6
57.03458	3.5
58.00596	1.2
59.01385	100.0
60.01715	0.7
69.03457	1.6
71.01386	72.5
72.01730	1.3
72.99319	2.1
73.02946	11.5
75.00881	3.3
80.96539	0.8
81.07105	1.2
83.01380	6.3
85.02955	21.8
87.00878	3.9
87.04534	3.0
89.02451	48.7
90.02802	1.1
92.01842	0.6
95.01382	5.2
96.96023	6.7
97.02981	1.4
99.00903	6.1
99.04524	11.3
101.02451	42.9
102.02795	1.0
107.05034	0.8
113.02458	30.5
113.06135	0.8
114.02832	0.9
119.03520	20.5
125.02496	1.8
126.30541	0.6
129.01959	0.8
131.03525	2.5
134.03760	0.8
135.04539	2.9
143.03531	3.7
149.04564	1.6
159.03015	3.3
161.04572	23.1
162.04901	0.9
169.01453	0.9
179.03462	1.1
179.05609	2.5
187.13416	13.2
188.13834	1.0
191.00282	1.8
234.99138	1.2
249.06123	2.0
277.00397	2.0
289.00256	1.7
289.06390	0.7
289.09604	0.7
345.50107	0.8
349.02426	0.6
349.06516	5.7
349.12070	5.0
349.14981	3.6
349.18695	23.9
350.15210	1.2
350.19040	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	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01871	3.6
57.03446	4.7
58.00578	1.5
59.01383	100.0
69.03473	1.5
69.37254	5.3
71.01386	73.0
72.01743	1.4
72.99310	2.7
73.02945	13.3
78.95904	1.7
79.95712	1.6
81.07120	1.1
83.01379	6.0
85.02957	21.4
87.00884	3.2
87.04539	1.2
88.98991	1.1
89.02452	50.8
95.01384	5.8
96.96025	11.1
97.02981	1.2
97.06623	1.3
98.22613	2.2
99.00882	3.9
99.04519	2.2
101.02456	46.2
102.02835	1.2
108.87651	1.0
109.03057	1.1
113.02458	30.7
119.03519	27.0
119.05012	3.6
121.02972	41.7
122.03278	1.6
128.03535	1.3
131.03491	3.5
135.04536	2.6
143.03529	6.2
152.99600	5.0
159.02963	2.8
159.04437	1.4
161.04584	17.3
163.03966	1.8
164.04788	2.3
169.01515	1.7
174.06837	1.7
179.05655	7.8
183.10222	2.0
187.13306	5.9
188.04797	9.7
189.05562	3.6
191.03450	2.4
203.07193	2.3
204.07838	2.4
206.09148	1.2
214.06396	2.3
217.08701	21.7
218.09079	1.8
241.00227	1.8
243.10191	2.3
247.02507	2.1
261.11288	4.5
272.11896	1.2
290.00671	2.7
346.00360	1.5
349.06409	12.9
349.14749	3.2
349.18677	37.2
349.54068	1.4
350.18954	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	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03516	0.6
59.01385	100.0
60.01715	0.6
71.01384	3.4
73.02966	1.1
83.01399	0.8
85.02953	1.2
85.73532	0.5
90.49596	0.6
91.63041	0.5
99.00917	0.9
101.02492	1.2
104.91162	0.5
112.47200	0.5
113.02470	1.3
125.02434	0.8
157.71437	0.5
161.04625	1.7
164.66740	0.5
167.98729	0.5
187.32301	0.5
251.01865	0.6
289.16687	1.7
349.61139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
57.03446	4.7
58.00578	1.5
59.01383	100.0
69.03473	1.5
69.37254	5.3
71.01386	73.0
72.01743	1.4
72.99310	2.7
73.02945	13.3
78.95904	1.7
79.95712	1.6
81.07120	1.1
83.01379	6.0
85.02957	21.4
87.00884	3.2
87.04539	1.2
88.98991	1.1
89.02452	50.8
95.01384	5.8
96.96025	11.1
97.02981	1.2
97.06623	1.3
98.22613	2.2
99.00882	3.9
99.04519	2.2
101.02456	46.2
102.02835	1.2
108.87651	1.0
109.03057	1.1
113.02458	30.7
119.03519	27.0
119.05012	3.6
121.02972	41.7
122.03278	1.6
128.03535	1.3
131.03491	3.5
135.04536	2.6
143.03529	6.2
152.99600	5.0
159.02963	2.8
159.04437	1.4
161.04584	17.3
163.03966	1.8
164.04788	2.3
169.01515	1.7
174.06837	1.7
179.05655	7.8
183.10222	2.0
187.13306	5.9
188.04797	9.7
189.05562	3.6
191.03450	2.4
203.07193	2.3
204.07838	2.4
206.09148	1.2
214.06396	2.3
217.08701	21.7
218.09079	1.8
241.00227	1.8
243.10191	2.3
247.02507	2.1
261.11288	4.5
272.11896	1.2
290.00671	2.7
346.00360	1.5
349.06409	12.9
349.14749	3.2
349.18677	37.2
349.54068	1.4
350.18954	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	349.1873
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.08170	0.6
52.83234	0.7
55.01881	3.7
56.34919	0.6
57.03458	3.5
58.00596	1.2
59.01385	100.0
60.01715	0.7
69.03457	1.6
71.01386	72.5
72.01730	1.3
72.99319	2.1
73.02946	11.5
75.00881	3.3
80.96539	0.8
81.07105	1.2
83.01380	6.3
85.02955	21.8
87.00878	3.9
87.04534	3.0
89.02451	48.7
90.02802	1.1
92.01842	0.6
95.01382	5.2
96.96023	6.7
97.02981	1.4
99.00903	6.1
99.04524	11.3
101.02451	42.9
102.02795	1.0
107.05034	0.8
113.02458	30.5
113.06135	0.8
114.02832	0.9
119.03520	20.5
125.02496	1.8
126.30541	0.6
129.01959	0.8
131.03525	2.5
134.03760	0.8
135.04539	2.9
143.03531	3.7
149.04564	1.6
159.03015	3.3
161.04572	23.1
162.04901	0.9
169.01453	0.9
179.03462	1.1
179.05609	2.5
187.13416	13.2
188.13834	1.0
191.00282	1.8
234.99138	1.2
249.06123	2.0
277.00397	2.0
289.00256	1.7
289.06390	0.7
289.09604	0.7
345.50107	0.8
349.02426	0.6
349.06516	5.7
349.12070	5.0
349.14981	3.6
349.18695	23.9
350.15210	1.2
350.19040	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	350.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
71.01394	1.0
76.38431	0.3
84.48493	0.3
85.02943	0.3
89.02458	0.5
101.02451	0.5
113.02489	0.3
123.04513	0.6
144.04564	100.0
145.04915	4.7
150.94810	1.5
153.05580	1.0
156.13091	0.3
189.07735	0.8
192.95879	9.6
228.06865	0.3
228.80865	0.3
230.01653	0.3
259.02390	0.3
266.81244	0.3
302.68890	0.3
306.09787	0.7
315.10980	0.3
350.14865	0.3
351.12823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55270	2.7
51.97318	2.5
56.46396	2.6
59.01386	11.9
67.01893	3.0
71.01377	4.8
71.40632	3.1
77.43680	2.7
87.00921	3.0
89.02509	3.1
91.05546	8.5
93.03487	5.3
100.48101	2.5
106.04283	8.1
107.05057	8.5
108.02131	3.0
109.14967	2.6
117.54411	2.5
119.05054	12.1
121.02993	7.7
132.02174	3.0
133.02975	8.5
135.04539	7.9
143.52968	2.7
145.02965	13.3
147.04474	15.1
149.06131	4.2
161.02443	4.9
163.04004	9.2
166.17039	3.0
173.02415	8.5
175.04048	40.7
177.05550	5.1
179.03506	9.4
190.02777	6.3
191.03517	48.3
192.95898	3.1
201.01808	8.4
204.00627	3.5
206.61122	2.8
219.03024	100.0
220.03325	6.3
221.04591	3.3
239.05641	25.6
245.01079	5.6
261.00647	3.8
261.03680	14.8
263.01984	36.0
264.02151	4.0
292.31735	2.8
307.00986	47.0
307.04556	5.7
344.91751	3.3
351.16418	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	351.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27631	0.9
57.18303	0.9
57.75857	0.9
69.34884	4.4
76.77314	0.9
83.05042	1.4
87.00883	100.0
88.01208	1.8
91.46130	1.1
93.03482	2.9
95.05025	1.0
97.06566	6.3
101.06128	1.7
105.03480	1.3
106.04227	2.4
107.05040	17.9
111.04532	2.4
112.05319	4.0
119.05027	1.9
121.02969	33.8
122.03760	29.8
130.99876	49.5
132.00674	13.1
134.03763	14.4
135.04489	3.0
137.02455	5.3
139.03987	1.2
147.04546	21.7
148.05322	10.1
149.02458	3.3
163.04036	10.1
164.04848	5.1
165.05598	2.1
190.10025	2.3
191.03546	4.1
191.10818	19.8
192.04335	6.1
192.11209	1.1
194.02196	3.9
201.09230	2.4
218.78935	0.9
219.10262	7.3
254.04343	40.1
255.04781	2.8
261.11227	2.3
289.10699	1.6
291.08801	10.5
351.10855	52.8
352.11020	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95621	1.4
59.01364	2.2
65.79556	1.3
69.03470	3.4
69.19730	8.0
71.01371	1.5
87.00880	57.0
97.06592	7.7
101.11020	1.4
115.00379	1.5
121.02983	5.1
122.03744	3.0
123.04557	8.7
130.99854	9.9
132.00661	3.1
133.01393	1.9
146.03764	12.5
147.04546	9.4
148.05299	1.8
149.06042	3.8
159.04474	3.5
160.05421	2.6
161.06068	4.0
162.06883	3.1
163.07639	8.4
169.59180	1.4
172.05305	11.5
173.06041	6.0
173.09711	2.2
174.03242	7.0
174.06770	2.7
175.04039	5.2
175.07660	38.7
176.04814	4.0
176.08061	2.3
186.06898	9.2
187.07684	9.7
188.04803	6.2
189.05591	4.7
189.09224	2.2
190.06386	10.8
191.10773	7.8
199.07820	2.4
200.04810	19.2
200.08459	1.8
201.05508	2.0
201.09221	16.6
202.09628	2.1
203.07155	12.7
204.07932	5.3
210.07022	1.6
214.06361	1.8
215.07088	3.6
216.07903	2.0
217.08745	12.2
219.10280	33.3
220.10649	2.8
227.07027	1.4
227.10802	4.5
228.07912	3.3
229.08688	60.1
230.09052	4.6
243.10266	2.5
245.08188	7.8
245.11841	5.7
246.12183	1.7
247.09682	9.7
254.04332	5.2
261.11258	7.4
271.09821	4.8
273.07697	45.5
274.08075	2.0
289.10837	10.8
291.08698	4.1
315.08868	2.0
333.09671	11.1
351.10870	100.0
352.11118	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	351.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01381	5.3
69.03466	4.5
69.35693	9.3
71.01396	2.6
85.02979	3.3
87.00883	85.4
97.06602	16.0
97.88630	1.9
121.02982	8.2
122.03742	7.1
123.04546	9.8
130.99895	14.4
132.00633	4.7
146.03772	23.4
147.04549	13.8
149.06061	4.2
159.04524	6.4
160.05330	6.1
161.06065	5.7
162.06834	3.1
163.07701	5.3
172.05330	14.1
173.06049	8.8
174.03244	8.4
174.06918	5.1
175.04059	9.9
175.07652	55.8
176.04779	4.1
176.08022	5.2
185.06125	3.5
186.06914	13.3
187.07614	13.8
188.04796	8.5
188.08443	2.4
189.05621	12.3
189.09195	2.7
190.06363	16.2
191.10852	2.9
199.04102	3.1
200.04802	31.0
200.08379	4.0
201.05440	3.6
201.09248	22.5
202.09549	2.9
203.07156	19.5
204.07860	9.1
211.07637	3.1
215.07130	6.8
216.08054	2.7
217.08684	15.1
219.10269	27.8
227.10774	8.6
228.07835	3.0
229.08705	82.4
230.09045	5.2
245.08185	9.1
245.11848	10.3
247.09773	10.4
254.04260	9.9
261.11334	5.2
271.09741	6.6
273.07700	51.8
274.08026	5.4
289.10806	6.7
315.08902	3.1
333.09750	14.3
351.10867	100.0
352.11295	14.7
359.60526	1.8
372.06387	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	351.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95037	1.1
57.03451	1.6
57.99794	1.2
69.03454	4.4
69.21055	7.2
71.01412	1.2
77.31309	1.3
85.78247	1.2
87.00885	68.9
88.01169	1.4
97.06593	13.0
97.60609	1.2
100.86985	1.2
101.02467	1.9
112.02334	1.2
115.00395	3.2
121.02980	7.6
122.03767	2.8
123.04565	8.6
124.01650	2.0
125.02430	2.6
130.99889	11.4
132.00653	1.5
133.01457	1.3
146.03732	16.0
147.04544	9.6
148.05309	1.5
149.06111	4.9
159.04523	4.3
160.05296	2.3
161.02438	2.4
161.06117	4.7
162.06871	2.4
163.07655	5.5
169.01425	2.7
172.05333	9.9
173.06061	4.7
174.03262	6.9
174.06923	3.2
175.04111	6.1
175.07657	41.3
176.04810	4.2
176.08012	2.0
185.06137	2.2
186.06876	9.6
187.07625	9.5
188.04787	5.6
189.05602	6.6
189.09294	1.6
190.06374	12.9
191.07051	1.8
191.10777	3.4
199.04083	2.3
199.07677	1.6
200.04829	20.0
200.08496	2.3
201.05484	2.8
201.09254	17.6
202.09659	1.6
203.07170	15.8
204.07935	6.4
211.07610	1.9
213.05594	1.6
214.06287	3.0
215.07204	5.6
216.04384	2.2
216.07919	3.3
217.08698	16.2
219.10265	25.8
220.10672	2.1
227.10802	5.8
228.07956	4.0
229.08704	63.8
230.09061	5.0
243.10356	3.6
245.08191	8.7
245.11827	4.8
247.09761	8.1
254.04268	5.8
261.11392	4.6
271.09814	6.4
273.07706	47.2
274.08099	4.4
276.05676	4.5
289.10965	6.9
291.08917	1.3
315.08902	2.1
333.09839	15.2
334.10455	1.6
351.10873	100.0
352.11194	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	351.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94978	0.7
79.67091	0.6
87.00883	100.0
88.01225	1.7
98.21891	1.5
107.05070	1.1
116.39271	0.6
121.02948	2.2
122.03749	7.3
130.99878	57.9
132.00670	18.1
135.04501	3.6
147.04552	1.9
148.05296	2.0
156.65683	0.9
163.04106	1.1
163.07759	0.9
164.04738	0.9
192.04243	0.7
195.77258	0.7
201.09273	2.0
219.10338	1.6
254.04329	41.0
255.04692	2.6
289.10794	0.8
325.24582	0.8
331.45221	0.7
351.10904	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	351.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91673	0.9
57.74535	0.9
61.03551	1.1
61.44652	1.3
64.90979	0.8
69.06283	0.9
70.11771	1.5
70.12078	1.7
87.00883	49.9
93.03484	1.2
97.06586	5.2
107.04997	2.6
112.05291	1.2
121.02962	10.9
122.03745	8.4
130.99864	3.6
135.04512	2.4
136.05313	22.2
138.03238	1.7
146.03712	1.9
147.04504	4.9
148.05287	4.6
150.03236	3.5
161.02414	1.2
162.03246	2.8
162.06863	11.4
163.03940	1.8
163.11253	2.0
164.04773	1.5
172.05275	1.4
173.09779	2.4
175.07756	2.1
176.04800	5.0
188.08348	1.9
191.03534	2.3
191.10791	67.3
192.11122	3.1
201.09200	4.1
213.22763	1.1
217.08795	1.1
217.12308	13.9
218.09529	1.2
218.12675	1.1
219.10263	46.0
220.10640	2.6
229.08691	3.0
233.11794	5.3
243.10175	1.4
245.11865	4.5
254.04340	2.5
261.11334	12.9
262.11746	1.5
273.07831	1.9
289.10831	12.1
290.11206	1.8
291.08835	14.6
333.09897	2.8
347.00916	1.6
351.10864	100.0
352.11249	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	351.1089
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
69.50055	3.9
71.05037	1.1
83.05025	1.3
87.00884	46.3
93.03490	4.9
97.06591	13.6
98.06924	1.1
106.04274	2.2
107.05045	13.5
111.04552	2.2
112.05313	8.4
119.05040	1.3
121.02966	42.8
122.03804	9.7
123.04575	2.1
130.99889	8.1
132.00679	1.5
135.04575	2.1
136.05322	8.7
138.03233	1.0
139.04071	1.2
146.03741	2.4
147.04521	14.4
148.01596	1.2
148.05342	6.7
150.03195	1.5
161.02437	2.2
162.03207	2.9
162.06822	6.4
163.04036	6.1
163.05228	1.0
163.11331	2.1
164.04817	2.6
172.05328	1.1
173.33565	1.0
176.04767	4.4
176.71672	0.9
182.73373	0.9
187.07495	1.0
191.03502	7.7
191.10797	33.0
192.04317	1.7
192.11086	1.9
194.02193	1.5
201.09239	8.5
217.12366	6.7
218.09526	1.8
219.10269	26.2
220.10774	2.2
226.47372	1.0
227.10786	1.6
229.08736	1.8
233.11830	3.7
243.10306	1.6
245.11877	3.8
254.04359	9.5
261.11322	11.0
262.11905	1.6
273.07700	2.5
289.10815	9.6
291.08780	17.7
333.09805	1.8
351.10864	100.0
352.11295	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	351.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03455	2.8
59.01386	35.5
61.98833	3.2
71.01389	22.7
72.99318	4.7
73.02954	2.3
75.00881	20.3
83.01405	6.1
85.02959	26.0
87.00876	8.7
89.02452	8.1
95.01380	6.1
95.73960	0.9
96.96012	1.6
98.95596	2.1
99.00887	13.1
101.02465	4.1
101.06094	100.0
102.06441	2.9
103.00381	2.9
111.00906	1.0
113.02462	32.6
114.95891	1.0
115.00417	2.2
117.01987	3.6
119.03560	1.5
119.05046	1.9
129.01939	2.6
145.01480	2.1
157.01466	1.3
163.04024	2.9
169.34541	0.9
175.02507	3.2
189.11270	1.8
205.07201	2.1
231.05125	1.4
249.06071	7.8
267.07278	5.4
277.10751	1.0
291.11026	1.1
306.21024	0.9
314.12201	1.0
333.11960	2.7
351.05814	3.4
351.12979	78.9
351.16638	6.7
352.13321	5.2
352.16992	1.1
369.56863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46863	1.1
55.54689	1.0
59.01384	100.0
60.01694	1.4
60.05140	1.1
70.79206	1.7
71.01388	12.3
71.05016	1.2
73.02939	2.9
85.02966	5.5
89.02432	3.2
93.91196	1.1
101.02480	6.2
113.02460	6.5
119.03473	1.2
127.07658	6.5
133.02919	1.2
153.05626	2.4
161.04568	12.1
163.17380	1.3
171.06650	5.7
189.07697	2.7
192.95895	7.2
202.46883	1.3
292.02682	2.0
351.12912	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90548	0.6
55.01894	1.1
57.03439	2.0
58.00592	0.6
59.01385	16.9
67.02934	0.6
68.99811	1.1
69.03458	1.1
69.60269	1.0
69.60654	1.4
71.01388	12.2
72.99309	3.7
73.02954	1.3
75.00874	15.2
83.01399	0.7
85.02956	14.9
87.00882	6.9
89.02440	2.5
95.01401	5.0
99.00885	9.0
101.02472	1.3
101.06087	100.0
102.06425	2.4
111.00925	0.7
113.02454	20.7
115.00392	1.6
117.01942	2.7
124.03885	0.6
129.01939	2.1
138.31027	0.7
157.01347	0.9
168.97034	0.6
175.02487	3.1
231.05087	2.7
249.06172	16.1
250.06580	1.5
256.25616	0.6
267.07257	1.2
291.10974	1.0
323.76077	0.6
333.11880	2.7
351.12973	64.8
352.13345	5.8
363.01047	0.6
373.86581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68997	1.4
50.82785	1.4
59.81218	1.4
67.27772	1.5
68.68510	1.6
69.67861	2.9
69.68250	3.6
71.01398	12.5
73.29594	1.6
74.96188	6.6
84.45705	1.4
85.03702	1.4
98.21960	2.8
100.16817	1.5
116.21995	1.5
128.97249	3.2
137.95790	1.4
152.77017	1.6
177.09201	4.6
192.11586	9.3
192.95879	3.7
205.12477	4.5
218.09520	3.6
220.14706	57.0
221.15486	100.0
222.15834	6.6
231.17624	2.4
236.10577	82.6
237.10909	8.2
275.16562	5.0
278.10617	5.5
279.11307	3.4
293.17615	16.1
333.12433	5.7
351.13455	54.6
352.13721	5.6
370.96304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75912	0.8
51.78882	0.9
57.03464	1.2
59.01385	100.0
69.34926	1.1
70.89697	1.2
71.01387	9.9
73.02963	2.1
83.01397	3.5
84.32043	1.0
85.02966	3.5
89.02458	4.5
91.05528	1.6
99.00883	1.8
101.02451	6.6
101.69032	0.9
110.91953	1.0
113.02462	3.1
117.03468	1.6
119.03519	1.5
119.05042	3.5
125.02444	1.0
127.07587	1.2
138.05644	1.2
145.02969	3.7
146.06099	3.8
147.04546	4.6
159.03040	1.3
161.04601	5.7
163.04025	4.9
169.01570	1.0
173.02440	2.9
174.03128	1.2
175.03969	8.7
189.01892	1.5
189.11421	1.6
190.02733	2.5
191.03522	11.3
192.03911	1.1
201.01938	1.8
219.03003	22.8
220.03316	2.0
239.05699	1.3
263.02081	8.5
291.14404	5.0
307.01056	11.0
351.01306	1.3
351.11847	0.9
351.16428	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	351.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.4
57.03435	6.1
59.01386	100.0
61.98835	2.1
71.01390	89.2
73.02950	22.2
75.00880	1.8
83.01392	12.7
85.02959	36.3
87.00876	3.7
89.02455	45.6
95.01403	6.7
96.96024	2.9
98.95612	3.5
99.00890	8.6
99.57438	1.5
101.02453	74.0
102.02755	2.6
111.00891	2.5
113.02469	44.3
119.03517	22.6
125.94299	1.5
127.07660	21.6
129.01929	2.2
143.03474	4.0
149.04561	2.5
159.03009	7.3
161.04587	32.0
171.06660	13.3
179.05676	1.7
189.14977	5.5
199.22849	1.8
280.90979	1.3
351.05707	5.2
351.13535	7.4
351.16895	2.8
351.20245	53.5
352.20566	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	351.2178
Annotation	Sterebin C
Peak:m/z	Relative Intensity
55.50520	1.4
57.03455	2.5
59.01384	100.0
87.00879	4.4
88.24756	1.6
96.95995	6.6
97.06597	1.9
104.42255	1.6
107.05002	2.7
111.08115	2.3
121.03006	3.5
125.09766	2.2
147.04549	2.3
165.12839	6.7
167.14491	1.7
175.07579	2.4
177.12932	1.7
203.10582	1.6
211.13582	1.9
225.14954	22.7
226.15302	2.1
229.08734	2.2
231.10228	3.7
245.19098	2.8
246.08392	1.6
247.20741	10.6
247.70042	1.6
273.07986	1.6
273.18594	2.3
277.18027	9.8
291.19678	85.5
292.19962	6.4
292.48416	1.7
293.10065	2.0
309.20706	55.6
310.21014	3.9
315.19608	2.1
333.20721	35.6
334.21188	3.3
347.33148	1.9
351.10721	7.9
351.18182	3.4
351.21954	22.0
352.22089	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	351.218
Annotation	Sterebin C
Peak:m/z	Relative Intensity
57.03452	7.8
57.53754	3.2
57.91866	3.0
59.01387	53.7
60.90778	3.5
61.40919	3.1
70.26709	3.3
80.76621	2.9
84.92275	3.1
87.00873	3.9
87.90215	2.9
98.21870	7.4
111.08149	3.6
121.02965	5.1
138.19629	3.6
151.11264	3.9
153.09212	3.3
153.12830	6.1
167.10857	4.0
179.14409	3.6
181.12321	3.5
182.22911	3.1
192.95953	4.3
197.11894	4.6
211.13458	10.5
229.08644	3.5
231.10341	5.1
247.20763	10.9
273.18658	4.1
289.21747	7.1
291.19675	77.8
292.20071	4.3
309.20728	100.0
310.21057	9.7
315.19675	6.7
333.20737	71.0
334.21088	8.2
340.33780	3.6
351.10779	7.3
351.21747	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	352.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89135	1.7
57.03421	1.9
59.01382	14.0
61.98838	100.0
68.82223	1.9
70.59705	4.5
71.01376	5.3
75.00898	2.3
85.02966	11.7
87.00877	2.4
93.03464	2.4
99.00871	3.0
101.02454	1.7
101.06068	11.6
102.06440	4.0
108.59769	2.1
109.02976	1.7
113.02458	3.5
125.02444	2.0
135.04535	6.8
173.04558	8.1
179.03490	3.9
191.01974	3.8
191.03731	2.9
191.05672	7.0
216.00552	1.9
268.92206	1.7
317.03091	2.5
352.06503	2.4
352.13449	12.3
353.09052	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	353.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88486	0.8
59.01383	7.4
62.14495	0.8
62.50672	0.9
64.02245	0.8
66.52978	0.8
69.30037	4.7
71.01360	2.0
72.99316	9.0
74.16680	0.8
85.02950	5.9
89.02459	1.9
90.97180	2.1
93.03466	7.3
93.90073	0.8
96.96037	1.2
107.04998	4.1
107.06760	1.0
118.96613	0.9
121.02962	2.0
123.04549	1.3
130.96655	10.9
132.98206	9.6
133.02953	2.7
134.03763	1.1
135.04568	3.1
147.03012	1.6
148.97693	6.3
152.91801	3.2
160.97699	5.4
161.02435	1.4
167.00345	1.1
172.97708	20.0
179.00284	2.1
179.03485	1.7
181.01837	2.9
188.97223	2.1
190.98718	23.2
191.00307	42.0
191.01996	2.0
191.03532	2.3
191.05621	8.4
192.00574	1.9
194.92828	3.0
194.95584	5.1
206.99770	3.9
209.01395	11.3
221.01299	9.0
223.02896	3.2
226.88651	1.4
233.01318	26.5
234.01688	1.5
234.99283	7.4
235.02916	1.9
239.02408	16.3
246.99272	3.9
249.00832	11.0
251.16515	1.0
251.99464	1.8
263.02472	4.9
265.00302	1.6
267.01895	4.8
268.90311	1.3
277.00333	40.3
278.00616	2.4
280.02737	0.9
291.01822	1.8
292.99835	100.0
294.00140	6.2
310.91162	1.4
326.55206	0.8
352.91833	2.7
353.01904	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	353.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55479	1.5
55.48303	2.0
57.03455	5.6
62.69822	2.0
63.02406	5.1
65.00323	9.8
67.01916	1.9
67.63596	1.2
68.99825	3.7
69.03519	1.4
69.30450	3.6
69.30837	4.1
76.31279	1.4
81.03467	5.1
83.01388	17.2
83.05022	1.7
85.02998	1.9
91.01928	1.7
93.03493	4.5
95.01418	3.2
98.22649	2.5
107.01414	16.7
107.05042	3.9
109.02976	29.1
110.03343	2.0
111.04613	2.2
115.99802	1.5
123.04563	6.6
125.02460	26.6
131.05081	1.5
133.02922	1.6
133.06741	1.6
135.00897	2.9
135.04558	2.5
137.02461	16.2
138.74261	1.5
151.00395	55.6
151.04031	6.5
151.07599	1.6
152.01099	5.9
153.01956	47.2
154.02243	2.2
159.04510	5.2
161.02541	2.5
163.00415	7.5
165.01936	22.8
167.03531	11.5
169.01480	2.1
173.06062	2.1
175.04047	16.3
177.01976	5.4
178.99887	37.8
181.01450	36.9
182.01962	2.1
183.04617	1.7
187.04074	2.7
190.02876	1.5
193.01413	2.6
195.03026	16.6
199.04065	2.6
201.05603	4.6
203.03513	4.7
203.69412	1.6
205.05087	3.2
217.05106	3.7
219.03020	3.1
219.06544	3.2
227.03558	4.6
229.05104	3.9
230.02315	3.0
231.02914	5.4
231.05057	1.7
243.02957	1.9
245.04594	10.9
255.03029	3.3
263.05655	2.6
271.02585	2.6
273.04095	27.8
291.05157	5.9
317.03052	100.0
318.03342	9.0
335.04141	7.7
353.05023	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	353.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55974	1.3
57.03456	3.9
63.02397	5.1
65.00328	8.6
69.23846	7.8
81.03481	4.1
83.01386	15.5
93.03468	2.8
95.01392	3.3
96.99300	1.5
107.01394	14.8
107.05042	1.5
109.02961	22.0
111.00887	2.0
111.04551	2.3
112.50949	1.3
121.02966	1.6
123.04542	4.6
125.02464	23.5
127.04028	1.7
131.05049	2.3
133.06577	1.7
135.00887	4.1
135.04536	1.6
137.02455	12.1
147.04506	1.9
147.11404	1.4
151.00386	42.0
151.04050	3.6
152.01079	3.4
153.01955	38.9
153.89503	1.6
157.06638	1.4
159.04530	2.0
163.00378	5.2
165.01941	20.4
167.03522	11.3
169.01495	3.5
173.06102	2.3
175.04033	10.3
175.66722	1.4
177.01921	2.8
177.05605	2.5
178.99878	32.5
181.01448	32.8
187.04120	2.6
193.01468	2.4
195.03000	16.5
199.03879	1.6
201.05540	3.3
203.03490	4.8
205.05058	2.6
207.03210	1.6
217.05055	4.7
219.03081	2.4
219.06636	3.0
227.03503	5.4
229.05040	2.4
230.02216	2.4
231.03014	4.7
243.02943	2.5
245.04567	7.4
255.02888	3.2
263.05569	2.4
271.02493	1.6
273.04053	26.2
274.04471	2.2
291.04962	4.9
305.40558	1.4
317.03033	100.0
318.03299	6.9
335.04144	8.3
353.05112	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29519	0.9
59.01385	51.7
64.07621	0.8
70.45970	1.4
71.01398	5.9
72.91013	0.7
80.50610	0.8
85.02958	10.9
87.00887	2.5
93.03465	3.8
98.07274	0.9
109.02969	0.8
111.04520	1.5
117.05579	2.0
127.04033	1.0
133.02975	1.8
135.04553	4.8
151.00401	1.2
153.01888	1.3
161.02400	2.2
167.03137	0.7
173.04562	2.9
179.03529	3.1
191.03603	9.5
191.05623	100.0
192.04094	1.3
192.05972	3.9
237.03540	1.1
239.01480	3.2
248.98605	1.0
257.34906	0.9
261.09814	3.6
281.02509	2.5
310.99915	2.3
317.03113	2.2
353.01062	1.5
370.03351	1.0
373.90085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03434	0.6
59.01385	34.1
62.25515	0.5
69.03455	0.5
69.77078	1.9
71.01397	2.6
73.02949	0.9
73.35147	0.5
80.11537	0.6
85.02961	8.7
87.00895	1.5
93.03471	3.6
98.72265	0.6
101.02454	0.8
107.05029	0.8
109.02917	0.8
117.05595	1.3
125.02422	0.8
127.04033	2.1
133.02966	1.6
135.04579	3.9
145.74663	0.6
151.00385	0.8
161.02467	2.4
165.67944	0.6
173.04518	1.9
179.03505	2.8
191.03642	6.4
191.05629	100.0
192.06030	4.9
194.97517	0.5
222.97221	0.6
237.03601	0.7
239.01588	1.3
259.11597	0.6
261.09747	1.1
270.66055	0.6
281.02545	1.6
293.00101	0.6
310.99963	1.1
317.02893	1.2
353.00858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01707	1.7
69.93663	1.4
71.01383	6.3
73.02940	1.3
74.45953	0.7
85.02974	2.1
85.47549	0.7
93.03483	0.9
111.21676	0.8
113.02454	1.8
117.05586	3.2
125.02472	1.3
135.04543	2.1
147.33038	0.7
151.00349	0.9
173.04381	1.1
179.03531	1.3
191.01938	1.5
191.03505	13.9
191.05553	3.5
258.09424	0.9
261.09732	8.0
263.23642	0.8
309.50372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
71.43737	0.3
79.95731	0.8
82.35096	0.3
84.10044	0.3
96.96017	6.5
98.22508	0.3
105.67991	0.3
107.05000	0.5
119.34441	0.3
122.97623	0.3
128.21739	0.3
147.08212	0.3
163.11298	100.0
164.11624	5.4
169.12332	0.9
177.09219	75.8
178.09558	4.5
222.09013	0.4
289.80588	0.3
353.21222	92.0
354.21573	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	354.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	38.0
60.02657	26.5
61.39315	26.9
61.98876	31.0
67.62428	28.8
80.17086	28.6
85.02976	25.3
96.96021	46.4
104.92930	29.8
125.02409	28.2
126.12499	24.9
153.80544	30.3
164.80066	33.3
169.01418	34.5
201.05640	27.7
220.75703	26.6
288.70071	28.9
313.90909	29.2
318.03510	44.5
354.11243	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	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03453	14.0
59.01388	11.8
66.95010	0.8
69.38012	3.6
70.73456	0.8
71.01389	6.5
71.36795	0.7
72.99304	2.9
73.02938	4.3
75.00883	2.1
78.98547	0.6
81.44382	0.7
83.01409	1.6
84.02172	2.3
85.02959	100.0
85.88249	0.7
86.03297	2.2
87.00892	4.4
89.02438	2.7
94.93404	0.7
95.01397	0.8
96.04578	1.2
98.22621	1.3
99.00881	1.4
101.02449	3.9
103.00378	1.6
105.03810	7.0
111.00900	0.9
113.02471	4.6
114.02025	1.0
115.00403	1.7
115.90968	0.7
119.05035	3.5
129.01959	7.2
131.03497	2.8
133.01466	2.1
134.03787	0.7
135.04605	3.3
147.03032	6.0
149.02473	0.8
149.06090	1.5
157.01442	1.2
157.99986	0.6
163.04048	3.6
174.01744	0.9
175.02490	2.0
191.01991	18.0
191.05669	0.7
193.01457	2.0
193.05072	1.0
209.03043	26.7
210.03439	0.9
249.06148	2.5
255.05040	0.8
295.00198	1.1
304.64850	0.8
355.06689	2.2
355.10867	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
64.62112	0.4
65.00321	0.5
66.99689	0.4
67.11059	0.4
69.43034	1.4
71.01383	0.6
80.02691	5.7
82.00582	0.6
83.01382	1.3
85.02949	1.8
93.03452	0.7
94.00571	0.5
96.02152	0.6
98.22660	0.8
107.01400	3.1
108.02185	17.4
119.05047	0.6
121.02957	0.9
122.00095	0.6
125.02447	1.1
134.03772	7.7
135.04237	0.5
136.01675	36.4
137.02110	1.8
139.00374	1.5
149.02473	0.5
149.06067	1.7
151.00383	7.4
160.01686	0.5
164.01147	2.2
169.01456	1.3
178.02667	1.1
178.99934	0.5
179.03409	0.4
179.05667	0.4
189.01920	0.5
191.03557	0.8
192.00664	71.5
193.01396	18.2
193.05074	7.8
194.01712	0.6
205.01450	2.9
207.02989	1.5
209.03052	0.7
217.01358	0.5
233.00505	0.4
235.02490	1.5
259.99692	2.5
278.00751	2.4
329.06723	0.4
355.06726	100.0
356.07108	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	355.0829
Annotation	(R)-Sulindac
Peak:m/z	Relative Intensity
57.69250	2.1
57.93757	2.2
61.62680	2.2
69.11572	2.2
70.63741	4.5
78.02255	2.3
79.20854	2.7
98.21945	2.6
119.05039	17.7
121.02971	100.0
122.03340	3.6
162.03244	2.8
163.04022	13.5
181.06674	3.5
211.73184	2.1
311.09308	94.3
312.09561	12.1
329.20407	2.4
355.08319	39.0
356.08545	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66437	1.0
57.03443	1.6
58.70328	1.1
59.01379	7.0
59.97540	1.3
67.09382	1.1
69.36817	4.2
69.37221	2.2
71.01383	12.8
73.02945	4.9
76.43499	1.2
83.01383	2.3
85.02957	11.4
89.02382	1.2
95.01323	1.1
96.04048	1.1
96.79521	1.2
98.22659	2.4
99.00871	1.8
101.02467	6.1
101.70222	1.3
106.04266	11.6
108.02164	2.1
109.02969	1.4
113.02456	5.0
119.05067	1.3
121.02950	2.3
123.04533	3.3
125.02477	2.7
133.03015	2.7
134.03754	100.0
135.04131	2.8
136.01686	2.1
137.02435	6.8
139.04024	1.4
147.04350	1.2
149.02451	4.2
149.06099	51.0
150.06528	1.8
151.04044	4.0
153.05542	1.2
161.04611	2.1
164.01195	12.1
165.01967	8.6
169.01500	4.0
174.01735	3.4
177.05579	2.5
178.02750	12.1
190.90140	1.3
191.01952	1.6
191.03433	2.7
192.00658	55.2
193.01431	95.0
193.05084	84.4
194.01810	5.4
194.05452	3.8
209.03070	1.6
239.05603	5.2
355.06714	47.8
355.10397	4.3
356.07022	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	355.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03455	5.6
58.99597	2.9
59.01383	13.1
66.04523	0.8
69.18351	2.7
69.18775	3.2
71.01389	18.7
72.99309	1.5
73.02950	6.0
75.00862	1.8
83.01394	3.3
85.02957	54.3
86.03295	1.4
86.46655	1.1
87.00883	35.9
88.43443	0.8
89.02450	2.7
95.01398	1.9
97.03004	1.0
99.00875	1.7
101.02446	9.5
103.02236	3.5
105.00150	0.9
105.03807	100.0
106.04146	1.3
113.02473	7.0
119.05048	2.7
125.02470	2.2
129.01970	2.0
134.03743	2.4
135.04538	1.0
145.02986	0.9
147.03003	3.8
149.06071	1.0
159.13612	0.9
161.04575	8.8
162.47754	1.1
163.04022	3.2
164.01144	1.2
169.01422	1.7
175.04193	5.4
191.02007	9.7
192.00670	2.4
193.01442	3.0
193.05196	4.0
209.03006	14.6
249.06192	30.5
250.06566	1.9
259.99799	1.8
261.00415	0.9
278.00711	1.1
355.06894	3.9
355.10696	50.3
356.10843	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	355.1191
Annotation	Cudraflavanone B
Peak:m/z	Relative Intensity
50.34045	0.9
53.44228	0.8
60.44155	0.9
69.51370	1.2
69.51711	3.4
82.84765	1.1
108.02158	1.4
119.05055	5.8
131.05037	1.6
147.04539	12.1
148.05254	1.7
148.85764	1.0
150.03262	2.6
162.03168	1.4
164.04791	1.3
165.05734	1.0
175.04022	96.7
176.04797	53.0
177.05273	2.8
189.05612	7.3
189.27103	1.0
190.06372	38.0
191.06958	2.1
203.03438	0.9
204.04308	19.4
208.03763	10.0
216.04027	1.4
217.05061	12.7
218.05881	15.3
219.06636	45.1
220.06985	2.9
221.06000	0.9
222.05353	17.5
223.05640	1.4
231.06624	2.7
235.07646	1.1
250.06415	1.4
251.06992	2.8
263.07236	1.0
267.06628	4.4
268.07465	1.8
278.05576	1.1
279.06656	7.5
281.08096	1.2
291.06616	2.1
294.08972	2.0
295.06152	9.9
296.06897	13.1
297.07584	1.8
300.50336	1.0
305.08453	1.0
306.08728	2.0
307.06152	8.8
308.06442	1.2
310.08557	6.0
311.09222	15.8
312.09833	1.7
322.08417	7.8
325.07233	1.6
325.10739	8.1
327.12390	3.5
336.72757	1.0
337.10904	5.0
340.09488	2.5
348.91769	1.0
355.11893	100.0
356.12280	12.9
379.63193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
62.08226	0.7
62.56700	0.7
69.48521	3.6
84.21709	0.8
85.09461	0.7
98.21932	1.5
107.05080	1.4
109.90007	0.9
111.00974	1.0
122.03756	8.8
135.04538	24.0
136.04794	1.0
147.08220	3.3
148.60089	0.8
149.06107	2.1
149.09743	6.4
149.30637	0.9
151.07704	0.9
161.09731	6.6
163.07669	3.5
163.11304	44.9
164.08438	14.8
164.11728	2.3
165.09186	2.8
177.07634	2.0
177.09224	59.3
178.09995	18.3
179.10793	100.0
180.11150	5.9
183.10211	1.2
186.38155	0.9
187.11282	1.3
191.10782	11.6
192.11095	1.1
193.08719	2.4
237.87325	1.0
265.12305	1.1
279.13986	1.0
279.53662	0.8
280.14713	2.6
298.15759	43.6
299.16055	4.2
307.17169	1.7
313.21817	0.9
321.18784	0.9
322.19260	1.1
337.21771	41.5
338.22079	6.4
340.14435	1.2
340.20450	68.8
341.20822	10.4
355.22821	89.1
356.23138	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	356.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51951	10.6
61.98833	100.0
65.54708	11.0
69.36415	11.0
69.85475	24.8
69.85835	21.0
71.64585	11.8
79.17606	11.4
115.58103	11.1
157.51933	10.4
180.41579	11.8
311.22461	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	357.0618
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.12501	0.3
59.01390	0.5
62.93664	0.3
69.20551	1.9
78.63623	0.3
82.68804	0.3
98.22611	0.8
121.02974	100.0
122.03325	4.1
133.17986	0.3
136.01727	1.0
136.07683	0.5
145.10812	0.3
151.04065	1.3
156.26083	0.3
157.59048	0.3
165.01979	1.1
180.05855	1.3
181.06602	7.1
182.06975	0.4
186.97545	0.3
203.29327	0.3
209.55774	0.3
225.05586	6.8
225.07762	0.5
313.07230	8.2
314.07672	1.0
325.12140	0.4
357.06189	32.7
357.26477	1.4
358.06461	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	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.03361	1.1
55.01882	2.6
57.03447	2.4
57.91222	1.3
59.01385	34.0
61.86922	1.2
71.01383	22.2
71.42573	1.2
72.99298	4.0
73.02958	7.9
75.00877	85.1
83.01402	3.2
85.02951	14.9
87.00904	2.3
89.02450	8.5
90.04692	1.1
91.05553	4.1
95.01383	1.7
99.00873	2.2
101.02448	15.0
107.01402	1.4
109.02962	2.8
113.02467	9.2
117.01930	1.6
118.98081	2.1
119.03470	3.5
119.04991	2.4
123.00843	1.6
123.04523	2.4
124.01665	2.0
125.02473	9.3
131.03510	4.7
131.05081	4.6
131.45715	1.3
133.06618	4.2
135.04498	1.8
137.02464	2.0
145.02939	2.0
149.02388	1.7
151.04025	8.2
153.01971	1.7
161.04561	3.1
162.03241	21.5
163.03975	2.8
169.01443	10.4
177.05571	13.2
179.03514	5.8
180.04297	56.2
181.04640	3.0
185.56329	1.0
188.01085	1.2
195.06639	100.0
196.06956	4.7
221.06702	14.0
237.06165	40.1
238.06564	1.5
239.07701	5.3
259.99646	4.1
313.05865	3.5
340.14975	1.2
357.04819	4.6
357.11926	79.6
358.12390	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	357.1193
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
52.81404	0.8
58.36025	0.8
59.01381	1.4
61.73307	0.9
69.35855	4.0
71.01409	0.9
72.97545	2.0
78.69923	0.7
95.05046	1.5
109.03004	1.4
110.80219	0.8
122.03759	1.0
123.04537	69.5
124.01688	1.1
124.04874	2.8
125.02475	1.0
133.03056	0.9
135.04544	2.4
137.02469	3.5
150.03265	5.3
151.04010	19.4
153.05592	68.9
154.05936	2.2
161.02425	0.9
162.03246	26.7
163.04034	4.7
177.05595	5.8
179.03502	4.9
180.04300	70.7
181.04657	3.9
194.02312	1.3
195.06642	100.0
196.06979	6.2
200.04201	0.8
233.55614	0.9
259.99591	0.9
357.08252	5.5
357.12006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
50.90573	1.2
57.78606	1.2
59.01383	43.9
69.68536	4.1
71.01390	23.1
83.01404	1.9
85.02957	5.0
89.02449	21.2
93.62032	1.1
95.01415	2.7
98.21850	1.1
101.02441	14.0
108.02150	1.3
109.02998	1.5
113.02472	7.8
116.07205	2.4
119.03510	9.5
121.86814	1.4
122.26570	1.0
123.04522	2.5
125.02409	1.6
130.08759	2.1
134.03758	1.9
135.04520	2.1
136.01784	1.1
136.05316	3.0
137.02451	2.0
137.59857	1.1
145.02890	1.3
151.04004	2.5
158.82593	1.1
161.02385	2.0
162.03246	69.8
163.03725	4.8
167.03328	1.1
169.01337	2.2
177.05588	100.0
178.05997	6.1
180.04346	1.5
185.16577	1.6
195.06644	14.6
222.88213	1.3
357.07693	4.9
357.11877	1.4
357.21436	4.1
358.20020	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	357.1195
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
58.00599	5.0
59.01380	2.3
71.01402	4.5
73.02966	1.3
85.02987	2.6
87.00872	5.3
87.23042	1.1
99.00906	1.2
101.02486	2.3
108.02203	1.4
111.00893	1.4
112.04025	1.1
113.02477	1.6
117.03504	2.2
121.02963	9.7
122.03777	7.3
133.02957	2.0
135.04494	1.3
136.01756	1.0
145.02971	8.1
146.03796	2.2
147.04581	2.4
149.02463	52.4
150.03249	52.5
151.03629	1.9
160.04373	1.0
161.02481	5.7
161.04576	3.5
162.03261	10.9
163.03999	1.8
164.01114	1.2
164.04828	20.4
165.01930	3.1
165.05592	100.0
166.05939	6.3
177.05595	4.6
179.03563	6.7
180.04311	21.2
194.05876	1.7
195.06650	64.5
196.07002	3.2
251.88506	1.0
327.10794	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	357.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28603	0.2
68.99862	0.2
69.03448	0.5
69.08691	0.8
69.09105	0.6
84.02189	0.3
85.02949	0.3
92.02691	0.6
93.03458	1.6
98.22616	0.4
107.01442	0.2
108.02187	2.0
109.02983	1.0
116.34214	0.2
121.02968	8.5
122.03049	0.2
122.03782	4.0
123.00892	0.3
123.04509	0.6
124.01655	0.6
125.02457	0.8
134.03752	1.0
136.01680	78.5
137.02261	2.6
145.06610	0.2
149.06116	0.3
150.03230	0.3
151.04030	100.0
152.04376	4.4
159.04562	0.9
160.05309	1.3
161.02466	0.6
161.06032	0.3
161.42804	0.2
162.03246	1.7
163.04074	1.2
169.01453	0.8
173.06093	0.2
175.04037	0.8
175.07663	1.5
176.04840	0.5
177.05562	0.9
179.03526	0.5
185.08995	0.2
187.04039	0.6
188.04826	0.2
189.05592	0.7
190.06367	0.3
191.65344	0.2
193.05263	0.2
203.07243	0.4
205.05193	0.2
241.03397	0.3
256.07526	0.2
259.99762	0.2
296.10495	0.2
311.12723	1.2
342.11151	4.1
343.11664	0.2
357.13464	17.4
358.13803	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	357.1346
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.32328	0.2
51.50974	0.2
59.01377	0.6
60.74874	0.2
63.08650	0.1
69.03469	0.3
71.01364	0.3
71.43823	0.2
84.02161	0.3
85.02959	0.4
91.03678	0.2
92.02667	0.6
93.03461	1.4
95.01447	0.3
108.02185	2.0
108.08218	0.4
109.02956	0.6
109.43878	0.2
116.89111	0.2
121.02966	8.1
122.03767	3.9
123.00874	0.3
123.04614	0.2
124.01641	0.2
125.58939	0.2
131.04895	0.2
132.02156	0.3
134.03773	1.0
135.04530	0.3
136.01671	75.3
137.02141	2.5
138.03032	0.2
142.16957	0.2
145.06656	0.2
147.04459	0.4
151.04018	100.0
152.04364	4.3
152.07224	0.3
154.02690	0.2
159.04533	0.6
160.01682	1.2
160.05304	1.6
161.02452	1.0
161.06102	0.2
162.03227	1.4
163.00435	0.2
163.04041	1.1
175.04033	0.7
175.07640	1.3
176.01134	0.9
176.04807	0.4
177.05588	0.7
179.03455	0.3
187.04105	0.4
188.01216	0.8
188.04779	0.3
189.01981	0.3
189.05611	0.8
190.06302	0.3
193.05128	0.2
196.06252	0.2
203.07193	0.4
227.03455	0.2
232.00148	0.2
241.05194	0.2
256.07614	0.4
258.01678	0.5
259.99637	5.5
267.06659	0.2
296.10504	0.2
311.12939	0.9
327.08841	0.6
342.11084	4.8
343.11380	0.7
357.13452	19.5
358.06909	0.6
358.13712	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66313	1.7
59.01384	100.0
69.17719	8.2
71.01389	9.8
72.75055	1.9
73.02956	3.6
75.05141	1.9
85.02938	6.5
101.02451	3.0
113.02463	4.6
126.57649	1.7
161.04608	2.6
169.01379	1.8
169.32535	2.1
189.88989	1.9
209.04305	1.9
209.11780	2.6
232.96570	2.1
347.65851	2.4
357.22763	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	358.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53921	1.4
59.01383	4.0
69.03458	2.5
69.31364	5.9
71.01384	2.8
78.11663	1.2
79.49323	1.2
82.11440	1.3
89.81934	1.4
95.01416	2.3
96.86678	1.2
107.01400	2.7
111.00881	4.2
119.05030	2.5
121.95315	1.3
123.00874	7.2
124.01673	17.3
124.50061	1.3
125.02467	34.1
132.11545	1.2
136.98781	1.6
139.00383	4.6
140.01166	5.7
151.00346	2.2
163.04088	1.9
168.00668	6.6
169.01443	39.7
173.02382	1.3
185.35059	1.4
211.02580	3.6
230.99409	1.6
231.48894	1.4
240.02773	5.9
245.00992	6.7
285.97241	1.4
286.07684	1.3
314.07657	2.0
315.08682	3.0
315.98682	1.6
323.09485	2.4
358.06412	7.0
358.11530	4.2
358.23013	2.0
358.61902	5.5
358.65875	1.6
359.12436	100.0
359.28043	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	84.3
60.01710	0.9
62.57637	0.5
68.39176	0.4
126.51329	0.5
132.98222	1.5
137.67746	0.6
157.03577	2.3
159.01520	1.0
168.77072	0.5
174.97673	0.8
174.99268	22.4
201.02573	26.1
202.02766	3.2
217.00319	100.0
218.00674	4.1
271.67319	0.5
274.99582	2.0
275.99783	0.7
306.88159	0.5
317.00595	3.3
318.00711	0.7
336.79483	0.5
359.01666	8.1
360.02002	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	91.8
60.01717	0.6
69.43417	2.3
70.64825	0.5
71.01385	3.8
72.99323	0.6
73.02972	0.5
74.02520	0.5
79.76386	0.5
82.02982	0.5
85.01457	0.8
85.02952	1.4
87.00862	0.5
89.02483	1.5
95.01403	2.2
96.00941	0.8
96.41091	0.5
98.02508	0.7
98.21891	1.0
98.99390	1.4
101.00981	1.1
101.02482	0.8
102.98925	0.8
103.74673	0.5
107.05045	0.6
109.02975	1.0
110.26238	0.6
117.00476	3.8
121.02979	1.0
123.00896	22.6
124.01190	0.8
125.00967	1.3
126.98891	0.8
128.03561	1.6
130.08755	12.7
132.98210	1.8
134.03809	0.6
135.04564	1.4
136.46420	0.5
137.02455	3.5
138.03241	24.5
140.01183	1.8
141.00455	8.9
142.00539	1.1
143.30287	0.5
153.00444	0.7
153.01996	0.8
153.05588	9.6
155.02219	0.8
155.03535	1.9
157.03577	1.4
159.01544	0.9
159.03021	0.5
166.99867	6.8
167.02022	0.7
168.99915	0.7
171.01518	0.8
174.99255	24.5
181.01477	0.8
182.02219	19.3
191.05659	3.4
195.01538	1.4
197.04565	53.1
198.04933	2.6
200.05127	0.5
201.00827	1.4
201.02550	24.9
202.02713	1.9
217.00313	100.0
218.00681	3.0
239.05701	1.1
243.09880	2.1
259.38147	0.5
261.04706	1.1
274.06281	0.8
323.08792	2.1
332.98291	0.7
341.09808	0.7
359.01614	2.7
359.08475	7.8
359.15176	7.2
360.08563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50303	1.5
59.01384	3.8
69.98292	3.7
69.98679	3.3
70.07588	1.6
126.88084	1.6
143.91057	1.7
172.39905	2.0
174.03410	1.7
185.99493	1.8
201.02531	2.2
210.55035	1.6
213.99030	1.8
217.00294	3.3
285.97607	33.6
301.00024	10.9
313.97073	68.3
314.97409	6.8
328.99420	95.1
329.99750	8.4
344.01770	100.0
345.02029	11.4
358.99936	2.6
359.04135	43.6
359.28036	12.9
360.04459	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	359.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73874	0.4
58.00594	6.9
58.35253	0.4
59.01388	4.3
70.26916	0.9
71.01389	1.5
85.02948	0.7
87.00892	1.5
89.02457	0.6
93.03468	13.8
95.01415	0.4
98.22613	0.4
103.00376	2.2
106.04264	0.6
107.05041	12.9
108.02248	0.6
108.05373	0.5
112.98830	3.2
117.03499	0.5
118.39366	0.4
119.05009	4.4
121.02970	18.4
122.03326	0.6
124.01641	0.6
131.05038	2.2
133.03014	0.7
135.04558	2.1
137.06079	0.8
147.03618	0.5
147.04570	4.2
149.04895	0.7
149.06097	12.2
163.04018	1.4
165.05583	100.0
166.05942	5.4
175.03966	2.4
179.07166	0.6
179.10669	0.5
180.07915	1.0
187.47514	0.5
193.05077	16.8
194.05368	1.3
208.07497	0.6
209.04582	1.5
213.18263	0.5
219.03047	1.0
223.09738	1.9
237.04033	5.4
238.04596	0.5
327.01450	0.8
359.07962	0.7
359.12283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.62562	0.5
59.01382	6.5
59.02626	0.4
62.85809	0.4
65.73579	0.4
69.91540	1.4
71.01373	1.9
72.01734	0.5
72.99306	2.6
81.06877	0.4
85.02949	0.9
94.89658	0.4
95.01402	3.2
101.02461	0.7
108.02174	1.2
109.02950	1.5
113.02440	0.8
118.77321	0.5
121.02990	0.6
123.00897	41.5
123.04533	2.8
124.01196	0.7
130.30936	0.4
131.02060	0.5
132.98254	0.5
133.01489	0.6
134.03748	0.4
135.04539	29.6
136.04860	0.8
137.02455	1.7
137.06064	0.6
138.03241	48.9
139.03609	1.7
140.01149	4.6
152.01126	0.6
153.01970	0.9
153.05591	20.2
154.05948	1.0
155.03496	4.5
156.99954	2.8
158.99747	0.5
166.99872	11.8
169.01445	0.7
174.99329	1.4
175.02704	0.5
179.03470	2.3
182.02225	36.4
183.02536	2.3
197.04559	100.0
198.04906	5.3
199.00948	0.7
201.00856	0.7
201.02606	1.0
209.39931	0.4
214.98813	0.5
217.00308	4.0
237.32567	0.5
239.05563	1.4
271.09811	0.6
272.52692	0.5
273.04630	0.6
285.06165	1.9
290.97198	0.5
297.09830	1.0
332.98199	1.3
359.09863	5.6
360.10211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.9
69.38879	1.9
69.39279	1.0
71.01371	0.7
79.70946	0.5
85.02930	0.6
95.01398	3.3
98.21839	0.8
101.02395	0.6
123.00898	49.1
124.01192	1.0
137.02446	1.2
138.03244	59.3
139.03577	1.9
153.00990	0.5
153.05597	20.9
154.05905	0.9
166.99863	12.3
168.00302	0.5
171.29601	0.6
182.02232	42.7
183.02579	1.8
185.72749	0.6
197.04565	100.0
198.04898	5.4
239.05542	1.2
285.58710	0.5
359.09961	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	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01389	0.9
69.48269	2.3
71.01404	0.6
83.01373	0.6
95.01410	3.1
96.55211	0.4
98.22581	1.0
100.86229	0.5
103.08112	0.7
123.00900	42.9
124.01192	0.9
137.02460	1.0
138.03247	51.2
139.03584	1.4
140.02258	0.5
153.05592	19.6
154.05963	0.5
166.99878	12.3
182.02235	40.2
183.02577	2.2
197.04568	100.0
198.04921	5.4
239.05721	1.1
285.07532	0.5
357.62076	0.5
359.09674	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.81680	1.1
58.00603	1.9
59.01385	100.0
60.01727	1.1
60.36708	0.9
69.34135	5.4
71.01389	40.1
73.02956	2.0
83.01401	3.2
85.02974	10.6
87.84570	1.1
89.02460	32.4
95.01395	4.8
99.00838	1.0
101.02456	21.6
113.02454	17.0
119.03519	11.3
121.02958	7.9
123.00903	4.7
137.02458	5.9
138.03249	5.2
139.04071	1.6
143.03519	1.2
153.05626	10.8
163.22269	1.0
165.01909	2.2
166.02744	1.6
166.99883	2.9
173.95644	1.1
175.09689	1.0
179.05713	1.2
180.04358	2.0
181.01408	5.1
181.05099	1.7
182.02219	8.8
183.02957	1.5
195.06728	1.1
196.03799	6.5
197.04572	61.1
197.08360	3.0
198.04892	3.4
211.06128	11.7
224.01349	1.4
224.03395	4.3
225.03938	1.6
239.05630	38.2
239.22406	1.0
240.06081	2.7
269.06671	3.5
299.07770	6.9
344.07422	2.9
359.09882	88.8
360.10400	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56641	1.0
52.74452	1.0
57.03440	1.4
57.75227	1.0
59.01385	27.3
60.10114	1.1
61.07701	1.1
69.35342	5.7
71.01393	10.9
73.02925	1.1
75.27335	1.0
79.63872	1.2
85.02950	4.6
89.02448	8.9
97.02950	1.9
101.02442	5.4
107.08649	1.9
109.06573	1.5
111.04517	2.4
112.86687	1.0
113.02454	6.0
119.03484	3.4
124.01658	1.4
125.02430	1.8
133.10231	3.9
135.08217	5.7
140.15282	1.2
147.69284	1.2
149.02507	2.0
150.89278	1.3
153.09236	100.0
154.09564	4.5
167.10767	1.5
169.01366	1.7
179.07176	1.5
185.82500	1.2
195.10225	1.2
197.08206	80.0
198.08549	4.8
235.52866	1.1
239.09123	1.5
265.47049	1.2
324.16327	2.0
359.14319	2.1
360.09418	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71713	0.6
59.01382	9.0
71.01387	3.9
71.42800	0.6
73.02950	0.8
83.01408	0.5
85.02946	0.8
89.02438	1.9
90.04272	0.4
97.06592	0.5
98.04372	0.5
101.02440	1.8
108.02176	3.2
109.02943	1.4
113.02441	1.6
115.00375	1.9
116.87649	0.5
119.03534	0.7
119.05013	1.9
121.02937	0.8
123.04517	0.6
125.02430	1.4
131.48851	0.5
133.01427	6.9
133.02951	0.7
135.04503	3.4
137.02449	13.9
137.06061	1.0
138.01979	39.0
145.02922	0.7
149.06181	2.5
151.03987	4.0
152.04747	0.7
152.07193	0.6
152.30017	0.5
156.05539	0.5
161.02473	1.0
161.04492	0.6
161.06099	0.6
163.03998	2.2
173.02469	0.6
179.03612	0.8
182.05846	94.4
183.06184	4.8
189.01930	0.6
191.03540	0.7
195.06586	0.8
197.08203	100.0
198.08557	5.6
211.06061	0.5
217.01556	0.7
218.02161	0.7
261.00284	0.6
271.09781	2.3
308.45804	0.5
315.08975	1.3
341.06848	0.7
359.07849	2.2
359.13507	3.3
360.09503	0.5
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	Semperoside
Peak:m/z	Relative Intensity
53.55130	1.2
59.01385	32.1
61.13498	1.2
71.01393	10.6
80.43414	1.6
85.02965	5.8
89.02438	10.5
89.47900	1.1
101.02467	6.4
105.97760	1.3
107.08710	1.9
111.04552	2.0
113.02464	7.7
119.03480	3.0
121.08827	1.2
125.02460	2.2
133.10269	3.1
135.08185	4.9
149.02492	1.6
153.09232	100.0
154.09572	4.2
167.67688	1.4
167.84445	1.3
169.01422	1.7
179.07155	1.5
195.10315	1.4
197.08211	86.1
198.08539	4.4
239.09082	1.4
283.56631	1.4
359.07922	1.4
359.14465	2.3
360.09677	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
55.08681	1.2
59.01385	100.0
64.11478	1.0
64.63930	1.1
69.21288	3.8
69.21695	3.7
71.01387	53.6
73.02967	3.1
76.19405	1.1
82.74879	1.1
83.01380	3.0
85.02956	12.7
87.00887	4.7
89.02458	37.9
89.49026	1.1
93.78521	1.1
95.01392	2.6
96.96028	3.3
98.21923	3.1
100.84435	1.2
101.02450	28.3
107.05035	2.0
109.02966	1.5
113.02455	16.3
119.03493	13.1
121.02949	5.3
121.06635	2.0
122.03738	3.0
123.00894	3.4
137.02480	4.2
137.06079	1.8
138.03244	4.5
139.00356	2.4
139.07686	1.7
149.06113	3.1
153.05620	9.4
159.04562	1.3
161.04512	1.4
165.02002	1.5
165.05585	2.0
166.99873	1.4
176.08012	1.4
177.05585	3.8
179.03510	6.7
179.05656	1.7
179.07127	1.7
180.04239	2.1
181.01425	4.9
182.02267	7.9
182.05870	4.6
183.03038	2.0
195.06636	2.0
196.03819	2.8
197.04565	46.8
197.08197	13.3
198.04944	2.9
203.45958	1.1
207.06627	1.3
211.06100	7.1
224.03308	3.2
239.05624	46.7
240.05931	3.3
261.66193	1.2
269.06699	2.5
299.07819	5.1
320.94482	1.1
327.10916	24.4
328.11111	2.5
344.07663	1.7
359.09824	66.6
359.13583	6.8
360.10181	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
55.08681	1.2
59.01385	100.0
64.11478	1.0
64.63930	1.1
69.21288	3.8
69.21695	3.7
71.01387	53.6
73.02967	3.1
76.19405	1.1
82.74879	1.1
83.01380	3.0
85.02956	12.7
87.00887	4.7
89.02458	37.9
89.49026	1.1
93.78521	1.1
95.01392	2.6
96.96028	3.3
98.21923	3.1
100.84435	1.2
101.02450	28.3
107.05035	2.0
109.02966	1.5
113.02455	16.3
119.03493	13.1
121.02949	5.3
121.06635	2.0
122.03738	3.0
123.00894	3.4
137.02480	4.2
137.06079	1.8
138.03244	4.5
139.00356	2.4
139.07686	1.7
149.06113	3.1
153.05620	9.4
159.04562	1.3
161.04512	1.4
165.02002	1.5
165.05585	2.0
166.99873	1.4
176.08012	1.4
177.05585	3.8
179.03510	6.7
179.05656	1.7
179.07127	1.7
180.04239	2.1
181.01425	4.9
182.02267	7.9
182.05870	4.6
183.03038	2.0
195.06636	2.0
196.03819	2.8
197.04565	46.8
197.08197	13.3
198.04944	2.9
203.45958	1.1
207.06627	1.3
211.06100	7.1
224.03308	3.2
239.05624	46.7
240.05931	3.3
261.66193	1.2
269.06699	2.5
299.07819	5.1
320.94482	1.1
327.10916	24.4
328.11111	2.5
344.07663	1.7
359.09824	66.6
359.13583	6.8
360.10181	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
72.14030	0.4
90.45966	0.4
95.05041	0.7
98.21870	0.7
105.07156	0.7
107.05013	2.1
108.02171	2.6
113.55219	0.4
121.02984	1.5
121.06606	3.0
122.03750	1.7
123.04520	3.9
134.03778	0.9
135.04539	34.5
136.04936	1.6
137.02417	0.6
149.02469	1.2
149.06087	11.0
150.03232	8.5
150.06534	0.5
151.04027	0.7
163.04019	1.8
164.04784	1.4
165.05598	4.4
166.06415	1.0
172.51804	0.4
179.07150	26.5
180.07932	72.0
181.08282	3.3
182.05734	2.2
192.07950	0.7
193.08595	0.4
194.05867	3.7
194.09486	5.6
195.10269	7.4
196.10515	0.4
207.06467	0.7
208.07413	16.1
208.69336	0.4
209.07738	1.2
212.06920	4.3
222.08955	1.6
223.09766	100.0
224.10083	5.9
226.08458	5.1
226.76039	0.4
235.09766	1.8
269.08118	1.7
283.09729	0.7
295.09778	0.6
299.09219	0.7
300.10019	2.2
311.09265	1.8
315.12262	1.7
316.13248	2.1
326.11679	2.5
329.13971	0.9
331.15393	3.9
341.13580	1.3
359.14966	8.8
360.15332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84448	0.8
56.03522	0.8
57.03442	1.3
59.01384	100.0
59.44267	0.9
60.01723	1.1
69.52110	0.8
70.41372	2.4
71.01388	53.6
72.01727	1.1
72.99319	2.0
73.02957	2.1
83.01398	2.1
85.02956	9.5
85.77135	0.8
87.00883	1.6
89.02451	58.1
90.02783	1.0
95.01405	4.8
101.02446	27.6
111.00888	1.2
113.02457	22.6
119.03518	24.8
120.62868	0.9
121.02958	2.2
123.04551	1.1
125.02437	2.7
131.03506	2.2
135.04532	11.3
143.03502	2.2
148.04031	1.6
149.04605	1.7
149.06108	2.7
150.03220	4.0
153.58511	1.0
161.04579	1.5
165.05576	4.9
169.01393	1.7
174.63623	0.9
179.05582	2.3
179.07147	7.2
179.10779	28.5
180.07941	21.6
180.11156	2.0
194.09492	1.7
195.10236	2.6
208.07416	5.1
212.06761	1.1
217.00104	1.3
223.09761	29.9
224.10098	3.9
226.08333	1.0
311.09018	1.0
315.04669	1.0
326.11597	1.4
327.01355	4.2
328.99371	1.3
331.15289	1.1
359.07883	1.9
359.11563	1.5
359.15472	1.7
359.20926	1.1
360.07642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14645	1.0
59.01382	26.0
76.39744	0.9
98.21795	2.1
195.16843	1.0
277.21762	100.0
278.22073	11.1
359.22067	15.0
359.26089	2.4
360.22403	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	360.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01384	9.3
63.14735	0.5
67.58267	0.4
68.21034	0.4
69.71474	1.7
71.01394	2.6
72.73729	0.5
72.99313	0.9
82.58479	0.4
89.02454	1.3
98.21922	0.9
99.00900	2.1
101.02448	1.9
108.02187	7.1
113.02470	1.0
117.01902	0.7
119.03507	0.6
119.08652	0.8
132.96509	0.5
133.01411	0.6
135.04541	4.1
138.01985	100.0
139.02338	2.9
145.00374	0.8
145.01451	10.5
151.02859	0.7
154.05115	0.8
156.29225	0.5
163.04050	0.5
179.03535	2.6
181.08717	1.5
199.09784	1.9
342.09668	0.6
360.17288	0.7
361.11014	0.8
361.15091	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	361.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93827	0.6
55.01875	2.1
57.03450	2.4
59.01378	6.3
70.01103	1.4
70.01452	1.7
71.01383	5.9
72.99312	2.5
73.02954	1.1
81.03461	0.9
83.01388	2.1
85.02962	2.8
87.52988	0.7
89.02452	2.7
91.05470	0.8
96.96001	0.7
99.00887	28.0
99.04517	1.8
101.02442	6.2
105.68510	0.7
107.05070	1.2
108.46925	0.6
113.02468	2.2
117.01949	8.9
119.03500	2.1
119.05048	2.7
120.99615	0.9
124.01666	1.6
125.02472	1.4
133.02963	1.0
134.03772	1.0
135.04541	50.8
136.04858	1.8
145.01445	100.0
146.01797	2.8
153.05598	1.0
161.04532	1.7
163.02541	1.5
169.01427	1.9
179.03525	28.1
180.03880	2.2
189.01962	1.0
199.09868	0.7
199.13460	0.7
256.95993	0.7
271.10095	1.0
307.04541	1.7
325.05685	5.1
329.12601	0.9
343.08228	0.9
361.05283	1.2
361.15079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03440	2.4
59.01383	13.8
61.68142	0.6
64.01920	1.6
65.99843	2.5
68.99825	0.8
69.30399	0.6
69.54893	2.6
71.01382	11.2
72.99310	3.3
73.02933	1.3
80.01436	3.3
81.03448	0.8
83.01390	1.8
85.02943	2.6
87.00860	1.0
89.02431	3.6
97.58136	0.7
99.00889	15.9
101.02445	6.3
107.05044	1.0
111.00883	1.9
113.02460	2.6
117.01957	6.3
118.58813	0.7
119.05031	1.5
123.08186	1.3
124.00410	1.1
135.04539	30.3
136.04860	1.1
138.05602	1.1
139.00391	5.9
139.07545	1.0
141.09259	2.0
142.01486	1.1
145.01442	59.4
146.01776	1.8
150.63335	0.7
153.20822	0.8
154.00212	1.8
163.02467	1.1
169.00180	3.7
179.03505	12.6
181.08730	2.1
181.99716	12.8
183.00108	0.9
197.99203	47.4
198.99988	100.0
200.00322	4.4
248.71538	0.7
285.13324	1.0
301.11319	0.8
307.04431	0.8
325.05618	3.3
329.12488	8.7
361.05270	84.3
361.14807	11.1
362.05750	6.1
362.15155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54638	1.0
59.01387	100.0
59.21286	1.0
60.01717	1.5
61.26531	1.1
67.20857	0.9
71.01394	3.3
82.87956	1.0
87.00873	1.2
93.03487	1.4
99.61079	1.1
101.02446	2.0
103.06284	1.2
117.03418	1.3
123.00851	1.3
123.67029	1.2
138.03207	2.0
140.07227	1.5
149.02412	1.2
160.73375	1.1
161.02431	2.4
169.01466	1.4
173.02509	1.5
191.03546	1.4
197.04631	1.2
211.07703	2.1
214.99979	1.2
229.08722	2.6
237.09279	1.4
243.06607	1.3
247.02562	2.3
268.62650	1.3
293.48630	1.2
301.00027	3.2
343.08282	1.7
361.02133	3.1
361.09360	4.1
361.15018	2.0
362.02811	1.7
379.08862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89488	2.6
59.01387	57.0
61.98830	4.9
68.53934	2.7
68.80989	2.4
70.65967	4.0
71.01401	15.8
73.02951	6.0
85.02969	6.3
95.01431	3.8
98.22516	3.0
101.02467	8.5
111.81419	2.4
113.02440	6.9
114.64444	2.6
121.02928	2.9
123.00899	100.0
124.01752	14.2
125.02451	8.7
136.67216	2.6
137.02492	3.1
138.02228	4.7
138.03244	74.1
139.04045	27.9
149.02460	3.0
151.04044	3.7
161.04579	22.0
166.02686	3.4
169.01443	14.4
174.99254	5.3
181.05006	5.1
193.05069	3.9
202.98781	5.2
208.14122	2.8
208.78818	2.6
216.21291	2.5
217.00278	10.5
241.36143	2.8
245.76332	2.7
271.04691	3.1
279.18494	3.2
301.09290	36.4
302.09842	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03444	4.1
59.01386	36.9
61.69769	0.9
61.98838	2.0
68.99815	1.0
69.03461	2.8
71.01389	67.1
72.99312	2.1
73.02955	5.0
81.03487	3.3
83.01394	2.9
85.02962	14.8
87.00885	12.2
89.02456	6.9
91.49687	0.8
93.03477	1.1
95.01406	2.6
97.02993	1.3
98.22709	1.6
99.00891	3.5
101.02442	7.0
109.06617	2.0
111.00906	1.0
111.04494	1.1
111.08167	1.4
112.01672	1.0
113.02476	11.0
117.01960	1.4
119.03532	1.0
123.00961	1.0
123.04578	1.1
123.08191	9.0
125.02491	2.7
135.08075	1.0
137.02438	1.3
139.07671	2.3
141.01973	0.9
141.09233	17.3
143.03554	1.2
151.07695	1.7
161.02408	1.4
167.07225	5.0
169.08745	3.7
181.08704	2.8
195.10350	1.6
197.99167	1.3
198.99960	4.4
199.09784	1.2
209.96964	1.0
224.42311	0.8
247.02342	1.2
285.13394	9.3
317.03104	1.1
329.12448	100.0
330.12906	6.9
361.05219	3.7
361.09357	1.0
361.15085	6.2
362.02637	1.3
362.15289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77685	0.9
57.03443	4.3
59.01388	36.4
61.98837	1.2
69.03455	2.7
69.53329	3.2
71.01390	64.5
71.11810	0.9
71.38145	1.0
72.99298	2.8
73.02956	4.1
75.00848	0.9
81.03465	2.3
83.01386	3.5
85.02950	11.9
87.00890	8.1
89.02458	6.3
91.69881	1.1
95.01393	2.8
99.00864	4.9
101.02468	7.3
109.02944	1.0
109.06582	1.4
111.00871	1.1
113.02467	9.9
119.03507	1.8
122.82240	0.9
123.08173	8.4
125.02434	2.9
137.09778	1.0
139.07687	2.5
141.01979	1.1
141.09235	15.6
143.03529	2.4
151.00256	1.7
153.09163	1.6
159.02954	1.0
159.16258	0.9
161.02412	1.3
163.07707	1.6
164.31543	1.0
165.09251	1.1
167.07127	4.3
169.08730	4.8
178.99858	1.5
181.08730	2.0
185.08215	1.4
191.03369	1.0
197.99127	2.8
198.99904	5.1
199.65295	0.9
224.43864	0.9
234.39853	1.0
285.13510	9.6
300.99713	1.5
329.12454	100.0
330.12750	7.5
361.05246	2.7
361.09271	1.3
361.14972	6.3
361.18707	1.0
379.85251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.151
Annotation	Gibboside
Peak:m/z	Relative Intensity
50.08580	0.8
57.03439	0.9
59.01387	9.8
69.53055	2.0
69.53442	1.9
71.01390	5.3
73.02966	3.9
83.05017	1.1
85.02959	2.6
87.04516	1.9
89.02440	3.1
97.02950	1.0
98.21862	1.7
101.02441	8.3
103.24227	0.8
113.02448	2.8
115.72107	0.9
117.34136	0.7
125.02470	1.4
135.08209	1.2
137.09750	13.0
138.06866	0.9
155.10796	85.3
156.11160	4.2
156.12224	0.8
169.12387	1.8
179.10785	3.7
181.08699	3.5
199.09776	100.0
200.10080	6.3
213.11343	1.5
223.09769	11.1
229.05132	1.0
229.14508	0.8
241.10844	7.7
242.10994	1.0
271.12036	1.5
273.07520	0.8
300.06473	1.5
301.12933	5.9
315.08765	2.6
319.21069	1.9
330.11029	2.6
331.11755	1.0
361.09515	1.6
361.14496	0.8
361.22693	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36521	0.6
59.01377	1.8
65.40057	0.6
69.19799	1.3
69.20207	3.3
113.96960	0.6
121.02964	20.4
122.03234	0.7
125.02427	0.9
135.04550	1.9
154.86861	0.6
166.06363	100.0
167.06674	4.4
169.01617	0.6
179.07312	0.7
181.08720	87.2
182.09071	5.6
193.93335	0.7
195.91063	0.7
202.98886	0.8
278.42487	0.7
286.92325	0.7
361.26099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1659
Annotation	Humirianthol
Peak:m/z	Relative Intensity
57.03444	2.0
58.32983	0.9
59.01395	1.0
66.38593	0.7
71.05021	1.7
71.43240	0.8
75.71825	0.7
83.05021	4.2
91.68448	0.7
107.05062	1.0
109.06612	1.2
124.01577	0.9
133.06599	1.3
161.04842	2.3
166.06352	3.2
168.35156	0.7
177.12857	0.9
181.08795	3.6
190.55444	0.7
202.98668	0.8
203.10829	1.1
203.14404	2.2
205.03831	3.5
229.12398	2.0
242.66515	0.7
255.17537	1.3
273.18607	9.1
274.19104	0.7
289.18225	1.1
299.16507	1.7
299.84708	0.8
315.19943	0.7
317.17609	7.6
329.11447	3.6
343.15543	1.8
361.16583	100.0
362.16977	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	361.1661
Annotation	Sauriol A
Peak:m/z	Relative Intensity
52.84210	0.8
52.87816	1.0
59.01385	16.5
59.01673	1.8
70.57001	1.4
71.01388	4.8
71.01688	0.9
73.02924	2.2
83.01382	1.3
85.02920	2.3
89.02390	2.5
91.43451	0.9
93.03452	5.1
95.01347	1.0
99.00807	1.1
101.02391	4.2
108.02138	1.6
109.02964	10.1
113.02396	1.6
121.02969	30.5
122.03765	30.4
123.04456	2.9
129.03401	1.3
131.03493	0.9
134.03674	2.5
135.04449	4.0
136.05200	2.7
137.02385	2.6
146.03659	2.0
147.04521	13.2
148.05348	1.2
149.05974	3.7
154.02646	1.7
161.06017	5.3
162.06662	1.0
164.04671	1.9
165.05579	41.9
166.05914	2.1
169.74516	1.0
178.06204	1.7
179.07140	14.4
180.07729	2.0
192.06209	1.0
199.09660	1.2
199.13274	3.2
209.08118	1.1
209.11861	4.5
223.09671	1.4
268.73828	1.0
299.21729	1.1
301.19995	2.3
313.14166	1.9
315.12518	6.0
316.12686	1.1
331.15369	1.3
346.14209	16.0
347.14160	2.3
361.16284	100.0
362.16562	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	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80622	2.7
57.54735	2.4
58.32682	2.4
59.01383	15.3
69.34418	11.7
73.06400	2.6
77.46262	2.2
79.95947	2.4
227.49110	3.0
279.23337	100.0
280.23633	11.6
352.53201	2.6
361.15372	8.8
361.23639	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	361.2386
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
55.29756	0.5
56.15068	0.5
57.03453	9.5
61.98827	0.7
80.68517	0.5
98.21907	1.7
157.04820	0.6
243.17798	0.6
266.58130	0.6
301.21555	1.0
303.19693	2.4
343.22598	0.9
360.63272	1.8
361.23856	100.0
362.24152	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	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38706	0.8
59.01383	100.0
60.01713	1.3
70.49612	1.1
71.01376	2.6
75.51030	0.9
87.77883	0.8
89.02450	1.4
102.02149	0.8
109.27833	0.8
120.76203	0.9
135.04539	1.5
140.07188	73.0
141.07536	2.0
147.76128	0.8
161.04549	1.6
163.07619	0.8
201.02008	1.1
201.11304	0.9
218.10419	1.2
300.99820	1.5
302.12384	1.4
303.42734	0.9
363.16519	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	362.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50196	0.8
57.03455	30.2
58.02991	1.1
59.01386	63.1
60.01715	1.0
67.01867	0.9
69.03468	1.4
71.01390	24.3
71.05023	20.0
71.05419	1.0
71.40511	1.2
72.00926	1.6
72.99321	2.1
73.02960	3.1
79.01885	0.9
83.01380	1.0
85.02961	4.2
88.04051	81.8
89.02454	6.5
89.04394	1.1
91.05551	3.1
95.01405	1.4
96.96017	2.7
98.02480	1.5
99.04528	28.3
101.02457	15.1
103.84460	1.0
105.03471	1.0
107.01413	8.1
111.00948	1.4
113.02489	5.5
119.03510	1.2
119.05048	2.6
123.00908	4.9
124.01678	4.9
125.02468	26.7
126.09261	11.3
126.74664	1.0
128.07198	45.0
130.05133	2.2
135.04567	2.5
136.07700	1.2
138.05624	3.6
139.00389	1.6
140.07202	3.9
141.01967	1.5
144.03073	3.8
145.01407	1.5
146.08243	36.2
147.04526	1.4
152.99673	1.8
161.02431	3.8
161.04579	15.7
163.04018	4.3
167.05983	1.0
168.00670	1.5
169.01448	33.0
173.02477	1.1
174.03336	1.2
175.03958	1.2
179.03589	1.3
182.08286	2.1
183.10257	4.9
189.01959	3.6
190.02769	1.5
191.03508	7.4
200.09308	36.5
201.09607	2.3
201.11365	2.2
217.01389	1.8
218.10347	100.0
219.10661	6.4
233.00989	1.5
234.01753	1.0
235.02513	5.0
242.10585	1.2
245.04276	2.1
257.04651	1.1
257.12991	8.0
260.11420	38.7
261.00418	4.5
261.11761	2.3
263.12280	1.1
265.03281	1.1
285.56351	3.3
286.04230	1.4
287.03076	45.0
300.14609	10.8
315.08682	1.2
345.11414	1.1
362.14627	23.9
363.03546	5.2
363.07449	2.1
363.16666	35.6
380.52927	0.9
389.05231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82022	0.6
61.98841	3.0
69.06192	3.1
69.06602	1.4
83.93092	1.0
84.93869	2.5
88.45617	0.7
98.21867	1.0
99.92596	23.8
100.93377	46.6
101.93389	2.2
107.01390	0.9
115.92091	100.0
116.92133	5.8
116.92871	87.9
117.92918	4.9
117.93674	0.8
121.33147	0.5
123.00925	0.8
124.01681	1.2
125.02464	2.2
132.92441	1.1
138.98613	1.0
151.07597	1.0
165.97301	0.8
166.98042	1.9
169.01410	2.1
187.11472	1.0
201.09154	0.6
215.10890	3.7
215.12509	0.6
216.11528	1.1
286.03067	0.7
286.06000	1.2
286.56146	1.5
287.06253	1.3
301.05420	2.6
317.04919	1.2
330.01968	1.9
345.04340	7.1
346.04791	0.8
362.61435	3.6
363.05466	29.5
363.10062	1.7
364.05624	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	363.076
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
52.90041	0.6
55.01853	0.5
55.21769	0.5
59.01395	3.2
61.50263	0.6
69.49483	1.2
71.01385	3.7
72.99299	0.7
73.02945	1.0
79.95745	12.9
80.96526	7.3
82.02998	3.9
83.01385	1.4
85.02962	1.8
87.00876	2.5
89.02469	0.7
95.01384	0.5
96.64545	0.5
96.96019	100.0
97.95956	0.9
98.21921	0.7
101.02445	3.2
104.41239	0.5
113.02437	1.8
122.41573	0.5
122.97594	0.8
132.56088	0.6
136.04095	2.7
137.96381	0.8
138.97070	6.2
150.97089	1.5
164.03571	4.5
166.96548	1.1
179.05185	0.5
194.04573	2.4
196.06146	2.9
241.00262	11.3
242.00748	0.6
244.09734	0.9
245.09181	0.5
287.10391	11.1
288.10788	1.0
309.75104	0.6
331.09415	4.4
363.07571	93.9
364.07928	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	363.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.4
69.48485	4.5
69.48851	1.5
77.29436	0.8
91.05518	1.0
101.14780	1.1
119.05016	1.7
133.06596	4.5
137.02502	1.5
160.74481	1.0
163.04033	3.8
164.04805	39.2
165.05379	3.5
180.38867	0.9
188.73776	1.0
281.11850	100.0
282.12213	11.0
321.09854	3.3
321.13422	1.0
322.09723	1.1
363.10938	5.4
364.04001	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
57.03460	1.4
59.01382	100.0
60.01727	0.8
61.17845	0.6
61.98838	1.1
62.39384	0.6
70.49636	1.3
71.01387	9.3
73.02962	2.8
73.17486	0.6
83.01411	1.2
85.02953	2.6
87.60535	0.7
89.02443	5.6
95.01434	0.9
99.00892	7.6
101.02460	5.9
113.02468	3.6
117.01976	1.9
119.03541	2.8
123.12756	0.7
124.09244	0.7
125.02489	2.4
135.04535	11.7
139.86069	0.6
145.01447	22.7
146.01775	1.2
155.16681	0.6
161.04585	1.6
165.05573	0.9
169.01430	2.0
179.03511	4.9
183.06667	0.8
183.10228	1.0
201.11331	1.6
269.31128	0.8
325.05750	1.1
363.16632	9.5
364.16879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
71.95922	38.7
92.92854	52.7
96.96027	56.0
115.79370	34.7
127.89367	35.3
128.39102	39.3
172.21344	34.6
261.61230	38.5
270.69147	41.2
272.62653	35.4
277.85931	44.6
325.44788	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	364.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13508	7.0
59.01380	30.8
61.29383	7.0
61.89164	6.6
61.98835	100.0
78.95922	41.9
96.96014	20.5
96.96963	72.3
120.15585	7.9
134.95171	8.0
135.71341	8.6
166.05093	8.7
169.01436	8.5
182.08136	8.3
310.80936	7.8
365.04990	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	365.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50406	0.3
67.68513	0.3
69.73723	0.3
69.89053	0.4
69.89377	0.7
76.49757	0.3
79.95737	6.8
80.96059	0.3
80.96519	1.0
87.00898	0.7
93.03449	0.6
107.05040	1.1
108.02139	0.4
119.05036	100.0
120.05357	4.2
121.02975	1.0
121.66453	0.3
122.95787	0.3
125.02501	0.5
126.59002	0.3
135.04533	14.8
136.04825	0.4
141.96909	0.3
163.04008	5.9
166.96736	0.3
169.01410	0.4
187.07643	0.7
199.00716	40.2
200.01024	1.7
201.09241	0.6
215.00212	22.8
216.00592	0.6
242.99672	4.2
285.04108	1.3
333.10025	0.5
365.03366	14.9
366.03799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1608
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
51.95263	1.2
59.01375	1.5
59.01802	1.1
67.01865	1.3
69.03460	2.1
75.65818	1.5
78.04111	1.5
81.03484	1.6
82.37780	1.3
95.01408	2.7
97.02943	2.8
107.01371	2.0
111.00872	1.5
123.00898	24.0
124.01687	10.9
125.02464	62.6
126.02818	1.9
127.00269	1.1
139.00333	3.3
140.01183	1.9
141.01929	4.8
151.00383	29.2
169.01442	43.4
181.01448	2.0
183.13866	3.9
183.26901	1.3
195.13933	4.4
201.02789	1.3
213.14963	22.8
214.15227	1.6
263.34695	1.2
279.91095	1.3
321.17114	1.8
347.15042	7.3
365.16064	100.0
366.16455	10.4
376.73660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03439	2.0
58.00587	1.1
58.21295	0.7
59.01385	100.0
60.01715	0.8
66.58637	0.7
69.03452	0.8
69.16302	3.4
69.16711	1.3
71.01389	41.1
72.99304	1.2
73.02950	1.8
74.02522	0.8
75.95057	0.7
83.01403	2.9
84.69833	0.7
85.02956	12.4
87.00887	1.1
87.83070	0.8
89.02453	52.1
95.01398	3.4
96.96009	1.3
99.08182	2.9
101.02454	31.6
113.02466	15.0
113.09725	0.9
119.03515	30.6
125.02472	1.4
131.03470	1.5
143.03506	2.1
143.25786	0.8
149.04584	1.0
161.04619	2.0
169.01450	1.3
179.05612	3.3
185.11827	6.2
199.84612	0.9
203.12889	2.7
233.19724	0.8
249.03937	0.8
364.99374	1.5
365.18185	59.5
366.18555	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	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47484	0.4
57.03441	1.4
59.01386	3.3
68.00035	0.5
83.05070	0.6
91.04034	0.7
95.05032	0.9
98.21908	1.5
111.08165	11.1
113.09710	0.6
122.89548	0.5
137.09741	0.8
141.18629	0.5
145.91164	0.4
149.09717	0.9
167.10756	2.1
177.12831	2.8
179.10765	2.0
195.13898	6.8
247.20663	1.5
273.18597	1.5
274.43674	0.5
291.19690	100.0
292.20041	10.9
365.23468	0.9
383.90216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79911	0.8
56.45242	0.7
57.03434	1.7
59.01377	2.4
71.41121	0.8
74.44144	0.9
83.05037	1.1
84.97460	0.8
111.08171	9.4
115.98861	0.8
121.10240	1.3
137.09735	1.0
147.63531	0.7
152.83675	0.9
165.61545	0.7
166.09935	0.8
167.10835	1.2
177.12897	2.1
179.10857	1.7
185.11818	0.9
187.50014	0.8
195.13905	7.1
247.20763	1.7
291.19687	100.0
292.20068	11.4
365.14908	1.3
365.23285	1.4
387.08853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16227	54.3
70.65426	100.0
79.52264	50.9
97.06461	59.4
121.64471	56.7
206.15630	54.6
276.61798	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
61.98836	2.7
68.88988	1.0
70.51871	0.9
88.08477	1.0
99.23962	0.9
106.63773	0.8
112.41989	0.8
119.94691	0.8
136.86978	1.0
163.11250	1.7
165.12892	2.6
181.12383	1.3
199.13412	28.9
200.13814	1.6
283.26135	0.8
298.11530	1.0
347.25876	4.1
365.26981	100.0
366.27383	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	365.27
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.37324	0.6
59.01385	1.0
60.30471	0.6
61.98822	1.8
66.24419	0.7
67.74953	0.5
69.83170	1.4
69.83497	0.7
71.61904	0.6
74.78659	0.6
83.43090	0.5
85.06596	2.9
106.34387	0.6
160.75876	0.5
199.13393	2.4
221.88174	0.7
261.18655	1.7
268.94345	0.6
279.19690	16.9
280.20044	1.6
347.25964	5.7
348.26392	0.7
365.26962	100.0
366.27335	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	365.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78717	9.2
72.97042	9.3
74.96764	8.8
94.45394	9.0
108.20954	9.8
132.98637	9.5
134.50076	8.5
347.25842	27.2
365.26944	100.0
366.27325	10.6
384.36276	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	366.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66913	0.5
59.01385	35.0
69.11074	1.9
69.11494	1.9
71.01389	10.4
72.99320	8.0
73.02940	1.5
75.00876	4.8
77.52657	0.6
78.28413	0.7
82.09385	0.5
83.01418	1.1
84.17209	0.5
85.02962	3.1
85.03403	0.6
87.00897	1.9
89.02454	7.5
93.91372	0.6
95.01414	1.1
99.00871	0.7
101.02457	4.7
101.06087	1.1
103.00410	1.9
107.01420	0.9
111.00926	1.0
113.02451	4.3
116.05075	9.4
119.03522	1.9
119.05029	1.1
121.02975	2.0
125.02431	2.1
128.05084	2.6
130.06631	1.8
142.06639	100.0
143.06978	5.9
145.02899	0.8
146.03734	1.4
146.99397	0.7
158.06139	12.3
159.06470	0.9
160.07721	0.9
163.04027	1.5
163.07599	0.7
169.01419	2.3
172.05339	0.7
175.04021	0.8
175.07657	2.4
186.05623	44.6
187.05962	2.4
187.07722	1.6
188.04820	0.8
199.07709	0.6
200.04845	0.8
203.07161	1.0
204.06670	29.4
205.07013	2.4
205.08719	1.2
209.04593	0.7
217.08728	0.9
219.10355	1.0
229.08791	3.2
233.08165	1.4
237.06219	1.5
246.07722	2.0
270.04010	0.6
273.07779	1.8
277.10672	2.6
282.11783	0.7
290.05386	0.7
300.99960	0.7
349.09375	0.9
366.11957	63.9
367.10321	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	367.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.2
57.03444	3.0
59.01381	8.5
71.01382	2.1
71.05017	1.5
72.99313	6.4
83.01399	7.0
87.00401	1.5
87.00886	13.3
87.09208	0.8
89.99643	0.8
96.96045	3.0
98.21785	1.0
99.00885	26.4
99.04523	1.2
101.02454	5.1
111.43098	0.8
116.52701	0.8
117.01950	12.2
123.04536	7.7
134.03735	0.8
135.04527	7.2
145.01445	100.0
146.01767	2.4
146.03708	1.1
147.04477	1.0
149.06085	1.6
163.02568	1.1
163.03986	1.3
163.07576	1.3
173.06125	1.3
175.07669	2.2
179.03505	4.3
187.02509	4.1
187.03947	1.0
187.07759	0.9
189.09232	1.1
191.10721	1.0
201.05646	0.9
205.03548	31.9
205.08711	1.1
217.08759	3.2
219.10460	0.9
229.14856	1.0
233.08153	1.4
235.09822	1.8
243.10268	1.0
245.08232	1.4
277.10812	2.7
307.08044	1.1
313.07166	0.9
367.10382	14.7
368.11050	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.03447	3.2
59.01378	8.7
67.00776	0.7
70.19318	0.7
71.01386	1.9
72.99313	2.1
73.19823	0.6
83.01401	7.2
87.00876	3.9
98.08035	0.7
98.21896	2.8
99.00887	23.2
101.02451	5.6
117.01962	11.4
135.04536	6.0
145.01440	100.0
146.01811	3.4
163.02530	1.5
179.03546	3.2
187.02498	4.1
205.03535	30.1
206.03906	1.0
227.63216	0.7
255.74251	0.7
306.03934	0.9
307.04568	1.1
367.10303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96369	0.7
55.01884	1.4
57.03432	2.3
58.27742	0.6
59.01381	10.0
66.60194	0.7
69.38840	2.3
69.39230	1.2
71.01379	2.4
71.05022	1.8
72.99320	8.8
73.02956	1.1
83.01397	7.4
84.61101	0.7
87.00884	12.8
94.64899	0.7
96.96023	12.6
99.00884	27.5
99.04544	1.2
101.02460	7.1
110.38174	0.8
117.01947	12.3
119.04987	0.8
123.04546	8.7
134.41606	0.7
135.04544	7.6
145.01442	100.0
146.01765	2.6
146.03751	1.2
148.05302	0.8
149.06107	1.5
161.02411	1.2
162.06749	0.7
163.02509	2.2
163.04007	2.1
163.07671	1.6
172.05330	0.9
174.03191	1.4
175.07655	2.2
179.03535	3.3
187.02519	4.3
187.03993	1.3
191.10681	1.1
203.07306	1.2
205.03535	30.9
205.08810	1.5
206.03804	1.1
215.07109	1.0
217.08728	4.5
219.10278	2.7
233.08369	1.3
235.09790	1.2
243.10326	1.4
259.09882	1.1
277.10706	4.3
287.09229	1.3
305.10043	0.9
307.08209	1.3
349.09317	2.8
367.10410	27.2
368.10992	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.1
61.26165	3.1
61.98551	5.3
61.98838	69.7
63.74978	3.1
64.49963	3.0
69.06164	3.2
70.89114	3.0
71.01395	25.7
85.02972	9.0
87.00879	4.2
88.06721	2.9
89.02455	29.9
96.71936	3.5
101.02457	10.8
108.02160	5.4
113.02460	9.5
116.05093	5.1
119.03519	11.5
125.02445	7.4
130.59229	3.3
132.35492	3.2
137.02460	4.4
144.03511	5.8
144.04578	100.0
152.01212	4.4
167.03482	11.1
169.01428	5.4
188.03574	5.7
191.00264	5.5
206.04320	5.9
253.62965	3.4
255.05008	7.4
277.03354	3.8
305.06573	4.0
351.51132	3.3
367.13336	4.2
368.09714	4.5
374.96707	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	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.7
67.41921	1.2
69.03458	1.9
70.35399	2.4
71.01391	3.4
72.99316	70.9
73.62461	1.0
86.00103	3.5
87.00883	15.0
96.87130	1.3
96.96030	1.9
97.06579	4.2
99.00879	2.2
99.30046	1.5
100.98786	2.7
103.00393	16.8
109.02937	2.0
111.00900	2.2
113.02457	1.9
116.35230	1.1
121.02958	5.4
122.03747	4.6
123.00865	1.9
123.04539	5.8
124.01667	3.1
125.02460	3.3
130.77330	1.3
130.99889	2.2
135.04524	3.8
146.03734	11.1
146.99350	8.1
147.04521	3.7
148.00198	2.6
148.05327	1.8
149.00844	1.6
149.06151	2.8
150.03247	2.9
159.04536	4.4
160.05241	1.5
161.06105	2.9
162.06876	1.9
163.04045	3.6
163.07646	12.4
169.01494	2.2
172.05321	7.8
173.06038	3.8
174.03244	5.1
174.06796	3.2
175.04001	6.3
175.07649	30.6
176.04791	12.7
176.08043	3.5
177.09164	1.7
179.03522	3.0
186.06909	5.4
187.04073	5.0
187.07658	17.4
188.04782	8.3
188.08046	2.1
189.05539	3.8
189.09222	2.0
190.06375	6.4
191.07211	2.9
191.10828	2.1
199.07690	2.7
200.04805	12.1
200.08344	1.5
201.05617	3.0
201.09221	5.6
202.06354	3.6
203.03482	1.5
203.07170	12.7
204.04239	4.5
204.07886	2.8
205.08720	22.6
215.07106	6.6
215.10832	1.5
216.07759	1.5
217.08701	13.3
219.10300	13.2
228.07887	2.7
229.08723	32.2
230.08978	2.2
231.10280	3.0
233.08228	23.2
234.08575	2.9
241.08627	1.6
245.08167	2.8
247.09700	6.9
255.05025	3.1
257.08224	2.5
259.09732	10.0
261.11258	4.2
269.08478	1.9
270.03833	6.1
273.07739	22.8
274.08014	1.5
275.09299	4.0
277.10797	26.2
278.11163	1.8
287.09262	3.7
287.59821	1.5
291.08792	3.0
292.06967	9.4
293.10388	5.1
305.10400	3.1
331.08276	4.2
349.09122	10.2
367.10345	100.0
368.10999	9.5
382.42200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
52.97078	2.4
55.01865	2.6
57.03443	2.8
59.01380	12.3
59.65552	2.1
62.34427	2.1
68.39128	2.0
71.01381	4.5
71.05029	7.0
83.01385	4.9
84.64375	2.3
84.94060	2.3
87.00883	100.0
90.52830	2.3
95.05041	5.0
99.00901	15.0
101.02441	5.6
104.78932	2.4
113.06104	9.6
117.01950	8.9
117.03458	2.3
119.05007	2.3
121.02953	8.8
122.03785	2.2
123.04540	23.2
124.01712	3.4
125.02444	4.3
128.94135	2.3
130.99879	4.9
135.04538	28.1
145.01439	60.6
145.02945	12.0
146.01773	3.2
146.03764	29.0
147.04500	4.0
149.06078	5.9
159.04518	23.4
160.05145	3.3
161.06133	19.4
162.03232	9.7
163.04004	23.7
164.04810	6.1
165.05582	3.7
171.04538	8.9
173.06084	10.1
175.04056	4.9
176.04787	2.9
177.05585	6.5
185.06097	4.3
187.02557	3.9
187.03967	14.2
188.04767	13.9
189.05562	12.1
189.09346	4.0
190.05942	2.9
191.03452	3.1
191.07057	2.8
199.07661	6.7
201.05682	4.9
203.07207	5.1
204.04266	2.6
205.03523	16.9
205.05151	9.4
217.08717	79.8
218.09015	4.7
219.06606	2.5
227.07179	9.2
229.04915	3.5
235.09819	9.8
243.10300	12.1
245.08221	11.0
259.09839	11.8
261.11343	3.9
287.09232	6.4
289.07080	24.1
291.34259	2.3
305.10428	5.2
307.08310	6.0
367.10345	98.4
367.14993	4.9
368.10501	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	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45984	1.3
55.50682	1.2
55.55037	1.3
59.01386	14.5
69.03455	2.7
69.59203	5.8
71.01388	5.3
72.99316	71.8
84.99323	1.7
86.00103	4.4
87.00891	9.5
89.02415	1.4
92.04495	1.4
92.52508	1.4
97.06604	3.2
99.00889	3.9
100.98812	1.8
103.00380	18.1
109.02962	1.6
113.02428	1.7
119.05046	3.5
121.02958	3.3
121.74170	1.3
122.03765	2.5
123.04536	4.4
142.06631	4.7
143.07004	5.4
146.03728	12.9
146.99379	9.9
147.04536	5.4
148.00175	3.4
148.05357	2.2
149.00961	1.8
149.06052	2.5
159.04482	3.6
160.05424	1.7
161.06151	3.3
162.03278	1.5
163.04012	5.7
163.07680	13.7
171.80247	1.4
172.05388	7.3
173.06020	5.4
174.03212	5.9
175.03970	6.1
175.07671	29.1
176.04805	13.5
176.07944	1.6
186.06902	6.6
187.04099	6.8
187.06038	2.5
187.07637	21.0
188.04790	8.8
189.05531	2.3
189.09146	2.1
190.06320	7.4
191.03392	1.7
191.07133	3.8
191.10735	2.0
199.07593	1.8
200.04791	13.5
200.08389	1.5
201.05458	2.7
201.09166	7.5
202.06384	5.8
202.21634	1.5
203.07146	11.5
204.04385	2.1
205.06847	2.6
205.08678	20.9
206.08961	2.3
215.07059	8.3
215.10828	3.4
216.07788	2.6
217.08742	10.0
219.10237	9.3
228.07967	1.6
229.08691	35.3
230.09056	3.1
231.10286	2.4
233.08195	22.6
234.08533	2.5
241.08748	1.8
245.08034	3.6
247.09688	4.4
257.08160	2.5
259.09683	10.6
261.11237	2.6
270.03925	8.0
273.07739	22.1
274.07962	1.9
275.09305	6.3
277.10837	27.6
287.09232	4.6
293.10333	5.4
331.08215	3.6
349.09418	8.0
367.10315	100.0
368.10544	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.2
55.46605	1.0
57.03443	3.6
59.01089	2.5
59.01384	45.5
70.34562	0.9
71.01390	50.4
73.02953	30.4
75.00889	1.9
83.01398	12.7
85.02966	28.9
86.68398	1.0
87.00896	5.2
89.02457	11.0
95.01400	3.9
97.02972	2.6
99.00889	10.1
101.02456	56.7
102.02807	1.5
113.02460	24.0
119.03508	1.9
125.02472	4.0
126.45094	0.9
129.02016	1.2
131.03520	3.3
143.03506	1.9
149.04713	1.1
159.03001	5.7
161.04581	23.2
161.05888	1.8
222.05623	0.9
233.06602	1.8
235.11894	100.0
236.12259	7.3
295.01556	1.2
339.42084	1.0
356.97543	1.0
367.16135	78.8
367.49228	1.1
368.16498	8.7
373.46375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2643
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
58.51903	0.6
70.68030	0.9
71.08124	0.7
85.94722	0.6
132.23700	0.7
133.06598	8.2
134.07013	0.8
149.09729	83.1
150.10056	4.5
194.09471	0.6
205.15973	49.6
206.16309	2.9
295.17090	3.8
296.17651	1.1
328.16666	3.8
336.56754	0.7
367.26404	100.0
368.26788	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	367.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21540	0.5
60.37295	0.7
72.72137	0.6
75.60618	0.6
133.06609	1.7
149.09734	67.8
150.10092	3.7
205.15988	71.7
206.16304	5.7
234.30106	0.7
341.34210	0.7
367.26431	100.0
368.26740	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	368.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95262	0.6
61.98835	100.0
62.44353	0.6
70.78340	0.8
78.95935	0.6
83.34441	0.6
125.02480	2.6
130.74368	0.5
137.02486	1.9
139.04015	1.0
139.33838	0.6
144.52371	0.7
165.02002	0.8
167.03499	1.3
177.60120	0.7
261.07498	0.6
305.06662	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	368.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28341	0.8
59.01386	44.2
60.01715	0.8
61.98835	68.6
65.28990	0.9
69.40193	4.0
71.01389	22.9
85.02961	5.7
87.00889	0.9
89.02454	32.1
90.02805	0.9
95.01389	2.3
98.22725	0.8
101.02454	12.5
102.02793	1.4
113.02464	9.6
116.02652	1.0
116.05073	3.4
119.03515	13.8
125.02524	1.9
128.31856	0.7
131.03516	1.6
143.03535	1.6
144.04567	100.0
145.04951	5.4
149.04601	1.1
156.93602	0.9
161.04585	1.9
167.03470	1.0
177.02029	0.9
179.05609	3.2
188.03467	3.3
206.04335	2.1
214.99808	1.1
271.44421	0.9
305.06638	3.3
322.19656	0.7
336.31290	0.9
354.68393	0.9
368.09842	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.2
60.54178	2.5
64.48367	3.0
69.39156	13.2
70.96581	2.4
72.99321	9.1
73.02940	4.0
74.88831	2.6
85.02870	2.2
87.00899	19.0
93.03469	4.2
97.06599	27.8
101.37514	3.4
107.05047	6.9
112.05265	4.2
121.02975	74.6
122.03753	14.9
123.04496	4.9
125.02439	2.8
129.80107	2.6
135.04536	2.8
146.03900	2.9
147.04539	22.7
148.05322	10.3
149.02414	2.6
149.06041	4.9
163.03999	17.9
163.07579	2.5
164.04761	9.7
165.05482	4.8
179.03448	5.0
180.03952	4.8
185.14211	2.6
191.03548	7.7
192.04300	5.7
201.09213	2.8
219.10207	8.4
278.11264	3.8
289.10626	4.8
307.11856	3.2
309.09836	13.4
351.10895	10.2
368.10660	21.9
369.11917	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	369.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83931	1.1
57.93037	1.2
59.01382	9.8
66.03472	1.4
71.01388	4.8
71.41211	1.1
72.00913	10.8
72.99315	9.8
73.02937	4.1
75.00884	3.2
80.28452	1.0
85.02954	5.1
87.00881	1.8
89.02443	5.0
96.96006	3.9
99.00893	1.3
101.02473	2.8
103.82804	1.1
105.03468	1.6
109.02976	8.4
116.05062	3.2
117.05555	3.7
119.05355	2.1
121.02969	3.3
123.04553	6.8
125.02452	1.7
130.96617	2.0
131.03749	4.0
132.98216	12.4
133.02936	1.7
134.06035	1.2
135.04527	1.5
142.06635	15.2
144.04558	11.9
146.06140	7.5
149.02475	1.8
157.05307	2.1
158.06114	23.9
161.02390	1.8
162.05597	1.3
164.98689	7.9
165.05560	1.5
167.06158	4.0
168.04593	2.5
169.07726	54.3
170.06090	7.1
170.08084	2.6
172.07700	1.4
174.05643	1.3
179.00275	49.8
181.01854	6.5
181.07695	9.6
184.04022	2.3
185.04771	6.6
188.07214	5.7
188.97127	1.9
190.05093	3.0
191.01942	1.2
193.99007	2.2
196.97673	1.8
197.01280	2.3
199.08789	39.6
200.09065	1.7
201.02042	1.4
202.05051	7.9
206.99776	21.5
209.01315	1.7
210.99242	23.8
211.02541	1.7
211.08792	2.7
213.06750	1.8
217.09854	1.4
218.08270	1.2
220.97665	2.9
221.01343	26.0
222.99207	7.2
224.97218	2.0
225.06705	1.5
231.07680	1.4
234.99229	5.8
237.00789	15.7
238.98703	4.1
239.02327	3.1
243.07945	1.7
249.00899	6.1
249.08777	3.0
250.98691	5.7
251.99474	5.8
252.96295	2.4
253.00201	2.2
255.01778	4.0
261.08737	1.7
265.00262	4.1
268.99844	6.2
279.01837	2.2
279.09802	1.5
280.99854	1.5
292.99832	42.8
294.00101	3.5
307.01227	2.3
308.99313	100.0
309.99817	5.6
334.11566	1.2
369.01617	7.3
369.12823	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	369.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63686	1.8
57.03456	2.2
58.60472	2.0
59.01381	6.4
71.01399	2.1
71.42578	2.2
85.02962	11.1
96.96024	15.3
105.04244	2.3
119.05025	3.5
123.42246	2.3
124.01656	3.1
125.02444	7.7
131.03510	11.4
132.02200	5.6
134.03758	4.7
143.03542	2.2
146.96191	2.0
147.04532	4.0
149.02422	5.6
149.06026	2.1
150.03227	2.9
158.03812	2.4
160.01671	14.4
163.00417	2.7
163.04001	6.5
164.04787	4.7
165.05544	7.0
175.02487	3.6
176.01161	7.4
188.01146	8.5
189.01978	2.8
190.99910	2.0
193.08687	3.3
202.99890	2.9
204.00630	3.2
206.02162	2.6
207.06575	2.3
216.00545	2.8
218.99358	7.8
232.00200	5.0
234.01675	7.8
259.99625	91.1
261.00250	14.9
273.00647	2.1
275.02008	4.3
278.00708	100.0
279.01031	7.9
293.03055	4.5
293.05997	6.8
293.56384	3.1
304.81406	2.1
310.03268	7.3
369.02719	2.2
369.07913	2.5
369.11996	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	369.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.4
69.20480	6.7
69.20885	3.6
79.95774	2.0
87.00884	3.8
95.01415	2.8
96.96026	24.9
97.06580	2.0
98.21828	3.2
98.95587	2.3
102.98627	13.9
121.02972	10.3
123.00888	8.4
124.01697	4.5
125.02456	7.2
130.04225	1.9
147.04572	3.4
151.00432	2.9
156.05807	2.2
158.03685	2.1
160.01517	2.0
163.00438	3.4
164.04793	1.6
169.01462	8.3
169.02806	1.7
169.69043	1.8
172.05331	3.5
176.01222	2.8
183.04541	2.2
184.05351	8.3
189.01962	2.0
195.08200	2.9
196.05275	3.5
197.09729	2.9
198.03201	4.8
198.06966	1.9
199.04022	2.0
199.07663	2.5
200.04880	3.3
202.02739	2.6
208.00148	3.1
208.05406	2.1
211.04037	7.8
212.04819	5.8
213.01929	2.0
213.09212	8.1
214.02719	11.0
223.04016	3.8
223.07680	9.4
224.04823	5.3
225.05696	4.9
225.09311	8.2
226.02818	2.3
226.06389	1.8
227.03690	2.7
227.07124	2.4
229.01373	1.9
237.05618	3.3
239.03500	7.0
239.07300	1.9
240.04292	19.7
241.08699	15.0
242.02248	6.5
251.03506	2.6
251.07141	9.4
252.04149	2.1
252.07909	3.0
253.05113	11.1
253.08670	4.0
254.05927	6.2
255.03114	3.6
256.03778	16.1
258.01566	2.2
259.99591	4.0
265.04953	4.6
266.05798	2.9
267.03055	9.3
267.06531	2.3
268.03757	9.5
268.07315	2.0
269.00833	3.6
269.08243	38.6
270.01526	2.1
270.08478	6.5
279.03732	1.8
279.06683	8.1
281.04578	13.2
281.08145	4.9
282.05356	13.5
283.05960	2.0
286.01263	5.3
295.02463	11.5
295.05804	2.9
296.03186	5.3
297.07712	99.8
298.07999	9.8
307.06268	5.0
309.03986	4.2
309.09576	2.0
310.04724	2.9
312.06488	2.7
313.07175	11.0
323.05554	6.1
325.07181	89.0
326.07532	12.5
341.06680	100.0
342.07050	11.4
351.11066	2.7
369.06180	46.7
369.12134	30.2
369.17038	3.0
369.18478	2.5
369.22971	2.1
370.06491	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	369.0619
Annotation	Meliternatin
Peak:m/z	Relative Intensity
59.01372	1.1
65.00317	0.7
68.02543	0.5
69.32050	1.7
71.01382	0.6
73.02905	0.4
77.42673	0.4
85.02930	0.5
86.27991	0.4
96.96010	3.3
97.02946	0.6
99.04496	0.4
101.02467	0.4
105.84030	0.4
107.01334	0.5
113.02509	0.4
119.08062	0.3
121.02974	1.5
123.00869	1.6
124.01692	0.8
125.02457	3.2
133.21432	0.4
141.01991	0.7
144.02315	0.4
145.06190	0.5
151.00380	0.7
155.60901	0.4
165.12842	0.4
168.00659	0.7
169.01430	3.9
170.01709	0.4
170.03793	0.7
174.03148	0.5
176.69484	0.4
181.01466	0.5
183.04601	0.8
184.05356	1.2
186.03267	0.5
188.01152	0.5
190.02754	0.7
192.38272	0.4
195.04666	0.9
196.05267	1.8
197.09750	1.1
198.03223	0.8
198.06778	0.4
199.04181	0.6
199.07675	0.8
202.02695	1.4
208.05396	0.5
209.06081	0.9
210.07036	0.7
211.02342	0.5
211.04124	2.3
211.64633	0.4
212.04765	3.0
213.01880	0.5
213.05193	0.5
213.09276	0.9
214.02730	0.6
216.00673	2.2
217.01418	1.6
218.02237	0.6
223.04057	1.1
223.07689	0.9
224.04816	1.2
225.05624	1.9
225.09203	6.8
225.11334	0.7
226.02745	1.4
226.06319	0.6
227.03470	1.0
230.02165	2.2
231.03003	0.5
236.04996	0.6
237.05586	1.1
238.02733	2.7
238.06384	0.9
239.03462	3.0
239.07077	0.7
240.04265	3.3
240.07822	0.7
241.03471	0.6
241.08655	2.3
241.53575	0.4
242.02205	1.1
244.00171	2.5
245.00871	0.7
246.01672	2.3
251.03522	0.9
251.07159	1.3
252.04253	1.6
253.05092	1.2
253.08777	1.7
254.02182	0.8
254.05937	0.7
255.02946	0.4
258.01773	1.6
262.01230	0.6
265.05017	1.0
267.03021	7.5
267.06241	0.5
267.06824	0.4
268.03702	2.5
268.07358	1.3
269.00906	0.9
269.08197	5.9
270.01688	0.6
271.99631	5.3
273.00513	1.1
279.06635	1.2
281.04642	1.2
281.08167	1.1
282.05295	1.1
283.06107	0.7
284.06412	0.4
293.56631	0.5
295.02557	0.9
295.06238	0.7
296.03284	2.2
296.06915	2.7
297.07715	10.5
298.07825	0.9
307.06192	1.3
325.07178	9.8
326.07440	0.8
341.06705	1.3
351.10770	0.7
360.11444	1.3
360.61337	0.6
368.63507	0.5
369.06180	100.0
369.11603	5.6
369.61987	1.1
370.06494	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	369.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20520	1.0
53.63252	1.0
53.65187	1.0
59.01376	4.6
60.50381	1.3
69.55253	2.2
69.55656	3.9
70.88096	1.3
71.01380	2.3
72.00926	1.4
85.02982	1.5
87.00897	6.2
89.02467	1.6
96.04555	5.0
96.96024	5.6
103.00372	3.1
108.97213	1.7
113.02424	1.8
128.03561	4.0
130.00037	1.6
134.04774	2.9
145.06187	1.3
146.68002	1.1
150.00397	1.2
164.99893	1.6
168.01550	93.3
169.01677	8.0
177.01628	9.4
178.97748	1.5
179.01404	1.7
183.99313	17.5
186.02623	6.8
192.99309	6.0
194.92841	1.2
195.02634	3.5
198.97995	3.5
199.01817	1.3
210.02542	1.9
211.00371	1.6
220.02878	1.8
220.04726	14.8
221.04942	2.3
235.05783	9.0
237.05672	1.9
238.05742	7.4
245.04172	3.7
247.03253	2.5
247.05734	37.3
248.05978	4.5
251.03520	1.5
253.99844	4.0
263.03271	13.8
263.05981	1.5
265.06827	100.0
266.07083	12.3
271.02454	1.6
281.04642	7.7
283.07697	1.3
290.03473	1.6
307.02536	1.2
307.06216	4.0
333.04071	2.4
351.05099	4.3
369.07870	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	369.0983
Annotation	Chaetoxanthone A
Peak:m/z	Relative Intensity
58.28703	1.3
58.74465	1.1
62.60376	1.0
69.17951	2.0
69.18369	5.5
98.21784	2.1
111.00849	1.3
123.00891	1.5
124.01665	3.0
125.87333	1.6
137.02460	1.8
164.97064	1.3
187.04063	6.1
201.05537	1.5
210.06732	1.5
211.07693	1.8
215.03500	2.2
225.05528	2.4
237.05527	3.5
239.07169	3.3
241.05013	1.2
253.02724	1.3
253.04860	6.5
254.05840	1.5
255.06648	3.7
256.78470	1.1
265.05029	3.4
267.06589	1.2
281.04599	24.7
282.05273	7.2
283.06082	3.9
289.87207	1.2
293.04727	1.7
295.06250	1.8
297.07547	1.1
306.05411	1.6
309.04074	24.6
310.04660	8.0
311.05475	5.5
311.08905	1.5
321.04031	2.2
324.06430	31.2
325.07166	11.7
335.05560	2.4
335.47073	1.1
336.06439	2.8
338.04449	5.9
338.07761	1.4
339.05020	14.9
339.08768	9.3
340.05368	2.6
346.80426	1.3
353.06616	24.2
354.07462	73.8
355.07773	9.5
369.09787	100.0
370.10101	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	369.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
71.01379	1.8
87.00885	40.5
87.01392	3.3
89.69125	1.5
97.06583	3.8
98.22689	4.5
102.94938	1.6
121.02942	4.0
121.59895	1.9
122.03751	3.2
123.04546	5.3
130.99869	6.6
132.00682	2.7
146.03752	5.7
147.04507	5.0
149.06091	3.7
161.06102	4.0
162.06902	7.1
163.07655	7.1
172.05344	10.8
173.06081	6.4
174.03300	4.4
174.06827	2.0
175.04010	6.7
175.07660	25.6
176.04709	3.1
177.09244	2.3
186.06895	6.2
187.07661	6.5
188.08060	1.7
189.05553	5.6
189.09195	3.0
190.06413	21.3
191.06966	2.0
191.10818	13.3
200.04773	11.9
201.05641	3.9
201.09209	23.2
202.09854	1.7
203.07143	12.8
204.07935	8.4
214.06401	2.2
215.07126	3.3
216.07843	2.9
217.08681	7.2
217.12309	2.0
218.09134	1.5
219.10278	51.1
220.10687	3.6
227.10780	8.8
229.08713	60.8
230.09053	6.1
233.11844	2.4
243.10318	4.3
245.08275	7.5
245.11876	5.7
247.09827	18.5
254.04205	5.0
261.11331	6.9
271.09778	4.2
273.07727	30.6
289.10855	9.4
291.08737	9.0
309.09848	2.1
315.08896	2.2
333.09900	13.3
334.10214	1.9
351.10873	100.0
352.11411	9.9
369.11899	63.8
370.12161	7.2
370.16409	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40697	1.2
57.03464	1.7
59.01377	3.8
61.56292	1.3
62.79204	1.3
69.44158	6.4
71.01383	3.7
71.05020	2.1
71.72123	1.2
79.27195	1.2
85.02919	2.7
87.00886	31.0
96.95986	2.7
97.06631	2.2
101.02474	1.8
111.00881	1.4
121.02975	5.9
122.03751	3.8
123.04479	2.5
123.36796	1.3
124.01707	1.7
125.94530	1.4
130.99850	2.4
135.04538	2.5
136.05321	3.9
137.06102	2.9
140.04422	1.2
145.01460	2.0
146.03740	4.5
147.01878	2.3
147.04553	7.7
148.05344	2.4
149.06081	3.0
150.03244	2.1
159.04462	1.8
163.04041	3.7
163.07677	1.6
164.04797	69.1
165.05267	4.0
165.09210	7.7
167.37689	1.6
172.05310	5.2
173.06114	3.1
175.07637	19.9
175.46693	1.1
176.04803	1.9
186.06870	2.8
187.07668	3.2
188.04770	2.2
189.05551	1.6
189.09235	1.8
190.06427	6.8
191.06921	1.9
191.10840	2.0
192.00700	1.8
192.04285	2.8
193.08707	82.0
194.09062	6.0
200.04924	1.8
201.09212	15.0
203.07137	4.8
204.07809	1.6
206.05867	3.1
207.02980	3.0
216.07852	1.7
217.08717	5.0
219.10236	16.2
221.08260	2.4
227.10802	4.1
229.08656	13.9
235.09732	13.5
237.11375	2.9
245.08267	6.3
245.11789	3.0
247.06136	3.0
247.09789	5.5
254.04375	2.7
263.09250	2.7
271.09967	1.6
273.07736	13.6
289.10757	6.4
291.08795	2.7
292.57144	1.6
307.12009	2.4
309.09796	12.9
325.09320	9.2
326.03824	1.4
333.09674	4.6
338.65652	1.4
351.10889	43.1
352.11111	4.0
369.11911	100.0
370.12213	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	369.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03442	0.4
59.01371	1.7
59.13984	0.3
69.11646	2.7
71.01389	2.3
73.02949	0.8
79.95744	19.4
80.96527	6.1
83.01376	0.4
85.02937	1.7
87.00891	2.0
94.98103	0.6
96.96021	100.0
99.00922	0.6
101.02448	3.3
107.73183	0.4
111.00888	0.9
113.02473	1.8
122.97602	0.5
125.02448	0.7
131.59288	0.3
134.92117	0.4
137.96297	0.7
138.97072	4.3
150.97049	1.0
166.96574	0.8
169.01497	0.7
180.98198	0.5
238.98701	1.3
241.00241	8.0
256.99725	3.5
293.06876	0.8
325.07034	0.8
369.12262	84.7
370.12573	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	369.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03456	0.3
59.01377	1.0
71.01390	2.8
73.02932	0.4
79.95744	20.2
80.96525	6.7
80.96962	0.2
83.01384	0.6
85.02950	0.6
87.00894	1.8
89.02499	0.4
96.96020	100.0
97.95956	0.4
98.21870	0.8
99.00893	0.6
101.02452	2.5
104.97797	0.3
111.00900	1.1
113.02463	1.5
122.97615	0.5
123.00839	0.3
124.01665	0.7
124.49160	0.3
125.02464	1.3
129.01996	0.4
137.96298	1.2
138.97081	3.9
150.97104	1.1
166.96622	0.9
169.01460	0.9
181.20439	0.3
186.59305	0.3
189.51547	0.3
237.09209	0.3
238.98734	1.9
241.00258	9.5
242.00485	0.4
256.99744	2.8
293.06821	2.1
293.56879	0.5
369.12256	86.4
370.12549	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	369.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
64.78949	0.7
65.52261	0.6
71.01393	1.8
79.95741	6.4
80.96538	4.0
83.01392	1.2
87.00885	14.6
87.47861	0.8
91.05538	1.0
93.03469	2.0
96.96022	40.4
97.06603	8.9
98.22623	1.8
99.00882	0.9
101.02421	0.8
103.05582	0.8
105.03433	0.9
107.05041	5.8
111.00867	3.4
112.05309	5.9
113.02417	0.7
119.05048	0.9
121.02972	43.6
122.03814	5.9
123.04518	2.7
129.01935	1.3
130.99876	1.0
135.04578	1.7
137.02469	0.8
138.97090	2.0
139.04076	0.7
146.03818	0.8
147.04553	14.3
148.05363	4.2
149.02507	0.8
149.06189	1.0
163.04037	9.5
164.04794	4.3
165.05539	2.2
175.07716	1.3
191.03534	4.1
192.04315	4.3
193.05075	2.5
194.02116	0.9
201.09201	2.6
219.10226	0.9
228.74464	0.7
238.98679	2.9
241.00269	2.9
256.99738	5.5
261.11365	1.4
283.06168	1.2
289.10901	1.2
291.08856	1.8
297.07498	1.2
309.09836	8.7
325.07162	2.2
351.10956	6.9
368.63116	0.8
369.12073	100.0
370.12460	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	369.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	98.5
69.03455	3.9
73.98946	3.3
80.17368	3.2
85.02952	7.0
92.69775	3.2
96.96003	5.3
97.02967	17.9
97.06589	3.3
98.79159	3.2
104.70088	3.5
111.08124	4.3
121.77609	3.0
125.09744	4.3
126.95988	3.6
127.35117	3.2
137.09743	6.5
144.22855	4.7
165.12880	6.2
171.10274	25.2
181.73337	3.6
211.13376	25.2
221.11914	5.3
227.12946	4.7
229.14433	11.8
233.66792	3.4
247.20628	5.5
291.19684	70.3
292.20105	8.5
309.20740	100.0
310.21194	7.0
311.08929	7.7
327.21854	27.8
334.81781	4.1
339.08740	7.8
354.11060	9.3
369.13553	7.5
369.22794	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	370.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
62.18497	0.2
64.53346	0.2
69.14771	1.7
98.22689	0.6
123.50871	0.2
145.02925	0.4
173.02490	0.9
189.01970	0.4
191.57744	0.3
198.09175	0.3
201.01962	1.4
215.03691	0.3
217.01465	0.5
218.04529	0.5
220.06102	0.5
224.07072	0.5
226.05121	0.5
226.08714	2.8
228.06612	0.6
229.01387	1.0
240.06754	1.0
241.03625	0.4
242.04521	0.5
242.08136	1.9
245.00934	0.9
252.06723	0.8
254.08235	1.7
257.00864	0.4
257.06931	0.6
258.04129	0.3
258.07800	0.5
268.06137	1.6
269.03622	0.4
269.06897	0.7
270.07703	5.5
271.08023	1.1
273.00455	2.8
274.01147	1.3
280.06131	0.9
282.07510	1.4
283.05991	0.4
284.05835	0.4
285.00467	0.3
285.06308	1.5
286.07202	2.1
296.05643	1.9
297.02991	0.5
298.04178	0.3
298.07123	2.0
299.01950	0.8
299.99255	0.6
300.02539	0.4
300.99841	3.1
308.05582	0.5
309.03857	0.4
314.06931	1.6
322.01236	0.6
324.01602	0.4
324.05176	4.2
324.99841	2.8
325.05750	0.7
326.00388	0.4
326.06738	2.3
340.02097	0.3
341.05655	0.5
341.10410	0.9
342.02792	0.3
342.06204	8.2
343.06580	1.1
352.04608	1.9
353.05273	0.8
356.12646	0.7
363.30557	0.3
370.05692	100.0
371.06042	11.5
371.15134	1.2
371.20767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.9
57.03457	7.6
57.91588	0.8
59.01372	9.2
59.94966	1.0
69.43174	0.9
71.01392	12.4
71.42793	1.1
72.99314	1.1
75.00891	1.6
83.01408	1.0
85.02956	69.9
87.00890	3.9
89.02423	5.2
103.00382	1.6
111.00908	1.5
122.03732	1.9
123.04545	2.1
129.01987	4.5
133.01448	6.2
135.04539	2.5
147.03026	4.0
151.04016	1.0
153.95616	1.0
179.03522	2.2
191.01982	15.3
191.05608	1.7
209.03036	100.0
210.03365	4.8
229.83427	1.0
235.06142	2.1
259.77594	1.0
266.35626	1.0
371.09973	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	371.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46168	0.6
55.01868	1.1
57.03202	0.9
57.03452	8.9
59.01380	10.6
61.98838	0.9
69.62724	1.3
69.63107	1.3
71.01385	13.3
72.59776	0.7
72.99312	2.0
73.02943	1.4
75.00880	2.0
80.37884	0.7
84.02159	1.2
85.02957	76.5
86.03285	1.7
87.00884	5.6
89.02462	6.4
98.21957	1.4
103.00372	1.6
105.63470	0.7
119.52518	0.7
125.02451	1.2
129.01970	4.5
133.01436	6.9
135.04524	4.1
136.01567	0.8
147.03001	3.6
151.04034	1.5
161.54866	0.6
163.11559	0.7
164.42285	0.9
168.69302	0.7
169.01430	1.9
179.03508	1.3
191.00403	1.3
191.01994	14.7
191.03593	1.2
193.04996	0.8
209.03032	100.0
210.03372	4.4
219.05107	1.0
371.10104	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	371.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10141	1.4
57.03450	5.8
59.01381	4.6
62.95509	1.5
65.33241	1.2
67.01894	2.6
69.22871	3.5
69.23283	5.4
71.01395	14.8
71.39228	1.4
73.02957	4.5
80.91693	7.7
81.03475	4.7
83.01401	7.5
85.02962	6.9
87.00886	2.1
93.03465	17.5
95.01397	3.1
95.05044	4.9
97.02977	5.9
98.21878	2.9
99.00876	1.6
99.04513	4.5
99.06976	1.4
101.02458	7.2
106.18169	1.4
108.02205	5.3
109.02972	23.7
111.04552	4.0
112.61449	1.4
113.02462	6.3
121.02987	13.1
122.03761	2.5
123.04549	23.6
125.02459	25.8
126.02869	1.7
130.08734	3.5
133.02887	1.7
135.04541	5.0
137.02466	47.3
137.03520	2.8
137.06071	5.6
138.02806	1.6
139.04002	4.5
145.36011	1.6
147.03018	1.8
149.01122	1.7
149.02493	4.3
150.03230	2.3
150.06880	2.2
151.04028	11.2
152.01125	3.6
153.05602	4.7
159.03030	1.7
159.04533	2.5
161.02487	3.6
161.04591	11.5
161.06075	4.2
162.03230	2.8
163.02545	1.7
164.01166	3.1
164.08444	100.0
165.01915	4.7
165.09210	10.9
167.03532	14.4
169.01463	3.0
173.04575	41.1
173.06042	3.3
174.04918	1.8
175.04016	3.1
177.01923	1.8
179.03523	6.7
179.07092	3.0
187.04053	3.1
188.04878	3.0
191.01971	9.2
191.03560	3.3
191.05624	10.1
197.04588	9.3
202.06384	3.2
203.07182	11.5
205.05069	7.7
219.02370	3.0
221.08261	3.8
225.05325	2.1
233.03113	5.8
241.87759	1.5
243.06429	2.3
245.08244	11.9
247.02368	1.8
285.06183	1.9
289.07220	69.4
290.07523	5.6
311.05426	33.5
327.07120	3.1
329.05176	3.6
349.00143	1.6
371.06320	14.4
371.13672	4.8
371.26669	3.0
372.06198	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01378	2.2
60.99311	1.6
67.01901	5.9
69.03455	1.2
69.25427	1.1
69.25835	2.1
71.01401	2.3
73.02924	0.5
81.03463	1.0
83.01363	0.5
83.05050	1.4
85.02953	6.8
87.00882	8.4
93.03470	32.9
94.03812	0.9
97.02924	0.6
99.00875	0.7
99.04533	0.9
106.00591	0.8
109.02966	1.7
111.04542	4.6
113.02457	1.0
115.02008	0.4
121.02970	11.3
123.04560	0.9
125.02457	1.4
127.04044	1.9
129.01947	1.1
137.02483	1.3
137.06129	0.6
138.03244	0.7
147.28664	0.5
153.05615	7.5
155.03561	0.6
164.08450	4.2
167.03491	1.2
169.01448	1.2
173.04573	16.1
182.02235	0.7
191.05635	100.0
192.05943	3.8
197.04555	8.0
203.07158	0.6
209.04680	1.2
251.05678	2.3
261.00476	0.7
281.06689	1.1
289.07220	1.3
311.05283	0.6
371.09863	9.6
372.10059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55928	0.8
52.33166	0.9
55.01863	1.3
57.03455	2.5
59.01385	22.7
60.17867	1.0
62.77744	0.8
67.01893	1.2
68.86633	0.8
68.99823	3.1
69.03478	1.3
70.12440	1.8
71.01393	18.0
72.99323	5.3
73.02942	1.9
75.00875	19.8
77.23684	0.9
77.69342	0.9
85.02961	22.1
87.00898	6.4
87.32105	0.8
89.02466	4.6
93.03510	1.5
95.01389	5.4
99.00890	9.8
103.00392	2.5
111.00914	1.5
111.04539	1.2
113.01715	1.5
113.02469	22.0
115.00362	1.5
117.01955	3.1
121.02972	100.0
122.03308	3.7
129.01956	1.6
157.01474	1.3
175.02550	2.3
212.04680	0.9
217.77281	1.0
231.05122	6.2
249.06169	66.7
250.06499	3.7
258.47165	0.8
371.09863	38.8
372.10172	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	371.0986
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01884	1.3
57.03449	3.0
59.01388	21.6
69.03473	1.5
69.30409	1.9
69.30814	3.1
71.01388	16.1
72.99332	5.5
73.02953	3.4
75.00477	1.5
75.00881	19.4
83.01401	1.8
83.09766	0.8
85.02463	1.6
85.02962	26.2
87.00900	7.4
89.02454	3.9
95.01384	5.5
96.96045	0.9
98.21777	1.6
99.00899	11.9
101.02435	1.5
103.00398	3.9
105.13786	1.1
105.77734	0.9
109.09761	0.7
111.00889	2.2
113.02466	29.3
115.00362	2.7
117.01972	3.5
117.27032	0.7
121.02976	100.0
122.03326	3.7
125.02523	1.1
129.01936	1.6
131.03513	1.1
150.03242	1.1
169.05180	0.8
175.02481	2.5
193.01161	0.8
193.03568	1.8
209.04599	0.7
231.05157	2.6
249.06178	24.6
250.06496	1.2
258.98923	0.9
263.38007	0.8
353.08881	1.6
371.09869	58.4
372.10110	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	371.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00928	1.1
56.25109	1.1
58.24954	1.0
59.01394	2.0
93.03519	1.6
98.95598	1.1
99.47388	1.1
100.94672	1.0
108.02181	2.1
109.02965	66.5
110.03284	2.3
112.79512	1.0
121.02981	6.4
136.01669	23.7
145.02975	4.8
146.03737	1.4
147.04504	1.5
149.02435	2.1
151.04031	37.8
151.39153	1.1
158.03764	2.4
159.04524	15.5
160.05315	48.9
161.05682	1.7
164.04852	1.5
174.03188	1.8
175.04054	2.2
175.07657	35.3
176.04691	1.3
176.08044	2.6
189.05562	1.6
190.06479	1.6
191.07242	1.6
201.40813	1.1
211.07678	2.2
221.06068	2.0
222.06677	1.4
223.07620	2.2
238.06493	2.6
239.07133	20.4
240.07724	1.6
249.05556	3.4
250.06288	7.9
266.05872	4.8
267.06647	100.0
268.07031	8.9
281.08057	1.3
282.08994	72.6
283.09308	8.8
297.11340	74.7
298.11664	8.2
312.10040	12.7
312.25977	1.1
313.10349	1.2
327.12402	88.5
328.12723	8.8
371.11481	13.7
371.24246	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	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06505	1.0
69.28995	4.4
92.02661	0.8
93.03468	2.2
96.96006	0.8
98.21878	1.6
102.61850	1.0
108.02186	3.2
109.02962	71.3
110.03282	1.4
112.52541	0.8
119.05023	2.6
121.02965	5.6
123.00832	1.3
123.04556	1.3
124.01688	1.2
125.02518	0.9
130.07315	0.8
134.40700	0.8
136.01675	23.9
137.02480	1.0
145.02951	5.4
149.02415	2.3
151.04022	36.1
152.04231	0.9
158.03731	1.6
159.04532	13.9
159.61858	0.8
160.05310	50.0
161.05635	2.8
163.03999	2.3
164.04868	2.0
169.01414	0.9
174.03236	0.9
175.04037	2.3
175.07651	33.5
176.04710	1.0
176.07999	2.3
189.05585	2.6
191.07014	1.0
193.06509	0.8
209.06062	1.0
210.05081	0.9
211.07639	3.8
214.15358	0.9
221.06100	2.9
223.07671	2.4
238.06380	1.3
239.07140	19.6
240.07558	2.0
247.33728	0.8
249.05513	3.6
250.06392	7.6
266.05865	3.7
267.06638	100.0
268.06961	9.1
281.08209	1.5
282.08990	72.5
283.06329	1.8
283.09283	8.5
297.11334	71.2
298.11652	7.8
298.66055	1.0
311.05603	2.0
312.06592	1.8
312.09970	11.1
313.10406	1.2
326.07858	2.9
327.12384	85.0
328.12692	9.8
341.06604	1.9
355.08099	3.8
356.08917	9.8
357.09613	1.1
371.11325	19.5
371.24313	1.6
372.11511	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	371.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00016	10.7
59.01381	44.1
69.36786	58.5
71.01398	14.3
73.41293	11.2
74.99092	25.4
78.33144	12.9
81.39488	11.6
85.02938	21.8
87.00882	27.4
89.02454	16.1
93.03470	23.6
105.65218	12.0
132.19327	10.4
132.96651	11.0
137.02477	23.8
155.03523	20.3
173.04550	25.5
175.79533	12.7
179.05670	12.0
191.04056	23.9
191.05580	100.0
232.98318	22.4
240.94386	32.1
258.94287	16.3
261.28159	14.5
262.71194	12.4
282.08749	14.2
284.93600	20.5
371.07370	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	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.90460	1.5
64.66908	1.4
65.52503	1.2
69.37589	8.0
75.41226	1.4
110.30812	1.5
125.32319	1.6
166.01622	1.4
362.78470	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	371.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.42141	0.3
57.03450	0.5
59.01385	3.8
69.27606	1.7
71.01389	3.6
72.99313	0.6
73.02943	1.2
77.97712	0.3
78.56004	0.3
79.95742	14.1
80.96525	7.1
81.95367	0.4
83.01398	1.3
85.02948	1.7
87.00878	1.3
95.01408	0.5
95.95243	0.6
96.96017	100.0
97.95943	0.7
98.95602	1.1
99.00918	0.5
101.02454	4.0
113.02464	2.1
122.97594	0.5
124.01669	0.6
125.02482	0.5
137.09703	0.3
137.96315	2.0
138.97084	5.9
150.97090	1.3
161.04553	0.4
166.96579	0.7
180.98129	0.8
191.10684	0.4
222.99173	0.3
241.00246	13.2
241.02748	0.6
242.00575	0.5
298.17953	1.3
327.08694	0.5
371.13812	95.7
371.60236	0.5
371.70914	0.4
372.14166	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	371.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.42141	0.3
57.03450	0.5
59.01385	3.8
69.27606	1.7
71.01389	3.6
72.99313	0.6
73.02943	1.2
77.97712	0.3
78.56004	0.3
79.95742	14.1
80.96525	7.1
81.95367	0.4
83.01398	1.3
85.02948	1.7
87.00878	1.3
95.01408	0.5
95.95243	0.6
96.96017	100.0
97.95943	0.7
98.95602	1.1
99.00918	0.5
101.02454	4.0
113.02464	2.1
122.97594	0.5
124.01669	0.6
125.02482	0.5
137.09703	0.3
137.96315	2.0
138.97084	5.9
150.97090	1.3
161.04553	0.4
166.96579	0.7
180.98129	0.8
191.10684	0.4
222.99173	0.3
241.00246	13.2
241.02748	0.6
242.00575	0.5
298.17953	1.3
327.08694	0.5
371.13812	95.7
371.60236	0.5
371.70914	0.4
372.14166	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	371.1502
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
55.54528	0.4
59.01403	1.0
69.51340	1.0
69.51724	0.9
80.70916	0.4
81.29749	0.4
82.17603	0.5
131.36546	0.4
132.02200	4.7
133.02620	0.4
154.22990	0.5
160.01677	14.5
161.02190	0.4
166.06421	1.7
175.04092	0.9
181.08772	1.7
197.06102	2.4
209.06157	0.8
211.04005	4.5
211.07634	1.4
211.15654	0.6
212.08484	1.2
218.09541	0.6
222.06886	0.7
223.07680	0.9
224.04698	0.5
225.05627	0.7
225.09070	0.5
226.06467	1.5
226.10083	1.3
237.05646	0.9
238.06511	0.7
238.09927	0.7
239.03517	1.0
239.07140	0.7
240.07849	0.5
241.08775	1.1
242.09506	32.5
243.09836	2.5
245.08218	1.7
246.08963	3.3
250.06589	0.5
251.07249	0.9
252.07854	0.4
253.05130	1.1
253.08679	1.5
254.05835	1.3
254.09567	2.7
255.10187	0.5
256.07553	0.5
257.11859	11.5
258.12173	0.9
265.08572	0.4
266.05930	1.0
269.08246	1.2
269.11844	2.1
270.09003	20.2
270.11981	1.0
271.09329	2.1
279.06421	0.6
280.07364	1.2
281.04599	6.3
281.08203	2.1
282.08987	9.3
283.09726	2.8
284.10245	0.5
285.11349	19.0
286.08713	0.6
286.11649	2.4
295.09781	3.4
296.10565	1.7
297.07724	3.0
297.11218	1.2
298.08490	18.1
299.08826	1.4
308.07077	1.4
309.07748	2.2
310.08490	8.9
311.09238	10.9
312.09796	1.8
313.10797	8.5
314.11237	1.2
323.09302	5.2
324.09973	5.9
325.10858	13.5
325.14621	0.3
326.07990	16.2
326.11636	8.0
327.08356	2.0
327.12100	1.3
339.12424	4.9
340.09402	0.7
340.13171	6.2
341.10315	100.0
342.10635	11.6
342.13919	0.4
355.11884	1.2
356.12683	68.9
357.13058	8.7
371.15018	82.3
372.15381	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	371.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19263	0.3
57.37500	0.3
61.06892	0.3
61.90354	0.3
70.70701	0.6
71.67893	0.3
105.99414	0.3
115.17568	0.3
132.02187	5.9
160.01671	15.2
161.02028	0.4
166.06378	2.7
169.01422	0.3
175.04004	0.6
181.08693	2.1
197.06094	3.4
198.41478	0.3
200.83798	0.3
200.86484	0.4
209.06061	1.0
211.04022	4.7
211.07574	2.2
212.04472	0.4
212.08435	0.6
218.09454	0.4
223.07675	0.9
224.08620	0.4
225.05586	1.0
225.09270	0.5
226.06375	1.6
226.10043	1.4
229.08820	0.5
237.05551	1.3
238.06500	0.7
238.09973	0.4
239.03539	0.8
239.07236	0.7
240.08008	0.9
241.08797	0.8
242.09494	33.1
243.09834	2.8
245.08217	2.1
246.08975	4.0
250.06494	0.6
251.07159	1.3
252.07890	0.8
253.05186	1.2
253.08676	1.9
254.05884	0.9
254.09508	2.8
255.10031	0.4
257.11859	11.9
258.12207	0.7
265.05066	0.6
265.08609	0.4
266.05801	0.9
267.06824	0.4
267.10440	0.4
268.07266	0.6
269.08258	1.3
269.11853	2.1
270.08994	20.3
271.09430	2.1
279.06769	0.4
280.07452	1.2
281.04590	7.1
281.08151	2.4
282.05212	1.3
282.08981	9.3
283.09729	3.0
285.08179	0.7
285.11331	20.5
286.11658	2.1
287.13116	0.3
293.07993	0.4
294.08368	0.4
295.09647	3.6
296.07370	0.3
296.10425	1.8
297.07886	2.8
297.11115	0.5
298.08496	19.7
299.08844	1.7
299.68106	0.3
302.08206	0.4
308.06964	0.9
309.07675	2.2
310.08502	9.4
311.09225	9.7
312.09763	1.7
313.10846	10.3
314.11209	1.0
323.09274	6.1
324.09991	5.7
325.06927	0.6
325.10809	13.4
326.07971	17.9
326.11597	8.1
327.08301	1.7
327.12122	1.1
339.12427	4.9
340.13141	6.9
341.10318	100.0
342.10635	11.3
342.13974	0.4
355.11874	1.4
356.12689	68.9
357.13019	8.4
371.15018	80.5
372.15384	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	371.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39410	0.4
66.19111	0.4
70.71548	0.5
70.71870	0.5
71.67185	0.4
128.03099	0.4
132.02197	5.9
160.01675	14.9
161.02100	0.8
166.06377	1.8
175.17467	0.5
181.08723	1.4
193.65271	0.4
197.06078	3.3
198.03680	0.4
198.06610	0.5
209.06142	0.9
209.35262	0.4
210.06964	0.5
211.03983	4.4
211.07648	1.3
212.08397	0.9
215.07089	0.6
218.09561	0.5
222.06847	0.9
223.07660	1.4
225.05615	0.9
225.09258	0.7
226.06313	1.5
226.10005	1.4
237.05673	1.4
238.06346	1.4
239.03519	0.8
239.07124	0.6
240.07942	0.9
241.08862	0.7
242.09506	36.7
243.09837	3.2
245.08078	2.0
246.08994	3.4
251.07047	0.8
252.07834	1.0
253.05072	1.7
253.08780	2.1
254.05820	1.4
254.09431	2.8
257.11865	12.0
258.12161	1.4
264.07855	0.6
266.05792	0.8
267.06528	0.5
269.08148	1.5
269.11737	2.3
270.08994	21.6
271.09518	1.9
278.05865	0.5
279.06522	0.4
280.07452	1.5
281.04587	6.8
281.08154	2.5
282.05380	0.8
282.08997	10.1
283.09692	3.0
285.11343	20.0
286.11713	1.8
293.08157	0.7
295.09811	4.1
296.06961	0.7
296.10550	1.6
297.07675	3.6
297.11035	0.8
298.08508	17.6
299.08945	2.4
308.07162	0.9
309.07657	2.6
310.08469	10.7
311.09225	10.2
312.09729	1.0
313.10815	10.2
314.11078	1.1
323.09274	5.3
324.09955	6.3
325.06961	0.7
325.10831	13.7
326.07941	17.1
326.11597	8.8
327.08252	1.7
327.12054	1.1
339.12350	5.1
340.09311	0.7
340.13104	7.0
341.10306	100.0
341.13666	4.6
342.10663	9.1
342.14432	0.8
355.11935	1.2
356.12674	73.1
357.13031	9.1
371.15005	89.0
372.15372	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	371.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72675	0.5
52.18960	0.5
55.01883	9.2
57.03457	8.2
58.00592	0.9
59.01386	87.3
59.30634	0.5
60.01715	1.4
69.03462	1.0
69.08839	2.5
71.01389	100.0
72.01733	1.6
72.99319	1.6
73.02953	35.7
74.03272	0.8
75.00877	1.2
81.03484	1.0
83.01395	15.9
84.02191	0.8
85.02959	50.3
86.00124	0.9
86.61358	0.6
87.00890	4.7
89.02454	29.1
90.02806	0.5
95.01414	7.5
97.02951	3.4
99.00888	11.9
101.02455	87.2
102.02803	2.5
108.56489	0.5
111.00893	1.7
113.02462	46.7
114.02791	1.2
119.03522	10.5
119.17473	0.6
120.03855	0.6
121.02982	1.1
125.02454	3.2
127.61411	0.5
129.01984	1.6
131.03561	0.7
137.09750	1.3
141.01920	0.5
143.03506	4.9
149.09796	0.9
159.03026	11.4
161.04582	48.8
162.04913	2.3
179.05629	1.2
205.03500	0.8
209.15469	9.2
210.15794	1.6
304.08630	0.7
341.10388	1.2
371.13120	1.2
371.20752	40.8
372.21124	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	372.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63947	0.6
54.91737	0.6
58.02983	0.8
59.01390	1.7
69.03451	1.3
78.95886	0.6
82.02991	11.1
84.04558	5.8
85.02979	3.7
86.06126	1.1
87.00822	1.0
96.04561	10.5
96.96984	0.7
97.02946	1.2
98.02477	1.0
98.06129	4.1
101.07246	1.1
102.05638	1.3
106.91255	0.6
108.04550	1.0
108.71523	0.6
109.04073	3.4
109.07755	1.1
110.00082	1.0
110.02466	0.7
111.00957	0.9
112.04065	1.3
123.05684	0.9
125.02460	2.5
125.03518	1.1
126.98901	0.8
127.05148	13.6
127.99011	2.5
128.03558	100.0
128.98634	1.9
129.01949	1.4
129.03891	2.8
134.06168	1.4
137.07172	0.9
137.99629	1.3
145.06213	20.0
146.06325	0.9
149.07195	0.8
150.05635	1.0
151.08797	1.6
153.01965	7.9
153.06674	1.2
163.08813	1.4
167.03488	1.2
168.04329	4.6
169.01437	2.7
169.05119	1.7
169.09865	0.8
179.99826	0.7
190.05113	0.7
193.04991	0.8
194.09383	2.0
195.07768	2.3
207.07744	1.2
207.40504	0.6
210.07843	0.9
212.10492	1.1
213.08786	3.6
225.08852	1.5
238.08473	1.6
239.06754	3.5
243.09885	36.3
244.10291	2.0
251.06807	0.7
252.07027	1.1
256.09445	3.4
268.06903	0.9
285.98041	2.9
286.97607	1.2
310.14240	1.1
311.12573	1.4
336.12033	3.9
354.13113	12.2
355.13190	1.2
372.09879	1.3
372.14227	17.4
373.14444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43911	50.1
61.98834	90.8
69.92634	100.0
104.88254	56.2
159.73193	50.9
240.45868	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60310	100.0
86.11558	39.3
93.48894	33.3
98.22601	82.7
108.80146	38.0
117.29006	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99940	1.3
59.01401	1.4
61.98872	1.3
79.95763	1.5
91.65614	1.2
96.05632	1.2
108.30772	1.3
126.23584	1.3
128.88281	1.0
149.27463	1.2
157.91125	1.3
160.01683	2.2
161.18350	1.3
184.98886	1.4
216.00700	2.6
244.00160	5.0
244.80829	1.3
256.97269	2.0
270.98746	2.4
284.96835	21.5
285.97122	2.3
298.98483	1.4
299.99173	13.0
312.96307	46.4
313.96658	4.1
315.01514	2.6
327.98621	66.0
328.98904	4.6
343.00967	100.0
344.01398	9.5
358.03336	77.5
359.03619	10.0
373.05655	38.9
373.10452	1.5
374.05826	4.1
387.11655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87186	0.7
55.62570	0.7
55.98044	0.7
59.01366	0.8
63.16777	0.7
69.03455	2.0
95.01406	5.4
97.02927	1.3
107.01399	25.1
108.01768	1.0
111.42635	0.8
116.81397	0.8
121.02910	0.9
123.00902	24.3
124.01180	1.0
151.00385	100.0
152.00716	3.7
168.57309	0.6
169.01445	72.5
170.01796	3.4
183.02998	77.7
184.03314	3.0
202.02736	1.7
202.49644	0.7
209.00893	0.9
213.09283	0.9
214.02747	1.3
241.08731	1.1
257.08322	0.9
258.01672	2.4
266.91745	0.9
268.03952	1.0
269.08069	1.7
284.03217	0.9
285.07745	1.7
286.01224	6.2
295.06195	0.9
297.07565	3.4
308.03317	1.3
311.01956	1.6
313.07187	3.6
323.05573	1.3
325.03690	1.6
326.04276	1.1
341.06683	48.3
342.06949	4.8
373.09393	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	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.0
61.98827	1.7
69.06481	3.0
71.01382	0.6
79.72092	0.4
82.00606	1.8
85.02927	1.9
110.00110	7.4
111.00847	0.5
111.08574	0.4
113.02448	1.9
123.00941	0.5
124.01655	0.8
125.02464	6.4
136.01625	0.5
137.02498	0.4
137.99596	8.4
138.03275	0.4
139.00388	6.9
140.01118	0.9
151.00331	0.4
152.00127	0.4
152.01151	2.5
153.01950	100.0
154.02731	9.8
155.03467	1.6
166.02679	0.7
167.03513	7.0
168.04295	50.8
169.01440	1.2
169.05063	21.8
170.05383	0.9
178.02547	0.4
179.03508	0.9
181.05135	0.4
211.05994	0.6
263.01053	0.4
285.43106	0.4
333.61914	0.4
373.07410	0.5
373.11584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56039	0.9
57.14394	1.1
59.01384	100.0
60.01704	1.1
69.23696	5.0
71.01395	4.3
73.02951	1.9
79.86736	0.9
83.01396	1.5
85.02961	3.0
86.07137	0.9
91.01901	3.1
93.03470	2.6
96.96015	3.2
98.22728	1.9
101.02474	3.2
109.03004	1.1
111.00843	1.1
113.02468	1.5
117.50184	0.8
121.02956	4.0
123.00909	2.2
123.04524	1.4
124.01644	1.3
125.02426	6.4
135.04605	1.5
137.02446	3.6
151.04013	50.3
152.04359	2.2
156.56174	0.9
159.04453	1.5
160.01660	2.0
161.04572	3.3
169.01443	5.9
179.27257	0.9
189.01987	1.4
211.02481	1.4
229.01537	1.1
241.05347	1.2
259.99588	7.6
261.00320	1.0
271.02057	1.1
271.04785	1.5
276.02756	3.5
288.23203	1.0
351.07172	1.3
358.06708	2.3
373.08783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03439	0.5
59.01385	5.7
62.80538	0.5
67.01900	0.8
69.03446	0.7
69.38638	1.7
71.01388	4.0
71.76122	0.4
73.02950	1.9
74.18539	0.4
78.01107	0.8
79.01897	1.4
81.03471	0.6
83.01385	2.3
85.02940	3.0
85.64690	0.4
86.00114	0.7
89.02435	0.5
95.01389	2.6
97.02944	0.5
99.00886	0.9
101.02448	6.2
107.01398	4.7
109.02940	0.6
111.00914	2.5
111.01553	0.4
113.02441	2.4
121.02949	0.6
123.00900	18.9
124.01678	17.6
125.02469	15.0
126.02786	0.8
127.00388	0.8
127.75850	0.5
136.98825	1.5
137.99171	0.5
139.00391	3.4
140.01187	3.5
141.01974	3.2
151.00378	13.6
151.03952	0.5
153.01907	1.0
163.04047	0.4
168.00641	5.1
169.01436	18.1
170.01794	0.6
259.99646	0.8
295.06146	0.6
310.08533	0.6
313.05765	1.3
373.11420	100.0
374.11755	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03440	0.4
59.01382	6.1
67.01891	0.8
69.03458	0.6
69.11122	1.4
71.01389	6.3
72.99307	0.8
73.02953	2.4
78.01108	0.7
79.01888	1.1
79.22653	0.3
81.03471	0.3
82.00594	0.6
83.01397	1.9
85.02953	3.6
86.00102	0.4
87.00865	0.6
89.02465	0.9
93.88509	0.2
95.01385	2.3
96.96011	0.4
97.02958	1.0
98.21899	0.7
99.00880	0.9
101.02450	5.1
106.00613	0.3
107.01396	4.0
109.03017	0.3
110.00101	0.4
111.00883	2.6
113.02460	2.2
115.00341	0.5
119.03540	0.3
123.00897	17.2
124.01681	17.5
125.02469	14.3
126.02800	0.5
127.00400	1.1
136.98811	1.7
137.02380	0.3
139.00386	3.7
140.01186	3.2
141.01941	3.1
144.09828	0.3
151.00378	12.3
151.03995	0.6
152.00735	0.5
153.01930	0.9
161.04507	0.2
163.04037	0.5
167.03502	0.3
167.99210	0.2
168.00655	5.3
169.01439	17.1
170.01787	0.8
181.05147	0.3
211.02509	0.5
259.99429	0.2
283.07129	0.2
295.06296	0.4
311.26688	0.3
313.05716	0.9
325.10892	0.3
373.11414	100.0
374.11737	10.6
382.48059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.01884	0.8
57.03442	0.4
59.01387	4.5
65.00307	0.3
67.01904	0.5
69.03448	0.7
69.84966	0.6
69.85321	0.7
71.01389	4.3
73.02950	1.7
77.58023	0.4
79.01903	1.0
82.00576	0.4
83.01382	1.8
85.02949	2.5
90.02725	0.3
95.01395	1.9
96.99326	0.4
97.02953	1.1
98.21935	0.6
99.00887	0.8
101.02454	5.5
105.01649	0.3
107.01403	2.9
110.00155	0.3
111.00962	1.9
111.01550	0.4
113.02482	1.8
123.00898	17.4
124.01678	16.9
125.02473	11.5
126.02867	0.6
127.00398	0.6
131.82968	0.3
136.98805	1.3
139.00374	2.7
140.01204	2.5
141.01965	3.0
151.00386	12.5
151.04022	0.4
153.01845	0.7
161.04562	0.6
163.04106	0.5
168.00652	5.2
169.01443	15.4
170.01787	0.8
181.05162	0.6
211.02457	0.6
227.39458	0.4
313.05661	0.8
373.11417	100.0
374.11755	9.2
374.15167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63515	0.4
59.01385	3.6
62.98452	0.4
69.59814	0.4
69.60140	1.9
82.00611	2.4
85.02952	1.8
105.09120	0.4
110.00108	7.6
111.00912	0.7
113.02470	1.8
124.01670	0.9
125.02457	6.8
126.02719	0.4
127.75959	0.4
137.99606	8.9
138.03194	0.7
139.00386	6.6
140.01219	0.5
148.88310	0.4
152.01166	2.2
153.01949	100.0
154.02737	10.0
155.03552	2.0
155.43274	0.5
164.01195	0.5
165.05739	0.5
166.02690	0.7
167.03519	6.6
168.04292	48.9
169.01443	1.2
169.05066	21.8
170.05521	0.5
179.03484	0.9
181.40372	0.4
189.01947	0.5
191.03462	0.7
209.04631	0.8
221.04520	0.6
223.17249	0.4
265.10126	0.5
281.06750	1.0
362.08179	0.5
373.07385	0.8
373.11481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15184	0.5
59.01176	0.5
59.01390	5.5
71.01389	1.7
71.39500	0.8
72.99322	0.7
78.95931	0.8
82.00618	1.9
85.02957	2.9
86.79060	0.5
87.00874	1.3
89.02453	0.9
93.03471	0.6
94.94155	0.5
95.01438	0.6
96.97018	0.7
97.02958	0.7
104.10944	0.5
108.02222	1.0
109.51708	0.5
110.00099	7.8
111.00915	1.4
113.02464	1.8
122.03750	0.5
123.00893	0.6
125.02462	9.9
128.03569	0.7
137.02466	0.6
137.99614	10.4
138.03311	0.7
139.00395	6.5
140.01073	0.7
150.03191	0.6
151.00424	0.9
151.04030	0.7
152.01146	2.1
153.01958	100.0
154.02740	9.7
155.03500	1.6
165.01936	0.8
166.02713	0.8
166.06259	0.5
167.03510	7.6
168.04305	51.9
169.01457	5.9
169.05086	21.6
170.05397	0.7
178.02646	0.7
181.05072	0.9
193.05074	1.3
211.06145	1.2
214.98723	0.6
270.10599	0.6
281.06491	0.7
313.09482	0.9
330.98257	0.8
343.10178	0.9
346.01462	0.7
373.11392	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	373.1295
Annotation	(2S)-5,6,7,3',4'-Pentamethoxyflavanone
Peak:m/z	Relative Intensity
51.01320	0.9
56.01857	1.1
71.44522	1.0
87.04549	1.4
97.49505	1.2
112.38700	1.0
115.92005	1.1
124.01683	3.8
136.01619	1.1
137.02437	1.8
189.50243	1.1
191.07161	3.0
211.13521	1.3
212.04790	1.4
243.50035	1.4
256.03760	1.2
259.09790	2.2
268.03534	1.2
269.04489	1.5
269.08139	2.3
270.05447	3.2
270.08719	1.3
271.09845	1.9
282.05405	3.0
284.06808	1.1
285.07739	10.4
286.08347	1.4
287.09302	3.1
297.07727	3.5
298.04947	7.0
299.09262	2.0
312.06616	1.4
313.07217	14.7
313.10739	1.8
314.07721	5.3
315.08676	4.2
325.07251	1.5
327.08633	2.6
328.09528	21.9
329.10223	7.9
329.26877	1.3
339.08731	3.8
340.09464	3.3
342.07504	6.2
343.08188	11.8
343.11942	4.3
357.09814	29.6
358.10577	81.6
359.10907	9.7
373.12936	100.0
373.25900	9.1
374.13168	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	373.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.4
68.69043	1.8
68.99829	20.7
71.01385	3.4
74.99113	3.9
75.00829	2.2
79.47961	1.8
85.02969	2.9
89.02480	3.6
95.01402	1.9
107.01392	3.0
108.02186	58.4
109.02980	11.7
111.00870	2.7
113.02489	2.1
117.97321	2.6
121.02993	6.3
122.03766	6.7
123.00910	18.3
123.04536	46.2
124.01682	5.2
124.66979	1.7
125.02473	3.8
128.52586	1.8
128.98242	2.3
132.02162	7.8
135.00868	2.8
135.98410	3.7
136.01680	5.2
136.99118	2.9
138.03232	17.9
146.03766	35.0
147.04535	13.5
148.01682	7.6
149.02487	4.4
150.03204	30.6
153.05577	3.5
159.04419	2.4
160.01712	3.2
161.02464	12.9
161.06073	10.0
162.03255	26.6
163.04016	13.5
164.04816	27.2
165.02016	2.1
165.05484	3.3
169.01469	3.0
173.02440	3.0
174.03174	3.5
177.05595	41.1
178.02733	70.5
178.05910	3.3
179.03409	8.1
179.07150	43.4
183.11789	2.5
188.04781	5.8
193.05074	100.0
194.05730	12.5
203.07286	3.7
219.06624	6.9
221.09657	4.2
231.06705	3.3
243.10091	2.7
244.09990	2.6
249.07674	4.6
253.14380	2.4
255.13977	3.1
259.12302	2.6
273.15057	15.9
298.08527	13.9
300.08948	3.8
310.08298	2.8
313.10828	32.5
314.11102	4.5
325.10532	7.5
326.11142	2.7
327.11545	3.1
328.08722	5.4
342.10544	5.1
343.11362	32.6
358.13440	17.8
373.12500	57.0
373.19791	23.7
374.13129	6.8
374.20532	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	373.1508
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
55.01884	4.6
57.03455	3.7
59.01386	38.8
60.16295	0.5
64.68329	0.6
69.03453	2.2
69.09229	1.2
69.09628	3.4
71.01388	78.3
72.01723	0.6
72.99316	1.6
73.02953	25.4
74.03296	0.5
75.00872	1.1
81.03458	0.8
83.01389	9.9
84.02182	0.6
85.02958	32.3
87.00896	2.8
89.02455	12.1
95.01398	6.4
97.02961	2.4
99.00889	9.3
99.04542	0.6
101.02450	49.1
102.02813	1.3
104.57587	0.5
110.00099	0.8
111.00916	0.5
113.02464	33.3
119.03508	3.0
119.08660	3.4
121.06590	1.6
123.00918	0.9
124.01694	0.8
125.02457	5.4
129.01958	1.3
132.96483	0.5
135.04518	0.8
135.08182	1.7
136.01634	0.8
137.02469	0.7
137.09720	5.2
137.99586	0.7
139.00395	1.2
143.03514	5.4
149.02420	0.6
151.04027	1.3
153.01947	12.8
154.02664	0.6
159.03009	9.8
161.04573	66.3
162.04930	2.4
163.07632	1.3
167.03551	1.3
168.00650	0.9
168.04333	5.2
169.01480	2.8
169.05078	3.3
171.96545	0.6
179.03484	0.9
179.05667	0.7
181.08719	100.0
182.09016	6.1
193.01495	1.2
193.08598	0.6
205.03488	0.7
211.02736	0.7
227.32356	0.5
301.00064	0.7
343.13919	0.7
355.13956	1.1
373.07855	2.8
373.15067	26.1
374.15347	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.6
55.93690	0.6
59.01384	100.0
60.01721	1.0
61.52216	0.6
69.21788	3.3
71.01384	4.2
73.02957	1.3
73.12395	0.5
75.42925	0.5
75.85133	0.5
75.96923	0.5
85.02953	1.4
89.02480	1.8
98.42397	0.6
101.02460	2.3
113.02504	1.9
119.03455	0.7
119.87604	0.6
132.04652	0.6
132.46904	0.6
142.34497	0.6
147.04605	1.0
161.04636	1.0
163.19426	0.6
175.07710	1.9
180.01674	0.6
187.04047	0.7
189.05640	0.6
203.07289	1.2
223.74969	0.6
238.39835	0.6
241.08492	1.3
259.99728	0.7
273.15094	0.9
283.06100	1.0
295.06039	1.9
313.07001	3.2
313.10583	1.2
315.53030	0.7
316.02988	0.6
373.09158	2.5
373.13400	1.3
373.19824	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30732	0.7
55.01877	1.6
57.03447	1.2
59.01385	100.0
60.01724	1.2
62.85806	0.9
69.03462	1.0
69.90274	2.3
71.01385	29.6
73.02956	11.6
82.97248	0.8
83.01394	5.2
84.02200	0.9
85.02957	12.9
87.00887	1.3
89.02438	6.2
91.65773	0.7
95.01394	1.5
99.00892	2.7
101.02457	19.5
106.34243	0.7
113.02451	12.5
119.03522	2.6
126.23950	0.8
159.02979	2.1
161.04575	8.1
211.17027	1.8
245.94223	0.9
259.99637	3.6
276.02859	3.2
358.06976	1.5
373.22360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03444	0.4
59.01383	100.0
60.01719	1.5
60.48376	0.4
65.18329	0.4
69.44529	0.4
71.01382	4.6
73.02962	2.5
83.01398	1.1
85.02974	1.4
89.02454	2.2
95.01392	0.5
99.00932	0.5
101.02433	3.7
108.04568	0.6
111.00910	0.6
113.02455	2.1
114.47875	0.4
115.58482	0.4
119.03524	1.0
123.04563	0.5
125.02464	0.7
136.01727	0.4
142.39151	0.4
145.02966	0.5
160.01692	0.7
161.04582	1.2
169.01410	0.6
174.03241	0.5
181.56792	0.4
187.04132	0.4
188.01199	0.5
217.40506	0.4
238.94725	0.4
241.08597	0.5
259.99713	1.3
276.02872	0.8
287.09039	0.4
303.69031	0.4
313.10962	1.0
313.16638	0.4
315.52832	1.1
331.17706	0.7
373.08453	3.0
373.12738	0.8
374.09494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.87201	0.8
55.01884	1.8
57.03459	1.1
58.00599	1.0
59.01387	100.0
60.01741	0.8
68.81734	0.8
71.01394	40.4
71.01793	1.9
72.30962	0.8
72.99319	1.4
73.02962	2.6
83.01405	2.8
85.02956	8.3
87.00888	5.3
89.02454	48.7
95.01392	2.7
101.01797	1.7
101.02459	30.2
113.02467	15.8
115.00395	1.5
116.55490	0.9
119.03521	25.4
121.02979	1.0
124.01652	3.2
125.02465	3.4
131.03539	2.1
133.01448	3.1
135.04585	0.9
139.00362	0.8
143.03522	2.3
149.04610	1.1
150.05646	1.0
151.00369	0.8
161.04584	2.7
162.05583	2.3
163.03984	1.0
168.00687	1.1
169.01439	4.6
179.05583	2.5
180.06750	1.3
184.05199	1.1
190.10104	0.8
193.12354	5.6
213.09171	4.9
218.09467	2.3
231.02791	0.8
231.10350	3.2
234.46910	0.8
250.08508	1.2
257.08224	5.2
259.99670	1.2
282.05664	1.1
298.06903	10.3
299.14017	0.9
313.06842	2.4
313.10638	1.0
373.09070	3.4
373.13550	1.9
373.18665	23.5
373.25708	4.2
374.19006	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	373.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.7
61.98830	2.1
69.16769	7.9
70.34035	1.3
71.85227	1.1
89.19265	1.3
93.03463	1.9
95.43742	1.3
150.10530	2.0
163.11305	1.9
165.12872	26.4
166.13271	1.7
177.12787	1.5
244.10803	4.2
247.20673	13.1
273.18625	5.1
291.19690	100.0
292.20047	10.6
313.17795	11.2
373.20114	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	373.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.1
55.33728	0.4
57.03456	7.0
58.00592	0.6
59.01385	59.6
60.01725	0.6
67.01892	0.5
69.03448	1.9
70.20837	0.3
71.01389	100.0
71.41180	0.4
72.01740	1.7
72.99316	1.7
73.02954	35.5
74.03298	0.9
75.00887	1.7
81.03471	0.4
83.01396	14.1
84.02177	0.9
85.02959	45.6
85.75234	0.4
86.00115	1.1
86.03300	0.8
87.00884	4.0
89.02457	17.5
89.58019	0.3
95.01395	7.1
97.02982	2.5
99.00890	11.8
100.81196	0.5
101.02456	69.4
102.02788	1.5
111.00897	0.9
113.02462	44.8
114.02810	0.9
119.03513	5.7
123.00911	0.6
125.02464	3.2
129.01949	1.9
131.03511	0.8
134.05185	0.4
139.11320	0.8
143.03525	3.9
159.03017	8.7
161.04576	34.5
162.04887	0.9
167.03568	0.7
168.00797	0.4
169.01466	0.8
179.05589	0.5
211.17053	6.9
212.17175	0.4
221.09743	0.7
229.23958	0.4
243.12383	0.4
259.99612	1.1
273.14905	1.0
297.06104	0.5
313.06790	0.4
316.02768	0.6
364.06348	0.5
373.08942	0.5
373.22852	4.7
374.22559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11275	20.0
57.62183	19.7
59.01378	100.0
62.79552	25.8
67.74363	21.8
69.71396	20.7
77.34469	22.5
85.02937	71.1
103.61633	21.0
110.49734	24.0
120.96697	22.9
129.95331	23.7
139.04138	24.0
140.97221	26.5
151.03960	53.8
153.02457	20.4
168.05153	23.5
169.01456	26.6
172.61858	26.6
173.72806	23.7
174.99232	29.5
190.98843	29.1
217.00310	56.1
283.83383	24.3
345.13571	27.3
368.13217	27.7
374.13113	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	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	99.5
59.69410	10.9
69.27496	21.0
69.27885	34.2
71.01367	25.3
73.02971	11.8
81.53103	10.7
85.02953	12.6
95.70490	11.1
98.22617	22.9
101.02467	20.3
109.58060	13.2
113.02434	15.8
131.39229	11.9
152.94981	14.0
217.00395	28.2
298.00833	16.5
373.25958	15.3
374.26276	34.8
375.20175	19.0
375.27640	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	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.93462	6.8
69.36775	19.6
69.37176	18.1
71.01390	11.5
76.84079	6.6
82.17760	7.9
101.02447	10.3
105.48338	7.7
173.03090	7.5
217.00323	14.8
225.01302	8.0
301.81396	7.5
374.26337	20.1
375.27414	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
59.01388	7.6
61.31122	0.9
69.45216	4.2
71.01388	1.1
87.04499	1.3
94.41965	0.9
143.56720	0.8
157.12375	1.5
166.55359	1.0
169.01311	0.9
180.09500	0.9
185.11787	2.3
215.12869	1.4
326.97189	1.0
329.23285	2.3
339.25449	1.1
357.26492	3.0
373.25925	4.0
374.26248	2.0
375.27524	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	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54542	0.2
53.85164	0.2
57.12376	0.2
59.01380	0.6
61.12843	0.3
81.87066	0.2
99.80297	0.2
101.06075	1.3
103.64017	0.2
124.07666	0.4
148.05162	0.3
165.10364	0.4
169.06648	0.3
174.99261	0.3
187.10193	0.2
189.10405	0.4
214.74631	0.2
217.00351	0.7
232.10919	10.9
233.11296	0.7
233.91830	0.2
260.10590	0.3
272.17609	0.4
273.15933	0.3
289.18039	1.6
290.18716	2.9
316.16559	1.7
318.18314	0.5
358.21545	1.1
374.24500	100.0
375.24841	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	374.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82880	0.4
53.65856	0.3
59.01383	72.1
59.67789	0.3
60.01698	0.5
70.84280	0.8
82.38505	0.4
90.97129	0.4
98.21998	0.4
105.85635	0.4
122.79531	0.3
130.40115	0.4
132.98213	2.3
164.43204	0.4
170.70108	0.4
174.99257	30.9
175.99596	1.0
195.12227	0.4
201.02576	0.6
217.00308	100.0
218.00606	3.4
241.16017	0.4
260.78857	0.4
374.99225	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	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80109	0.9
59.01120	1.5
59.01389	16.2
62.12216	1.0
69.61078	2.5
69.61478	2.0
71.01383	4.1
71.90027	1.1
73.02956	1.7
81.66584	0.9
85.02960	2.0
87.00900	4.2
98.21999	1.4
101.02469	3.3
117.03485	1.1
121.02987	4.1
122.03723	1.2
128.22896	1.0
145.02968	3.6
146.03793	1.1
147.04587	1.6
149.02460	42.4
150.03252	55.5
153.05562	2.2
161.02440	2.9
161.04581	2.9
162.03220	4.1
164.04816	18.1
165.05592	100.0
166.05954	4.8
174.99251	4.5
177.05511	1.5
180.04295	4.3
195.06642	20.2
196.06911	1.7
198.59531	1.2
217.00325	12.3
242.61499	1.1
266.38675	1.1
270.47791	1.2
327.10791	4.8
354.37125	1.3
367.27911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98821	2.1
69.70147	2.0
71.01387	35.1
72.99296	2.3
73.02957	1.9
78.95943	2.4
85.02971	7.5
87.00890	5.1
89.02457	41.9
95.01394	3.4
101.02448	18.9
107.53461	2.1
108.02138	3.1
113.02473	14.1
117.03455	7.2
119.03516	14.7
119.05038	2.8
121.02992	3.2
122.03758	2.6
125.02496	3.8
133.02982	2.5
143.03519	2.7
145.02977	30.0
146.03706	7.9
147.04514	7.4
149.02449	19.6
150.03255	27.2
161.02461	20.7
161.04533	4.7
162.03238	36.7
163.03883	2.3
164.04813	8.4
165.05583	47.9
174.99255	24.3
177.05568	19.6
179.05612	4.7
180.04410	9.1
195.06631	24.0
201.02577	3.1
217.00319	78.8
218.00629	3.1
258.12106	2.0
275.02155	2.3
327.10962	2.8
374.99054	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	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
71.01405	1.1
93.03476	5.2
95.01389	1.6
95.05040	0.8
121.02960	16.1
122.03772	11.2
123.00849	0.9
123.64884	0.9
124.01637	0.9
125.02402	2.4
126.15606	0.9
136.01605	0.9
137.02484	2.1
146.03754	7.2
147.04536	2.8
149.02454	100.0
150.03242	57.4
151.03621	2.7
161.06119	1.5
164.04794	20.4
165.05582	63.5
166.05962	2.3
169.01450	2.8
179.07161	6.8
180.04294	3.6
195.06641	24.2
196.06976	1.3
216.79536	0.9
217.00230	2.6
228.33076	0.7
259.99722	1.3
268.07471	0.9
269.08182	1.2
275.02078	1.2
281.08463	1.1
283.09729	2.8
300.99948	2.2
312.10052	24.4
313.10306	3.0
315.17169	2.0
327.12387	68.7
328.12787	8.2
345.82608	0.9
367.55652	1.0
376.04346	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	375.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83675	1.5
55.22438	1.8
59.01385	12.7
72.85968	1.6
77.33327	1.9
80.63840	1.6
93.03462	3.6
94.34879	1.6
108.02202	2.5
109.02975	2.0
121.02972	7.2
122.03748	14.7
123.00879	3.9
125.02490	2.9
133.02921	2.3
136.01654	4.5
145.02876	2.0
145.96854	1.7
146.03722	8.0
148.83487	1.8
149.02461	24.2
150.03241	86.4
151.03833	5.9
161.06082	2.4
164.04829	11.2
165.05594	100.0
166.05940	5.9
169.01407	3.3
174.99239	2.3
176.04655	2.2
177.02037	2.0
179.07158	9.6
180.04272	5.2
195.05000	3.0
195.06654	37.5
196.07027	3.3
217.00374	8.1
224.46422	2.0
229.12718	4.2
267.06763	2.7
297.11298	2.2
301.00003	2.5
312.06601	1.8
312.10031	5.5
327.12457	21.8
328.12836	2.8
330.11133	2.0
345.13397	6.3
375.14529	8.2
375.19974	2.2
376.17847	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.5
55.56091	0.7
55.57254	0.8
57.03464	5.4
57.16864	0.7
58.00593	1.9
58.00922	0.7
59.01385	98.5
60.01726	1.2
69.03471	1.4
71.01389	55.5
71.40431	1.0
72.99306	2.3
73.02954	12.8
82.44852	0.8
83.01399	10.4
85.02958	23.8
86.00121	1.7
87.00895	4.1
89.02454	40.0
89.82668	0.7
95.01411	6.2
97.02979	0.8
97.06635	1.3
99.00904	5.2
101.02453	44.7
102.02798	0.9
106.04327	0.9
107.01373	0.9
109.02996	1.3
111.00880	1.8
113.02462	22.4
119.02664	1.0
119.03520	20.5
119.04970	3.7
123.00905	1.8
123.04547	1.1
124.01705	0.9
125.02454	6.0
125.06069	1.2
129.01935	1.1
131.03520	1.9
131.05074	0.8
133.02982	1.2
135.04532	2.0
136.98898	0.8
143.03505	3.0
145.02931	2.3
149.02486	3.1
149.04622	1.0
150.03288	2.0
151.00410	1.1
159.03046	1.4
159.04504	2.3
160.01715	1.3
161.02460	3.8
161.04558	7.0
161.05786	1.2
163.04079	0.8
165.05559	2.1
169.01462	4.7
169.12419	2.0
175.04045	1.4
176.01213	1.8
177.01938	0.8
177.09229	10.3
179.03621	1.0
179.05609	4.9
181.05127	1.2
187.00310	0.9
187.04025	1.8
187.07629	1.9
188.01196	1.2
189.01930	4.5
189.05609	1.3
190.02673	1.0
190.99927	0.9
191.03561	0.9
195.10324	2.6
199.00702	1.0
199.07732	1.8
201.01984	1.1
203.03531	1.2
205.01448	1.5
212.08447	1.4
213.01675	0.9
213.11330	1.6
215.00105	1.3
216.00540	1.9
217.08656	5.1
218.99443	1.0
229.01451	1.8
231.06596	1.5
233.00925	1.3
233.04561	1.1
245.01015	1.0
247.02176	0.9
255.08937	6.2
257.04691	1.2
259.06262	1.5
259.99677	6.2
260.02115	0.8
260.02966	0.8
261.00479	1.7
261.07721	1.0
271.06186	2.4
275.02060	2.2
283.12057	1.0
287.05618	1.8
288.06390	2.4
297.11273	1.9
299.05951	1.2
300.01886	0.9
301.00104	3.7
303.08707	1.0
314.07675	0.9
327.12204	1.0
331.08258	8.8
331.17493	1.3
332.09079	4.6
337.05640	1.7
357.06198	1.5
357.15582	30.7
358.15994	1.9
362.02722	3.7
375.07642	6.3
375.16644	100.0
376.02908	1.4
376.07935	3.6
376.17026	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	375.179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.6
69.55064	3.2
71.01392	11.5
80.91701	2.2
88.00532	0.8
92.63434	0.8
99.92609	4.5
146.25816	0.9
164.08435	1.0
174.99255	2.7
177.09206	3.4
190.10027	1.8
192.11606	7.5
205.12363	2.5
217.00333	11.1
218.09476	2.2
220.14696	37.6
221.15474	100.0
222.15814	8.5
229.16068	1.2
231.17532	1.9
236.10559	98.5
237.10947	7.5
257.28134	0.9
258.08701	1.0
264.08508	1.0
293.17612	39.1
294.17880	3.6
318.09512	5.3
321.15491	2.2
358.08746	4.0
375.17865	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77267	0.6
70.65749	1.0
74.99084	2.9
93.00125	1.3
100.48995	0.6
149.00932	1.0
154.29985	0.5
159.08488	11.6
161.06415	2.8
203.55812	0.6
209.01266	2.6
217.07225	1.3
258.75415	0.6
275.06180	0.8
277.07452	2.4
278.67294	0.6
289.07605	2.6
291.09134	100.0
292.09280	12.9
302.40988	0.6
309.10153	1.0
357.13803	2.4
359.15390	99.8
360.15527	18.0
375.18481	7.0
377.16507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48269	0.7
54.64904	0.7
69.71338	1.9
74.04814	0.8
74.99075	3.6
79.84908	0.8
89.84514	0.7
98.21936	1.4
115.12770	0.9
129.91190	0.9
149.00937	1.1
159.08490	14.0
161.06409	3.5
209.01311	3.1
217.07216	1.8
277.07581	3.1
289.07364	2.2
291.09134	98.6
292.09286	14.3
357.13696	2.1
359.15396	100.0
360.15582	17.7
375.18649	5.5
376.18463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96180	0.5
57.03444	1.0
59.01385	100.0
59.80628	0.5
60.01728	1.2
70.87544	0.5
71.01387	3.9
73.02955	0.9
83.01393	0.7
85.02980	1.3
89.02473	1.9
99.00919	0.7
101.02453	2.9
113.02498	1.8
119.03551	0.8
123.00927	0.7
125.02504	1.9
129.36293	0.6
140.06395	0.5
161.04601	2.4
169.01419	1.6
174.99229	0.9
195.13948	0.6
217.00345	3.1
269.21338	0.9
271.19394	0.8
306.55481	0.6
339.99307	0.6
350.98126	0.5
357.27048	0.8
375.11896	1.4
375.20419	1.0
375.27621	12.2
376.14658	0.6
376.28040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
59.01387	64.2
60.01715	1.5
61.53526	0.8
61.79106	0.8
65.37778	0.9
71.01392	26.6
73.02943	1.7
78.99354	0.8
83.01390	2.7
85.02968	6.2
87.00854	1.2
89.01936	1.7
89.02455	23.2
95.01389	2.5
101.02460	15.3
107.01427	1.2
113.02465	9.2
119.03537	5.3
123.00945	1.1
124.01711	0.9
125.02462	3.0
144.97856	0.9
169.01448	2.9
174.99272	3.6
195.13918	11.5
213.14984	3.3
217.00302	13.3
222.54100	1.0
247.66309	1.0
298.56644	2.2
299.06610	1.3
375.20264	100.0
375.27017	5.8
376.20660	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43612	0.5
52.02403	0.5
57.03459	1.1
59.01385	100.0
60.01725	0.7
69.03466	0.6
69.50020	0.5
71.01388	4.8
73.02956	1.3
79.95750	1.1
80.96525	4.1
85.02975	1.5
89.02482	1.4
94.98119	1.0
98.21887	1.2
101.02446	3.0
104.46659	0.6
109.11205	0.5
113.02480	1.6
125.02497	1.2
159.03059	0.8
161.04546	2.7
164.98608	0.7
169.01445	0.8
181.27827	0.6
185.11867	1.4
194.52434	0.7
213.09128	0.5
217.00420	1.9
221.12015	1.0
225.00784	1.1
235.97849	0.6
271.19147	1.1
353.14465	1.3
375.14142	1.0
375.20416	1.3
375.27545	11.6
376.27783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27632	1.3
59.01384	26.4
64.60340	1.2
69.29160	3.3
69.29568	3.8
88.65662	1.3
89.51745	1.2
95.05036	36.4
96.05350	1.5
98.21870	3.0
99.92578	3.8
135.65216	1.4
167.10811	1.7
174.99243	1.7
177.75310	1.3
189.05409	1.7
195.13930	12.0
217.00343	4.7
223.13408	10.7
246.12370	31.2
250.10559	1.3
256.13107	3.2
275.20102	4.2
278.11386	62.5
279.11688	5.1
293.21255	100.0
294.21518	9.0
315.19379	15.0
316.19666	1.9
319.03094	1.6
338.12122	5.7
375.21222	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	46.2
75.92777	1.9
76.18057	1.9
86.41811	1.6
86.93245	2.0
92.13165	1.7
95.05031	2.9
98.22648	6.5
99.92583	2.6
103.33508	2.2
108.05692	1.8
109.06557	2.1
118.97085	2.2
121.10247	25.7
144.27539	1.9
171.10278	53.7
172.10622	3.3
174.99219	2.3
207.09882	2.5
208.71642	1.9
217.00294	8.8
228.88786	2.1
231.21255	3.7
253.09111	2.3
275.20163	100.0
276.20447	9.1
278.11313	10.0
293.21262	78.1
294.21478	7.4
297.18271	3.8
315.19424	46.7
316.19601	5.6
359.18640	2.8
375.21332	31.5
376.21304	4.2
388.60318	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	375.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81025	0.6
55.01882	10.6
57.03452	7.7
58.00599	1.0
59.01384	85.4
60.01722	0.7
69.03452	1.3
70.12762	0.7
71.01387	100.0
72.01723	1.5
72.99330	1.7
73.02953	40.7
74.03271	0.8
75.00885	2.2
81.03458	1.0
83.01387	18.5
84.02155	0.9
85.02956	49.2
86.00111	1.7
86.03297	1.4
87.00901	3.4
89.02452	18.9
93.03472	3.3
95.01392	8.6
97.02978	3.7
99.00899	14.2
101.02451	95.2
102.02786	2.6
107.01393	1.0
111.00873	1.7
113.02458	44.3
114.02802	1.6
119.03525	5.6
123.00891	3.4
124.01665	1.2
125.02471	7.2
129.01927	2.5
131.03464	1.3
135.02982	1.1
137.02419	3.8
139.00354	1.0
143.03557	3.4
145.02962	0.9
147.04619	1.2
159.03011	11.1
159.04445	2.0
160.01581	1.4
161.02449	1.7
161.04572	44.1
162.04924	1.9
168.00653	0.7
169.01450	4.1
171.04504	0.7
171.08313	0.7
175.04010	1.6
176.01140	0.9
177.50294	0.7
185.06102	0.7
187.04024	1.4
187.07684	1.2
188.01138	1.9
189.01956	2.7
199.07655	2.3
201.02036	1.2
205.01451	1.3
205.03436	0.7
211.17000	0.8
213.09261	1.6
216.00679	1.5
217.08731	5.6
229.01489	2.4
229.05078	0.9
231.03046	0.8
231.06639	1.1
231.10258	1.6
233.00946	1.1
241.05173	1.2
243.03065	1.5
243.06465	1.0
244.00113	0.8
245.00998	1.0
257.08221	4.5
259.06097	1.1
259.99631	7.0
260.02454	1.1
261.07510	1.3
271.06247	1.9
275.01987	3.1
287.05649	4.9
287.08762	1.1
288.06302	3.7
300.03802	1.1
300.99921	7.5
308.52686	0.8
315.17804	1.1
316.03397	1.8
331.08160	10.6
332.08987	6.0
375.07126	3.7
375.23932	25.0
376.04001	7.1
376.08118	3.0
376.12158	1.3
376.24286	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	375.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48584	0.9
55.01891	11.2
55.07314	1.1
57.03453	7.0
59.01385	93.8
60.01713	1.4
69.03467	2.0
71.01389	100.0
72.99317	3.8
73.02951	36.1
74.03259	1.3
75.00880	2.0
81.03475	1.0
83.01401	18.1
85.02959	49.2
86.00102	1.9
86.03310	1.1
87.00875	4.0
89.02449	23.5
89.76524	1.0
95.01393	7.7
97.02962	3.9
99.00888	14.0
101.02451	91.8
102.02825	1.1
109.02962	4.3
111.00887	2.4
113.02459	46.9
114.02795	1.1
119.03516	6.0
120.17603	0.9
123.04516	3.9
125.02460	3.4
129.01942	2.0
131.03482	1.2
134.86911	1.1
143.03508	4.4
150.46819	1.2
159.03030	10.4
161.04573	45.8
162.04932	2.2
165.05583	1.9
173.02505	2.0
181.05106	3.9
189.01979	2.1
191.03568	5.2
200.00691	1.1
205.03552	1.2
213.18542	1.5
217.00258	1.2
235.02477	1.1
253.03557	4.6
259.99423	1.1
331.08282	2.2
375.07047	2.6
375.14731	3.0
375.19940	5.8
375.23892	22.9
375.27740	4.4
376.24197	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	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
58.00615	0.5
59.01382	4.5
69.03458	0.5
71.01383	0.8
73.02953	0.8
78.86807	0.2
83.01390	0.2
85.02952	0.7
85.40870	0.2
87.00900	0.4
87.04537	0.7
89.02442	0.5
97.06596	0.5
98.21902	0.6
101.02446	0.7
109.06596	0.4
111.08141	0.3
113.02493	0.2
113.09818	0.3
123.00891	0.3
123.08150	0.9
124.01698	0.2
125.02446	0.4
125.09741	0.3
127.11298	0.3
129.09125	0.2
135.08167	0.5
138.06842	0.2
139.11281	0.8
141.09239	0.4
141.12862	0.7
149.09769	0.3
153.09196	0.6
155.10756	0.6
157.12337	1.5
169.01526	0.3
169.12379	0.6
171.10271	0.7
172.05223	0.2
174.99243	0.4
185.11870	1.9
215.12880	1.8
217.00311	0.8
217.14427	0.2
251.20193	0.5
293.21136	0.4
300.99881	0.3
311.22333	0.5
327.21756	0.5
327.25552	0.6
329.23318	3.2
330.23654	0.3
339.25430	0.5
357.26517	3.6
358.26785	0.4
373.25949	3.0
375.27521	100.0
376.27872	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	377.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.4
60.68689	0.9
69.21104	0.9
69.60043	4.1
71.01405	4.6
71.49027	0.9
85.02945	1.1
89.02448	1.9
95.01334	0.9
99.96786	0.9
101.02415	1.8
119.03529	1.3
123.00877	1.6
125.02472	2.8
134.03754	1.3
135.04535	100.0
136.04871	5.1
145.02956	2.1
161.02483	1.8
169.01424	3.3
173.02435	1.9
177.01959	0.9
179.03508	3.9
189.01874	2.0
190.02585	1.4
191.03502	2.8
201.01788	1.8
203.03516	1.8
217.01364	1.5
219.02908	1.8
221.04500	1.4
229.01312	2.3
231.02855	1.2
241.26262	1.0
243.03236	1.1
245.01009	2.1
247.02562	7.4
248.02780	1.2
249.03979	1.1
271.74985	1.0
273.00400	3.1
275.01962	4.5
276.02621	1.2
300.99890	7.0
341.08701	6.7
362.53030	1.2
376.52664	1.2
377.03168	7.4
377.14404	1.3
377.53421	1.8
378.03690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34007	0.2
57.03438	0.3
59.01389	3.8
71.01390	2.1
73.02950	1.4
73.61668	0.2
73.75471	0.2
79.25568	0.2
82.99624	0.3
85.02977	0.8
89.02461	0.8
93.03456	0.3
95.01379	0.6
97.02931	0.3
97.06632	0.6
99.00903	0.4
99.92591	1.9
100.93373	0.4
101.02467	1.0
107.01407	0.7
107.05060	0.5
107.49567	0.2
109.02992	0.4
111.00859	0.3
112.99188	0.2
113.02481	0.8
115.92113	0.5
117.03495	0.7
117.69048	0.2
119.03537	0.4
119.04997	0.2
121.02995	0.4
123.00911	1.2
123.04530	0.5
124.01654	0.6
125.02460	2.6
133.02983	0.6
134.03798	1.7
135.04541	100.0
136.04865	4.4
137.02458	0.3
145.02950	1.2
147.04544	0.8
149.02443	0.3
151.03987	1.2
153.09262	1.4
159.04477	0.2
161.02458	1.1
161.04565	0.5
162.03152	0.4
163.00447	0.3
163.04047	0.6
165.01845	0.3
169.01424	2.6
170.93932	0.3
171.10234	0.3
171.94719	0.2
173.02480	0.7
174.03146	0.3
175.04001	1.1
176.01102	0.3
179.03522	7.4
180.03860	0.5
185.02423	0.3
187.04120	0.3
189.01894	1.3
190.02676	0.8
191.03554	1.8
197.08240	0.5
197.92711	0.3
198.93417	0.5
201.01891	1.3
202.02658	0.4
203.03615	0.6
204.78999	0.3
205.01489	0.3
215.09264	2.8
215.14114	0.5
216.00719	0.4
217.01459	1.3
218.02045	0.8
219.02985	1.0
229.01529	1.2
230.02313	0.3
231.02965	0.7
233.00798	0.4
239.09608	0.3
243.03078	0.8
245.00935	1.1
245.08238	0.4
246.01608	0.3
247.02502	4.3
248.02959	0.4
249.04030	0.6
257.00934	0.9
257.10318	0.7
259.99686	0.3
261.00189	0.4
271.06146	1.0
273.00302	1.6
274.01035	0.3
275.02005	2.7
289.11072	0.3
291.01620	0.6
297.09839	5.1
298.10242	0.3
300.99918	3.7
301.02881	0.8
302.00266	0.9
302.03357	0.5
315.08865	0.9
333.09567	0.4
341.08817	15.0
342.09195	1.6
349.03821	0.3
363.03479	0.4
368.03363	0.3
377.03284	2.1
377.07373	0.9
377.14551	1.2
377.53629	0.9
378.03943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60009	3.4
53.89667	3.5
59.01385	50.5
59.61470	3.2
68.52120	2.7
68.86518	3.3
70.49690	7.4
70.50027	3.8
71.01388	24.8
89.02448	40.9
101.02458	15.1
113.02451	11.3
119.03532	14.8
132.79607	3.6
179.05638	18.2
209.33727	3.9
210.38000	3.3
215.03319	20.1
237.99883	3.3
269.86865	3.4
341.10904	100.0
342.11224	9.8
358.48166	3.2
377.08511	56.4
378.08994	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	377.1429
Annotation	Abafungin
Peak:m/z	Relative Intensity
57.96342	0.4
58.71861	0.4
59.01376	0.8
61.98813	1.3
69.36301	2.2
72.91855	0.4
84.35139	0.4
84.93886	5.5
90.79208	0.5
96.96035	1.2
97.93160	0.5
99.20543	0.5
99.92596	73.6
100.92619	5.2
100.93374	14.3
101.93395	1.0
105.35930	0.5
115.92092	25.4
116.92873	100.0
117.92888	5.9
117.93649	0.9
132.92372	0.5
133.11874	0.6
140.80481	0.4
154.46117	0.5
229.01744	0.5
260.41678	0.4
277.21625	2.4
279.22388	0.9
290.06131	1.2
293.17859	1.2
308.07224	3.2
309.07834	0.8
315.14346	1.1
333.15347	1.5
334.15662	0.6
359.13306	2.8
360.13431	0.7
373.11166	3.7
374.11182	1.1
377.14279	46.2
378.14539	9.4
387.09543	0.5
391.12244	4.1
392.12570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49923	0.5
59.01406	1.7
69.06884	3.5
70.44045	0.5
71.01415	0.8
73.02976	0.8
77.04028	0.6
93.03486	3.9
95.01406	1.1
104.94444	0.6
105.03500	0.6
107.01421	2.6
109.02973	1.2
109.32832	0.5
115.88961	0.6
119.79924	0.8
121.02962	5.8
122.03757	14.7
123.00921	3.7
123.04484	0.5
124.01690	6.9
125.02454	9.3
133.02917	1.3
133.07587	0.6
136.01671	1.0
137.02411	1.0
138.03279	1.0
139.04031	1.9
147.04536	0.9
149.02461	37.4
150.03242	88.5
151.00398	0.8
151.03560	4.1
161.02367	0.7
164.04797	7.7
165.05585	100.0
166.06021	5.7
167.07199	1.7
168.00711	1.2
169.01434	10.6
175.19185	0.5
177.04083	0.7
180.04306	6.8
181.08728	1.1
191.03415	0.6
195.06642	52.3
196.06987	3.3
232.02965	1.7
244.11177	0.7
247.02431	0.6
283.09897	0.8
302.05389	14.2
303.12439	0.8
314.11624	7.1
315.12082	1.2
329.13950	20.4
330.14124	2.6
335.16721	0.7
377.04330	0.8
377.25443	1.3
378.05722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13299	0.6
67.26676	0.6
69.07546	1.6
69.07963	2.8
70.31676	0.6
71.01382	0.9
78.65244	0.6
79.18255	0.7
87.31661	0.6
93.03473	3.8
95.01447	0.8
105.03490	0.6
107.01402	2.0
109.02974	0.7
117.19193	0.7
121.02958	6.2
122.03753	14.7
123.00893	2.9
124.01669	6.8
125.02450	7.5
133.02974	1.6
137.02507	1.1
139.04031	1.2
149.02455	37.4
150.03241	89.2
151.03574	3.5
164.04839	7.5
165.05582	100.0
166.05962	6.5
167.07140	0.8
168.00655	1.0
169.01443	8.3
175.78668	0.6
178.95839	0.7
180.04323	6.7
181.08740	1.4
195.06641	53.7
196.07095	3.0
244.11014	1.4
283.09702	1.2
302.05408	13.2
314.11618	5.9
315.11993	1.5
329.13974	23.8
330.14136	2.8
351.16138	0.7
366.77814	0.6
378.05804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.1
61.98841	3.0
65.77536	1.0
66.80574	1.0
69.74093	1.1
69.74445	3.5
73.25941	1.0
96.96043	3.1
98.21958	2.3
99.92588	1.4
125.09717	1.0
169.46248	1.0
171.10294	25.7
179.06552	1.0
183.10349	4.3
195.13925	1.9
249.22212	1.6
265.14749	3.9
277.21777	35.0
278.22141	3.8
295.22815	100.0
296.23181	9.5
317.21021	30.5
318.21393	3.2
361.19968	2.6
377.22934	16.7
378.60941	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26511	1.0
58.94784	1.1
61.98836	100.0
68.61272	1.0
69.67440	4.3
71.01411	5.9
74.36387	1.1
74.61325	1.1
93.69575	1.1
95.50469	1.0
101.98083	4.6
124.68038	1.1
155.99170	2.1
177.09235	2.1
192.11583	4.1
205.12370	2.4
220.14706	35.7
221.15468	53.3
222.15854	4.0
231.17627	1.6
236.10576	42.9
237.10941	3.8
268.36942	1.3
275.16592	3.9
293.17682	12.0
294.18076	1.4
305.12512	3.3
306.13272	2.6
360.14255	6.9
378.15326	44.3
379.15717	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	379.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
61.98812	0.3
69.23889	0.6
69.24284	1.3
72.99277	0.3
73.78422	0.2
79.95737	7.0
80.96520	0.6
91.05551	0.3
91.83585	0.3
93.03459	0.6
96.96014	1.2
107.05034	0.9
119.05035	100.0
120.05363	4.3
120.99673	0.3
125.02433	0.3
130.87407	0.3
135.04536	16.0
136.04887	0.6
142.65146	0.2
163.04021	6.5
164.04376	0.5
169.01414	0.6
181.05072	1.2
199.00710	37.8
200.01053	1.9
215.00209	20.9
216.00523	1.1
242.99701	3.9
244.00020	0.3
261.00833	0.5
379.04974	20.0
380.05301	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53598	0.7
54.73463	0.8
61.98833	1.4
70.97733	1.1
80.74563	0.8
84.93894	5.3
98.16880	0.8
99.91914	1.7
99.92596	67.2
100.92619	3.5
100.93376	15.1
115.92089	21.0
116.92874	100.0
117.92863	5.4
221.55911	0.7
279.23257	1.6
322.08832	0.8
329.71832	0.7
335.16873	2.4
351.96002	0.8
375.12689	1.1
379.15857	38.6
379.28534	2.0
380.16028	7.5
393.13776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1615
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01890	1.6
57.03465	1.4
58.00601	2.0
59.01384	100.0
60.01728	0.8
62.73666	0.7
71.01385	55.2
71.42327	0.7
72.01705	0.9
72.99296	1.2
73.02955	17.8
73.70467	0.7
75.00867	1.0
83.01399	3.5
85.02950	10.8
87.00889	1.9
89.02452	79.4
90.02792	1.7
95.01398	2.6
96.96011	0.8
97.02979	1.8
99.00887	17.6
99.04552	0.8
101.02448	36.4
111.00877	0.8
113.02459	20.0
115.04025	1.1
116.96531	0.7
119.03505	15.5
125.02447	3.7
131.03531	13.5
135.04561	1.5
137.09718	1.0
143.03505	3.8
149.04564	34.3
150.04933	1.9
155.10791	3.5
157.08717	5.2
161.04588	5.5
169.01421	1.7
179.05605	8.2
191.05602	9.4
199.09766	1.5
217.10808	6.5
218.11359	1.0
221.06816	1.0
233.06732	1.6
236.29135	0.7
247.02565	1.0
247.11916	5.5
251.07674	2.7
259.11929	3.0
265.10593	0.7
293.08878	0.9
293.33066	0.8
303.04108	0.8
319.13937	0.9
379.16086	30.0
379.23709	1.4
380.16440	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	380.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	26.0
71.01386	37.9
71.05022	7.1
71.42131	1.4
73.36062	1.4
85.02956	5.1
88.04052	6.9
89.02454	9.3
91.74174	1.4
93.03437	1.7
99.04530	1.6
101.02463	7.4
103.10550	1.5
113.02467	3.9
119.03537	6.7
128.07181	2.3
131.07216	1.6
137.02472	2.8
139.10591	1.6
146.08255	58.7
147.08592	2.6
164.99059	1.4
194.90488	1.4
200.09314	1.7
217.00404	2.2
308.13577	6.6
325.34375	1.6
362.14572	1.8
380.15668	100.0
381.16101	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
59.01387	20.7
70.28918	1.0
71.01389	31.3
71.05025	7.2
72.01709	0.8
72.99298	0.5
73.02943	1.0
83.01380	0.9
85.02946	3.1
87.00907	0.5
88.04050	5.2
89.02451	8.9
95.01376	0.8
99.04535	2.1
101.02449	7.0
113.02451	4.8
116.00088	0.5
116.03571	0.8
116.07264	1.1
119.03519	2.8
124.55833	0.6
127.54739	0.5
128.07184	2.3
129.05536	0.6
146.08246	55.8
147.08597	1.8
154.14728	0.5
161.04587	1.3
200.09380	1.4
218.10292	0.8
263.11334	0.7
308.13541	6.3
319.97427	0.6
362.14606	1.7
375.00912	0.5
380.15649	100.0
381.15997	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	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.6
59.26838	1.4
66.45577	0.9
69.58000	2.3
69.58401	2.4
80.96507	1.3
87.00884	100.0
88.01234	2.3
91.91784	1.2
96.96013	2.0
115.00378	2.3
122.03780	2.1
123.04476	1.7
130.99873	9.9
135.04510	3.7
136.05276	2.8
146.03799	1.6
147.04471	1.5
147.08228	1.5
148.05305	4.1
149.06104	6.2
150.03226	1.2
159.04533	3.2
160.05290	3.1
161.02402	2.1
161.06017	1.7
161.09796	3.0
162.03143	2.2
162.06955	1.4
163.04111	2.5
164.04788	3.5
171.08192	5.9
174.06853	3.3
175.07680	8.4
176.04782	5.5
177.05592	7.9
187.07530	1.4
188.04724	2.7
188.08424	1.0
189.05536	1.8
189.09219	29.2
190.06310	2.0
191.07135	3.5
191.10793	3.4
199.07646	10.1
200.08208	2.0
201.05470	2.1
202.06337	4.5
203.07161	2.5
203.10701	1.3
205.08707	9.1
206.09357	3.1
207.10159	1.3
208.03894	1.8
208.05775	1.3
208.51332	1.2
215.10788	8.5
216.07903	1.8
217.08702	27.2
218.09143	1.7
219.06656	3.4
219.10271	1.3
219.14061	1.2
221.11833	17.9
222.12224	1.5
231.10266	4.2
234.08955	6.2
243.10342	7.9
245.08221	2.2
246.35265	1.3
247.06032	1.3
247.13454	1.3
248.10509	2.0
249.11325	34.2
250.11624	3.2
254.04306	5.2
259.09839	5.5
260.10229	1.2
261.11353	2.4
263.12872	1.8
275.09421	1.8
275.12875	4.1
287.09277	3.0
287.94604	1.2
289.07193	1.7
291.12323	9.8
303.09183	1.3
304.09534	1.5
319.11978	8.3
321.09802	10.5
349.09308	16.9
350.09705	2.0
363.10989	1.4
381.11911	92.5
382.12274	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	381.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02204	1.0
59.01387	14.7
61.98840	2.8
70.86153	1.6
70.93678	1.0
71.01385	6.9
72.00901	2.3
72.99312	2.9
73.02959	1.9
85.03004	1.1
87.00898	1.5
89.02464	4.3
92.05087	2.1
95.01423	1.1
96.96030	1.3
100.04018	1.5
101.02451	2.5
113.02445	2.9
116.05081	4.2
119.03461	1.5
125.02483	3.0
127.40987	0.9
130.06662	1.6
131.01762	1.3
131.03722	3.3
132.04565	8.7
135.04546	3.5
137.02457	1.2
142.06619	1.5
144.04555	7.7
145.07761	1.1
154.06558	1.3
156.06935	5.6
157.07674	5.2
158.06131	3.9
159.05708	1.5
160.04042	10.0
161.04521	1.0
167.06154	10.2
169.01422	3.2
169.07693	5.0
170.06105	2.4
171.09297	8.2
172.04056	1.9
173.07256	9.2
175.02757	3.2
179.05914	1.0
180.06938	1.3
181.07741	56.3
182.06163	1.9
182.08002	3.7
187.08798	2.1
188.05980	1.5
197.07178	6.9
199.08786	35.5
200.09073	2.8
201.06708	3.4
217.00446	1.4
217.09811	3.2
226.05086	3.2
234.99411	1.4
241.00246	1.3
243.07739	25.9
244.08128	1.4
261.08826	100.0
262.09097	7.4
273.08905	1.4
300.99860	1.6
319.12860	1.8
321.02795	1.2
338.08853	2.8
363.12030	4.1
381.02524	1.8
381.13113	17.9
381.17624	1.2
382.13437	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	381.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96730	3.4
60.97505	1.6
65.49472	1.3
71.43301	1.1
72.20897	1.2
74.99078	27.0
80.69127	1.1
91.01643	2.4
91.02216	44.9
93.00146	17.3
146.89336	1.4
159.08482	100.0
160.08681	4.4
161.06421	13.2
164.47549	1.3
260.80475	1.3
280.47073	1.2
362.91937	1.3
365.11014	1.6
366.11197	1.2
381.05957	2.2
381.37119	1.6
400.96182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38226	0.8
55.01885	6.8
57.03450	4.4
59.01385	46.3
60.01740	1.0
67.54055	0.7
69.03475	2.0
71.01390	61.3
72.99314	2.8
73.02956	35.4
75.00883	2.1
81.03451	0.9
83.01393	14.0
85.02960	30.7
86.00113	1.4
87.00890	12.4
87.08145	0.9
89.02471	11.1
95.01399	3.5
97.02951	2.8
99.00884	11.1
101.02455	62.0
102.02791	1.4
103.00378	1.0
107.01382	1.1
111.00897	1.9
113.02468	23.7
113.33656	0.8
114.02844	1.0
114.83363	1.0
115.04012	1.3
125.02447	6.3
129.01967	1.3
131.03525	3.5
143.03519	3.0
143.07118	1.1
149.04567	1.7
149.06097	6.3
159.02988	5.5
159.04253	1.3
161.02524	1.3
161.04587	23.6
169.01459	2.6
173.06068	1.1
176.01141	1.0
177.01929	4.9
181.93269	0.8
187.07713	1.2
188.04794	1.9
193.05083	1.5
199.07751	1.5
217.08679	2.5
233.06696	1.8
249.13455	100.0
250.13771	7.5
277.10687	1.0
297.76208	0.9
300.99866	1.9
305.05981	1.5
349.09348	3.4
370.92996	0.8
381.12247	5.1
381.17682	92.4
382.12939	1.1
382.18073	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23532	0.7
55.01866	1.5
57.03461	1.0
59.01384	83.8
59.45469	0.8
59.71842	0.9
60.01736	1.0
69.48154	3.3
71.01385	33.8
72.99308	1.8
73.02943	2.8
83.01398	2.5
85.02951	7.4
87.00883	1.7
89.02451	31.9
93.58835	0.8
95.01383	2.5
95.51149	0.8
99.00932	1.2
99.04538	1.0
101.02455	25.5
113.02451	13.5
116.92855	1.3
119.03500	14.1
125.02435	1.3
131.66649	0.9
132.04552	1.5
157.12373	1.8
158.06158	2.6
161.04562	2.3
169.01405	1.5
177.01997	1.7
179.05664	1.5
183.10294	1.5
201.11369	6.9
219.12379	2.0
221.43550	0.9
317.53699	0.9
363.16495	2.0
364.00928	1.0
381.17657	100.0
382.18185	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.3
57.03453	4.8
59.01384	42.5
69.03463	0.9
69.27634	4.0
71.01387	47.0
72.01723	1.5
72.99308	0.8
73.02953	32.5
75.00887	1.4
83.01392	13.0
85.02958	28.5
85.03476	1.5
86.00097	1.4
87.00887	7.6
87.08155	1.3
89.02448	8.9
89.47010	0.8
89.50369	0.8
95.01402	3.6
97.02960	2.6
98.21877	1.6
99.00889	10.4
101.02452	56.4
102.02776	1.3
111.00897	1.2
113.02470	20.0
115.04026	2.2
116.63938	0.7
120.52433	0.7
125.02453	3.1
129.01971	1.7
131.03548	2.8
143.03519	2.4
159.02998	5.5
161.04576	18.4
191.05608	0.9
209.02525	0.9
233.06680	2.6
249.13452	100.0
250.13823	6.0
293.08994	0.9
314.09955	0.9
381.17682	81.7
382.18027	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	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45155	0.9
59.01387	1.1
85.12447	0.9
95.68857	0.9
98.21865	1.8
99.82011	0.9
109.06585	1.3
121.83074	0.9
138.06856	2.3
151.07655	2.2
170.05908	2.4
182.12831	0.8
199.13344	1.0
202.77835	0.9
232.62054	0.8
233.18983	1.3
235.20572	1.8
251.20253	2.2
277.18097	87.4
278.18475	8.3
279.19672	27.0
279.22745	1.7
280.19986	2.8
295.19174	100.0
296.19513	11.2
300.82608	0.9
363.25443	15.6
364.25842	1.5
381.06134	1.4
381.26614	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	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
64.73043	0.6
70.63940	1.0
78.11318	0.7
88.57971	0.6
107.77953	0.6
138.06837	1.4
152.99594	0.6
153.12860	3.2
156.87195	0.6
163.11322	1.9
165.12828	4.0
167.10811	0.7
170.05881	2.4
179.09326	1.0
179.10797	13.4
181.12361	36.0
182.12701	2.0
190.56476	0.6
195.10298	3.4
197.11853	2.2
199.13412	100.0
200.13724	5.9
200.87083	0.5
211.04048	0.6
215.12851	2.7
217.00215	0.8
233.94212	0.6
344.54080	0.6
363.25467	4.8
364.25949	0.7
381.06537	1.4
381.11417	2.9
381.26801	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	382.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.1
58.44697	1.4
61.98836	100.0
70.29617	2.9
71.21496	1.5
76.92953	1.4
82.40349	1.5
83.01392	2.7
103.69768	1.5
107.01376	1.6
108.87645	1.6
116.00735	1.5
122.21559	1.4
125.02456	14.5
137.02458	2.3
147.00906	1.7
151.00366	5.9
153.01945	5.2
165.01859	3.3
175.00423	8.5
178.99896	6.3
191.03448	2.8
192.99728	3.1
193.01442	44.6
194.01717	2.5
215.03642	1.7
227.94643	2.1
257.04614	2.2
274.64780	1.6
301.03439	7.0
319.04596	5.0
342.96652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71686	1.5
57.03442	1.6
59.01381	3.3
61.40837	1.5
61.74818	1.4
61.98837	100.0
65.69777	1.6
71.01400	3.7
73.02946	1.8
81.03452	1.8
85.02940	3.0
87.00875	4.5
101.02449	1.6
107.01440	2.3
113.84853	1.6
123.04439	1.9
125.02444	16.5
137.02492	1.9
151.00339	7.1
152.01117	2.1
153.01942	6.3
165.01917	1.9
167.03554	1.6
175.00334	8.1
175.07687	2.5
178.99878	6.5
181.01407	2.1
190.06279	2.8
191.03482	3.4
193.01439	45.7
194.01826	3.4
201.09221	2.5
215.03506	3.1
219.10274	6.2
234.66701	1.7
249.13480	4.9
261.00372	3.8
292.02402	3.3
301.03717	9.3
319.04691	7.7
351.10962	2.4
381.17905	2.7
382.17978	2.5
383.13556	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	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03974	1.7
59.01384	100.0
61.98844	9.5
71.18405	2.7
89.06319	2.0
89.41433	1.9
89.53616	1.8
92.92834	2.1
116.92937	2.6
146.96671	2.2
151.45563	2.3
183.01152	2.7
243.82341	1.9
325.18466	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	383.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
69.11820	2.6
69.12212	1.1
71.01369	0.7
79.22751	0.4
87.00887	1.0
96.96015	0.8
98.22661	0.7
105.42113	0.4
107.01371	0.8
112.12863	0.5
121.02943	0.7
123.00833	0.5
124.01591	0.5
125.02462	1.7
140.08353	0.4
149.02495	0.5
150.09233	0.7
151.00304	0.5
168.00658	0.5
169.01408	2.1
174.10347	0.4
198.03217	1.9
219.10208	0.7
220.09825	1.0
221.10054	0.5
224.17535	0.4
226.02710	2.1
242.02274	1.2
254.02188	1.1
258.01727	1.3
270.01724	14.4
270.99115	0.6
271.02072	1.1
281.01141	1.1
282.01718	86.7
283.02066	8.0
286.01218	3.1
295.02490	2.6
297.00458	0.8
305.19333	0.5
307.02490	1.5
307.06448	1.8
307.56430	0.6
309.04221	0.7
311.05655	1.4
314.00766	2.2
323.01907	1.3
333.02344	0.5
337.03632	2.1
339.05109	100.0
340.05417	11.4
359.15125	0.5
383.04126	83.5
384.04373	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	383.0778
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
61.98826	1.6
65.14653	1.2
68.99806	1.1
69.28500	6.1
77.64220	1.0
83.83807	1.2
98.17115	1.0
121.02969	100.0
122.03311	4.9
147.04538	3.0
149.02464	1.9
163.11406	1.1
181.06596	3.6
191.03528	7.9
222.65764	1.0
225.05626	6.5
251.07245	2.3
254.56723	1.0
259.65173	1.3
288.35083	1.2
295.06140	12.0
296.06454	1.1
305.29187	1.2
311.09232	16.1
312.09540	1.7
313.07214	20.8
314.07657	1.9
339.08755	13.7
340.08997	2.5
383.07703	20.1
384.08182	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	383.0776
Annotation	Nidurufin
Peak:m/z	Relative Intensity
54.27073	1.2
59.01375	1.6
88.37519	1.1
98.14044	1.1
112.69484	1.4
117.98061	1.1
213.01868	1.5
227.03592	1.6
229.19423	1.2
235.03999	1.4
237.05569	1.7
239.03537	1.9
239.07172	2.3
251.07091	2.0
267.03113	1.5
267.06659	2.1
268.07413	2.0
269.04526	2.5
272.03360	2.2
277.05069	1.7
278.05600	1.3
280.42163	1.3
281.08362	3.3
283.09622	1.8
295.02551	1.6
295.06076	2.5
296.06870	4.4
299.09320	3.3
307.05966	1.3
309.04086	3.5
309.07639	2.3
311.09506	1.3
323.05627	4.8
324.06082	1.6
325.03497	2.4
326.04163	1.5
327.08777	3.2
334.04761	1.4
335.05820	1.6
337.07199	2.8
339.05069	5.4
340.05692	6.3
353.06885	3.3
354.03571	1.7
354.07422	7.7
355.08221	26.1
356.08740	3.2
365.06723	1.9
383.07733	100.0
384.08105	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	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05473	0.6
59.01386	5.0
61.98833	1.3
66.43743	0.6
69.03465	0.7
71.01393	3.2
72.99308	1.1
73.02949	1.4
79.95744	1.6
80.96527	0.9
83.01389	1.2
83.05018	1.1
84.87013	0.6
85.46726	0.6
87.00886	25.4
96.96019	10.5
101.02457	1.6
103.00376	1.5
107.01423	0.9
107.05009	1.6
109.03001	1.0
111.00852	0.7
113.02455	0.8
122.03724	0.9
123.04518	4.8
124.01682	1.1
125.02460	2.2
130.99895	1.4
133.02971	0.9
134.03752	2.2
135.04536	100.0
136.04851	4.9
137.02435	0.9
138.97081	0.7
139.04086	0.6
145.02960	0.8
146.03680	0.7
147.04468	1.1
149.06049	1.1
151.03984	1.4
159.04468	3.1
161.02467	3.6
162.03281	5.0
163.04019	1.6
165.05608	1.6
168.47119	0.8
169.01462	2.1
172.05266	0.7
173.02553	0.9
173.06047	1.2
174.03275	0.8
175.04021	2.1
175.07707	1.1
176.04478	0.8
177.02023	1.0
177.05612	2.6
179.03537	7.1
181.04953	0.7
187.04044	2.4
188.04834	1.3
189.05312	0.7
190.02722	1.1
191.03445	0.9
191.07207	1.0
195.03004	0.8
203.03574	2.1
204.04253	1.0
205.04982	1.6
205.08717	1.4
215.07240	1.7
217.04974	0.7
219.02991	0.9
219.06625	1.5
219.10226	0.8
220.07373	1.3
228.73744	0.7
231.03059	1.1
233.08273	1.9
240.33922	0.7
241.00209	3.6
255.05089	2.3
271.04724	0.8
275.02197	0.9
277.10822	2.2
283.05142	0.9
287.05554	1.1
300.99899	1.6
307.05673	0.7
365.08685	0.9
383.03632	0.7
383.04575	0.9
383.10001	13.1
383.53201	1.0
384.10083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
61.90961	1.5
69.03476	2.7
69.10803	7.8
71.01385	3.4
85.02992	2.4
87.00884	47.8
88.48153	1.7
97.06577	7.1
112.76572	1.4
115.00341	1.6
121.02945	6.5
122.03760	3.9
123.04543	6.7
130.99910	4.2
135.04541	4.2
146.03758	5.3
147.04507	10.4
148.05257	2.8
149.06047	3.1
160.05336	2.2
161.06044	5.1
162.06888	5.9
163.07646	3.3
172.05319	16.5
173.06038	5.7
174.03285	2.8
174.06889	2.1
175.04030	14.7
175.07657	22.9
176.04672	3.8
186.06847	4.6
187.07620	6.9
188.04791	5.5
189.05539	9.8
190.06360	66.0
191.06776	5.0
191.10771	5.5
195.69873	1.7
197.06088	1.7
200.04826	5.3
201.05614	3.2
201.09242	40.2
202.09593	2.8
203.07152	6.5
204.07915	11.6
205.08678	2.0
215.07167	4.8
216.07881	4.1
217.08731	10.8
218.09084	2.0
219.10277	100.0
220.10617	8.6
227.10817	6.0
229.08745	21.8
232.07350	2.4
233.11771	4.2
245.08205	8.6
245.11824	5.7
247.09825	5.3
251.12917	9.2
251.37450	1.5
254.04379	2.7
261.11386	11.7
271.09753	2.8
273.07748	17.8
274.08063	4.3
289.10797	9.1
291.08969	1.8
321.13364	2.1
323.11380	8.8
324.11728	2.5
333.09686	7.1
351.10892	57.3
352.11200	6.9
365.12463	14.9
366.12708	2.0
383.13510	97.8
384.13885	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	383.1351
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
51.84299	0.4
59.01381	1.7
59.19911	0.4
62.16283	0.4
63.72221	0.4
63.74702	0.4
71.05037	0.7
76.68436	0.5
79.05547	0.5
81.03466	0.9
83.05032	2.2
87.00884	18.0
91.05550	1.5
93.03462	3.7
95.05032	1.7
96.96014	1.5
97.06602	37.3
98.06950	0.8
103.05541	0.9
105.03478	1.5
106.04272	1.0
107.05043	10.0
108.02179	0.6
111.04543	5.0
111.26476	0.4
112.05305	1.7
113.06147	0.8
116.27247	0.4
119.05058	3.4
121.02969	70.9
122.03787	24.5
123.04585	5.2
125.02509	0.6
129.03505	0.5
134.03763	0.7
135.04552	4.1
137.02487	2.4
145.03020	0.5
145.06573	0.7
147.04544	26.0
148.01714	0.6
148.05339	10.9
149.02464	2.6
149.05956	1.5
150.03230	0.9
163.04030	20.0
164.04811	8.4
165.05518	2.6
175.07660	0.7
191.03519	11.2
192.04291	7.2
193.05029	1.9
201.09224	3.1
219.10284	5.3
232.47583	0.4
261.11313	2.1
276.50934	0.4
282.01871	0.4
282.72849	0.5
289.10870	3.0
291.08817	1.3
307.11957	1.2
313.08221	0.5
319.84564	0.4
321.13495	1.6
323.11395	15.4
324.11807	1.2
351.10907	6.5
352.11304	0.6
365.12457	0.9
367.79321	0.4
383.13501	100.0
384.08966	0.6
384.13852	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	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61331	0.6
52.21913	0.6
59.01386	1.3
68.99810	0.8
69.33907	2.4
71.05019	0.8
73.02954	0.7
77.94942	0.6
78.05453	0.6
83.05019	0.8
87.00353	1.3
87.00885	23.3
91.05539	1.7
93.03477	5.3
95.05045	1.2
97.06599	13.6
103.05556	1.2
105.03470	2.2
106.04262	1.6
107.05039	18.9
107.51566	0.7
108.02219	0.9
108.05386	0.8
111.04533	2.1
112.05318	16.9
113.05637	0.9
119.05034	2.7
121.02968	58.9
122.03805	14.2
123.04594	3.6
124.21164	0.6
130.99890	1.8
135.04546	2.7
137.02435	2.8
139.04112	0.7
143.05038	1.1
143.97464	0.7
146.03773	1.6
147.04538	31.1
148.01752	0.7
148.05339	9.7
149.02477	3.0
163.04025	19.6
163.05379	1.0
164.04826	9.7
165.05515	1.4
171.77956	0.7
172.05360	1.1
175.07681	1.2
176.04863	0.7
177.09297	0.7
191.03505	8.5
192.04291	7.0
193.05106	1.1
194.02219	1.1
195.11240	0.7
201.09229	10.9
201.11031	0.9
202.09535	0.8
219.10304	2.8
254.04356	1.1
261.11411	1.9
289.10913	2.1
291.08725	1.8
323.11420	16.6
324.11667	1.0
351.10873	9.4
352.11169	1.2
365.12598	1.1
383.13507	100.0
384.13892	10.6
387.53436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.2
65.29322	1.7
69.03474	2.4
69.44376	6.1
71.01389	3.4
72.99329	2.0
83.06872	1.6
83.54826	1.6
85.02930	2.6
87.00343	3.1
87.00880	60.0
97.06583	6.5
101.02446	3.8
103.00401	5.0
109.65128	1.6
112.45772	1.6
121.02944	4.0
122.03741	4.6
123.00916	2.2
123.04523	5.8
130.99896	3.5
133.01463	2.1
135.04584	3.1
146.03766	5.9
147.04568	9.8
148.05251	2.9
149.06081	4.9
159.04518	5.0
161.02464	3.1
161.06097	3.5
162.06863	6.2
163.07631	4.1
171.30812	1.8
172.05325	16.4
173.06049	8.2
173.09764	2.4
174.03238	3.7
174.06844	6.2
175.04028	14.1
175.07640	22.4
176.02426	1.9
176.04808	7.3
176.07838	1.8
177.09180	3.1
179.03517	2.7
186.06879	6.3
187.04012	2.2
187.07677	7.5
188.04837	4.5
189.05583	8.4
189.09216	3.0
190.06366	67.7
191.06851	3.6
191.10744	6.2
192.04413	2.0
200.04776	5.2
201.05542	3.1
201.09219	43.9
203.07118	11.6
204.07816	8.4
205.08749	9.3
215.07118	9.2
216.07869	4.7
217.08723	11.7
218.05797	1.8
218.09248	2.4
219.10274	93.2
220.10622	5.2
227.10835	5.9
229.08714	22.0
233.11870	6.9
243.10196	2.6
245.08186	8.7
245.11890	6.4
247.09763	4.0
251.12895	7.6
254.04366	2.1
259.09793	2.0
261.11319	12.0
271.09821	4.0
273.07730	17.8
289.10803	9.4
291.08627	3.5
303.12219	2.4
323.11383	11.8
333.09842	5.6
347.11145	2.1
351.10883	53.4
352.11145	5.7
365.12421	32.7
366.12546	4.4
383.13522	100.0
384.13855	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	383.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01696	1.6
61.98821	2.7
66.42358	1.0
71.01385	7.5
72.99309	3.5
73.02953	2.1
81.51694	0.9
83.71483	1.0
85.02953	2.4
87.00874	2.0
89.02445	3.3
90.01656	1.0
95.20498	0.9
98.02529	1.1
99.00881	1.6
101.02458	4.0
105.21480	1.1
109.02976	1.3
113.02467	3.0
117.01928	1.1
123.04532	1.3
125.02505	1.4
133.23299	1.0
134.04782	1.4
135.04532	1.7
146.97060	1.4
149.87132	1.2
161.02437	1.4
161.04527	2.8
162.94835	1.2
163.04073	1.5
172.97745	1.6
174.96471	1.3
177.01826	1.4
179.05592	1.9
190.94376	1.3
191.03409	1.0
193.39346	1.0
202.96107	2.5
217.00317	2.9
220.99240	1.7
224.00090	1.4
224.99260	2.8
228.71251	1.5
232.59436	1.2
238.37941	1.3
239.05626	1.1
250.98688	2.2
263.11484	5.3
268.90161	1.0
281.12476	6.3
321.09769	3.5
323.13522	4.9
333.58560	1.0
378.46317	1.2
382.96164	1.0
383.03424	3.4
383.09793	7.1
384.10272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
67.62615	0.9
69.04877	0.9
69.41517	1.6
69.41910	2.0
82.57413	1.0
83.05029	1.2
91.04007	2.7
97.03004	1.1
97.06572	1.1
107.05077	1.0
115.07645	1.3
118.33352	1.0
118.95461	0.9
123.04538	1.0
141.09204	1.1
149.94435	0.9
165.12866	2.2
167.10774	1.3
167.14436	1.4
181.12341	3.6
193.16142	1.1
195.13930	2.2
211.13429	3.1
221.15565	1.8
247.20706	4.6
273.18585	3.3
281.21185	1.5
291.19681	40.4
292.20020	5.0
309.20740	100.0
310.21066	11.1
314.17282	1.3
355.08215	2.3
383.07941	6.1
383.24219	4.0
384.08087	1.1
384.24548	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01371	2.6
59.32021	0.7
71.01389	1.1
71.05052	0.9
71.42043	0.8
84.62810	0.9
87.68240	0.8
91.04011	1.5
97.02960	0.8
97.06604	1.8
110.76017	0.7
113.09721	1.8
115.07681	1.0
115.64835	0.7
125.06047	0.9
139.11307	0.9
141.09225	1.4
163.11301	1.7
164.11510	0.8
165.12863	3.6
167.10828	1.3
167.14447	1.3
181.12375	2.3
183.13837	1.1
190.06496	1.0
193.12370	1.2
195.13934	2.2
207.15807	0.8
211.13406	3.5
221.15527	3.2
247.20700	2.8
265.21838	1.0
273.18649	3.3
281.21103	2.1
291.19687	34.8
292.20013	3.8
309.20746	100.0
310.21078	10.9
314.17401	1.4
325.07126	1.5
326.19833	0.9
355.08340	2.4
383.07660	8.9
383.24231	5.2
384.24979	1.1
395.82901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2758
Annotation	(-)-Mycestericin E
Peak:m/z	Relative Intensity
59.01374	2.7
84.04538	4.3
93.21162	1.9
97.84148	1.6
100.04052	2.0
100.07684	2.2
102.05620	78.8
103.05946	2.2
128.03552	95.3
146.04604	10.0
193.51323	1.9
237.21989	2.1
254.24887	4.3
255.23318	57.6
256.23679	5.0
294.27969	2.8
296.29623	13.3
340.28662	15.5
366.26489	14.4
384.27579	100.0
385.27994	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.73594	0.6
57.03454	13.1
59.01083	0.8
59.01382	14.5
62.51646	0.7
67.01882	0.6
69.08594	3.9
71.01388	4.9
71.84162	0.6
72.30308	0.5
72.99311	3.5
73.02941	0.7
75.00871	1.6
83.01397	7.5
84.02164	2.3
85.02957	100.0
86.03297	2.2
87.00894	2.9
89.02444	1.6
98.21867	1.4
99.00897	1.9
101.02458	1.8
103.00395	3.6
109.02989	1.0
109.32494	0.5
111.00891	2.2
112.17513	0.6
116.92877	1.3
117.01937	1.8
123.00883	0.6
123.04545	0.7
125.02465	0.9
129.01952	6.7
134.03770	4.7
135.04541	18.1
136.04845	1.3
142.96640	0.9
145.01431	5.4
147.02997	6.7
149.06091	0.8
151.04016	0.8
153.05632	0.8
158.99741	0.6
160.06149	0.6
168.99988	0.9
169.01408	1.1
172.97722	0.7
175.02582	0.8
175.04021	0.6
176.96310	1.0
179.03615	2.1
181.05099	0.7
185.00681	0.7
187.02516	4.0
189.01930	0.7
191.02003	22.3
191.03276	0.8
191.05585	1.0
192.02356	0.9
193.05084	2.0
194.21065	0.6
197.04604	3.4
201.01833	0.7
204.95807	1.0
205.03551	3.4
207.70802	0.6
209.03049	16.0
223.04611	8.2
224.05038	0.7
240.03070	0.6
241.03877	0.6
251.03441	0.8
280.93829	2.0
293.62619	0.6
298.94250	0.8
299.54892	0.6
300.99734	1.3
309.12341	0.6
333.02475	0.6
384.98996	0.7
385.11761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
57.03456	12.5
59.01388	14.3
68.99822	0.8
71.01379	3.7
72.99318	1.7
73.02963	1.1
75.00867	1.3
76.98201	0.6
78.95903	1.2
82.03015	0.7
83.01389	1.9
84.02193	2.1
85.02962	100.0
86.03305	2.2
87.00890	1.7
88.22554	0.6
89.02471	0.9
96.04594	1.0
101.02478	1.0
103.00383	10.5
103.92075	0.8
106.98919	0.6
108.19978	0.6
111.00927	1.3
115.00383	0.8
125.02442	0.6
126.98861	1.2
128.03583	2.3
129.01965	8.7
131.08279	5.8
133.01524	0.8
134.03751	3.3
145.06192	0.8
147.03020	10.0
163.04021	0.7
168.01570	1.0
170.01309	1.1
173.00919	1.4
173.10446	3.8
178.02963	0.6
191.02002	27.2
191.05646	1.9
192.02321	1.2
193.05080	2.5
205.03557	0.7
209.03035	9.8
210.95137	0.7
223.04530	2.1
223.06389	0.9
243.09824	1.3
247.05708	0.7
249.05495	1.5
297.51190	0.8
300.99973	0.9
317.06110	0.7
349.07245	0.8
385.11310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03449	11.4
59.01383	9.9
62.40869	0.9
70.71648	1.4
71.01383	4.2
72.99301	1.1
75.00887	1.8
83.01403	1.6
83.93915	0.8
84.02179	1.4
84.19566	0.8
85.02960	100.0
86.03288	2.3
87.00885	4.1
101.91128	0.9
103.00380	2.0
111.00893	1.2
115.00359	1.3
125.02451	2.3
127.09881	1.0
129.01976	8.8
131.92575	1.0
133.02939	1.2
134.03732	5.4
147.03038	8.3
147.04230	1.4
149.02391	1.3
149.06071	1.3
161.02432	1.2
162.89400	1.3
163.03999	1.2
164.04759	1.5
174.01727	1.2
175.02519	1.1
191.02013	25.6
191.03519	1.7
193.05066	1.8
209.03030	13.2
217.01360	1.3
221.04500	1.2
223.06125	1.7
226.29289	1.1
245.00890	1.2
247.02492	4.2
261.00232	1.2
273.00549	1.2
300.99890	2.7
363.03299	1.3
385.11502	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1147
Annotation	Axitinib
Peak:m/z	Relative Intensity
55.01870	1.6
57.03458	0.9
59.01386	26.3
61.22151	0.8
62.89064	0.8
64.95298	0.8
71.01021	1.3
71.01389	19.1
71.42994	1.0
72.99313	34.6
73.02961	4.2
73.68029	0.8
75.00881	1.9
79.95748	7.5
80.96513	3.1
83.01389	1.9
85.02957	5.8
87.00887	12.3
89.02461	10.9
95.01396	3.0
96.96021	63.2
97.06589	2.0
99.00881	3.1
101.02457	11.7
103.00372	5.3
109.02956	2.6
111.00891	1.1
113.02456	7.3
119.03522	5.1
122.03778	2.3
123.00890	2.0
123.04544	4.5
124.01516	0.9
125.02435	3.3
129.01935	1.2
129.97736	1.0
137.02469	1.4
138.06851	2.8
138.97104	2.0
139.07634	1.4
140.45232	0.9
146.03737	3.4
147.04474	1.8
148.05228	1.2
149.02361	1.1
149.06108	2.1
150.03226	2.7
151.00337	1.5
151.07637	2.6
152.08414	3.0
153.09236	12.0
159.02983	1.2
159.04419	1.5
161.04572	4.1
161.06010	1.9
162.06889	3.0
163.03888	1.2
163.07655	4.0
165.05521	1.0
169.01434	1.3
172.05339	4.3
173.06029	3.0
173.09779	1.2
174.03241	2.1
174.06882	1.9
175.03975	3.5
175.07657	11.9
176.04779	3.8
176.08073	1.2
177.09158	3.0
186.06920	2.7
187.04008	2.2
187.07640	7.8
187.11272	1.5
188.04796	4.1
189.05540	2.6
189.09207	2.6
190.06375	6.6
190.09969	1.3
191.07068	2.1
191.10741	3.5
199.07651	1.7
200.04811	4.7
201.05666	1.1
201.09250	6.6
202.06349	2.9
203.07144	6.3
204.04314	2.2
204.07903	2.5
205.08678	10.9
205.12286	6.5
215.07066	5.4
216.07657	1.3
217.08652	7.1
219.10280	15.1
220.10521	2.1
223.13394	2.1
226.06322	1.4
229.08710	19.0
230.09114	1.2
231.10181	1.1
233.08170	11.1
233.11751	1.7
235.09746	1.0
241.00250	5.9
241.08766	2.3
243.10196	1.5
245.08177	2.4
247.09851	6.9
248.10013	1.4
256.99887	1.2
259.09769	5.6
261.11472	1.3
270.03973	1.3
273.07681	8.7
274.08102	1.0
275.09296	2.1
277.10892	13.0
278.11118	1.9
287.09265	2.6
291.08731	2.4
293.10303	1.3
305.10306	2.2
331.08032	1.3
349.09445	5.2
349.13156	1.0
367.10339	54.3
368.10629	6.8
380.67496	1.1
385.11566	100.0
386.12003	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	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
57.03449	4.6
59.01384	28.4
66.25645	0.8
67.01891	0.9
68.99819	2.2
69.67431	0.9
71.01386	30.1
71.31943	1.5
72.99310	5.6
73.02927	1.0
75.00478	1.4
75.00880	21.0
79.95732	2.7
81.51568	0.8
83.01381	1.4
85.02960	28.5
85.03474	2.0
85.07596	0.9
86.03276	1.3
87.00881	11.4
89.02447	7.5
91.03993	1.2
91.05543	52.1
92.05869	2.7
95.01395	7.9
96.96014	12.6
99.00892	12.0
103.00369	4.0
111.00877	1.1
113.02462	39.8
114.02774	1.2
115.00358	2.8
117.01932	3.1
117.03486	4.7
129.01924	2.7
135.04550	10.2
149.04518	0.9
175.02487	3.4
205.07077	0.9
207.05119	1.3
223.08270	1.3
231.05161	2.1
241.00255	2.7
249.06171	37.4
250.06583	1.9
267.07224	100.0
268.07559	4.9
268.10236	1.0
385.11447	48.0
386.12042	4.4
401.24982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.67276	0.7
57.03442	1.1
59.01382	5.8
60.22033	0.9
66.57459	0.8
69.74863	0.9
70.77203	1.4
71.01388	2.9
72.99296	2.3
73.02949	4.8
75.00880	2.9
78.08714	0.9
83.01380	2.6
85.02960	11.2
87.00891	9.3
91.59235	0.9
96.96021	1.4
99.00887	1.4
101.02464	2.7
107.05067	1.1
111.00925	1.0
113.02477	1.1
113.99585	1.1
114.05621	0.9
115.00397	9.9
120.01295	1.0
121.02999	1.2
123.00871	1.2
123.04475	1.0
125.02474	3.0
129.10327	1.2
137.02417	1.5
145.03001	1.0
147.03084	0.9
161.02507	1.3
163.04016	1.8
163.58224	0.9
164.04889	0.9
169.01448	3.6
174.01712	72.4
175.02470	8.0
179.03506	2.0
191.01964	2.5
191.03529	1.8
193.04953	1.1
209.08208	5.3
223.06197	2.0
239.09343	1.9
245.01009	1.4
247.02441	1.6
251.09248	1.9
267.08701	3.1
271.02164	1.0
275.01865	1.3
295.08252	8.8
301.00037	2.4
302.89331	1.0
305.91235	1.0
308.56653	1.1
325.09344	15.4
326.09619	1.1
349.03961	1.2
349.14316	0.9
367.10519	1.1
385.11441	100.0
386.11835	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	385.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14704	0.6
57.03435	3.0
59.01382	18.8
59.71805	0.6
67.01888	0.7
70.59953	1.3
71.01388	22.5
72.99316	5.9
73.02944	1.5
74.52045	0.6
75.00481	1.1
75.00883	13.1
78.94632	0.7
79.95747	3.8
80.96487	1.2
81.03466	0.7
84.02167	0.7
85.02958	25.3
86.03284	0.9
87.00888	12.1
89.02457	6.2
91.05543	15.8
95.01410	4.3
96.96022	17.7
99.00886	7.2
101.02426	1.8
103.00378	2.4
111.00941	0.7
112.01611	0.8
113.02461	31.2
117.01939	1.8
117.03472	3.9
123.04505	1.0
129.01941	2.1
131.03499	1.3
135.04520	3.3
136.05269	1.1
138.97067	0.9
149.06029	0.9
150.80826	0.7
162.06853	0.9
175.02499	1.3
187.07695	0.9
205.07141	2.2
207.05095	1.5
217.08620	1.2
219.10269	2.2
223.08086	1.3
233.08264	0.8
241.00259	2.2
249.06194	8.9
256.99597	0.7
267.07224	100.0
268.07620	6.0
277.10837	2.6
367.10327	2.9
385.11600	40.4
386.12015	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	385.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
59.01381	6.5
62.92778	0.6
69.03468	0.6
69.72768	2.6
70.17876	0.7
71.01380	6.1
72.99310	2.5
73.02954	1.4
75.00877	2.5
79.95741	19.4
80.96518	7.9
83.01395	1.5
85.02975	4.9
87.00869	3.6
89.02467	1.2
91.05544	5.4
95.01394	1.9
96.34739	0.6
96.96019	96.3
99.00921	2.2
101.02448	4.8
111.00885	1.4
113.02459	6.6
121.02964	3.2
135.04512	1.2
137.96298	1.6
138.97057	5.2
150.97104	1.7
153.09200	0.8
159.02878	0.8
166.96648	0.9
179.03500	0.9
219.10352	0.8
221.10846	1.1
238.98740	1.1
241.00264	14.8
242.00459	1.0
249.06169	5.1
256.99750	2.7
267.07245	12.5
268.07758	0.9
353.11465	1.3
385.11719	100.0
386.12024	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	385.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
59.01381	6.5
62.92778	0.6
69.03468	0.6
69.72768	2.6
70.17876	0.7
71.01380	6.1
72.99310	2.5
73.02954	1.4
75.00877	2.5
79.95741	19.4
80.96518	7.9
83.01395	1.5
85.02975	4.9
87.00869	3.6
89.02467	1.2
91.05544	5.4
95.01394	1.9
96.34739	0.6
96.96019	96.3
99.00921	2.2
101.02448	4.8
111.00885	1.4
113.02459	6.6
121.02964	3.2
135.04512	1.2
137.96298	1.6
138.97057	5.2
150.97104	1.7
153.09200	0.8
159.02878	0.8
166.96648	0.9
179.03500	0.9
219.10352	0.8
221.10846	1.1
238.98740	1.1
241.00264	14.8
242.00459	1.0
249.06169	5.1
256.99750	2.7
267.07245	12.5
268.07758	0.9
353.11465	1.3
385.11719	100.0
386.12024	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	385.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20753	0.7
57.03444	1.5
57.13924	0.7
58.00583	0.7
59.01389	21.0
70.58752	1.5
71.01389	19.5
72.99318	12.0
73.02960	3.5
79.95744	15.0
80.96525	6.2
83.01385	1.6
85.02952	6.1
87.00876	3.9
89.02451	9.9
95.01403	2.0
95.04937	0.7
96.00955	0.8
96.96023	81.4
97.02982	1.9
99.00864	2.2
101.02453	11.0
103.00362	1.1
108.05779	0.8
111.00896	0.9
113.02473	8.4
113.06107	1.0
119.03510	2.7
122.03739	1.5
122.95789	0.8
123.04544	1.7
125.06087	1.9
129.01938	1.1
137.06105	1.1
137.96309	1.2
138.06883	5.0
138.97086	4.0
139.07697	0.7
143.03540	1.1
146.03780	1.1
151.07668	4.6
152.08458	10.1
153.09235	27.3
154.09566	1.0
159.03026	1.0
161.04561	3.4
163.07642	1.9
172.05302	1.3
175.07657	4.1
176.04794	1.4
177.09219	1.6
187.07690	2.3
188.04788	0.9
190.06430	2.1
191.06978	1.0
191.10675	1.0
191.69855	0.8
200.04770	0.9
201.05374	0.8
203.07140	1.5
204.04173	0.8
205.08649	2.8
205.12361	9.1
215.07150	2.0
217.08771	1.2
219.10233	2.8
223.13420	3.2
229.08646	4.3
233.08275	2.4
238.98721	2.3
241.00243	10.6
245.08247	1.0
247.09647	1.3
256.99759	2.1
259.09747	2.3
273.07614	2.3
277.10822	4.4
278.11163	0.8
313.06085	1.5
349.09100	1.9
367.10355	14.9
368.10608	1.5
385.11734	100.0
386.12073	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	385.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03452	0.6
59.01369	2.3
66.91957	0.4
71.01376	3.0
72.99297	2.0
73.02934	0.6
79.95743	18.3
80.96530	6.3
83.01384	1.0
85.02979	2.3
87.00883	11.6
87.72098	0.4
89.02457	0.8
96.96019	100.0
99.00916	1.0
101.02430	3.2
111.00886	0.5
113.02439	2.8
122.97572	0.8
125.02442	0.7
129.01996	0.7
135.04544	0.6
137.96272	0.9
138.97089	4.7
140.45120	0.5
150.97105	1.3
152.86334	0.5
157.81728	0.5
164.04765	0.8
166.96637	0.8
175.07635	0.7
180.98145	0.6
193.08701	0.7
207.10342	0.8
219.10326	0.5
238.98689	1.5
241.00281	10.6
256.99728	3.4
346.14270	0.5
346.98041	0.6
367.10440	1.1
385.11768	96.1
386.12094	9.1
394.55881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.5
68.60137	2.4
69.66750	7.0
87.04500	2.8
87.80622	2.6
98.21935	4.6
119.05022	9.8
128.02725	2.9
146.08884	2.5
147.04549	16.9
165.01944	3.6
169.01442	3.5
175.04028	96.9
176.04807	51.7
189.05620	3.8
190.06349	31.5
191.06998	3.6
194.05681	2.6
204.04247	20.3
208.03705	13.3
217.05110	8.6
218.05841	14.2
219.06625	50.5
220.07056	3.6
222.05353	24.6
238.06329	4.5
245.74820	2.5
266.05576	3.3
267.03058	6.3
269.17648	4.5
278.05759	3.9
321.07584	4.5
325.07227	8.3
326.07840	4.1
336.10196	2.8
337.07187	9.8
341.10080	12.0
352.09515	5.6
355.11996	5.9
367.11935	6.9
375.64767	2.5
385.12949	100.0
385.22052	3.3
386.13492	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01716	1.0
68.66988	0.4
69.20901	2.8
71.01389	2.5
72.99334	2.1
73.02958	0.8
85.02952	0.8
89.02445	1.8
97.06624	0.5
98.21950	0.9
101.02467	1.5
108.02242	0.6
113.02484	0.7
119.03575	0.6
121.02971	2.4
123.04530	0.4
163.04085	0.5
164.04997	0.5
179.03535	2.1
197.17763	0.5
271.27347	0.5
309.09747	0.7
310.93988	0.5
385.11261	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01654	3.9
57.03434	4.4
59.01382	48.1
68.39266	4.2
69.09827	10.2
69.10223	16.8
69.46520	4.1
71.01389	33.7
72.99287	5.6
75.00887	8.8
85.02950	27.2
87.00877	19.5
88.34901	4.3
89.02431	22.3
91.05507	19.5
94.06919	3.7
95.01389	7.5
96.96014	26.7
99.00883	10.8
101.02474	5.5
111.00906	5.5
113.02482	30.7
117.03489	9.9
123.04523	7.2
125.02483	7.5
135.04504	5.1
137.86790	4.9
149.14659	4.4
169.01443	4.6
175.00360	14.2
177.01752	5.2
179.07199	4.3
181.05043	5.4
187.04004	6.7
190.02722	23.5
191.03381	4.6
205.05061	35.3
223.06203	20.3
229.01233	4.3
249.06206	9.2
249.54362	3.8
267.07214	100.0
268.07523	5.2
284.58298	4.1
300.99954	6.8
331.25150	4.9
367.10220	10.3
385.11551	57.1
385.16333	13.7
386.11981	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	385.164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01654	3.9
57.03434	4.4
59.01382	48.1
68.39266	4.2
69.09827	10.2
69.10223	16.8
69.46520	4.1
71.01389	33.7
72.99287	5.6
75.00887	8.8
85.02950	27.2
87.00877	19.5
88.34901	4.3
89.02431	22.3
91.05507	19.5
94.06919	3.7
95.01389	7.5
96.96014	26.7
99.00883	10.8
101.02474	5.5
111.00906	5.5
113.02482	30.7
117.03489	9.9
123.04523	7.2
125.02483	7.5
135.04504	5.1
137.86790	4.9
149.14659	4.4
169.01443	4.6
175.00360	14.2
177.01752	5.2
179.07199	4.3
181.05043	5.4
187.04004	6.7
190.02722	23.5
191.03381	4.6
205.05061	35.3
223.06203	20.3
229.01233	4.3
249.06206	9.2
249.54362	3.8
267.07214	100.0
268.07523	5.2
284.58298	4.1
300.99954	6.8
331.25150	4.9
367.10220	10.3
385.11551	57.1
385.16333	13.7
386.11981	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	385.1768
Annotation	Isoconcinndiol
Peak:m/z	Relative Intensity
51.51289	2.4
59.01385	4.7
75.00887	5.1
75.14120	2.6
85.02967	8.0
85.89809	2.7
93.75738	2.8
97.06591	6.1
97.65329	2.9
98.22655	5.3
116.72289	2.5
165.12784	6.6
171.10262	11.4
183.13890	5.4
193.08582	3.1
207.10037	5.8
209.11804	3.0
211.13414	28.7
221.11705	5.4
229.14496	19.8
233.11542	24.4
239.12920	3.4
249.11159	3.8
251.12689	5.8
261.10968	6.5
291.19833	5.1
327.17999	5.5
327.21786	100.0
328.22000	9.4
331.18741	5.2
349.19946	35.7
350.20160	4.2
385.17676	83.1
386.17911	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	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
57.03455	2.7
58.00611	0.9
59.01385	100.0
60.01716	1.2
63.29837	0.8
64.24165	0.8
71.01389	68.8
72.01716	1.6
72.99326	6.8
73.02950	8.1
83.01399	4.7
85.02961	17.3
87.00877	8.6
89.02455	69.0
90.02789	0.8
92.30284	0.7
93.03454	1.0
95.01394	5.5
96.96018	2.1
97.02955	1.2
99.00896	3.3
101.02449	41.7
103.00398	0.8
109.02980	1.0
111.00930	1.7
113.02459	27.2
113.03257	1.3
114.02731	0.8
118.88259	0.8
119.03515	32.5
123.00911	1.3
123.08138	0.9
125.02444	4.2
128.03569	0.9
129.01961	1.3
131.03505	2.6
137.09731	1.6
142.22073	0.7
143.03497	4.1
145.02939	0.9
149.04587	2.7
149.09807	0.9
153.09207	4.8
159.03030	1.5
161.02469	1.1
161.04572	8.6
161.09746	1.8
163.04068	1.3
169.01482	4.6
172.56964	0.8
175.07614	1.8
176.08435	3.8
177.01913	1.2
179.05638	8.3
187.11292	16.8
187.12843	1.5
188.11580	1.1
189.09248	1.2
190.02686	0.9
190.09999	4.4
191.03456	1.1
203.07173	0.9
204.11530	4.1
205.08957	0.9
205.12349	25.5
206.12692	1.8
215.10779	2.4
219.10301	1.2
229.08743	1.5
233.00874	0.8
233.11850	11.7
234.12062	1.0
247.02742	0.9
259.13419	2.3
277.10901	1.0
277.14493	3.9
277.17297	0.8
300.99756	1.2
367.10361	4.4
385.02274	1.1
385.11252	8.3
385.18716	1.7
386.11267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1873
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.66114	1.1
59.01385	100.0
60.01707	1.3
68.99801	3.1
70.92486	1.6
71.01391	49.1
72.01719	1.3
72.99310	2.7
74.22456	1.4
77.47252	1.0
83.01388	3.2
85.02954	7.8
85.25558	1.1
87.00874	3.3
89.02454	63.6
94.60385	1.2
95.01383	4.4
96.96029	2.5
98.95588	2.3
99.04517	5.0
101.02454	31.9
113.02467	21.2
119.03522	25.6
122.03703	1.9
131.03497	3.7
132.18210	1.1
137.02434	1.6
143.03477	3.4
149.04529	2.0
150.03235	3.2
161.04594	3.0
161.13382	4.2
165.01981	1.6
169.01389	2.0
179.05618	7.5
197.12044	1.7
205.12352	40.4
206.12695	4.1
341.06503	4.4
385.05374	2.0
385.14349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66114	1.1
59.01385	100.0
60.01707	1.3
68.99801	3.1
70.92486	1.6
71.01391	49.1
72.01719	1.3
72.99310	2.7
74.22456	1.4
77.47252	1.0
83.01388	3.2
85.02954	7.8
85.25558	1.1
87.00874	3.3
89.02454	63.6
94.60385	1.2
95.01383	4.4
96.96029	2.5
98.95588	2.3
99.04517	5.0
101.02454	31.9
113.02467	21.2
119.03522	25.6
122.03703	1.9
131.03497	3.7
132.18210	1.1
137.02434	1.6
143.03477	3.4
149.04529	2.0
150.03235	3.2
161.04594	3.0
161.13382	4.2
165.01981	1.6
169.01389	2.0
179.05618	7.5
197.12044	1.7
205.12352	40.4
206.12695	4.1
341.06503	4.4
385.05374	2.0
385.14349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68736	1.1
61.98833	100.0
70.38221	1.4
70.38554	1.3
85.83022	1.1
94.88341	1.1
107.01395	1.5
111.08787	1.1
124.01646	1.2
125.02436	6.7
130.08752	3.7
136.25069	1.2
169.01416	10.4
203.91415	1.2
225.62424	1.2
309.09802	6.6
385.08044	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	386.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.4
61.98835	100.0
108.92599	4.9
109.75513	5.7
272.09235	5.9
276.21854	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	387.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
58.05730	0.6
59.01385	14.0
66.61983	0.9
69.03459	1.1
71.01382	5.3
71.05005	1.2
72.99300	0.8
73.02955	8.7
83.01397	0.9
85.02944	1.9
87.00846	0.8
89.02451	1.7
96.95988	1.1
97.06544	0.9
101.02455	4.9
105.03493	0.7
106.04250	3.5
111.08193	0.8
111.21117	0.7
113.02419	2.7
121.02941	0.8
125.02469	1.9
127.77829	0.7
133.02966	3.7
135.04552	1.9
137.02411	1.1
137.06152	0.8
137.09659	0.7
137.73666	0.7
139.11255	1.3
145.02898	1.1
146.03720	0.9
151.03966	1.2
161.02443	1.8
161.04567	0.9
162.03163	1.2
163.03905	1.0
163.11293	1.1
166.02708	0.8
169.01466	2.0
173.02408	2.3
177.01898	2.1
178.02718	1.1
181.12349	6.2
183.10263	6.2
189.01942	8.1
190.02733	38.9
191.03085	2.4
202.02650	2.0
215.03651	0.8
216.04338	3.9
217.01445	38.6
218.02191	32.6
219.02536	2.6
223.13417	2.0
225.11340	29.7
225.14897	1.5
226.02615	0.9
226.11711	1.4
227.03604	0.9
229.05099	0.9
230.02158	1.6
231.10330	1.2
243.03021	2.6
244.03671	0.9
245.00909	1.9
246.01709	100.0
247.02063	8.7
249.11446	0.9
257.04800	1.2
258.01730	2.7
258.09219	0.8
259.09659	1.1
267.12317	3.5
269.08206	1.9
269.17615	2.1
271.02570	1.6
271.06110	1.9
272.03192	3.3
278.00711	10.7
279.00970	1.1
285.04025	1.2
286.01175	2.7
287.09363	1.0
288.99802	1.1
290.00748	2.1
297.07828	0.9
299.70935	0.8
313.07385	1.2
314.07971	12.2
315.08749	22.8
316.08954	1.5
325.07217	0.8
327.14554	2.4
343.08249	70.0
344.08624	6.9
369.06067	1.6
369.22604	1.0
387.07248	28.9
387.13272	2.3
387.24020	9.8
388.07529	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	387.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.9
57.03463	4.7
59.01388	63.6
69.03467	2.6
69.40327	1.6
71.01385	38.5
71.42772	2.5
72.99314	3.7
73.02952	9.9
73.88390	1.5
74.99729	1.5
83.01409	2.9
85.02943	10.6
87.00884	2.2
89.02456	33.1
95.01418	4.5
95.05016	1.8
96.82855	1.6
99.00935	1.9
101.02450	18.9
101.11175	1.9
102.98621	3.1
107.05046	2.3
109.02985	2.2
111.40481	1.6
112.40968	1.5
113.02477	14.6
119.03535	14.4
119.05028	3.3
121.02983	1.8
122.06149	8.1
123.00911	4.9
124.01646	3.5
125.02490	7.1
127.83999	1.5
132.04590	4.7
133.02994	3.3
135.04543	2.3
137.02429	2.6
139.11273	3.7
143.03444	2.1
145.03000	3.4
149.02449	1.8
149.04651	2.0
150.03275	2.4
151.00336	2.6
161.02541	2.9
161.04593	6.3
161.06026	2.2
162.03224	1.8
163.04027	3.0
165.01976	4.6
165.05643	4.3
169.01439	7.1
171.04663	1.8
173.02448	4.8
173.06165	2.7
176.01141	6.8
177.01982	11.6
178.02679	2.9
179.03506	3.0
179.05699	5.5
183.10281	15.6
184.05276	1.8
186.03090	1.7
189.01918	4.3
190.02760	10.9
191.03554	14.4
191.07208	2.2
193.01402	2.6
196.05316	2.2
197.06181	1.7
197.09796	2.7
198.03253	3.4
199.07709	2.2
201.01862	1.9
202.02802	4.2
203.03546	6.6
205.01411	1.9
207.13922	2.4
211.03954	2.9
212.04790	3.2
212.08441	2.0
213.02043	3.2
213.05515	3.4
213.09438	1.8
214.02779	12.9
215.03494	2.6
215.11024	1.6
216.04303	3.8
217.01515	6.8
218.02238	4.0
219.02974	4.5
221.00983	3.3
221.06360	2.3
223.03963	3.2
223.07631	2.1
224.04807	2.0
225.05559	4.4
225.09279	6.2
225.15019	2.7
226.02652	3.4
227.03499	20.3
227.10800	3.1
228.04201	2.3
229.01445	2.8
230.02194	4.6
237.09245	3.1
239.03543	2.5
240.04349	4.2
241.05127	9.5
241.08730	2.4
242.02274	4.2
242.05930	2.3
243.02980	14.1
243.06670	3.3
243.10336	2.0
245.01025	4.4
246.01775	7.4
247.02335	2.1
251.07281	3.6
252.04323	7.9
253.05055	3.1
253.08798	3.9
255.03058	5.4
255.06693	4.2
256.03809	8.3
256.07269	2.0
257.04465	2.8
258.01700	3.1
259.02673	3.9
265.05032	8.4
266.05734	3.6
267.03101	3.5
267.06534	2.0
267.11514	1.7
268.03845	2.7
269.04645	10.2
269.08301	22.8
270.05304	3.1
271.02496	26.3
271.05493	2.9
271.06567	2.6
271.09732	17.0
272.03018	4.8
274.01135	1.9
279.06641	3.8
280.07483	3.5
281.04724	7.2
281.08286	20.2
282.05286	3.0
283.06088	2.9
284.06760	2.3
287.09268	4.5
296.07040	3.2
297.07724	21.6
298.08194	3.7
299.06009	3.4
299.09259	100.0
300.09616	13.5
307.06174	2.4
311.10455	6.2
315.08859	7.2
325.07150	21.0
326.07434	2.2
343.08231	35.9
344.08728	3.9
357.09842	4.3
369.06171	2.7
372.12234	3.4
387.07315	89.2
387.13242	16.3
387.20453	5.9
387.24509	2.8
388.07712	10.7
388.12466	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.1
69.09762	0.5
69.44363	2.3
70.89236	0.5
71.01356	1.3
71.63776	0.4
72.59550	0.5
72.60014	0.5
73.02936	0.8
85.02958	0.9
87.00895	0.6
89.02459	1.0
96.17373	0.5
96.96017	0.8
97.80913	0.6
101.02443	1.1
102.98592	0.8
106.04248	4.0
113.02473	0.9
119.05016	0.6
120.99656	0.6
121.02968	0.6
125.02410	1.1
133.02971	1.1
134.03741	0.9
136.01656	0.9
137.02425	1.1
137.95927	0.5
145.02937	1.5
146.03757	1.1
151.04022	1.2
153.23589	0.5
157.68983	0.5
161.02496	2.9
161.04524	0.7
162.03206	1.7
163.03990	0.7
164.01195	0.7
166.02658	0.7
169.01424	0.7
173.02391	2.8
174.03133	1.1
175.00392	0.7
176.01134	1.2
177.01947	0.9
181.05042	0.8
189.01961	7.4
190.02740	34.7
191.03206	3.1
202.02742	1.7
202.99815	0.5
203.03339	0.6
209.00914	1.8
215.03508	0.7
216.04260	1.4
217.01437	39.7
218.02197	32.1
219.02751	2.5
227.03322	0.8
230.02202	1.8
231.10248	0.7
243.03035	1.5
244.03745	1.4
245.00903	1.7
246.01711	100.0
246.99132	1.0
247.02087	8.0
255.03125	0.5
256.03534	0.7
257.04575	1.6
258.01666	0.9
258.08850	0.7
259.02396	1.1
259.09637	1.1
269.08234	1.6
271.02536	3.0
271.06094	1.1
271.09778	0.9
272.03296	3.2
274.01163	1.2
277.10443	0.6
278.00693	8.3
279.01096	0.8
285.04041	1.4
286.01273	3.1
287.09283	1.1
290.00540	0.8
291.84955	0.5
297.07480	0.6
299.05920	0.8
299.09143	1.2
304.02261	0.6
307.15805	0.5
313.07077	1.1
314.07971	11.3
315.08731	17.8
316.09106	1.7
325.07065	0.7
331.08026	0.8
343.08261	61.3
344.08600	6.8
369.06146	1.4
387.07251	27.9
387.12216	1.3
387.24271	2.4
388.07632	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	387.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.8
57.03461	0.6
59.01387	4.4
59.86205	0.5
67.01875	1.0
69.03445	0.9
69.03984	3.9
71.01389	6.7
73.02962	2.3
75.42084	0.5
79.01912	1.4
81.03467	0.5
83.01413	1.5
85.02961	5.4
87.00888	1.4
89.02428	0.7
95.01389	2.7
97.02964	1.8
98.21806	1.0
99.00882	1.0
101.02444	4.2
107.01413	4.3
110.62876	0.4
111.00896	1.5
113.02477	3.1
115.58681	0.5
123.00906	17.6
123.04516	1.8
124.01712	8.9
125.02471	20.1
126.02747	0.5
127.00426	1.2
136.98860	0.6
137.02457	1.7
139.00397	2.7
140.01173	1.6
141.01945	3.6
149.06105	0.8
151.00392	13.8
153.01953	1.0
154.99925	0.6
163.04007	0.9
167.03459	0.8
168.00653	3.6
169.01451	26.5
169.78815	0.5
170.01830	1.2
181.05113	0.6
193.05112	1.1
195.02858	0.6
313.05731	3.1
327.07150	0.6
387.09369	100.0
388.09750	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	387.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.7
71.01395	4.2
71.43980	0.7
71.79922	0.6
73.02950	1.9
85.02943	1.2
87.00892	1.0
89.02449	3.1
94.46334	0.5
97.99826	0.6
101.02451	2.1
108.04571	4.5
113.02487	1.6
119.03542	1.1
119.18546	0.6
121.03049	0.7
121.39863	0.6
122.06152	3.7
124.01727	0.7
125.02477	1.0
131.03822	2.8
132.04590	2.3
135.06935	1.0
136.04037	0.8
136.07227	0.6
137.02434	0.7
137.24600	0.6
145.05244	1.7
145.86674	0.5
146.06174	1.1
147.03333	1.2
147.06885	0.8
148.04057	0.6
150.05666	0.9
150.09242	8.3
151.09616	7.4
158.02443	1.2
158.39482	0.5
159.03271	4.4
160.04056	20.6
160.05351	1.2
161.04553	2.7
162.05621	1.8
169.01521	1.0
174.05656	0.8
175.02747	1.0
176.07202	1.3
178.05081	0.7
182.08459	1.0
186.02063	1.6
187.02747	1.6
188.03549	11.5
189.03964	0.8
190.02754	0.8
190.05138	2.4
191.05685	0.8
192.06494	0.6
197.04730	0.6
202.02710	0.6
202.05264	0.6
204.03032	5.0
205.12427	0.6
210.05690	0.7
211.08841	1.1
211.12407	1.0
212.07298	1.3
218.02504	0.9
218.04578	13.1
219.05144	2.9
220.06154	1.3
223.08846	0.8
224.09418	3.8
226.03748	0.7
227.08327	0.9
237.06702	0.8
239.08278	1.3
239.11909	5.7
240.05388	1.3
240.10336	2.5
241.06161	1.6
243.11406	2.4
245.00876	1.0
246.01711	1.5
251.08281	1.9
252.09009	4.0
253.06036	1.6
254.06955	2.3
255.07817	3.5
255.11314	0.6
265.09857	1.2
266.08029	0.7
267.04413	0.5
267.07822	2.9
267.11414	16.6
268.09821	4.0
269.09341	5.3
271.02600	1.6
278.06940	0.7
281.05682	13.2
281.08633	0.9
282.06165	2.2
283.07544	1.1
283.10855	5.2
286.01321	0.8
293.09332	2.4
294.07068	1.1
295.07193	4.4
296.07971	7.0
299.06055	1.1
299.09396	0.9
309.08795	3.0
311.10394	100.0
312.10754	13.1
315.09683	1.7
327.09723	1.2
337.08319	12.6
338.08765	1.4
343.08264	5.5
343.12970	3.0
355.09363	34.1
356.09607	3.3
369.10959	1.3
387.07211	2.6
387.12027	14.4
387.19116	1.1
387.23764	3.2
388.12402	2.0
403.67896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03455	0.9
58.00606	0.3
59.01387	7.8
67.01887	0.6
68.99831	0.3
69.03463	1.0
71.01390	7.8
72.99314	0.3
73.02952	3.7
78.01106	0.5
78.48917	0.2
79.01885	1.3
80.23418	0.2
81.03452	0.3
82.00593	0.4
83.01385	2.6
85.02963	5.0
86.00092	0.5
87.00897	0.6
88.30772	0.3
89.02435	1.2
95.01401	2.9
97.02961	1.1
99.00868	1.2
101.02452	7.3
106.00633	0.3
107.01402	3.4
110.00134	0.3
111.00881	2.6
113.02460	3.2
116.92914	0.2
119.03518	0.4
121.62754	0.3
123.00896	18.8
124.01688	14.6
125.02464	15.7
126.02795	0.5
127.00392	0.6
136.98819	1.4
137.02399	0.3
139.00392	3.5
140.01176	3.1
141.01965	4.3
143.03450	0.3
151.00381	13.6
151.04016	0.4
152.00734	0.5
153.01926	0.9
159.02997	0.5
161.04558	1.5
163.04045	0.4
166.02615	0.3
168.00638	5.5
168.01981	0.4
169.01443	19.3
170.01726	0.6
179.03555	0.4
181.05055	0.5
225.14943	1.3
235.11833	0.4
253.03513	0.4
313.05807	0.6
319.18399	0.3
327.09460	0.2
387.12991	100.0
388.13330	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
57.14487	0.5
58.76684	0.5
59.01385	4.8
67.01914	0.8
69.03455	0.6
69.39870	2.1
71.01389	4.6
72.48698	0.6
73.02950	2.1
79.01871	0.8
82.00576	0.7
83.01374	1.6
85.02963	2.9
87.00906	0.9
89.02422	0.5
95.01398	2.2
97.02940	1.4
99.00922	0.9
101.02441	4.4
107.01417	4.6
111.00897	2.3
113.02441	1.8
122.42583	0.5
123.00899	20.7
124.01685	22.7
125.02476	15.6
126.02808	0.6
127.00375	0.5
136.98816	1.2
139.00369	3.6
140.01131	2.5
141.01968	3.6
151.00389	13.3
153.01926	0.9
166.02806	0.6
168.00623	4.8
169.01440	18.3
170.01859	0.5
171.77667	0.6
229.65224	0.6
239.43195	0.5
313.05896	1.3
387.12991	100.0
388.13397	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	387.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.2
69.75932	3.5
69.76280	3.0
71.01389	3.4
79.01967	1.5
82.45943	1.5
85.02962	4.4
98.21937	3.1
101.02451	1.8
109.02872	1.7
121.02938	1.7
123.00899	8.4
123.04542	2.3
124.01692	5.2
125.02448	11.9
132.86578	1.8
137.02441	5.3
138.03239	1.7
149.02452	1.5
150.03220	1.7
151.00377	6.0
151.04021	20.2
152.04330	1.6
165.01952	2.6
166.06354	5.9
167.03510	3.8
168.00688	1.6
169.01471	11.6
177.01938	8.9
179.03503	2.5
180.04276	2.2
192.04376	7.6
194.02200	1.9
194.88982	1.4
195.02991	36.5
195.04669	2.8
195.06645	2.7
196.03404	1.7
198.05240	1.6
209.04601	35.2
210.05357	47.4
211.05768	2.3
224.06931	18.9
225.07692	100.0
226.08092	6.1
245.35489	1.6
257.16229	1.8
294.11514	1.6
311.73059	1.5
327.12384	2.0
343.16263	3.1
378.52954	1.7
387.04739	1.3
387.09225	34.9
387.13559	3.7
388.09747	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	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.9
57.03453	2.3
59.01384	23.2
59.93491	0.3
67.01870	0.5
68.99836	0.6
69.03451	0.8
71.01385	21.4
71.05024	0.5
71.43983	0.4
72.01717	0.3
72.99306	0.5
73.02950	8.1
75.83027	0.4
80.18967	0.3
81.03471	0.4
83.01387	4.3
83.23901	0.4
84.02170	0.9
85.02961	10.6
87.00887	1.4
89.02451	11.3
92.02692	0.6
93.03464	1.5
95.01397	2.8
96.95995	0.6
97.03031	0.7
99.00877	2.7
101.02453	19.1
107.05038	0.6
108.02216	2.1
109.02982	3.4
111.00878	0.9
113.02460	9.3
119.03515	4.1
119.05067	0.6
121.02967	5.6
122.03767	3.8
123.00898	4.1
123.04547	1.0
124.01705	0.8
125.02490	2.2
133.02919	0.5
134.03755	0.8
135.04521	1.1
136.01675	74.8
137.02495	14.5
138.02919	0.6
139.03978	0.5
143.03523	1.2
145.03029	0.5
149.02496	1.7
149.04549	0.5
149.06070	0.7
150.03175	0.8
151.00412	15.3
151.04021	100.0
152.01195	2.0
152.04608	4.4
153.09207	0.5
154.02780	0.4
159.02985	1.8
159.04514	1.3
160.05299	1.5
161.02455	1.0
161.04567	6.4
162.03207	2.4
163.04025	1.6
164.04860	0.4
165.01968	1.7
166.02728	39.2
167.03409	3.3
168.04039	0.4
168.89935	0.4
169.01521	0.4
169.12622	0.3
173.02431	0.6
175.04015	1.6
175.07677	1.2
176.01093	0.7
177.01959	3.0
177.05620	1.7
178.02559	0.4
179.03519	1.4
179.05637	1.3
181.05087	59.2
182.05412	2.6
187.04039	0.8
189.05568	1.1
190.02750	1.1
190.06386	1.0
191.03499	1.3
192.04256	0.8
193.05115	0.9
195.03087	0.7
195.13911	0.5
203.03401	0.5
203.07333	0.4
205.05081	1.0
205.08704	1.3
206.05879	0.4
207.06587	0.6
207.13911	1.1
209.00876	0.7
210.05573	0.4
218.02098	0.3
219.06732	0.5
225.14975	4.0
243.03000	0.4
246.01749	0.8
247.02299	0.4
271.02487	0.6
271.06067	0.9
279.50696	0.4
281.12402	0.4
284.06921	0.6
287.09207	0.8
299.06021	0.4
299.09265	1.3
311.10117	0.4
327.08624	0.6
329.10303	2.8
330.10464	0.6
331.08212	0.9
341.13950	1.4
343.08173	2.3
357.09827	20.9
358.10098	2.3
372.12155	13.4
372.16962	0.4
373.12399	1.8
387.14493	37.0
387.20203	26.2
388.14825	5.0
388.20596	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
62.04066	1.1
69.14008	6.0
73.02954	1.5
93.03498	1.1
109.02964	1.1
119.05007	1.3
121.02901	1.1
121.06602	2.1
123.00880	5.1
125.02394	1.6
131.05069	1.7
136.01678	1.3
137.02470	5.6
138.03229	12.8
145.02963	2.0
146.03716	3.1
147.04536	4.5
148.05360	10.3
149.06111	8.5
150.03223	1.8
151.04022	3.1
153.05589	20.8
154.05901	1.4
158.03720	2.5
159.04532	17.1
160.05298	24.1
161.02472	1.5
161.06087	5.5
162.03247	4.9
162.06873	1.7
163.07698	1.2
165.01971	7.8
173.06042	2.1
174.03239	10.7
174.06874	1.4
175.03914	1.2
175.07660	8.6
176.04791	6.2
177.05582	100.0
178.06349	32.8
179.03487	4.0
179.06883	1.9
180.04309	6.9
187.04021	10.4
188.04779	14.8
191.03459	1.6
191.07153	31.3
192.04330	2.6
192.07907	19.3
193.08557	1.6
194.05862	2.9
195.06621	3.9
203.07147	86.1
204.07440	4.7
205.05078	1.2
206.05846	19.3
206.07672	1.6
207.06302	2.3
210.05336	10.4
219.06667	3.4
220.07405	5.2
221.08197	85.0
222.08633	7.1
224.06932	18.4
224.09074	1.4
225.05441	1.5
225.07397	1.3
231.35478	1.0
233.08197	1.7
238.06345	1.3
239.07085	1.1
240.07906	1.4
249.05606	1.5
251.07275	1.6
267.06821	1.8
268.07495	3.0
278.05780	1.7
295.06219	2.8
310.08398	1.6
311.09213	4.2
313.10522	1.9
321.07642	1.2
324.06439	1.6
324.09808	1.2
325.10889	1.4
326.11459	1.8
327.08661	1.8
328.09402	1.7
329.13956	3.0
336.10129	2.1
339.08698	6.5
341.13983	1.8
343.08087	1.2
343.11789	5.6
354.11118	3.7
357.13422	6.9
369.13437	22.3
370.13959	2.0
387.14566	24.2
387.24057	6.4
388.14929	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
52.84521	0.6
58.00606	0.6
59.01387	95.0
60.01716	1.0
70.59606	0.5
71.01393	18.2
71.01793	1.0
72.99282	0.8
73.02954	1.1
73.25626	0.5
83.01402	1.8
85.02971	4.7
87.00874	0.6
89.02460	16.4
93.03484	0.8
94.65092	0.6
95.01409	1.7
97.84306	0.5
101.02467	10.9
113.02473	6.8
119.03508	5.3
121.03017	0.7
125.02461	1.3
147.08176	0.6
148.47537	0.5
153.57491	0.5
163.11302	5.5
181.82390	0.6
191.03674	0.6
207.10286	15.1
208.10608	1.1
225.11284	0.6
269.07758	0.8
339.10547	0.6
387.16641	100.0
388.17010	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	387.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	94.2
60.01725	0.7
62.09359	0.7
69.47439	2.7
71.01389	19.1
73.02969	0.9
79.61548	0.7
81.95345	1.1
83.01368	1.1
83.79551	0.6
85.02966	4.3
85.03413	0.6
87.00873	3.4
89.02454	18.7
95.01399	1.1
96.96033	1.8
98.95629	3.5
101.02457	11.0
102.45396	0.8
103.86409	0.6
109.06626	0.7
113.02468	6.0
119.03513	6.4
125.02483	1.6
131.03497	0.8
137.06123	0.8
143.03471	1.0
147.04617	0.7
149.06038	0.8
161.44009	0.7
163.11307	40.9
164.04800	9.2
164.11600	1.8
165.09267	2.2
169.01447	0.8
175.07680	2.2
190.06334	1.5
193.08719	12.5
201.09268	2.3
207.10315	1.1
219.10347	1.8
229.08691	0.9
235.09795	1.7
237.11328	0.9
245.08398	1.0
273.07770	0.9
309.09790	1.9
351.10916	2.8
369.11884	11.0
369.15866	1.5
370.12488	1.1
387.12546	7.5
387.16699	100.0
388.12964	0.9
388.17120	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	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03452	6.4
58.99215	0.9
59.01384	54.0
66.34529	0.8
68.60424	0.6
69.03465	1.4
69.33898	1.2
69.34299	2.5
71.01388	51.5
71.05032	3.0
72.01728	1.2
72.99316	2.4
73.02949	12.0
74.15570	0.7
75.00881	0.9
79.01919	1.0
79.95745	3.6
80.96525	2.2
81.03470	1.5
81.95320	6.4
82.96103	2.7
83.01384	5.3
85.02954	18.2
86.03290	0.9
87.00871	5.5
89.02454	28.2
93.03482	0.7
95.01386	4.6
95.05049	2.7
96.96021	21.6
97.02942	3.8
98.94959	1.4
98.95621	29.6
98.96442	4.8
99.00910	3.9
99.04536	1.0
101.02451	30.3
102.02820	1.1
106.57787	0.8
107.01418	2.0
109.06602	2.4
111.00903	1.9
111.04533	1.4
113.02458	22.4
119.03513	10.0
121.02988	1.0
122.75619	0.9
123.00905	9.9
124.01685	10.3
125.02475	10.7
129.01982	1.1
131.03526	1.8
134.41792	0.7
136.05318	1.0
136.98911	0.9
137.02412	0.9
137.06175	1.1
137.09789	2.3
138.06885	18.9
138.07855	1.3
138.97093	1.3
139.00455	2.0
139.07234	1.2
140.01221	2.0
140.96664	1.6
141.01982	2.2
143.03551	2.9
147.44299	0.7
148.75529	0.7
151.00398	6.6
152.08502	0.7
152.96649	0.8
153.01950	0.7
153.09229	51.5
154.08534	0.7
154.09541	3.3
159.03021	3.3
161.04578	14.6
161.05878	1.2
164.04787	5.1
165.09247	1.8
165.12878	1.0
168.00696	4.8
169.01451	11.5
175.07742	1.0
179.03787	0.8
179.05666	2.6
181.05162	0.8
181.47762	0.7
183.10280	2.4
192.11664	0.8
193.08707	7.7
194.09137	1.1
201.09232	1.2
207.13953	5.4
217.01508	1.0
218.02332	1.0
219.10486	1.1
225.14980	71.3
226.15321	6.1
229.01553	0.8
241.00378	1.3
242.00626	0.7
242.99812	4.9
246.01834	0.8
247.02614	1.2
258.99930	0.7
259.72885	0.7
269.07947	1.4
271.02618	0.9
273.07745	1.2
309.10016	0.9
315.08780	1.1
325.09573	0.7
343.08221	4.1
351.10953	2.3
369.11896	8.7
370.12256	1.0
387.12738	100.0
388.13293	10.2
388.20993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03452	6.4
58.99215	0.9
59.01384	54.0
66.34529	0.8
68.60424	0.6
69.03465	1.4
69.33898	1.2
69.34299	2.5
71.01388	51.5
71.05032	3.0
72.01728	1.2
72.99316	2.4
73.02949	12.0
74.15570	0.7
75.00881	0.9
79.01919	1.0
79.95745	3.6
80.96525	2.2
81.03470	1.5
81.95320	6.4
82.96103	2.7
83.01384	5.3
85.02954	18.2
86.03290	0.9
87.00871	5.5
89.02454	28.2
93.03482	0.7
95.01386	4.6
95.05049	2.7
96.96021	21.6
97.02942	3.8
98.94959	1.4
98.95621	29.6
98.96442	4.8
99.00910	3.9
99.04536	1.0
101.02451	30.3
102.02820	1.1
106.57787	0.8
107.01418	2.0
109.06602	2.4
111.00903	1.9
111.04533	1.4
113.02458	22.4
119.03513	10.0
121.02988	1.0
122.75619	0.9
123.00905	9.9
124.01685	10.3
125.02475	10.7
129.01982	1.1
131.03526	1.8
134.41792	0.7
136.05318	1.0
136.98911	0.9
137.02412	0.9
137.06175	1.1
137.09789	2.3
138.06885	18.9
138.07855	1.3
138.97093	1.3
139.00455	2.0
139.07234	1.2
140.01221	2.0
140.96664	1.6
141.01982	2.2
143.03551	2.9
147.44299	0.7
148.75529	0.7
151.00398	6.6
152.08502	0.7
152.96649	0.8
153.01950	0.7
153.09229	51.5
154.08534	0.7
154.09541	3.3
159.03021	3.3
161.04578	14.6
161.05878	1.2
164.04787	5.1
165.09247	1.8
165.12878	1.0
168.00696	4.8
169.01451	11.5
175.07742	1.0
179.03787	0.8
179.05666	2.6
181.05162	0.8
181.47762	0.7
183.10280	2.4
192.11664	0.8
193.08707	7.7
194.09137	1.1
201.09232	1.2
207.13953	5.4
217.01508	1.0
218.02332	1.0
219.10486	1.1
225.14980	71.3
226.15321	6.1
229.01553	0.8
241.00378	1.3
242.00626	0.7
242.99812	4.9
246.01834	0.8
247.02614	1.2
258.99930	0.7
259.72885	0.7
269.07947	1.4
271.02618	0.9
273.07745	1.2
309.10016	0.9
315.08780	1.1
325.09573	0.7
343.08221	4.1
351.10953	2.3
369.11896	8.7
370.12256	1.0
387.12738	100.0
388.13293	10.2
388.20993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03445	2.9
59.01384	100.0
60.01720	0.9
65.65572	0.5
69.03447	0.6
69.75250	1.1
69.75627	1.0
71.01389	18.6
71.05028	0.6
72.99332	0.9
73.02956	8.5
73.03326	0.8
83.01414	3.6
85.02962	8.4
87.00899	1.2
89.02467	2.1
95.01413	1.7
97.03013	0.6
99.00876	2.5
99.04543	1.7
101.02451	12.4
113.02464	7.8
113.03183	0.9
119.03501	0.6
125.02475	2.1
132.02156	0.5
139.05774	0.6
143.03516	1.5
159.03050	1.6
161.04584	8.2
163.00404	0.7
165.12880	0.7
167.05147	0.5
169.01469	0.8
183.13896	2.7
185.02551	0.8
190.02814	0.8
190.99892	3.0
201.99156	0.6
202.99944	1.6
203.05679	0.7
218.02396	1.0
219.08786	4.0
226.02693	0.7
229.05159	0.7
234.01840	1.1
241.05092	6.3
245.08269	0.7
246.01718	1.8
246.98816	1.2
256.09906	0.6
257.04550	1.0
257.98062	0.6
261.00476	0.8
273.07703	0.9
285.07816	2.7
311.02072	0.7
311.05505	0.6
312.10178	0.5
327.18179	1.1
341.02811	0.6
343.08209	1.0
345.19171	5.0
345.22772	0.6
355.04691	0.8
387.07333	1.9
387.15421	0.6
387.20276	1.7
388.08093	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	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38569	42.6
59.01403	63.7
61.98831	100.0
67.91153	47.7
71.11445	74.0
71.65460	46.7
124.62476	47.9
136.60010	50.5
149.14961	53.2
162.92986	48.9
169.31828	46.7
265.35184	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02568	28.6
53.87362	29.7
59.01360	51.6
60.04155	31.2
61.24835	31.8
70.78139	54.6
78.56106	32.0
78.62265	36.4
84.26386	32.9
89.02472	51.2
125.02390	41.0
139.77513	37.9
144.03020	80.8
146.61447	34.4
163.37115	32.4
176.07887	35.9
237.81735	33.9
239.97154	37.5
289.68228	39.4
311.78275	32.6
389.10855	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	388.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42288	15.2
57.49374	15.6
59.01386	15.7
61.98838	100.0
79.58990	13.9
95.05631	14.3
117.11330	18.9
130.10446	16.2
152.23804	20.5
195.30048	15.3
262.94672	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	388.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	84.3
65.88270	18.4
69.48253	76.4
69.48622	35.2
71.01377	69.1
73.02952	21.6
85.02950	53.8
87.83973	16.0
98.21927	25.3
101.02473	46.6
111.90244	18.0
112.55515	16.8
113.02452	41.4
145.63133	15.2
161.04570	62.5
183.13773	17.9
190.99896	60.5
202.99838	39.2
209.32390	14.9
219.08789	25.1
226.02484	21.1
227.12868	28.6
229.04883	19.8
234.01736	19.4
241.05063	100.0
271.08826	17.7
273.20688	56.5
285.07690	39.7
287.56631	17.6
345.19049	23.4
357.69632	16.6
388.08051	57.5
389.25446	36.6
411.18948	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.8
59.11906	0.3
60.54900	0.4
69.24203	2.0
71.01388	6.4
72.99331	0.5
73.02955	1.5
79.95744	6.7
80.96539	0.6
85.02960	2.3
89.02459	5.5
93.03475	0.5
95.01407	0.6
96.96034	0.8
98.22743	0.7
99.00906	0.3
101.02455	3.3
107.05038	0.9
113.02451	3.2
115.00325	0.4
119.05039	100.0
120.05378	5.0
120.99662	1.0
123.00944	0.4
125.02455	0.7
125.68456	0.3
133.01442	1.0
135.04546	14.4
143.03487	0.7
145.02980	0.5
147.04355	0.3
155.10825	1.0
161.02470	0.8
161.04573	1.2
163.04037	5.8
167.71214	0.3
169.01447	0.5
175.03981	0.5
179.05591	0.9
189.01962	1.0
192.02998	1.4
192.84517	0.4
195.06755	0.4
199.00720	37.6
200.01041	2.4
208.07758	0.3
209.11847	1.5
214.02588	0.4
215.00220	22.8
216.00496	1.0
217.01372	0.7
224.05637	0.6
227.12920	0.5
227.16519	1.4
229.01373	0.4
229.08675	1.4
242.99657	3.9
245.00880	0.7
259.99606	1.2
261.00446	2.7
273.07474	0.7
275.02380	2.3
300.99936	1.5
327.12604	0.4
357.06165	0.5
362.03003	0.9
376.02438	0.6
389.05435	22.2
389.17896	1.6
389.26038	1.6
390.05655	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	389.0882
Annotation	Hibiscetin 3,8,3',4'-tetramethyl ether
Peak:m/z	Relative Intensity
59.01386	5.6
67.20594	0.5
70.64494	0.5
70.64821	0.7
71.01389	3.1
73.02940	1.0
83.01381	0.9
85.02937	1.6
89.02439	1.8
95.01412	0.6
96.96021	0.8
101.02449	1.9
101.72009	0.6
111.00855	0.7
113.02456	1.5
115.04030	6.1
118.25198	0.5
123.00862	0.8
135.04584	0.6
145.06544	0.8
147.04492	0.9
159.04565	1.4
173.06027	1.2
175.04022	2.0
177.01915	1.7
179.03459	0.8
183.04538	0.9
185.06140	0.8
186.03226	0.8
189.01913	1.5
190.02724	3.5
191.03505	2.0
201.05528	1.2
202.02690	1.2
203.03508	29.0
204.04207	4.2
211.04092	2.6
212.04697	0.8
214.02812	1.2
215.03514	1.3
216.04291	0.9
217.01410	0.6
225.05544	0.5
226.02878	1.3
227.03516	12.3
227.06934	0.9
228.04124	2.3
229.05058	40.7
229.12343	0.8
230.05556	4.3
231.06610	0.7
240.04227	0.7
242.05678	0.6
243.02977	3.4
243.06587	1.2
244.03732	0.7
244.07333	0.8
245.04655	0.7
245.08188	1.2
245.11703	0.8
247.06192	0.6
253.04596	0.5
254.05830	0.6
255.02956	1.7
255.06653	3.0
255.10248	1.9
255.16498	0.6
270.08923	0.6
271.09769	12.1
272.03357	0.6
272.10034	1.2
273.04053	4.0
273.07745	4.3
273.11337	15.0
273.14276	1.1
274.04626	1.0
274.11734	1.0
283.06192	1.7
283.09766	4.4
299.09238	12.6
300.09775	0.7
300.99872	1.4
301.07123	1.8
301.10809	8.0
302.07999	1.0
302.11200	0.9
309.07520	0.9
309.13712	1.6
317.10229	2.0
327.05075	0.9
327.08774	13.3
328.09134	0.8
329.64536	0.6
343.07852	0.7
345.09790	5.5
346.10245	0.6
362.02692	1.0
371.07813	1.2
389.08786	100.0
390.09131	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1093
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01878	1.2
57.03440	0.5
58.53178	0.5
59.01382	6.3
67.01900	0.9
69.60025	1.5
69.60435	0.8
71.01385	5.7
73.02949	2.4
75.00887	0.4
78.01106	0.8
79.01901	1.0
83.01379	2.1
85.02957	3.7
87.00862	0.8
89.02428	0.9
95.01403	1.8
97.02965	1.1
99.00859	0.8
101.02448	5.3
107.01413	4.1
107.76694	0.4
111.00883	1.5
113.02452	2.5
118.22501	0.4
123.00891	19.7
124.00761	0.5
124.01678	15.0
125.02457	17.5
126.02821	0.7
132.06528	0.5
136.98880	0.5
139.00395	3.4
140.01196	2.4
141.01939	3.6
147.84293	0.5
151.00380	14.3
153.01941	1.0
154.99875	0.4
161.04520	0.9
166.99841	0.6
168.00667	3.6
169.01436	22.2
170.01755	1.2
300.99777	0.8
313.05716	1.9
389.10904	100.0
390.11258	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.161
Annotation	Flibanserin
Peak:m/z	Relative Intensity
52.45141	0.8
54.86808	0.6
57.61600	0.7
59.01388	7.3
60.03087	0.7
60.40801	0.7
63.69669	0.6
69.12722	3.6
69.13129	1.7
70.71474	0.7
71.01379	2.1
73.02943	3.5
75.85571	0.6
89.02459	0.9
98.22641	1.1
101.02453	1.2
101.03958	0.9
108.02184	1.7
109.02956	1.0
117.03481	1.2
119.05024	3.3
123.00912	0.9
123.04523	1.4
125.02424	1.0
130.04247	1.3
135.04529	1.1
136.01660	3.8
137.02464	7.5
138.03191	1.3
139.00343	1.6
145.02982	10.9
146.03609	0.8
147.04538	15.3
149.02443	0.8
150.71786	0.9
151.04018	14.5
152.04773	2.0
153.01974	1.6
158.03703	1.1
159.04535	0.9
160.05324	0.8
161.02371	0.9
161.04680	0.7
161.06102	2.6
162.03279	3.6
163.04030	20.8
164.04533	1.2
165.01848	0.9
166.06361	3.0
167.03484	0.7
168.04265	0.7
173.02435	5.6
173.05966	0.8
174.03242	17.2
175.04019	70.6
176.04805	24.7
177.05591	6.4
178.02802	1.5
179.03488	2.4
180.04300	11.1
181.05026	1.1
185.11981	0.8
188.04807	12.1
189.05602	23.2
190.06377	59.3
191.03592	1.6
191.07152	48.3
192.04282	3.0
192.07468	2.5
193.01366	0.9
193.05080	15.9
194.05841	13.0
203.07135	5.8
204.07922	1.4
205.08711	49.1
206.05865	1.5
206.09006	3.6
207.06660	13.9
208.07422	47.0
209.07758	2.0
222.06996	1.3
222.08978	12.9
223.09686	5.0
299.16721	1.1
347.17014	0.8
359.11234	2.4
371.18683	1.4
374.13721	8.3
389.16068	100.0
389.25366	8.0
390.16422	12.8
390.25403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.8
59.01383	20.8
73.02939	5.9
84.91258	3.2
117.03575	2.8
119.05004	3.3
121.02924	5.1
122.03769	3.6
123.00970	3.7
125.02498	5.2
132.77597	2.8
137.02478	5.5
145.02963	4.9
147.04593	4.6
160.05296	3.8
163.03989	12.2
169.01337	5.6
173.06126	3.1
174.03220	5.9
175.04012	36.3
175.07603	5.0
176.04694	9.2
177.05592	4.6
180.04309	6.4
188.04758	7.2
189.05568	14.5
190.06381	34.5
191.07092	27.0
193.05083	11.9
193.08672	3.5
194.05783	3.5
205.08698	25.1
207.06586	10.6
208.07381	27.0
222.08884	3.4
227.03540	4.0
268.22525	3.2
284.30020	4.0
299.16531	6.3
301.00006	5.1
301.10974	4.5
317.17163	3.1
344.12784	5.9
345.09674	3.4
357.06088	3.5
359.15036	100.0
360.15369	10.7
371.18869	5.9
389.08936	3.5
389.19849	14.0
389.25424	61.6
390.25693	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	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	10.5
61.37872	2.6
78.20768	2.0
87.04504	2.9
93.03478	3.5
107.41248	2.0
121.02973	14.0
135.04524	2.6
146.03740	32.4
147.04457	4.3
149.02457	100.0
150.02759	4.0
161.06075	13.1
164.04802	38.2
165.05545	6.7
171.10287	19.4
179.07159	48.2
179.09735	2.0
220.69501	2.0
223.09647	2.3
277.98840	2.4
283.09967	3.4
312.10092	27.5
313.10333	4.0
315.71460	2.3
317.26904	2.4
327.12408	83.8
328.12811	8.5
345.09625	2.9
357.06339	2.3
359.00491	6.1
374.02615	3.0
389.25317	17.5
390.25836	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	389.1822
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
51.39644	0.4
55.01880	1.0
57.03458	0.9
59.01384	65.2
59.56441	0.4
60.01718	0.7
69.09148	2.6
71.01385	10.4
73.02942	4.1
83.01395	2.3
85.02957	5.7
87.00893	1.0
89.02447	3.4
89.27221	0.4
95.01398	1.4
99.00903	1.0
100.15299	0.4
101.02459	9.0
111.00902	0.6
113.02457	4.3
119.03531	1.6
119.05109	0.5
120.66479	0.4
121.02984	0.5
123.00906	1.0
124.01664	1.0
125.02457	1.7
133.03059	0.5
141.01401	0.4
145.02966	0.6
147.04555	0.7
149.09753	0.5
151.00395	0.8
161.02455	1.2
161.04588	1.3
166.02699	1.3
168.00624	0.7
169.01408	1.2
175.04045	0.5
177.01886	0.6
189.01912	0.7
190.02831	0.6
191.03589	0.8
201.02029	0.9
203.03497	0.7
227.13127	0.5
229.01477	1.2
231.03014	0.5
231.18114	0.4
247.02393	0.5
249.04034	0.5
255.03014	0.5
257.01035	0.6
271.02509	0.5
272.02960	0.6
273.00430	0.5
274.00989	0.5
275.02023	2.0
287.09317	0.4
300.02350	0.7
300.99960	3.1
301.03018	0.7
307.04593	0.8
307.54846	2.7
308.04813	0.4
329.16193	0.8
348.03149	0.5
362.02774	2.1
371.16946	0.9
376.02380	1.0
389.18185	100.0
390.18521	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	389.1822
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.55584	0.7
57.03450	0.9
59.01382	15.8
63.84013	0.7
67.35592	0.8
71.01393	2.9
73.02953	2.8
82.85226	0.9
85.02972	1.7
87.04541	0.8
89.02449	1.2
101.02461	5.9
111.08157	1.6
113.02469	2.0
121.41266	0.7
124.75853	0.8
130.72392	0.7
165.12862	31.1
166.13167	2.1
183.13914	75.0
184.14307	5.5
197.15483	6.4
207.13969	5.3
209.11862	5.9
225.14894	6.7
227.12904	100.0
228.13266	7.7
239.86565	0.8
251.12976	5.1
269.13980	9.4
270.14505	0.8
299.15039	2.4
329.16098	8.6
389.18173	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45525	0.5
50.54751	0.5
56.07804	0.6
57.03435	1.0
58.00589	0.6
59.01390	5.6
69.35568	3.2
69.57674	0.6
71.01386	2.7
73.02953	3.4
76.32476	0.5
85.02918	0.9
88.19978	0.5
97.06580	1.0
98.10678	0.6
101.02476	6.3
111.08179	1.7
113.02440	0.9
125.02445	0.8
165.12868	27.1
166.13171	1.9
167.14430	1.5
183.13910	73.6
184.14288	3.3
195.13934	1.0
197.15492	9.9
198.15858	1.6
207.13916	4.3
209.11838	7.2
222.02267	0.6
225.14969	8.6
226.15337	0.9
227.12909	100.0
228.13223	7.2
241.14485	1.1
251.12901	1.4
269.11096	0.7
269.13989	14.0
270.14297	1.4
299.15002	2.1
329.16055	9.1
330.16321	0.9
330.47983	0.6
361.67511	0.7
389.18021	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	389.2183
Annotation	Rehmaionoside A
Peak:m/z	Relative Intensity
55.01881	6.2
57.03453	6.0
58.00603	1.3
59.01383	66.2
68.98547	0.7
69.03465	1.5
69.54419	2.3
71.01387	100.0
71.05025	13.9
72.01711	1.7
72.99311	1.3
73.02952	28.6
75.00883	1.1
81.03464	1.3
82.49654	0.5
83.01394	10.5
85.02956	37.3
86.03333	0.7
87.00896	3.3
89.02452	31.1
95.01392	5.8
95.05031	0.9
97.02950	2.6
98.03751	4.6
98.21902	1.1
99.00895	9.6
101.02452	58.4
102.02766	1.2
111.00899	0.6
113.02459	41.7
114.02789	1.8
115.03970	0.7
119.03516	8.5
123.08173	1.4
124.05300	3.3
125.02465	2.4
126.81144	0.6
129.01949	1.6
131.03511	1.3
137.09720	5.4
138.06888	1.8
139.07664	17.6
143.03535	3.7
149.04613	0.8
153.09215	8.0
155.10793	57.8
156.11110	2.7
159.02994	9.6
160.03369	0.7
161.04568	45.4
162.04892	1.8
179.05652	2.3
204.78372	0.5
209.15504	1.9
227.16542	95.7
228.16858	6.8
389.21948	7.2
390.22186	1.0
409.12418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16785	100.0
115.70523	73.9
137.33922	74.6
139.13531	73.9
146.34781	77.1
164.93114	77.5
169.31192	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38656	38.1
61.98826	100.0
64.97044	37.4
70.63883	64.1
72.71057	30.5
73.83652	36.7
94.43981	31.8
98.22471	45.5
119.94692	36.9
192.45616	34.5
236.25826	39.4
287.35983	49.2
342.79688	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25714	0.6
53.29765	0.6
62.32054	0.7
65.99857	0.9
93.03422	1.0
107.80144	0.8
108.02186	40.4
114.03526	1.1
115.04296	15.7
116.04674	0.7
118.03011	4.3
123.00909	0.9
131.03761	1.4
156.05833	2.1
166.06700	1.3
168.04552	0.9
178.06548	0.7
179.07410	4.8
181.05286	1.0
194.06160	6.6
195.06834	2.8
196.05196	0.9
222.05675	4.8
223.06406	100.0
224.06757	7.7
288.66843	0.7
300.99710	0.8
347.07156	1.0
358.13422	0.9
379.06277	1.5
390.12698	76.4
391.13083	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70583	4.9
59.01381	12.6
61.98835	71.4
66.40549	4.9
68.02541	7.3
69.36848	10.1
69.37242	16.6
71.01379	31.9
74.09585	5.4
78.95908	7.3
86.23331	6.6
87.88025	5.3
98.21894	11.9
115.00371	17.7
133.01384	13.9
133.02913	13.6
134.03766	55.1
161.76709	5.3
162.03247	33.8
163.92508	7.1
205.12291	8.4
223.13368	26.4
260.75433	6.8
275.09293	100.0
307.62210	6.6
346.92871	6.8
378.60278	6.0
391.03784	9.3
391.15338	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1038
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
59.01385	33.3
60.01686	0.5
69.03456	1.0
69.12389	1.3
69.12796	2.0
71.01386	4.9
73.02947	1.2
81.03450	0.7
85.02956	2.2
87.00888	0.8
89.02451	3.6
95.01427	1.2
97.02975	1.5
98.21905	1.3
99.00898	0.5
101.02423	2.8
104.28064	0.5
105.03445	0.8
107.01379	1.6
109.02943	0.6
113.02454	1.6
119.03506	1.6
121.02975	1.4
123.00879	2.7
123.04562	1.4
123.52760	0.5
124.01700	3.8
125.02460	31.5
126.02777	1.0
129.70940	0.5
132.02182	0.5
133.02997	1.1
135.04515	1.1
135.98318	0.7
137.02469	1.1
138.03249	1.2
139.00333	0.5
139.03958	0.6
141.01947	0.8
149.02452	3.4
151.04008	2.1
153.05573	1.2
156.09111	0.5
158.03777	0.7
159.04536	1.1
160.01718	1.2
161.02461	24.3
161.04572	1.1
162.02750	1.2
163.00246	0.6
163.04028	0.8
166.02693	1.3
166.99901	1.4
168.00595	1.6
169.01445	15.5
173.02403	0.7
174.03210	1.3
175.04008	1.0
176.01248	0.6
177.01956	1.4
178.02441	0.7
178.99832	0.8
179.03482	4.1
180.07922	1.5
181.05095	2.1
185.02393	0.7
187.04076	1.0
187.07654	1.4
187.38097	0.7
188.04765	0.8
189.01987	1.4
190.02509	0.9
191.03511	1.3
193.01425	21.2
193.03189	1.0
194.01761	1.6
200.04807	1.2
201.01871	0.7
202.02711	2.4
203.03481	1.3
205.01469	3.5
211.04128	0.8
211.13409	2.3
213.01962	1.5
214.02731	4.5
215.03313	1.2
215.07153	0.7
216.04308	1.0
217.01466	0.6
217.04991	0.6
223.02477	2.1
225.05513	0.6
227.03575	0.7
228.04224	4.3
229.01460	2.8
229.04956	0.9
230.02136	2.7
231.02994	0.8
240.04266	1.4
241.01480	1.6
242.02243	3.2
243.02953	1.7
243.06650	1.7
244.00139	0.6
244.03787	1.6
245.00845	2.8
245.04507	2.7
247.02512	0.9
254.02216	0.6
255.03017	2.0
255.06593	0.8
256.03751	4.4
257.01016	2.0
257.04507	1.1
258.01697	9.3
259.02466	4.4
259.06094	1.0
259.99588	1.1
260.02841	0.6
261.00366	0.7
267.03323	0.6
268.03745	1.1
269.04501	1.2
271.02325	1.4
271.06137	2.1
271.08936	0.6
272.03287	7.5
273.00842	1.1
273.04037	11.5
273.15027	0.7
274.04813	4.3
275.02026	2.7
275.09207	4.7
281.04568	1.4
284.03293	4.1
285.07916	0.7
286.01212	2.3
287.02457	1.0
287.05615	7.4
288.06384	12.8
288.09543	1.0
289.07004	3.9
296.06793	0.6
299.02377	0.5
299.05609	12.4
299.99185	0.8
300.02814	0.9
300.06046	1.5
300.99927	7.3
302.00351	1.4
302.04333	1.4
302.07980	4.1
303.08722	7.1
304.09006	0.7
314.07925	4.6
315.05188	1.7
315.08612	1.1
316.02277	3.5
317.03027	0.8
317.06992	0.8
317.10193	2.9
329.10321	16.4
330.10706	1.8
331.04593	7.3
331.08331	1.9
331.17352	0.9
332.05203	1.0
332.08984	1.1
333.06226	2.1
347.07431	0.9
347.11374	9.3
348.11902	1.1
359.07651	2.3
361.09357	1.3
373.09259	1.1
376.08044	3.5
377.08264	0.6
382.02789	1.4
382.52707	0.7
391.10388	100.0
391.53311	1.3
392.10751	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	391.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91232	0.6
57.03444	1.0
59.01389	12.9
69.03465	0.8
69.86201	2.1
71.01387	21.9
72.99316	4.1
72.99637	0.7
73.02953	1.7
74.48429	0.5
79.77020	0.5
85.02947	3.2
87.00887	2.4
87.04530	1.5
89.02457	5.4
95.01414	0.7
95.33832	0.5
101.02450	3.4
113.02469	1.9
115.00385	46.0
116.00674	0.7
119.03503	1.4
125.02456	1.0
125.06089	0.8
133.01443	100.0
134.01759	1.7
149.06094	0.7
149.13379	5.3
155.10626	0.5
158.03790	1.0
159.04521	1.4
161.04622	1.4
172.05299	3.1
173.06055	2.3
184.05309	0.6
187.04060	1.4
187.07661	26.6
188.08014	2.4
200.04730	1.0
201.05586	1.7
202.06331	6.2
203.10852	0.7
210.39027	0.6
211.13409	2.6
213.09239	3.9
213.12589	0.7
215.07198	2.8
221.09782	1.1
229.08607	1.6
231.06796	0.9
231.10278	19.5
249.14949	1.0
255.14026	0.9
257.08127	0.8
273.14941	3.2
275.02026	1.6
275.09274	12.3
276.09650	1.1
300.99826	1.3
336.17184	0.6
373.20135	3.9
373.24979	0.9
376.07990	1.1
391.10010	1.0
391.21234	10.8
391.27020	5.6
392.21756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76731	0.6
55.00966	0.5
57.03455	0.7
59.01387	4.7
69.03439	0.5
70.11657	1.6
70.51430	0.6
71.01391	20.8
72.01730	0.7
72.99318	3.0
73.02956	2.0
78.96947	0.5
85.02958	2.4
87.00891	2.2
87.04524	0.7
89.02459	3.3
98.22060	0.6
98.51945	0.5
115.00391	46.0
116.00716	0.8
119.03548	0.8
123.00910	0.7
124.01672	1.4
125.02467	4.1
133.01451	100.0
134.01831	2.7
153.12851	0.5
158.03731	1.0
159.04553	1.4
169.01439	3.2
172.05283	3.0
173.06075	2.5
173.83025	0.6
175.07657	0.7
178.06122	0.6
183.11833	0.8
184.05278	0.6
187.04071	1.2
187.07674	24.3
188.08086	2.1
199.04033	0.7
201.05537	3.0
202.06401	7.4
203.10925	1.1
211.11380	0.7
213.09216	5.0
215.07094	3.1
217.08759	1.3
221.09764	1.7
221.11842	0.6
229.01419	0.6
229.08751	0.8
231.10280	20.7
232.03027	0.8
232.10748	1.5
251.12854	0.8
257.08429	0.7
258.46371	0.6
259.99536	0.7
273.14981	5.2
275.02161	0.9
275.09290	14.9
276.09631	1.1
300.99966	1.2
301.18182	0.7
331.08481	1.0
332.08994	1.4
347.11230	0.8
348.08719	0.6
355.19067	0.6
365.93701	0.6
373.20233	4.6
376.07959	4.6
376.58337	1.1
382.08148	1.2
391.02866	0.8
391.10193	1.3
391.21332	12.6
391.27100	1.8
392.12671	0.6
392.21774	0.8
398.29349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
62.24130	1.0
62.91347	0.9
69.29702	4.0
69.82722	0.8
71.01385	15.8
72.99306	2.7
73.02930	2.1
85.02964	1.3
87.00895	1.9
87.04523	1.7
89.02437	2.5
93.59862	1.0
114.36800	1.0
114.90531	1.1
115.00387	37.0
115.44722	1.0
116.00677	1.1
133.01442	100.0
134.01773	2.7
137.48668	0.9
159.04492	1.3
172.05280	4.1
173.06052	1.7
186.97075	1.0
187.04030	1.7
187.07639	25.5
187.09192	2.0
188.08020	1.9
196.07434	1.2
201.05484	1.9
202.06377	6.2
211.09869	1.4
213.09206	4.9
215.07043	3.0
221.09697	1.1
231.10283	20.1
245.00380	1.3
257.08215	3.0
273.14996	2.4
275.02173	1.7
275.09314	14.8
276.09650	1.8
300.99841	2.3
373.20349	3.3
391.21088	7.7
391.26831	2.8
392.21625	1.0
398.41660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21142	0.4
56.89990	0.4
57.03449	5.1
59.01385	12.7
69.03465	1.8
69.17403	2.4
71.01396	5.9
72.02168	0.7
73.02950	6.1
81.03462	1.4
83.05040	1.1
85.02962	16.9
87.04526	5.4
89.02452	1.5
93.03490	1.0
95.05047	1.6
96.00935	1.3
97.06620	1.9
98.02505	1.3
99.04531	3.0
101.02471	1.8
107.05051	1.8
108.02199	0.9
109.06603	1.6
111.04597	0.6
111.08192	0.5
113.02523	0.5
113.03571	1.0
119.03477	0.6
119.05048	1.1
121.02973	5.2
121.06633	0.9
122.03762	2.9
123.00899	0.5
123.04551	3.0
123.08212	0.5
124.01673	0.7
125.02457	0.8
125.06135	2.4
130.08772	1.5
132.02229	1.0
133.02950	2.1
133.06599	0.6
134.03677	0.5
134.82614	0.4
135.04527	2.3
135.08234	0.9
136.05312	9.7
137.02470	0.5
137.06081	1.7
141.09213	0.6
147.04561	0.7
147.08275	0.4
149.02463	9.1
149.05023	0.4
149.06116	1.4
150.03250	31.3
151.04048	5.3
151.07619	2.6
153.02110	0.5
161.06102	0.7
161.09753	0.7
163.04045	0.7
163.07661	0.8
164.04776	2.9
165.05580	16.7
166.05991	1.0
168.07848	0.5
169.01494	1.7
171.08154	0.7
173.09695	0.7
177.09291	1.4
180.04330	1.2
181.05106	3.3
183.11774	3.8
185.09798	1.2
195.06642	19.0
196.07014	1.2
197.09779	1.2
199.07799	0.8
199.09727	0.7
199.11273	1.9
203.10832	0.7
205.12350	0.4
209.09848	0.7
211.11333	1.1
211.13257	0.6
213.09402	0.4
213.12938	1.0
215.10828	0.5
217.08714	0.9
219.11916	0.5
221.09772	10.4
221.11787	1.5
222.10266	1.4
227.14610	0.7
229.01685	0.4
229.12375	0.5
231.13953	1.6
233.09688	0.5
233.11882	1.3
235.11475	0.6
237.09227	0.5
237.13028	2.6
239.10730	2.7
239.14583	0.6
240.11348	0.5
241.08757	0.6
245.15588	0.7
247.17073	0.5
249.14977	6.4
250.12387	0.4
250.15370	1.1
251.12906	4.9
253.12370	0.7
255.13980	5.9
256.14255	0.7
259.13416	0.5
263.10754	0.5
265.16074	0.6
267.14011	1.8
267.75897	0.4
268.14639	0.8
269.08069	0.7
273.14990	34.2
274.15289	3.1
275.01898	0.5
275.12921	1.0
275.16711	0.4
277.14563	1.0
279.13925	0.8
281.15579	0.8
283.09744	2.6
283.17090	1.8
284.10568	1.7
285.15002	3.1
287.16446	0.6
291.16132	1.4
297.15036	1.5
299.16611	2.2
300.99997	1.9
301.18146	3.3
303.16095	1.8
304.16678	0.5
305.17624	1.2
311.09305	3.5
311.16666	0.8
313.14618	0.7
315.16156	0.5
317.17648	1.6
319.19238	2.1
321.15103	0.7
329.17545	1.9
337.18564	1.1
339.16171	1.2
343.11899	38.4
344.12262	5.4
347.18701	1.7
354.80807	0.5
355.19177	4.1
357.14386	3.1
373.20227	33.1
374.16724	0.8
374.20935	3.9
377.03363	0.5
391.13892	4.1
391.21301	100.0
392.21692	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	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.5
59.01384	100.0
60.01712	1.0
63.96247	0.8
71.01385	10.8
71.43327	0.5
72.99323	0.8
73.01197	0.5
73.02951	3.7
74.50703	0.4
74.99100	1.6
83.01425	1.3
85.02946	4.6
87.00904	0.8
89.02456	5.3
95.01413	1.9
97.02986	0.6
99.00909	0.7
99.04535	1.2
101.02454	9.3
107.01409	1.2
109.02982	1.1
111.00884	0.8
113.02457	5.6
117.97313	0.6
119.03534	2.1
119.05079	0.8
120.99672	0.5
121.03029	0.5
123.00901	3.0
124.01722	1.0
125.02454	6.3
132.29584	0.4
135.04585	1.4
135.98381	2.7
136.99196	1.0
137.02393	0.8
139.00420	1.0
140.01175	0.5
143.03543	0.9
145.02969	0.8
147.04535	0.6
149.02469	1.3
150.03221	1.4
151.00331	0.5
151.04019	0.6
153.09122	0.5
159.03055	0.9
159.04587	0.7
160.01765	0.5
161.02554	1.0
161.04556	7.0
165.05612	1.5
168.00545	0.5
169.01460	4.9
173.02469	1.1
175.03955	0.6
179.05682	0.7
183.86720	0.5
187.04156	0.5
189.01952	0.9
190.02516	0.9
193.01427	0.5
195.06717	1.1
201.01964	1.6
203.03546	1.2
214.02647	0.9
215.03249	0.7
216.00728	0.6
217.01469	0.9
219.03123	0.6
229.01514	2.1
230.02235	0.5
231.02887	0.7
243.99994	0.5
245.00856	0.5
247.02489	1.1
257.01080	1.3
259.99817	1.5
261.00427	0.8
273.00504	0.8
274.01242	0.6
274.04553	0.8
275.01993	4.2
288.09549	1.0
298.98227	0.7
299.99207	0.7
300.99939	8.5
302.00385	1.4
303.16510	0.6
314.24658	0.6
316.03146	2.5
331.08444	0.5
331.17612	8.4
343.12064	1.8
362.53021	0.6
376.08069	1.0
381.52124	0.6
382.02637	1.2
382.52979	0.6
390.52740	0.6
391.02771	2.3
391.10190	2.0
391.19189	2.1
391.24033	2.7
391.53467	1.8
392.03854	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03200	0.6
56.11850	0.5
57.03456	1.2
59.01385	100.0
60.01730	1.2
69.03483	0.8
70.54046	0.6
71.01388	8.0
73.02971	1.5
81.85304	0.5
85.02953	3.2
87.00930	0.5
87.04556	0.9
89.02460	9.8
89.03007	0.8
95.01407	1.0
97.06606	0.8
98.22649	1.2
101.02440	4.6
107.01350	0.6
113.02473	2.3
115.00438	1.6
119.03513	3.7
119.05045	1.1
123.00932	1.0
125.02492	2.3
125.06136	0.6
127.55531	0.6
128.21812	0.5
129.75287	0.5
133.01488	1.3
134.76381	0.6
143.03543	1.0
151.07758	0.6
161.04594	1.6
169.01489	2.1
179.05685	1.6
185.09639	0.6
187.07631	1.3
203.10930	1.0
211.13477	1.1
221.09885	2.0
229.01543	0.9
229.08766	1.1
231.10365	2.0
249.04366	0.6
249.15009	1.1
251.12886	1.1
255.13908	0.6
273.15042	5.5
275.02084	1.8
275.09213	4.4
301.00027	2.0
331.17770	0.7
373.20193	4.8
382.52924	0.6
391.02988	0.9
391.21295	13.0
391.53403	0.9
392.21643	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.73352	1.1
65.76925	1.6
71.01371	1.5
73.96789	1.4
79.66137	1.3
89.36758	1.4
98.22680	3.7
107.01395	1.5
125.02464	5.3
169.01434	4.5
229.01396	2.0
268.47906	1.5
271.79587	1.4
275.02017	3.5
300.99908	6.1
302.00311	1.9
361.55161	1.5
391.03055	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40036	4.0
54.29945	4.1
59.01388	27.5
63.52303	4.0
111.08153	15.7
141.90323	4.6
147.11731	4.8
165.12753	5.7
197.11842	69.6
198.12270	4.8
211.13397	5.2
215.10504	8.0
219.09848	5.1
233.11594	100.0
234.11996	5.6
275.01987	4.4
291.19675	18.8
293.12411	15.3
300.99939	7.7
309.20728	39.7
310.20966	8.1
313.17587	5.3
313.77112	4.9
331.18970	7.6
391.03162	7.1
391.29984	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	391.2128
Annotation	CHEBI:70376
Peak:m/z	Relative Intensity
50.71589	0.4
57.03452	4.8
59.01386	4.1
69.03448	2.1
69.26187	1.8
71.01394	3.3
71.05022	0.5
72.02167	0.9
73.02950	6.0
75.87075	0.4
81.03464	0.8
83.05034	1.1
85.02957	13.9
87.04517	4.8
89.02446	0.7
95.01373	0.7
95.05033	1.2
97.06584	1.2
99.04527	2.8
107.05019	1.8
109.06602	1.8
110.23581	0.4
111.04491	0.6
113.06098	0.6
120.05769	0.6
121.06635	0.9
123.04512	0.8
123.08163	0.6
125.02441	0.8
125.06111	3.5
127.07664	1.0
133.06598	0.5
135.08165	0.8
137.06097	0.5
139.07632	0.8
149.05984	0.5
151.07640	0.7
161.06068	0.5
163.07718	0.9
168.07939	0.7
169.01474	0.4
173.09744	0.9
175.07858	0.4
177.09245	1.2
183.11765	2.4
184.08949	0.5
185.09731	1.4
185.13351	0.5
187.11302	0.5
189.09264	0.5
189.12859	0.4
191.10794	0.5
195.10265	1.0
197.09671	0.8
198.10547	0.4
199.07596	0.8
199.11345	1.8
201.09254	0.4
201.12872	0.4
203.10878	0.9
209.09731	0.9
210.65810	0.4
211.11363	1.0
213.12840	1.0
214.51952	0.4
215.10818	0.9
221.09741	11.4
221.11760	1.0
222.10188	1.2
225.12819	1.0
229.12379	0.7
231.13866	2.1
233.11842	0.7
237.12996	2.8
239.10809	2.5
239.14513	1.0
240.11426	0.4
241.12395	0.7
245.15384	0.5
249.12759	0.7
249.14983	8.3
250.15472	0.5
251.10616	0.7
251.12901	6.6
252.13451	0.5
253.12300	0.7
255.13927	6.2
256.14276	0.7
257.15594	0.9
259.13266	0.5
263.10754	0.7
265.16214	0.5
267.13849	2.2
268.14395	0.5
273.14978	38.2
274.12552	0.8
274.15302	3.7
275.12903	0.8
276.13498	0.6
277.14456	1.6
279.13788	0.7
283.17084	1.4
285.15045	2.7
287.16559	1.0
291.16068	2.3
295.13318	0.4
297.14914	1.7
299.16632	2.5
301.18100	4.6
302.18259	0.6
303.16074	2.4
305.17593	1.7
311.16562	1.0
313.14459	0.6
316.02991	0.4
317.17587	1.8
319.19354	2.6
321.14886	1.0
329.17587	1.9
337.18378	0.9
339.16077	1.4
340.16992	0.5
347.18570	2.3
355.19211	4.6
356.19434	0.4
373.20212	32.2
374.20471	4.5
391.21283	100.0
392.21634	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	391.2342
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.01878	1.8
57.03447	2.3
58.00592	0.9
59.01383	100.0
60.01714	1.2
63.96240	0.4
69.03461	0.6
69.41618	0.6
69.42027	1.1
70.48254	0.3
71.01386	54.8
71.04998	0.5
72.01721	0.7
72.99306	2.0
73.02947	6.9
74.99108	0.6
75.00866	0.6
83.01394	3.9
85.02954	13.7
87.00888	2.3
89.02451	53.8
90.02789	1.0
93.87672	0.3
95.01392	4.2
97.02957	1.0
98.21845	0.7
99.00892	1.5
99.97744	0.3
101.02449	33.6
102.02766	1.0
107.01419	0.8
108.02209	0.7
109.02947	0.9
111.00853	0.7
113.02457	24.4
114.02782	0.7
119.03513	23.3
120.03860	0.4
123.00887	2.0
123.04503	0.4
124.01646	1.0
125.02451	3.6
131.03540	2.4
135.04543	1.4
135.98352	1.1
136.99162	0.8
137.02460	0.5
139.00366	1.3
143.03523	3.9
145.02896	0.5
149.04553	1.6
150.03250	0.4
151.00354	0.3
152.01161	0.8
159.03018	2.2
161.02448	1.0
161.04565	13.0
162.03049	0.3
162.04903	0.4
166.99940	0.4
167.10774	0.6
169.01440	5.1
173.02412	0.6
175.03987	0.6
179.05649	5.6
185.02463	0.4
187.13419	0.7
189.01900	0.8
189.23631	0.3
191.03560	0.4
193.05142	0.7
201.01956	0.7
203.03510	0.9
215.03270	0.4
229.01416	1.4
229.18068	2.8
231.03107	0.5
245.00928	0.4
257.00986	0.5
274.00995	0.4
275.01968	1.6
287.09314	0.8
300.99945	4.4
316.03281	1.7
317.10339	0.5
349.18716	0.8
373.20377	0.5
382.02420	0.5
391.02954	1.7
391.10214	1.0
391.23444	14.6
391.53036	0.9
392.03680	1.2
392.23676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61276	51.3
54.12947	52.4
55.63769	58.4
59.01387	88.4
70.83891	100.0
81.48191	53.2
87.06358	50.3
97.65354	46.5
104.59465	49.4
112.53325	50.3
125.69214	48.6
148.40924	53.7
150.25548	51.2
172.75319	58.5
182.45921	53.8
332.85208	48.4
406.55594	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	392.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
63.08637	5.3
69.79596	13.7
69.79935	9.1
69.89912	5.8
108.72279	4.6
111.99432	5.5
169.01512	8.7
228.90402	5.4
302.80557	5.9
393.15240	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	393.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32016	0.4
57.03477	0.8
59.01377	7.8
71.01377	3.3
72.99306	2.2
73.02938	0.6
75.00876	36.9
84.04161	0.5
85.02959	0.9
87.00890	0.9
88.85781	0.4
89.02456	6.3
95.01330	0.5
96.96030	4.2
101.02428	0.8
113.02435	0.8
117.01954	2.7
123.00893	0.5
124.01659	0.8
125.02458	1.9
135.03011	100.0
136.03358	2.0
152.06540	0.5
159.04541	0.8
169.01457	2.6
172.05257	3.1
173.06055	1.0
174.07014	0.6
183.04532	1.1
187.04060	0.6
187.07661	20.0
187.13417	0.5
188.08031	1.3
198.06784	0.5
199.04048	1.3
200.04747	1.5
201.05582	1.3
202.06407	1.7
213.09323	3.0
214.06389	1.1
215.07129	3.9
227.03621	2.8
228.04295	2.1
229.08669	2.6
231.06654	1.3
231.10257	6.7
231.16255	0.8
232.10622	0.6
257.08197	16.6
258.08441	1.2
275.09259	5.1
317.03931	1.0
325.30017	0.5
349.09561	0.7
353.76508	0.5
392.21512	0.9
393.12210	2.8
393.21619	1.8
393.28622	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	393.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.8
69.53424	1.6
71.01390	3.1
72.99319	2.4
73.02937	1.0
75.00881	31.6
85.02984	0.7
87.00880	2.1
89.02464	5.5
101.02425	0.7
107.01362	0.7
109.02956	1.5
115.00411	0.7
117.01939	3.0
125.02430	1.6
126.48886	0.5
133.01418	1.3
133.02943	0.9
134.03732	2.3
135.03017	100.0
136.03365	1.9
145.02969	0.5
146.03716	0.5
147.04521	1.1
159.04555	2.4
160.05196	0.6
162.03201	0.7
169.01428	1.6
172.05327	3.8
173.06041	1.8
174.06883	0.6
174.17586	0.4
175.04027	0.8
175.07605	0.8
175.88841	0.5
177.01950	0.8
182.03659	0.6
183.04562	0.5
185.09845	0.8
187.04074	1.4
187.07654	24.6
188.08031	1.5
199.04041	1.8
200.04816	1.7
201.05598	1.8
202.06393	3.8
203.07024	0.6
209.11906	1.6
213.09175	4.2
214.09464	0.5
215.07146	4.8
216.07770	0.7
227.03532	2.7
228.04240	1.8
229.08762	4.0
231.06804	1.2
231.10263	11.3
232.10616	0.9
257.08228	18.6
258.08606	1.9
275.09290	10.2
276.09576	1.1
305.17517	0.5
349.09201	0.5
364.08087	0.7
392.27420	0.9
393.12070	3.0
393.21292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01384	32.0
63.19222	0.9
69.09818	1.6
69.10222	5.1
69.70352	0.8
70.13824	0.9
71.01392	11.0
71.35686	0.8
72.63171	0.9
72.99318	2.1
73.02946	2.7
75.00877	36.0
77.14515	0.8
77.51061	0.9
83.01406	1.2
85.02962	2.5
87.00871	1.1
88.95334	0.8
89.02450	11.0
94.29403	0.7
95.01379	1.7
96.96052	1.2
99.04539	1.9
101.02460	4.8
107.01357	1.2
113.02434	4.1
117.01936	5.4
119.03516	2.8
123.00916	1.6
124.01672	3.6
125.02500	4.1
133.01408	1.2
135.03011	100.0
136.03342	2.8
139.00412	1.1
149.67020	0.9
150.03232	3.0
159.04532	2.2
161.04675	1.0
165.05609	3.5
169.01434	5.9
172.05336	4.2
173.06129	1.2
180.52365	0.8
182.02213	1.5
183.04582	1.0
187.04019	2.0
187.07669	21.2
188.08051	1.4
189.01965	1.5
195.06647	1.9
197.04553	2.7
199.03998	1.9
201.05492	1.2
202.06383	3.1
213.09229	4.3
215.07182	2.7
217.08742	1.1
219.91995	0.9
227.03407	1.8
228.04358	1.3
229.08713	1.9
231.06699	6.2
231.10263	9.6
257.08215	21.1
258.08624	2.1
274.15366	1.2
275.09305	10.3
276.09641	1.2
295.04410	1.0
317.05984	2.8
331.08078	1.1
333.19202	2.1
348.68533	0.8
392.21469	1.5
393.07913	2.6
393.21460	11.2
394.08984	1.5
394.21649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03446	0.7
59.01384	16.1
63.71192	0.5
66.14005	0.4
69.03445	0.5
69.11334	2.1
71.01390	5.0
72.99316	2.7
73.02959	1.6
75.00879	39.0
76.01173	0.5
83.01414	0.6
85.02960	1.8
87.00892	1.6
87.04530	0.7
89.02454	7.5
90.98581	0.4
95.01411	0.9
97.02972	0.4
97.06580	0.5
99.00896	0.5
99.61836	0.4
101.02451	2.3
113.02493	1.0
117.01937	2.2
119.03526	0.5
124.01685	0.8
125.02483	2.8
135.03015	100.0
136.03366	2.5
143.03540	0.7
149.02507	0.7
150.03247	1.0
159.04584	0.9
161.02525	0.5
161.04587	0.5
163.04105	0.4
169.01451	2.6
172.05325	4.0
173.06061	1.0
178.78670	0.4
182.02196	0.5
183.04535	1.1
187.07660	24.0
188.04703	0.4
188.08058	1.5
195.06645	0.6
197.04591	0.7
199.04031	2.1
200.04750	1.3
201.05559	1.6
202.06432	2.0
211.07697	0.5
213.09267	3.3
213.14925	0.5
215.07146	4.5
225.92755	0.5
227.03551	2.3
228.04269	1.8
229.08714	1.9
231.06769	1.0
231.10301	6.0
231.16006	6.1
232.10719	0.6
232.16467	0.5
244.23534	0.4
257.08218	19.3
258.08545	1.7
273.14771	0.4
274.15363	1.3
275.09277	5.5
289.13162	0.5
295.04550	0.6
317.06082	0.8
374.20410	0.9
375.20554	1.3
378.57803	0.4
392.21646	2.1
393.12436	0.9
393.21402	24.7
393.29138	1.0
394.21707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64870	40.2
69.73946	100.0
75.15598	37.3
84.63058	43.8
237.90045	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	394.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63886	15.2
61.98840	36.4
65.05443	14.3
70.71821	14.1
70.82930	25.3
78.93500	15.0
78.95911	80.2
96.96031	41.7
104.63006	16.4
116.92859	28.4
137.34209	24.6
152.99602	100.0
248.11217	17.0
299.03320	21.7
309.17545	16.8
371.43817	15.8
376.61807	21.3
395.22186	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	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73240	7.2
53.93329	6.8
55.51821	6.8
57.22320	7.6
61.98828	29.3
69.46580	34.6
78.95918	50.8
79.95772	7.9
96.96013	72.6
116.92888	16.2
119.81866	8.0
152.99600	80.2
278.26141	7.9
309.17450	100.0
312.17163	10.8
359.22437	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	395.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33986	3.4
56.27306	3.2
58.84243	3.8
59.01385	5.4
60.99307	12.4
65.57143	3.3
69.50657	9.3
69.51060	9.6
80.09328	3.7
80.63400	4.2
88.98820	100.0
123.00952	6.9
125.02442	5.5
138.03326	8.8
153.05626	4.2
164.59549	3.6
182.02228	10.1
197.04630	23.3
247.78909	4.4
273.34763	4.5
339.71042	3.4
394.96210	7.8
395.11990	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	395.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03934	1.5
59.01380	5.2
65.00334	1.4
67.01864	1.2
68.99838	1.4
69.03461	2.5
71.01380	4.0
72.99281	1.4
75.00883	2.1
82.02991	9.5
83.01438	1.1
84.04545	2.5
85.02955	3.0
96.04584	3.4
97.02960	2.8
98.06120	4.6
101.02368	1.3
107.01392	13.2
107.05016	1.0
109.04102	5.1
111.00912	5.9
113.02486	9.4
114.02917	1.1
119.05025	1.5
123.00912	1.6
124.01678	25.5
125.02474	75.8
126.02819	2.7
127.00378	1.8
127.05164	12.6
128.03564	41.5
136.98830	3.3
139.00389	5.1
140.01184	5.2
145.05078	2.8
145.06204	21.1
147.04488	1.2
147.46463	1.2
150.07179	1.1
161.02463	1.6
168.00671	15.1
169.01451	100.0
170.01791	4.4
175.04025	10.2
177.05562	1.5
187.04036	3.1
192.06665	1.4
204.06735	1.6
205.05049	8.1
207.07834	1.9
213.08885	3.1
222.07739	3.3
225.08844	2.4
243.09872	53.2
243.12367	2.7
244.10239	2.9
247.02612	2.3
249.04031	7.1
249.06277	3.3
252.95909	2.1
266.06741	2.2
269.07843	1.3
305.02988	1.9
377.10184	5.2
395.11026	72.5
396.11484	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	395.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
57.03443	1.8
59.01387	21.8
60.31546	0.9
65.00307	0.8
68.99828	1.9
69.03466	14.6
69.30926	3.9
71.01392	18.1
72.99326	5.0
73.02959	2.7
75.00484	1.2
75.00882	16.6
78.43314	0.8
81.03490	0.8
82.76488	0.9
83.01399	1.4
85.02962	18.1
87.00892	8.5
89.02454	4.8
89.41253	0.8
93.03439	1.4
95.01389	4.8
97.02997	0.9
99.00890	10.2
101.02441	2.6
103.00388	2.7
107.01375	1.7
111.00877	3.7
111.48218	0.9
113.02463	100.0
114.02790	3.6
115.00377	1.3
116.92886	2.6
117.01935	2.6
123.00864	0.8
124.01647	1.1
125.02480	4.0
128.03505	0.9
129.01950	2.4
139.00400	1.8
143.03510	1.7
145.03302	1.1
145.05086	22.7
145.08717	1.4
146.05423	0.8
167.44911	0.9
168.00563	0.9
169.01451	6.6
171.03024	1.4
175.02521	1.6
215.81335	0.8
231.05128	4.2
243.09790	1.7
247.02379	1.4
249.06174	37.8
250.06512	2.0
267.07193	3.4
281.12320	2.0
305.03290	1.3
359.09985	0.9
377.10684	1.8
395.11865	44.5
396.12268	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	395.127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65262	24.4
69.08395	100.0
69.08804	41.3
87.68581	27.1
96.33051	23.7
158.64609	22.0
187.06020	24.7
201.86913	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86761	0.4
59.01377	0.9
65.24520	0.4
71.42541	0.6
72.61117	0.4
76.10184	0.4
79.95744	1.9
95.95247	0.7
96.96021	100.0
101.43690	0.3
106.94949	0.3
113.02466	0.4
121.79501	0.4
256.99741	10.5
265.53400	0.5
272.84473	0.4
395.13815	38.2
396.14078	4.2
409.80753	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	395.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01383	2.1
61.11539	0.6
62.90309	0.6
69.57309	2.7
71.01387	4.3
72.99288	1.0
75.00898	0.8
79.95745	10.9
80.96526	15.7
83.01413	1.8
85.02953	3.1
86.81871	0.7
87.00886	5.5
94.98087	1.4
96.96021	61.2
99.00889	3.6
100.01226	0.8
101.02437	1.5
103.00365	0.9
111.00890	16.5
113.02500	1.3
115.00382	0.9
120.96025	2.7
127.00401	1.7
129.01947	7.9
138.97090	4.6
150.97200	0.7
154.96585	1.2
159.03003	2.6
166.96519	0.9
177.04091	0.9
190.96501	1.1
192.98068	0.9
210.99196	2.5
238.98682	15.6
241.00275	8.8
248.11368	0.8
256.99744	41.0
258.00095	1.1
304.56561	0.7
395.13815	100.0
396.14090	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	395.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.9
69.50524	1.2
71.01383	1.5
79.95745	87.3
80.95684	0.5
80.96530	4.8
83.01382	0.6
84.69593	0.5
85.02953	1.3
87.00877	1.1
95.95242	1.2
96.96023	71.0
99.00916	0.5
101.02450	1.8
113.02455	1.2
122.97458	0.5
129.01962	0.8
137.96303	0.6
138.21021	0.5
138.97108	3.2
150.97128	0.8
164.04521	0.6
168.30986	0.4
238.98677	1.4
241.00291	5.6
256.99783	4.3
271.91129	0.5
381.07037	0.5
395.13837	100.0
396.14136	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	395.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03445	2.2
59.01377	1.7
64.66800	0.6
69.10511	3.8
69.82670	0.5
71.01399	3.7
72.99320	0.6
73.02969	0.7
75.00875	1.1
79.95741	13.7
80.96522	18.4
83.01398	2.6
85.02963	3.1
87.00378	0.5
87.00880	7.6
89.02483	0.5
90.98267	0.4
93.65726	0.4
94.98061	1.5
96.96020	72.5
99.00890	5.3
101.02448	2.8
111.00886	16.1
113.02440	1.3
115.00404	1.4
120.96024	3.0
127.00382	1.7
129.01956	8.5
136.95544	1.1
138.97099	6.1
147.03070	0.8
150.97116	0.7
154.96600	1.7
159.03018	3.7
166.96573	0.9
167.00204	1.0
177.04071	1.2
177.17155	0.5
190.96538	0.7
192.98085	1.0
210.99216	2.1
238.98692	20.3
241.00240	10.5
256.99744	46.2
257.99966	2.2
290.17664	0.6
395.13831	100.0
396.14221	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	395.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	1.1
69.43306	2.8
70.69335	0.6
71.01416	1.3
79.89496	0.8
85.02982	0.7
87.00894	3.0
89.02423	0.7
91.54075	0.6
93.03456	0.6
96.96048	2.4
101.02499	1.2
106.30951	0.6
107.01401	1.1
111.04552	0.9
113.02503	0.7
123.00906	1.4
124.01698	1.3
125.02449	4.1
168.97011	0.6
169.01448	7.8
180.71136	0.7
241.00407	2.4
241.64265	0.6
245.04622	0.9
261.09869	1.1
301.04688	0.8
310.05301	1.0
319.05713	2.1
395.06104	1.3
404.15689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38884	0.6
59.01386	100.0
62.78575	0.6
64.82294	0.7
69.03482	1.5
71.01408	2.0
73.02965	0.6
79.95764	1.0
80.95320	0.6
85.02982	1.0
87.00909	2.7
89.02454	1.3
93.03471	0.9
95.01418	1.0
96.96043	1.5
97.02979	0.6
99.00945	0.8
101.02446	1.7
107.01414	4.7
111.04569	1.2
113.02465	9.6
123.00922	1.3
124.01721	1.6
125.02457	13.0
125.03307	0.9
126.02787	0.7
133.05090	0.8
145.05072	4.4
161.02542	0.8
169.01440	18.3
169.02785	1.2
170.01831	1.3
220.34106	0.7
275.09174	0.9
289.63928	0.8
319.05887	1.8
335.08264	0.8
395.00311	0.7
395.06012	1.3
395.10452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47762	8.2
70.40292	19.5
72.17213	7.8
73.42551	6.9
79.95752	10.6
85.56453	7.0
96.96027	82.5
172.22592	7.7
274.54108	9.0
397.22626	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	397.0567
Annotation	Arteminorin C
Peak:m/z	Relative Intensity
59.01362	0.9
61.95774	0.4
69.31374	2.1
73.39436	0.5
78.36408	0.5
79.38469	0.5
213.59914	0.5
270.98914	1.8
282.01724	34.2
283.02002	2.6
293.00931	1.1
295.02499	7.4
296.03238	3.0
297.00430	49.6
298.00693	3.6
298.98407	1.7
299.99100	3.2
307.02393	1.3
307.99878	0.7
308.03329	0.6
309.00528	0.9
309.04053	1.6
314.00433	1.1
319.02557	1.2
321.04169	0.6
323.02002	2.0
337.03613	2.7
339.01566	2.0
340.02252	1.4
353.03058	2.9
353.06717	1.0
365.03104	7.5
366.03366	0.8
367.00894	1.2
397.05667	100.0
398.06012	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.1
61.28536	1.3
69.23698	7.5
71.01389	10.1
72.99265	1.4
75.64651	1.3
85.02953	4.7
87.00887	27.2
89.02426	2.5
90.51529	1.4
90.52104	1.2
94.72579	1.3
95.01386	2.2
96.96014	1.8
99.00980	1.3
102.37924	1.2
107.19827	1.2
113.02464	5.7
122.03778	2.2
123.00903	2.0
123.04546	10.5
125.02451	3.5
135.04576	1.6
146.03673	1.8
147.04562	3.6
159.04523	2.6
161.06140	2.3
162.03221	1.6
169.01416	5.6
172.05287	3.8
173.06070	4.8
173.09621	2.4
174.03236	2.7
175.04022	5.8
175.07655	14.5
185.06136	2.6
186.06905	7.0
187.07716	6.2
188.04834	2.9
189.05579	3.2
189.09216	2.7
190.06456	2.0
190.10023	3.0
191.10829	4.6
199.07617	3.2
200.08463	4.6
201.09238	16.2
203.07172	31.7
204.07582	2.2
215.07162	3.0
215.10718	1.2
217.08839	3.8
218.09509	26.2
218.11511	1.8
219.09921	4.0
228.07912	3.0
229.08534	1.6
233.11861	39.9
234.12247	3.5
243.10333	5.1
245.08177	2.0
259.13388	4.4
265.14456	14.1
275.12927	49.1
276.13251	5.1
287.09366	1.4
291.16092	6.5
293.13980	15.8
303.12637	2.1
307.15573	5.4
317.10284	1.4
317.13885	3.2
319.11890	58.6
320.12241	5.1
335.15112	16.5
335.19055	2.1
353.16287	2.2
361.13040	2.9
397.15076	100.0
398.15399	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	398.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	23.3
62.68875	7.2
71.01400	7.6
72.04552	9.4
72.99298	39.8
85.02938	11.5
85.72414	6.5
87.00879	32.3
90.62074	6.2
95.01408	9.8
95.04954	6.4
107.01403	15.8
111.61044	6.7
117.03449	8.5
119.05052	8.7
123.00866	17.7
124.01652	14.2
125.02480	30.5
126.93629	7.6
133.02933	7.2
137.02437	9.6
142.12402	62.0
145.02983	14.3
147.04498	14.3
159.04535	7.3
161.02460	22.2
162.03189	19.0
162.77454	6.4
163.03992	16.6
168.10286	22.2
169.01398	40.2
170.11885	23.4
173.02409	15.4
173.06068	16.0
175.03973	10.3
175.07736	10.3
176.04819	12.9
178.18552	7.2
180.04305	27.5
185.02487	8.0
187.07628	9.5
189.01944	19.3
190.06413	16.3
191.03488	24.9
195.06615	42.0
201.01862	10.1
201.09285	10.0
203.03534	17.4
203.07188	8.6
205.08665	20.5
214.10887	96.2
217.01434	17.2
217.08754	11.3
218.02020	8.8
219.03017	15.8
219.10258	28.5
229.01375	12.7
233.08141	12.2
245.00871	15.1
247.02435	17.3
257.00888	13.7
258.01685	8.4
261.00491	11.7
263.02005	8.4
275.01984	57.8
277.10791	24.4
287.03198	10.1
300.99902	73.8
301.03101	10.4
322.05945	22.3
322.56409	7.2
348.02463	7.6
354.03000	21.2
354.53137	8.3
362.02838	40.2
362.53119	8.3
367.10410	31.0
376.02301	14.3
381.11899	16.1
399.08231	10.0
399.12991	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	399.0723
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
59.38785	0.3
69.34610	1.4
69.34969	0.5
72.19292	0.3
114.73749	0.3
133.03056	0.3
145.03000	0.4
146.03705	0.4
149.02385	0.3
153.15009	0.3
162.53198	0.3
165.01906	0.4
172.01663	0.3
174.03233	0.7
177.01978	0.9
183.04558	0.4
186.03175	0.4
187.04083	0.5
189.01994	0.8
190.02756	3.0
191.03055	0.5
192.00496	0.4
193.01460	3.5
198.03209	0.8
199.03824	0.3
200.01163	1.2
201.01814	0.6
202.02757	2.4
203.03508	0.8
205.01448	0.7
208.05247	0.3
209.06067	0.6
211.03993	0.5
213.01875	0.6
214.02795	0.9
215.03427	0.5
217.01427	0.5
218.02313	1.4
218.04276	0.3
221.00937	5.9
222.01201	0.3
224.04822	0.4
225.05588	0.5
227.03517	1.3
228.00665	2.4
228.04311	0.6
229.01421	1.2
230.02263	1.1
231.03061	0.3
235.04015	0.6
237.05576	0.6
237.09048	0.5
239.03510	0.5
240.04294	0.7
241.01451	0.4
241.05046	0.8
242.02220	1.9
243.02962	1.1
244.03531	0.4
245.00940	2.0
246.01678	0.9
249.05544	0.6
251.03593	0.6
251.07133	0.4
252.03996	0.4
253.05086	0.9
253.08694	0.4
254.02267	0.8
255.02933	0.9
256.03922	0.8
257.00888	2.9
258.01712	2.3
259.02356	1.8
263.03528	0.4
264.04257	0.6
265.05063	0.5
265.08643	0.3
266.02258	0.5
266.05832	0.7
267.03085	0.6
267.06595	0.3
269.01013	0.4
269.04510	0.6
270.01660	0.7
271.02579	1.9
271.09769	0.6
273.00369	2.4
274.01215	29.5
275.01505	2.0
279.03094	2.0
280.03824	1.0
281.04590	2.0
281.08218	1.7
282.01935	0.7
282.05206	0.7
283.02524	2.8
283.09808	1.1
284.03241	2.2
285.00500	0.9
286.01181	1.0
287.01981	2.2
288.02725	1.0
293.04630	0.9
293.08063	0.6
294.05273	0.5
297.04135	0.7
299.01929	4.5
299.09271	1.0
300.02728	2.2
301.03317	0.4
307.02621	0.8
308.03314	1.6
309.04022	1.4
309.07706	4.1
310.08255	0.5
311.01987	0.7
311.09409	0.8
312.02771	2.5
318.60239	0.3
319.06406	0.4
322.04770	0.6
323.05643	1.0
325.03528	3.2
326.04398	1.4
327.08691	1.4
337.07196	4.8
338.07974	2.0
339.04828	0.5
340.05807	0.7
355.08249	100.0
356.08606	11.9
356.12341	0.2
399.07220	8.9
399.12439	0.5
400.07535	1.2
407.95584	0.4
419.19940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
53.05542	0.4
55.01871	0.7
57.03439	1.1
57.23283	0.4
59.01386	4.9
67.01892	0.6
69.03456	1.3
69.42342	0.8
69.42756	1.5
71.01390	6.3
72.99307	1.2
73.02952	1.2
74.61871	0.4
75.00882	5.7
79.01910	0.7
81.03452	0.7
83.01406	1.4
84.73611	0.4
85.02956	4.8
86.40620	0.4
87.00866	1.1
89.02464	1.0
90.34340	0.4
95.01402	1.7
96.05371	0.4
96.96033	1.3
97.02957	1.1
98.21851	0.9
99.00875	2.4
101.02438	3.0
102.21857	0.4
103.59265	0.6
107.01402	7.8
111.00877	1.6
113.02477	1.5
117.94647	0.4
123.00895	11.2
124.01675	9.9
125.02464	38.7
126.02774	1.2
127.00388	0.5
129.01979	2.4
136.98790	0.9
137.02484	0.4
139.00369	2.1
139.03995	0.5
140.01169	1.7
141.01953	2.6
151.00386	5.6
153.01935	0.5
159.03040	2.1
165.01955	0.6
166.99872	0.5
167.23024	0.4
167.52124	0.4
168.00648	3.5
169.01442	61.2
170.01740	2.7
177.04062	21.8
178.04395	1.0
183.02930	0.5
211.02472	2.2
257.00699	0.5
261.00336	0.5
271.04596	1.0
274.01227	0.5
275.02057	0.9
300.99854	2.3
302.00165	0.4
311.04071	0.5
316.03271	1.0
323.03928	0.4
329.05130	7.1
330.05283	0.7
399.12988	100.0
399.54855	1.2
400.13245	11.1
400.18387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
53.25138	0.3
59.01386	13.5
61.98829	0.4
65.00304	0.3
67.01884	1.0
69.03445	0.9
69.95345	0.8
69.95685	0.4
71.01387	7.0
72.99313	1.4
73.02954	0.6
75.00882	0.7
78.01135	0.4
79.01899	1.4
81.03452	0.6
82.00602	0.8
83.01389	1.1
85.02940	2.3
86.00102	0.4
87.00882	1.4
89.02454	3.5
91.48232	0.3
95.01388	2.5
97.02956	0.8
99.00890	1.1
101.02457	3.9
107.01401	5.0
108.02204	0.5
109.02938	0.7
110.00121	0.6
111.00890	2.4
111.14348	0.3
113.02472	2.7
119.03485	1.3
121.03010	1.7
121.03744	0.4
122.65026	0.4
123.00896	20.7
123.04510	0.5
124.01684	17.6
125.02466	19.9
126.02787	0.8
127.00372	0.7
135.04562	0.4
136.98817	1.4
137.02539	0.4
139.00383	2.9
140.01213	2.7
141.01971	3.5
151.00388	13.1
151.04007	0.3
152.00772	0.5
153.01964	0.7
157.62555	0.4
161.02460	0.4
163.03990	0.5
168.00636	5.2
168.01968	0.4
169.01439	23.3
170.01773	1.0
177.04063	1.1
177.62273	0.3
179.03525	2.0
195.02948	0.4
211.02489	2.3
220.89160	0.4
243.26674	0.4
271.04633	2.4
301.00015	0.5
313.05609	0.9
355.04544	0.6
399.12982	100.0
400.13278	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.44204	0.3
57.03451	1.0
59.01127	0.5
59.01387	5.3
65.00319	0.5
67.01900	0.9
69.03454	0.9
69.93932	0.4
71.01385	5.6
72.99323	0.8
73.02947	1.8
75.00871	2.0
78.01099	0.5
79.01902	0.9
80.02273	0.4
81.03481	0.6
82.00607	0.5
82.91951	0.3
83.01398	1.3
85.02955	4.0
86.00116	0.5
87.00883	5.3
89.02477	0.4
95.01406	2.3
96.96023	2.0
97.02956	1.0
99.00897	1.2
101.02445	4.5
107.01392	5.7
110.00076	0.4
111.00892	2.3
113.02457	2.4
121.02953	0.8
123.00900	18.4
123.04575	0.6
124.01681	12.7
125.02465	25.1
126.02822	1.1
127.00369	1.0
129.01952	1.4
136.98862	1.1
137.02466	1.8
139.00368	3.6
140.01163	3.1
141.01970	2.9
151.00380	11.1
153.01981	0.8
159.03000	0.8
168.00632	4.3
169.01442	35.6
170.01796	1.5
171.10208	0.4
177.04076	7.6
177.05525	0.6
203.85918	0.3
211.02600	0.9
217.08734	0.4
233.11903	0.5
253.03268	0.4
275.01877	0.4
290.46320	0.4
299.99286	0.6
300.99884	0.8
313.05566	0.7
329.05103	1.4
355.04434	0.3
399.12967	100.0
400.13364	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	399.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67427	0.8
57.01653	0.9
59.01371	3.0
63.44857	0.9
71.01414	1.8
79.95738	1.5
88.82600	0.9
89.02475	1.3
96.96023	93.2
99.83467	0.9
101.02468	1.8
105.72726	1.0
111.65101	0.9
125.02460	1.1
129.98737	0.9
149.31125	0.8
187.59848	0.9
192.07458	0.9
216.96596	0.9
350.40207	0.9
399.18494	100.0
400.18738	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	399.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88811	2.2
86.68612	2.5
88.62102	2.3
110.31955	2.4
141.09218	3.5
143.10674	2.9
167.14436	2.8
176.03745	2.5
195.13860	3.4
213.14880	4.3
237.14931	7.1
239.16628	3.8
249.00256	2.3
255.16028	83.0
256.16418	8.3
257.17596	100.0
258.17889	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	400.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	48.9
61.98829	56.9
63.23979	14.4
63.91405	14.6
69.63232	30.8
69.63609	28.1
71.01384	28.0
74.52420	13.2
88.37437	16.1
88.57106	13.2
93.77982	16.5
101.02438	16.6
114.36316	14.7
121.02952	100.0
121.53194	15.8
122.10423	14.9
144.78828	14.2
145.03177	15.1
173.58617	14.4
181.06677	34.2
189.70122	14.8
198.00208	13.9
225.05550	16.6
242.16756	14.8
274.50900	15.3
401.08994	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28882	20.3
69.44465	90.5
93.65263	22.8
105.97449	22.1
108.93478	23.0
116.34057	22.8
121.02979	100.0
171.10017	22.9
181.07422	25.0
313.07336	28.8
384.64572	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	400.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	59.1
65.56111	28.8
69.63719	100.0
71.01414	30.7
92.77477	24.0
109.98252	29.5
401.08862	35.2
401.16525	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	401.0882
Annotation	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01382	1.1
65.00324	0.6
65.17883	0.5
65.97907	0.5
77.56751	0.5
80.02657	0.6
85.02937	0.7
89.03995	1.1
91.01914	1.7
93.03465	2.2
95.05033	6.4
101.03963	1.3
102.64305	0.5
105.03465	0.6
106.00603	0.7
106.04254	1.1
108.02171	1.3
109.02974	1.2
117.03467	4.3
119.01375	0.8
121.02952	2.9
123.00893	1.0
123.04549	0.9
124.01678	1.3
125.02478	1.0
127.07664	2.4
130.04228	0.6
132.02185	1.7
133.02977	1.9
135.00897	0.6
135.04472	0.6
136.01723	1.3
137.02455	2.1
145.02971	5.3
146.03745	2.6
147.00893	2.7
147.04504	1.8
148.01685	2.9
149.02457	1.0
157.02986	1.0
158.03732	2.4
159.04526	1.1
160.01692	2.6
161.02441	5.7
161.99655	1.1
162.03171	0.7
163.00391	8.1
163.04001	1.2
164.01183	8.1
165.01894	2.1
169.01422	0.8
173.02457	14.2
174.03249	16.2
175.00343	3.8
175.03883	0.9
176.01154	26.1
177.01962	6.0
178.02629	0.8
178.99873	1.2
179.03526	1.0
181.06526	0.8
182.85089	0.5
183.04588	1.0
183.08116	0.5
184.84087	0.6
185.02470	4.6
185.05963	0.7
185.09608	0.8
186.03242	1.6
188.01108	2.9
189.01944	11.1
190.02721	12.3
190.99893	1.6
191.03349	2.0
192.00668	2.2
193.06464	0.8
195.04538	1.3
197.06142	3.5
197.09650	0.6
198.06689	0.9
199.04128	1.3
199.07721	1.0
201.01968	15.2
202.02731	50.4
202.99878	1.8
203.03261	4.5
204.00644	6.6
204.03981	0.6
205.01382	1.8
206.02246	1.1
206.99364	2.8
208.00151	20.7
209.00894	2.8
209.06102	1.1
211.04045	1.0
211.07635	1.0
212.04800	1.4
213.02020	1.3
213.05571	1.8
213.09245	1.5
214.02623	1.0
215.03508	2.6
215.07095	1.0
216.00661	2.5
216.04245	0.7
217.01427	6.0
218.02126	1.2
218.99341	3.4
220.00102	1.0
221.00919	2.4
223.04022	1.6
223.07556	0.8
224.04805	1.0
225.05530	2.4
225.09235	2.0
226.02756	1.9
227.03514	5.9
227.07118	1.1
228.00623	1.3
229.01430	10.1
229.04996	1.3
230.02208	32.4
231.02682	1.7
232.00145	9.3
233.00822	3.8
233.97998	2.9
237.05643	1.6
238.06447	1.3
239.03590	0.8
239.07176	1.2
240.04251	3.7
241.05084	9.1
241.08705	1.3
242.02231	1.4
242.05753	1.1
243.02988	1.5
243.06503	0.9
244.00121	1.0
245.00928	19.3
246.01547	3.3
246.98848	8.4
247.99626	8.0
251.07207	1.5
252.07968	1.0
253.05078	3.7
253.08719	2.4
254.02325	0.9
254.05843	4.6
255.02989	2.1
255.06671	6.4
256.03787	1.0
256.06818	0.9
257.04504	1.9
258.05191	0.7
259.99600	4.4
261.00397	6.0
262.00754	0.7
265.05130	1.0
267.02975	1.4
267.06549	1.0
268.03763	2.1
269.04602	3.2
269.08191	8.3
270.08942	3.1
271.06097	1.4
271.99454	1.0
273.00433	6.7
274.01218	18.4
274.04535	1.1
275.01749	3.3
279.06555	0.8
280.07193	0.7
281.04568	6.6
281.08173	1.8
282.05328	6.2
282.08252	1.0
283.05914	1.6
283.09882	0.7
285.04065	4.4
285.07196	1.0
285.11124	0.8
286.04800	1.6
295.06116	0.8
296.03305	0.9
296.06760	0.8
297.07706	27.9
298.04999	1.1
298.08426	14.8
299.05643	4.2
299.08975	1.7
299.99277	1.0
300.06256	0.8
301.10953	1.3
313.07135	2.4
313.10638	1.1
325.07095	11.7
326.07669	1.3
327.05045	0.6
329.10339	12.8
330.10693	1.5
332.01624	0.7
341.06699	2.3
357.09851	8.3
358.10324	0.7
369.06143	6.7
370.06540	0.8
373.09296	31.9
374.09515	4.1
401.08795	100.0
402.09167	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	401.088
Annotation	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate
Peak:m/z	Relative Intensity
51.34468	0.8
53.80357	0.8
59.01368	0.8
69.76807	1.9
69.77203	1.5
111.08115	0.8
121.02978	8.3
123.09056	0.8
125.02436	0.9
144.29893	0.8
149.69748	0.7
174.03183	1.3
190.02759	1.0
195.68668	0.8
198.03174	0.9
201.01788	1.1
202.02707	1.3
205.01295	0.9
215.03506	1.5
216.04230	1.8
218.02213	2.3
225.05592	1.5
226.02573	0.8
227.03540	2.1
229.01375	1.3
230.02161	1.0
242.02205	1.4
243.02969	4.1
244.03642	0.9
245.00941	1.0
255.02991	1.4
256.03879	1.2
257.00916	2.0
259.02362	1.5
267.03009	1.6
268.03690	1.6
269.04538	1.0
270.01544	1.2
271.02487	3.2
272.03128	1.9
273.00443	5.9
273.11176	1.1
274.01208	26.0
275.01611	2.5
282.01715	1.4
283.02344	1.8
283.09717	1.6
285.11331	1.2
296.03278	1.2
297.04041	2.4
299.01959	10.5
299.99396	0.8
300.02731	10.6
301.10999	1.1
311.09161	6.2
313.03931	0.9
313.07269	3.6
314.04230	5.0
324.13788	1.0
329.10327	1.3
339.08856	8.2
340.09393	2.2
341.06403	1.2
357.09821	100.0
358.10144	12.0
401.08786	51.3
402.09045	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52360	0.6
52.43670	0.6
59.01383	1.0
61.98824	1.0
69.30054	1.3
69.30431	3.1
70.46490	0.6
71.01385	0.9
85.02982	0.9
91.03990	0.8
93.03980	0.7
93.71904	0.6
96.96017	0.7
123.00887	0.7
124.01704	0.8
125.02467	2.0
126.02757	0.8
132.02202	1.8
141.64189	0.6
144.02197	2.7
148.01709	0.6
156.02060	0.6
160.01578	3.0
168.09558	0.7
169.01486	2.6
171.10226	0.7
172.01620	3.2
174.03287	0.8
176.01093	0.8
188.01120	4.2
189.01886	1.3
190.02708	2.0
195.13884	1.2
200.01155	4.2
201.01819	1.1
202.02740	2.3
204.00644	2.5
211.13269	0.9
214.02672	1.3
215.03560	0.6
216.00647	14.4
217.01414	3.4
218.02177	1.2
223.07585	1.0
227.03499	1.5
228.00803	1.6
228.04126	0.8
229.08725	0.9
230.02248	3.6
236.04797	1.0
237.05623	0.9
239.03615	0.8
239.07106	0.8
239.12975	1.1
240.04420	0.7
241.05090	1.6
241.08699	1.3
242.05830	0.9
244.00154	12.5
245.00880	2.3
246.01749	4.9
251.07042	3.4
253.08728	0.9
255.03026	2.6
256.00140	0.7
257.08240	1.8
258.01666	2.8
264.04364	1.2
265.05069	1.3
267.03207	1.1
267.06583	1.9
269.01001	2.0
269.04337	1.4
269.08264	1.5
270.01752	2.2
271.99661	13.6
273.00150	2.3
279.06573	1.2
281.04715	1.4
283.02408	2.2
283.05753	1.1
285.00470	0.9
285.04028	1.0
285.07690	2.2
286.01169	10.3
287.01440	1.2
292.03876	0.9
295.06067	0.7
297.03934	1.2
297.07596	2.3
298.04980	0.8
299.05750	0.9
299.99118	17.2
300.99484	1.6
304.02313	6.5
307.06146	7.4
308.06711	2.6
310.04623	0.9
312.06433	12.3
313.07184	23.6
314.07568	1.7
324.58731	0.9
325.07114	3.6
326.07175	0.8
327.21774	4.3
332.01755	14.2
333.02127	1.1
341.06696	7.9
342.07193	0.8
357.10089	0.8
369.06161	100.0
370.06485	12.4
401.08789	14.8
401.14111	0.7
402.09064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15854	0.4
55.01876	0.6
57.03440	0.5
59.01387	8.7
67.01896	1.0
69.03467	0.7
69.60558	2.0
71.01389	7.3
71.47375	0.4
73.02946	2.4
73.37717	0.4
75.31350	0.4
79.01883	1.1
82.00574	0.6
83.01409	1.7
85.02972	4.2
87.00879	1.7
89.02471	1.6
90.23890	0.5
93.03474	1.2
95.01402	2.8
97.02959	1.1
99.00902	1.3
101.02458	5.9
107.01398	5.2
111.00913	1.3
113.02465	2.9
119.05031	0.6
123.00904	19.5
123.04542	1.1
124.01695	14.0
125.02467	20.8
127.00362	0.6
135.04611	0.6
136.29671	0.5
136.98827	1.5
137.02467	3.2
139.00397	3.8
140.01161	2.1
140.27254	0.4
141.01942	3.1
146.03781	0.6
150.99161	1.0
151.00380	12.9
151.03981	0.6
152.00752	0.5
153.01884	0.4
161.04559	1.0
164.04788	0.8
168.00693	4.2
169.01447	28.3
170.01775	1.7
177.38657	0.4
179.07172	1.1
182.05794	1.2
197.08188	1.1
223.02451	0.5
253.03526	0.8
275.01907	0.6
300.99966	1.0
307.52539	0.6
313.05649	3.3
316.03241	0.8
316.53552	0.7
327.61163	0.5
401.10904	100.0
402.11215	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13560	1.8
56.42681	1.8
57.31274	1.6
59.01379	12.8
60.66857	2.0
68.99789	2.0
69.73796	6.5
69.74139	2.0
71.01388	6.1
73.02943	7.6
83.01384	3.4
85.02944	7.2
87.00883	70.8
99.00940	2.8
99.33396	1.9
101.02462	5.7
109.02935	2.4
111.00945	2.2
113.02462	6.3
121.02956	2.8
123.00880	16.0
124.01672	5.7
125.02448	7.1
131.03522	2.5
135.04536	7.3
138.03258	8.8
138.72075	2.0
149.02475	5.3
151.00351	5.4
153.05624	3.0
153.07819	1.9
161.02478	11.6
163.04033	23.6
164.04802	19.0
165.05582	8.5
166.02811	8.9
168.00600	3.1
169.01424	12.2
173.02359	5.2
175.04041	5.3
176.04774	11.4
177.01878	3.6
177.05455	2.5
178.06392	23.0
179.03571	12.5
179.07162	38.8
180.07472	2.5
181.05151	11.1
182.02281	4.7
187.04037	3.8
189.01985	2.2
190.02710	2.7
191.03520	28.0
191.07184	9.0
192.04224	6.4
193.05072	11.7
193.08691	6.6
194.05836	9.9
197.04573	8.4
201.01967	4.4
203.03551	10.7
204.04083	3.4
205.05083	13.3
206.05838	12.5
207.03064	3.6
207.06586	4.7
208.07335	3.0
209.08092	10.1
211.02504	5.2
218.05864	4.0
219.03035	7.8
219.06555	2.5
221.04570	6.7
221.08228	12.7
222.05408	2.6
230.01952	2.4
231.03020	5.2
234.05345	5.4
236.06892	2.7
237.07761	5.3
238.04762	3.3
247.02477	8.6
247.06090	5.3
249.07686	6.7
250.04967	2.8
251.09360	5.9
257.00943	2.6
262.04871	12.0
265.07193	73.4
266.07553	4.6
271.04605	10.6
275.02011	8.5
276.02258	2.9
277.07178	35.5
279.08752	2.5
287.30518	2.0
291.09128	2.5
295.08276	88.7
296.08612	8.2
299.99091	3.2
300.99780	10.6
302.00223	7.4
303.00626	2.3
322.98001	3.9
325.09363	4.5
337.09232	3.2
355.10352	22.9
356.10538	2.9
383.09781	8.2
391.53320	9.6
392.03522	3.3
400.53741	2.0
401.10962	100.0
402.11221	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.3
59.01385	44.8
67.85687	1.3
69.25363	1.3
69.32742	2.8
69.33128	4.5
71.01389	24.8
72.99303	4.8
73.02958	2.7
75.00877	17.0
83.01386	2.1
85.02962	23.6
87.00891	8.6
89.02445	15.3
93.03482	2.0
93.51167	1.6
95.01414	10.1
96.95985	3.2
97.02939	2.4
99.00882	8.5
101.02464	8.5
103.00388	2.3
107.05052	10.7
109.02989	1.4
111.00903	2.3
113.02460	28.0
117.01993	2.6
119.03525	2.6
121.02130	2.5
121.02967	19.6
123.00901	33.5
123.04524	8.7
124.01662	4.4
125.02472	12.5
129.01938	2.7
133.02965	6.1
135.04543	6.4
137.02460	3.2
138.03239	31.1
142.27272	1.3
143.03488	1.8
146.03790	3.1
151.00325	2.1
151.04028	18.3
153.05559	12.4
161.04547	1.5
166.99858	9.0
169.01416	9.1
170.01865	1.6
179.07069	7.5
182.02251	28.4
182.05797	4.6
183.02696	2.3
197.04567	62.7
197.08200	5.4
198.04880	2.3
205.07224	1.8
211.02472	4.1
229.01421	2.2
231.05141	1.7
249.06148	26.8
267.07211	48.6
268.07385	2.8
271.04694	8.0
275.02151	2.3
300.99741	4.9
315.03586	1.5
341.08600	1.6
383.10199	2.9
401.10913	100.0
402.11166	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03447	0.8
59.01125	0.5
59.01385	4.1
61.49551	0.4
67.01897	0.8
69.03432	0.5
69.46124	2.1
71.01390	6.6
73.02955	2.7
78.01118	0.4
79.01885	1.2
81.03496	0.5
82.00639	0.6
83.01401	1.7
85.02958	4.3
86.00117	0.5
87.00888	1.8
87.04501	0.5
89.02465	0.6
93.03468	0.6
95.01402	2.5
97.02952	1.3
101.02454	4.7
107.01415	4.7
111.00919	1.9
113.02467	2.7
117.86422	0.4
123.00902	19.7
124.01694	13.1
125.02468	21.7
126.02788	0.7
127.00288	0.5
136.98822	1.3
137.02486	1.5
138.99484	0.4
139.00392	2.9
140.01169	2.7
141.01955	3.7
151.00381	13.1
153.01953	0.7
161.04510	0.5
166.99908	0.5
168.00655	4.6
169.01440	29.1
170.01775	1.3
181.05106	0.5
189.02019	0.4
211.02347	0.4
228.90517	0.4
300.99887	0.4
313.05725	2.6
401.10910	100.0
402.11212	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	401.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06845	5.6
56.17785	6.2
59.01389	82.2
65.38181	8.8
66.39380	6.7
69.03469	7.8
71.01396	45.2
71.98874	5.5
73.02961	39.3
75.00880	11.5
78.95892	13.2
85.02946	18.0
85.77872	6.2
87.00889	47.2
88.18312	6.5
89.02459	44.1
94.02975	7.1
96.04552	9.5
96.96060	6.7
101.02464	16.0
103.10133	6.0
113.02457	27.2
117.01946	61.1
119.03526	12.4
123.00929	38.3
124.01701	8.1
125.02435	23.6
128.03531	16.0
135.48965	7.1
138.03255	47.8
142.78079	6.7
143.83099	7.9
153.05560	15.3
164.04906	8.6
166.99876	10.2
168.01622	14.4
169.01459	34.0
179.03496	10.9
179.05679	16.3
179.07140	20.7
182.02263	25.5
183.99271	23.7
191.05605	12.0
195.05150	20.6
197.04550	58.8
211.02594	9.9
220.04681	9.1
226.00389	41.3
263.03448	12.1
265.07141	31.3
267.07019	9.6
271.04562	24.3
285.93533	10.5
295.08194	12.6
300.99945	48.8
302.00293	26.3
303.00320	9.4
305.04584	10.4
308.71637	7.1
323.05627	31.0
337.31982	7.6
341.06699	28.7
341.10934	60.8
401.10950	100.0
402.11069	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	401.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
59.48850	1.0
69.59368	3.0
107.01416	1.5
123.00829	1.4
124.01647	1.1
125.02460	3.6
132.02094	1.1
160.04091	1.7
166.02724	1.6
169.01437	4.3
176.01199	2.2
181.05028	1.5
188.03584	1.6
191.03459	1.9
198.04373	2.1
209.04585	1.5
210.05656	1.1
212.07152	3.7
219.06613	1.0
225.06602	1.2
226.03876	4.4
227.04463	1.4
227.08289	2.6
238.08815	1.4
239.04527	4.8
239.08171	2.3
240.05190	6.3
241.02776	1.2
241.06171	7.8
251.08287	2.3
253.06140	1.8
253.09935	1.1
254.06958	2.1
255.07751	11.5
263.08301	1.2
265.06207	1.4
266.08109	1.4
267.04105	14.7
267.07681	5.1
268.04413	1.9
268.08386	1.9
281.06418	1.1
281.09317	6.6
282.06445	6.2
282.09378	1.8
283.07278	8.5
291.07828	2.2
293.05786	2.2
294.06644	3.7
295.07309	7.5
299.06778	2.4
309.08804	15.3
310.09235	1.8
315.09875	4.4
316.33932	1.1
327.09964	1.3
337.08386	8.3
341.11328	2.4
369.10962	32.4
370.11069	3.7
401.13519	100.0
402.13840	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	401.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77091	0.4
57.05571	0.5
59.01379	2.0
61.52035	0.5
69.20254	2.6
69.46355	0.4
70.13205	0.5
71.01370	1.0
85.02969	0.6
96.96020	0.8
101.64690	0.6
104.23726	0.5
107.01392	0.9
108.04571	1.4
124.55108	0.5
125.02458	1.1
127.07632	0.8
136.04109	0.6
159.03276	0.5
160.04077	1.4
168.63339	0.5
169.01440	1.5
174.05603	0.5
185.19679	0.5
188.03442	1.1
193.07076	0.5
198.04382	1.5
209.07147	0.6
210.05734	0.6
210.09375	0.6
211.05148	0.6
211.08806	0.8
212.07433	5.6
213.02997	0.6
218.66388	0.5
224.07344	0.6
225.04338	0.8
225.06718	1.6
226.03848	5.0
226.07404	1.1
227.08253	1.5
228.09250	0.5
237.06589	0.8
237.10431	0.9
238.08730	1.6
239.04570	3.9
239.08209	3.3
240.05205	5.9
241.06221	5.9
242.06480	0.6
246.01709	0.7
250.07089	0.6
251.08243	2.3
252.05527	0.5
253.06075	2.5
253.09912	0.9
254.06982	2.8
255.07776	10.6
256.08188	1.6
263.08264	0.8
265.06271	1.7
265.09845	1.0
266.08026	1.7
267.04129	13.5
267.07709	5.6
268.04630	2.1
268.08380	1.1
277.06036	0.7
279.07886	0.7
280.05295	1.2
280.08508	0.8
281.05707	1.9
281.09308	7.9
282.02917	1.3
282.06436	3.4
282.09329	0.7
283.07272	8.8
291.07727	1.1
292.08499	0.9
293.05750	1.4
293.09402	1.6
294.06186	2.6
295.07281	7.9
296.07651	1.0
299.06747	1.4
308.07965	1.1
309.08841	14.1
310.09265	1.7
311.06586	0.8
313.07977	1.2
315.09937	4.9
316.10184	0.7
322.06293	0.8
324.58578	0.7
325.08334	0.8
326.09799	0.5
327.09882	0.9
337.08347	7.8
338.08490	0.6
341.11206	2.4
357.09714	1.2
369.06693	1.3
369.10931	32.4
370.11353	4.2
401.09125	5.0
401.13556	100.0
402.08746	1.1
402.13892	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01704	1.3
71.01391	4.7
73.02957	1.1
73.80745	0.7
75.00878	0.8
79.95758	0.9
81.03463	0.7
82.52589	0.7
85.02998	1.7
87.00899	1.7
88.65884	0.6
89.02476	2.7
95.01389	1.4
96.96021	5.4
101.02472	2.5
101.22678	0.6
105.10865	0.6
107.01438	2.8
111.00882	0.9
113.02484	2.1
119.03556	1.4
123.00905	3.3
124.01693	5.0
124.02442	0.6
125.02467	12.7
126.02795	0.8
134.21404	0.8
135.04515	1.1
136.48222	0.7
137.02470	1.0
138.92621	0.7
139.00383	1.2
146.03757	18.5
146.04842	1.1
147.04169	1.2
151.00392	2.0
161.04723	1.0
161.06049	5.8
164.04811	12.1
167.03627	0.9
168.00636	4.9
169.01443	17.3
179.07158	50.8
180.07585	3.0
182.05925	2.8
195.05176	1.7
197.06630	0.8
197.08250	3.2
211.02484	19.0
212.02846	1.2
229.01526	0.8
241.00362	0.9
271.04605	31.6
272.05084	3.0
275.02081	1.8
300.99893	3.9
302.00085	1.3
316.03262	0.9
331.06754	3.3
401.11005	16.0
401.15759	1.0
402.11588	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	401.1457
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
50.46830	1.3
54.21594	1.1
54.49685	1.4
55.01884	8.8
57.03447	6.0
58.00594	1.4
59.01384	56.2
69.03458	3.1
69.57885	3.3
69.58270	3.5
71.01386	100.0
73.02950	47.7
75.00879	2.2
81.03452	2.9
83.01385	19.0
85.02959	45.8
87.00874	4.5
89.02454	19.8
95.01402	6.2
97.02959	6.1
99.00885	14.6
101.02449	89.0
102.02804	2.2
113.02460	41.1
115.04025	3.9
125.02443	9.8
129.01942	2.6
131.03526	3.6
137.02460	15.1
143.03546	5.0
149.04541	2.6
151.04024	3.6
152.04820	1.7
159.03009	6.3
161.03221	2.8
161.04578	57.3
162.04860	1.9
169.17064	1.4
182.05864	78.4
183.06218	2.8
191.05479	1.7
197.08217	85.9
198.08591	4.6
233.06741	8.2
262.48230	1.5
269.10321	96.3
270.10672	8.4
272.82498	1.6
293.08890	4.4
380.76056	1.4
401.14560	87.1
402.14993	8.9
405.43042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01877	1.0
57.03445	0.5
59.01390	3.4
67.01884	0.9
69.03439	0.7
69.10905	1.4
69.11314	0.4
71.01389	3.1
72.99293	0.4
73.02952	1.7
78.01118	0.3
79.01900	0.9
81.03488	0.3
82.00588	0.4
83.01386	1.6
83.31120	0.3
85.02949	2.4
86.00095	0.8
87.00870	0.4
95.01376	1.8
97.02948	1.2
99.00887	0.7
101.02453	4.0
107.01392	3.2
111.00919	2.0
113.02455	1.3
123.00900	17.6
124.01686	15.3
125.02468	13.9
126.02743	0.5
127.00354	0.6
136.98813	1.3
137.02422	0.3
139.00414	3.1
140.01196	2.3
141.01944	3.1
141.43596	0.3
151.00383	11.4
152.00641	0.4
153.01913	0.8
161.04538	0.4
161.21649	0.3
163.04054	0.4
168.00648	4.5
169.01439	16.5
170.01791	0.3
179.03560	0.3
180.27292	0.3
181.05101	0.5
253.03551	0.4
313.05597	0.9
386.59592	0.3
401.14529	100.0
402.14890	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
67.01879	0.9
69.03463	1.2
70.24103	0.7
70.24430	0.7
70.94774	0.4
71.01390	4.5
73.02950	1.7
79.01881	1.0
83.01393	1.8
85.02979	2.6
87.00899	0.9
89.02456	0.8
95.01395	1.9
97.02964	1.0
99.46274	0.5
101.02460	4.2
107.01419	3.6
107.85487	0.6
111.00890	1.7
113.02433	2.5
120.21130	0.5
122.09769	1.8
123.00901	17.7
124.01684	14.6
125.02468	14.9
126.02803	0.6
127.00364	1.0
136.98808	1.2
139.00394	3.2
140.01158	2.1
141.01950	2.7
151.00372	13.6
153.01953	0.7
164.07182	1.1
166.08771	2.8
168.00635	4.6
169.01434	18.4
170.01735	1.0
225.45578	0.5
240.12469	6.7
313.05750	0.7
323.74313	0.5
332.68433	0.6
401.14532	100.0
402.14847	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	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92755	0.3
55.01889	2.2
57.03457	3.4
58.00598	0.5
59.01384	34.2
60.01722	0.4
69.03445	0.6
71.01387	20.7
72.99299	0.7
73.02956	5.4
75.00855	0.4
76.45821	0.3
83.01390	4.1
85.02956	10.1
86.00093	0.5
87.00871	1.2
89.02450	9.0
95.01391	1.9
96.96066	0.6
99.00881	1.9
101.02449	16.6
111.00923	0.4
113.02457	8.0
119.03500	3.3
119.80739	0.4
123.08187	3.1
125.02466	0.5
130.22235	0.3
143.03551	0.4
151.04036	0.5
151.11237	0.3
159.02986	0.4
160.79216	0.4
161.04570	1.4
169.01393	0.3
175.11348	0.5
177.12868	5.5
178.13185	0.4
190.06328	1.8
195.13910	2.8
201.09135	0.4
215.05424	0.3
219.10262	2.4
221.11865	4.5
222.12364	0.4
239.13072	0.3
328.95444	0.4
350.70770	0.4
383.13455	2.0
401.18185	100.0
402.18542	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	401.1821
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01878	2.1
57.03448	3.2
59.01387	35.2
71.01392	21.2
72.99313	1.1
73.02961	6.2
81.97192	0.6
83.01387	4.7
85.02966	9.8
85.51675	0.6
87.00890	1.5
89.02454	9.7
95.01408	2.3
97.03069	0.7
99.00884	2.1
101.02463	18.7
113.02467	8.1
119.03507	4.2
119.77416	0.7
123.08159	3.2
125.02453	1.4
143.03479	0.6
151.04056	0.6
159.03099	0.7
160.75485	0.6
161.04579	2.4
161.09702	1.1
165.01907	0.7
169.01421	1.1
177.12875	6.5
195.13936	2.6
203.10812	1.0
221.11810	5.5
239.12996	0.8
277.39279	0.6
316.03577	0.7
347.24466	0.6
357.18430	0.7
401.18182	100.0
402.18564	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	401.182
Annotation	Spionoside B
Peak:m/z	Relative Intensity
51.97133	0.5
56.77163	0.5
57.03445	0.8
59.01382	11.4
70.51015	0.9
71.01391	3.3
73.02964	1.5
83.05030	0.6
85.02949	2.2
89.02451	3.1
91.04000	0.8
94.68406	0.5
97.06595	0.9
101.02458	1.5
106.04226	0.7
107.01408	0.5
107.05032	0.9
113.02469	2.9
119.03508	0.7
125.02438	0.9
142.58687	0.6
142.79379	0.5
159.11858	0.6
169.01552	1.1
177.12854	6.5
179.05658	0.7
195.13910	100.0
196.14247	7.5
203.10806	1.7
219.13910	1.9
221.11832	1.8
239.12900	85.8
240.13252	6.7
243.87045	0.5
263.12869	3.8
271.99686	0.5
281.14069	2.6
296.13641	0.5
327.21738	2.9
369.06088	0.8
401.08887	2.8
401.18106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11703	1.1
56.30861	1.2
59.51831	1.2
64.33585	1.1
106.38761	1.2
113.92013	1.1
121.02956	1.8
172.10870	1.3
226.73555	1.2
237.62640	1.1
247.11319	7.3
311.14398	2.8
313.15976	3.8
331.17047	25.3
332.17419	2.8
333.18539	8.5
401.24881	100.0
402.25272	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	402.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35058	0.3
59.01387	1.9
67.05121	0.3
68.30060	0.3
71.01378	1.1
71.05016	1.0
71.42712	0.4
72.00905	0.5
74.33958	0.3
79.85767	0.4
79.95740	14.8
80.96524	4.1
85.02947	0.3
88.04067	0.8
95.01432	0.4
95.95232	0.4
96.95387	0.5
96.96021	9.8
98.06097	0.3
105.96062	0.5
113.02473	0.4
113.77673	0.3
114.05600	0.4
121.02967	27.4
122.03278	0.9
124.07701	1.6
125.02444	0.3
126.09240	1.4
128.07187	5.8
135.04546	3.1
136.04831	2.0
144.03008	0.5
149.06097	0.9
151.00662	1.2
154.08746	1.5
158.65901	0.3
169.01451	0.7
179.03494	3.8
180.03893	2.8
181.01761	0.9
183.72314	0.3
186.07675	0.6
189.01913	0.4
200.09296	4.6
205.00931	0.3
208.02859	100.0
209.03163	4.1
217.00946	0.4
218.02226	0.4
244.00079	0.5
245.00612	0.7
257.08212	0.3
271.06393	0.4
271.99496	0.7
272.99945	0.8
280.04977	46.2
281.05334	2.5
287.05661	0.3
299.09048	0.7
304.02277	0.4
305.02615	0.8
315.08679	0.4
322.12997	1.1
327.08954	0.4
370.06528	0.4
401.36728	0.4
402.08688	46.2
403.09549	5.9
403.19455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80271	6.8
59.01379	16.6
61.90962	6.3
61.98830	55.4
68.99834	7.7
79.95746	16.5
96.96037	16.2
98.22666	18.7
108.02190	11.6
121.02984	31.7
123.04525	8.4
124.95144	6.8
128.07224	7.9
136.01602	6.7
138.03209	9.3
161.02464	7.0
162.03328	8.5
169.01431	8.8
177.05530	15.4
178.02658	14.2
181.53529	6.9
193.05083	29.8
194.05844	15.4
208.02843	100.0
209.08218	10.5
249.61102	6.5
280.05038	41.8
299.09155	11.3
327.08755	24.2
355.41260	8.1
402.08765	50.4
403.10187	71.5
403.14044	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	402.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80271	6.8
59.01379	16.6
61.90962	6.3
61.98830	55.4
68.99834	7.7
79.95746	16.5
96.96037	16.2
98.22666	18.7
108.02190	11.6
121.02984	31.7
123.04525	8.4
124.95144	6.8
128.07224	7.9
136.01602	6.7
138.03209	9.3
161.02464	7.0
162.03328	8.5
169.01431	8.8
177.05530	15.4
178.02658	14.2
181.53529	6.9
193.05083	29.8
194.05844	15.4
208.02843	100.0
209.08218	10.5
249.61102	6.5
280.05038	41.8
299.09155	11.3
327.08755	24.2
355.41260	8.1
402.08765	50.4
403.10187	71.5
403.14044	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	402.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	19.9
61.98809	0.9
71.01389	6.2
73.02951	7.9
81.55621	0.7
83.01411	1.3
85.02966	2.4
87.00903	1.2
89.02433	3.7
95.01380	1.5
97.02958	1.4
97.23503	0.7
98.21883	1.4
99.00885	2.7
101.02452	4.2
107.01418	1.1
113.02478	4.2
115.79582	0.7
116.74472	0.7
117.02007	0.9
119.03526	1.1
120.08165	1.2
122.09779	31.6
123.00901	3.6
123.10149	1.3
123.62927	0.8
124.01795	3.7
125.02582	3.7
126.02854	0.8
134.09753	1.6
136.07695	2.5
139.00366	0.8
145.01411	5.2
151.00392	3.3
152.00711	1.8
160.11324	1.6
161.04553	0.9
163.02512	3.1
164.07195	7.4
165.07976	4.1
166.05142	1.8
166.08759	47.1
167.09048	1.8
169.01453	3.7
170.01825	2.4
175.02625	0.9
176.03558	1.0
178.12338	1.4
180.06757	1.4
180.10309	2.6
197.11815	1.9
204.02985	0.9
208.09805	3.7
213.09233	2.1
222.11446	1.2
240.12437	100.0
241.10777	3.1
241.12943	6.2
257.08173	4.4
262.01147	1.0
282.13608	3.8
283.11230	2.8
308.11200	1.0
309.08731	2.3
327.09686	2.9
341.11441	1.3
343.14264	1.4
359.07742	1.5
371.09024	1.1
402.14926	35.7
403.06345	1.6
403.11362	3.3
403.15253	3.1
403.23547	1.8
414.21097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.104
Annotation	Conyzatin
Peak:m/z	Relative Intensity
50.18406	0.4
52.59482	0.4
53.01933	0.5
56.80738	0.6
59.01377	1.2
61.98820	1.0
64.31449	0.5
69.08989	0.4
71.01385	0.6
73.02953	0.8
74.63844	0.4
80.60070	0.4
95.01446	0.6
98.21904	1.8
115.04025	2.4
119.05076	0.6
121.02977	0.7
123.04554	0.7
133.02960	0.9
147.04498	0.8
161.02440	1.3
162.03166	0.7
169.15918	0.5
174.03261	0.7
175.00455	0.8
175.04007	2.7
176.01158	1.6
177.01945	4.9
178.02654	0.7
179.03487	0.8
183.04564	1.2
186.03215	0.7
187.03976	0.8
189.01941	6.5
190.02721	3.5
191.03482	0.9
198.06958	0.6
199.03976	1.1
200.04845	0.8
201.05559	0.6
202.02690	1.8
203.03520	11.9
204.04266	7.5
205.01416	1.6
205.04741	0.6
211.04045	1.7
213.02048	0.6
213.05644	0.9
214.02757	1.0
215.03502	1.6
217.01549	0.8
219.06642	2.0
225.05589	2.2
226.06369	0.6
227.03548	6.8
228.04234	3.4
229.01468	1.0
229.05083	5.6
230.02214	1.5
231.03061	0.5
238.06412	0.5
239.07170	0.9
240.04353	0.9
241.05096	2.0
242.02182	2.2
242.05852	2.0
243.03014	0.9
243.06596	1.4
245.00912	0.5
247.06171	4.7
253.05043	1.2
253.08719	1.4
255.03053	2.8
255.06761	0.9
255.10304	0.7
256.03802	2.5
256.07339	0.6
257.04623	1.1
257.08176	1.2
262.04874	1.1
267.06757	0.7
269.04523	2.3
270.05325	3.5
271.06055	1.6
271.09750	2.8
272.06863	0.5
280.03815	1.0
281.08182	2.2
283.09766	1.1
284.07141	0.7
285.04034	3.4
285.07434	1.2
286.04745	0.8
287.05646	8.6
297.07718	1.6
299.05930	1.2
299.09262	18.3
300.09650	1.5
309.07690	1.7
313.03732	0.7
325.07153	1.3
327.08755	28.1
328.09137	3.1
331.11905	5.3
343.08218	6.2
344.08417	0.6
357.09998	0.8
359.11313	3.3
360.11661	0.5
371.07822	5.6
372.07999	0.7
375.10764	6.5
403.10355	100.0
404.10715	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.3
57.46166	2.0
59.01384	63.5
62.28579	2.4
69.23877	9.3
69.24282	4.3
71.01380	13.8
72.99284	2.4
73.02961	10.5
79.61055	2.3
81.27395	2.0
83.01366	2.8
85.02950	4.4
87.00849	4.5
89.02419	7.5
98.59177	2.1
99.00898	16.6
101.02423	7.5
112.01183	2.1
113.02412	6.0
114.13668	2.1
117.01921	4.5
122.06094	3.5
122.09720	10.1
123.10088	5.9
125.02432	2.9
130.02913	2.7
131.03819	2.6
132.04588	14.4
137.09705	4.2
145.01431	28.3
148.03986	2.5
149.02563	2.3
150.05551	3.2
155.10774	3.4
158.02420	6.9
160.04002	7.4
163.02426	10.2
164.07132	3.6
166.02664	2.1
166.08768	15.4
167.09029	10.0
169.01355	2.2
174.05574	4.0
175.02638	4.1
176.03487	14.1
177.01880	3.4
179.10767	2.6
181.08688	2.2
190.05122	14.3
197.11856	13.5
199.09825	3.3
204.02847	4.0
205.01349	3.2
206.02133	3.3
211.12328	4.1
212.05736	2.5
212.10757	3.9
213.09120	8.6
215.11778	2.9
224.09447	7.5
226.07448	3.9
227.08241	5.3
231.10265	3.6
234.03941	3.6
239.11899	18.6
240.10228	5.7
240.12436	29.3
241.10579	27.3
241.12730	24.5
243.11530	2.8
253.06203	18.8
254.06781	4.1
255.07640	4.4
255.11290	5.1
257.08215	22.6
258.08609	2.3
261.00375	2.1
262.01019	9.6
267.07651	6.2
268.08347	8.5
271.07150	2.6
281.09073	7.0
283.10880	45.4
287.14764	3.9
309.08817	18.8
313.12698	3.9
327.06320	2.8
327.09882	50.9
328.09729	2.4
331.08380	3.3
341.11334	3.9
343.13782	7.9
359.07498	15.3
359.12262	6.6
371.08826	44.8
385.10196	3.2
403.06100	5.9
403.11209	100.0
403.23361	15.7
404.11484	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.3
57.46166	2.0
59.01384	63.5
62.28579	2.4
69.23877	9.3
69.24282	4.3
71.01380	13.8
72.99284	2.4
73.02961	10.5
79.61055	2.3
81.27395	2.0
83.01366	2.8
85.02950	4.4
87.00849	4.5
89.02419	7.5
98.59177	2.1
99.00898	16.6
101.02423	7.5
112.01183	2.1
113.02412	6.0
114.13668	2.1
117.01921	4.5
122.06094	3.5
122.09720	10.1
123.10088	5.9
125.02432	2.9
130.02913	2.7
131.03819	2.6
132.04588	14.4
137.09705	4.2
145.01431	28.3
148.03986	2.5
149.02563	2.3
150.05551	3.2
155.10774	3.4
158.02420	6.9
160.04002	7.4
163.02426	10.2
164.07132	3.6
166.02664	2.1
166.08768	15.4
167.09029	10.0
169.01355	2.2
174.05574	4.0
175.02638	4.1
176.03487	14.1
177.01880	3.4
179.10767	2.6
181.08688	2.2
190.05122	14.3
197.11856	13.5
199.09825	3.3
204.02847	4.0
205.01349	3.2
206.02133	3.3
211.12328	4.1
212.05736	2.5
212.10757	3.9
213.09120	8.6
215.11778	2.9
224.09447	7.5
226.07448	3.9
227.08241	5.3
231.10265	3.6
234.03941	3.6
239.11899	18.6
240.10228	5.7
240.12436	29.3
241.10579	27.3
241.12730	24.5
243.11530	2.8
253.06203	18.8
254.06781	4.1
255.07640	4.4
255.11290	5.1
257.08215	22.6
258.08609	2.3
261.00375	2.1
262.01019	9.6
267.07651	6.2
268.08347	8.5
271.07150	2.6
281.09073	7.0
283.10880	45.4
287.14764	3.9
309.08817	18.8
313.12698	3.9
327.06320	2.8
327.09882	50.9
328.09729	2.4
331.08380	3.3
341.11334	3.9
343.13782	7.9
359.07498	15.3
359.12262	6.6
371.08826	44.8
385.10196	3.2
403.06100	5.9
403.11209	100.0
403.23361	15.7
404.11484	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.3
57.46166	2.0
59.01384	63.5
62.28579	2.4
69.23877	9.3
69.24282	4.3
71.01380	13.8
72.99284	2.4
73.02961	10.5
79.61055	2.3
81.27395	2.0
83.01366	2.8
85.02950	4.4
87.00849	4.5
89.02419	7.5
98.59177	2.1
99.00898	16.6
101.02423	7.5
112.01183	2.1
113.02412	6.0
114.13668	2.1
117.01921	4.5
122.06094	3.5
122.09720	10.1
123.10088	5.9
125.02432	2.9
130.02913	2.7
131.03819	2.6
132.04588	14.4
137.09705	4.2
145.01431	28.3
148.03986	2.5
149.02563	2.3
150.05551	3.2
155.10774	3.4
158.02420	6.9
160.04002	7.4
163.02426	10.2
164.07132	3.6
166.02664	2.1
166.08768	15.4
167.09029	10.0
169.01355	2.2
174.05574	4.0
175.02638	4.1
176.03487	14.1
177.01880	3.4
179.10767	2.6
181.08688	2.2
190.05122	14.3
197.11856	13.5
199.09825	3.3
204.02847	4.0
205.01349	3.2
206.02133	3.3
211.12328	4.1
212.05736	2.5
212.10757	3.9
213.09120	8.6
215.11778	2.9
224.09447	7.5
226.07448	3.9
227.08241	5.3
231.10265	3.6
234.03941	3.6
239.11899	18.6
240.10228	5.7
240.12436	29.3
241.10579	27.3
241.12730	24.5
243.11530	2.8
253.06203	18.8
254.06781	4.1
255.07640	4.4
255.11290	5.1
257.08215	22.6
258.08609	2.3
261.00375	2.1
262.01019	9.6
267.07651	6.2
268.08347	8.5
271.07150	2.6
281.09073	7.0
283.10880	45.4
287.14764	3.9
309.08817	18.8
313.12698	3.9
327.06320	2.8
327.09882	50.9
328.09729	2.4
331.08380	3.3
341.11334	3.9
343.13782	7.9
359.07498	15.3
359.12262	6.6
371.08826	44.8
385.10196	3.2
403.06100	5.9
403.11209	100.0
403.23361	15.7
404.11484	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03455	0.6
59.01118	0.6
59.01387	6.0
67.01895	1.4
71.01389	5.6
71.26039	0.6
72.99326	0.5
73.02950	1.9
74.02487	0.6
75.00905	0.3
78.01102	0.7
79.01913	1.4
81.03490	0.4
82.00590	0.5
83.01398	1.4
85.02953	3.3
86.00124	0.7
86.39601	0.4
87.00872	0.8
89.02457	1.0
90.98605	1.0
95.01387	2.3
97.02962	1.5
99.00893	0.7
99.05661	0.8
100.50155	0.4
101.02447	4.5
103.70365	0.3
107.01402	4.3
111.00889	1.6
112.04045	0.4
113.02470	1.9
123.00899	20.6
123.04584	0.4
124.01682	17.4
125.02463	14.7
127.00368	0.7
128.03549	1.5
136.98822	1.4
139.00385	3.8
140.01196	2.5
141.01961	3.3
143.04634	1.6
149.06099	1.8
151.00385	13.7
152.00667	0.4
153.01985	0.8
160.00703	0.6
161.04619	0.5
163.04071	0.5
168.00655	3.9
169.01436	20.3
170.01819	0.7
182.05835	0.3
197.06551	0.4
198.08551	0.6
211.02478	0.5
253.03596	0.6
254.07848	0.5
272.08875	1.4
306.07724	2.2
313.05603	0.9
315.02853	0.4
403.12469	100.0
404.12915	11.4
404.18115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03436	0.5
59.01386	6.5
65.74742	0.3
67.01897	0.8
69.03462	0.6
69.40426	0.3
71.01391	6.1
71.09233	0.6
73.02957	2.2
73.87781	0.4
75.00877	0.4
78.01123	0.4
79.01882	0.8
82.00607	0.7
82.19070	0.3
83.01388	1.9
85.02962	4.1
86.00083	0.5
86.99943	0.3
87.00864	1.0
87.04514	0.4
89.02454	1.3
95.01402	2.4
97.02982	0.9
99.00889	0.8
101.02457	5.2
101.52495	0.4
107.01396	4.6
111.00899	1.4
113.02458	2.6
119.03505	0.5
123.00896	18.2
124.01698	13.2
125.02469	18.1
127.00386	0.8
128.03558	0.4
136.98798	1.1
139.00386	2.7
140.01183	2.3
141.01936	3.8
143.04648	0.9
151.00383	13.1
153.01968	1.1
161.04579	0.7
167.03511	0.4
168.00648	3.2
169.01445	22.3
170.01732	0.7
181.05054	0.6
206.94704	0.3
208.49367	0.3
209.04553	0.3
211.02472	0.8
241.14458	0.5
243.91344	0.3
253.03493	0.4
271.04617	1.0
272.08881	0.4
277.02933	0.3
279.93362	0.4
306.07645	0.8
313.05698	2.0
403.12476	100.0
404.12839	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
59.01384	6.5
67.01869	0.8
69.03445	0.8
69.60555	1.8
71.01387	5.0
72.35983	0.5
73.02956	2.0
79.01891	1.1
82.85667	0.4
83.01398	1.7
85.02959	3.5
87.00869	0.6
89.02452	1.4
95.01392	1.9
97.02952	1.0
99.00877	0.7
99.05650	0.9
101.02454	5.1
107.01391	3.8
111.00893	2.1
113.02449	2.5
123.00895	17.6
124.01686	14.4
124.02612	0.5
125.02464	17.8
127.00386	0.7
128.03571	1.7
136.98849	1.0
139.00392	2.5
140.01155	1.4
141.01942	2.9
143.04643	2.1
151.00386	12.4
152.00703	1.0
153.01971	0.7
160.00810	0.7
161.04678	0.7
163.04120	0.6
168.00639	3.9
169.01454	20.6
170.01768	0.5
176.37860	0.6
210.08966	0.6
211.02399	0.6
225.03908	0.5
237.45877	0.5
254.07523	0.5
271.04587	0.8
272.08838	1.2
306.07697	2.4
313.05545	1.7
403.12460	100.0
404.12830	10.3
407.54712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70699	0.7
59.01385	100.0
60.01727	1.1
66.66643	0.8
71.01395	2.5
73.02940	0.9
83.01399	1.1
85.02993	1.8
95.92622	0.7
101.02482	2.4
113.02480	0.9
134.03714	1.2
148.11456	0.9
161.04704	0.8
164.21361	0.7
169.47073	0.7
202.98431	0.8
205.08806	1.7
211.13568	0.7
215.10886	1.1
217.01457	0.9
243.10262	2.6
245.00941	1.7
249.07782	1.0
273.00415	4.7
287.09244	1.8
289.78455	0.8
315.08624	0.9
329.23499	1.6
339.78809	0.8
359.08020	0.9
403.06415	2.2
403.10614	2.5
403.17615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38287	8.1
57.03438	10.0
59.01385	100.0
60.76623	7.7
61.98821	12.6
70.94012	18.1
71.01394	17.0
73.02977	23.4
78.36604	8.4
80.42183	8.5
83.01420	13.9
85.02950	16.5
89.02432	13.7
95.01450	15.4
97.02979	10.1
109.02977	16.5
111.04543	13.9
116.92860	21.6
123.00905	13.2
125.02448	73.1
137.02496	24.5
139.03984	14.4
149.02438	13.5
155.10831	10.8
159.11916	9.2
160.04095	13.1
162.03244	8.8
165.01976	21.5
167.03543	23.7
177.05545	13.1
179.03545	14.5
191.00183	8.5
191.07204	12.6
201.11317	9.2
201.25397	8.5
219.06644	14.3
241.10741	16.9
300.99911	17.3
305.06732	98.5
359.11700	15.7
403.15005	51.6
403.23508	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	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01386	100.0
60.01719	0.8
67.01907	1.1
69.03465	1.6
69.37849	0.7
71.01392	12.6
73.02972	2.8
74.02490	1.4
79.01926	1.1
83.01418	2.3
85.02966	6.4
87.00881	1.3
89.02453	6.1
95.01406	3.0
97.02949	1.3
99.00907	0.8
99.05684	0.8
101.02454	8.7
104.86362	0.8
107.01413	4.2
109.21246	0.7
111.00897	1.5
113.02475	6.2
119.03521	2.9
121.02951	2.5
123.00901	16.4
124.01707	8.4
124.34987	0.8
125.02468	14.9
128.03571	3.4
135.04536	0.7
136.98793	0.9
137.02444	1.7
139.00409	2.4
140.01183	2.4
141.01952	2.8
143.03596	1.2
143.04568	3.9
146.04591	1.0
151.00362	10.9
153.01909	0.7
159.02982	1.0
161.04573	7.6
165.05547	1.1
166.06375	10.9
168.00667	3.1
169.01450	20.9
169.02820	1.5
181.08717	13.5
211.02304	0.9
241.14456	3.0
254.07864	1.5
272.08997	1.8
274.01266	0.9
279.23798	0.7
300.99887	1.3
306.07535	5.4
313.05679	1.3
331.96100	0.8
403.12445	90.5
404.12848	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	403.1613
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03455	4.2
59.01385	97.1
60.01728	1.3
61.50971	0.7
62.03029	0.7
67.05532	0.8
71.01392	12.5
71.40534	0.6
73.02956	4.2
83.01387	4.2
83.73526	0.7
85.02962	2.8
87.00867	2.4
89.02450	9.7
95.01369	1.0
97.02968	0.7
97.06604	0.9
99.04557	1.5
101.02460	6.9
105.97514	0.7
105.98386	0.6
113.02481	5.4
119.03536	3.4
119.08690	3.0
121.06607	1.9
125.02458	0.9
133.10280	1.3
133.76424	0.8
133.77429	0.8
135.04549	5.5
135.08138	1.3
135.11823	1.9
137.09734	4.9
161.04572	1.2
161.09756	4.9
163.07664	1.7
169.01398	0.7
179.03606	1.8
179.05679	1.2
179.10814	7.7
181.08711	13.7
187.02466	2.5
197.11850	61.7
198.12259	3.7
205.08742	1.1
223.09831	6.1
241.10832	100.0
242.11176	8.5
265.10764	1.5
283.11835	2.2
307.04266	0.9
385.14053	1.1
403.16037	7.3
403.23599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03449	3.3
59.01384	100.0
60.01716	1.4
62.67174	0.9
64.81767	1.0
69.11305	7.1
71.01384	11.7
71.05027	1.5
72.54453	1.0
72.99316	1.5
73.02955	7.7
83.01388	2.9
83.05030	1.6
85.02947	4.9
87.00901	7.5
87.04507	1.1
89.02462	6.0
95.01356	1.3
97.02975	1.8
99.04557	1.6
101.02448	7.3
113.02449	4.7
119.03509	3.4
119.08641	2.6
123.00947	2.0
123.01888	1.0
123.08215	2.0
125.02451	1.9
131.03484	1.4
133.10229	2.8
135.04556	3.5
135.08173	2.8
135.11758	2.5
137.02437	1.9
137.09721	4.5
138.02005	1.3
139.00444	1.5
147.04541	1.3
155.10765	2.8
159.04494	1.0
159.11784	3.8
161.04515	1.7
161.09698	5.2
163.07657	3.8
163.11307	1.5
169.01349	1.2
178.86836	1.1
179.03554	1.0
179.10791	14.0
181.08743	8.5
188.04848	1.5
190.02760	1.4
197.11845	46.7
198.12225	3.8
223.09761	19.7
223.13248	1.6
225.61734	1.0
241.10840	72.0
242.11162	3.2
261.00354	1.1
269.09467	1.6
275.89185	1.1
283.11890	23.1
284.12198	2.9
309.08679	1.6
313.13022	7.0
313.65558	1.1
315.08395	1.3
327.09927	3.5
328.09564	2.3
343.14197	30.7
344.14294	3.4
349.09052	1.4
359.08276	1.0
373.12997	1.6
375.84430	1.0
388.11880	1.5
403.15851	11.4
403.20343	2.0
403.77069	1.2
404.16119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.4
59.01383	100.0
60.01698	1.4
67.05533	1.1
69.36137	2.4
69.36548	3.8
71.01383	46.1
72.99301	1.1
85.02945	6.2
87.00901	2.5
89.02447	47.1
95.01413	2.6
98.21924	2.4
99.04525	6.9
101.02450	20.4
111.04539	2.0
113.02456	17.1
119.03503	17.4
124.05337	2.9
128.17258	1.1
131.03535	4.2
135.11806	5.2
143.03502	2.6
149.04561	1.3
150.21893	1.1
155.10809	1.3
157.42012	1.2
160.04100	2.2
161.04512	2.3
161.09734	4.7
179.05684	6.6
179.10776	44.5
180.11086	1.8
197.11832	3.5
223.09764	97.9
224.10077	7.1
241.10867	9.9
403.16159	8.1
403.23480	1.8
404.16226	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37756	55.3
57.30349	54.0
61.98830	60.0
69.51997	50.7
90.88973	53.1
388.79803	59.3
393.53085	56.3
403.31927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37756	55.3
57.30349	54.0
61.98830	60.0
69.51997	50.7
90.88973	53.1
388.79803	59.3
393.53085	56.3
403.31927	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	404.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
61.98834	100.0
69.36388	1.8
69.36801	1.6
71.01384	1.8
87.00891	0.8
89.02472	1.6
98.21840	1.1
101.02433	0.9
113.02477	0.7
115.67304	0.6
116.07987	0.5
123.00924	1.3
124.01712	0.6
125.02451	1.9
135.04539	6.8
139.04050	0.7
141.15710	0.6
169.01454	3.0
170.01825	0.6
179.03632	0.6
189.95624	0.7
404.12881	2.8
421.07159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33931	1.4
58.02981	11.8
59.01382	14.8
66.22276	1.3
69.34200	7.7
71.01377	5.2
72.00922	2.0
73.02960	2.8
74.02481	26.6
81.04588	2.3
82.02982	2.2
83.01374	1.5
85.02914	1.6
86.02506	10.3
86.99126	1.5
87.05647	8.7
89.02450	4.3
90.00197	2.9
97.04067	2.4
98.22604	3.3
99.05647	23.9
101.02437	4.3
101.07243	2.7
102.05612	3.2
109.04078	2.2
111.00877	1.8
111.05562	1.5
112.04037	4.2
113.02480	2.2
113.03548	2.7
116.01744	1.9
123.00916	6.4
123.05672	1.5
124.01730	3.1
124.04065	2.5
125.02427	5.5
125.06144	1.4
126.02734	1.9
127.05131	4.6
128.03551	60.2
129.03928	1.6
135.05655	5.5
137.07220	2.1
139.00258	2.1
141.06708	5.6
142.02205	1.4
143.04636	83.4
144.05023	2.4
145.06189	4.1
146.04591	8.4
151.00330	3.6
153.06703	5.6
160.00749	22.7
165.81956	1.5
166.09819	3.7
167.04655	5.8
167.08322	3.5
169.01501	7.7
170.01743	3.7
170.03230	1.5
177.03395	8.2
179.04691	12.6
181.06160	1.8
185.05739	3.4
197.05582	3.5
198.08717	1.4
210.08867	14.4
216.75706	1.3
242.07846	3.0
244.60063	1.5
245.00751	1.4
254.07855	22.2
272.08881	40.3
272.11832	2.2
273.09262	3.0
275.53464	1.4
288.06674	11.1
299.08981	1.9
306.07669	100.0
307.07919	8.1
390.07474	1.7
404.12769	47.0
405.12860	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	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	11.7
61.98816	1.5
67.01888	1.3
71.01392	8.5
72.99312	1.0
73.02943	2.2
79.01888	1.4
85.02945	3.9
87.00898	2.5
89.02467	2.3
95.01420	2.6
97.02959	1.3
101.02479	5.3
107.01405	3.7
111.00876	1.3
113.02460	4.1
123.00901	17.6
123.04521	1.4
124.01706	7.3
125.02462	19.3
137.02446	1.6
139.00386	3.9
140.01173	2.9
141.01945	4.3
149.02542	1.4
151.00406	12.3
151.03966	1.1
161.04567	2.1
164.01173	2.0
165.01978	8.0
168.00668	3.5
169.01456	24.8
170.01881	1.3
177.01913	4.5
179.03510	17.8
180.04291	10.4
181.04642	1.1
191.03397	1.0
192.04384	1.6
194.05896	7.6
195.02963	1.8
195.06647	35.3
196.06935	1.3
201.01894	1.7
209.76083	1.1
210.05241	1.4
225.07721	8.8
229.01323	1.8
232.30371	1.1
257.00943	1.4
275.02069	4.1
278.13477	1.1
285.00525	1.2
300.99939	6.0
313.05658	2.6
333.39005	1.2
357.11691	2.3
405.10416	100.0
406.10748	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	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09040	0.8
58.65979	0.6
59.01387	100.0
60.01729	0.7
61.44156	0.6
70.23283	0.6
70.61834	0.9
71.64358	0.6
120.10873	0.8
122.03757	0.8
153.02003	2.7
168.04312	3.5
183.06647	18.4
183.08264	1.0
184.06972	0.9
186.51364	0.7
301.00027	0.8
324.52783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99628	1.0
59.01383	5.5
73.02974	1.6
78.58495	1.1
85.02988	1.0
87.04507	1.5
93.03466	4.2
95.01406	1.5
97.21239	1.1
121.02943	8.4
122.03752	15.8
123.00874	2.1
123.04494	1.0
124.01662	1.4
124.41384	1.0
125.02473	3.3
133.02972	1.8
142.14658	1.1
149.02464	44.7
150.03242	91.6
151.03624	6.1
160.05228	1.3
161.02493	7.7
163.07663	1.2
164.04834	8.8
165.05583	100.0
166.05948	4.8
166.87033	1.4
169.01402	2.2
169.46689	1.0
171.10292	1.5
175.07672	1.9
176.04776	3.2
179.03511	12.2
180.04303	6.5
181.04675	1.3
183.03026	2.8
191.07170	1.7
194.05836	11.0
195.06645	54.2
196.06996	3.2
201.11540	1.3
209.08185	17.7
210.08470	1.5
245.73761	1.1
300.99905	5.2
342.11020	4.9
345.74689	1.1
356.21915	1.1
357.13492	28.5
358.13666	2.5
374.05029	1.1
387.27878	2.3
390.09402	2.0
405.20496	1.5
405.24823	4.0
405.28638	5.0
406.05560	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	405.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	10.5
59.01386	100.0
71.01395	24.6
71.41808	6.5
72.99328	15.1
73.02955	84.4
80.94490	6.3
83.01395	7.9
83.49975	6.4
85.02954	13.6
87.04504	7.3
89.02473	25.1
92.59548	6.2
95.01344	5.9
95.89218	7.3
101.02456	16.8
101.41073	6.5
113.02508	9.1
116.58315	6.1
119.03468	6.6
123.00907	20.9
133.20868	8.1
138.03262	21.6
153.05606	22.1
161.02374	9.4
169.01414	12.4
181.12381	10.1
225.11360	35.5
289.20154	13.4
301.00107	9.3
345.22656	9.3
363.23941	9.5
387.23886	13.4
405.03104	10.8
405.20444	60.6
405.25134	45.7
405.52701	11.9
406.21564	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	405.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86827	15.7
51.35140	17.2
59.01379	100.0
63.19578	20.3
67.99129	13.8
70.57703	24.8
71.01390	20.5
79.72166	16.8
85.02938	18.7
89.02457	26.1
92.61484	17.8
125.02450	25.9
134.03780	20.2
136.74750	18.0
144.29413	15.4
169.01469	37.3
193.05066	26.0
249.05969	19.2
280.42233	16.8
380.05331	20.4
397.46722	17.9
405.16406	28.1
405.25156	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1689
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
55.25572	14.3
59.01385	100.0
63.39413	13.8
71.01395	47.7
71.43689	15.2
72.84764	14.2
73.02979	23.8
75.00880	46.1
78.37186	13.0
89.02454	16.0
101.99707	14.3
105.42931	13.2
113.02528	18.4
125.02425	27.5
127.07664	25.6
169.01411	16.6
201.11339	21.9
343.08377	15.4
357.77652	14.9
361.09186	22.5
363.23926	42.5
405.16696	92.5
405.25320	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
58.16071	0.8
59.01384	52.3
59.57203	1.0
63.16396	0.8
67.26710	0.8
71.01387	4.1
71.05002	1.0
73.02959	10.4
78.46709	1.0
83.01354	0.9
83.04080	1.1
83.05014	1.5
85.02953	1.3
87.00883	1.1
87.04533	1.8
89.02441	1.4
98.33232	1.0
101.02463	2.7
102.97596	1.1
109.06665	0.9
113.02509	0.9
125.09698	2.4
137.02463	0.9
137.09732	1.0
139.11317	22.9
140.11617	1.2
150.03195	1.5
155.10751	1.1
165.05565	1.5
165.09184	1.3
169.12248	1.0
181.12364	13.3
183.10287	25.6
184.10693	1.6
199.13432	4.5
225.11359	10.7
239.03214	1.0
243.12378	100.0
244.12772	7.7
257.13968	2.2
285.13483	27.8
286.13773	1.9
311.10394	1.9
315.14426	3.7
329.11523	1.4
337.70325	1.0
343.08316	1.1
345.15625	21.3
345.22934	3.0
346.15588	2.1
363.23914	12.5
364.24475	1.4
387.23929	1.6
405.17441	4.8
405.25168	14.2
406.17929	1.5
406.25241	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89162	0.6
57.03431	0.9
59.01386	31.2
69.25894	2.0
69.26300	1.2
71.01385	14.2
71.89227	0.5
73.02959	4.3
73.14643	0.5
75.00853	0.6
83.01360	0.8
85.02972	4.0
89.02451	14.3
95.01408	1.1
95.04997	1.2
98.09621	0.4
99.04502	1.2
101.02450	6.8
102.39389	0.5
109.48332	0.5
113.02444	4.1
119.03508	4.7
125.02497	0.8
131.03465	0.6
143.03488	0.7
161.04587	0.8
163.11264	3.4
169.01457	1.3
179.05602	1.4
181.12361	20.8
182.12679	1.6
207.10474	0.6
225.11340	100.0
226.11703	7.0
243.12344	1.3
271.20663	0.5
275.02069	0.6
289.20270	0.6
300.99988	1.8
363.23975	0.6
405.17685	23.6
405.24765	2.2
406.18027	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54900	1.1
57.03441	2.6
59.01386	100.0
60.01721	1.8
69.03465	4.2
69.30889	3.4
69.62642	0.9
71.01385	5.8
73.02956	5.8
83.01366	1.0
85.02946	1.6
89.02467	5.1
101.02431	4.6
113.02465	3.9
119.03511	1.8
125.02444	1.0
139.11290	6.9
155.07111	0.9
161.04610	1.2
181.08641	1.4
181.12196	1.2
183.10287	44.3
184.10609	3.1
197.11842	1.9
225.11414	1.8
225.14980	3.5
243.12334	2.5
253.35599	0.9
265.58533	0.9
405.21478	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01863	1.5
57.03449	2.1
59.01384	91.6
69.03448	2.6
69.56827	4.0
71.01388	56.9
72.01732	0.9
72.99313	1.1
73.02956	4.0
77.93832	0.9
82.14678	0.8
83.01378	2.4
85.02965	11.0
87.00875	1.9
89.02455	45.3
90.02785	1.2
93.03455	3.7
95.01395	3.4
97.02965	1.4
99.00890	1.2
101.02450	26.2
107.01395	1.8
107.05047	2.4
109.02961	2.1
109.06596	2.5
113.02457	15.4
119.03525	17.4
125.02440	3.7
127.11250	2.3
129.01961	1.1
131.03418	1.3
135.04517	5.1
135.05363	0.9
139.08743	0.9
139.11288	1.0
143.03505	2.4
147.02989	0.9
149.04578	1.5
151.00400	2.0
153.01990	1.3
153.05498	1.2
153.12866	11.8
160.20416	0.8
161.04546	3.5
169.01474	1.8
179.05614	5.5
181.12294	1.1
199.13420	7.5
203.03505	1.1
217.01634	1.2
225.14917	5.5
231.15607	1.2
242.05785	1.7
243.06625	3.5
246.01477	1.6
247.15012	0.9
271.02475	1.9
329.06604	1.1
343.08344	2.1
361.09250	3.0
365.63535	1.0
405.11899	6.1
405.21243	100.0
406.21649	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01900	1.0
57.03457	4.1
58.00601	1.0
59.01385	100.0
60.01716	0.6
61.98831	5.4
69.09171	4.3
71.01388	57.8
71.05034	1.4
72.01718	0.9
72.99334	2.3
73.02948	5.5
75.29624	0.7
78.85661	0.7
83.01415	3.8
83.05058	1.5
83.32436	0.7
85.02958	12.5
87.00891	4.3
89.02454	57.5
90.02802	1.0
95.01386	4.8
95.05014	0.8
97.02953	0.8
97.06602	1.7
98.21906	1.8
99.00897	1.8
101.02454	33.9
109.06632	2.0
112.38592	0.7
113.02466	22.0
119.03520	27.1
123.00928	0.9
123.08209	1.4
125.02524	1.8
127.07710	1.1
131.03551	3.1
133.03049	0.9
135.04568	1.0
141.09213	1.2
143.03523	4.9
145.10332	1.0
147.08218	0.8
149.04654	2.1
149.09769	3.2
151.11320	1.5
153.02055	0.9
159.03093	1.4
161.02541	2.2
161.04576	9.7
163.04137	1.1
163.11339	1.8
167.10764	4.4
169.01431	1.6
179.05615	9.7
179.07124	0.8
181.12376	4.8
183.10313	1.0
191.03517	1.4
201.02092	0.8
203.03638	0.8
207.13983	2.3
219.99944	0.7
225.11397	1.2
225.14915	5.0
226.15210	0.8
243.16011	12.0
257.00858	0.9
273.00543	1.0
275.02127	1.0
279.61975	0.8
301.00140	2.6
319.01413	0.8
345.03119	1.1
387.20560	2.9
405.17715	3.7
405.21677	34.1
406.21951	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.18568	0.3
55.01881	1.4
57.03456	12.9
58.00600	1.3
59.01384	100.0
60.01715	1.1
61.48089	0.3
69.49097	1.6
71.01389	53.0
72.01737	0.6
72.99332	1.1
73.02957	2.9
83.01384	2.1
83.05022	2.3
85.02961	12.4
87.00893	1.7
87.04524	1.2
89.02453	60.9
90.02772	0.6
92.22703	0.4
95.01394	3.6
96.33757	0.4
98.21880	0.4
99.00875	0.8
101.02454	27.9
102.02779	0.5
109.06616	0.5
111.04565	0.4
112.05336	2.4
113.02460	20.5
113.06031	0.5
114.02764	0.6
114.04809	0.4
114.30385	0.4
119.03517	23.1
120.05828	1.1
123.04550	0.5
125.02451	1.1
125.06113	0.8
125.13257	0.4
128.03552	0.5
131.03503	2.6
131.08611	0.5
133.34711	0.4
134.07408	4.6
135.08189	3.7
137.09731	1.8
139.07686	4.8
139.11353	0.8
143.03535	4.1
149.04585	1.4
149.09738	35.2
150.10095	1.5
152.08432	0.6
153.09230	21.7
154.09604	1.4
159.02979	0.6
161.04576	8.2
167.10794	63.9
168.11142	3.3
171.10309	1.1
179.05653	6.5
191.10921	0.4
207.13947	1.6
209.11841	2.9
225.11362	0.4
225.15009	3.3
243.16042	11.8
244.16290	1.4
280.11725	0.4
307.07983	0.6
315.01422	1.0
320.16672	0.4
405.12970	2.0
405.21732	2.9
406.21732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01881	1.8
56.52164	0.7
57.03456	2.7
58.00614	1.3
59.01384	100.0
60.01728	0.8
70.61794	1.1
71.01387	46.9
71.05038	2.8
72.01729	1.1
72.66785	0.7
72.99311	0.9
73.02953	5.5
74.50064	0.7
83.01398	2.6
85.02959	10.8
87.00893	2.2
89.02451	57.9
90.02779	1.1
95.01430	3.0
97.02955	0.8
97.06624	1.0
98.21769	0.8
99.00886	0.9
101.02453	30.7
102.02751	0.9
111.08179	1.3
113.02460	21.3
119.03516	28.2
120.03899	0.8
123.00917	1.0
123.08208	1.0
125.02509	1.1
128.03589	1.0
131.03545	2.3
137.09756	0.7
143.03531	4.7
143.04570	1.3
149.04593	1.6
149.09694	1.2
151.11272	1.2
161.04536	6.3
163.11302	2.0
165.09142	0.8
179.05655	12.8
181.12355	7.9
207.13953	9.1
225.11491	1.8
225.14970	4.5
243.15994	17.2
244.16327	1.0
353.68930	0.7
387.20273	7.3
388.20508	0.8
405.13428	3.5
405.21335	42.0
406.21747	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	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01885	2.5
57.03451	1.4
59.01385	43.9
60.01685	0.5
69.03422	0.5
71.01391	24.1
71.05010	0.8
71.41656	0.6
72.99307	1.0
73.02950	4.5
75.38448	0.5
83.01403	3.7
85.02955	8.0
85.06583	1.9
87.00893	1.9
89.02458	14.5
95.01394	2.1
97.06581	0.6
99.00880	3.5
99.48815	0.5
101.02454	14.5
107.77222	0.5
113.02459	9.5
119.03522	4.7
129.01939	1.6
143.03490	0.8
147.02989	1.0
149.04562	0.5
155.14455	7.1
156.14755	0.6
161.04637	0.7
172.05325	2.3
173.06139	0.8
179.05717	1.1
181.12347	0.6
181.16017	3.9
182.16405	0.5
183.04576	0.8
187.04044	0.6
187.05974	0.4
187.07632	10.2
188.08034	0.8
199.03979	0.9
199.13412	18.3
200.04607	0.5
200.13742	0.9
211.07782	0.7
213.09261	1.5
215.07129	1.8
225.15009	5.2
227.03519	1.7
228.04240	1.2
231.10205	1.1
257.08228	8.3
258.08517	0.6
275.09363	1.4
387.20221	1.2
388.20880	0.6
405.21329	100.0
406.16330	0.6
406.21655	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01886	1.0
57.03437	0.9
59.01386	78.1
59.47897	0.5
60.01715	1.0
61.65722	0.5
64.22099	0.5
70.08683	0.6
71.01387	62.0
71.04128	0.5
72.01727	0.8
72.99301	0.7
73.02955	2.8
75.00883	0.8
80.19955	0.5
83.01385	2.8
85.02959	10.6
87.00883	1.2
89.02450	30.6
95.01406	2.0
95.32500	0.5
96.96003	1.1
98.22658	1.0
99.00893	1.7
101.01799	1.2
101.02457	20.8
102.79395	0.5
108.02192	0.5
113.02453	13.1
119.03516	12.8
119.04334	0.9
120.03806	0.7
123.00881	1.0
124.01668	0.9
125.02467	2.0
127.11308	1.8
129.01970	1.7
131.03568	1.0
137.60143	0.5
139.11298	0.9
143.03517	1.5
147.02985	1.1
149.04504	0.6
153.12877	4.0
155.14442	0.5
159.04486	0.7
161.04562	4.1
169.01425	1.5
174.42032	0.5
179.05609	2.4
181.12314	0.8
183.13853	0.6
199.13431	5.5
202.59587	0.5
207.13905	1.4
211.35506	0.5
225.15005	2.1
243.16034	1.0
329.23605	0.7
332.09045	0.9
345.19211	1.6
363.20313	1.4
387.20233	2.0
405.21289	100.0
406.10959	4.4
406.21658	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	406.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
58.02982	16.8
59.01382	38.9
67.37444	1.5
68.55839	1.1
71.01382	17.3
72.99314	2.7
73.02951	3.0
74.02483	31.2
75.00880	3.7
81.04607	2.3
82.02999	5.2
84.04536	2.2
85.02957	8.4
85.06476	1.2
85.64584	1.3
86.02485	12.0
86.06123	2.8
87.00903	3.1
87.05657	5.8
89.02450	8.3
89.63257	1.2
95.01431	1.7
95.02504	1.8
95.06163	1.2
96.04579	2.3
96.96021	5.9
97.02995	1.4
97.04095	4.1
99.00917	3.2
99.05651	27.2
101.02435	7.5
101.07216	4.7
102.05609	6.2
109.02953	1.6
109.04092	5.1
109.07719	3.3
111.05646	2.7
112.04058	4.1
113.02451	8.1
114.21816	1.2
115.00372	1.8
119.03528	3.9
123.04556	8.9
123.05617	2.8
125.02480	3.2
125.03556	4.1
126.04395	1.5
127.05149	6.5
128.03554	76.6
129.03854	1.3
133.01398	1.9
133.06940	19.6
135.05620	7.9
141.06729	4.4
143.04631	100.0
144.04977	3.3
145.06244	4.3
146.04585	11.6
149.06102	2.3
150.03229	1.6
151.04018	2.3
153.06720	5.4
155.08371	1.4
157.08731	5.7
161.04623	4.4
165.05566	5.7
165.78813	1.5
166.09914	5.2
167.04633	3.5
167.08235	7.6
169.01486	4.2
170.03293	2.1
171.04181	2.8
172.88980	1.3
179.04613	24.8
180.04990	1.7
181.06258	2.3
185.05670	3.9
192.07796	2.5
193.05101	2.0
197.05753	4.1
210.08844	22.5
211.09349	1.7
212.77893	1.3
228.10027	2.5
249.06248	5.4
254.07840	49.2
255.05110	14.1
267.07471	2.2
272.08890	51.5
273.09369	2.6
275.01917	2.5
277.12286	6.7
293.17249	1.4
300.99823	2.3
305.26584	1.4
308.07306	2.6
347.17151	4.6
388.15503	9.1
406.16635	54.3
407.06204	3.4
407.15598	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06532	0.5
57.03458	1.1
59.01383	28.8
69.05721	0.7
69.06120	3.3
69.90924	0.5
71.01387	6.7
72.99315	1.7
73.02970	0.9
75.00877	4.4
82.02953	0.7
83.01404	0.6
84.92426	0.6
85.02959	6.6
87.00883	24.2
87.04549	0.6
89.02458	2.8
93.03455	0.6
95.01395	2.1
95.05052	0.7
96.95998	0.6
99.00885	3.1
101.02444	1.9
108.02211	0.7
109.02944	1.0
113.02467	6.8
115.00382	1.8
117.01922	0.7
119.03519	0.9
121.02960	2.1
121.06609	0.9
122.03767	2.4
123.04537	100.0
124.04863	3.9
125.02451	2.5
129.01939	0.6
131.04990	0.8
133.01430	2.4
145.01399	0.7
147.04538	1.6
148.05302	0.9
149.02373	0.6
149.06097	27.7
150.03239	5.3
150.06470	0.9
151.04039	2.9
157.08710	15.6
164.04735	0.7
165.05574	19.2
166.05920	1.2
169.01433	4.2
172.26424	0.5
175.02591	0.9
175.03961	3.2
190.02745	0.9
193.05064	15.8
193.06740	0.9
194.05428	1.2
195.02994	22.9
196.03381	1.0
203.03682	0.6
217.06075	0.7
219.03011	4.3
229.01340	0.7
229.08725	0.9
231.05116	0.7
237.04063	3.7
244.04938	0.8
245.14146	0.8
247.09836	0.7
249.06146	6.7
255.05116	98.2
256.05441	5.7
257.00922	0.6
259.07211	1.7
274.01239	2.1
275.01987	4.2
281.03271	0.6
286.83908	0.6
287.10394	2.4
291.08734	1.0
300.99985	1.4
313.08279	3.7
331.09189	2.2
347.04175	2.7
347.17172	0.8
349.04105	0.6
371.04089	2.5
371.08963	0.6
375.08533	0.6
389.05280	1.5
399.74594	0.6
407.06256	49.0
407.15195	21.8
408.06543	6.7
408.16040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0986
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
55.01881	0.9
59.01384	23.6
67.01887	1.1
69.03465	0.7
69.12141	1.9
69.12547	0.8
71.01382	6.0
72.99301	0.7
73.02946	2.8
75.00889	0.8
78.44740	0.5
79.01900	1.1
81.03446	0.7
82.00571	0.5
83.01376	1.2
85.02962	3.3
87.00874	1.0
89.02462	1.2
93.03470	30.2
94.03786	0.6
95.01395	2.3
96.99299	0.5
97.02959	1.3
101.02453	3.9
107.01390	8.0
108.64707	0.5
111.00912	1.3
113.02456	3.2
121.02960	0.7
123.00897	16.2
123.04527	0.4
124.01691	9.0
125.02461	38.8
126.02792	1.7
127.39425	0.4
135.04549	0.5
136.98804	1.2
137.02466	1.0
139.00392	2.6
140.01173	2.0
141.01936	2.3
149.00938	1.2
149.02480	1.6
150.03300	2.2
151.00385	11.2
151.03915	0.5
161.04623	0.8
165.05588	3.2
167.03481	0.4
168.00670	2.8
169.01436	52.0
170.01746	2.1
171.10233	3.0
179.03635	0.5
187.07684	0.5
195.06647	1.1
211.02383	0.8
231.10275	0.6
253.03592	0.9
261.00449	0.5
313.02069	0.8
313.05676	13.3
313.09219	0.9
314.05914	1.0
319.06030	0.4
356.83795	0.5
359.15067	1.3
389.25562	1.0
407.09860	100.0
407.26373	2.5
408.10226	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07254	29.4
59.01374	91.3
73.49364	28.8
75.91481	29.7
91.98651	30.4
107.42672	32.5
153.31757	29.2
171.10217	100.0
227.12683	42.0
258.33344	36.3
355.34808	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.5
59.01386	22.5
69.03465	1.1
71.01385	6.1
73.02956	4.2
85.02965	5.1
85.06594	2.3
85.65990	0.8
87.00895	8.1
87.04534	2.3
87.26452	0.9
89.02454	2.9
93.03475	4.9
97.06569	2.6
101.02429	5.0
103.04007	1.0
105.03481	1.1
113.02478	2.4
115.07660	3.3
119.03519	1.5
121.02991	8.6
122.03774	13.9
123.08157	2.9
125.02454	2.7
132.02179	1.5
133.02966	1.1
135.08128	1.2
141.09210	1.2
144.07933	1.3
144.47482	1.0
145.02946	1.1
147.04503	1.1
149.02463	100.0
150.03253	86.2
151.03571	3.8
153.05435	1.5
153.09222	2.0
155.10803	0.9
163.04037	1.2
163.06061	2.1
164.04807	21.5
165.05589	94.4
166.05930	4.5
169.01424	3.1
169.12418	1.7
171.10272	11.2
180.04277	5.9
181.05087	4.6
182.05841	2.7
183.13936	1.6
187.07822	1.0
187.13405	2.3
193.08716	5.4
195.06648	50.7
196.07193	6.1
197.08205	4.4
203.12784	1.3
209.11900	1.8
211.09734	5.6
227.12929	3.8
229.05096	2.0
241.14577	0.9
244.07391	1.6
245.13841	2.7
303.21835	4.5
313.10904	1.6
315.12326	2.0
344.08783	1.5
344.12674	14.3
345.13159	1.8
354.05002	0.9
359.15042	83.3
360.15549	9.2
360.84256	0.8
365.18109	3.1
389.25461	17.5
390.25998	1.4
407.09567	2.7
407.19641	20.0
407.26492	43.7
408.20294	2.1
408.26810	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1844
Annotation	Abyssinone V
Peak:m/z	Relative Intensity
50.26587	32.7
57.67464	33.0
58.65815	48.3
59.92350	31.7
70.68525	54.0
89.02958	34.4
93.37318	35.8
121.02991	37.4
123.00941	52.4
125.02466	71.7
129.83298	36.1
139.23665	43.4
150.77698	37.0
169.01462	100.0
177.86688	37.0
194.96165	34.2
284.44662	34.4
298.73343	35.7
322.79935	44.0
407.18402	84.2
427.97229	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
57.03459	1.8
59.01386	73.5
60.81614	0.6
64.74103	0.7
69.23371	1.9
69.23777	2.3
71.01387	20.0
72.99344	0.8
73.02956	11.5
73.95337	0.7
75.00887	1.2
83.01406	5.9
85.02963	13.8
86.00134	2.2
87.00912	1.7
89.02466	1.5
95.01421	2.0
96.96056	3.1
99.00925	3.1
101.02454	25.2
101.03101	1.5
111.00905	1.7
113.02464	9.8
125.02502	1.5
137.02470	1.0
141.81372	0.7
147.03111	0.9
149.00851	0.8
157.12389	2.6
161.04608	2.7
171.10321	3.0
185.11945	1.6
187.07642	0.9
189.01947	1.6
203.12889	7.0
245.13646	0.8
253.09334	0.9
253.74847	0.7
259.99484	0.9
319.17725	1.0
347.17120	39.7
348.17276	4.3
365.18176	100.0
366.18539	9.3
407.19226	89.6
407.26047	3.5
408.19608	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	407.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	0.6
57.03453	11.4
58.00594	0.8
59.01384	18.0
69.03475	1.2
71.01391	2.9
71.05009	0.7
71.43738	0.6
73.02942	3.1
75.00877	0.8
81.07115	0.6
83.05009	0.6
85.02959	4.5
85.06591	3.9
86.62607	0.4
87.00882	14.1
87.04527	3.8
89.02451	3.1
93.03442	1.0
96.04689	0.4
97.06604	2.9
99.04536	0.6
99.08188	0.4
101.02428	2.1
102.31749	0.4
103.38884	0.4
105.33359	0.5
108.15529	0.4
109.06623	1.0
111.04578	0.5
111.08159	1.9
113.02457	1.5
113.09682	1.1
115.07652	4.2
119.03501	1.2
121.02977	2.0
122.03749	2.2
123.04462	0.5
123.08172	6.8
124.08489	0.6
125.02438	1.3
125.09759	0.9
127.11303	0.5
129.09235	0.5
131.03435	0.7
132.02205	0.4
135.08183	2.3
137.09709	1.8
139.11324	1.4
141.09218	4.2
143.10789	1.2
144.07942	2.9
147.04526	0.6
149.02451	17.3
149.09731	0.5
150.03236	15.8
151.03590	0.8
151.11351	1.0
153.09210	4.3
155.10832	2.0
161.04631	0.9
164.04784	3.4
165.05577	18.9
165.12869	1.0
166.05907	0.6
167.10768	0.8
169.01433	1.5
169.12321	2.1
171.10303	2.9
173.11848	1.2
180.04327	1.6
181.05109	1.2
183.13864	0.6
184.11043	1.2
187.13394	5.3
193.08720	0.8
195.06631	9.7
195.08278	0.7
196.07248	1.2
199.13405	0.5
205.07120	0.5
209.11903	0.7
211.09859	0.8
214.02669	1.0
216.13684	1.3
217.14458	3.3
227.12892	1.9
229.05051	1.7
231.15997	0.8
244.07494	1.5
245.13979	4.0
253.09343	0.6
254.06024	0.4
255.19635	1.1
267.19818	0.5
303.21802	11.8
304.22269	0.5
335.22180	0.4
343.24979	1.2
344.12912	2.0
347.17014	0.8
359.15027	15.8
360.15176	2.2
365.18048	1.1
389.25467	42.9
390.25812	5.5
407.09586	1.4
407.19980	5.6
407.26511	100.0
408.19141	0.6
408.21033	0.7
408.26846	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	408.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04337	0.3
59.01375	1.1
61.98833	1.2
63.22926	0.3
70.69190	0.4
71.01398	0.4
72.39469	0.4
79.36687	0.3
84.08179	0.5
85.02913	0.4
91.31703	0.3
91.63317	0.4
121.02910	0.4
123.04517	0.7
125.02484	0.6
130.08751	100.0
131.08301	0.6
131.09116	3.9
133.02946	0.6
136.93976	0.5
149.02393	0.6
150.03242	0.6
163.02580	0.4
165.05566	1.0
168.01547	0.7
169.01517	1.1
175.00377	0.7
191.01962	0.5
195.06633	0.4
202.99864	0.4
217.89566	0.4
246.94231	0.4
246.98808	0.4
252.92949	0.5
275.02090	0.8
276.10971	1.4
277.02185	1.3
300.99966	1.4
302.00275	0.5
304.10452	0.6
348.09479	1.7
391.53137	0.6
402.57919	0.4
408.01727	1.0
409.03705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.3
61.98505	5.0
61.98832	100.0
68.84195	2.5
95.11340	2.7
135.48953	2.5
153.53491	2.7
159.57664	2.3
159.81975	2.8
199.58319	2.5
298.04355	8.1
304.77866	3.0
309.97433	2.3
328.09076	5.7
386.79248	2.9
409.18787	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.4
60.99309	14.0
71.01388	1.9
88.98813	100.0
89.02518	1.4
98.22646	2.6
124.01678	3.5
125.02464	6.6
132.73257	1.3
147.76796	1.2
150.58258	1.3
159.10260	3.6
164.58521	1.2
168.00618	2.1
169.01408	6.4
193.01457	3.0
211.02513	10.8
232.37311	1.4
271.04605	17.9
281.36807	1.3
331.06781	1.8
336.03644	1.3
409.16922	2.9
410.11093	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	409.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53749	7.7
58.69179	7.9
59.01384	73.0
65.28864	7.3
71.01378	13.0
72.61381	6.8
72.99329	15.4
77.78896	6.6
78.64648	6.6
78.95914	33.5
85.02948	8.0
87.00903	15.4
96.96969	71.8
103.00399	100.0
111.00894	7.9
149.02452	7.4
150.03223	12.9
156.99072	12.5
165.05577	13.7
170.01300	9.8
197.66963	7.5
206.95578	8.6
216.03145	7.6
228.97610	10.3
246.98643	18.7
247.05872	9.6
258.31671	7.7
271.14490	9.0
339.10724	7.1
405.89346	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	409.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	50.0
67.98637	5.1
71.01389	5.6
71.25768	5.6
79.70733	4.7
86.57993	4.9
94.13078	4.8
103.00375	100.0
104.31711	4.5
113.02483	5.5
125.02464	6.7
137.02454	7.9
147.04535	5.2
165.05556	6.9
169.01537	5.7
174.87169	4.8
229.01363	14.3
233.04703	5.9
233.07330	6.0
247.02437	10.5
261.03992	8.3
275.02127	27.0
297.75198	4.8
299.99060	7.1
300.99982	54.0
306.98624	5.5
312.97821	5.2
319.97147	16.0
338.95432	39.0
345.96063	5.5
356.95523	5.5
376.39481	5.0
399.33035	5.0
409.07730	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42294	1.0
54.69432	1.1
57.03435	1.4
59.01384	26.9
69.13266	3.1
69.13676	4.3
71.01387	31.8
72.99315	7.5
74.99091	3.6
75.21114	1.2
85.02924	1.7
87.00867	3.8
87.04556	1.3
89.02430	1.8
90.40517	0.9
93.66486	1.1
95.01381	2.9
101.02431	2.2
109.02972	1.6
109.72626	1.3
113.02488	2.0
115.00385	30.5
121.02941	1.2
123.00851	3.0
123.04514	2.2
124.01688	9.1
125.02438	3.4
126.24854	1.2
133.01456	15.7
133.02979	1.6
134.03598	1.2
135.04489	1.6
145.05037	1.3
146.03745	5.7
147.04504	3.7
148.05289	2.4
149.06050	2.5
151.00403	2.2
151.04001	4.5
159.04498	2.3
159.32518	1.2
161.02487	2.5
161.06050	1.3
162.06827	1.7
163.07652	5.0
165.01945	2.3
168.00652	18.8
169.01396	3.6
172.05272	2.4
173.06056	2.8
174.03210	1.7
175.04037	3.0
175.06281	1.4
175.07661	15.1
176.04791	12.3
177.09221	33.4
178.09540	1.9
180.04321	1.6
187.07666	16.4
190.06363	3.0
199.07558	1.6
201.05560	3.5
201.09236	4.3
202.06432	9.2
203.07114	3.4
203.10823	1.1
205.08710	24.2
206.09081	1.6
213.09105	1.6
215.07109	1.2
218.05815	1.4
219.10301	11.5
229.08722	6.3
230.09219	1.3
231.10289	20.4
232.38857	1.1
247.09790	8.5
247.11916	1.3
249.11331	100.0
250.11743	8.0
275.09222	5.8
293.10327	58.4
293.13693	2.4
294.10608	5.7
371.09723	2.3
391.10046	1.5
409.07147	11.8
409.11642	2.4
409.19217	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	409.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44838	0.8
55.01896	1.4
57.03437	1.0
59.01385	48.1
60.01716	0.8
69.17250	5.2
69.44006	0.8
71.01389	35.5
72.99312	12.1
73.02948	3.1
75.00874	1.4
79.26003	1.0
83.01401	1.8
85.02954	5.8
87.00888	5.0
89.02443	4.7
91.67503	0.9
95.01377	1.3
97.06605	2.1
98.22633	1.8
99.00887	2.6
101.02450	7.7
109.02964	1.8
113.02505	6.1
115.00384	34.5
116.92854	1.6
118.73142	0.8
119.03512	2.1
123.04518	1.1
124.01659	1.3
125.02464	1.2
133.01443	23.0
134.01778	0.8
134.03760	2.3
135.04552	1.7
136.01691	0.8
137.28104	0.9
147.04504	2.6
148.05301	1.7
149.09830	0.9
159.03099	0.8
159.04454	2.4
161.02525	1.9
161.04579	4.8
161.05962	1.1
168.00682	2.1
169.01376	1.3
172.05336	1.8
173.06058	1.6
175.04037	1.7
175.07581	1.7
176.04803	18.6
177.09225	40.0
178.02634	1.0
178.09560	2.3
179.07146	1.7
187.04042	1.2
187.07657	17.9
190.06343	4.2
201.05638	2.4
201.09201	5.5
202.06348	8.3
203.07097	1.6
205.08710	33.9
206.09010	2.1
219.10303	4.7
229.08737	1.3
229.12517	0.9
229.14429	4.0
231.10307	9.2
249.11333	100.0
250.11688	8.7
259.15576	2.0
275.09262	2.2
280.21744	0.8
293.10300	20.4
294.10672	2.0
349.18954	1.5
349.94095	0.9
391.19647	1.7
409.06628	1.3
409.11713	1.7
409.20837	16.4
410.21295	1.4
410.34729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.0
60.51102	2.1
61.98851	3.3
71.01386	63.8
73.17191	2.4
79.95711	3.7
80.96526	3.0
87.00879	5.8
89.02458	12.0
95.04991	4.0
96.96011	2.9
97.06590	6.8
101.02443	5.1
104.07315	2.4
105.03437	3.2
113.02425	4.2
115.00376	40.8
115.04051	3.2
119.03471	2.8
121.02966	96.2
121.60149	2.2
122.03277	2.7
133.01453	21.4
133.02968	65.0
134.03763	100.0
135.04568	29.7
137.02495	13.1
139.04002	8.1
159.11829	14.9
169.01410	5.3
177.01942	58.7
178.02716	59.1
179.03474	25.5
196.94594	2.7
209.91167	2.6
217.40054	2.6
231.10278	10.6
232.73193	2.7
238.43620	2.8
247.09729	18.1
264.71671	2.6
275.09311	39.7
287.24536	2.5
293.07278	4.2
293.10349	55.1
294.10596	5.7
299.98935	3.3
301.00037	3.8
360.86734	2.8
388.14563	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58882	0.8
59.01383	100.0
60.01706	1.1
71.01378	2.2
71.43467	0.7
74.15314	0.8
80.88670	0.8
82.23086	0.8
85.02987	1.2
125.02497	1.1
142.40039	0.8
169.01367	1.0
191.21468	0.8
244.28514	0.8
337.13092	1.0
404.08524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.92268	1.4
69.07166	11.1
71.01388	29.6
72.99315	1.5
73.02979	4.1
73.44274	1.3
73.99785	1.4
83.01380	2.0
85.02956	8.2
87.00899	3.0
89.02450	35.7
95.01423	1.8
96.96053	3.9
99.00887	1.9
101.02463	21.1
107.01420	2.1
113.02457	15.4
119.03511	16.6
123.00908	2.0
124.01736	2.0
125.02448	5.3
131.03534	2.4
143.03520	3.4
161.04520	9.1
165.05602	1.9
166.24948	1.5
169.01407	8.1
179.05617	7.0
200.95093	1.8
232.03096	1.6
239.87578	1.6
241.00389	2.3
275.02023	2.7
300.99969	2.0
349.18814	13.2
392.53879	2.3
409.20953	17.8
410.10757	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
58.61002	0.8
59.01384	100.0
69.03451	4.0
71.01391	31.9
72.99307	1.2
73.02951	6.2
75.00871	1.2
83.01382	2.5
85.02956	8.1
87.00882	2.1
89.02454	30.9
89.03014	1.5
95.01395	1.9
96.96011	3.3
98.21864	1.9
99.00886	3.9
99.92606	3.1
100.93389	1.6
101.02445	23.1
103.83910	1.0
107.01395	1.3
109.02950	1.3
111.00885	0.9
113.02457	28.7
115.00370	2.4
115.92083	1.6
116.92861	1.9
119.03518	13.7
119.04936	1.3
123.04530	1.4
125.02470	3.3
131.03491	1.5
133.01436	1.9
135.04555	1.6
143.03520	3.2
145.02934	1.0
145.05080	9.3
149.02429	1.8
149.04576	1.1
150.03198	3.7
151.04004	2.2
153.01974	1.5
161.02466	1.3
161.04562	14.7
165.01947	1.4
165.05548	4.1
169.01469	3.3
171.74437	1.0
175.07619	3.8
179.05630	9.7
180.04340	1.0
187.07692	1.4
187.13361	4.5
195.06645	2.6
200.94977	5.8
205.08788	1.6
211.02390	1.3
219.10220	1.7
231.10265	2.6
241.00235	1.2
249.11342	7.0
271.04623	2.5
276.99954	1.5
293.10309	1.3
301.00092	1.3
303.01300	1.3
305.16046	3.2
307.04422	1.7
329.09167	1.2
333.06094	1.3
349.18738	36.7
350.19012	3.5
361.12753	1.1
365.08621	1.5
409.07449	2.9
409.20746	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59167	1.6
55.89698	1.5
57.03444	1.5
59.01386	100.0
69.03457	7.4
69.82864	4.7
71.01389	38.9
72.33752	1.2
72.99329	3.7
73.02959	4.5
75.00853	1.3
85.02951	10.0
87.00893	2.6
89.02459	28.4
93.03452	1.3
95.01421	2.1
96.40143	1.6
96.96017	13.3
101.02464	24.5
101.73238	1.3
107.01394	2.4
108.02206	1.7
108.22214	1.5
113.02459	59.8
113.82999	1.3
114.02790	2.6
115.00400	9.1
119.03503	12.7
121.02942	2.5
123.00912	6.5
123.04517	3.9
124.01663	5.5
125.02450	10.5
131.03525	1.5
133.01451	5.4
133.03017	2.3
135.04613	1.8
138.97046	1.6
143.03539	3.5
145.05067	23.1
146.03781	3.7
147.04460	1.4
149.02484	9.4
150.03229	3.4
151.00397	2.2
151.04039	6.5
159.10222	1.6
161.02489	2.2
161.04550	12.1
165.05595	2.4
168.00645	5.3
169.01440	11.3
175.07672	12.6
176.04755	2.8
179.05618	9.0
181.00085	1.4
187.07620	3.5
187.13461	3.9
190.06342	2.6
195.06682	2.1
201.09373	1.6
202.06364	1.9
203.06927	1.4
205.08681	5.5
211.02487	12.9
217.08833	1.8
219.10263	6.0
231.10229	10.4
241.00282	9.6
249.11359	16.0
250.11693	1.7
271.04623	26.0
287.09454	7.1
293.10355	3.4
349.18686	32.0
350.19104	3.6
361.13132	8.4
380.21243	1.4
408.12448	1.5
409.04834	2.1
409.16608	3.2
409.28265	1.8
410.10834	5.0
422.20633	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
61.08653	2.4
79.95736	5.4
80.91701	7.8
81.03471	3.4
83.63013	2.6
85.02968	2.2
95.05021	2.9
96.96038	10.6
97.02962	4.8
97.06592	3.6
99.92598	25.4
100.93382	5.6
103.55448	2.2
111.08140	2.1
115.92087	8.7
116.92894	7.0
152.99442	2.8
163.11296	3.3
165.12839	21.8
171.10294	7.1
179.10725	2.9
183.13791	2.8
193.08469	17.8
193.12202	4.0
205.12187	3.9
207.10022	18.6
211.13405	16.9
219.10110	6.1
221.11655	14.2
229.14468	12.0
231.10225	10.9
233.11623	100.0
233.13957	5.4
234.11967	9.9
249.10995	9.4
251.11488	44.1
252.11565	4.1
261.11185	25.5
279.11032	3.1
294.05768	11.4
304.65198	2.3
313.17899	7.4
327.21790	52.1
328.22171	4.1
331.18936	15.1
332.19388	3.3
349.19943	98.9
350.20105	9.5
374.11893	4.4
409.18930	13.6
410.14160	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	409.2365
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
62.77639	0.3
62.96407	0.4
70.65757	0.6
78.95913	75.4
96.96976	5.9
109.55503	0.3
143.63554	0.3
150.98074	1.9
152.99606	100.0
153.99956	1.8
155.67856	0.3
171.00685	2.4
255.23338	1.8
405.68063	0.3
409.23636	13.5
410.23947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07324	0.9
65.01115	0.9
66.88424	1.1
71.43895	1.3
71.92108	0.9
72.57327	0.9
95.61443	1.2
103.60123	1.0
153.69269	1.1
183.13936	18.1
184.14290	1.2
195.13921	24.2
196.14162	1.0
213.14980	100.0
214.15250	6.1
269.18063	1.2
364.99863	1.0
374.10168	1.1
409.29611	7.7
410.29712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
59.54732	0.4
60.99308	0.8
70.50075	0.4
70.50422	0.7
71.01385	1.8
77.46398	0.4
79.01904	0.5
85.02991	0.6
88.98816	3.1
89.02458	0.7
89.99139	0.6
95.01382	0.6
96.04578	0.6
101.02470	0.5
107.01410	4.0
111.00874	1.4
113.02461	0.6
123.00892	3.5
124.01668	14.4
125.02465	25.4
126.02823	0.8
136.98804	1.2
137.98686	0.4
139.00385	1.4
139.04051	0.7
140.01166	2.2
151.00385	1.7
157.67632	0.4
161.06122	0.4
165.01965	0.6
167.03474	1.2
168.00668	12.1
168.86809	0.4
169.01442	32.5
170.01767	1.2
183.03024	0.8
193.01419	0.5
211.02490	54.3
212.02888	2.7
229.65825	0.5
241.03516	1.9
271.04608	100.0
272.04962	5.8
277.38715	0.5
331.06747	8.1
332.07211	0.5
410.10941	6.0
411.11737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05336	20.3
57.47208	18.2
59.78139	23.0
61.98833	100.0
65.53009	17.9
77.79166	17.5
80.87736	19.3
82.10707	17.4
96.96006	20.8
99.92544	20.3
179.85187	20.5
214.26047	22.7
237.31326	19.1
244.59499	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00940	74.6
52.11097	73.7
56.98515	67.4
61.74865	72.9
66.85013	72.9
90.74366	77.9
97.85830	81.3
98.91829	77.1
110.46365	100.0
172.78015	73.2
182.11247	74.4
284.03326	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0242
Annotation	Turgorin
Peak:m/z	Relative Intensity
55.52948	0.5
59.01373	1.6
66.16348	0.5
70.47112	0.5
71.01396	3.1
73.02943	1.2
74.39985	0.4
78.65204	0.5
79.95744	2.7
80.96526	2.6
83.01428	0.6
85.02952	1.2
85.41392	0.4
87.00884	1.0
87.94852	0.5
96.96023	100.0
97.02998	0.7
99.00914	1.2
101.02464	0.9
112.53188	0.5
125.02467	15.4
126.02753	0.5
128.03503	0.9
129.01880	0.5
138.97090	10.4
143.03531	0.8
150.97078	0.8
164.98674	1.0
165.05540	0.9
168.98189	1.6
169.01442	26.6
170.01686	0.7
180.13873	0.5
180.98166	1.3
222.99236	1.5
241.00264	74.1
242.00623	2.5
266.35568	0.5
331.06747	2.9
367.03223	0.7
411.02429	50.1
411.09366	4.7
412.02826	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	411.0935
Annotation	Cibotiumbaroside A
Peak:m/z	Relative Intensity
55.01867	1.2
57.03467	0.5
57.96566	0.4
59.01124	0.5
59.01388	5.6
67.01894	1.3
69.03454	0.9
71.01390	6.2
72.99309	0.9
73.02947	3.5
75.00883	1.2
78.01112	0.6
79.01897	1.5
83.01394	1.3
85.02962	3.5
87.00883	1.0
89.02453	1.0
89.21725	0.4
90.41341	0.4
92.60348	0.4
95.01398	3.0
97.02944	1.9
98.21806	0.8
99.00878	1.2
101.02460	6.1
102.02753	0.4
102.38700	0.4
106.00645	0.5
107.01409	4.9
111.00878	2.6
113.02473	2.5
115.07702	0.4
123.00900	21.9
124.01682	17.0
124.02444	0.3
124.02604	0.6
125.02470	21.0
126.02833	0.4
127.00327	0.7
135.03030	4.1
136.91377	0.4
136.98788	1.1
139.00380	2.7
140.01189	2.9
141.01952	4.3
146.03716	0.6
151.00386	14.7
152.06483	0.4
153.01944	1.5
159.04572	0.5
161.04509	0.5
168.00673	4.6
169.01439	23.4
170.01759	0.5
173.06059	0.5
175.07646	1.7
176.04802	0.9
177.09218	2.5
178.09610	0.5
181.05054	0.5
187.07654	2.0
190.06343	0.6
201.09232	0.7
202.06367	1.3
205.08699	2.3
219.10251	1.6
231.10281	2.7
249.11356	6.2
250.11728	0.6
251.12090	0.4
271.04623	0.4
275.09332	2.8
293.10168	1.5
296.91879	0.5
313.05701	1.6
367.14474	0.4
381.11807	0.6
399.05377	0.5
411.09293	100.0
412.08905	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	411.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10727	26.0
59.01381	100.0
69.88451	50.3
71.01395	59.5
85.39610	22.1
89.02457	74.3
101.02463	30.3
113.02489	27.7
119.03487	44.1
145.02937	48.8
150.03256	40.9
161.02437	25.6
162.03192	42.8
165.05568	76.4
177.05583	31.2
179.05641	38.1
195.06688	35.6
215.71675	24.4
327.10779	33.6
357.12128	49.9
411.10477	65.5
412.11142	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79293	7.6
71.01395	5.7
79.95707	2.4
80.44934	2.1
80.96539	3.9
87.00892	2.5
93.83237	2.0
95.13115	2.3
96.96020	100.0
98.22577	3.3
111.43739	1.9
125.02446	16.9
138.97118	10.5
149.02472	7.3
150.03259	12.7
164.04790	3.4
165.05603	31.2
167.18684	2.0
169.01434	28.0
195.06631	10.2
200.46155	2.4
241.00240	64.8
242.00627	2.3
327.10910	11.7
331.06549	3.4
362.15646	2.6
411.02493	43.3
411.10550	5.6
412.02594	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	411.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01383	6.6
68.46527	0.4
71.01385	5.1
72.99315	1.3
73.02956	0.9
75.00878	0.6
79.95741	16.6
80.96525	11.9
83.01384	1.8
85.02955	2.9
87.00881	4.9
89.02444	2.3
94.98085	1.6
95.01385	0.6
95.95262	1.1
96.96020	79.6
99.00897	3.3
101.02447	4.1
111.00890	7.9
113.02472	2.1
119.03522	0.5
120.96024	1.4
127.00384	1.2
129.01958	4.4
135.03003	2.4
136.01741	0.4
136.95636	0.4
138.97086	4.9
150.97121	0.6
154.96562	0.9
159.03033	1.5
159.04497	0.3
160.03893	0.3
161.03526	1.8
166.96550	1.1
167.00160	0.7
169.01364	0.5
177.04068	0.5
180.98204	0.7
187.07645	1.1
192.98169	0.5
196.97568	0.3
202.06364	2.2
203.97285	0.4
204.50621	0.4
210.99113	1.2
231.10295	3.3
238.98692	9.5
241.00230	9.2
242.00626	0.5
249.11250	0.5
256.99750	24.2
257.99844	0.5
275.09302	0.8
293.10269	0.5
411.13242	100.0
412.13486	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	411.1663
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
59.01383	26.7
64.48154	1.0
69.03444	1.5
71.01026	1.4
71.01392	22.0
73.02946	3.0
73.26315	1.1
79.05540	2.2
81.03445	1.6
81.07076	1.1
81.89029	0.9
83.01386	3.5
83.05033	1.5
85.02955	2.8
89.02456	6.0
95.05064	1.6
98.22609	2.7
99.04527	18.8
101.02454	10.6
105.07130	1.9
106.04264	1.2
107.05029	2.5
109.06561	1.4
109.13437	1.4
111.00899	1.8
111.04524	9.0
113.02439	4.6
113.06116	1.7
115.28932	0.9
119.03526	1.6
125.02380	1.1
131.03577	1.2
133.06532	1.9
135.04503	3.1
135.08130	1.2
135.68549	1.0
137.06125	1.0
138.03079	0.9
147.11798	3.7
148.08981	2.5
159.11665	1.0
161.04596	1.0
161.12122	1.6
161.13374	17.5
163.07663	1.8
164.08420	1.0
173.13263	1.3
179.05617	1.6
185.09709	3.3
185.13359	6.5
187.11310	30.1
188.11565	1.8
191.14391	1.6
201.12837	3.9
203.10767	1.9
203.14445	6.0
205.12357	58.6
206.12732	2.9
219.13948	6.9
229.12352	22.5
230.12656	2.0
231.10202	1.5
245.12030	1.2
247.13419	16.6
249.11331	100.0
250.11676	9.6
256.17639	1.1
259.13351	2.8
273.11264	1.5
291.09338	1.8
291.12411	19.1
292.12680	2.1
321.13455	2.3
351.14502	12.6
352.14777	1.8
367.37576	1.3
382.15948	1.0
395.54431	1.1
411.03500	1.2
411.16498	7.0
412.16916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69641	2.5
59.01382	86.3
61.12934	2.5
71.01388	48.4
72.99300	3.1
73.02966	6.4
80.96512	13.2
81.07092	2.5
83.01376	3.6
85.02963	10.1
86.51643	2.6
87.00881	7.6
89.02461	42.6
95.01407	5.6
95.05060	5.7
96.96011	5.2
97.06628	5.9
99.04516	4.3
101.02453	20.7
105.03554	3.8
107.04998	3.4
113.02471	22.6
117.01969	14.7
119.03518	12.6
124.01687	6.0
125.02451	9.8
131.03564	3.8
133.02986	19.7
134.03763	57.9
135.03044	3.7
135.04572	20.2
137.02457	6.5
139.04076	3.3
143.03473	3.1
143.40523	2.7
151.04018	3.2
157.06602	3.7
161.13380	53.7
162.13724	3.1
169.01453	10.0
177.01924	26.5
178.02759	36.3
179.03468	12.4
179.05650	11.4
185.13455	5.6
187.11287	29.2
202.02521	2.6
205.12350	75.7
206.12791	5.9
211.13437	10.6
229.12303	13.7
231.10263	8.1
247.13297	4.2
249.11340	100.0
250.11702	8.6
263.12860	3.3
275.09201	20.5
293.10367	19.3
314.10196	3.8
393.12131	7.2
411.03571	4.2
411.16696	8.1
411.21802	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	411.2029
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
59.01384	100.0
60.01712	1.9
61.36205	0.5
62.78993	0.6
69.58385	1.2
69.58772	1.5
71.01385	9.4
73.02958	14.1
83.01410	2.1
85.02970	2.4
89.02454	4.6
96.96032	1.1
99.00900	0.6
101.02449	11.8
113.02440	7.6
117.02002	1.3
119.03519	0.8
125.02390	0.8
129.48265	0.6
131.03513	1.1
134.03760	2.2
135.03018	0.8
137.09753	3.6
151.04077	0.8
153.93314	0.6
161.04604	1.3
177.01978	0.8
178.02754	0.8
179.05701	0.8
189.12846	1.0
240.46523	0.6
268.45792	0.6
293.10483	1.3
411.13477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24888	1.7
57.21909	1.9
58.74468	1.6
59.01384	5.8
59.28600	1.6
67.93488	1.8
69.40195	7.7
80.91690	6.2
83.05017	3.2
84.02183	2.9
92.74681	1.8
98.22628	3.6
99.08188	2.2
99.92585	22.2
100.93384	2.8
115.92107	7.3
116.92887	2.2
128.55203	1.8
139.11316	6.2
141.09251	2.2
165.12849	21.2
166.82259	1.8
171.10297	8.4
174.26550	1.8
183.13931	2.5
193.08452	24.2
193.12228	2.7
205.12143	4.1
209.11700	2.2
211.13419	20.3
221.11639	6.7
223.11800	2.0
229.14449	13.3
231.10060	9.1
233.11627	100.0
234.11960	7.2
249.11324	12.5
251.11472	22.1
251.12669	23.5
252.11542	2.6
263.32718	2.1
294.05545	12.3
329.23370	50.8
330.23456	4.6
351.21542	70.6
352.21802	7.6
376.13440	5.5
392.88916	2.1
406.09009	1.8
411.22653	6.2
412.15628	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	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80337	39.6
59.01387	100.0
70.36662	83.9
74.24753	43.1
96.96030	69.5
116.92865	59.8
121.77247	40.2
133.64548	51.2
160.75339	44.5
224.10698	42.5
326.18860	54.1
340.61731	45.0
353.19864	87.5
435.37286	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	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46976	4.1
59.01385	100.0
69.89185	13.0
93.36903	4.1
96.95993	5.2
167.15230	5.0
226.39886	4.5
235.31007	4.6
288.81915	4.9
291.42984	5.0
297.56735	4.5
335.27795	4.8
348.73334	4.7
353.20172	7.8
378.46530	4.8
412.56085	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	412.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03486	0.5
59.01385	16.2
67.01894	1.1
67.47084	0.7
69.03468	0.6
69.22914	3.0
71.01386	7.9
78.64137	0.6
79.01910	1.5
81.03477	1.2
83.01405	1.3
85.02962	1.4
89.02447	4.5
95.01393	2.2
97.02982	0.7
101.02486	2.8
103.73279	0.6
107.01403	9.0
110.00243	0.5
111.00900	1.7
111.51837	0.7
113.02457	3.1
119.03543	0.6
122.99996	0.8
123.00900	15.8
124.01680	19.1
125.02466	41.4
126.02782	1.3
134.03732	0.9
136.09099	0.5
136.98836	2.0
138.03279	0.6
139.00357	3.0
139.04024	0.8
140.01157	2.7
141.01947	2.6
147.87923	0.5
151.00392	8.3
160.01567	0.5
162.03282	0.9
162.52094	0.5
165.01973	1.0
167.03508	1.7
168.00656	12.5
169.01442	53.3
170.00575	0.5
170.01775	3.1
175.04047	0.9
176.49098	0.5
177.05603	1.2
178.02718	0.7
191.26680	0.5
193.05090	1.5
211.02496	55.9
212.02887	3.2
241.03531	2.0
271.04630	60.4
272.04980	3.6
313.05679	2.2
331.06757	1.5
412.12537	100.0
413.12848	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	412.1247
Annotation	6-Amino-6-deoxyfutalosine
Peak:m/z	Relative Intensity
55.01871	0.6
57.03427	0.4
59.01381	3.8
67.01878	0.7
69.03465	0.5
69.23455	1.8
71.01385	5.8
72.99310	0.5
73.02955	2.0
74.76095	0.3
78.01104	0.4
79.01904	1.1
81.03460	0.4
83.01414	0.8
85.02962	2.8
87.00887	0.6
89.02450	0.9
95.01373	1.9
96.96033	1.1
97.02953	1.1
98.17736	0.3
99.00909	0.5
101.02448	3.0
107.01400	6.0
111.00879	1.5
113.02464	2.9
113.61964	0.3
119.05081	0.3
123.00905	15.7
124.01693	10.3
125.02462	28.8
126.02760	0.7
127.00371	0.4
133.44330	0.3
135.03006	0.5
136.98836	0.6
139.00397	2.4
140.01170	1.8
141.01970	3.1
151.00383	9.8
151.03973	0.4
153.01968	0.6
161.04602	1.0
167.03531	0.4
168.00662	2.9
169.01437	39.4
169.70969	0.3
170.01756	1.9
179.03615	0.4
206.09058	0.4
211.02498	2.2
219.10255	0.3
232.10704	0.4
239.29539	0.3
241.03566	0.7
250.11638	0.5
271.04596	1.2
313.05698	9.4
314.05994	0.5
385.11484	2.9
386.11868	0.5
412.12531	100.0
413.12842	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	412.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
59.01386	14.7
61.98842	3.1
67.01884	1.1
69.03436	1.0
69.41479	1.9
71.01392	7.1
72.99309	0.5
73.02935	0.8
79.01900	0.9
81.03478	0.4
82.00627	0.6
83.01407	0.7
85.02957	2.4
88.03894	0.4
89.02454	5.3
93.03473	0.9
95.01406	2.1
97.02976	0.9
99.54410	0.5
101.02459	3.5
107.01401	7.1
111.00878	2.0
113.02458	2.3
117.87926	0.5
119.03504	1.1
121.61697	0.4
123.00006	0.8
123.00900	14.3
123.01762	1.1
124.01672	15.0
125.02470	33.0
126.02798	1.3
127.00390	0.8
136.98833	1.2
137.02441	1.0
139.00394	2.6
139.04074	0.7
140.01170	3.5
141.01910	2.3
151.00381	7.7
153.01967	1.2
165.01962	0.7
167.03537	1.4
168.00668	9.7
169.01447	49.3
170.01797	2.5
175.04025	0.5
177.77858	0.6
179.03503	0.8
179.07425	0.5
181.05118	0.6
183.03061	0.8
207.03052	1.2
211.02507	47.0
211.65263	0.5
212.02818	2.6
241.03577	1.9
253.03300	0.5
255.04913	0.6
271.04630	48.4
272.04935	3.6
313.05606	2.0
331.06699	1.5
412.12531	100.0
413.12878	12.4
434.04114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.1
67.01876	0.5
69.03452	0.7
71.01385	5.5
73.02956	1.6
77.47610	0.6
79.01891	1.2
83.01431	0.9
85.02959	2.8
89.02475	0.8
93.03450	0.4
95.01402	2.4
95.05225	0.5
97.02969	1.3
99.00848	0.7
101.02464	3.7
107.01391	6.6
111.00887	0.9
113.02461	3.4
123.00902	16.3
124.01682	10.8
125.02460	33.3
126.02778	0.7
127.00480	0.5
136.98851	0.6
137.02492	1.0
139.00400	1.8
140.01213	2.2
141.01962	2.9
149.02452	0.8
151.00381	12.6
153.01974	1.0
161.04599	0.7
163.42886	0.5
167.03583	0.6
168.00642	4.5
169.01440	44.6
170.01797	2.0
179.03551	0.9
189.54195	0.5
211.02542	2.3
228.80028	0.6
241.03561	0.8
253.03719	0.9
271.04630	0.9
313.02032	1.1
313.05673	17.1
314.06161	1.0
385.11346	4.6
386.11475	0.5
412.12534	100.0
413.12872	10.9
430.57843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21917	1.8
59.01394	11.4
68.99831	2.4
70.22875	3.8
71.01385	8.4
78.95904	6.0
79.95734	4.3
80.96523	3.7
85.02943	5.6
89.02458	2.7
95.63200	1.7
96.96028	29.4
98.95622	2.4
101.02435	3.6
108.86691	2.0
111.00893	2.3
113.02481	5.4
119.05077	2.7
125.02390	2.6
129.01968	2.4
133.02904	4.9
152.99579	10.4
161.02496	12.8
169.01483	3.1
175.39384	2.2
183.26935	2.1
198.03239	3.0
214.02725	6.1
240.04309	11.2
241.05063	4.0
241.08749	3.0
242.02316	12.2
251.03310	2.8
256.73895	2.1
256.99771	6.9
258.00046	2.7
267.06622	2.5
269.08170	8.9
270.01715	5.3
284.03220	2.9
295.02380	2.8
295.05676	2.0
297.07706	13.2
298.01184	23.0
299.05334	2.4
311.02023	17.4
321.03949	2.9
323.01999	28.0
323.05533	2.2
325.03629	2.8
325.06985	9.4
326.00571	5.6
330.00104	4.6
339.05103	28.4
341.06699	35.6
369.06186	100.0
385.05521	2.3
412.13580	27.3
413.00015	3.6
413.05295	39.6
413.14468	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	412.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23362	18.0
57.41749	19.7
59.01378	90.4
69.29084	100.0
71.01388	61.0
81.23579	19.6
84.73010	24.6
89.02457	79.6
98.21893	38.8
101.02462	22.9
127.41852	23.9
149.52605	20.8
170.80052	26.8
225.22844	20.7
225.49582	21.2
396.16443	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17609	28.0
59.01373	100.0
61.24434	23.8
71.01376	61.3
71.43378	42.9
89.02435	84.9
101.02445	33.5
107.55377	27.4
113.02422	41.8
119.03480	29.2
127.44660	27.4
139.11714	24.2
179.05640	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	413.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
63.68369	0.4
65.00358	0.7
68.32587	0.5
71.01387	1.0
71.41694	0.5
71.76957	0.5
75.20214	0.5
85.02892	0.5
91.46072	0.5
95.01385	1.1
96.96001	1.3
111.00914	0.6
119.01355	0.6
121.10364	0.5
123.00932	2.0
124.01649	0.6
125.02459	1.4
139.94849	0.5
147.00850	1.5
158.03723	0.7
161.99564	1.0
163.00346	1.7
164.01207	0.7
169.01453	1.7
169.02899	0.6
170.03752	0.6
173.99586	0.6
177.01929	0.8
184.05301	1.6
189.01894	1.0
196.05067	0.5
197.05913	0.6
197.09764	0.8
198.03166	1.1
199.04062	0.6
201.01978	0.9
202.99838	3.2
206.99458	0.6
208.00252	1.2
209.06076	0.6
210.06969	0.6
211.04015	1.4
212.04837	1.4
213.01947	0.6
213.09256	4.0
214.02689	0.9
217.98567	3.2
223.03979	2.2
223.07639	1.0
224.04753	1.9
225.05388	0.8
225.09296	1.7
226.02864	1.3
227.03543	1.4
229.01431	1.9
232.00124	1.3
237.05571	0.6
238.02751	0.7
239.03513	1.6
240.04323	2.2
241.08687	2.2
242.02219	2.0
245.00908	1.9
245.98056	4.4
246.98869	3.3
251.03465	1.9
251.07156	1.6
251.12985	0.7
252.04295	1.7
253.05026	1.7
253.08778	1.5
254.02281	0.9
255.03032	1.2
256.03802	1.9
259.99655	2.9
265.05133	1.8
266.05759	1.3
267.03012	7.6
268.03827	8.4
269.00958	2.9
269.03842	0.8
269.08243	3.8
270.01569	0.7
273.00601	0.6
273.97653	2.7
279.06607	1.4
280.07422	0.7
281.01572	0.5
281.04926	2.8
281.08292	2.6
282.01923	1.3
282.05313	2.6
283.99710	1.6
285.00357	1.0
286.98230	0.9
295.02512	15.0
295.05585	0.5
296.03055	3.3
296.06604	1.0
297.00427	2.2
297.07703	27.3
298.01172	2.5
298.08200	2.9
301.03714	0.8
307.02579	1.2
307.05957	0.7
309.00552	1.1
309.04099	1.4
310.04764	0.9
311.02066	2.0
313.07053	0.9
314.97833	1.6
323.05591	1.7
325.07181	17.5
326.07663	1.5
337.61295	0.6
339.05008	2.5
341.06708	5.6
342.06985	0.8
369.06219	11.4
370.06509	0.9
413.05176	100.0
414.05466	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	413.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.3
59.01373	1.0
63.02404	10.3
65.00326	5.4
66.99234	0.4
68.43793	0.4
70.63597	0.8
71.01394	0.6
81.03485	0.5
82.00784	0.4
83.01389	6.7
102.39230	0.5
105.43549	0.4
107.01400	15.8
108.01727	0.7
112.95879	0.4
123.00912	0.9
124.01633	1.4
125.02461	15.3
126.02763	1.0
129.25317	0.6
131.05046	2.3
142.61404	0.4
147.04565	0.7
151.00386	42.1
152.00926	2.2
159.04546	5.0
169.01443	10.3
170.01793	0.9
175.04025	1.2
178.99879	100.0
180.00256	4.5
185.06064	0.6
187.04041	26.7
188.04521	2.2
189.01932	0.6
189.05557	1.0
204.04242	1.0
205.05099	5.9
207.02986	3.4
213.01907	1.2
215.03542	6.8
216.03929	0.9
231.02963	2.2
232.87617	0.6
233.04572	36.4
234.04903	2.6
241.01358	0.5
248.13004	0.5
259.02487	6.1
287.01990	12.3
288.02319	1.1
309.04013	0.5
351.04984	0.6
369.06094	0.9
377.03146	1.1
385.05737	1.7
395.04129	0.9
397.60526	4.4
398.10538	1.4
403.60648	1.3
413.05365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0519
Annotation	Kynapcin 24
Peak:m/z	Relative Intensity
59.01382	1.4
69.30121	1.0
69.30507	1.1
73.02977	0.4
89.37716	0.4
91.37991	0.4
111.00938	0.5
123.00893	1.2
124.76832	0.4
125.02470	1.3
147.00880	0.7
158.03757	0.5
161.02460	1.3
161.99586	0.8
163.00415	1.2
164.01184	0.5
169.01445	1.5
170.03754	1.1
173.02440	0.6
176.01170	0.7
177.01978	0.9
183.04486	0.7
184.05342	1.9
185.09741	0.7
186.03166	0.4
189.01952	1.8
195.04424	0.6
196.05370	0.7
197.09758	0.9
198.03267	0.6
200.01041	0.6
200.04666	0.5
201.01982	0.8
202.99884	1.4
206.99266	0.6
208.00063	0.7
209.05972	0.6
210.03317	0.9
211.04022	1.5
212.04778	1.4
213.01997	0.8
213.09196	3.8
214.02641	0.7
216.00604	0.5
217.01353	0.9
217.98582	2.0
223.04007	1.4
223.07542	0.8
224.04784	2.8
225.09277	1.2
226.02806	1.2
227.03438	1.0
228.00639	0.6
229.01431	1.6
237.05629	0.9
238.06407	0.6
239.03595	1.9
239.07104	0.6
240.04315	3.7
241.08792	1.4
242.02214	1.7
245.00928	5.0
245.98062	3.3
246.01132	0.5
246.98824	1.9
251.03548	2.2
251.07318	0.6
252.04242	2.7
253.05011	1.2
253.08737	1.4
254.02321	0.9
254.05923	0.9
255.03079	1.4
256.03796	0.7
259.99719	2.2
265.05096	1.8
266.05780	0.8
267.03024	9.2
268.03784	11.2
269.00977	3.1
269.03937	0.9
269.08267	3.0
270.01614	0.9
273.00446	0.6
273.97522	1.5
279.03033	0.6
279.06665	0.5
281.04602	1.9
281.07755	2.1
282.01599	1.5
282.05341	2.1
283.99683	2.8
285.00299	1.3
289.00000	1.0
294.01807	0.7
295.02524	23.3
296.03061	3.5
297.00525	5.2
297.07700	27.8
298.01163	3.1
298.04327	0.4
298.08124	2.7
307.02567	0.8
309.00433	0.9
309.03918	1.0
310.04581	0.5
311.02002	1.4
311.05386	0.8
313.07312	0.5
323.05621	2.3
325.07181	12.7
326.07535	1.6
337.11224	1.6
339.05057	2.5
341.06641	5.8
351.05341	0.7
367.04642	0.6
369.06192	15.5
370.06531	1.2
413.05167	100.0
414.05518	11.2
414.11172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17076	0.7
58.95026	0.7
59.01386	9.5
60.65224	0.6
71.01377	1.5
85.02967	0.6
85.51610	0.6
94.76965	0.5
101.02444	1.2
107.38907	0.6
119.01393	0.9
120.62461	0.6
121.36327	0.6
123.00871	1.1
124.01671	0.9
125.02460	1.3
132.02170	1.0
134.00134	1.6
139.04108	0.6
141.01682	1.0
141.03377	0.8
145.02893	0.6
147.00880	3.4
157.39914	0.6
158.03662	0.8
160.01636	2.2
161.02380	0.7
161.71819	0.7
161.99614	2.1
163.00352	1.4
165.05597	1.1
169.01411	1.2
169.02811	1.0
173.99594	0.9
175.00349	2.5
176.01146	0.8
183.04535	0.9
184.05344	0.8
185.02461	0.9
188.01100	1.0
189.99121	1.4
195.04373	1.0
197.02466	2.7
198.03223	1.5
202.02785	0.8
202.99875	10.5
204.00443	1.2
208.00156	0.9
211.04140	0.9
212.04823	0.7
213.09261	0.8
214.02737	1.2
216.00641	1.1
217.98582	5.9
223.04070	1.4
223.07620	0.9
224.04703	0.7
225.05510	1.2
226.02716	1.3
229.01585	1.4
232.00136	2.5
237.05522	1.2
239.03482	1.2
240.04221	2.5
241.08640	0.9
242.02148	0.9
244.00111	0.8
245.00952	1.6
245.98071	7.9
246.98863	18.6
247.99071	0.8
251.03572	2.0
251.07088	0.7
252.04247	1.3
252.07950	1.0
253.05057	4.2
253.08792	1.0
254.05635	1.3
259.99640	21.4
261.00040	2.3
264.04141	0.9
265.05035	4.6
266.05731	1.5
267.02963	2.1
268.03748	2.9
268.07285	1.1
269.00940	32.4
269.08295	2.9
270.01328	3.7
273.97589	5.1
279.06683	1.4
281.04565	2.6
281.08167	3.9
282.01770	1.1
282.05148	1.3
295.02554	12.2
296.03131	1.5
297.00555	0.9
297.04333	1.4
297.07629	7.3
307.02542	5.8
308.03217	2.3
309.04034	17.0
310.04642	3.1
323.05576	6.4
324.06021	0.9
325.07187	42.1
326.07541	5.0
337.11078	2.4
341.06799	6.4
369.01447	1.2
369.06174	21.4
370.06433	3.0
402.37476	0.7
413.05157	100.0
414.05460	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	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51574	0.3
55.01881	0.5
56.14003	0.3
58.00589	0.3
59.01387	10.6
62.66705	0.3
65.00339	0.4
67.01893	1.3
69.03465	0.7
69.13049	2.6
71.01392	5.1
78.86978	0.3
79.01885	1.6
80.83170	0.3
82.00593	0.5
83.01412	0.8
85.02958	1.8
89.02473	3.4
93.84211	0.4
95.01393	2.6
97.02979	1.1
98.22621	0.7
99.30965	0.3
101.02448	2.8
107.01408	4.2
110.00069	0.4
111.00905	2.4
113.02475	1.4
119.03490	0.8
123.00900	21.7
124.01683	17.7
125.02477	17.0
125.03173	0.2
127.00385	1.1
127.21983	0.4
135.04474	0.4
136.98804	1.3
139.00414	3.6
140.01192	3.3
141.01971	3.5
151.00391	13.1
152.00790	0.5
153.01973	1.7
154.99867	0.5
163.04047	0.5
167.03574	0.4
168.00648	6.3
169.01445	20.8
170.01746	0.8
176.48985	0.4
179.03627	0.5
211.02458	2.5
271.04660	2.5
313.05743	1.1
317.86465	0.4
342.74753	0.4
348.65924	0.4
413.14569	100.0
414.14883	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	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	98.1
58.03793	1.9
59.01382	100.0
61.12941	1.4
69.54559	6.5
71.01389	12.2
73.02937	4.2
83.01380	2.4
85.02947	6.6
96.05718	1.4
96.96029	2.0
98.22639	3.2
99.04527	88.6
100.04842	2.5
100.94211	1.7
101.02448	26.5
101.08032	1.4
102.54645	1.4
113.02457	5.5
125.02453	38.2
127.31415	1.5
148.39943	1.5
154.71898	1.4
161.04556	6.0
177.13838	1.3
191.79228	1.4
207.10294	1.6
269.10349	11.1
371.13046	1.4
397.33450	1.5
413.14502	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	413.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03451	1.2
59.01390	6.1
67.01891	0.9
69.03461	1.2
71.01394	6.4
72.99312	1.4
73.02954	1.7
75.00880	4.3
77.85878	0.4
78.95486	0.7
78.95908	5.9
79.01904	0.7
81.03436	0.5
82.00588	0.6
83.01376	1.2
84.80647	0.4
85.02956	4.0
87.00891	0.6
89.02454	1.5
95.01381	1.6
96.96017	1.2
96.97016	0.7
97.02978	1.1
99.00896	1.4
101.02461	4.4
107.01398	5.3
111.00901	1.6
113.02497	2.1
119.03596	0.6
123.00903	10.1
124.01688	7.6
125.02470	30.6
126.02769	1.0
129.01968	1.7
136.98796	0.9
139.00403	2.2
140.01144	2.4
141.01939	1.8
147.04546	1.7
151.00388	7.5
152.99622	6.0
159.02995	1.3
168.00676	3.1
169.01457	46.1
170.01801	1.4
177.04071	16.7
181.05322	0.6
211.02528	2.2
271.04691	1.1
329.05161	5.9
330.05539	0.6
381.13217	1.7
383.11951	0.5
413.14581	100.0
414.14911	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	413.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39285	1.0
55.01866	1.4
57.03174	2.3
57.03453	43.3
59.01384	57.4
61.24422	1.1
61.98836	1.5
69.55430	1.1
71.01385	17.0
72.99299	2.7
73.02949	4.3
79.95748	12.2
80.96528	15.5
83.01382	4.8
85.02952	8.7
87.00872	6.3
89.02466	7.3
93.03476	1.7
94.98105	1.5
95.01421	1.3
96.96021	63.7
98.22704	2.3
99.00886	4.4
99.04532	37.2
100.04942	1.2
101.02458	20.4
111.00885	9.2
113.02454	7.3
115.00375	1.7
119.03511	2.6
121.03009	2.0
125.02466	13.4
127.00359	2.1
129.01956	7.9
133.02969	2.0
137.02458	5.1
138.97105	3.3
143.03537	1.4
148.58008	1.3
151.04010	3.2
156.01131	1.1
159.03026	3.3
160.01659	1.7
161.02464	5.9
161.04559	4.8
169.01437	1.3
173.22691	1.3
175.04027	2.3
179.03371	1.1
189.12880	3.4
192.98111	1.4
208.07492	1.4
210.99214	1.4
233.11847	4.2
235.06192	1.9
238.98624	15.3
241.00281	8.5
242.02267	2.2
250.08368	2.4
256.99765	35.1
269.00861	3.3
269.10324	4.9
298.01199	2.8
311.02209	1.6
323.01920	2.7
325.07001	1.7
339.05069	4.6
341.06696	6.7
369.06189	15.1
370.06277	1.6
381.12033	2.9
413.05988	16.5
413.14828	100.0
414.05487	1.5
414.15109	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	413.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05605	1.0
55.01918	1.3
55.08697	1.3
57.81842	1.2
59.01384	13.9
62.63378	1.3
69.03444	1.8
69.80559	2.6
69.80923	2.4
71.01389	18.1
80.02677	2.0
83.01405	2.1
85.02961	2.3
87.00885	3.0
89.02472	3.4
95.01366	1.6
98.22674	1.6
99.00884	2.4
99.04528	46.9
101.02451	7.5
107.08689	1.7
107.10359	1.1
111.04543	1.5
113.02458	3.2
118.96637	3.4
119.03519	1.2
119.08682	1.2
125.02521	1.3
132.98233	4.6
140.98735	1.6
154.10880	1.1
156.98181	1.8
158.26164	1.1
160.97720	3.6
161.04601	1.7
163.07713	3.0
170.99817	6.6
172.97617	1.1
184.97670	1.2
186.99292	2.9
189.12889	19.7
198.99243	10.1
207.13939	29.3
207.15988	1.0
215.99586	2.9
226.98787	2.9
231.13867	12.9
233.11899	1.3
243.98863	1.6
246.98860	2.0
249.14845	1.2
251.12917	100.0
252.13237	9.0
259.01398	4.4
259.99686	2.0
269.00925	2.7
269.10706	2.1
275.12860	11.3
293.14001	2.7
295.02567	3.2
295.43195	1.4
297.07822	4.6
305.14108	1.8
314.97870	1.5
317.13718	1.4
323.14987	2.0
325.07199	4.6
341.06674	2.3
353.16135	10.5
367.36496	1.2
369.06122	3.4
413.05261	20.9
413.14948	10.0
414.05557	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03448	0.6
59.01385	100.0
60.01715	1.1
64.60693	0.3
69.39007	1.0
71.01392	3.8
73.02962	1.0
83.01396	0.7
85.02957	2.2
87.00899	0.6
89.02457	1.2
92.77821	0.3
95.01408	0.7
97.02946	0.4
98.22653	0.5
99.00893	0.5
101.02450	2.7
105.94216	0.2
113.02483	2.0
119.03526	0.5
123.00919	0.8
124.01655	0.8
125.02475	0.7
143.03545	0.3
151.00516	0.3
160.19818	0.2
161.04564	1.3
169.01466	0.8
207.16664	0.3
209.15558	0.9
248.99091	0.3
283.02161	0.3
332.40952	0.2
353.19827	0.9
361.59232	0.2
371.20834	4.0
372.21487	0.4
398.46268	0.3
413.05630	0.4
413.14569	4.1
413.20718	0.4
414.14615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.6
61.98831	37.5
120.01522	14.6
138.98611	13.8
171.10126	19.4
287.06293	14.6
295.06107	14.1
315.78430	13.8
341.23242	19.5
351.05066	100.0
354.91736	13.2
383.07767	20.1
414.05444	32.0
415.06183	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15475	11.8
52.27930	12.7
57.35833	14.2
59.01377	100.0
63.62635	14.2
69.17529	95.0
71.01386	73.0
75.92733	12.6
77.42162	14.4
89.02446	37.2
93.10057	15.9
96.96026	77.8
98.22717	26.8
101.02438	58.9
103.77431	15.4
113.02467	23.2
117.72036	15.6
119.03521	20.5
138.77826	15.6
161.04590	14.2
166.04912	15.5
168.66698	14.6
169.01453	16.1
170.52225	13.4
315.70810	14.9
354.78168	15.5
415.17783	89.3
415.23242	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	415.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87710	0.7
52.87956	0.6
52.97044	0.6
55.16565	0.6
59.01383	1.8
67.67189	0.6
69.46616	1.3
69.47021	2.3
71.01388	1.5
86.44495	0.6
89.02451	1.7
101.02474	0.8
105.01247	0.7
124.01704	1.6
125.02491	1.7
161.02487	1.5
161.81081	0.8
163.04013	0.7
169.01476	2.0
176.01149	1.9
176.03769	0.8
177.01939	3.0
183.04549	0.8
189.01872	1.0
190.02692	0.7
192.00656	1.0
193.01439	1.5
196.18272	0.8
201.05676	0.8
204.00652	0.8
205.01463	1.3
211.04097	0.9
214.02759	2.3
216.00467	0.7
217.01425	0.9
226.02718	1.3
227.03511	11.4
228.04411	1.4
229.01544	1.3
229.05103	1.8
230.02061	1.2
230.99388	3.1
232.00127	2.2
233.00946	6.8
239.07245	0.9
240.04349	1.7
241.05037	2.5
242.05750	0.9
243.06631	0.8
245.00949	9.6
245.03555	0.8
245.04535	1.1
246.01556	1.8
250.07014	0.7
253.01602	1.3
253.08698	1.0
254.02345	0.9
255.03050	5.3
255.06654	3.0
256.03769	1.5
256.07309	2.1
257.00876	0.9
257.04535	2.7
258.01535	1.0
267.02930	1.2
267.06494	0.8
269.01169	4.9
269.04303	5.0
270.05313	1.6
271.02524	5.3
271.05673	1.1
273.00430	0.9
273.04156	1.8
280.31958	0.7
281.00970	2.3
281.04590	1.1
282.01767	1.1
283.02618	2.5
283.06180	3.6
283.99847	1.2
284.03217	0.9
284.06915	3.0
285.00473	6.5
285.07407	0.7
295.02454	3.3
296.03259	2.1
297.00558	1.6
297.04099	1.7
297.07452	1.3
298.01212	1.7
298.04584	1.0
299.01971	10.3
299.05637	3.9
299.09302	3.2
300.02328	1.2
301.03525	8.8
302.04333	1.4
309.04218	1.0
310.00992	0.8
310.04791	0.7
311.02084	2.4
312.02505	0.9
313.03494	1.8
318.09998	0.7
323.99179	1.5
324.02814	1.6
324.99973	1.3
325.03558	5.5
325.07220	1.5
326.04007	1.1
327.01627	1.1
327.05121	3.1
327.08765	6.5
328.05563	1.5
343.08334	1.8
353.03088	5.6
353.06760	5.1
371.07739	29.2
372.08041	4.2
373.79333	0.9
397.05646	16.3
398.06076	2.0
415.06757	100.0
416.07047	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	415.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
69.03458	0.5
69.28877	2.8
71.01390	1.9
73.02949	0.7
83.93119	0.5
85.02927	0.6
89.02444	1.2
93.38598	0.5
93.99242	0.4
96.95999	0.5
98.95600	0.8
101.02431	0.9
111.94569	0.4
113.02466	0.6
119.03513	0.5
122.34760	0.5
123.00936	0.6
125.02449	0.7
133.02977	0.6
137.02420	0.5
148.01695	0.4
161.04568	0.5
163.04045	0.5
176.01143	1.8
177.01910	0.7
183.04521	0.7
185.06090	0.7
189.01981	1.8
190.02621	0.5
196.05347	0.6
198.03322	0.5
199.03975	0.7
201.01907	0.9
203.03487	0.7
211.04045	1.5
213.01965	0.6
214.02737	1.8
215.03659	0.6
217.01488	1.0
225.05653	0.6
226.02698	1.5
227.03526	10.8
227.07108	0.9
228.04047	1.1
229.01460	1.3
229.05083	0.9
230.02138	1.2
230.99323	2.5
232.00156	3.1
233.00880	0.8
239.03575	0.8
239.07156	0.7
240.04306	2.0
241.05066	2.2
242.02351	1.0
242.05760	1.2
243.02986	0.7
243.06691	1.2
245.00929	10.6
246.01622	1.7
251.03528	0.6
253.01411	1.6
254.02106	1.2
255.03076	4.7
255.06694	4.1
256.03653	2.1
256.07404	1.2
257.00894	0.9
257.04599	2.2
257.08130	0.8
258.01767	0.7
265.05008	0.6
267.02933	0.8
267.06683	0.6
268.03796	0.6
269.01282	3.6
269.04419	5.1
269.07370	0.7
270.01678	0.9
270.05139	1.6
271.02487	5.4
271.06091	1.5
271.09525	0.9
272.02911	0.6
273.00766	0.5
273.04001	1.2
281.00998	1.1
281.04446	0.6
282.01721	1.0
283.02478	1.9
283.06186	5.0
283.09186	0.8
284.06952	3.5
285.00443	6.3
285.03860	0.7
285.07343	0.6
295.02621	2.7
295.99850	0.6
296.03265	1.7
297.00650	0.9
297.04010	2.5
297.07602	1.3
298.01324	1.2
298.04849	1.0
299.01971	8.9
299.05615	3.3
299.09265	3.1
300.02631	1.0
300.06247	1.1
301.03528	4.0
301.07095	1.4
302.04169	0.8
309.04327	0.7
309.07755	0.6
310.04724	1.0
311.02170	0.8
311.05432	1.1
313.03540	2.1
314.04187	0.8
315.08789	1.2
324.99960	0.6
325.03473	2.1
325.07254	1.4
327.01486	0.9
327.05109	3.0
327.08780	7.4
328.05759	1.2
328.09204	0.9
343.08221	1.6
353.02905	1.8
353.06763	3.7
371.07736	34.5
372.08197	4.0
397.05679	6.4
398.06119	0.6
415.06732	100.0
416.07092	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25381	0.4
57.03458	0.7
58.57807	0.5
59.01388	6.7
67.01891	0.9
69.32374	2.4
71.01389	5.5
73.02944	1.5
77.73193	0.5
78.01093	0.6
79.01884	1.1
82.00611	0.8
83.01395	1.1
83.05023	0.8
84.65530	0.5
85.02966	2.6
86.00082	0.5
89.02461	1.9
89.76675	0.5
92.39481	0.5
95.01425	2.4
96.96033	1.1
97.02953	1.1
97.06520	0.5
98.55573	0.4
101.02444	2.7
106.04259	2.4
106.60857	0.5
107.01415	4.1
107.05025	2.3
111.00899	2.1
113.02467	2.1
117.03452	0.6
122.99998	0.9
123.00903	16.7
123.04517	0.8
124.01677	12.9
125.02463	17.7
127.00377	1.0
133.01450	0.9
133.02995	1.2
133.06586	1.4
134.03770	5.3
135.04550	0.8
136.98798	0.9
139.00365	3.0
140.01172	2.3
141.01968	2.9
145.03027	0.6
146.03748	0.8
149.06099	37.9
150.06448	1.7
151.00391	8.8
152.00789	0.5
153.01990	1.4
161.04585	1.4
163.04005	0.5
164.04797	0.6
168.00626	3.8
169.01442	19.6
177.04140	1.0
177.05603	2.5
179.03477	0.6
179.07127	0.8
193.05174	0.7
203.03561	0.8
211.02513	4.2
247.02328	0.7
271.04605	3.3
289.91403	0.6
300.99927	1.4
311.11264	2.8
313.05685	1.1
341.08881	1.7
355.10382	0.8
378.54324	0.8
415.12479	100.0
416.12833	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	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03450	0.7
59.01383	4.7
67.01899	0.8
67.67812	0.4
68.69086	0.4
69.03463	0.8
69.20699	1.3
69.21111	0.8
71.01392	8.0
72.99306	0.4
73.02949	3.1
78.01120	0.6
79.01913	1.9
79.95727	1.4
81.03490	0.5
83.01391	2.1
85.02960	5.5
86.00093	0.7
87.00877	1.1
89.02428	0.6
91.33186	0.4
95.01400	2.4
96.96013	4.7
97.02954	1.5
98.21889	0.9
99.00872	0.8
101.02458	6.3
107.01407	6.3
108.02203	0.5
109.02939	1.1
111.00848	2.1
113.02447	4.1
118.98086	0.4
123.00898	22.8
123.04492	0.5
124.01683	13.2
125.02465	24.4
126.02794	0.9
127.00371	0.8
128.47769	0.4
135.58571	0.4
136.98811	1.0
137.02422	2.2
138.03281	0.7
139.00388	3.5
139.03954	0.9
140.01205	2.8
141.01955	4.2
149.06068	0.6
150.06848	0.6
151.00385	14.4
151.04051	0.5
152.01079	0.6
153.01941	1.3
159.97585	1.5
161.02477	0.4
161.04568	1.2
163.04048	0.8
166.99812	0.4
168.00645	4.6
169.01439	28.8
170.01855	1.2
181.04994	0.5
194.09488	1.2
209.11844	1.6
211.02461	0.9
221.01294	5.3
221.51451	0.7
253.03635	0.6
313.05676	2.6
379.01929	0.4
415.12476	100.0
416.12836	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73440	0.5
58.18191	0.6
59.01375	9.9
62.64975	0.4
66.39776	0.5
67.01896	0.5
68.68359	0.5
69.35097	2.5
71.01382	4.6
73.02937	0.6
83.01393	0.8
85.02953	1.7
89.02451	1.8
92.33312	0.4
95.01413	1.5
97.02964	0.7
101.02460	1.8
107.01404	4.3
109.02972	0.7
111.00899	1.6
113.02467	1.4
123.00888	7.2
124.01674	15.0
125.02461	26.3
126.02770	0.9
126.34158	0.4
127.00342	0.7
135.04579	1.0
136.98827	1.2
137.02487	1.1
139.00410	1.6
139.03969	0.9
140.01176	2.6
141.01965	1.2
146.03772	2.1
151.00386	3.9
151.04031	0.7
152.01161	0.5
164.01154	0.9
164.04860	1.3
165.01939	2.1
167.03543	1.5
168.00653	12.3
169.01431	36.6
170.01782	1.5
179.07123	3.7
183.02995	0.8
193.01364	0.6
207.02974	1.0
208.00114	1.4
208.03482	0.5
211.02487	57.1
212.02792	3.2
236.05754	0.6
241.03557	1.8
271.04605	100.0
272.04956	6.0
327.08463	0.6
331.06711	11.5
332.07028	0.6
339.07043	0.7
371.07578	1.9
378.54492	1.2
415.06830	2.8
415.12411	19.0
416.12753	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1249
Annotation	Alpinoside
Peak:m/z	Relative Intensity
55.06381	0.3
57.03450	7.7
58.03785	0.3
59.01383	1.7
65.00327	0.4
69.18126	1.4
71.01398	1.1
73.02952	0.8
81.03461	3.0
83.01392	2.2
83.05037	3.9
85.02967	0.4
87.00864	0.3
89.02468	0.3
97.02962	0.3
99.04527	0.5
101.02451	0.9
101.06023	0.3
105.07105	0.3
107.01432	0.4
107.17628	0.2
113.02472	0.2
114.64645	0.2
123.08152	1.8
125.02461	100.0
125.06085	14.2
126.02798	3.5
126.06454	0.6
139.03964	0.4
143.07161	0.5
145.05089	0.4
149.02457	6.4
151.00401	0.6
159.76646	0.2
161.04585	0.6
167.07155	0.4
169.01431	0.6
179.03566	0.6
181.30145	0.3
191.03545	0.5
196.50696	0.3
209.08089	0.3
217.96417	0.3
235.06157	0.4
253.07198	57.5
254.07520	3.9
277.07098	1.5
283.11877	0.8
287.07990	0.3
339.06985	0.3
415.06976	0.5
415.12436	2.7
415.17026	1.1
416.12253	0.3
416.17371	0.3
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	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01881	0.8
57.03454	0.7
58.00599	1.3
59.01383	89.1
59.56404	0.5
60.01713	1.1
69.03471	0.8
69.84483	1.8
71.01388	56.4
72.01744	0.9
72.99308	1.2
73.02953	18.9
81.03471	0.6
83.01392	1.4
83.69467	0.5
85.02967	6.8
87.00916	1.0
89.02453	100.0
90.02765	1.7
95.01394	1.8
97.02968	1.6
98.22591	0.9
99.00889	32.8
100.01230	0.8
101.02451	34.2
107.01363	0.7
113.02460	11.4
114.02766	0.7
115.04059	0.8
119.03518	6.4
123.00913	0.6
125.02476	6.2
131.03516	17.2
143.03497	2.2
149.04567	59.0
150.04887	1.7
161.04596	3.5
169.01404	2.2
176.16028	0.6
179.05589	2.2
187.68564	0.5
191.05638	13.9
221.06615	1.9
251.07683	3.6
258.75488	0.6
261.10428	0.5
280.89413	0.5
311.09656	0.7
315.06140	1.4
415.16455	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	415.1616
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01873	0.5
55.51046	0.2
57.03455	0.4
59.01382	5.1
66.11485	0.2
67.01889	0.9
67.48743	0.2
68.99809	0.3
69.03449	1.0
69.35248	0.4
69.35541	1.2
71.01390	3.6
72.99307	0.4
73.02956	2.0
78.01107	0.4
79.01898	1.3
81.03472	0.2
82.00612	0.5
82.08815	0.2
83.01371	1.5
85.02968	3.1
86.00092	0.8
87.00896	0.5
89.02444	0.7
95.01397	2.7
97.02965	1.0
99.00883	0.7
101.02453	4.2
101.77091	0.2
107.01398	3.8
107.65355	0.2
109.03035	0.3
110.00101	0.4
111.00889	2.5
113.02461	2.0
119.03437	0.3
123.00900	20.8
124.01688	14.5
125.02468	16.8
126.02782	0.5
127.00423	0.9
131.71907	0.2
133.64825	0.2
136.98828	1.3
137.02434	0.4
139.00385	3.6
140.01192	3.5
141.01953	3.6
151.00385	13.6
152.00771	0.4
153.01965	0.8
154.99821	0.2
157.08701	0.4
158.86980	0.2
161.04572	0.3
163.04012	0.3
163.90707	0.2
168.00668	5.1
169.01442	18.6
170.01823	0.7
179.03514	0.3
181.05164	0.5
223.02475	0.2
243.15773	0.3
254.03799	0.3
313.05710	0.9
415.16110	100.0
416.16455	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	415.1979
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.42476	0.4
55.01882	1.5
57.03448	1.6
58.00605	1.3
59.01386	100.0
60.01718	1.0
69.03468	1.3
69.31749	2.5
71.01389	47.0
71.83195	0.4
72.01730	1.1
72.99317	1.1
73.02956	68.7
74.03285	0.8
75.00871	0.8
81.03452	0.7
83.01399	16.5
83.01901	0.8
84.01707	0.5
84.02190	0.6
85.02460	0.9
85.02960	11.6
87.00879	2.0
87.04521	0.6
89.02457	31.9
95.01390	2.8
97.02934	0.9
98.22704	0.8
99.00874	2.6
99.04541	0.8
101.02458	52.4
102.02763	1.3
107.01446	0.4
109.69030	0.6
113.02467	18.0
113.03262	1.0
114.02805	0.5
115.69894	0.4
119.03522	10.9
125.02451	2.8
131.03535	3.9
132.07071	0.5
143.03542	3.2
145.01385	1.4
149.04553	3.2
155.03502	1.6
159.03006	0.8
161.04581	8.9
168.00682	0.6
174.11452	0.4
179.05627	2.6
193.12357	6.0
194.12642	0.7
211.13364	0.7
299.01746	0.6
345.18991	0.6
355.17334	1.7
371.07388	1.3
373.18723	6.9
374.18524	0.6
383.03760	0.6
415.06686	4.2
415.19412	11.9
416.19608	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	415.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01281	0.5
62.53733	0.5
69.07840	2.0
69.08272	2.0
74.99104	6.4
77.00672	77.5
84.05074	0.7
84.39838	0.6
141.40176	0.6
147.08240	1.5
149.09731	1.2
149.71207	0.6
154.34499	0.5
163.11282	2.1
181.37810	0.5
183.09372	0.7
187.11256	2.2
193.07387	0.6
265.12570	0.7
265.75479	0.6
279.14133	0.8
280.14700	1.6
297.77737	0.6
309.22314	2.2
329.44437	0.6
337.21759	100.0
338.22089	11.3
415.23221	10.6
416.23438	1.9
422.41797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03445	1.8
59.01385	100.0
60.01719	1.5
67.31306	0.8
67.94869	0.7
69.61060	0.7
71.01390	20.3
73.02954	3.4
78.15204	0.8
83.01376	2.1
85.02959	6.9
89.01937	1.5
89.02454	18.8
95.01372	1.5
96.96043	1.2
98.49248	0.7
99.00816	1.0
101.02451	11.6
110.00878	0.8
113.02473	8.2
114.87498	0.8
119.03509	8.8
123.00868	1.2
123.26105	0.9
125.02422	1.6
131.03519	1.3
141.80818	0.8
143.03479	1.7
151.00317	1.2
161.04562	3.3
169.01483	1.4
179.05644	1.2
201.81583	0.8
245.00987	1.3
262.47800	0.9
371.07639	3.6
415.06876	9.8
415.11844	1.3
415.16315	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34327	0.3
52.20018	0.5
55.01890	1.6
57.03452	2.5
58.00600	1.5
59.01385	100.0
59.38405	0.4
60.01714	0.9
60.22108	0.4
69.03458	0.7
69.08527	1.0
69.08945	2.0
71.01389	55.9
72.01734	0.9
72.99300	1.2
73.02944	4.3
77.38615	0.4
81.03442	0.8
83.01385	2.3
83.05019	0.4
83.24136	0.4
84.02140	0.4
85.02953	11.8
87.00887	1.8
87.86908	0.4
89.02454	60.3
90.02764	0.8
91.01928	0.4
95.01408	4.0
97.02966	0.5
99.00870	1.1
99.04515	0.5
101.02453	29.3
102.02782	1.0
113.02464	21.0
114.02776	0.7
119.03515	24.2
120.03826	0.7
123.00932	0.6
124.01680	1.0
125.02407	1.4
131.03487	2.7
143.03484	2.9
147.00873	1.9
149.04526	1.6
159.03040	0.5
161.04584	4.9
169.01408	0.5
175.00317	1.2
179.05609	4.9
202.99875	3.8
221.09412	0.4
232.00052	0.5
245.00839	0.9
246.96658	0.5
246.98849	7.4
269.00821	0.5
274.01218	0.7
371.07532	2.1
415.06818	11.0
415.15701	3.4
415.23682	2.0
416.06619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03447	0.8
59.01385	100.0
59.08525	0.7
70.87888	0.9
71.01382	10.4
71.63862	0.8
73.02958	2.5
85.02976	2.6
89.02451	8.9
95.01370	1.1
101.02448	6.3
109.62234	0.7
113.02448	4.7
119.03542	3.8
121.36906	0.7
125.02495	1.1
126.44946	0.7
144.88768	0.7
161.04608	2.8
217.88678	0.7
307.06635	0.8
371.07938	1.7
415.06760	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	416.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49671	20.9
50.52467	18.5
56.13886	17.8
59.01380	34.9
63.15588	19.7
69.44791	100.0
71.01398	28.9
89.53235	25.2
98.21867	40.8
113.02468	24.1
160.59724	21.0
416.06934	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01380	3.2
63.02409	1.6
65.00317	3.1
69.77263	3.0
70.98123	0.8
71.01387	3.4
73.02927	1.5
78.95907	3.2
79.95744	2.9
83.01402	3.2
85.02946	1.5
93.03473	1.0
95.01408	2.1
96.96021	100.0
96.96906	5.1
97.95958	1.0
101.02435	2.0
107.01406	5.0
109.02950	2.4
111.00918	1.0
113.02472	1.5
121.02969	1.4
123.00896	9.0
124.01673	5.9
125.02461	23.6
137.02457	2.9
139.00331	1.3
139.04019	1.5
140.01201	1.3
141.01978	1.6
147.00899	1.8
148.05405	1.3
149.35963	0.8
151.00395	13.6
152.01134	1.7
153.01965	5.8
163.00372	3.8
164.98761	2.4
165.02005	2.8
166.06378	3.6
167.03468	1.4
168.00685	2.5
169.01465	11.8
175.00389	8.1
177.01936	3.0
177.03307	0.9
178.99886	6.5
180.98175	1.3
181.08723	4.5
191.03523	3.6
193.01436	38.5
194.01697	2.0
194.99753	2.4
208.97635	2.5
215.00229	1.5
215.03566	1.9
224.00035	1.5
226.98769	1.3
233.04605	1.5
234.95644	16.3
235.96408	1.0
249.94383	6.1
250.98698	2.2
257.01263	0.9
257.04614	2.5
259.02808	0.9
261.00909	1.5
262.98666	1.3
272.97311	1.4
274.98654	1.0
276.96692	28.9
277.97479	1.0
283.02585	1.2
289.00455	3.0
301.00504	1.9
301.03632	5.4
303.01990	1.1
309.96503	2.8
313.00381	2.8
313.05804	1.3
314.98221	4.8
316.99649	1.3
319.04630	7.6
328.99915	3.1
338.98178	1.1
355.01563	5.3
356.99234	18.0
357.99500	1.4
375.00369	1.2
399.00305	5.2
417.01419	6.6
417.14087	51.6
418.14478	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01380	3.2
63.02409	1.6
65.00317	3.1
69.77263	3.0
70.98123	0.8
71.01387	3.4
73.02927	1.5
78.95907	3.2
79.95744	2.9
83.01402	3.2
85.02946	1.5
93.03473	1.0
95.01408	2.1
96.96021	100.0
96.96906	5.1
97.95958	1.0
101.02435	2.0
107.01406	5.0
109.02950	2.4
111.00918	1.0
113.02472	1.5
121.02969	1.4
123.00896	9.0
124.01673	5.9
125.02461	23.6
137.02457	2.9
139.00331	1.3
139.04019	1.5
140.01201	1.3
141.01978	1.6
147.00899	1.8
148.05405	1.3
149.35963	0.8
151.00395	13.6
152.01134	1.7
153.01965	5.8
163.00372	3.8
164.98761	2.4
165.02005	2.8
166.06378	3.6
167.03468	1.4
168.00685	2.5
169.01465	11.8
175.00389	8.1
177.01936	3.0
177.03307	0.9
178.99886	6.5
180.98175	1.3
181.08723	4.5
191.03523	3.6
193.01436	38.5
194.01697	2.0
194.99753	2.4
208.97635	2.5
215.00229	1.5
215.03566	1.9
224.00035	1.5
226.98769	1.3
233.04605	1.5
234.95644	16.3
235.96408	1.0
249.94383	6.1
250.98698	2.2
257.01263	0.9
257.04614	2.5
259.02808	0.9
261.00909	1.5
262.98666	1.3
272.97311	1.4
274.98654	1.0
276.96692	28.9
277.97479	1.0
283.02585	1.2
289.00455	3.0
301.00504	1.9
301.03632	5.4
303.01990	1.1
309.96503	2.8
313.00381	2.8
313.05804	1.3
314.98221	4.8
316.99649	1.3
319.04630	7.6
328.99915	3.1
338.98178	1.1
355.01563	5.3
356.99234	18.0
357.99500	1.4
375.00369	1.2
399.00305	5.2
417.01419	6.6
417.14087	51.6
418.14478	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03468	1.0
59.01384	64.3
71.01385	19.0
73.02956	4.8
74.72211	0.9
79.01903	1.7
83.01417	2.2
85.02962	6.9
87.00900	1.5
89.02444	13.1
95.01418	3.4
97.02988	1.7
99.00906	2.1
101.02450	10.9
104.94930	0.8
107.01405	4.1
107.87611	0.9
111.00898	1.7
113.02472	8.0
119.03516	5.2
123.00891	19.0
123.01744	1.0
123.04636	1.1
124.01676	14.7
125.02466	15.0
125.03327	1.4
136.50873	0.8
136.98798	1.1
139.00385	2.9
140.01175	2.8
141.01982	2.3
143.03500	1.3
145.02954	1.2
147.04524	1.3
149.04453	1.0
151.00388	12.1
152.00836	0.9
159.03081	1.0
160.01651	1.1
161.02496	1.3
161.04587	9.7
163.04068	1.2
164.01241	0.9
168.00677	3.2
169.01442	22.6
170.01738	2.0
173.02461	2.7
175.04008	1.8
177.02036	3.1
177.09259	3.9
179.05669	2.1
188.01199	2.0
189.02029	2.3
190.02728	1.6
191.03506	3.4
192.00616	1.0
201.01942	2.4
205.01480	3.6
206.02205	1.5
207.03036	2.4
211.02484	1.3
216.00604	1.8
216.10405	0.9
217.01443	9.4
218.01924	1.4
219.03032	3.3
229.01456	1.7
233.00993	2.5
235.02521	1.2
244.00191	3.5
245.00916	20.3
245.03297	1.3
246.01305	1.4
247.02568	1.4
259.99698	4.4
261.00467	2.5
262.01001	1.5
263.01932	1.3
271.04642	1.5
271.99637	1.5
273.00424	10.0
274.00888	1.3
290.00714	9.6
291.01486	87.3
292.01837	8.1
295.58951	0.8
313.05753	1.7
316.99426	0.9
318.00211	4.9
345.99765	5.2
357.15628	11.4
358.07126	2.1
358.16113	1.1
362.03040	0.9
389.05280	1.3
399.03583	4.7
416.12775	1.8
417.04788	73.2
417.13879	100.0
418.05240	7.7
418.14249	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	417.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99031	0.5
59.01378	1.2
62.06049	0.4
69.87940	1.2
71.01390	2.1
73.02939	1.3
81.99181	0.5
83.48073	0.5
89.02449	1.0
108.02184	51.0
109.02980	24.6
110.03329	0.5
133.03004	0.6
151.04002	2.4
152.01167	100.0
153.01657	4.1
163.04019	2.1
179.03540	0.6
212.65625	0.5
241.07205	3.8
285.06165	0.7
417.10434	95.0
418.10797	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	417.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71301	0.5
53.61420	0.6
54.51740	0.5
59.01384	1.9
69.57741	1.4
69.58121	1.2
71.01392	1.8
98.21873	1.2
108.02182	56.3
109.02969	25.0
110.03332	0.7
123.00896	0.6
123.04543	0.6
125.02394	0.6
139.89848	0.5
146.54407	0.6
151.04031	2.5
152.01163	100.0
153.01521	5.0
163.04019	2.0
179.03456	0.6
223.44820	0.6
241.07172	3.8
246.09836	0.6
285.06204	0.8
288.04504	0.7
293.42978	0.6
417.10400	92.4
418.10721	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	417.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
71.01394	5.5
72.99296	0.6
73.02947	1.7
75.00874	7.7
78.67691	0.5
81.03480	0.6
85.02956	2.1
89.02457	2.8
90.02831	0.6
98.21808	1.1
99.00886	0.7
101.02459	1.7
103.00423	1.5
107.01390	0.7
108.02180	58.1
109.02975	27.0
113.02466	0.7
121.02973	0.8
123.00908	2.0
123.04539	1.5
124.01715	1.3
125.02457	2.7
132.27315	0.6
133.02942	0.7
135.04533	0.9
150.03271	0.6
151.00441	0.8
151.04028	2.2
152.01164	92.8
153.01689	5.1
161.04504	0.7
163.03992	2.3
165.05504	0.8
169.01439	3.2
179.05746	1.1
211.02530	2.3
213.07658	0.7
241.07175	4.0
243.09851	1.3
271.04568	2.8
285.06226	1.3
291.01935	0.7
296.27594	0.6
341.10648	2.8
399.09134	0.9
417.10361	100.0
418.10706	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	417.1406
Annotation	Itoside I
Peak:m/z	Relative Intensity
50.75639	0.3
55.01877	0.8
57.03455	0.7
59.01386	6.8
65.00315	0.3
67.01874	1.1
69.03468	0.6
69.25922	1.0
69.26306	0.7
71.01386	4.6
73.02950	1.7
75.00916	0.3
78.01140	0.5
79.01892	0.9
79.54897	0.3
81.03460	0.6
82.00559	0.4
83.01399	1.5
85.02956	3.1
87.00883	0.6
89.02472	1.6
95.01401	2.4
97.02947	1.3
99.00941	0.5
101.02450	4.2
102.26556	0.3
107.01397	3.8
111.00890	1.4
113.02477	2.1
123.00896	18.1
124.01678	14.0
125.02460	16.5
127.00304	0.4
136.98827	0.7
137.02531	0.4
139.00392	2.9
140.01166	1.9
141.01952	2.9
151.00391	11.7
152.00716	0.9
153.01947	1.0
161.04578	0.8
168.00620	3.7
169.01437	21.1
170.01694	0.5
181.05055	0.6
211.02528	1.2
271.04633	0.9
291.01465	1.6
307.55496	0.4
313.05594	1.3
358.07022	0.4
417.14023	100.0
418.14389	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	417.1556
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
57.03435	0.2
59.01387	1.7
61.17805	0.2
65.00330	0.2
67.01897	0.3
68.45118	0.2
69.03459	0.3
71.01390	1.4
81.03479	0.3
81.15688	0.2
84.02146	0.4
84.04548	0.4
85.02957	0.7
87.00900	0.3
89.02431	0.5
93.03436	0.5
95.01388	1.2
95.05030	0.4
97.02951	0.3
99.00922	0.2
101.02443	0.6
107.01460	0.3
107.05049	0.4
108.02173	0.4
109.02961	4.0
109.03695	0.3
109.11858	0.2
111.00903	0.6
113.02453	0.4
119.03529	0.3
119.05074	0.2
121.02960	1.1
123.00895	4.4
123.04562	1.0
124.01623	0.6
125.02443	1.3
131.01451	0.2
133.02943	0.4
135.00945	0.3
135.04552	0.3
136.01686	0.4
137.02460	15.6
138.03043	0.8
139.00403	0.5
139.03984	0.5
147.04536	0.2
149.02449	1.7
149.06099	0.5
150.03230	0.8
151.00385	27.2
151.03984	1.6
152.01181	3.1
152.04817	4.1
153.01917	0.3
159.04532	0.6
160.01669	0.5
160.05292	0.2
161.02469	0.6
162.03268	0.3
163.04048	0.7
164.04826	0.6
165.01944	1.2
166.02728	69.0
167.03404	4.9
173.02458	0.5
175.04056	1.6
175.07510	0.2
176.01215	0.4
176.04645	0.2
177.00459	0.3
177.01950	4.6
177.05522	0.5
178.02667	0.8
179.03493	1.0
179.07132	0.4
181.05081	100.0
182.05412	5.0
184.03766	0.4
188.01094	0.3
188.04903	0.3
189.01962	0.6
189.05603	0.5
190.02728	0.7
190.06346	1.5
191.03580	1.0
191.06973	0.3
192.04295	1.4
193.04990	1.1
195.02988	0.8
202.02773	0.3
203.03458	0.6
204.04332	0.4
205.05037	1.2
205.08696	2.1
206.05867	0.4
207.06691	1.6
209.04552	0.4
210.05368	0.2
210.59288	0.2
213.05602	0.2
218.05885	0.2
219.06627	0.8
220.07364	0.2
221.04564	0.2
236.07013	0.3
243.03221	0.2
243.06622	0.3
255.06622	0.3
258.08954	0.2
259.99628	2.4
276.02509	0.2
299.05618	0.4
301.07166	0.8
314.07919	0.3
316.09494	0.2
329.10199	0.6
341.10211	0.3
344.09018	0.3
357.09811	0.8
358.06894	1.4
359.07443	0.3
359.11417	2.3
360.11819	0.3
369.09625	0.2
371.14917	0.8
372.08521	0.3
385.05676	0.5
387.10880	17.2
388.11276	2.1
402.13217	13.6
403.13696	1.6
417.15607	28.4
418.15912	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27152	0.7
55.01876	0.8
56.11010	0.7
57.03473	1.0
58.00578	1.3
59.01384	100.0
60.01733	1.1
60.78826	0.6
63.60040	0.6
70.77013	0.9
71.01387	45.7
72.66187	0.6
72.99305	1.4
73.02959	1.9
83.01395	1.8
85.02950	8.0
87.00915	1.9
89.02454	60.2
90.02818	2.0
90.14511	0.8
95.01392	3.8
101.02451	34.1
107.01426	1.5
108.02136	0.9
109.03043	0.8
113.02458	19.7
119.03511	28.0
123.00941	2.0
124.01715	1.7
125.02473	5.4
127.00372	0.8
131.03554	3.0
137.27655	0.7
139.00456	0.8
141.01906	0.8
143.03549	2.9
149.04597	2.4
149.06102	1.7
151.00377	1.8
153.01984	1.2
161.04585	2.4
166.06366	0.9
168.00752	1.6
169.01472	7.5
179.05649	5.6
191.03555	0.8
194.09615	3.0
195.10355	0.8
211.02492	5.5
222.08992	1.5
237.11346	9.3
271.04605	8.1
301.00223	1.1
314.35205	0.7
417.04706	1.4
417.10489	4.8
417.14584	2.4
417.18497	6.8
418.10678	0.9
429.65616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03446	0.4
59.01383	7.1
67.88070	0.2
69.03458	0.3
71.01388	13.1
71.40350	0.2
72.99299	0.4
73.02952	5.2
74.16434	0.2
75.00919	0.3
79.01894	0.5
81.03420	0.3
83.01382	1.8
85.02955	5.0
86.00077	0.2
87.00893	1.5
89.02451	2.6
89.51424	0.2
93.03468	0.6
95.01383	1.5
97.02944	0.5
99.00889	1.2
101.02451	7.1
103.04021	0.9
107.01396	1.0
109.02961	2.5
111.00920	0.5
113.02464	4.2
114.70105	0.2
115.04010	0.5
118.97701	0.3
119.03511	1.0
121.02967	22.1
122.03316	0.6
123.00887	3.7
123.04552	0.3
124.01675	2.6
125.02479	4.5
133.05081	3.6
135.04565	1.8
136.98860	0.4
137.02432	0.4
139.00427	0.6
140.01134	0.5
141.01976	0.6
143.03494	0.7
149.06108	1.3
151.00380	3.0
151.84663	0.2
152.64786	0.2
153.01865	0.3
157.05080	0.7
159.03030	1.2
161.02444	0.8
161.04584	6.0
166.06366	100.0
167.06700	5.1
168.00699	0.7
169.01445	5.9
181.08722	84.3
182.09042	4.7
225.05699	0.3
235.08211	2.7
243.06606	2.2
247.26015	0.2
255.05200	0.7
259.99561	0.3
265.07251	0.4
273.05081	0.3
285.07739	0.9
297.15826	0.2
322.35077	0.3
339.05063	0.3
357.06253	0.4
399.12891	0.4
417.08533	2.2
417.13965	20.8
418.09027	0.4
418.14310	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03434	1.3
59.01385	99.6
60.01723	1.3
69.12375	4.6
69.12782	1.4
71.01389	23.3
72.99315	1.0
73.02954	5.7
83.01406	3.5
83.07513	0.8
85.02950	8.3
87.00912	1.6
87.94289	0.8
88.90961	1.0
89.02453	17.0
95.01406	3.8
97.02954	1.5
98.21900	1.9
99.00906	2.2
100.09982	0.9
101.02448	17.5
107.01417	2.8
111.00892	1.7
113.02478	10.1
119.03527	6.9
123.00903	12.6
123.04613	1.7
124.01709	9.7
125.02467	12.8
133.10271	0.9
139.00398	3.1
140.01285	0.9
141.01964	2.4
143.03537	2.7
145.02965	1.5
147.04553	1.4
151.00352	8.1
159.02946	1.2
161.02542	1.7
161.04565	14.1
163.04031	1.0
165.96992	0.9
166.16682	0.9
168.00664	2.6
169.01443	15.4
173.02496	2.4
175.04079	1.3
176.01161	1.3
177.01965	4.3
177.09238	5.5
179.05638	4.0
189.02054	2.4
190.02814	1.3
191.03520	2.1
192.00699	1.1
193.01503	0.9
201.01915	2.5
205.01469	3.8
206.02179	1.6
207.03053	2.0
211.02469	1.2
216.00722	1.3
217.01466	11.0
218.02086	1.9
219.03035	3.6
219.10384	1.1
229.01662	1.5
233.00937	1.3
234.01648	0.8
235.02538	1.4
244.00241	3.4
245.00935	19.3
246.01430	1.5
247.02554	2.5
259.99622	4.6
261.00488	3.3
263.02106	1.4
273.00415	12.9
274.01056	1.4
288.99765	1.1
290.00714	12.1
290.03607	1.4
291.01505	100.0
292.01855	6.5
313.05692	1.6
316.99261	1.7
318.00162	6.8
345.99753	5.3
357.15573	18.1
358.06985	1.9
358.16083	2.6
381.02402	1.0
389.05188	1.7
397.28247	0.9
399.03506	4.4
417.04791	74.8
417.13879	75.7
418.05060	8.8
418.14246	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
57.03454	0.8
58.00595	0.5
59.01385	76.1
60.01720	0.9
62.83823	0.4
69.03452	0.6
69.36969	0.8
69.37383	1.4
71.01389	28.7
72.01734	0.5
72.99317	0.8
73.02953	32.7
74.03308	0.7
81.03488	0.5
83.01396	7.2
85.02960	7.8
87.00893	3.3
89.02454	14.0
95.01392	2.5
97.02978	1.1
98.22630	0.9
99.00912	1.4
101.02451	23.5
102.02773	0.5
113.02457	11.1
119.03509	4.4
125.02463	1.6
131.03522	1.3
143.03508	1.0
149.04643	0.9
161.04573	1.4
183.13916	1.3
191.44534	0.4
195.13916	17.9
196.14389	0.6
209.15598	0.6
213.14961	6.2
214.15491	0.6
237.15024	0.5
261.00507	2.1
302.23776	0.5
357.14795	0.9
357.19232	16.1
358.19611	1.9
375.20261	37.0
376.20517	3.0
417.21313	100.0
418.21658	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01730	0.8
61.21212	0.5
96.04586	2.4
101.02455	0.7
134.09808	1.8
137.09782	0.5
155.10818	2.7
190.12442	1.8
202.12372	1.6
285.18817	0.7
417.21155	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81059	0.5
59.01383	100.0
60.01712	1.2
71.01402	1.3
75.57464	0.4
88.22891	0.5
89.02455	0.7
97.06667	0.5
101.02481	1.2
109.42795	0.5
111.08173	1.7
113.02470	0.5
125.09766	2.0
126.38477	0.4
159.85767	0.5
173.08214	2.2
176.31175	0.5
187.09853	1.5
237.15117	0.5
245.00949	0.8
255.16222	0.7
358.07132	0.7
373.09192	0.7
405.08737	0.6
417.08478	0.7
417.20953	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01709	1.0
71.01402	0.7
81.55268	0.5
81.55791	0.5
100.20457	0.5
109.22568	0.5
171.10170	0.5
195.13930	0.6
270.73276	0.5
279.35513	0.5
343.24841	0.8
345.37817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03444	3.0
58.00586	1.4
59.01384	100.0
59.17058	0.7
60.01706	1.1
69.03460	2.1
70.50784	1.1
70.51103	0.8
71.01386	50.4
71.05016	2.2
72.01738	1.4
72.99297	1.5
73.02962	4.7
73.03306	0.7
81.03467	1.5
83.01391	2.7
83.05032	24.7
83.16714	0.7
85.02958	15.7
87.00859	1.6
89.02449	43.5
95.01397	4.0
97.02956	1.1
99.00903	0.8
101.02451	30.5
101.06110	1.9
102.02756	1.1
102.98640	0.8
107.08683	1.5
109.10218	1.2
113.02458	16.1
115.04041	1.0
119.03518	22.3
125.02373	1.6
127.04019	2.3
131.03508	1.5
137.09744	14.1
139.98637	0.7
143.03532	2.5
145.05035	2.0
149.04587	1.9
161.04567	3.9
169.01369	1.0
175.14890	1.3
179.05579	4.5
189.02013	1.1
193.15950	2.1
219.13895	0.9
235.74742	0.8
237.14972	29.0
238.15350	1.7
255.15973	6.1
255.19765	1.2
261.00333	2.3
269.00906	1.9
297.04099	1.2
341.06531	1.0
417.21246	88.7
418.21597	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	417.2499
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01881	3.6
57.03442	2.3
57.10904	1.0
58.00609	1.6
59.01386	100.0
61.69176	1.0
70.20175	2.9
71.01388	73.4
72.05531	1.1
72.99318	1.9
73.02953	18.4
83.01395	5.8
85.02958	23.0
87.00884	4.9
89.02457	52.9
90.02783	1.3
95.01416	5.0
96.89101	1.0
99.00923	5.7
101.02458	54.1
105.23741	1.0
113.02472	29.1
119.03513	23.3
125.02446	2.2
131.03473	2.2
143.03546	5.5
149.04593	1.2
156.26494	1.0
159.02995	3.9
161.04585	20.9
179.05580	5.9
255.19708	6.6
417.08731	2.5
417.15384	1.3
417.25336	12.7
418.25519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01723	1.1
69.31528	1.4
69.31937	0.5
71.01389	3.2
72.99352	0.3
73.02959	0.3
85.02982	0.8
89.02454	3.3
99.04549	0.9
101.02456	1.8
107.99309	0.3
113.02480	1.1
119.03500	1.5
125.02539	0.4
129.01935	0.4
161.04559	0.6
181.05176	0.3
196.77951	0.3
211.24831	0.4
237.14996	1.9
259.99649	0.5
375.23785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.4
57.03452	4.6
58.00601	1.0
59.01384	80.2
60.01720	0.6
69.03473	0.9
69.28799	1.8
69.29204	1.1
71.01388	100.0
72.01733	1.0
72.99317	2.0
73.02953	26.6
75.00882	1.3
81.03443	0.8
83.01393	11.1
84.02197	0.8
85.02959	41.2
86.03303	0.8
87.00881	4.6
87.04523	2.2
89.02453	37.2
90.02785	1.0
95.01396	8.0
97.02968	2.2
98.18459	0.5
98.21916	1.4
99.00887	8.4
101.02452	64.5
102.02791	1.1
111.00896	0.6
113.02461	41.6
114.02793	1.1
119.03514	16.7
119.04332	1.1
125.02479	2.4
129.01938	1.7
131.03510	2.2
143.03519	5.6
149.04585	1.3
159.03008	8.5
161.04572	49.1
162.04926	1.3
169.01421	0.6
179.05643	4.7
180.01295	0.8
180.95593	0.6
191.59549	0.6
255.19679	2.4
259.99762	1.2
274.01157	0.6
301.03522	2.4
329.10449	0.9
355.08087	1.1
373.09177	1.8
389.29388	0.7
417.08130	3.1
417.25003	42.4
418.25293	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	417.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.8
56.63668	0.5
57.03454	6.6
58.00590	1.2
59.01385	63.3
60.01714	0.6
68.99806	0.9
69.03466	1.0
69.39654	0.9
69.40067	1.5
71.01389	100.0
72.01733	1.4
72.72520	0.6
72.99315	1.7
73.02954	29.6
75.00883	1.7
83.01395	10.2
83.07512	0.5
85.02959	39.1
86.03298	0.8
87.00890	3.5
87.04525	2.8
89.02453	29.1
92.07272	0.5
95.01401	8.8
97.00104	0.5
97.02964	2.5
98.21924	0.7
99.00888	11.6
101.02455	58.0
102.02792	1.6
111.00915	1.3
113.02464	41.9
114.02823	1.5
119.03522	13.6
119.04332	0.9
125.02483	3.9
129.01952	1.4
131.03595	1.1
133.40494	0.5
139.91080	0.5
143.03522	5.4
149.04515	1.3
153.24919	0.6
159.03001	9.1
161.04575	44.2
162.04967	1.8
169.01439	1.1
178.04779	0.7
179.05609	2.6
205.03513	0.6
219.30289	0.5
237.15105	0.6
255.19748	2.7
259.99692	2.7
261.00571	0.9
275.02216	0.8
297.20840	0.6
305.16074	2.4
329.19675	0.6
341.06592	0.9
358.07254	0.6
373.09073	0.7
411.14938	0.5
417.08145	1.6
417.16211	1.2
417.21234	1.2
417.25140	23.2
418.25482	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	418.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57071	2.2
58.47987	2.3
59.01384	100.0
60.01727	12.7
61.01810	12.7
61.98836	93.6
61.99171	3.6
65.53305	2.3
71.01385	39.4
71.24416	2.6
72.01723	10.8
72.99306	2.8
73.01804	5.4
73.02959	17.3
74.03282	2.7
83.01390	2.4
85.02965	9.0
89.02453	54.4
90.02785	20.0
91.02868	19.1
92.03216	2.8
99.00909	14.1
100.01227	5.5
101.01322	5.0
101.02457	23.0
102.02787	6.9
103.02867	6.0
113.02431	10.5
114.02803	5.1
119.03507	5.4
120.28220	2.5
125.02467	2.7
131.03514	7.4
133.03934	4.0
134.04408	2.2
135.04543	12.8
149.04570	15.8
150.04883	14.7
151.05005	14.7
152.05330	2.9
161.04564	7.4
191.05649	5.0
192.05933	4.1
193.06186	5.8
197.04547	3.0
204.02997	2.6
206.74907	2.1
257.04532	5.5
261.00113	3.5
281.09326	7.0
360.98041	2.1
418.16922	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	418.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38255	1.8
59.01386	15.6
70.19825	2.8
70.20150	2.8
71.01389	8.5
72.99300	1.8
73.02936	3.1
85.02950	2.9
85.37565	1.7
87.00899	3.9
88.04031	4.1
89.02471	3.8
101.02462	6.3
108.02176	2.7
109.02977	2.6
113.02504	4.8
121.02930	2.2
121.14908	2.3
123.00909	2.8
145.02986	3.5
146.08206	6.4
149.02451	25.4
149.06032	2.1
150.03249	38.6
152.01172	1.9
161.02516	2.5
161.04567	7.3
162.03201	2.5
164.04785	14.9
165.05585	100.0
166.05957	6.0
169.01431	3.7
180.04280	2.4
195.06630	29.1
199.68141	2.1
218.10278	12.6
219.10660	2.3
220.53302	2.1
277.00278	2.4
301.00073	3.6
326.83499	2.3
327.10880	22.2
418.10376	4.5
419.11859	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	418.245
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32755	20.2
66.66184	15.1
69.13364	32.5
69.13763	100.0
69.67808	16.3
78.09948	20.3
98.21890	40.4
109.65393	24.0
127.23100	17.3
142.58282	23.1
150.82756	16.5
157.94820	20.7
159.13034	17.0
163.02466	18.5
175.67892	18.4
198.22765	23.5
214.48500	22.7
219.42989	18.9
304.02832	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0989
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01389	16.5
71.01383	3.9
73.02959	2.9
76.38866	1.8
85.02966	1.8
89.02461	3.7
95.01371	3.0
97.02959	1.5
101.02467	3.3
101.51960	1.5
109.02962	1.6
116.59887	1.4
117.03510	2.6
121.02987	3.0
123.00900	4.8
124.01669	5.3
125.02451	14.7
126.67599	1.4
131.15192	1.3
133.02959	2.8
135.02998	1.4
145.01534	2.5
145.02983	9.6
147.04561	1.8
161.02446	8.5
162.03189	2.1
163.02463	2.2
163.04047	2.0
165.75539	1.5
173.02431	1.6
173.06071	1.7
174.03212	2.2
175.04041	3.3
177.02003	2.9
182.02216	2.6
183.02965	5.5
183.04526	2.6
186.03207	1.9
188.13541	1.4
189.01917	9.3
189.49287	1.4
190.02704	6.3
191.03462	3.0
199.04163	1.8
201.01852	1.5
201.05638	3.5
201.09224	1.7
202.02757	2.9
203.03519	6.3
206.02167	3.3
210.03296	1.7
211.04027	2.9
211.07780	2.2
212.04749	4.3
213.09171	1.7
214.02739	8.6
214.06323	2.9
215.03448	5.2
215.07016	2.4
215.10823	5.4
216.00833	1.7
216.04181	2.4
218.02182	2.2
219.03035	2.3
220.09973	1.7
221.04578	7.1
224.04655	1.5
225.05463	1.6
227.03539	6.9
227.10834	3.8
228.04253	5.5
229.01303	2.5
229.04991	7.3
229.08731	3.4
230.02185	4.7
231.02678	1.8
241.05150	2.4
242.02176	2.0
242.05815	2.8
243.06635	1.5
243.10219	11.5
245.08286	2.7
246.01787	2.4
248.03250	3.5
253.08804	3.6
255.02951	3.4
255.06540	2.3
255.10280	3.5
256.03787	10.4
257.08173	5.3
258.08789	1.7
269.08133	3.0
271.06528	1.8
271.09802	44.5
272.10297	3.6
281.08289	1.6
282.01675	3.6
285.11343	2.0
287.05881	3.6
287.09055	2.1
287.12769	1.8
288.06540	7.0
289.07007	1.7
299.09265	70.9
300.09595	6.1
301.10904	4.1
303.12375	5.1
311.05569	9.9
315.08685	11.2
325.07288	1.6
331.11926	34.8
332.12213	3.6
343.08240	21.7
344.09406	2.8
347.11292	8.8
375.11014	17.4
376.11203	2.9
419.09875	100.0
420.10349	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	419.156
Annotation	Lamioside
Peak:m/z	Relative Intensity
55.01873	2.8
57.03439	3.6
58.00588	1.5
58.27996	1.0
59.01382	100.0
60.01712	1.1
67.50755	1.3
70.49239	1.8
70.49565	1.4
71.01385	60.1
71.40849	0.9
72.99319	1.1
73.02948	11.8
75.69954	1.0
83.01382	5.6
85.02956	17.5
87.00867	3.1
89.02453	43.3
95.01389	3.2
99.00867	3.4
101.02447	42.3
102.02746	1.3
105.92786	1.0
113.02461	22.3
119.03514	18.6
130.73141	1.0
131.03513	2.9
143.03482	4.4
149.04523	1.6
152.01189	3.4
159.02963	3.5
161.04576	11.9
167.03412	4.9
179.05603	6.1
181.05028	2.0
183.06577	2.6
191.03490	2.5
221.08217	1.4
257.10303	16.5
275.01929	1.1
365.63474	1.0
419.15530	13.9
420.15735	1.2
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
51.92344	0.8
59.01385	100.0
61.98825	1.4
70.06762	2.5
71.01385	1.8
78.95893	1.4
96.96011	3.6
96.96981	1.7
99.00867	1.0
117.00472	0.9
123.00906	1.0
125.02441	1.9
132.42873	0.9
134.03760	29.6
135.04062	1.6
141.32310	0.8
149.06100	61.9
150.03246	1.1
150.06404	2.6
152.01151	2.0
153.01962	6.1
160.28824	0.8
167.03539	0.9
179.07095	1.3
197.08220	20.3
198.08600	1.4
250.45799	0.8
265.00186	1.2
275.01923	0.9
300.99911	2.5
419.11099	3.1
420.10950	0.8
436.95038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44053	0.8
56.59269	0.8
59.01370	2.4
60.14882	0.8
67.49455	1.1
68.56119	0.9
69.39167	2.8
69.39562	1.9
71.01383	2.1
77.59163	0.8
85.02979	1.0
89.02440	1.9
107.95721	1.0
108.02203	0.9
109.02928	1.1
111.08138	0.9
113.02438	1.1
124.01647	1.5
136.01639	1.5
137.02452	8.9
145.02965	2.7
147.04509	4.5
151.04027	6.2
152.04695	1.6
159.04451	1.0
161.06100	1.7
163.04016	6.6
166.02711	1.8
166.06384	1.1
173.02438	2.3
174.03206	5.9
175.04021	26.3
176.04784	7.8
177.05519	2.9
178.02768	1.0
179.03540	1.4
180.04317	4.3
181.04973	1.3
188.04803	5.2
189.05577	11.1
190.06363	32.6
191.07150	21.6
191.30980	0.9
192.04437	1.5
192.07553	1.3
193.05086	7.8
194.05850	5.0
203.07138	3.4
204.08061	1.0
205.08702	20.8
207.06606	7.4
208.07422	23.2
222.08980	8.9
257.08450	1.1
310.94635	1.0
311.05469	1.0
313.07178	1.1
374.13586	3.8
389.16095	100.0
390.16467	11.7
403.08682	1.0
419.21933	1.0
419.26688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37640	1.0
55.01886	1.3
57.03455	1.6
58.00582	1.1
59.01386	83.7
61.23295	1.0
61.98502	0.9
61.98827	4.1
69.15885	6.4
71.01389	57.2
72.01705	1.2
72.99297	1.3
73.02953	21.7
83.01384	2.9
85.02946	8.9
87.00890	1.4
87.72810	1.0
89.02454	100.0
90.02803	2.4
94.23724	1.2
95.01388	2.6
99.00270	2.4
99.00887	29.1
101.02451	31.4
105.51363	1.2
113.02460	10.4
119.03487	3.6
125.02457	9.2
131.03511	17.7
138.61722	1.1
143.03494	1.3
149.04567	46.2
161.04564	3.3
169.01450	2.7
191.05617	13.3
233.06616	2.0
251.07909	1.2
282.75677	1.1
310.35202	1.2
344.10022	2.2
346.06989	1.1
419.22607	10.0
420.10541	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	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61567	0.7
55.01888	0.8
57.03457	0.7
58.00600	1.8
59.01385	89.3
69.03473	1.5
71.01387	58.6
72.01731	1.7
72.99310	1.3
73.02953	21.2
74.95719	0.7
74.99111	0.8
75.00907	0.8
81.03471	0.7
83.01399	1.9
83.43316	0.6
85.02966	6.4
87.00892	1.5
89.02452	100.0
90.02772	1.2
95.01405	1.3
96.96001	0.7
97.02972	2.3
99.00890	29.0
101.02452	38.0
102.02767	0.8
113.02462	12.4
115.04002	0.8
119.03517	9.5
125.02465	4.9
131.03511	18.8
136.99223	0.8
137.02475	0.7
143.03496	3.4
149.04572	51.2
150.04932	1.4
161.04576	4.0
179.05580	2.5
191.03996	0.7
191.05629	13.0
221.06519	2.5
233.06573	1.3
251.07814	3.3
281.20697	0.7
287.15018	0.9
293.08710	0.8
341.01852	0.8
401.25323	1.0
404.51279	0.8
419.19073	10.4
419.24707	1.2
420.19052	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88409	1.6
69.13575	3.6
69.13959	4.9
113.45544	1.6
137.09747	2.7
147.09222	1.5
371.29535	7.4
373.31210	23.8
374.31534	2.4
419.31705	100.0
420.31955	11.3
432.58682	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2292
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
50.61212	0.9
52.61135	1.0
53.84583	0.7
55.01873	1.4
55.17222	0.7
55.47983	0.8
57.03437	2.2
58.00588	0.9
59.01385	90.5
59.57188	0.8
68.65099	0.8
69.36160	4.1
71.01387	41.1
72.99287	2.1
73.02937	2.5
81.03452	1.0
83.01391	3.0
83.05037	40.3
84.05357	1.2
85.02962	7.8
87.00865	2.4
89.02454	39.7
95.01364	2.4
97.02953	1.9
97.22604	0.9
99.04519	1.0
101.02451	25.1
101.06064	1.6
113.02459	13.9
119.03526	20.1
125.02454	1.2
131.03496	1.2
139.11327	6.8
139.12251	1.1
143.03455	2.3
145.05048	1.6
147.85701	0.9
152.31377	1.0
161.04547	2.1
169.01468	1.8
175.94440	0.9
179.05679	4.2
239.16544	30.6
240.16835	3.8
257.17581	6.3
287.22195	3.3
333.09717	1.2
419.22754	100.0
420.23166	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	419.3175
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
50.70178	1.8
53.51348	1.5
59.20574	1.8
61.98828	2.9
69.91194	4.1
69.91530	2.5
96.95995	1.7
137.09741	2.7
158.79041	1.8
241.01083	1.7
371.29672	7.9
373.31146	24.9
374.31488	2.7
419.31714	100.0
420.32129	13.4
437.87692	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	419.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71810	0.2
60.20502	0.2
66.07173	0.2
70.41107	0.2
80.02682	1.2
81.03462	0.3
85.06592	0.4
97.06542	0.3
98.22708	0.5
121.91981	0.2
121.93162	0.2
137.09741	2.2
145.80319	0.2
149.09816	0.5
219.85287	0.2
227.48631	0.2
233.19408	0.2
338.32159	0.2
341.25085	0.3
345.28171	0.5
355.26392	0.6
357.28116	0.5
369.27945	0.3
371.29565	10.0
372.29889	1.5
373.31134	16.7
374.31494	2.8
401.06351	0.2
419.31689	100.0
420.32043	16.0
426.09344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85318	0.8
59.01383	53.7
64.81568	0.9
69.03445	1.4
70.40630	0.9
71.01388	10.2
72.99287	1.2
73.02966	2.5
79.72884	0.8
85.02970	2.5
85.27402	0.8
87.00867	1.3
87.04510	1.3
89.02456	5.5
95.01405	1.2
96.96034	1.6
97.06638	1.4
99.00917	2.9
99.92592	8.4
100.93387	10.6
100.93994	1.6
101.02446	5.5
113.02480	5.0
115.04034	3.4
115.90932	0.9
115.92085	14.9
116.25018	1.0
116.92874	100.0
117.92883	4.9
119.03505	3.3
119.05106	1.1
121.02997	1.3
125.02475	1.7
133.02963	1.2
134.03723	1.1
135.04536	2.3
140.92918	1.3
143.04971	1.8
145.01408	1.7
145.02985	3.5
147.04507	2.0
149.02422	1.4
150.03233	1.1
158.03743	1.8
159.04550	1.6
161.02457	2.9
161.04582	3.4
163.04024	2.7
169.01347	1.5
172.01654	1.5
173.02457	1.9
174.03220	3.7
175.04016	1.3
177.01891	1.4
179.05685	2.0
187.04047	1.6
187.07693	1.8
189.01915	3.0
189.05647	1.2
189.09196	1.3
190.02736	2.1
191.03517	2.4
192.00638	1.5
195.06772	1.1
199.07643	1.3
199.13377	1.8
200.01167	1.3
202.02710	2.3
205.01459	1.3
213.01956	2.0
215.03503	1.3
215.07219	2.2
216.00644	2.0
217.01456	4.2
217.08742	4.0
218.02264	2.7
227.03537	6.9
228.04308	1.0
233.00883	1.1
241.05087	1.1
242.02022	1.0
243.03065	2.3
243.10376	1.4
244.00150	4.7
245.08231	2.7
259.12024	1.6
261.00345	5.5
261.03989	1.0
261.11331	5.2
262.11600	1.5
269.08069	1.4
271.02444	2.9
271.09766	3.1
271.99677	6.9
272.02411	1.0
273.00409	1.3
273.04071	1.3
289.10861	15.9
297.04041	1.4
297.07654	4.5
301.00009	1.7
304.08142	1.0
305.10339	3.1
306.07675	2.9
315.05127	2.5
315.08728	4.8
317.03360	4.9
317.89594	1.1
333.09796	20.3
334.10001	2.4
335.04254	5.0
341.06760	4.4
359.04248	1.5
359.07755	12.8
377.09009	12.9
385.02051	1.2
421.03745	9.6
421.16803	0.9
421.21063	6.9
422.04187	1.5
441.97241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
57.03454	1.7
59.01389	1.1
61.85829	0.4
65.18889	0.4
69.35178	1.8
71.01383	0.8
72.99311	1.3
73.02935	0.5
83.01406	1.0
85.02969	0.3
99.00890	19.8
100.39111	0.3
101.02447	4.5
117.01949	10.5
119.03517	0.6
123.00882	0.7
124.01711	0.7
125.02457	1.1
145.01443	71.2
146.01790	1.4
163.02502	100.0
164.02885	2.3
169.01485	1.2
171.80498	0.5
172.05322	1.0
173.06015	0.5
187.07648	6.1
201.05627	0.6
202.06352	0.9
231.10271	4.4
257.08234	1.3
268.26541	0.3
275.09280	3.8
382.58411	0.4
421.11365	2.5
421.54108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73058	0.4
55.01876	0.6
57.03442	1.6
57.88786	0.4
59.01374	2.0
67.06371	0.4
69.07410	3.2
71.01392	1.0
72.99317	1.2
79.13063	0.4
83.01392	1.1
90.55137	0.4
99.00884	21.4
101.02444	4.1
107.05038	1.1
111.44612	0.4
117.01952	10.5
117.02724	0.7
119.03582	0.4
123.00877	0.8
124.01704	0.6
125.02470	2.3
145.01439	67.3
146.01814	1.4
163.02498	100.0
164.02818	2.7
169.01456	2.6
172.05334	1.3
173.06088	0.7
184.44853	0.4
187.07643	6.8
202.06354	1.1
231.10242	4.5
252.38608	0.4
257.08356	0.7
275.09247	3.6
279.81818	0.5
302.38287	0.5
313.05463	0.8
421.11447	4.6
422.11923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03448	1.9
59.01385	10.0
69.03457	1.0
69.36867	4.0
69.37213	1.5
69.97798	0.8
71.01399	5.7
72.99329	1.7
73.02954	2.4
74.84277	0.8
83.01395	3.8
85.02972	3.4
87.00851	0.7
95.01396	2.1
97.02950	1.1
99.00888	18.8
101.02466	6.3
107.01392	8.8
110.00131	0.7
111.00895	2.6
113.02479	1.7
117.01962	8.3
118.96864	0.8
123.00900	17.6
124.01685	20.6
125.02460	25.6
127.00372	1.3
136.98839	1.3
139.00380	4.4
140.01170	3.1
141.01944	3.2
145.01443	63.4
146.01807	1.7
151.00392	11.2
163.02502	77.1
164.02983	1.8
168.00652	4.8
169.01447	35.7
170.01758	1.7
172.05333	0.9
180.04292	0.9
187.07649	6.5
195.94498	0.9
202.06361	1.0
205.79141	0.7
213.09325	0.8
231.10358	3.6
257.08276	1.1
275.09317	3.2
389.76877	0.8
421.11453	100.0
422.11758	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	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12512	0.3
55.01877	0.7
57.03445	0.6
59.01387	5.3
67.01875	1.2
68.99812	0.3
69.03440	1.1
71.01388	4.5
72.99316	0.3
73.02958	2.1
78.01101	0.6
79.01891	1.1
82.00663	0.4
83.01382	1.9
85.02960	3.5
95.01392	2.5
96.96043	0.5
97.02951	1.3
99.00887	2.5
101.02450	4.7
107.01388	4.1
110.00094	0.4
111.00906	1.7
113.02463	2.0
117.01945	0.8
123.00902	21.6
124.01685	17.2
124.02637	0.5
125.02468	18.6
126.02800	0.6
127.00378	0.9
136.98828	1.0
137.02481	0.4
139.00403	3.1
140.01176	2.4
141.01970	4.3
143.48029	0.3
145.01454	4.8
151.00394	12.7
153.01950	0.7
159.03033	0.4
163.02528	1.6
163.03767	0.4
168.00671	4.5
169.01448	22.7
170.01834	0.6
172.29236	0.4
181.05190	0.4
187.07658	1.2
202.06305	0.4
213.09184	0.7
222.97302	0.3
231.10330	2.4
241.03455	0.4
313.05652	1.3
345.05438	0.4
421.11423	100.0
422.11755	10.4
422.17288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32433	5.4
57.24014	4.0
59.01385	100.0
64.79388	4.2
69.41364	19.8
71.01389	10.6
73.02924	7.0
78.88428	4.2
89.02446	8.6
96.59804	4.7
101.02444	7.1
111.08164	4.7
113.02464	6.5
118.87839	4.8
136.87144	4.5
145.10294	3.9
148.66762	4.3
161.04561	11.0
169.01344	4.9
172.89456	4.3
174.65857	4.3
188.99141	5.0
216.00845	4.8
242.44388	4.4
274.01236	8.4
275.02023	10.0
296.30960	4.0
300.99814	19.1
405.02737	16.1
421.16071	24.0
422.16714	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25032	1.6
57.03455	1.9
59.01387	14.3
61.26892	1.4
61.81738	1.5
66.88985	1.5
67.01880	1.6
69.39125	7.3
71.01377	6.1
73.02967	1.4
83.02663	1.8
85.02969	3.7
96.96027	2.3
98.98658	1.5
99.00889	16.7
101.02455	7.2
107.01401	5.2
111.00908	2.5
113.02438	3.0
117.01945	6.1
121.45559	1.5
123.00903	16.8
124.01671	16.0
125.02464	18.8
129.20543	1.6
135.82387	1.7
139.00380	2.2
140.01132	3.3
141.01904	3.6
145.01450	45.5
151.00371	8.0
163.02501	11.9
168.00653	4.6
169.01430	23.8
175.07689	3.0
177.01965	2.0
185.11954	1.9
187.07669	4.8
213.09305	3.5
215.07068	2.0
229.08566	1.7
231.10281	11.7
240.17465	1.9
245.81462	2.0
275.09100	2.9
351.03845	1.8
421.11420	100.0
422.11703	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25032	1.6
57.03455	1.9
59.01387	14.3
61.26892	1.4
61.81738	1.5
66.88985	1.5
67.01880	1.6
69.39125	7.3
71.01377	6.1
73.02967	1.4
83.02663	1.8
85.02969	3.7
96.96027	2.3
98.98658	1.5
99.00889	16.7
101.02455	7.2
107.01401	5.2
111.00908	2.5
113.02438	3.0
117.01945	6.1
121.45559	1.5
123.00903	16.8
124.01671	16.0
125.02464	18.8
129.20543	1.6
135.82387	1.7
139.00380	2.2
140.01132	3.3
141.01904	3.6
145.01450	45.5
151.00371	8.0
163.02501	11.9
168.00653	4.6
169.01430	23.8
175.07689	3.0
177.01965	2.0
185.11954	1.9
187.07669	4.8
213.09305	3.5
215.07068	2.0
229.08566	1.7
231.10281	11.7
240.17465	1.9
245.81462	2.0
275.09100	2.9
351.03845	1.8
421.11420	100.0
422.11703	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	421.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84710	0.8
53.43132	0.9
57.03443	4.1
58.02978	1.3
59.01080	1.6
59.01384	32.6
61.98836	0.9
69.50792	1.1
70.02987	12.7
71.01383	8.7
71.05020	15.3
72.00911	1.1
73.02949	3.2
74.99109	0.9
85.02962	3.1
87.00890	2.0
87.05645	4.6
89.02457	10.0
91.18535	0.8
95.01424	0.9
96.96024	1.3
99.04541	6.2
101.02463	6.3
108.02196	1.0
113.02473	4.3
115.05113	1.6
116.07165	2.3
116.92843	1.4
119.03507	3.3
121.04024	1.1
123.00892	1.2
123.04558	1.0
125.02452	3.0
128.07173	1.6
129.05608	2.0
130.03311	9.2
131.03500	1.2
135.04524	1.2
143.03539	1.0
145.01436	1.9
146.08243	81.5
147.06015	4.2
147.08609	2.1
150.03232	1.1
161.04599	1.4
165.05682	1.0
168.00621	1.3
169.01416	3.4
175.53316	0.9
179.05592	2.3
190.02834	1.0
197.11842	1.2
199.13254	1.0
216.00563	1.3
217.11938	19.3
241.10820	2.5
259.11749	1.2
261.00293	1.8
277.12283	100.0
278.12570	7.9
300.99982	1.7
319.13324	1.5
327.09769	1.2
333.09686	1.6
361.18762	1.7
364.99518	1.2
403.23294	2.5
420.98508	1.5
421.03952	2.3
421.11658	4.4
421.19925	4.7
421.24850	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	421.2083
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.15855	0.7
55.01885	9.9
57.03456	6.9
59.01384	53.0
66.81952	0.8
69.03445	2.7
69.33266	4.3
71.01389	100.0
71.05009	1.3
72.01705	2.4
72.99310	1.2
73.02953	49.3
74.03310	0.9
75.00880	2.4
83.01398	14.9
85.02958	50.0
86.03335	1.1
87.00867	5.1
87.17989	0.8
89.02452	26.6
95.01386	7.9
97.02968	5.5
98.22588	1.9
99.00887	17.9
99.04539	1.0
101.02449	78.4
102.02821	1.9
111.00891	2.1
113.02458	36.7
115.04015	4.4
119.03520	2.0
125.02447	8.7
127.04037	0.9
127.11319	3.2
129.01936	1.0
131.03491	4.4
140.55836	0.8
143.03542	3.9
145.01453	4.2
149.04550	2.8
159.03012	6.8
161.04567	42.3
191.05626	1.4
233.06644	8.3
279.20599	0.8
289.16583	78.4
290.17001	5.3
293.08801	2.8
331.18222	0.9
345.10986	1.1
421.20813	84.8
422.21182	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	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
55.34581	0.6
57.03451	2.0
58.00595	0.8
59.01384	100.0
60.01714	0.8
62.31946	0.6
69.03471	0.8
70.41543	0.6
71.01387	56.9
72.99288	0.8
73.02949	15.8
83.01401	4.7
85.02959	10.5
87.00896	1.9
89.02451	83.3
90.02780	1.0
95.01435	3.8
97.02953	2.2
99.00887	17.2
101.02449	38.5
102.02782	0.6
113.02459	18.0
114.02746	0.6
115.04021	1.8
117.01933	1.4
119.02655	1.1
119.03516	19.5
120.03851	0.7
125.02473	4.3
131.03514	10.7
134.75372	0.6
138.92087	0.6
143.03477	3.7
145.01434	9.2
149.04575	25.2
161.04530	4.5
179.05650	7.7
191.05656	6.6
192.06010	0.8
218.32985	0.6
219.33630	0.6
233.06671	3.9
251.07724	1.0
275.09415	0.6
289.16608	2.7
293.08783	0.9
405.89786	0.7
421.20810	34.3
422.21201	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	421.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18874	2.8
69.57369	12.5
80.96514	3.6
87.70303	2.7
155.53503	3.3
159.00542	3.6
163.11302	100.0
164.11626	6.7
201.52765	3.5
332.13248	3.3
339.23294	72.2
340.23621	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	423.0033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
59.67040	0.4
60.21131	0.4
71.01386	0.8
85.02930	0.8
94.01020	0.5
98.22661	0.8
99.00918	0.6
122.08590	0.5
122.90688	0.5
129.01933	0.8
134.03755	0.7
145.01462	2.2
146.01782	1.2
147.01852	0.7
149.67004	0.5
151.56822	0.5
157.13889	0.5
197.13899	0.6
257.01001	1.4
269.98080	11.1
270.98441	0.9
285.00418	11.0
286.00684	1.4
290.67844	0.5
297.00369	0.6
297.97565	41.0
298.97925	2.0
307.99890	0.6
312.99930	65.4
314.00244	5.7
328.02261	67.7
329.02606	6.8
343.04605	100.0
344.04932	10.0
423.00305	5.2
423.06396	0.8
423.20676	0.6
424.00604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98399	3.4
59.01382	59.4
61.12681	3.0
63.55461	3.2
83.01397	3.4
85.02943	3.3
85.47682	3.1
94.97803	3.3
98.21902	9.7
101.10137	3.8
103.00383	100.0
109.02972	3.1
125.02478	9.7
145.02971	10.2
150.03271	19.3
151.00389	6.5
153.01990	4.9
165.05499	17.3
166.02652	4.9
169.01442	7.2
177.02000	4.0
178.99869	10.6
193.01421	6.1
195.06602	8.7
217.05092	5.1
245.04485	8.8
246.01683	3.8
246.05222	7.6
261.07651	8.0
341.02774	8.1
346.38608	3.5
360.61908	4.5
362.99896	3.9
423.00046	29.0
423.05493	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	423.0938
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
55.01879	0.6
57.42451	0.3
59.01389	3.0
67.01900	1.1
69.03462	0.8
69.13105	0.8
69.13514	1.9
71.01392	5.0
73.02951	1.8
74.98507	0.4
79.01894	1.0
81.03467	0.7
82.00587	0.5
83.01395	1.0
85.02959	3.6
86.00074	0.3
87.04519	0.6
89.02450	0.6
93.03465	0.4
95.01392	2.5
97.02947	1.3
98.21826	0.8
99.00878	0.4
100.46599	0.4
101.02446	2.9
107.01405	7.1
108.02187	6.5
109.02969	19.3
110.00195	0.4
110.03273	0.5
111.00892	1.8
113.02488	2.3
123.00904	15.8
123.04570	0.8
124.01692	10.0
125.02470	35.0
126.02792	1.2
127.00342	0.9
135.04591	0.5
136.98828	1.3
137.02475	0.9
139.00424	2.5
140.01204	2.9
141.01974	2.7
149.02425	0.6
151.00397	11.0
151.04012	0.7
153.01984	0.6
161.02505	0.5
163.03986	1.0
165.05637	0.6
168.00693	3.2
169.01453	45.4
170.01828	1.9
172.04080	0.9
179.03490	0.7
181.05023	0.4
189.28763	0.5
191.03522	0.6
193.01540	0.5
200.03548	1.6
201.11398	0.7
211.02525	1.1
217.01523	0.6
217.05331	0.9
253.03517	1.1
261.00522	0.6
271.04562	0.5
297.06146	0.5
313.05673	8.6
314.06229	0.5
366.41162	0.4
381.20441	0.4
422.99973	2.7
423.09369	100.0
424.00977	0.6
424.09726	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	423.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.8
59.01394	9.6
61.98825	2.0
65.72070	1.9
66.06106	2.1
69.26955	4.7
69.27363	6.2
71.01391	27.6
72.99332	6.9
75.00887	9.0
79.95734	11.7
83.01378	3.3
85.02956	14.8
89.02478	3.1
96.96021	3.7
97.06591	2.6
98.22662	4.1
99.00894	28.6
101.02452	4.8
107.04989	2.6
109.02980	9.0
113.17869	2.2
114.99589	3.1
115.00385	58.2
116.00713	2.5
117.01954	8.8
122.03769	2.5
123.34863	2.3
129.01949	16.6
133.00449	4.7
133.01448	86.7
135.04533	16.8
145.01442	100.0
146.01804	3.3
148.05321	2.2
158.03770	1.9
159.04539	6.9
160.35818	2.2
163.02519	6.5
165.04088	15.5
172.05310	2.7
173.06139	10.3
175.07687	2.4
177.09195	2.9
184.05313	2.4
187.04027	4.8
187.07666	36.9
188.08046	3.4
197.05989	3.8
201.05617	5.7
202.06367	24.2
205.08720	4.0
213.09233	18.9
214.09630	2.5
216.07802	2.3
231.10262	57.8
232.10670	4.4
233.11823	3.8
263.12921	9.1
275.09268	29.5
276.09903	2.4
277.10849	18.0
293.10373	8.7
307.11954	16.4
405.11951	5.7
422.99847	3.0
423.13165	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.1
59.01383	100.0
60.11040	2.3
69.14164	10.3
69.14567	3.9
70.99305	2.2
71.01389	82.9
72.99310	2.5
73.02938	22.3
83.01391	5.9
85.02960	20.0
87.00869	6.9
87.04550	2.7
89.02451	68.9
90.06721	2.4
95.01398	5.6
96.35517	2.2
99.00853	4.2
101.02450	55.5
101.96197	2.4
113.02462	32.1
114.59876	2.1
115.00388	2.8
119.03509	30.9
120.99601	3.0
125.02460	5.6
131.03494	6.8
131.51385	2.7
143.03493	8.6
149.04529	4.6
161.04573	23.2
179.05600	38.1
185.06326	2.3
221.06721	14.3
241.21004	2.4
300.99786	2.5
423.00085	2.9
423.05496	2.7
423.18579	16.4
424.17734	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	67.1
61.98842	9.1
62.07724	7.1
69.90468	21.3
71.01380	20.8
73.02975	6.3
87.00889	8.9
88.62462	8.0
89.02478	17.8
96.95974	18.3
101.02431	14.6
113.02467	8.7
119.03542	9.1
150.03194	9.9
165.05583	24.5
169.01395	12.3
189.01926	11.4
190.02682	10.0
195.06720	8.4
217.01465	9.8
219.03174	8.9
246.01692	25.7
247.02495	100.0
275.02048	7.7
379.06970	19.4
421.81332	7.9
423.00214	11.8
423.05301	17.8
423.10455	11.8
423.18182	34.7
424.16211	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.1
55.13614	0.5
57.03450	5.3
58.00604	1.0
59.01382	46.1
60.01737	0.7
69.03465	1.2
69.34021	1.3
69.34415	1.7
71.01386	67.8
72.01704	1.0
72.99290	1.0
73.02952	39.5
74.03275	0.8
75.00877	1.5
76.35919	0.6
81.03459	1.5
83.01390	13.6
84.29259	0.6
85.02958	37.9
86.00099	2.0
86.03253	0.7
87.00896	4.2
88.33901	0.5
89.02451	15.3
92.56636	0.6
95.01386	5.1
97.02975	3.1
98.21933	1.2
99.00887	13.1
99.04525	1.1
101.02449	68.4
102.02802	1.0
111.00879	2.4
113.02460	27.8
115.04024	2.0
123.93545	0.6
125.02441	4.6
127.11324	0.7
129.01987	2.2
129.12910	1.0
131.03545	4.2
134.03755	1.2
143.03532	2.5
145.01398	1.3
149.04549	2.0
159.02991	4.8
161.04564	28.9
162.04880	1.1
191.05618	0.7
233.06622	3.2
291.18155	100.0
292.18512	7.8
293.08881	0.8
307.11725	1.0
337.29688	0.6
410.92108	0.6
422.62595	0.7
423.00070	1.8
423.22379	86.8
424.22610	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	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.5
57.03451	5.4
59.01385	54.7
67.01888	1.0
69.03450	3.6
69.31877	4.4
71.01389	70.5
72.99301	2.0
73.02953	42.5
75.00873	1.1
75.31000	0.7
80.73464	0.8
83.01401	16.1
85.02960	41.8
86.00098	2.2
87.00878	4.2
89.02451	12.7
93.26189	0.8
95.01402	3.8
97.02939	4.7
99.00266	1.3
99.00896	16.6
101.02454	78.8
102.02798	1.1
111.00893	2.3
113.02460	28.5
115.00383	2.4
115.04017	1.8
119.16670	0.8
121.03042	0.8
123.00880	0.8
124.01661	1.1
125.02463	6.2
127.11286	1.5
129.01944	2.7
129.12865	2.0
131.03560	4.4
133.02977	6.5
134.03757	6.7
137.02451	2.0
143.03522	2.1
145.01443	4.6
147.01883	2.5
149.04587	2.7
158.41341	0.7
159.02988	4.7
161.04567	26.8
161.39320	0.8
163.02554	0.8
165.11966	0.8
169.01472	1.0
173.02525	1.3
174.03226	2.5
177.01913	6.6
178.02730	3.6
203.10696	0.9
205.05432	0.8
231.10342	2.5
233.06680	3.7
263.12872	1.1
275.09259	7.1
276.09799	1.2
291.18170	99.4
292.18475	7.0
307.11850	2.2
394.96402	0.8
422.99875	2.3
423.22394	100.0
424.22696	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.5
57.03440	4.4
58.00610	1.2
58.90588	0.8
59.01385	48.8
69.03471	2.0
69.27044	3.9
69.27453	1.7
71.01389	56.1
73.02954	37.2
75.00864	1.6
81.86284	1.0
83.01399	14.5
85.02961	33.3
86.00106	2.1
86.19700	0.8
87.00884	4.0
89.02460	12.6
95.01398	3.4
97.02971	2.4
98.40828	0.8
99.00899	14.2
101.02457	66.0
102.02819	1.3
111.00888	2.9
112.01640	1.1
113.02458	20.6
115.04032	2.1
125.02456	4.4
129.01990	2.9
131.03493	3.5
134.03766	1.0
143.03529	2.8
145.01439	4.4
149.04617	1.9
154.54671	0.9
159.02953	4.9
161.04572	22.6
191.05585	1.0
191.72194	0.9
233.06717	2.9
244.31145	0.9
267.02783	0.9
291.18164	100.0
292.18509	8.3
297.97565	1.2
313.00082	2.8
326.77557	1.1
328.02335	2.8
343.04654	4.3
422.99991	3.4
423.22415	85.8
424.22760	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	423.2758
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
59.01377	0.6
62.72841	0.5
68.03107	0.5
70.50264	0.6
111.08199	0.8
115.27044	0.5
149.27119	0.5
165.12856	5.7
182.49265	0.5
183.13911	100.0
184.14279	4.5
185.39813	0.5
195.13905	16.1
196.14304	1.0
200.54439	0.6
209.11815	1.3
213.14986	13.3
214.15215	0.9
227.12846	5.6
301.75870	0.5
308.02716	0.5
311.09555	0.5
317.28058	0.5
361.27496	9.8
362.27924	1.7
379.28510	0.5
416.36938	0.5
422.99896	1.8
423.27542	30.1
424.27835	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	423.3272
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
58.00600	7.6
64.31796	0.9
69.21716	4.8
71.01378	1.5
73.02971	0.8
97.06592	10.9
142.91722	0.8
145.03798	0.8
171.59721	0.9
184.63901	0.8
280.40295	0.9
290.42657	0.9
349.28970	4.0
350.28922	0.9
371.27435	2.3
373.96225	0.8
381.27930	1.2
387.30524	8.0
388.31027	1.6
389.28519	3.0
405.31741	7.0
406.28751	54.4
407.29150	9.2
421.31219	14.3
422.31329	2.7
422.99973	2.9
423.32727	100.0
424.27530	1.5
424.33041	18.0
441.33701	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0143
Annotation	Eschweilenol A
Peak:m/z	Relative Intensity
59.01387	0.8
71.01384	0.9
82.95397	0.2
85.02977	0.4
89.02441	0.4
95.01437	0.4
96.96014	0.2
98.21827	0.4
98.95611	0.2
99.92619	0.2
101.02447	0.3
107.01396	0.3
111.00928	0.2
113.02460	0.2
119.03545	0.2
123.00886	0.3
124.01693	0.4
125.02435	0.9
135.04524	0.2
137.54024	0.1
144.02168	0.3
145.02921	0.3
160.01666	0.5
161.04529	0.2
169.01427	1.6
169.06577	0.2
172.01691	1.4
173.02435	0.5
177.01994	0.3
179.05084	0.3
182.03601	0.2
183.04523	0.3
185.02429	0.2
188.01138	0.4
189.01947	0.3
191.05086	0.2
193.01512	0.3
195.04556	0.6
197.06090	0.5
198.03159	0.2
199.00307	0.3
200.01195	1.2
201.01952	0.5
202.02620	0.2
202.99982	0.2
207.04527	0.5
209.06096	0.2
211.03999	0.4
213.05583	0.3
216.00653	1.3
217.01357	0.7
219.04639	0.2
223.04048	1.2
224.04785	0.2
225.05659	0.3
226.02621	0.2
226.99931	0.3
227.03697	0.2
228.00705	1.2
229.01413	0.6
233.00763	0.3
235.04099	0.8
237.01904	0.2
238.02821	0.2
239.03581	0.6
241.05171	0.3
242.99300	0.5
244.00102	1.6
245.00876	1.4
249.02031	0.2
250.02753	0.3
251.03517	1.9
252.04233	0.2
253.01379	0.3
253.05101	0.6
254.02377	0.2
256.00128	0.2
258.01743	0.2
261.02042	0.3
262.96112	0.2
263.03510	1.0
264.04013	0.3
266.01990	0.3
267.02945	1.2
268.03839	0.2
269.01093	0.4
269.04617	0.7
270.98801	2.1
271.99609	1.5
273.00427	2.1
278.02234	0.2
279.03021	2.3
280.03613	0.3
281.01199	0.2
281.04633	0.9
282.01718	0.2
282.98859	0.8
283.02142	0.2
283.99789	0.3
285.00476	0.2
285.03937	0.3
291.03137	0.3
294.01541	0.3
295.02496	1.8
296.03186	0.3
297.00375	0.4
297.04019	0.7
298.98337	2.5
299.99136	25.1
300.99744	5.1
302.00333	0.2
305.01041	0.4
306.01733	0.4
307.02551	2.2
308.03156	0.3
309.00699	0.3
309.04065	0.6
309.97476	0.2
310.01086	0.3
311.01938	0.6
312.02649	0.2
312.99915	0.7
313.03333	0.4
314.00604	0.7
319.02463	0.3
321.00400	0.3
322.01169	0.7
322.26837	0.2
323.01904	2.0
324.02603	0.5
324.99890	2.0
325.03558	1.5
326.00375	0.3
326.03934	0.3
327.01254	0.2
333.00388	0.7
334.01196	0.7
335.01944	3.7
336.02438	0.3
336.99725	0.3
337.03354	0.3
338.00711	0.3
339.01477	0.5
339.98453	0.3
340.02209	0.6
340.99286	0.7
341.03040	1.4
350.00870	0.4
351.01489	4.2
352.01761	0.6
352.99292	0.9
353.03128	1.4
360.99979	0.4
362.00693	0.4
363.01334	1.0
364.02139	0.3
366.00195	0.2
369.02457	1.4
378.00101	0.2
379.00949	15.1
380.01407	1.4
381.02606	0.6
388.99451	0.4
390.00458	0.8
397.02029	2.4
398.02225	0.3
405.99661	0.5
407.00455	19.6
408.00919	2.5
425.01526	100.0
426.01880	11.2
426.10809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29128	0.2
58.68694	0.1
59.01389	1.7
61.98832	0.2
65.00320	0.1
69.28693	0.7
71.01381	0.5
72.99291	0.1
73.02950	0.2
73.56997	0.1
81.37058	0.1
88.03168	0.2
89.02460	0.2
93.06584	0.2
95.01381	0.3
95.09622	0.2
97.06629	0.2
99.00883	0.1
101.02464	0.3
102.60975	0.2
107.01399	0.2
109.02944	0.1
113.02460	0.3
116.02648	0.8
123.00904	0.3
124.01654	0.3
125.02455	1.5
132.02176	1.2
144.02191	2.4
145.02936	0.5
147.00836	0.3
147.04538	0.2
148.01740	0.3
156.02119	0.2
157.02968	0.2
159.00920	0.2
160.01651	1.5
162.03227	0.2
163.04057	0.3
168.00728	0.1
169.01483	1.6
171.00903	0.4
172.01678	8.2
173.02386	1.0
176.01266	0.2
177.01915	0.2
185.02470	1.3
187.00349	0.6
188.01204	1.2
190.02678	0.5
191.03477	0.2
199.00415	0.8
200.01172	3.8
201.01930	1.0
202.99821	0.1
213.01930	0.2
214.99940	0.6
216.00662	6.0
217.01111	0.5
221.11980	0.2
223.80840	0.2
226.99869	1.1
228.00633	6.3
229.01324	2.1
242.99336	1.9
244.00125	8.0
245.00761	1.1
245.11906	0.2
254.99504	0.8
256.00125	0.4
257.00986	1.0
270.98859	8.8
271.04465	0.4
271.99625	7.8
273.00098	0.6
275.01962	0.3
282.98877	5.7
283.99637	1.5
298.98358	23.4
299.99121	100.0
300.99857	63.7
302.00275	4.5
313.05667	0.4
339.44229	0.2
359.10641	0.2
362.02695	0.5
376.02579	0.3
407.00549	0.2
425.01553	14.8
425.10342	2.3
426.01889	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10532	0.3
51.26318	0.3
59.01382	0.4
64.60447	0.3
79.95745	5.2
96.96017	100.0
97.95972	0.5
108.02164	0.5
108.54864	0.3
110.97511	0.4
112.91004	0.3
115.17149	0.3
116.02685	0.7
125.02448	0.5
132.02193	1.4
137.02457	0.8
144.02182	2.7
145.02974	0.5
150.03299	0.5
157.02965	0.6
160.01688	1.4
165.13547	0.3
166.09723	0.3
169.01526	0.5
171.00916	0.6
172.01682	9.1
172.03101	0.7
172.64799	0.4
173.02301	1.0
178.02711	0.5
185.02449	1.8
187.00388	0.8
188.01196	1.0
190.02719	0.9
192.56505	0.3
199.00343	1.6
200.01155	4.8
201.01842	1.4
213.05586	0.5
214.99847	0.8
215.88486	0.4
216.00641	6.6
217.01154	0.8
226.99895	1.5
228.00635	6.3
229.01332	2.4
241.04990	2.2
242.99300	2.1
244.00136	9.0
244.02536	0.7
245.00871	1.6
245.07864	0.3
254.99274	0.9
256.00104	0.7
256.07327	0.3
257.00870	1.0
270.98831	9.4
271.99597	7.9
272.07306	0.3
273.00037	0.9
282.98865	6.1
283.99643	6.1
285.00446	4.5
286.00671	0.6
287.05344	0.3
298.98352	21.9
299.99124	99.5
300.99860	62.4
302.00241	4.8
315.08655	0.8
345.09903	0.4
418.30362	0.4
425.01279	16.7
425.05652	23.7
426.00867	2.6
426.05984	1.8
446.42542	0.3
446.96408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01077	0.3
59.01373	0.7
63.44112	0.3
68.27026	0.3
79.95745	5.2
94.49617	0.3
96.96021	100.0
107.01372	0.3
108.02213	0.3
110.97620	0.6
111.57040	0.2
119.05055	0.3
125.02416	0.4
137.02457	0.9
144.02214	0.3
163.04015	0.5
169.01469	0.7
172.01675	1.6
200.01201	0.8
216.00684	0.8
228.00705	0.9
229.01347	0.4
230.20038	0.3
241.05161	1.7
242.05745	0.3
244.00272	1.0
270.98996	1.2
271.99582	1.3
282.99017	0.8
283.99771	0.8
285.00330	0.6
285.04205	0.4
298.98425	3.5
299.99133	15.5
300.06366	0.8
300.99902	9.1
301.07324	0.5
302.00198	0.6
315.08771	0.8
345.10248	0.4
420.76471	0.3
425.05695	25.8
426.06024	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	425.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80493	0.7
59.01382	6.6
61.98822	0.7
69.03460	1.4
71.01373	2.2
71.11122	1.0
83.05049	1.0
84.23814	0.7
85.02964	15.1
87.00890	3.8
93.03473	6.7
98.99426	1.1
99.04483	0.9
101.00961	1.0
107.01410	3.6
109.02945	1.4
111.04530	1.3
113.02465	1.4
115.18716	0.6
117.00469	1.6
123.00902	2.0
124.01661	2.3
125.00981	1.6
125.02463	9.8
126.98925	2.6
127.02517	2.0
127.04050	3.1
130.69571	0.7
137.02472	2.2
141.00452	4.1
141.04156	1.0
143.01994	1.4
147.03104	1.2
149.00977	1.2
151.02522	3.2
153.00441	1.1
157.03554	2.0
161.02362	0.8
163.02551	1.6
165.00470	7.6
167.02037	2.6
168.00546	0.8
168.99948	7.1
169.01447	16.1
169.03624	2.8
171.03015	1.2
173.04599	1.8
177.02023	0.8
178.98315	0.9
181.03603	0.9
183.05139	1.1
189.00537	2.0
191.02005	3.3
191.05632	100.0
192.06007	3.1
193.03629	1.3
195.01501	17.1
196.01703	1.5
201.02557	3.2
207.01448	5.5
208.99437	6.8
211.00983	2.4
213.02612	1.0
215.02008	1.0
225.02525	2.2
231.03619	2.5
233.03012	1.0
237.02760	1.1
251.00485	4.0
255.03601	3.9
261.02625	2.2
273.04691	63.3
274.04852	7.7
299.99258	1.6
302.59116	0.9
337.04218	7.5
338.04672	1.0
365.03644	29.7
366.03815	3.9
383.04733	8.4
407.00201	1.1
425.05896	69.1
426.05783	9.9
426.10696	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	425.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01225	0.6
55.01887	0.7
59.01387	3.1
63.81802	0.6
68.99819	1.1
69.03458	0.7
69.65759	1.2
69.66122	1.0
71.01381	7.9
73.02951	0.7
79.01893	1.1
81.03460	0.7
83.01408	2.2
85.02979	0.8
87.91160	0.6
89.02483	0.8
95.01398	1.8
97.02956	1.4
97.94743	0.6
98.22630	0.6
99.00881	0.7
101.02457	2.2
107.01394	11.2
109.02977	1.3
109.18021	0.5
111.00893	6.1
113.02467	2.5
123.00906	8.9
123.04482	0.7
124.01681	5.7
125.02457	66.9
126.02804	2.0
127.00405	1.3
136.01740	0.5
136.98827	0.8
137.02446	0.8
139.00394	2.1
140.01190	1.3
141.01915	1.2
151.00375	8.3
151.04039	0.6
153.01970	1.2
153.51924	0.5
153.60690	0.5
163.04276	0.6
167.03561	1.1
168.00642	2.6
169.01442	100.0
170.01819	2.8
175.04062	1.2
177.01974	0.6
178.77901	0.6
179.03424	0.7
187.04010	0.7
211.02483	1.8
223.02431	0.7
241.03535	4.7
244.00171	0.8
253.03676	0.7
255.03148	0.8
298.98206	1.0
299.99146	6.3
300.99884	4.4
313.05682	32.4
314.05994	2.2
396.09418	1.4
397.08047	0.7
407.00681	0.8
407.07684	3.3
408.09213	2.3
425.01880	4.6
425.07248	80.1
426.07861	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	425.1823
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
51.01315	2.5
52.50384	2.8
53.61899	3.1
59.01383	24.0
61.98840	6.8
66.91315	3.3
71.01379	14.9
75.00877	23.4
79.92305	2.8
82.39712	2.8
85.02969	5.1
89.02421	4.8
95.05018	3.7
96.96021	8.9
97.02941	8.1
101.02457	12.2
108.05851	5.5
109.02949	5.2
111.04491	6.0
113.02509	4.6
113.06128	6.5
117.03465	3.1
119.03703	3.8
119.05034	100.0
119.94265	3.1
120.38462	3.1
122.03735	3.6
123.08191	10.3
125.02491	6.4
125.06070	18.7
133.02982	6.9
135.03004	70.3
136.05339	6.7
137.06099	5.8
138.06853	9.5
139.07678	24.0
148.05325	3.4
151.07681	41.5
152.04796	6.4
152.08429	13.8
153.09181	17.4
161.02478	24.0
163.02711	5.2
163.04036	76.5
163.07700	3.5
164.04305	4.7
166.56520	3.7
169.01436	5.2
185.11850	3.0
187.03870	4.2
187.07622	8.0
201.12842	12.7
202.06354	4.3
203.10765	8.2
204.11539	23.0
210.62648	3.8
219.13887	39.3
244.00284	3.3
245.00896	3.7
245.11841	14.3
263.12891	59.6
264.13297	5.2
270.98853	3.8
275.02112	7.0
275.09174	5.0
287.12924	3.6
299.99158	22.5
300.99854	25.5
307.11896	6.8
359.07968	3.3
425.01541	12.9
425.14526	13.0
425.19339	4.7
426.14606	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	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
62.96127	1.0
68.58015	1.1
71.01379	2.3
73.67432	1.0
85.83698	0.9
131.95021	1.0
135.44904	1.0
177.12932	1.0
183.13905	10.4
195.13904	23.2
196.14282	1.8
203.52579	0.9
205.52264	1.0
211.13405	33.1
212.13750	1.7
213.15002	8.8
223.13522	1.2
291.19757	1.5
299.13419	1.1
299.99170	2.6
309.20688	7.7
315.27029	2.7
359.25888	3.6
359.30246	1.5
377.26895	2.6
425.01630	2.0
425.29126	100.0
426.29559	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	425.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
70.91092	0.5
72.85709	0.4
73.59286	0.4
83.05023	0.6
99.56091	0.5
122.27828	0.5
128.70003	0.5
167.14391	0.7
177.12790	0.7
182.92412	0.5
183.13911	10.8
184.14299	0.8
193.12289	1.1
195.13916	22.0
196.14291	1.4
211.13412	32.3
212.13780	2.5
213.14944	8.6
219.51187	0.5
253.02654	0.5
291.19797	0.5
309.20615	0.7
315.26996	3.6
341.24796	0.8
342.16727	0.5
359.25998	3.0
377.26971	3.3
395.28113	1.1
407.28067	1.5
425.29126	100.0
426.29492	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	426.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.7
65.00324	0.4
71.01382	1.7
71.40390	0.5
72.99294	0.5
78.01121	1.2
81.03446	0.5
82.00611	0.5
83.01418	0.7
85.02943	0.7
86.00095	0.4
86.59922	0.4
87.00897	0.5
89.02443	0.5
94.03019	0.7
97.03034	0.5
101.02466	0.6
104.05102	0.4
107.01398	21.4
109.02953	0.6
110.00094	0.5
111.00890	2.3
113.02449	0.6
123.00893	2.6
123.04513	0.6
124.01678	16.6
125.02467	44.8
126.02826	1.5
127.00417	0.8
135.04510	0.4
136.98824	1.8
137.02515	0.9
139.00398	3.1
140.01170	3.8
141.01959	0.4
145.01514	0.4
151.00385	0.7
152.01233	0.5
153.01964	0.7
156.04605	0.5
158.06137	0.6
162.94635	0.4
168.00674	4.1
169.01442	100.0
170.01793	4.6
171.30116	0.4
172.97673	0.9
175.04059	1.2
184.04025	0.4
187.02760	0.9
192.77618	0.5
202.05124	3.5
211.02519	3.9
218.60886	0.5
246.04070	2.8
271.04593	6.5
278.95947	0.5
285.06207	1.1
300.99753	0.5
313.05518	1.0
331.06839	0.6
384.79538	0.4
408.09476	1.4
426.01697	1.6
426.10486	24.4
427.10880	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	426.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
66.49704	0.3
71.01386	1.1
78.01113	1.2
79.01893	0.4
82.00595	0.7
83.01388	0.3
83.97498	0.3
85.14482	0.3
89.02457	0.3
89.70203	0.3
94.03022	0.4
96.99350	0.3
97.02949	0.3
101.02415	0.5
106.00623	0.3
107.01397	18.2
108.01746	0.6
110.00119	0.3
110.38249	0.3
111.00906	2.0
113.02447	0.9
117.70033	0.2
119.57375	0.3
123.00868	0.9
124.01670	20.6
125.02458	41.7
126.02799	1.5
127.00381	0.9
130.06653	0.4
136.98824	1.7
137.02422	0.7
139.00375	1.7
140.01195	3.1
145.90314	0.3
147.04482	0.5
151.00348	0.5
151.47057	0.3
154.99863	0.4
156.04637	0.7
158.06059	0.6
168.00658	3.3
169.01437	100.0
170.01781	3.8
174.05577	0.7
175.04031	1.0
184.04094	0.9
187.02722	0.7
202.05086	3.8
211.05006	0.3
220.04008	0.3
246.04074	3.8
300.99969	0.3
381.90076	0.3
426.10440	23.8
427.10892	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	427.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97145	0.4
59.01382	11.0
61.98830	2.2
63.17924	0.4
66.40814	0.5
71.01390	14.8
72.99306	0.6
73.02962	3.4
73.42358	0.5
75.00847	0.6
83.01408	0.7
83.05043	1.3
85.02958	2.0
89.02455	2.0
96.96002	2.5
101.02450	2.4
109.02973	1.1
113.02457	1.8
115.00393	9.4
119.03542	0.7
123.00891	0.6
125.02459	1.5
133.01439	1.9
135.04506	1.1
135.11763	0.7
137.02464	2.6
146.03793	2.5
151.07536	0.5
158.03749	0.6
159.04523	4.3
159.08171	1.4
161.04663	0.7
161.09703	0.6
169.01424	1.4
172.05322	9.6
173.06105	12.7
174.03317	0.7
174.06892	8.1
175.07683	3.7
179.10831	2.8
185.09714	0.7
187.04198	3.5
187.07661	87.4
188.07986	4.8
201.05605	7.1
201.09160	0.9
202.06381	28.9
202.09950	4.0
203.06798	2.4
203.10765	7.0
204.04260	0.6
204.11131	0.6
205.08818	0.6
205.12250	0.9
213.09103	2.6
216.07904	2.4
222.50740	0.5
223.09781	2.0
229.08742	1.0
231.10275	100.0
232.10622	7.5
247.09790	2.7
265.14621	0.5
273.07953	0.6
275.09271	11.9
276.09659	1.2
276.64352	0.5
323.47809	0.5
341.09125	0.8
426.29703	1.5
427.07147	0.7
427.15237	2.8
427.20465	1.5
427.30185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98812	1.1
67.31331	0.7
71.01390	11.7
73.02938	1.2
89.02460	0.8
91.58022	0.7
98.22710	1.3
101.02447	1.5
109.02948	1.4
115.00385	8.3
119.03403	0.6
125.02458	1.4
133.01418	1.7
137.02454	1.2
146.03755	2.0
149.06137	0.7
158.03726	1.2
159.04515	3.8
159.08144	0.7
169.01392	1.1
172.05316	10.1
173.06073	12.5
174.06874	9.5
175.07646	3.6
179.10762	2.1
187.04187	4.1
187.07664	87.5
188.08075	4.7
201.05589	6.5
202.06380	29.6
202.10016	4.2
203.06810	3.0
203.10771	6.2
213.09184	2.5
216.08006	2.1
223.09758	1.2
231.10277	100.0
232.10634	6.9
275.09259	11.3
276.09760	0.8
374.45581	0.6
427.07312	1.4
427.15948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18874	0.6
52.96507	0.5
59.01117	0.8
59.01384	6.1
63.82293	0.5
66.43300	0.6
67.01886	0.5
70.77457	0.8
71.01382	2.3
77.78963	0.5
80.91859	0.5
85.02932	0.6
87.00848	0.5
89.02453	1.4
90.08271	0.6
101.02444	0.6
107.01404	3.6
111.00864	1.4
113.02435	1.8
113.75501	0.6
119.03503	0.6
123.00913	3.5
124.01670	13.8
125.02465	21.1
125.56709	0.6
126.02756	1.0
127.00410	1.1
136.98781	1.6
139.00380	1.9
139.04083	0.6
140.01176	2.4
151.00372	0.9
165.01926	0.9
166.92117	0.6
166.99899	0.7
167.03496	1.1
168.00659	13.6
169.01437	30.3
170.01787	1.1
175.04065	0.7
211.02490	56.1
212.02832	3.2
241.03436	0.9
271.04611	100.0
272.04965	6.0
331.06747	9.5
332.07098	0.9
391.98355	0.7
428.11935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53723	0.6
59.01382	4.6
61.89096	0.5
63.42418	0.5
71.01382	2.1
95.01385	1.1
107.01408	3.2
111.00892	1.4
113.02458	1.2
113.70033	0.6
116.32475	0.5
117.51918	0.7
123.00917	4.0
124.01669	13.9
125.02471	21.8
126.02807	1.0
139.00343	1.2
139.04057	1.2
140.01207	1.7
151.00372	1.3
166.99869	1.2
167.03493	1.1
168.00665	12.8
168.99962	1.2
169.01442	30.4
170.01765	2.7
211.02499	50.9
212.02850	2.5
223.36534	0.6
241.03629	1.6
271.04614	100.0
272.04962	5.7
313.05780	1.0
331.06790	8.7
332.07092	1.0
427.08585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.1
59.01383	1.4
69.36422	0.5
69.66174	1.8
71.31514	0.6
74.96590	0.5
79.95747	1.5
96.96024	100.0
104.55704	0.5
105.09212	0.6
107.01383	0.9
111.00932	0.6
116.92910	0.5
123.00932	0.9
125.02467	1.5
155.56140	0.5
168.51601	0.7
169.01416	1.1
239.77373	0.6
249.09264	0.6
259.17017	1.2
269.91388	0.6
272.69748	0.8
275.06677	1.4
331.87598	0.6
351.07031	0.7
366.21094	0.5
427.10751	53.2
428.11090	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	427.143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	8.7
69.08288	3.6
69.08714	2.8
82.20941	0.9
84.93891	2.9
99.92595	43.5
100.27198	0.9
100.92679	2.4
100.93371	29.4
102.02493	0.9
115.06902	1.0
115.92089	45.4
116.92875	100.0
117.92879	4.1
117.93647	1.1
118.45221	0.9
118.90016	2.1
120.36581	1.0
127.16595	0.9
141.65793	1.0
164.88261	0.9
184.60564	0.9
269.08914	1.2
293.04874	12.0
294.05490	2.5
307.03003	0.9
322.05154	10.8
323.05258	1.1
327.21848	2.1
373.11102	14.5
374.11362	2.1
387.09152	2.2
391.12283	13.8
392.12497	2.2
405.10135	2.9
406.10492	1.4
409.13412	2.8
427.14294	17.5
427.19424	1.9
428.15015	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94267	0.7
59.01385	62.0
60.01726	0.8
71.01025	1.5
71.01385	19.0
72.25410	0.7
72.99297	1.5
73.02571	1.0
73.02955	11.8
73.41172	0.7
81.46698	0.7
83.01387	3.9
85.02961	5.3
87.00858	0.7
89.02457	8.0
95.01369	2.1
95.13997	0.8
97.02943	0.8
99.00877	1.4
101.02459	11.0
109.02949	1.2
113.02461	7.0
115.00369	6.2
117.03481	22.7
119.03517	3.2
119.05026	7.5
120.87739	0.7
123.00877	1.4
123.08207	0.9
124.01639	0.9
125.02456	3.8
133.01422	3.8
134.03760	1.5
137.02461	1.2
143.03493	0.8
145.02969	100.0
146.03300	4.4
147.04559	1.2
151.07628	1.4
152.08418	2.0
153.09244	7.6
161.02492	1.2
161.04562	2.8
163.04027	11.2
169.01457	2.8
176.04776	6.3
177.09201	7.1
178.09567	1.0
179.05681	1.0
179.10860	0.7
187.07724	2.1
187.11278	1.6
190.06471	1.1
202.06367	1.1
205.08727	10.5
205.12332	6.1
231.10323	1.3
241.27281	0.8
247.13400	1.5
249.11305	13.6
255.84856	0.9
265.14603	1.1
267.12347	10.8
300.99945	1.4
311.11444	1.3
359.84451	0.8
367.17795	3.4
408.57013	0.8
427.16354	40.4
428.16711	5.1
433.39679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82183	1.2
59.01385	100.0
65.98503	1.4
69.87389	2.8
89.02449	1.7
91.04016	3.4
141.92923	1.4
146.64778	1.6
252.24553	1.5
293.21271	13.0
295.22824	2.4
311.22250	3.3
336.43909	1.5
360.19785	1.5
427.26913	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	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77154	3.0
59.01384	100.0
61.17293	2.5
71.01347	2.6
95.10680	2.5
98.11662	2.6
103.04745	2.9
138.93069	2.5
164.67549	2.5
202.59813	2.6
293.21387	12.6
360.17160	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	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	73.1
68.46904	39.9
70.93609	69.4
107.18113	47.7
134.13107	44.3
203.01202	39.7
230.28673	41.2
311.22339	74.2
341.42642	49.1
383.60333	47.6
427.27505	100.0
448.83636	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.79782	34.4
61.98844	57.7
70.87093	49.4
104.82496	35.0
131.28868	33.4
146.54436	33.5
157.43901	40.9
201.91103	37.5
221.15604	78.9
253.22293	41.8
256.23337	34.0
308.72141	35.9
427.27686	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24884	2.0
59.01388	43.1
69.42242	8.0
71.01394	23.8
73.02948	4.3
73.55994	1.8
77.83141	1.6
85.02956	6.9
89.01037	1.6
89.02460	15.9
95.01368	2.2
95.28014	1.5
96.96004	4.1
98.22572	2.5
101.02457	14.6
113.02457	9.2
119.03530	9.5
121.06535	2.2
125.02483	3.3
131.03481	4.3
143.03516	1.9
161.04575	12.5
161.09727	1.8
163.11336	18.0
169.01358	2.6
175.09898	2.0
175.11292	8.0
179.10664	1.8
187.11250	3.9
190.04350	1.7
205.04929	2.1
205.12352	100.0
206.12651	5.5
221.06670	13.4
322.32233	1.9
367.17575	3.4
427.85910	2.0
428.13007	3.5
428.20032	3.5
429.14142	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	428.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	89.3
69.21237	44.7
71.01395	69.4
73.02934	20.5
76.84785	7.9
85.02966	25.2
85.46910	8.4
89.02462	45.1
101.01871	7.2
101.02441	44.0
108.02184	61.3
109.02935	45.3
111.00899	8.4
113.02457	31.9
119.03513	13.9
121.02985	8.2
123.00867	16.0
123.04474	9.6
124.01656	22.4
125.02441	26.8
135.03015	8.9
138.06871	15.0
151.00375	18.4
151.07623	11.1
152.01141	77.6
152.08380	18.0
153.01901	18.0
153.09218	78.6
161.02438	9.8
161.04582	43.4
169.01462	37.7
170.01817	9.8
176.04784	9.8
179.05621	9.6
205.12338	27.0
211.02554	9.7
223.13434	36.0
249.11368	19.2
250.11650	11.4
315.07266	100.0
385.18625	85.2
386.19040	11.3
412.42441	9.1
418.15729	8.6
428.12808	38.6
428.25671	8.5
428.32761	7.6
429.14294	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98845	13.4
71.01387	47.0
73.02956	8.0
76.55109	4.6
82.49858	4.5
85.02980	13.7
87.00885	10.0
89.02453	40.2
93.03466	8.1
99.04486	5.1
101.02451	17.7
113.02469	23.5
119.03522	11.3
121.02939	8.3
123.00910	7.2
125.02401	5.2
125.70957	4.9
128.21227	4.7
133.05531	5.7
134.03734	7.8
137.02440	6.8
139.04024	67.0
143.03482	6.2
143.58530	5.5
149.04599	9.3
161.04556	5.2
179.05598	6.3
202.86150	4.7
205.12358	11.7
211.36897	4.8
249.11336	13.1
377.97430	5.5
385.18637	7.3
421.91162	4.9
428.15173	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	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50074	9.0
53.76181	8.3
59.01377	100.0
61.90536	6.8
61.98827	25.1
62.02022	6.9
65.66893	7.0
69.18771	46.3
71.01382	25.5
74.32622	6.4
76.64769	6.7
87.00890	9.6
89.02455	26.8
91.21420	8.1
98.22639	12.6
101.02460	16.2
113.02399	17.3
118.63125	8.5
119.03468	16.6
125.02460	12.7
152.01199	6.6
169.01414	15.6
187.11247	22.5
205.12242	11.0
223.13448	56.4
249.11346	9.7
267.12494	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	60.9
61.57347	7.0
64.10264	6.4
70.77617	8.7
70.77971	14.7
71.01385	56.8
73.02952	16.3
85.02950	26.2
89.02452	34.6
101.02447	39.4
108.02169	7.0
109.02981	6.9
113.02433	35.9
119.03494	9.7
123.00867	15.2
125.02467	16.5
138.06859	10.4
139.07687	8.1
151.07616	22.4
152.01161	11.8
152.08418	30.0
153.09233	100.0
161.02455	12.3
161.04597	41.9
169.01372	26.3
171.15158	6.6
179.05612	7.9
205.12379	39.0
223.13371	39.7
241.72731	8.1
315.07184	13.8
374.06018	6.9
385.18692	85.6
406.65894	7.4
428.12854	8.4
429.14297	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0832
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
56.32835	0.3
59.01388	3.4
61.98829	0.3
69.41585	1.6
71.01369	1.2
73.02959	0.4
85.02959	0.4
89.02456	1.1
90.15431	0.3
96.96016	0.3
97.23672	0.3
98.22701	0.6
101.02442	0.9
105.02893	0.4
119.03510	0.7
123.04531	1.4
125.02372	0.4
166.05072	0.8
176.01218	0.5
187.07722	0.5
199.04123	0.4
200.01218	0.4
202.06311	0.6
210.03230	0.3
226.02660	1.0
227.03479	1.0
229.01366	0.4
230.99391	1.0
231.10263	0.8
232.00127	1.1
239.03510	0.5
241.01486	0.6
241.05113	0.6
242.02298	0.6
244.00230	0.5
245.00841	0.7
249.11398	0.7
253.01500	0.8
253.05051	1.2
254.02187	0.8
254.05806	0.8
255.02965	1.2
255.06577	0.9
256.03729	0.3
267.02988	1.2
267.06482	0.6
268.00128	0.8
268.03851	0.7
269.00940	4.7
269.04214	0.8
269.08084	0.4
270.01675	0.7
270.98856	1.3
271.02347	0.9
271.99692	0.5
272.12994	0.5
279.06738	0.5
281.00967	1.7
281.04651	1.2
281.08331	0.4
282.01761	1.3
282.05081	0.6
283.02527	1.0
283.06128	2.1
283.99710	1.6
284.03244	0.7
285.00452	1.4
285.03958	0.5
295.02573	1.9
296.03287	1.0
297.00388	3.4
297.04041	2.4
297.07648	0.9
298.01260	5.3
298.04428	0.7
299.01886	1.4
299.05414	0.8
299.99265	0.5
303.01410	1.2
309.00571	0.6
309.04034	1.0
310.01321	0.5
310.04770	0.8
311.01996	6.3
311.05322	0.8
312.02853	2.5
313.03543	0.5
315.13458	1.0
323.05490	0.4
323.99176	4.5
324.02716	0.7
324.99854	2.9
325.03531	14.2
325.07111	1.3
326.00497	0.7
326.04022	1.9
327.01468	2.2
327.05090	1.3
335.02048	0.5
338.00720	0.5
339.01407	1.3
341.06580	1.6
342.03705	0.5
342.07541	0.4
352.98608	0.6
353.03055	19.7
353.06757	1.8
354.03397	2.0
369.06195	2.7
397.05670	33.4
398.06064	4.2
429.08292	100.0
430.08627	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	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82360	0.5
55.01877	1.1
57.03457	0.8
59.01129	0.6
59.01391	7.3
67.01897	0.8
69.03456	1.2
69.48444	2.6
71.01398	5.8
73.02951	2.5
78.16632	0.5
78.86695	0.5
79.01911	1.0
81.03445	0.7
83.01404	1.0
85.02967	2.3
87.17806	0.5
89.02451	1.7
89.73562	0.6
95.01402	2.2
96.96027	1.2
97.02966	1.3
99.00933	0.8
101.02444	4.0
103.56863	0.6
105.01954	0.7
107.01394	5.1
111.00882	1.4
113.02474	2.0
115.04026	2.0
123.00906	16.9
124.01700	9.5
125.02463	21.4
133.02910	0.6
135.04527	1.9
136.92589	0.5
136.98790	0.8
139.00386	2.5
140.01155	2.0
141.01938	2.8
151.00374	10.7
153.01837	0.6
161.02454	1.3
161.04478	0.6
168.00632	4.8
169.01445	28.5
169.57652	0.5
170.01740	1.1
205.75201	0.5
211.02495	9.0
271.04639	14.0
272.04959	1.4
313.05652	2.3
323.07764	0.8
331.06662	0.9
337.03360	0.6
349.06055	2.0
360.29779	0.5
382.52829	0.6
429.10394	100.0
430.10748	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	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84204	0.6
59.01112	1.2
59.01380	9.6
62.32146	0.6
66.54270	0.6
71.01394	5.6
79.01888	0.8
85.02956	1.5
88.70508	0.7
89.02468	2.2
95.01405	0.8
96.96024	3.8
101.02453	2.1
107.01391	6.0
111.00893	1.6
113.02461	1.4
119.03509	1.1
121.02913	0.8
123.00890	7.8
123.04518	0.6
124.01675	16.9
125.02459	31.4
126.02782	1.4
126.29998	0.7
127.00253	0.6
135.04539	6.6
136.98825	0.9
139.00385	1.9
140.01161	2.3
151.00354	4.0
165.01973	0.8
167.03572	1.5
168.00668	14.6
169.01440	45.5
170.01804	2.0
179.03511	0.8
185.34644	0.7
210.05276	0.6
211.02492	63.4
212.02924	3.2
218.65819	0.6
241.03546	1.7
271.04614	100.0
272.04956	5.9
313.05774	0.8
331.06784	10.3
349.06119	5.2
367.00931	1.5
385.01816	1.0
429.10382	46.5
430.10843	6.8
449.06705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47861	0.9
56.84382	0.8
57.29237	0.9
59.01386	8.1
70.89276	2.0
71.01392	4.1
85.02969	1.1
89.02451	2.2
95.01406	1.4
101.02493	1.3
107.01402	5.4
111.00822	1.2
113.02481	1.6
123.00908	7.5
124.01672	18.1
125.02470	30.4
126.02756	1.2
136.98802	1.1
139.00383	1.8
139.03958	0.9
140.01201	1.5
141.01985	1.6
151.00394	3.4
167.03522	2.1
168.00664	15.7
169.01456	42.4
170.01817	2.1
192.71193	0.9
211.02502	64.9
212.02872	2.6
241.03587	2.8
271.04623	100.0
272.04944	5.9
274.54419	1.0
331.06744	9.2
338.30795	1.0
342.69449	1.0
349.06027	1.7
354.70908	1.1
363.11649	1.2
385.75616	1.0
429.04483	2.1
429.10397	40.3
430.10602	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92496	0.7
51.80997	0.7
53.64645	0.6
56.42672	0.5
58.00599	0.7
59.01386	12.6
67.01894	0.8
69.03477	0.6
71.01382	7.3
71.40948	0.5
73.02960	2.0
74.04746	0.5
79.01911	1.2
80.47063	0.5
83.01385	0.8
85.02956	3.2
87.00900	4.9
88.65306	0.6
89.02472	2.9
95.01392	1.9
96.96024	2.3
97.02965	1.0
97.48669	0.7
99.00900	1.4
101.02465	3.5
107.01395	8.6
108.02264	0.8
110.00080	0.9
111.00882	2.1
113.02460	2.4
115.04015	2.2
117.01942	1.2
119.03515	0.7
123.00907	15.4
123.04438	0.7
124.00750	0.8
124.01671	20.0
125.02464	41.1
126.02800	1.3
127.00360	0.8
128.03600	0.8
133.01453	0.7
135.04532	4.0
136.98810	1.9
137.02473	1.0
139.00398	3.1
139.04025	1.0
140.01161	4.1
141.01958	2.1
145.01460	3.8
149.02501	0.7
151.00378	8.0
161.02444	1.4
163.02466	1.3
165.01952	1.3
167.03477	1.8
168.00665	15.9
169.01440	62.5
170.01784	2.2
179.03488	1.2
183.02983	0.9
207.06909	0.6
211.02492	67.8
212.02826	3.0
223.02400	0.8
241.03703	2.7
270.49106	0.7
271.04608	100.0
272.04922	5.3
310.95197	0.6
313.05646	1.5
323.07712	0.6
331.06714	10.7
332.07175	0.9
429.10370	80.7
430.10477	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	429.1405
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
53.58677	0.8
55.01878	1.0
59.01382	17.0
60.41682	0.8
67.01856	1.4
69.03468	1.1
69.41587	2.5
69.70671	0.7
71.01386	8.5
73.02936	1.8
75.00896	1.8
79.01884	1.2
81.03455	0.9
83.01391	0.8
85.02944	2.9
87.00882	1.4
89.02457	5.2
95.01411	2.2
96.95998	3.1
97.02991	1.3
98.21846	1.3
101.02467	4.6
107.01391	6.2
109.02996	1.3
111.00878	1.8
113.02459	3.4
119.03468	1.1
123.00896	16.5
123.04529	1.2
124.01676	14.0
125.02466	23.3
133.02963	2.9
134.03737	1.0
135.03021	4.6
135.04535	1.0
136.98779	1.6
138.97087	0.7
139.00398	2.5
139.04022	0.9
140.01172	3.2
141.01956	2.0
149.05962	0.8
151.00385	10.8
152.01184	1.8
153.01927	1.3
161.02455	11.1
161.04576	1.5
161.34703	0.8
163.04021	1.0
167.03494	0.8
168.00656	7.4
169.01437	34.1
170.01788	1.3
176.04861	1.1
177.09229	1.1
177.82205	0.7
179.05574	1.0
182.38202	0.7
198.87679	0.8
205.08649	2.1
211.02480	25.7
212.02823	1.2
231.10172	0.9
249.11382	4.3
267.12405	2.0
271.04617	39.4
272.05011	2.5
283.68970	0.8
313.05560	1.5
315.07150	2.2
331.06750	5.4
332.07108	0.7
380.35840	0.8
411.13055	0.9
429.14050	100.0
430.14420	9.6
439.46942	0.7
442.16397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20589	1.3
61.98839	14.6
62.71810	1.4
69.52514	6.9
73.70994	1.5
84.93879	3.1
85.49270	1.4
99.92601	49.3
100.92670	3.5
100.93375	31.9
104.56401	1.4
110.03174	1.6
115.92085	53.9
116.92168	4.2
116.92871	100.0
117.92867	4.3
118.89970	2.5
141.07852	1.7
165.56508	1.6
179.44321	1.4
254.78993	1.6
269.08807	1.5
293.04947	13.3
293.75830	1.5
310.04932	2.2
311.05917	1.8
312.02310	2.1
329.23346	3.7
375.12802	19.5
376.12943	2.1
389.10706	2.1
393.13724	27.7
394.13904	4.0
407.11688	9.9
411.14664	4.4
429.11343	2.2
429.15961	22.3
430.16721	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03447	0.7
58.00599	0.5
59.01385	100.0
60.01728	1.1
67.49850	0.2
69.03461	0.6
71.01387	13.0
72.34684	0.2
72.99316	0.8
73.02953	17.3
74.03295	0.3
76.09262	0.2
83.01413	1.0
85.02959	5.7
86.00122	0.7
87.00877	4.7
87.04513	2.0
89.02454	10.9
95.01406	0.7
97.02988	0.5
99.04566	0.3
99.72915	0.3
101.02453	18.0
102.02775	0.4
103.04023	8.6
113.02448	2.6
115.04014	4.7
115.04782	0.4
119.03522	5.0
123.00896	0.3
125.02442	1.5
127.04055	0.9
128.43184	0.2
131.03510	4.3
134.03732	0.2
138.06908	1.2
143.03517	5.0
145.05074	2.7
153.09235	2.9
161.04601	0.9
163.06142	14.3
164.06519	0.7
179.05617	0.3
189.58034	0.2
190.72411	0.3
205.07195	9.9
205.12425	0.7
206.07599	0.7
206.12770	0.2
225.14972	4.8
225.17039	0.4
265.09360	0.3
369.19128	1.6
387.20490	0.3
429.14117	0.5
450.78839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48527	0.6
51.72285	0.6
55.01889	1.1
57.03450	1.3
58.00600	1.6
59.01383	100.0
64.82011	0.5
65.43164	0.5
69.03461	0.9
71.01389	37.8
72.01721	0.7
72.99317	2.3
73.02952	12.5
75.00881	0.9
75.14292	0.6
81.03495	0.7
83.01392	2.9
85.02958	13.2
85.55560	0.7
86.00103	1.6
86.03352	0.6
87.00884	7.2
87.01385	0.6
87.04529	2.0
89.02451	40.2
90.02818	0.6
95.01405	2.4
97.02966	0.9
99.00916	0.6
101.02450	31.6
103.04025	7.7
104.04276	0.6
107.27984	0.6
109.02978	0.9
113.02460	12.4
114.02818	0.8
115.04023	6.7
119.03515	19.7
120.03934	0.8
123.00915	1.2
124.01703	1.1
125.02472	2.5
127.04047	0.8
131.03510	8.8
131.04333	0.8
134.03793	1.3
135.04613	0.7
139.03972	0.6
143.03505	12.3
145.05084	2.9
149.04588	1.3
161.04581	3.2
161.96974	0.6
163.06137	20.7
169.01482	2.2
174.39977	0.6
179.05618	4.7
205.07202	19.4
205.12465	0.7
206.07498	1.0
238.80746	0.6
247.08241	3.9
249.11427	0.8
263.08386	0.6
288.02908	0.7
359.06561	0.7
367.00949	0.8
429.13861	4.4
429.18567	4.9
430.18304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06767	1.0
51.89721	0.9
55.01877	1.8
57.03445	1.2
59.01386	100.0
60.01749	1.1
60.75014	0.9
65.04090	0.9
65.57938	0.9
70.08934	1.0
70.27764	2.5
71.01393	33.2
71.01794	1.8
73.02940	1.5
76.59464	1.1
81.07095	2.9
83.01399	2.3
83.10452	1.0
85.02974	5.6
87.00902	1.4
89.02454	37.2
90.74800	1.1
94.81275	1.0
95.01410	2.5
99.04553	3.7
101.02455	17.1
102.03941	1.0
111.04547	1.5
113.02472	13.7
119.03520	13.0
125.02463	1.6
135.11841	1.3
143.03494	2.0
149.04550	1.2
161.04588	2.5
161.13365	30.9
162.13750	2.0
170.30907	0.9
179.05644	3.3
187.11349	1.2
205.12361	43.1
206.12729	3.7
223.13408	3.8
249.11330	36.5
249.13939	1.8
250.11649	3.9
267.12476	2.5
274.49615	1.1
340.94379	1.0
401.54877	1.1
429.17438	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19230	1.0
55.01878	1.2
57.03445	1.4
58.00591	2.6
59.01384	100.0
63.43674	0.9
70.70779	1.8
71.01389	47.0
72.99319	1.6
73.02950	1.7
81.07117	2.0
82.77217	0.8
83.01400	2.0
85.02955	10.0
89.02453	52.5
95.01379	3.0
99.04517	6.9
101.02448	25.3
108.04095	0.8
111.04528	4.7
113.02458	18.9
119.03514	24.3
131.03526	2.3
143.03532	2.9
149.04607	1.9
149.31458	0.8
153.92636	0.9
161.04543	2.3
161.13379	22.5
162.13771	1.1
179.05624	6.5
182.13783	0.8
187.11336	5.8
187.91066	0.9
205.12343	62.1
206.12642	5.0
239.42918	0.8
249.11336	69.3
250.11592	4.7
267.16095	1.4
316.64377	0.9
385.18723	1.5
429.16949	11.3
430.18225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53997	1.0
57.03458	1.0
58.00584	0.9
59.01385	100.0
60.01705	1.3
60.88372	0.8
69.60735	3.9
71.01388	40.5
72.01700	1.4
72.99319	1.7
73.02937	1.2
76.04047	0.9
79.50246	0.9
81.07098	2.3
83.01390	2.0
85.02944	7.2
89.02456	50.9
95.01369	3.1
98.03716	1.3
99.04522	7.1
101.02448	21.8
104.36958	0.9
113.02457	17.1
114.87701	1.1
119.03513	21.6
126.07714	1.0
128.92763	0.9
131.03435	2.3
143.03488	3.0
149.04593	1.8
151.49138	1.0
161.04552	2.9
161.13374	23.7
162.13687	1.2
179.05612	5.1
180.94531	0.9
187.11301	2.7
205.12349	45.0
206.12668	3.3
249.11337	63.6
250.11726	5.4
267.12268	1.2
385.18613	1.4
429.17685	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	82.1
68.62025	1.3
69.26435	6.9
71.01390	34.4
72.99300	1.2
73.02950	1.3
75.93158	1.0
79.12815	1.1
81.07097	2.9
85.02967	5.7
87.00851	1.2
89.02455	43.6
92.02780	1.3
93.46673	1.1
95.01386	2.9
99.04553	6.1
99.52195	1.2
101.02444	19.7
111.04517	2.2
113.02458	15.5
119.03508	13.5
131.03436	1.3
135.11804	1.1
143.03493	2.1
144.90436	1.2
150.63963	1.2
161.04570	1.8
161.12143	2.0
161.13377	28.5
162.13612	1.5
179.05632	3.3
187.11246	2.6
205.12343	48.1
206.12643	4.7
249.11333	100.0
250.11652	8.3
355.85577	1.4
429.17651	36.4
430.17825	4.4
442.33929	1.2
444.03934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12886	0.3
69.52234	0.3
69.71039	0.6
69.71390	0.8
82.68448	0.3
90.75446	0.3
98.21837	0.4
98.95450	0.5
99.92584	6.3
100.93372	50.6
101.93396	2.6
115.92086	100.0
116.92091	4.1
116.92877	7.8
117.92889	0.3
118.17338	0.3
132.92365	1.0
142.94374	0.3
172.95493	8.5
253.79126	0.3
255.23302	0.6
355.15753	0.9
371.15021	0.5
375.35281	0.3
381.17487	1.1
429.19485	6.4
430.19757	0.7
453.57797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35264	0.3
55.01873	0.3
57.03450	0.8
59.01387	100.0
60.01729	1.3
63.58587	0.3
69.03476	0.7
69.37855	1.0
71.01389	10.3
72.99328	0.5
73.02953	12.6
83.01416	0.7
85.02964	4.7
86.00101	0.6
87.00889	3.0
87.04535	1.6
89.02456	8.8
89.79843	0.3
95.01400	0.4
97.02959	0.5
99.00910	0.3
101.02456	14.3
103.04034	6.4
109.02955	0.3
113.02478	2.2
115.04029	3.4
119.03526	3.6
125.02504	0.8
127.04036	0.7
131.03510	2.9
132.19987	0.4
138.06920	1.0
143.03500	3.5
144.87740	0.3
145.05103	1.6
153.09241	2.9
161.04567	0.7
163.06145	10.2
178.41049	0.4
179.05707	0.4
184.19209	0.3
205.07184	6.4
205.12468	0.6
206.07620	0.4
225.14977	5.3
267.12384	0.5
335.58179	0.3
369.19077	1.9
428.60544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89863	0.2
55.01873	0.2
57.03449	0.3
58.00594	0.2
59.01385	100.0
60.01731	1.0
61.52710	0.2
66.70843	0.2
69.45619	1.0
71.01388	12.2
72.99306	0.2
73.02964	0.7
83.01414	0.4
85.02957	1.9
87.00903	1.0
89.02455	16.9
90.02811	0.4
95.01414	0.9
101.02456	6.9
101.03111	0.4
113.02458	5.6
114.02912	0.2
119.03522	6.8
131.03543	0.8
134.03748	0.3
137.09731	1.7
143.03500	1.3
149.04619	0.6
161.04575	2.2
161.13409	0.9
179.05627	3.7
205.12430	0.6
223.13499	0.8
249.11327	2.8
266.04672	0.2
267.12415	0.9
269.00824	0.3
354.72183	0.2
429.22113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01385	100.0
60.01715	0.9
69.21072	2.9
71.01389	17.9
73.02972	0.8
83.01409	1.0
85.02979	2.3
87.00898	1.3
89.02450	24.4
90.02820	0.7
95.01425	1.1
98.21906	1.1
101.02450	8.7
107.05058	2.3
113.02452	6.6
119.03519	8.3
125.02534	0.7
131.03610	0.6
143.03574	1.6
161.04639	1.9
161.09764	0.8
161.13422	1.4
169.91397	0.5
179.05652	5.1
182.85095	0.5
187.07758	0.7
187.11317	1.7
203.10928	0.7
205.12450	1.4
207.10324	0.8
223.13397	7.2
228.59230	0.5
249.11282	3.3
267.12445	7.1
268.13028	0.6
299.99512	0.5
363.58786	0.5
369.16037	0.6
390.24976	0.5
429.17630	0.8
437.72699	0.5
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
51.78703	0.8
55.01876	1.2
57.03437	0.9
58.00592	1.3
59.01384	100.0
60.01719	0.9
69.46729	3.6
71.01389	34.5
73.02934	1.0
81.07096	1.5
83.01390	1.8
85.02969	5.1
87.00891	1.7
89.02454	38.1
92.58503	0.7
95.01388	2.4
99.04532	3.1
101.02455	17.8
113.02451	11.6
119.03513	15.4
131.03531	2.2
143.03490	1.8
149.04477	1.2
149.80232	0.8
151.21181	1.0
155.21404	0.7
161.04559	1.4
161.09735	1.9
161.12120	1.5
161.13379	16.3
179.05643	4.3
179.33569	0.8
187.11330	2.1
205.12334	26.7
205.14261	1.4
206.12709	2.0
223.13394	5.7
249.11325	36.9
250.11732	4.0
267.12396	3.3
270.48309	0.8
309.13635	1.1
339.14645	1.3
369.15359	1.7
424.88000	0.9
429.17606	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	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01388	34.8
73.02966	10.4
82.91393	3.8
85.02941	10.6
87.00929	4.5
89.02439	31.9
101.02471	14.6
109.06576	6.1
113.02434	21.1
119.03525	13.1
123.00887	6.9
124.01662	5.2
125.02439	6.9
127.07682	11.3
135.16829	4.1
143.27864	3.9
151.04016	7.5
161.04572	6.1
169.01381	10.1
171.06665	14.2
242.02354	5.1
271.06265	6.4
286.25934	4.8
343.08331	7.8
357.13361	9.7
369.06436	5.1
387.07297	6.9
387.20157	5.1
396.27679	4.7
430.21597	6.6
431.06262	24.5
431.15198	31.7
431.23303	5.3
433.07068	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	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01388	34.8
73.02966	10.4
82.91393	3.8
85.02941	10.6
87.00929	4.5
89.02439	31.9
101.02471	14.6
109.06576	6.1
113.02434	21.1
119.03525	13.1
123.00887	6.9
124.01662	5.2
125.02439	6.9
127.07682	11.3
135.16829	4.1
143.27864	3.9
151.04016	7.5
161.04572	6.1
169.01381	10.1
171.06665	14.2
242.02354	5.1
271.06265	6.4
286.25934	4.8
343.08331	7.8
357.13361	9.7
369.06436	5.1
387.07297	6.9
387.20157	5.1
396.27679	4.7
430.21597	6.6
431.06262	24.5
431.15198	31.7
431.23303	5.3
433.07068	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31448	2.4
59.01382	51.4
71.01384	30.0
73.02962	5.2
73.29336	1.8
79.01927	2.5
83.01405	2.5
85.02951	10.4
87.00883	2.6
89.02453	35.7
95.01394	5.1
96.95998	2.5
101.02455	17.1
105.33482	2.0
107.01404	6.2
111.00924	2.4
113.02470	13.0
115.00376	2.2
119.03487	14.7
123.00903	18.8
124.01700	17.9
125.02464	32.1
133.01430	3.1
136.98851	2.7
141.01956	3.8
143.03601	2.5
151.00389	11.4
161.04599	7.2
168.00662	7.7
169.01445	36.2
170.01817	3.2
175.50137	2.1
179.05692	14.7
209.04587	6.1
211.02480	10.0
251.13083	2.4
256.92905	2.2
271.04688	10.6
272.05048	2.4
297.12439	3.5
355.12854	3.8
385.18600	3.1
399.12119	4.5
430.14398	22.7
431.15652	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	430.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	51.9
61.00714	3.7
69.52518	15.2
71.01387	30.8
71.38568	3.4
73.02960	4.3
81.33733	3.3
85.02903	3.8
87.00912	3.7
88.82701	3.7
88.93893	2.9
89.02448	34.3
90.38882	3.4
91.44280	3.8
95.01402	4.9
101.02441	17.9
113.02457	11.4
119.03495	11.5
123.00876	20.4
124.01672	12.9
125.02497	19.5
151.00368	11.7
161.04536	4.7
168.00655	6.8
169.01451	19.5
179.05591	15.5
187.97601	3.4
204.69489	3.8
209.04584	9.2
271.04565	4.5
334.44232	3.7
347.71875	3.9
355.13028	5.1
411.25720	4.3
430.14282	12.7
431.15558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.8
66.21549	13.1
69.79223	22.1
71.01389	84.3
73.02956	21.0
84.08679	11.7
85.02962	20.3
89.02467	36.4
101.02451	41.2
113.02429	26.4
123.00890	19.3
124.01670	13.9
125.02424	41.4
129.70694	11.7
153.09224	46.4
155.84895	11.0
161.04565	45.1
165.05623	17.7
169.01408	30.2
169.41487	13.5
211.09761	23.8
212.10178	21.8
225.15001	100.0
280.53784	12.9
280.57050	14.2
327.05487	12.5
340.99356	33.3
357.48819	12.8
387.20212	48.8
431.14954	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72680	2.1
54.97333	2.2
56.62753	2.3
59.01382	38.0
60.42644	2.4
69.03474	2.4
69.42577	7.7
71.01389	21.0
72.99351	2.1
73.02953	7.8
77.22488	2.0
83.01433	3.4
85.02956	4.5
87.00882	3.5
87.04529	4.9
89.02442	12.0
95.01421	3.3
96.96018	28.0
97.02971	3.8
98.22652	4.9
101.02448	12.5
107.01389	9.1
111.00883	21.0
113.02432	10.1
117.05575	4.7
119.03533	3.1
123.00878	14.6
123.04494	3.5
124.01678	10.7
125.02457	57.5
139.00380	3.1
151.00313	10.7
161.04611	3.8
165.05576	6.5
167.03613	2.5
168.00648	7.2
169.01430	100.0
179.05626	4.3
198.78384	2.0
211.02461	27.9
214.16277	2.2
241.03534	5.6
258.00027	2.6
271.04639	41.5
277.94406	2.3
278.81607	2.8
279.10886	3.9
313.05716	47.9
331.06683	3.2
373.07660	22.1
394.29654	2.8
403.46619	2.2
413.10883	13.6
415.84512	2.4
430.14682	28.0
431.05911	3.4
431.11743	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01388	34.8
73.02966	10.4
82.91393	3.8
85.02941	10.6
87.00929	4.5
89.02439	31.9
101.02471	14.6
109.06576	6.1
113.02434	21.1
119.03525	13.1
123.00887	6.9
124.01662	5.2
125.02439	6.9
127.07682	11.3
135.16829	4.1
143.27864	3.9
151.04016	7.5
161.04572	6.1
169.01381	10.1
171.06665	14.2
242.02354	5.1
271.06265	6.4
286.25934	4.8
343.08331	7.8
357.13361	9.7
369.06436	5.1
387.07297	6.9
387.20157	5.1
396.27679	4.7
430.21597	6.6
431.06262	24.5
431.15198	31.7
431.23303	5.3
433.07068	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	431.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10388	0.9
58.61426	0.8
59.01384	25.5
61.24955	1.0
69.28143	5.6
71.01395	7.6
71.81807	1.0
73.02945	4.4
75.00859	2.7
83.01381	1.9
83.23782	0.9
85.02937	2.5
87.02350	0.9
89.02428	4.1
95.01388	2.1
97.02953	1.5
99.04520	1.7
101.02447	4.8
107.01381	1.1
111.15472	1.0
113.02403	3.5
119.03477	2.0
123.00863	3.2
124.01636	3.1
125.02421	3.3
125.49535	1.1
135.02989	7.3
137.02435	1.6
139.07642	1.0
145.02901	2.3
147.00822	2.5
153.01952	1.1
158.03656	1.1
159.04408	1.3
164.01147	1.4
169.01466	1.4
172.05318	1.7
173.02345	1.2
173.06020	2.6
174.03200	1.3
175.00224	2.5
177.01979	1.3
187.07686	9.2
190.02672	1.8
193.01372	1.7
196.05260	1.6
200.01115	1.2
200.04744	3.3
201.01932	1.2
201.05609	1.3
201.09221	1.3
202.06387	2.4
202.99873	7.1
203.03377	1.0
203.07141	1.2
205.08693	1.7
207.13811	1.7
209.11815	5.0
213.08972	1.0
214.02562	1.4
215.03445	2.6
216.00644	1.4
216.04254	4.2
217.01315	1.1
217.08833	1.2
221.00964	1.2
224.04660	1.6
225.14888	1.7
226.02625	2.0
227.03485	10.9
229.01292	3.5
229.08636	3.9
230.02182	6.4
231.10329	6.9
238.42278	1.0
239.03487	2.3
240.04285	9.5
241.04987	1.8
241.08778	1.6
243.02975	2.8
244.00084	1.1
244.03572	1.1
245.00922	9.2
245.08206	6.2
246.01515	1.3
246.98862	24.6
247.06187	1.0
253.08707	1.6
254.02167	2.0
255.03046	19.5
255.06482	2.9
256.03696	5.5
256.07257	2.4
257.00705	1.4
257.08121	2.1
258.01669	3.9
267.06619	1.4
268.07343	1.5
269.00842	2.6
269.08231	22.2
269.13998	14.3
270.08536	2.7
270.14093	1.2
271.02362	2.0
271.09686	4.4
272.03348	1.6
272.06769	1.7
273.07697	25.4
274.01138	4.6
274.07864	1.9
275.09128	4.1
281.04761	1.2
284.03152	1.5
287.09055	2.0
297.00327	1.6
297.07687	11.8
298.01105	2.4
298.07974	1.2
299.01886	2.7
299.09238	8.8
300.02637	3.4
300.06177	1.9
300.09497	1.3
300.99832	2.4
309.07825	1.3
311.05457	2.8
312.02731	1.4
313.07245	2.4
314.07889	1.2
315.08636	4.2
341.06564	6.4
343.08295	9.6
355.04276	1.1
355.08160	13.0
356.08542	1.4
369.05740	1.3
387.06866	4.3
387.11328	8.6
399.07104	3.9
431.05978	100.0
431.23071	9.0
432.06198	11.2
451.26761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
50.78724	0.8
52.40480	0.9
52.60123	0.8
53.07037	0.7
53.12175	0.9
57.03435	2.1
59.01384	64.1
67.01882	1.9
68.21141	0.8
71.01029	1.2
71.01389	19.3
71.05016	2.0
73.02957	4.0
79.01926	1.1
83.01366	1.7
85.02956	5.3
87.00887	4.4
87.04507	1.4
89.02451	17.8
95.01360	2.7
96.95988	3.6
97.02923	1.6
99.00871	1.4
99.04480	3.2
101.02464	15.3
107.01397	6.0
109.02935	1.8
111.00896	23.9
113.02465	6.9
117.05574	9.0
119.03518	7.8
123.00912	12.1
123.04491	1.2
124.01675	11.7
125.02466	36.3
131.03519	0.9
135.04500	1.2
139.00388	1.1
140.01134	2.5
141.01950	1.9
149.04515	2.4
151.00386	8.2
151.03966	1.4
161.02359	2.1
161.04556	2.0
163.04062	1.0
167.03525	1.5
168.00653	9.4
169.01440	52.8
170.01680	1.0
173.00874	1.0
176.04800	1.0
179.03438	2.5
194.05820	1.6
195.06604	1.7
209.08195	5.1
211.02501	34.7
212.02771	1.3
227.09283	1.1
241.03372	1.7
255.10194	1.4
271.04623	52.4
272.04874	3.1
275.02087	1.0
279.10886	16.5
280.11197	1.7
313.05737	9.8
331.06766	5.4
359.21899	1.0
373.07639	1.2
387.09225	1.4
413.10797	3.9
431.11777	100.0
431.23163	3.2
432.12106	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70426	1.0
52.36338	0.7
53.77273	0.8
55.14622	0.7
59.01384	100.0
60.01708	1.1
70.71529	1.7
71.01359	2.1
85.02987	0.8
89.02451	1.0
97.02957	0.9
101.02443	1.5
107.01492	1.0
107.35392	0.9
113.02471	1.2
122.72435	0.9
123.00907	1.6
124.01662	1.6
125.02453	11.5
154.56166	0.8
161.02446	2.4
161.04581	0.9
165.05583	2.2
168.00650	1.6
169.01442	18.0
176.04805	2.0
179.03535	4.7
191.07130	0.8
194.05806	5.9
195.06322	0.9
209.08202	18.2
211.02530	2.3
236.06375	0.9
271.04587	3.7
313.05334	1.1
331.06808	1.1
431.11743	12.2
432.12146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
67.01888	1.6
69.84730	4.4
69.85078	2.2
71.01385	13.3
73.02953	2.9
74.29469	1.4
76.86353	1.5
79.01896	1.6
83.01389	2.0
85.02959	5.0
87.00868	3.7
87.04521	2.2
88.98820	1.4
89.02460	5.7
95.01389	3.4
96.96026	3.0
97.02946	2.2
98.22570	2.7
98.95629	2.0
101.02470	8.2
101.06088	2.0
107.01375	7.1
108.02189	1.6
109.02940	2.5
111.00893	21.9
113.02447	5.5
117.05600	7.3
121.02953	1.8
123.00894	21.4
123.04506	2.6
124.01678	11.2
125.02460	28.6
125.63216	1.7
135.04536	5.6
136.05315	4.2
137.02487	1.5
138.01996	1.5
139.00403	2.8
140.01100	2.1
151.00375	13.3
151.04111	1.6
161.02454	4.3
168.00636	4.0
169.01447	37.8
170.01755	1.8
173.00836	1.9
176.04736	3.3
179.03510	4.6
193.01425	1.6
194.05789	4.9
195.06665	22.3
209.08163	12.5
211.02496	8.1
239.86244	1.5
271.04599	9.9
300.99557	2.3
313.05777	7.2
413.10406	2.0
431.11014	15.2
431.16376	64.5
432.15836	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	431.1713
Annotation	CHEBI:67630
Peak:m/z	Relative Intensity
54.43773	1.2
57.03424	1.3
59.01369	4.1
69.26631	7.7
73.02962	1.9
87.00886	87.2
88.01238	2.7
93.03455	4.0
95.05072	7.9
97.06589	9.5
105.07113	3.9
122.03752	5.1
123.04549	4.3
123.08180	27.6
125.09668	1.7
130.99881	38.2
132.00661	5.6
135.04520	2.0
135.08174	6.6
146.03775	8.3
147.04466	2.8
148.05331	4.4
149.02448	1.7
149.06114	3.8
149.09726	2.2
159.04565	9.2
160.05305	3.3
163.07693	8.2
172.05334	4.1
173.06084	8.1
173.87624	1.5
174.06694	1.8
175.07666	19.2
177.12912	3.2
185.06187	2.8
186.06876	3.2
187.07680	13.1
188.08473	3.9
189.09258	11.1
199.07677	3.5
200.08398	3.2
201.09241	7.5
203.07156	4.7
203.10640	1.8
205.34306	1.9
213.05566	2.6
213.09074	1.9
217.08716	2.1
224.44075	1.7
225.09254	1.9
227.07146	4.6
227.10739	3.7
231.04607	1.8
237.05791	1.5
237.09238	2.0
245.08324	1.9
247.06041	2.0
251.10793	2.3
254.04330	22.1
281.15491	4.6
290.00668	1.6
291.13766	7.9
299.16614	13.4
309.14987	14.6
325.18130	4.5
327.16028	4.2
341.17429	8.8
353.14026	15.2
369.17108	2.6
371.15103	2.6
431.17145	100.0
432.17477	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	431.1713
Annotation	Ananolignan C
Peak:m/z	Relative Intensity
50.99787	0.8
51.30783	0.8
57.03446	0.8
59.01386	4.6
60.17015	0.8
64.44955	0.8
69.25892	3.4
69.26283	1.8
71.01382	1.4
78.04795	0.8
84.45300	0.9
85.56857	0.9
87.00887	100.0
88.01233	2.2
89.02464	1.0
93.03474	1.2
95.05039	3.1
97.06604	10.6
105.07115	4.1
107.05070	1.7
115.00391	1.7
117.07159	1.0
122.03748	2.9
123.04552	4.1
123.08173	23.5
125.09694	1.6
130.99878	38.2
132.00681	1.7
133.01430	0.9
135.08229	2.4
146.03751	7.9
147.04506	2.9
148.05328	1.6
149.06120	2.0
149.09709	1.2
159.04559	5.5
160.05290	2.7
161.06062	2.0
163.07675	3.3
166.02443	0.9
172.05313	5.3
173.06075	9.3
174.03256	1.1
174.06845	2.6
175.04077	1.0
175.07671	16.9
177.12901	5.5
185.06114	1.7
186.06866	2.6
187.04044	1.2
187.07675	11.4
188.04900	1.0
188.08310	2.8
189.05592	2.5
189.09227	8.5
190.06181	0.9
191.07126	1.7
199.07669	3.1
200.04686	0.9
200.08432	2.7
201.05557	1.3
201.09222	10.3
202.06447	1.3
202.09663	0.9
203.07097	4.5
203.10751	1.0
209.06122	1.9
211.07642	1.0
212.08418	1.1
213.05603	2.6
213.09183	2.8
215.10812	1.7
216.08012	1.4
217.08641	1.3
223.07715	1.5
225.09186	1.5
227.03659	1.0
227.07153	2.1
227.10805	3.6
229.08719	2.4
237.05554	1.8
237.09348	1.5
241.08751	2.9
241.12430	1.8
242.05743	0.9
242.09489	1.6
243.10164	1.0
245.08221	1.6
247.06128	2.1
251.07277	1.0
251.10718	2.1
253.08641	1.4
254.04326	16.9
256.11121	1.1
265.08856	1.4
265.12384	1.1
267.14124	1.2
268.14880	1.0
269.15475	1.2
270.12573	1.6
271.09570	0.9
271.16989	1.2
276.11591	2.2
280.11057	0.9
281.15509	4.3
284.06812	0.9
284.14127	1.7
291.01282	1.0
291.14001	8.4
292.14236	1.4
299.16571	9.5
300.02859	6.9
307.17276	1.0
309.14996	10.3
310.15311	1.5
325.18170	4.2
327.16034	3.5
341.17636	4.7
345.79465	1.0
351.16260	1.6
353.13992	15.1
354.14261	1.8
355.08353	1.2
369.17010	4.1
371.14545	1.0
387.07275	2.1
395.15128	2.0
413.15930	2.1
431.17142	79.4
432.17471	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88834	0.7
52.14062	1.0
57.03435	2.4
59.01382	57.4
59.48431	0.8
61.48107	0.9
69.03452	1.8
71.01382	11.9
73.02952	26.5
74.25027	0.8
75.00822	1.2
83.01395	18.5
85.02933	3.1
89.02467	4.5
89.88311	0.7
94.67883	0.8
95.01367	1.5
97.02924	1.1
99.04018	0.9
99.04536	11.6
101.02444	15.2
109.35326	1.0
113.02437	7.5
119.00511	0.8
119.03443	1.5
123.00887	1.2
124.01663	2.2
125.02446	3.7
131.03532	1.1
135.02986	2.5
147.00879	1.1
161.04538	1.9
163.07675	1.2
165.12813	3.6
169.01387	3.5
173.02493	1.3
175.00339	1.1
187.07544	2.2
189.01869	1.0
189.12804	2.1
196.05281	1.1
202.06293	1.2
202.99796	3.9
207.13911	10.7
209.09834	1.9
209.11842	36.3
210.12053	2.1
216.04207	1.5
217.08644	0.9
225.14972	9.8
226.15349	1.0
227.03377	3.2
229.01332	1.4
230.02246	2.2
231.10309	2.0
240.04326	4.7
242.02248	1.1
243.03137	1.1
245.00906	4.0
245.08130	2.0
246.98859	11.6
251.12943	4.8
255.03001	7.5
255.06680	1.3
256.03732	2.1
258.01602	1.3
259.99399	1.3
267.15970	2.5
269.00937	1.4
269.08200	7.0
269.13956	100.0
270.14224	7.3
271.09842	1.6
272.06903	1.1
273.00409	1.0
273.07718	9.7
274.01212	1.8
275.12842	3.6
287.09088	1.1
297.07681	5.0
299.09167	4.2
300.02664	1.0
305.61185	0.9
311.05533	1.8
311.15060	7.3
315.08636	2.4
341.06326	2.2
341.15833	2.9
343.08209	4.7
355.08026	1.9
355.60733	1.0
369.05719	1.6
371.17218	7.4
387.07086	2.7
387.11096	2.4
417.36551	1.1
431.06036	38.4
431.18170	13.0
431.23557	3.5
432.06735	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	431.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00666	0.6
55.01880	0.8
57.03437	1.2
59.01383	47.8
59.98526	0.8
69.90157	2.4
71.01389	21.1
72.01685	0.8
72.99328	1.3
73.02947	19.6
78.14738	0.6
83.01397	1.7
85.02956	5.8
86.10374	0.7
87.00933	0.7
89.01936	1.4
89.02457	18.5
95.01405	1.0
99.04532	26.6
101.02452	10.9
113.02447	7.7
119.03512	6.1
125.02470	1.9
135.07149	0.8
137.02484	0.9
143.03488	0.9
145.54456	0.8
155.89349	0.7
161.04546	1.1
169.01358	1.0
179.05515	1.0
189.12880	5.9
207.13911	31.2
208.14343	1.9
233.11826	1.5
245.21246	0.7
251.12895	100.0
252.13249	7.3
284.03308	0.8
384.10745	0.8
409.72064	1.0
422.95587	0.8
431.18143	22.7
431.23444	10.4
432.18942	1.6
432.24014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2208
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.55800	0.2
55.10796	0.2
62.36537	0.2
62.96414	0.2
69.35713	0.3
69.36115	0.8
78.95912	53.4
88.77776	0.2
96.96973	6.4
101.61531	0.2
102.52306	0.2
150.98018	1.4
152.99606	100.0
153.99944	1.3
171.00655	4.2
277.21680	0.5
414.61716	0.2
431.22104	4.5
432.22504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63713	1.0
55.01892	2.4
57.03459	1.2
59.01385	50.1
69.27946	5.8
71.01386	27.4
72.01762	1.0
73.02953	100.0
74.03299	1.5
81.75226	1.1
82.34114	0.9
82.40350	0.8
83.01406	2.4
85.02962	10.3
87.00925	2.0
89.02462	19.6
91.14501	1.0
95.01442	2.4
99.00946	1.2
99.04527	21.3
99.05080	1.4
101.02448	16.7
110.51965	1.0
111.04534	1.2
113.02464	12.3
119.03516	8.2
120.76671	1.0
121.51046	1.0
125.02533	1.4
143.03546	1.1
159.03104	1.2
160.06812	1.0
161.04642	2.8
173.56688	1.0
174.24611	1.1
179.05701	1.5
183.10341	2.7
189.12968	4.2
207.13902	22.6
208.14339	2.6
251.12907	71.9
252.13235	5.2
253.18184	2.9
269.14001	1.5
269.18039	1.1
296.25323	1.1
413.21783	2.0
431.10583	2.1
431.23218	95.3
432.23642	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39948	0.5
55.01873	0.6
57.03464	0.9
59.01385	100.0
60.01719	1.3
68.36649	0.5
69.24254	3.0
69.24532	0.6
71.01391	11.2
71.10376	0.5
73.02946	3.8
74.11447	0.5
76.87154	0.5
83.01399	1.5
85.01582	0.6
85.02953	4.7
89.02461	3.9
89.24368	0.5
95.01436	1.0
98.22627	1.0
99.00892	1.5
101.02447	10.8
113.02456	5.6
116.26923	0.5
119.03537	1.3
119.33861	0.5
125.02489	0.8
151.48845	0.5
159.03087	1.3
161.04572	9.9
209.15594	1.2
251.13068	1.1
323.96912	0.5
371.20761	19.4
371.25256	1.0
372.21408	1.5
374.23755	0.5
387.07599	0.6
431.23224	1.5
432.24048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2292
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01878	1.5
57.03455	1.5
59.01385	31.2
61.98817	1.3
71.01385	19.8
73.02953	100.0
74.03300	1.1
83.01400	2.3
85.02954	7.7
87.00869	1.2
89.02453	9.7
95.01415	2.2
99.00905	2.0
99.04536	6.4
99.64047	0.8
101.02448	11.4
112.70334	0.8
113.02451	7.2
119.03538	3.4
125.02517	1.4
131.03548	0.9
133.10352	0.8
151.04019	0.9
159.03044	0.9
161.04503	4.0
183.10223	1.2
189.12807	1.6
207.13911	9.2
251.12915	29.0
252.13304	2.4
253.18158	3.1
269.13971	1.0
269.17673	1.6
284.03439	1.2
285.04001	1.3
327.05029	1.0
327.88275	0.9
331.79596	0.9
357.19406	0.9
365.58557	1.0
413.21832	1.6
431.23044	89.6
432.23300	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01729	1.3
69.72551	0.3
71.01387	2.9
71.05023	0.4
72.28598	0.3
73.02953	0.9
83.01390	0.6
85.02963	1.6
87.00900	0.5
89.02478	1.2
95.01402	0.6
96.96032	0.7
98.22642	1.0
101.02468	2.1
113.02484	1.5
114.93468	0.6
119.03529	0.7
123.00922	0.7
124.01723	0.6
125.02488	1.2
129.84714	0.3
149.02475	0.6
151.00446	0.4
151.04013	0.3
155.10837	1.2
161.04639	1.1
165.05640	0.5
168.00810	0.5
169.01463	1.2
227.16638	2.2
251.12929	0.4
345.08878	0.6
355.13074	0.6
371.20984	0.6
389.21945	0.4
399.11960	0.8
431.15448	4.2
431.23502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09653	1.1
52.08836	1.5
54.44117	1.2
58.95443	1.3
59.01386	62.4
61.98833	100.0
62.73620	1.3
68.87059	1.3
69.14090	3.1
69.14503	7.0
71.01389	13.9
73.02946	9.5
83.01378	2.3
85.02969	3.8
89.02454	6.5
98.22643	2.2
101.02429	9.4
102.80814	1.3
104.57625	1.3
113.02461	5.0
119.03469	2.8
131.03548	1.8
157.30174	1.4
161.04613	3.9
184.51617	1.5
190.42973	1.4
194.08296	1.5
200.01091	1.7
216.00505	1.5
237.27017	1.5
244.00174	2.3
271.99512	1.4
272.35452	1.5
299.99155	47.0
300.99957	33.0
301.03604	3.6
329.06708	2.2
360.86838	1.4
433.04126	32.2
433.24393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01826	1.0
56.02487	1.0
59.01385	93.5
60.01711	2.0
61.01810	2.7
61.98835	100.0
69.19048	6.9
70.65079	1.1
71.01392	12.1
73.02950	1.7
85.02961	3.8
89.02436	10.7
101.02445	8.6
113.02443	5.9
119.03520	5.6
138.46867	1.1
161.04578	3.5
179.05620	2.6
183.10390	1.3
271.19278	1.7
299.99139	19.3
300.99979	8.6
341.88382	1.2
416.82312	1.1
433.04175	14.8
433.16916	4.3
433.24484	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	432.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	48.5
68.99411	26.7
69.25833	100.0
69.26239	61.4
98.22695	44.3
159.35164	23.8
161.04515	36.8
181.58301	27.8
223.15930	27.5
299.99188	43.2
384.33093	30.4
433.03967	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
59.29639	0.4
60.43876	0.4
66.99400	0.4
68.99569	1.2
71.01364	0.9
78.40476	0.4
84.04286	0.4
89.02440	0.5
93.03481	2.4
98.21912	1.6
101.02464	0.5
101.43220	0.4
107.01417	0.5
112.98585	0.9
125.02444	0.6
137.02458	6.9
139.32883	0.4
144.02238	0.6
145.07332	0.4
160.01617	0.5
169.01572	0.5
171.08090	0.4
172.01666	1.9
173.02431	0.4
185.02477	0.8
188.01178	0.9
200.01140	2.3
201.01875	0.9
208.95343	0.5
208.99060	0.6
211.52936	0.4
216.00673	2.9
217.01044	0.6
226.99896	0.6
228.00684	2.0
229.01421	1.7
235.77171	0.5
242.99393	1.1
244.00235	3.7
245.00734	0.6
252.99263	0.8
257.00958	1.0
270.99097	0.7
271.99615	2.2
280.98990	0.5
282.98923	1.5
283.99640	1.5
298.98288	0.8
299.99142	100.0
300.99878	62.4
302.00275	4.7
344.97174	1.0
354.95300	0.8
372.96628	2.0
390.97717	0.7
433.04175	77.7
434.04538	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	433.0415
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
59.01387	1.2
62.72490	0.2
63.16777	0.2
66.27067	0.3
69.57594	0.9
82.33250	0.3
94.73129	0.2
98.22547	0.5
116.92896	0.6
132.02126	0.3
133.02878	0.3
144.02197	1.1
157.02931	0.3
160.01685	0.8
167.06969	0.3
172.01692	3.1
173.02339	0.6
185.02452	1.7
188.01152	0.9
199.00409	0.4
200.01166	3.3
201.01961	1.6
216.00661	3.6
217.01263	0.3
223.61787	0.3
226.99899	0.6
228.00658	2.9
229.01395	2.7
242.99295	1.2
244.00143	4.6
245.00870	1.1
254.99420	0.6
257.00891	1.8
270.99005	0.6
271.99646	3.1
273.00143	0.5
282.98746	1.8
283.99554	2.0
298.98410	0.8
299.99136	100.0
300.99884	84.1
302.00259	5.8
433.04150	71.0
434.04492	8.4
445.97760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34020	0.4
59.01124	0.8
59.01387	8.5
69.33067	2.3
69.33434	0.8
71.01390	5.5
73.02952	0.8
77.24981	0.4
85.02950	2.1
89.02453	4.1
101.02453	3.3
111.00965	0.5
113.02464	1.8
118.76431	0.6
118.77274	0.5
119.03515	1.7
124.01685	0.8
129.89488	0.5
139.31004	0.5
144.02165	1.2
160.01620	0.9
161.04562	1.5
163.04092	0.5
168.00638	0.9
169.01421	0.6
172.01689	2.4
179.05658	0.7
185.02481	0.9
200.01184	2.5
201.01932	1.4
216.00626	3.7
226.99846	0.8
228.00648	2.1
229.01366	2.4
242.99342	0.8
244.00183	3.3
245.01047	1.0
257.00931	1.3
270.98907	0.7
271.99588	1.7
282.98816	2.0
283.99561	1.5
298.98322	0.6
299.99146	100.0
300.99890	78.7
302.00320	5.4
387.20181	0.8
409.65912	0.5
433.04166	72.3
433.20523	2.1
433.24814	1.8
434.04462	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
56.56833	0.4
57.03455	1.5
59.01381	3.5
61.98835	0.5
65.00323	2.5
65.03986	0.6
67.01914	0.6
68.99847	0.7
71.01400	0.8
73.02933	0.5
79.36346	0.3
80.02704	0.5
81.03465	1.9
82.00626	1.0
83.01403	1.1
87.00911	1.5
91.01914	0.9
93.03487	1.8
93.53383	0.4
95.01425	1.1
96.02180	1.2
96.96098	0.4
96.99330	0.4
99.04530	1.2
101.02475	0.9
107.01366	0.4
108.02212	2.4
109.02961	8.6
109.03688	0.5
110.00121	0.5
111.00898	0.9
120.02197	2.0
120.99319	0.5
123.00895	2.0
124.01699	1.2
125.02441	2.1
125.99538	0.5
136.01657	2.2
137.02458	48.2
138.02809	1.6
139.00400	2.2
145.02924	0.5
147.00909	0.4
151.00325	1.0
153.02060	0.5
155.03537	2.6
163.00392	11.1
163.99712	0.5
164.01170	41.9
165.01944	61.3
166.02321	1.9
169.01485	0.9
172.01634	0.4
176.01149	1.3
177.01900	0.8
178.99878	8.0
180.00595	2.6
189.01941	0.4
190.02666	0.6
191.03493	0.8
200.01137	0.4
201.01849	0.5
202.99936	0.5
205.01544	0.4
206.99348	5.9
208.00151	87.1
209.00922	100.0
210.01224	5.0
216.00757	0.8
221.00955	0.5
229.01491	0.7
244.00131	1.1
246.98831	0.5
252.00536	0.4
269.08218	0.4
283.99719	0.6
297.07498	0.6
299.99136	22.7
300.99875	14.4
302.00195	1.1
318.76108	0.3
318.80768	0.4
329.10141	1.0
357.09781	1.2
369.06046	0.7
373.09180	1.0
374.10150	0.4
389.12372	0.8
401.08801	2.6
432.98236	0.8
433.04059	14.1
433.11285	12.4
434.04517	2.1
434.11630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1352
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.01863	0.6
59.01385	4.3
66.09100	0.3
67.01884	0.9
67.89315	0.3
69.03452	0.5
69.17913	1.1
69.18335	1.0
71.01385	4.5
73.02954	1.9
73.13776	0.3
78.01092	0.4
79.01917	0.9
81.03461	0.5
82.00594	0.5
83.01388	1.2
85.02956	2.1
86.00157	0.3
86.10393	0.3
87.00887	0.4
89.02451	0.8
95.01410	1.9
97.02946	0.9
99.00880	0.5
101.02440	3.2
106.39783	0.3
107.01393	4.4
110.00114	0.4
111.00908	1.6
113.02465	1.1
119.07140	0.9
123.00901	18.4
124.01689	14.1
125.02468	16.7
126.02767	0.7
127.00397	0.4
136.98878	0.6
139.00385	2.9
140.01172	2.3
141.01968	2.9
149.99573	0.4
151.00383	10.8
153.01994	0.8
157.63725	0.3
162.98413	0.3
163.04019	0.5
168.00642	4.6
169.01442	19.8
170.01768	0.6
181.05077	0.7
211.02469	1.3
223.02481	0.5
271.04617	1.4
271.07703	0.3
297.19299	0.3
313.05707	1.4
325.99960	0.4
336.21942	0.4
433.13541	100.0
434.13910	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	433.1352
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
59.01385	4.5
59.60970	0.4
63.16544	0.3
65.10367	0.4
67.01913	0.5
69.03479	0.7
69.77983	0.7
69.97627	0.4
71.01389	3.1
73.02943	1.2
78.01154	0.7
79.01894	1.4
79.32143	0.4
82.00614	0.4
83.01397	0.9
83.40932	0.4
84.71038	0.4
85.02968	1.8
89.69981	0.5
95.01403	1.8
97.02954	0.8
99.00903	0.4
101.02448	2.7
107.01399	3.6
111.00913	1.0
113.02465	1.2
118.27760	0.4
119.07153	0.8
123.00899	16.0
124.01688	11.2
125.02465	14.9
125.03149	0.2
126.02802	0.7
136.98891	0.6
139.00410	2.1
140.01167	1.4
141.01973	2.5
151.00383	11.3
153.01944	0.6
154.50468	0.4
168.00639	3.4
169.01428	19.9
170.01740	0.7
187.43016	0.4
211.02498	1.2
253.03508	0.5
271.04599	0.6
313.05740	1.6
433.13535	100.0
434.13858	9.3
434.19434	0.7
434.40390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31350	0.9
53.66152	1.0
55.01873	2.1
55.25002	1.0
57.03444	2.1
58.21938	1.0
59.01385	38.6
60.01722	1.1
62.61168	0.9
69.03472	1.2
70.62033	1.8
71.01385	28.0
73.02954	9.4
81.03506	1.1
83.01398	4.3
85.02959	15.1
87.00896	1.5
89.02473	4.8
95.01406	3.7
97.02956	2.7
99.00882	3.2
100.67618	0.9
101.02447	18.9
106.36739	0.9
107.01384	5.0
113.02448	13.0
118.87383	1.0
119.03551	1.3
119.07238	1.1
120.74922	1.0
123.00905	18.1
124.01689	11.6
125.01531	1.1
125.02465	21.6
136.01755	1.1
137.09756	1.7
139.00403	1.8
140.01175	2.9
141.01933	2.5
143.03561	2.8
151.00360	8.6
153.01929	1.1
159.03038	2.7
161.04579	27.8
168.00671	5.2
168.92686	1.0
169.01433	24.5
181.08723	38.5
182.09114	2.2
211.02446	3.3
259.39114	0.9
271.04611	5.2
272.05081	1.3
273.05185	1.3
300.99954	1.8
313.05792	3.1
321.98340	1.0
343.14163	1.5
373.15054	34.8
374.15381	3.4
433.13538	100.0
434.13940	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	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72381	0.8
59.01384	100.0
60.01706	1.4
60.59214	0.8
71.01390	4.8
73.02993	1.1
79.86344	0.7
82.97128	0.8
85.02970	1.2
89.02451	2.6
97.02938	1.1
101.02434	2.4
113.02457	1.3
121.14624	0.7
123.00903	3.1
124.01698	2.5
125.02432	2.9
133.02882	0.7
151.00385	1.0
161.04555	1.7
169.01454	3.1
181.05115	3.4
191.47408	0.9
196.07378	4.0
211.09804	6.3
288.30740	0.9
299.99112	3.0
300.99805	3.5
433.04169	1.9
433.13406	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03442	1.2
58.00591	0.8
59.01385	100.0
60.01729	1.0
61.98855	1.0
69.03442	0.6
71.01389	41.1
71.05045	1.8
72.01733	0.9
72.99306	1.3
73.02966	2.5
76.92339	0.6
80.99359	0.7
81.03474	2.6
82.66817	0.6
83.01403	1.8
83.05047	1.6
84.02172	0.7
85.02956	8.3
87.00910	1.5
89.02452	43.6
90.02786	1.0
95.01413	2.1
97.02985	1.6
97.06628	1.1
98.22602	2.3
99.00918	0.6
99.04520	3.1
101.02453	28.6
113.02466	13.8
115.04018	9.6
115.04636	0.8
119.03513	25.3
125.02472	1.3
131.03531	2.4
135.11832	1.5
143.03532	2.9
149.04616	1.8
161.04619	3.0
163.00356	0.7
167.10814	0.9
173.13377	1.0
179.05629	6.1
191.14427	8.9
192.14917	0.9
197.11823	5.0
209.15607	0.9
210.98245	0.6
216.00728	1.5
235.13445	2.0
244.00082	0.7
253.14600	6.2
254.14731	0.8
271.15579	1.3
299.99139	27.3
300.99902	16.5
302.00241	1.2
401.08905	0.9
415.19800	0.9
433.04166	18.3
433.15323	1.3
433.20602	18.0
434.04797	1.9
434.21396	2.3
445.67880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24297	0.2
55.58683	0.2
57.36923	0.2
62.96415	0.3
63.56231	0.2
69.12803	1.5
72.24914	0.2
78.95913	50.4
80.74969	0.2
85.93138	0.2
96.96970	6.3
98.21957	0.4
102.40853	0.2
150.98024	2.0
152.99606	100.0
153.99905	1.3
171.00665	4.6
194.48589	0.3
208.09087	0.2
221.60614	0.2
279.23267	0.8
298.91440	0.2
299.99170	1.1
300.99887	0.9
358.94028	0.2
433.04150	0.9
433.23682	6.1
434.23932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77868	0.2
55.01887	0.6
59.01385	100.0
60.01719	0.9
69.42754	1.0
71.01389	5.0
73.02950	1.6
73.48959	0.2
74.26419	0.2
83.01411	0.5
85.02947	1.9
89.02453	1.7
97.03008	0.4
99.00880	0.4
101.02457	4.2
113.02454	2.7
119.03545	0.7
143.03506	0.3
158.75647	0.2
159.03014	0.7
161.04573	4.6
161.05838	0.3
178.86751	0.2
211.17026	0.3
229.01541	0.2
261.34555	0.3
299.99158	4.7
300.02423	0.4
300.99899	3.1
302.00787	0.3
305.54269	0.3
373.22345	3.6
374.22910	0.3
433.04193	3.8
433.15634	0.3
433.24673	0.6
434.04688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03450	1.7
59.01386	100.0
60.01709	1.0
61.98842	1.6
64.76925	0.6
71.01392	21.7
72.99325	1.0
73.02956	6.7
78.98594	0.7
83.01408	2.5
84.73174	0.6
85.02967	7.8
87.00893	2.5
89.02455	15.2
95.01409	2.5
99.00896	1.6
101.02463	14.9
102.46797	0.6
103.03963	0.6
107.01408	1.2
113.02455	7.7
114.02810	0.7
115.04054	1.1
119.03503	5.9
119.05025	7.0
123.00922	2.5
124.01700	2.2
125.02451	7.5
131.03554	1.8
133.01453	1.2
143.03539	2.9
151.00317	0.9
159.02994	0.8
161.04581	6.9
163.06171	1.7
166.99951	1.0
169.01450	8.8
179.05681	2.6
189.01932	0.8
197.11876	1.2
200.01152	0.8
205.07202	1.4
213.05858	0.7
213.09283	1.0
216.00717	1.8
242.99353	0.8
244.00157	1.2
271.19269	2.8
299.99161	33.0
300.99887	20.7
302.00299	1.5
313.05951	2.5
317.10358	0.7
330.07520	0.9
345.09854	1.0
351.11346	0.7
373.13300	0.7
373.22360	8.0
374.22861	1.4
388.83417	0.6
433.04315	21.4
433.11514	11.5
433.24777	5.5
434.04581	3.0
434.11765	1.2
434.24939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58815	1.3
62.49556	1.0
65.86940	0.8
78.95912	7.0
98.22684	2.4
108.02184	48.0
126.99590	1.4
152.99602	11.8
157.06567	1.2
158.03674	1.4
167.06335	14.4
169.06598	1.6
171.04549	1.3
185.06104	6.2
211.05305	2.1
212.04791	1.6
213.05589	100.0
214.05945	7.0
299.99277	1.3
300.99643	3.6
302.00201	1.6
407.10577	7.9
434.04486	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	434.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57825	0.9
59.01385	38.0
60.01715	6.0
61.01806	5.3
61.98835	100.0
68.04562	1.0
69.90321	2.6
71.01383	3.8
73.02925	2.0
85.02956	1.9
89.02454	2.6
98.21932	1.7
101.02435	3.5
109.59095	1.0
130.28052	0.9
161.04532	1.3
232.67552	0.9
299.99207	1.8
300.99423	5.5
302.00266	2.3
374.21561	5.2
434.04306	3.9
435.24316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28614	1.3
58.81699	1.4
59.01386	32.8
60.01733	1.5
69.53001	2.9
69.53397	3.0
71.01380	10.0
73.02974	2.3
83.01415	1.7
83.41711	1.3
85.02969	3.4
87.00843	1.9
89.02463	6.7
95.01375	1.9
101.02486	6.9
107.01414	2.8
108.95525	1.6
113.02463	3.1
119.03532	2.8
121.02995	4.9
124.01651	3.1
125.02474	7.9
134.03752	1.9
135.04538	4.2
150.03217	1.7
158.03683	3.4
159.04510	7.2
160.01685	4.8
160.05373	1.5
161.02449	5.2
169.01443	11.0
171.04543	2.1
175.04005	2.4
176.01184	4.5
180.76581	1.3
187.04045	4.4
187.07680	3.1
188.01160	5.5
188.04761	1.4
189.01926	10.2
189.05547	3.8
190.02739	1.8
190.99690	1.9
199.07637	4.6
201.01924	1.9
203.03639	1.5
203.07260	1.6
205.01387	2.1
206.02177	1.9
211.02565	1.9
214.42325	1.6
215.07045	1.8
216.00676	5.4
217.01370	1.7
217.08672	19.4
218.09071	1.9
218.99432	1.4
219.03008	1.7
228.00764	1.6
229.01511	1.7
231.06642	6.4
231.10324	1.6
243.02960	5.7
243.10217	1.5
244.00171	1.7
245.00890	2.3
259.99634	36.6
260.03293	5.0
260.10580	2.9
261.00253	3.0
261.07657	5.7
271.06171	8.0
287.09158	2.8
288.06387	6.5
288.09433	1.7
289.06827	1.9
299.99149	2.1
300.99493	4.4
301.03342	1.8
301.99756	6.9
303.00510	2.0
303.08835	1.8
315.08630	3.7
331.08218	17.5
332.09012	12.2
337.00421	1.5
345.09598	1.7
347.11331	3.4
360.09738	3.0
375.07217	49.8
376.07986	100.0
377.08301	6.2
391.10352	2.3
435.04413	5.9
435.09665	4.8
435.22446	6.8
436.09982	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
59.01388	8.7
59.67263	0.5
63.95333	0.4
69.54256	0.5
69.91026	0.4
70.73740	0.4
70.74107	0.9
71.01383	5.3
73.02937	0.9
79.01883	0.7
81.16383	0.5
83.01348	0.6
85.02966	1.8
87.00883	0.6
89.02444	3.3
90.44497	0.5
95.01392	2.1
97.02940	1.1
101.02451	5.6
107.01405	5.7
111.00888	0.9
113.02411	2.3
119.03558	1.0
121.05082	2.0
123.00899	17.0
124.01693	10.1
125.02468	20.0
125.75568	0.5
136.98802	0.9
139.00412	2.4
140.01167	1.4
141.01956	3.0
149.02483	1.2
150.03242	1.3
151.00380	9.8
153.01921	0.6
161.02457	0.5
161.04486	0.6
164.04852	0.6
165.05533	3.7
168.00699	3.1
169.01440	33.2
170.01846	1.0
195.06613	0.9
211.02495	4.7
228.59244	0.5
253.03531	0.6
271.04645	7.5
313.05698	2.1
322.03802	0.4
327.10913	1.0
398.87643	0.5
435.11447	100.0
436.11792	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	435.1298
Annotation	Catechin 3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
56.35189	0.3
57.03451	0.4
59.01386	12.6
61.98819	1.2
65.00322	0.4
67.01898	0.8
69.03473	0.4
69.16240	1.4
71.01390	5.0
73.02979	0.3
78.01110	0.9
79.01896	1.1
81.03470	0.3
82.00613	0.6
83.01399	0.7
85.02963	1.7
87.00913	0.4
89.02460	2.7
95.01394	2.6
97.02965	1.6
101.02467	2.5
107.01395	5.6
110.00176	0.4
111.00895	1.6
113.02463	1.3
119.03512	0.4
122.99577	0.3
122.99992	0.7
123.00902	20.2
124.01684	20.3
125.02467	19.0
126.02773	0.6
127.00394	0.9
136.98801	1.4
139.00407	2.7
140.01181	2.1
141.01958	4.0
151.00385	11.1
152.00700	0.6
153.01921	1.3
163.04044	0.5
166.02675	0.3
168.00668	5.0
169.01440	21.9
170.01779	1.0
179.03596	0.4
180.39685	0.3
189.84512	0.3
211.02512	5.6
271.04608	4.5
272.96786	0.3
313.05716	1.3
347.80823	0.3
423.81644	0.3
435.12988	100.0
436.13336	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	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98826	7.0
71.01390	8.8
77.02240	4.6
87.00836	5.5
89.02450	5.7
96.96012	4.6
103.00348	5.3
108.99100	4.0
113.02480	6.2
125.02438	19.7
136.93961	4.1
137.02435	5.3
145.02859	4.7
150.03313	5.2
162.03136	4.8
165.01964	8.8
165.05545	11.5
169.01477	28.6
178.97720	9.9
179.03525	6.8
180.04231	9.8
191.05647	5.3
195.06604	14.9
213.07687	14.0
219.01755	5.4
271.04608	4.2
300.99951	8.3
314.97726	4.7
329.81003	4.4
336.93976	5.2
358.00583	6.5
374.98752	17.9
375.03827	16.1
375.11502	10.3
424.35312	4.7
435.11365	34.1
436.11224	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	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36015	3.2
59.01379	4.6
60.66982	3.7
61.86737	3.9
65.15607	3.6
69.37722	5.3
69.38127	12.4
87.00888	4.4
98.21870	8.0
106.83482	4.3
113.49487	3.9
124.95805	3.6
149.02443	22.8
150.03247	38.2
161.04596	5.3
162.03297	4.7
164.04826	17.8
165.05582	100.0
166.05902	4.3
195.06664	34.4
196.76685	4.0
256.72977	4.4
327.10950	21.2
422.11914	4.0
435.11465	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	435.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
70.27988	72.9
72.10422	24.8
75.23032	29.4
89.29635	23.9
94.39989	24.0
97.86171	23.3
113.85209	23.9
123.00922	36.1
125.02458	60.8
131.17462	23.7
136.21460	32.5
169.01424	62.7
199.09695	47.9
203.20363	25.3
230.17543	28.8
301.99661	64.3
303.00333	35.2
350.56519	25.8
351.40155	31.5
353.06613	24.9
360.11484	58.7
429.16940	25.7
435.04745	34.5
436.11563	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	HC-toxin
Peak:m/z	Relative Intensity
50.95645	0.8
57.03448	2.3
58.00575	0.8
59.01382	52.2
68.55357	0.9
69.06163	0.9
71.01385	24.1
72.99288	1.3
73.02939	3.1
75.48322	0.9
81.03475	0.9
83.01408	1.8
83.05032	32.5
85.02975	5.4
89.02448	18.9
91.05569	0.9
93.03489	1.8
95.01410	1.4
96.96018	3.7
97.02924	1.2
99.04549	1.0
101.02446	14.9
103.00378	1.1
108.02214	2.4
109.02977	2.1
111.00950	0.9
111.08157	1.2
113.02473	7.9
113.24295	0.9
115.03982	1.0
116.92869	2.5
119.03522	9.7
119.05043	1.0
123.00880	0.9
124.01687	1.3
125.02460	3.1
126.50160	1.0
127.04062	0.8
131.03473	0.9
140.85715	0.8
143.03532	1.9
145.05034	0.9
149.13322	1.0
151.00388	1.6
153.02042	1.0
155.10805	3.9
156.11331	0.9
161.04581	1.0
169.01361	2.6
170.28836	0.9
170.42052	0.9
179.05646	1.7
185.11734	1.0
199.09822	1.5
255.16028	28.9
256.16483	1.2
259.99680	1.6
271.06192	1.8
273.17084	3.8
299.99152	4.7
300.99661	7.4
301.99707	15.5
303.00418	10.8
313.05667	1.5
315.13333	1.4
331.08142	1.0
341.06467	1.5
349.06119	3.0
375.07404	1.2
376.07782	2.2
391.06854	1.2
417.21381	1.4
435.04672	14.9
435.09711	2.5
435.22372	100.0
436.05106	1.2
436.22656	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	435.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.8
57.03451	4.8
58.00596	1.7
59.01385	88.1
61.98842	1.7
69.03469	1.6
71.01389	100.0
71.41566	1.2
72.01693	1.8
72.99301	2.3
73.02953	47.4
75.00860	1.4
81.03458	1.9
83.01398	16.7
85.02959	48.7
86.00102	1.8
86.03290	1.0
87.00886	7.3
87.04520	3.2
89.02455	17.2
93.68211	0.9
93.91722	0.8
95.01393	6.8
96.96027	10.5
97.02946	3.6
99.00890	15.7
99.04531	0.9
101.02453	70.3
103.04026	7.2
111.00867	1.7
113.02460	42.7
115.03985	3.5
119.03529	4.4
124.01660	1.4
125.02467	6.6
125.06085	2.0
127.11282	3.4
129.01900	2.1
131.03545	2.2
143.03535	8.8
145.01430	1.6
145.05040	1.3
155.10793	0.9
159.03011	10.2
161.04572	56.5
162.04927	1.7
163.06097	3.5
169.01422	4.0
205.03552	1.1
205.07149	4.3
224.03636	1.8
224.79930	0.8
259.99609	3.1
264.49380	1.0
271.15607	1.9
277.40582	1.1
289.16605	77.8
290.16992	7.9
297.00739	0.9
300.99536	1.6
301.99792	1.8
303.17957	0.9
305.79880	1.1
358.57101	2.0
359.07510	1.6
375.85663	0.9
383.80063	1.0
435.08505	1.7
435.12750	1.8
435.22238	65.2
436.22522	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	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55758	0.4
55.01878	1.5
57.03458	2.4
58.00599	1.9
59.01385	100.0
60.01728	1.0
60.99327	0.5
69.03464	1.3
69.06237	1.3
69.06645	1.5
71.01389	41.8
71.05022	6.4
72.01740	0.5
72.99318	1.5
73.02954	4.2
81.03466	8.0
82.73377	0.4
83.01400	4.2
83.05022	0.4
84.02185	2.7
85.02960	9.9
87.00880	2.1
87.04521	3.3
89.02454	41.7
90.02794	0.6
95.01390	2.8
95.01943	0.4
95.05041	0.6
95.09359	0.4
97.02975	4.1
99.00890	1.1
99.04525	9.8
101.02454	37.2
101.20681	0.4
102.02786	0.8
111.32356	0.4
113.02460	16.2
115.04023	26.6
119.03515	19.1
121.62188	0.4
125.02477	1.2
126.03252	0.6
126.40771	0.4
131.03548	2.6
135.53833	0.4
136.50652	0.4
137.09741	0.4
139.11316	0.6
143.03516	4.1
144.04349	0.6
149.04558	2.2
153.12895	1.6
155.14386	0.5
159.03046	0.6
161.04568	3.6
163.11316	1.3
165.12807	0.5
169.01530	0.7
169.12392	1.1
175.14989	2.1
179.05640	5.7
181.12386	1.8
183.13904	0.6
191.14462	1.2
193.15994	22.0
194.16371	1.7
209.15527	1.3
211.17058	2.3
219.13876	1.4
229.77881	0.5
237.14992	11.6
238.15285	0.6
245.00754	0.5
255.16040	25.2
256.16324	2.0
273.17068	3.2
297.00565	0.7
301.99823	0.8
359.12503	0.5
417.21207	5.2
435.22321	65.7
436.22662	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.9
59.01385	100.0
62.18404	1.8
63.38547	1.4
71.01385	44.1
71.43224	2.4
72.99282	1.6
73.02953	3.3
81.03465	5.9
83.01399	5.3
84.02152	2.2
85.02946	8.2
87.00884	3.1
89.02457	53.2
95.01376	3.4
97.02942	3.0
99.04523	4.4
101.02456	35.7
113.02459	15.9
115.04027	8.3
119.03530	30.3
141.41434	1.6
143.03490	2.5
149.04561	3.3
161.04623	4.7
166.32198	2.1
175.15007	3.0
179.05626	7.3
193.15953	13.8
237.15021	5.5
255.16048	10.7
273.20697	3.5
300.99500	2.4
301.99802	2.9
303.00623	2.0
414.22586	1.8
417.21167	4.0
430.96133	1.7
435.04761	4.8
435.21399	34.2
435.26862	9.6
436.22473	3.4
449.82727	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	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03456	1.8
58.00605	1.4
59.01384	97.1
60.01738	0.8
60.54179	0.6
61.98838	10.3
68.35104	0.6
69.03461	1.1
69.29186	2.8
70.56014	0.8
71.01389	61.1
72.01704	0.7
72.99300	1.3
73.02953	21.7
75.00875	0.9
75.70380	0.6
78.01144	0.6
81.03468	1.2
82.23145	0.7
83.01390	2.1
85.02966	7.4
87.00883	2.2
89.02452	100.0
89.44936	0.6
90.02802	1.6
95.01392	2.3
96.95997	0.8
97.02958	2.5
99.00885	29.0
101.02453	40.7
107.01378	1.9
111.00903	1.7
113.02463	12.9
119.03513	10.1
123.00886	2.0
124.01670	10.1
125.02461	13.9
126.02771	0.9
127.00405	0.8
131.03519	16.9
132.99025	0.7
136.98785	1.2
139.00351	2.3
140.01122	2.5
143.03455	2.5
149.04567	53.6
150.04919	1.0
151.00327	0.9
159.58826	0.6
161.04559	4.2
168.00650	5.9
169.01442	10.4
170.01793	0.7
179.05626	4.1
191.03896	1.1
191.05603	11.9
202.89108	0.7
221.06595	2.4
233.06734	0.8
240.02632	0.7
241.87743	0.7
251.07635	3.0
293.33197	0.8
301.99545	0.9
359.12506	13.3
359.62643	4.4
360.13190	4.3
435.13034	9.5
435.22150	16.6
435.30768	0.9
435.63162	4.8
436.12912	1.5
436.22357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2523
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
61.98838	0.4
62.59428	0.3
69.38705	0.6
69.39121	1.0
70.66400	0.3
78.95911	55.6
96.96977	6.9
145.32646	0.3
150.97990	2.6
152.99600	100.0
153.99956	1.3
171.00648	3.9
186.22371	0.3
199.74631	0.3
281.24847	0.9
435.25165	6.8
436.25427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3116
Annotation	Stolonic acid B
Peak:m/z	Relative Intensity
55.02161	0.4
59.01380	0.5
67.32795	0.3
69.07478	2.4
69.27336	0.3
70.74117	0.3
73.84181	0.3
98.21938	0.6
127.00541	0.3
137.09756	0.8
182.34946	0.4
301.99997	0.4
303.00507	0.6
341.24744	0.5
341.28482	3.1
355.26672	1.6
357.23752	0.6
357.28021	8.2
357.32446	0.5
358.28189	1.1
369.27939	2.7
387.29028	0.9
389.30780	8.1
390.30573	0.5
435.31174	100.0
436.31534	14.5
437.32813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00773	0.4
59.01387	0.7
61.98829	1.0
80.02675	0.4
83.67813	0.4
92.35571	0.3
94.83537	0.3
96.80296	0.4
98.22787	0.6
137.09732	0.9
233.57317	0.4
301.99710	0.6
341.24863	0.5
341.28461	2.8
355.26346	1.9
357.27979	7.7
358.28378	1.1
358.91959	0.4
361.27472	0.5
369.28091	3.3
371.29495	0.7
373.27692	0.5
387.28937	0.4
389.25854	0.8
389.30655	13.9
390.31226	1.9
435.31177	100.0
436.31512	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	436.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
59.01385	27.8
61.98831	14.3
67.33254	1.8
68.03550	1.3
70.01576	3.4
70.01968	2.8
70.85155	1.5
71.01384	22.1
73.02935	5.4
83.01382	3.7
85.02951	8.3
87.00872	3.3
89.02450	14.8
91.83896	1.5
95.01393	3.3
97.02949	1.7
99.00848	2.5
101.02462	15.2
107.01422	2.3
108.02168	2.2
109.02944	2.6
111.00899	3.4
111.05775	1.5
113.02434	7.6
117.05553	1.6
121.99124	1.6
123.00887	16.3
123.04519	4.0
124.01689	11.4
125.02441	17.5
131.03517	4.4
135.04584	1.8
136.03069	1.6
139.00389	3.7
140.01122	2.5
141.01935	2.5
145.01462	3.0
151.00343	12.0
152.01057	2.0
153.01936	4.2
161.04625	3.5
168.00653	4.3
169.01450	27.4
193.02965	2.4
203.83978	1.5
209.02475	5.6
225.01973	1.7
233.06729	2.3
237.01900	5.6
249.02072	2.4
253.01295	3.6
265.01392	4.7
281.01013	4.4
293.01025	2.7
300.99930	2.0
305.16052	6.8
309.00290	5.8
313.05679	3.0
321.00449	20.7
332.08490	1.8
336.99985	11.0
349.00055	3.7
364.99423	49.3
373.11407	100.0
374.11862	8.1
376.07431	3.7
377.08405	7.1
392.99133	9.3
436.97858	62.8
437.06662	3.4
437.11905	8.1
437.20154	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	436.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08564	2.6
59.01383	100.0
60.01710	17.9
61.01811	15.7
61.98839	56.2
68.61630	2.7
69.11034	17.9
71.01379	12.3
73.02962	2.7
75.00874	4.1
75.88601	2.6
77.17899	2.7
85.02965	3.2
89.02487	3.4
101.02465	5.4
108.21940	2.6
123.04544	5.5
125.02449	4.9
161.04575	3.0
169.01372	6.2
179.05632	8.0
181.02937	3.2
193.02907	3.2
237.01987	5.9
281.00906	3.4
297.90668	2.8
309.00497	7.3
321.00626	17.7
337.00070	13.1
343.79883	3.0
348.99759	6.8
364.99380	52.6
368.20895	2.7
392.98895	9.3
436.97852	55.2
437.10724	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	437.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36827	0.6
51.96873	0.6
58.45659	0.5
59.01382	5.6
65.00343	0.7
67.01874	1.3
69.03457	1.0
69.68064	1.2
69.68446	1.6
71.01387	6.4
72.99320	0.7
73.02945	2.7
79.01911	1.0
81.03462	0.9
83.01399	1.6
84.89877	0.5
85.02959	2.9
87.00891	1.2
89.02454	1.8
93.03464	7.6
95.01410	1.5
96.96016	0.6
97.02938	1.4
99.00892	1.4
99.92605	1.0
100.93400	1.0
101.02447	4.1
102.72131	0.6
107.01402	8.7
108.02231	1.3
109.02962	5.4
111.00877	1.8
113.02448	2.9
116.92876	6.7
119.03495	0.6
119.05009	0.7
121.02973	20.9
122.03366	0.8
123.00900	13.7
123.04533	22.1
124.01685	12.2
124.04873	1.0
125.02461	47.1
126.02831	1.3
135.04541	0.8
136.98860	1.2
137.02530	0.7
139.00397	2.4
139.04021	1.7
140.01186	2.2
141.01976	2.4
151.00378	9.3
151.04007	0.6
152.01083	0.7
153.01962	8.2
161.02388	0.8
161.04564	1.2
163.04060	1.2
164.58728	0.5
165.05559	0.7
167.03528	1.2
168.00648	3.5
169.01448	61.2
170.01805	2.2
177.03534	0.9
179.03554	0.6
181.02986	1.5
181.05232	0.7
185.75874	0.6
190.02765	1.7
191.03600	4.2
191.05333	3.2
193.01407	0.9
193.02931	3.5
195.03033	1.1
197.02425	2.6
201.11333	7.1
209.02451	3.3
211.02539	1.8
219.03006	6.2
221.02440	1.2
225.01845	3.0
237.01947	4.9
238.09193	0.5
241.03621	1.2
249.02002	0.8
253.01382	3.7
253.03722	0.9
253.09373	1.6
263.02023	7.6
265.01465	3.8
281.00943	4.4
293.00919	2.7
297.06180	2.3
300.99866	1.8
305.16110	1.9
309.00415	7.1
310.00754	0.6
311.07654	0.7
313.02066	1.2
313.05685	21.9
314.06042	1.4
319.99716	1.0
321.00400	15.7
322.00870	2.0
324.99597	0.5
336.99918	9.4
338.00677	0.6
348.99951	6.6
349.64465	0.6
357.00760	1.7
364.99414	45.2
365.99664	4.4
392.98892	7.8
393.99109	0.8
436.97949	57.3
437.10983	100.0
437.20569	3.4
437.98325	6.1
438.05524	0.9
438.11319	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	437.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57977	1.0
59.01383	100.0
60.01732	1.2
69.03441	0.8
69.36524	4.7
71.01379	7.1
72.99336	1.1
73.02942	2.5
74.31340	0.8
85.02966	2.8
87.00844	0.8
88.19411	1.0
89.02442	3.2
95.01395	1.2
96.96016	1.1
97.02974	0.9
99.00861	1.6
99.22069	0.9
101.02437	4.1
107.01406	2.3
108.02199	4.6
109.02956	5.2
113.02442	2.7
123.00903	3.6
123.04531	2.7
124.01686	3.8
125.02450	15.5
127.11102	1.0
138.36874	0.9
141.01894	0.9
151.00388	3.4
152.01180	3.6
153.01938	6.8
157.08754	2.0
161.04541	2.3
164.04800	1.2
165.03461	0.9
169.01443	18.4
169.02798	0.7
171.04430	0.9
179.05675	1.2
181.02916	2.4
193.03001	4.2
197.02467	3.2
201.11365	2.9
203.20110	0.8
209.02432	4.4
221.02499	1.7
223.02563	1.1
225.01993	3.9
237.01895	6.4
249.01888	1.6
253.01418	6.1
265.01392	4.1
275.01944	0.9
281.00961	4.6
283.04672	3.1
293.00946	3.5
302.99960	1.0
304.00256	0.9
309.00446	9.0
310.00488	0.8
319.99487	1.4
321.00421	18.7
336.99933	11.7
348.99884	6.2
364.99411	57.1
365.99591	6.2
367.00854	1.9
377.18280	1.5
391.23523	1.8
392.98816	10.1
393.08392	2.3
419.06232	2.8
436.97916	73.5
437.06375	18.4
437.11945	3.7
437.20059	2.1
437.98206	8.2
438.07227	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	437.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
57.03448	1.0
59.01385	100.0
60.01714	0.7
69.03460	1.1
69.20132	2.3
69.20553	1.0
71.01389	9.6
73.02964	2.1
75.00880	0.6
79.01894	0.7
83.01394	1.6
85.02966	3.5
87.00881	1.0
89.02435	4.2
95.01418	1.0
97.02967	1.1
98.21869	1.1
99.00923	1.9
101.02445	5.9
107.01389	3.8
108.02193	7.0
109.02981	6.5
111.00897	0.8
113.02451	3.2
117.48867	0.5
119.03563	1.6
120.14696	0.4
123.00892	5.0
123.04557	2.6
124.01691	3.3
125.02464	18.6
135.00905	0.6
135.04591	0.7
139.00436	0.8
140.01170	0.8
141.01994	1.1
143.10852	1.0
145.01427	0.9
149.02472	1.0
151.00388	3.6
152.01176	6.6
153.01950	9.6
153.03192	0.6
157.08685	1.3
159.03041	0.8
161.02419	0.6
161.04562	3.8
161.84895	0.5
163.02644	0.5
163.04074	0.6
165.03572	0.5
168.00661	1.7
169.01451	20.0
170.01799	0.8
171.10274	0.6
177.03514	0.7
179.05617	0.6
181.03021	2.1
193.03027	2.1
194.99265	0.6
197.02556	1.7
201.11325	4.8
208.99248	0.6
209.02422	2.7
223.02591	1.7
225.02002	2.1
225.07721	0.6
237.01909	4.6
249.02036	1.4
253.01430	2.5
253.09340	1.0
265.01440	3.7
275.02020	0.6
281.00974	4.1
283.04599	3.4
285.06274	0.9
293.00992	2.2
300.99966	0.7
302.00092	0.7
303.00284	1.2
304.00385	0.8
305.00986	1.1
305.16260	1.0
309.00421	5.3
310.00806	0.7
319.99780	0.7
321.00424	13.4
321.04117	0.8
322.00851	1.7
331.08209	1.0
335.99155	1.2
336.99939	9.6
348.99963	3.9
350.00259	0.7
361.06903	0.9
364.99396	37.6
365.99744	3.7
367.01260	0.7
377.18338	1.1
386.69742	0.6
391.23630	2.1
392.98883	7.0
393.07932	3.2
419.06149	3.9
436.98044	45.8
437.07385	25.1
437.12418	1.0
437.20297	1.4
437.24973	0.6
437.98428	4.0
438.07233	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	438.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70397	0.4
51.91542	0.4
61.98835	100.0
62.08590	0.4
63.37897	0.5
69.74276	1.6
98.21922	0.7
140.43654	0.5
165.05603	0.7
201.31641	0.4
223.42863	0.5
337.00317	0.4
357.66138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80776	0.5
57.71862	0.5
59.01376	1.0
61.98834	100.0
69.86676	1.0
71.01398	0.8
78.95927	1.4
96.96021	1.3
96.97006	1.4
101.22040	0.4
103.22526	0.4
117.02016	0.7
123.00955	0.6
125.02485	1.9
128.03560	0.8
164.52161	0.4
168.01587	0.8
169.01457	1.2
189.01976	0.8
196.63394	0.5
199.01028	1.3
204.00388	0.9
205.01471	0.8
232.00092	0.5
246.67830	0.5
247.05898	0.8
301.00168	1.0
307.09067	0.7
352.98621	0.5
438.04218	0.6
439.09015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.5
61.98834	100.0
71.01393	3.3
89.59773	1.1
98.21789	2.6
99.00867	1.5
106.24975	1.3
124.01736	1.4
125.02459	2.9
125.93429	1.2
145.01387	1.4
169.01440	3.8
184.58423	1.1
281.33197	1.2
286.05814	1.6
286.56155	1.6
289.16534	2.3
326.05743	1.3
366.00067	1.9
367.01041	3.1
437.98059	4.8
439.15781	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	438.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16323	1.0
59.01384	10.6
61.40049	0.9
61.98837	100.0
69.07791	1.0
69.25356	3.7
69.25761	1.8
71.01375	1.4
83.01398	1.1
83.48790	1.1
89.02447	1.5
89.38515	1.0
95.01460	1.2
97.53075	1.1
98.21909	2.3
99.00893	5.1
101.02434	2.0
105.97152	1.1
107.01399	1.5
117.01942	1.5
123.00903	6.3
124.01705	4.9
125.02484	6.6
133.02991	1.3
134.03769	2.0
145.00378	1.5
145.01447	18.4
151.00359	2.1
168.00653	2.5
169.01437	9.0
177.01918	2.2
205.25453	1.2
211.02509	8.2
248.01376	1.0
268.14496	1.2
271.04614	7.8
322.00696	1.3
365.99924	1.7
367.00702	2.6
375.20245	6.8
437.98193	3.0
438.19998	1.4
438.99545	1.2
439.16129	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99602	0.5
59.01379	0.8
69.43310	2.2
78.95911	27.9
79.95759	1.5
84.51621	0.5
89.02428	0.8
96.96023	100.0
96.96973	58.5
98.21883	0.9
107.56036	0.5
111.00948	0.6
115.48809	0.5
128.03578	1.8
147.26149	0.5
168.01505	2.9
220.04704	0.7
243.09866	1.7
247.05684	1.0
265.06870	2.2
333.78320	0.5
341.10822	1.2
451.49631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54096	0.3
59.01385	2.1
63.47555	0.3
70.23180	0.5
70.23512	0.4
71.01391	0.9
72.99309	1.1
73.20401	0.3
78.95914	45.7
79.95751	0.3
87.00884	0.9
89.02437	1.8
96.96063	11.4
96.96972	100.0
98.22636	0.4
101.02473	0.7
103.00378	1.0
111.00871	0.5
113.02454	0.4
113.95277	0.3
119.03484	0.4
122.45769	0.3
126.34451	0.4
128.03571	0.5
133.01425	0.4
159.24243	0.3
179.05623	0.7
198.14427	0.3
243.09846	0.5
334.89401	0.6
341.10889	2.3
439.08478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
69.51174	1.2
71.01378	0.5
73.46780	0.4
78.95914	43.7
79.70270	0.4
79.95739	1.2
87.00893	0.5
89.02462	0.7
96.96025	41.8
96.96974	100.0
98.21848	0.6
111.00938	0.5
128.03525	0.7
168.01537	1.1
179.05614	0.4
219.16605	0.4
241.00357	0.4
243.09807	0.8
247.05894	0.5
265.06860	0.5
341.10797	0.7
439.08640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.7
59.01388	1.7
60.21391	0.7
61.01014	2.5
69.03458	1.3
69.67536	2.7
71.01389	2.6
73.29208	0.7
81.03456	2.8
83.01403	3.9
85.02945	1.7
85.61828	0.9
87.00914	1.1
93.03463	6.9
95.01422	1.1
97.02947	1.2
98.22593	1.4
99.04525	0.8
102.45007	0.9
107.01398	4.9
107.04984	0.8
109.02941	3.4
111.00897	1.8
111.04537	2.5
113.02460	1.0
117.03500	1.2
123.00925	6.9
124.01711	5.7
125.02467	84.2
126.02814	3.1
131.05077	1.6
133.06616	2.4
136.98775	1.1
137.02443	4.3
145.02937	1.8
149.02467	2.3
149.06081	1.0
150.03180	1.0
151.00456	4.2
151.04070	1.1
153.01953	1.4
157.55147	0.9
159.04552	3.9
161.02489	1.8
162.63844	0.8
163.03979	1.0
165.01959	1.4
165.05550	2.7
167.03535	2.1
167.04936	0.8
168.00693	2.3
169.01445	40.7
170.01671	1.0
173.02454	1.2
173.04576	2.9
177.02043	1.2
177.05582	3.2
179.03531	1.0
180.04361	1.0
185.02460	1.3
190.02698	1.0
191.03453	1.2
191.05609	1.8
193.01479	1.1
195.06693	2.5
199.04184	7.1
201.01822	1.1
203.03539	11.1
211.02525	4.7
213.01749	1.0
217.05252	26.1
218.05516	0.9
229.01422	2.8
247.02443	1.7
257.00977	1.7
265.05252	2.4
269.98169	1.1
271.04684	5.0
275.02026	5.7
287.05847	3.7
298.98233	1.1
299.99136	1.9
300.99899	16.0
301.40076	0.9
302.00101	0.9
306.98410	4.3
307.06238	1.4
313.05704	25.6
314.06009	1.9
319.97287	10.5
320.05661	0.9
330.04919	1.0
356.95673	5.7
367.00900	5.1
370.93686	1.5
371.94403	1.8
391.03174	1.9
395.00525	1.6
398.96738	5.6
421.04074	0.9
439.09634	100.0
440.09628	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	439.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
69.03452	2.6
71.01391	1.8
74.23087	0.3
76.82141	0.4
79.01913	1.1
81.03466	1.3
83.01396	1.1
85.02951	0.9
93.03481	0.4
95.01392	1.7
96.65990	0.4
96.95979	0.4
97.02959	3.2
101.02479	1.0
107.01406	7.3
111.00883	1.0
113.02464	1.2
115.30019	0.3
115.50574	0.3
122.03730	0.6
123.00910	7.0
124.01689	9.0
125.02464	100.0
126.02800	3.2
127.00387	0.5
135.02998	1.5
136.98907	0.6
137.02480	1.1
139.00424	1.1
140.01183	1.9
141.01971	0.8
149.02477	2.1
150.03249	5.1
151.00391	3.9
151.04028	0.7
153.01979	0.4
161.02444	0.4
164.04761	0.5
165.01947	3.3
165.05614	5.5
167.03511	0.8
168.00659	1.9
169.01448	34.4
170.01822	1.3
179.03574	0.4
180.04288	2.2
189.01944	0.4
195.06641	9.1
196.07014	0.6
197.21387	0.4
211.02513	0.8
223.02554	0.5
241.03587	0.7
243.08655	0.4
253.03629	0.4
271.04684	0.8
287.04492	0.7
287.07715	5.6
288.08154	0.5
297.06097	1.0
300.99939	0.8
313.05688	16.0
314.06027	1.0
321.46439	0.4
331.11810	1.0
340.99304	0.7
367.00903	3.9
368.01831	0.6
391.13889	0.8
395.00455	1.6
396.00851	0.4
439.08853	65.6
440.09210	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	439.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01386	8.5
61.98819	0.6
65.96846	0.5
68.99811	0.8
69.03465	1.6
69.45074	2.7
69.69694	0.5
71.01384	8.4
72.99321	1.5
73.02948	1.8
75.00929	0.7
75.12068	0.5
79.01930	0.6
81.03474	1.5
83.01418	1.1
85.02979	1.4
87.00882	0.9
89.02480	1.6
93.03482	1.0
95.01411	2.1
96.96054	1.3
97.02972	2.4
98.21911	0.7
99.00893	5.3
101.02449	3.9
107.01396	11.2
109.03010	1.2
111.00903	1.1
111.76607	0.5
113.02459	2.8
117.01951	2.4
121.02998	0.8
121.72633	0.5
122.03763	0.7
123.00891	10.5
123.04534	1.1
123.16659	0.5
124.01696	7.3
125.02463	77.7
126.02819	2.7
133.02992	1.2
137.02477	1.3
139.00385	1.9
139.04050	0.6
139.82970	0.8
140.01180	1.3
141.01958	2.0
145.01445	20.5
146.03738	0.7
149.02464	1.5
149.04575	0.9
150.03229	7.4
151.00380	6.7
151.04047	1.8
152.01047	0.6
152.04399	0.6
153.01991	0.8
163.00511	0.5
163.02513	4.3
163.03920	1.0
164.04747	0.8
165.01903	3.4
165.05588	8.1
167.03481	0.9
167.49277	0.5
168.00645	3.1
169.01443	100.0
170.01773	3.6
175.07666	2.1
176.04771	1.2
177.01959	0.6
177.09264	2.0
179.03613	0.6
180.04285	2.9
187.07690	0.9
189.01965	0.6
191.03516	0.9
191.05522	0.7
193.01382	0.8
195.06651	10.9
199.07597	0.6
201.09222	0.6
202.06352	1.2
205.01402	1.1
205.08723	1.6
207.03183	0.6
211.02553	1.4
217.05302	0.6
219.10320	2.2
231.02887	0.7
231.10312	2.0
241.03532	3.8
243.03059	0.6
249.11349	6.3
253.03838	0.6
255.58528	0.6
275.01965	1.8
287.07748	1.1
293.10416	1.7
301.00006	3.0
313.05682	24.4
314.05981	1.4
323.01611	0.8
330.16290	0.5
359.07669	1.5
367.00922	2.3
379.16034	1.8
381.20651	0.5
390.52551	1.3
391.13989	0.6
392.99115	0.5
395.00409	0.8
401.10782	0.7
439.08844	96.5
440.09149	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	439.1057
Annotation	Pongamoside A
Peak:m/z	Relative Intensity
53.15565	0.6
55.01855	0.6
57.03455	3.0
59.01384	1.0
61.01025	1.8
69.71535	1.0
69.71877	2.0
71.01396	1.8
72.65424	0.7
81.03477	1.1
83.01402	1.5
88.60403	0.7
93.03464	8.4
95.01434	1.2
96.96008	0.8
107.01434	2.4
107.05094	0.9
109.02947	4.8
111.00903	1.6
111.04558	2.2
113.02499	1.0
117.03487	1.5
123.00861	3.6
124.01670	4.0
125.02462	36.3
126.02796	0.7
129.31252	0.6
131.05107	2.0
133.03006	0.9
133.06648	3.0
137.02441	4.7
139.00392	0.7
145.02979	1.5
147.04605	0.9
149.02505	0.9
149.06152	1.7
150.03294	1.3
151.00385	1.7
153.02011	0.8
155.05272	1.6
159.04538	6.0
165.01886	1.1
165.05591	1.8
168.00728	1.9
169.01450	18.0
169.02791	1.2
173.02451	0.8
173.04587	3.9
175.04044	0.7
177.05580	3.3
180.04276	0.9
191.03659	1.3
191.05693	1.8
195.06743	1.7
199.04205	9.4
201.01973	0.9
203.03503	12.7
204.03868	0.8
211.02557	1.8
216.05664	1.1
217.05257	35.8
218.05733	1.9
229.01503	1.2
245.01067	0.7
247.02629	1.9
247.05473	0.6
257.01132	0.9
265.05347	2.1
271.04675	2.0
273.00375	0.9
273.33707	0.6
275.02060	2.9
283.98434	0.7
287.05807	4.4
300.99890	10.9
306.98431	3.3
307.06238	1.3
313.05719	9.3
313.09235	1.0
319.97214	7.1
356.95819	2.7
367.00989	3.2
371.94388	0.9
376.53091	1.4
377.03397	1.4
395.00580	0.9
398.96622	3.2
421.09872	1.5
439.10495	100.0
440.10858	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	439.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56406	0.2
66.07659	0.3
70.60120	0.3
71.01395	0.2
79.95753	7.4
80.96552	0.2
82.68737	0.2
83.01361	0.2
83.82273	0.2
96.50224	0.2
96.96021	100.0
98.95613	0.3
99.00887	0.5
110.97582	0.6
121.02962	0.3
125.07127	0.2
134.03703	0.2
136.55421	0.2
137.02435	0.8
145.01425	1.2
149.91003	0.2
151.04048	0.3
202.38466	0.2
229.31982	0.2
269.08176	2.1
271.09756	0.3
281.08356	0.4
299.09418	1.4
300.09674	0.3
314.11667	1.9
344.67609	0.2
395.74524	0.2
424.08313	0.3
439.10709	35.4
440.11111	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	439.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21820	0.5
59.01381	3.6
66.15749	0.5
69.46023	2.1
71.01403	0.7
71.01809	0.5
93.03468	1.8
96.96000	0.8
98.22565	1.2
105.03491	0.5
113.02415	0.6
115.31992	0.5
121.02995	2.9
122.03754	6.4
123.00930	1.0
123.04539	0.5
125.02444	1.4
133.02957	0.8
135.04514	0.6
136.01692	0.7
136.41154	0.6
137.02449	4.9
137.06096	1.0
138.57164	0.6
145.01457	1.3
149.02457	19.3
150.03235	51.9
151.03654	2.2
164.04782	6.1
165.00537	0.9
165.01941	27.2
165.05580	61.0
166.02322	1.2
166.05925	2.5
169.01410	1.1
180.04297	25.7
181.04816	1.7
183.06696	0.5
195.06631	100.0
196.06970	4.3
231.03192	0.6
241.05298	0.5
243.08826	2.6
275.01898	1.0
300.99774	0.9
301.07217	2.8
301.11163	0.5
316.09534	1.8
331.11893	9.9
332.12296	0.8
340.99280	0.7
359.07626	0.6
367.00858	2.2
390.52524	0.6
391.09259	1.1
391.14023	16.4
392.14288	2.0
395.00211	1.0
438.99075	1.1
439.16342	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51639	0.6
55.01870	0.9
56.28206	0.6
57.03447	1.7
59.01372	4.1
71.01376	2.8
71.42355	0.9
72.99320	1.4
79.40190	0.7
83.01398	1.2
87.00883	0.9
89.02436	1.3
93.03464	1.3
95.01386	1.6
99.00896	15.6
101.02459	4.7
109.03011	1.0
110.02515	0.7
113.02520	0.9
117.01974	5.6
121.02979	2.7
122.03754	10.7
123.00915	0.9
125.02442	3.7
125.23134	0.6
133.02966	1.3
135.04587	1.3
136.01656	1.0
137.02415	4.0
145.01442	53.7
146.01772	1.1
146.63005	0.7
147.04550	1.2
149.02452	12.0
150.03241	75.1
151.03583	3.5
161.04567	1.0
162.03207	0.9
163.00403	0.9
163.02509	12.3
164.04799	2.9
165.01941	25.0
165.05577	76.4
166.02335	1.2
166.05946	3.0
169.01451	2.6
173.02502	0.9
173.06088	0.8
175.03960	0.8
175.07677	1.9
176.04840	3.1
177.01895	0.9
177.09235	8.2
180.04301	23.8
181.04704	1.3
187.07684	2.6
189.01933	0.7
189.05783	0.8
194.57446	0.9
195.06635	100.0
196.06976	4.7
201.09056	0.8
202.06436	2.0
203.10838	0.8
205.08765	5.0
211.02412	1.5
213.01900	0.9
219.10292	1.4
229.01416	1.0
231.10280	3.5
235.06001	1.1
248.03288	0.8
249.11346	17.5
250.11713	1.4
271.04739	1.4
275.01926	1.9
293.10403	3.3
299.99200	0.9
300.99979	4.5
362.41605	0.7
367.00931	4.0
382.02704	1.0
390.52850	3.9
391.02686	1.6
391.14459	1.0
395.00351	1.4
396.10526	0.7
397.45990	0.8
405.39996	0.8
421.11353	2.9
438.99112	1.6
439.12094	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	439.1615
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
54.03138	0.9
59.01386	8.2
69.15526	3.9
69.15936	1.5
71.01388	4.9
71.83264	0.8
73.17422	0.9
75.00855	0.9
81.03468	1.0
85.02976	2.0
89.02441	1.9
95.01402	2.7
97.02943	1.5
98.22669	2.1
99.94229	1.1
101.02444	2.2
107.01389	5.4
109.02882	1.2
111.00902	2.4
113.02421	1.3
118.36290	0.8
120.91808	0.9
123.00895	14.9
123.91283	0.9
124.01690	16.2
125.02457	25.9
136.98866	2.6
139.00406	4.8
140.01175	7.0
141.01955	2.2
151.00380	9.7
151.82544	1.0
154.99982	0.9
168.00674	10.2
169.01453	32.3
177.04037	4.2
211.02522	2.8
233.11856	1.3
271.04688	1.9
295.93198	1.0
297.06119	3.1
300.99753	1.0
308.17038	1.1
329.05328	1.5
367.00916	1.9
439.16089	100.0
440.16458	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	439.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70537	0.6
55.85550	0.5
57.03479	1.0
59.01385	100.0
69.37029	3.2
69.77953	0.7
69.81377	0.6
71.01393	10.7
73.02951	8.1
78.69467	0.6
83.01414	2.0
85.02940	3.3
89.02445	3.9
95.01406	1.1
96.96036	1.4
98.21928	1.0
98.92596	0.6
99.00918	0.7
101.02464	8.6
113.02462	5.6
119.03551	1.9
141.01726	14.2
161.04591	3.7
187.49286	0.7
232.80615	0.6
263.46472	0.6
313.97064	0.9
315.18256	2.2
328.99182	0.8
359.04211	2.0
367.00870	5.6
395.00644	1.8
397.18530	2.7
398.18768	0.9
429.91165	0.8
430.73456	0.8
438.99326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3219
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
50.07916	0.6
50.83922	0.6
53.80135	0.6
58.73479	0.6
59.24310	0.6
60.40086	0.6
62.08332	0.8
69.21741	2.5
69.22148	1.6
98.22627	1.6
102.27759	0.6
115.46705	0.6
117.62606	0.7
199.45435	0.7
226.38756	0.7
245.83395	0.7
311.16910	0.7
367.00970	3.2
391.30231	0.7
395.00342	1.4
438.98965	0.9
439.32199	100.0
440.32489	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	441.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
69.43713	2.1
71.01380	1.7
80.99905	0.4
98.22766	0.5
125.02452	1.0
150.03249	0.9
151.03751	0.4
161.02438	1.0
165.01863	0.4
165.05557	0.9
169.01416	1.5
177.01988	0.4
180.04326	0.7
185.02527	0.5
193.01463	0.6
195.04535	1.1
195.06628	0.9
201.02049	0.6
207.04633	0.6
213.02068	0.6
213.05530	0.7
214.02701	0.8
215.03661	0.5
223.03992	1.4
230.02266	0.5
239.03510	0.8
241.01443	0.6
241.05347	0.6
245.00978	0.6
247.02519	0.5
251.03514	2.1
253.04959	0.5
254.02223	0.5
258.01755	0.9
263.03458	0.7
267.02942	1.2
268.03757	0.7
269.00885	0.8
269.04523	0.6
270.98895	0.6
271.04538	0.7
271.99493	0.4
273.00397	0.8
279.02954	1.6
281.00977	0.5
281.04532	0.5
283.99496	0.6
285.00394	1.2
285.03738	0.5
286.01169	1.3
291.73038	0.4
295.02417	2.2
296.02942	0.7
297.00427	2.8
297.04001	1.2
298.01080	1.0
299.99200	4.3
300.99936	1.8
306.01944	0.7
307.02435	1.1
309.00549	0.6
312.99969	1.3
313.03424	0.9
314.00717	6.3
322.01245	2.2
323.02127	3.2
324.99927	13.1
325.03564	1.4
326.00552	2.7
327.01553	1.1
334.01129	1.2
335.02005	4.5
339.00964	0.6
339.98569	1.2
340.99292	0.9
341.03058	8.1
342.03482	0.8
351.01520	6.0
352.01730	1.1
352.99295	1.8
353.03101	1.7
354.00198	1.9
355.01025	0.6
369.02463	7.1
379.00998	24.5
380.01437	2.8
397.02036	100.0
398.02325	9.0
441.01089	11.7
441.10455	0.8
441.16537	0.7
442.01315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0342
Annotation	PD173955
Peak:m/z	Relative Intensity
59.01383	8.9
61.98825	3.6
63.99245	1.4
70.02908	0.7
71.01376	2.5
77.58070	0.8
78.95889	1.1
79.95718	1.5
83.05024	0.9
85.01431	0.8
85.02959	13.4
87.00885	3.5
93.03470	5.4
95.01409	0.9
96.96021	59.1
106.72550	0.8
111.04554	1.2
113.02479	1.1
117.00468	1.2
123.00937	1.6
125.02425	2.1
127.04001	2.5
132.98180	1.2
137.02516	1.7
142.96649	5.5
143.91273	0.9
145.03056	0.9
146.89714	1.0
158.99876	1.3
159.01431	1.2
160.97696	1.9
168.01547	0.9
169.01479	2.2
171.02946	1.4
173.04630	1.3
174.99265	1.6
180.98236	5.1
182.99896	1.3
184.97717	14.0
185.01262	1.7
189.18167	1.0
191.05637	83.2
192.06035	2.5
194.96140	1.3
197.04573	1.6
198.61746	1.0
199.02885	1.7
201.02615	2.3
202.98779	9.3
210.99251	3.7
212.97281	2.8
217.00293	6.5
222.99330	4.0
224.97224	8.7
226.95143	1.3
239.95921	0.9
247.01410	1.5
249.00848	1.5
250.98553	2.1
257.00751	0.9
265.00476	1.6
266.98221	7.9
268.96161	1.0
271.01480	0.9
273.04697	4.7
275.01920	1.4
276.80447	1.0
289.02457	20.7
290.02719	1.5
298.99652	1.1
301.00003	3.3
337.04330	1.4
340.97818	0.9
343.06720	8.9
353.01886	2.3
359.01443	2.0
381.01358	3.7
399.02396	3.0
422.98853	1.0
441.03525	100.0
441.16162	3.9
442.03955	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	441.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59506	0.8
56.36408	0.8
59.01386	39.0
61.98835	2.6
69.03461	11.5
70.69311	1.2
71.01393	16.9
73.02954	25.5
75.86028	1.0
83.01384	1.4
85.02936	8.3
87.00917	1.2
87.04552	1.2
89.02457	12.4
95.01429	1.8
95.04930	0.9
96.95999	1.6
97.02958	3.8
99.04513	1.2
101.02453	10.4
109.03013	2.6
111.00872	1.1
111.04539	1.8
113.02464	100.0
114.02805	2.7
117.05588	1.0
119.03522	4.3
119.05035	1.8
120.18087	0.8
123.00953	1.2
124.01690	1.1
125.02489	4.7
125.06156	0.9
127.04032	24.0
131.03548	1.0
133.05086	6.9
134.05382	1.1
135.04552	1.1
137.02492	1.5
143.03499	1.2
145.05081	55.3
146.05450	1.3
151.06139	9.2
155.03555	1.6
161.04541	3.3
163.03954	1.7
169.01381	4.8
169.05119	2.3
171.06633	1.3
173.02345	0.9
175.06122	5.8
179.05643	1.2
185.04555	1.5
187.06114	1.0
203.03668	1.0
205.07088	1.7
211.02499	1.7
211.04399	0.9
215.05580	1.1
217.07204	1.7
229.01443	1.4
263.11313	3.0
270.98398	1.1
271.04700	1.6
275.02014	2.7
281.12619	1.4
295.10342	18.0
299.98993	1.0
300.99911	10.8
302.00256	3.4
306.98108	1.3
313.11472	4.2
319.97241	1.3
320.47455	3.8
323.13464	1.2
337.15112	1.9
356.95709	1.4
357.95889	1.4
397.02072	2.6
398.96640	1.5
441.01132	1.3
441.11035	5.0
441.16068	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.21853	0.2
57.03453	0.7
59.01387	3.9
61.46532	0.2
65.00353	0.2
67.01900	0.8
68.99826	0.2
69.03467	1.2
71.01392	4.5
72.99322	0.7
73.02948	1.5
75.00877	2.1
78.01115	0.9
79.01899	1.5
81.03464	0.3
82.00618	0.5
83.01394	1.1
85.02963	3.5
86.00119	0.4
87.00897	0.6
89.02460	0.5
95.01398	1.8
97.02963	1.2
99.00890	1.2
101.02467	2.8
104.37746	0.2
106.00629	0.2
107.01405	5.8
108.84961	0.2
110.00130	0.2
111.00908	1.6
113.02447	1.2
123.00901	17.0
124.01687	15.5
124.02641	0.3
124.03030	0.3
125.02466	26.1
126.02808	1.0
127.00388	0.5
127.11292	0.3
129.01964	0.9
136.98796	1.1
137.02435	0.4
139.00388	2.8
140.01189	2.7
141.01973	3.2
151.00391	9.6
152.00801	0.3
153.01935	0.9
154.69328	0.2
159.03026	0.7
168.00664	3.6
169.01440	33.7
170.01761	1.1
171.16766	0.2
177.04060	7.9
181.05157	0.5
211.02551	0.8
223.02510	0.3
311.04260	0.3
313.05667	0.9
329.05286	2.0
366.77893	0.2
403.26364	0.2
441.17676	100.0
442.18015	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	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03450	2.6
57.60782	0.9
58.00594	1.7
59.01385	100.0
60.01724	1.0
69.03450	0.9
69.16901	6.0
71.01391	47.5
73.02959	3.3
83.01396	3.1
85.02959	11.4
87.00900	2.1
89.02454	47.6
95.01404	3.9
96.96034	1.8
97.02953	2.0
99.04463	0.9
101.02451	31.5
107.04977	1.3
109.02977	10.0
109.06646	0.9
113.02460	18.4
119.03522	23.9
122.03726	1.2
123.04539	3.2
124.05305	2.9
125.02453	16.0
131.03516	2.1
133.06610	12.9
137.02473	3.7
137.06050	1.8
139.07664	14.9
143.03548	2.6
149.02438	1.2
149.04605	1.7
149.06084	2.9
150.06894	1.0
151.04048	1.3
151.07687	1.6
158.05283	1.2
161.04593	8.8
165.01938	1.2
169.01453	23.7
169.08766	2.0
170.01805	1.2
179.05585	5.1
187.11237	1.6
203.07111	2.3
204.11533	1.5
205.05086	1.3
205.12332	3.4
217.12329	4.9
235.13429	2.9
245.08067	1.3
261.11465	1.6
271.05997	1.5
276.50818	1.0
289.07220	11.6
290.07520	2.1
296.90649	0.9
330.09479	1.9
330.13235	27.5
331.13995	13.0
397.18640	4.7
441.07947	3.2
441.17676	68.8
442.17966	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	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04160	1.1
55.01885	1.7
57.03440	5.3
59.01384	51.4
68.46468	1.3
69.03445	2.1
71.01020	2.4
71.01388	29.7
72.29831	1.2
73.02937	2.7
81.03453	2.7
83.01398	2.2
83.05019	1.9
85.02957	5.7
87.00878	1.4
89.02455	28.1
95.01382	4.0
95.05069	1.8
96.96028	4.1
97.02958	3.8
97.06615	1.5
99.00920	2.0
99.04536	1.7
101.02448	16.6
107.01395	3.1
109.02977	1.9
113.02473	9.8
119.03492	9.5
120.98354	1.2
121.02911	2.0
121.06606	5.6
123.00922	2.6
123.08174	1.7
124.01681	3.6
125.02451	21.7
125.06088	3.9
131.03520	2.5
137.02444	1.3
139.00394	1.6
139.07690	2.4
143.03539	2.0
147.04550	6.7
147.11868	3.0
149.04578	1.9
151.00401	3.1
151.03990	1.5
151.07664	20.1
151.11234	1.5
161.04578	3.8
167.07176	2.8
168.00627	1.8
169.01448	21.3
170.01816	1.4
171.11844	2.1
173.09709	3.4
175.11282	3.5
179.05618	9.4
179.07185	3.5
184.08981	6.1
187.11281	3.7
189.12834	7.8
191.05708	1.5
199.11250	6.7
201.09271	2.8
202.09955	4.5
215.10794	4.6
217.12323	43.9
218.12640	2.4
233.06717	1.6
235.13394	10.8
241.03607	3.4
248.76837	1.4
261.11325	5.0
279.12448	3.6
293.08719	2.6
300.99881	3.7
302.00339	2.2
303.00293	1.4
317.04041	5.2
317.54330	2.0
364.55475	2.6
366.06070	2.0
393.04471	2.1
397.02151	4.4
428.78006	1.5
441.00842	2.7
441.17719	100.0
442.18182	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	441.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33853	0.9
59.01386	100.0
59.44909	0.9
60.01701	1.2
61.98818	2.0
65.59595	0.8
69.03464	5.0
70.95616	1.6
71.01392	12.6
72.99316	1.0
73.02957	16.5
75.70814	0.8
83.01370	1.5
83.05015	0.9
85.02955	5.2
87.00886	1.2
89.02460	7.5
95.01405	2.1
97.02981	1.7
98.16719	0.8
99.00890	1.2
99.04533	1.1
99.92586	1.3
101.02470	8.4
109.02949	1.0
109.88666	0.9
113.02466	45.4
114.02814	1.5
116.92891	2.0
119.03548	2.3
119.05021	3.6
125.02477	3.1
126.49023	1.0
127.04010	10.0
133.05049	4.4
135.04559	1.4
137.02499	0.9
145.05083	25.5
151.06119	2.8
155.03471	1.0
161.04588	5.9
163.04036	6.5
169.01428	4.5
175.06131	3.1
179.05699	1.7
185.04623	1.2
185.48132	1.0
204.95973	1.0
211.02498	2.5
213.72688	1.1
229.01498	2.0
263.11368	10.4
271.04617	5.9
275.02048	2.1
281.12445	5.1
295.10333	7.5
300.99930	9.0
302.00290	3.0
307.48624	2.1
313.11450	2.5
320.47437	1.8
323.13583	7.1
397.01981	3.4
399.97192	1.1
441.10629	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	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27590	0.8
59.01384	100.0
60.01714	1.1
60.71116	0.8
71.01385	6.0
73.02951	5.9
83.01414	1.3
85.02942	1.3
85.36524	0.7
89.02013	0.7
89.02444	4.1
95.01435	0.9
98.22730	1.2
101.02491	4.0
113.02477	3.1
119.03484	0.9
125.02484	0.9
142.36095	0.9
161.04480	1.2
209.25821	0.8
211.13364	0.7
289.07050	0.8
441.17072	1.0
441.28943	2.4
444.34122	0.8
453.52292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25991	1.0
59.01386	100.0
60.01725	1.3
71.01382	3.8
73.02961	1.7
80.22411	1.0
85.02977	1.5
89.02447	3.2
101.02449	3.6
113.02466	3.4
114.60499	1.1
117.50523	1.1
123.00883	4.0
124.01678	3.3
125.02443	3.5
151.00420	1.5
169.01405	4.1
182.98471	1.0
217.00330	1.5
226.20674	1.1
286.86307	1.1
372.24307	1.4
441.17667	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	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87047	0.8
59.01385	100.0
60.01727	1.1
69.10870	4.6
69.70250	0.9
71.01398	4.3
73.02944	3.7
83.01393	1.2
85.02946	2.5
89.02457	2.9
101.02440	5.8
101.39152	0.8
101.40295	1.1
113.02448	2.5
119.03562	1.1
123.00871	1.5
125.02465	2.2
147.20894	1.1
169.01440	1.6
243.04796	1.0
399.23849	1.4
441.17722	8.1
442.18256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3379
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
65.84519	0.9
69.03454	1.2
71.05016	1.6
83.13166	1.0
96.96011	3.5
97.06607	2.6
111.08212	2.4
115.23885	1.1
126.08765	0.9
127.37143	0.9
177.25235	1.0
185.81720	1.0
189.12877	6.1
191.14459	10.9
289.21780	1.4
311.34760	1.0
338.59781	0.9
344.23276	0.9
405.31595	1.3
407.29630	2.0
421.31314	2.6
423.32687	14.0
424.33026	2.3
439.32013	1.0
441.33795	100.0
442.34171	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	442.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.66443	21.3
70.69447	21.0
70.84772	23.7
81.39777	16.7
92.67075	20.0
96.74498	18.8
129.84308	21.4
138.64980	19.2
162.03230	25.2
250.63591	19.6
442.25284	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.69448	0.5
59.01388	16.3
67.01875	0.6
69.03435	1.5
71.01395	9.1
71.40724	0.5
72.99266	0.7
73.02946	2.9
75.88145	0.5
77.44719	0.5
79.01898	1.6
81.03449	0.9
83.01376	2.0
85.02969	5.9
89.02467	2.6
95.01369	2.4
96.95992	1.8
97.02938	1.8
99.00845	0.6
101.02448	6.1
107.01404	6.7
111.00870	2.1
111.04491	2.0
113.02477	4.4
116.35834	0.5
117.03464	0.9
119.03519	1.1
119.04985	1.1
123.00902	20.4
123.04495	1.2
124.00879	0.8
124.01692	12.3
125.02464	32.7
126.02798	1.1
127.00258	0.6
129.05560	1.1
133.02953	5.2
135.04538	3.7
136.98849	0.9
137.02428	1.6
139.00441	3.4
140.01132	2.2
141.01912	2.2
145.02946	1.6
146.03688	0.7
149.99521	0.7
151.00386	12.8
153.01917	1.2
161.02463	19.0
161.04478	0.9
163.03915	0.9
164.04597	0.6
166.99858	0.9
168.00648	6.4
169.01450	42.2
170.01726	1.4
179.03462	1.4
179.07193	1.3
211.02512	6.2
247.02505	0.6
253.03419	0.8
271.04608	9.7
275.01910	0.7
291.10941	2.9
292.06958	3.6
300.99957	0.7
313.05695	4.7
327.08536	0.9
331.06799	0.9
363.07608	0.8
368.07657	3.7
406.50098	0.6
443.11713	100.0
444.06924	1.0
444.12274	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	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53079	0.4
55.01878	0.7
57.03438	0.6
59.01385	5.0
67.01886	0.8
69.89961	1.1
69.90277	0.5
71.01383	4.9
73.02963	2.4
79.01904	1.0
83.01394	1.4
85.02970	3.0
87.00876	0.7
89.02444	1.4
95.01397	1.7
96.96006	1.8
97.02957	1.6
98.22595	0.8
99.00854	0.6
101.02466	3.6
107.01402	6.9
110.00110	0.5
111.00871	1.5
111.04512	1.5
113.02459	2.4
119.03490	0.5
119.04993	0.7
123.00900	16.0
124.01688	10.8
125.02462	22.4
126.02808	0.6
129.05580	1.0
133.02963	0.9
136.98878	0.5
139.00383	1.5
140.01157	1.7
141.01950	2.1
145.03052	0.8
151.00391	9.3
153.01923	0.9
161.02448	3.7
168.00677	3.8
169.01448	30.8
170.01723	1.4
179.03477	0.8
184.86278	0.4
211.02469	1.8
253.03551	0.6
271.04599	1.3
291.10779	1.6
292.07007	1.0
313.05667	4.6
363.07562	3.4
368.07428	1.3
374.83026	0.5
443.11929	100.0
444.07791	0.5
444.12326	11.7
463.20984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01383	14.0
70.14214	0.8
71.01384	4.2
73.02912	1.6
83.01385	0.9
85.02958	2.5
89.02451	1.9
95.01382	0.8
96.96011	0.4
97.02995	0.5
98.22569	0.5
99.04581	0.4
101.02460	4.0
104.02779	0.4
107.01385	1.1
109.02851	0.4
111.04554	0.5
113.02460	1.5
115.00349	0.4
117.03458	1.7
119.03569	0.5
119.05058	0.5
123.00892	3.1
123.04536	0.5
124.01684	3.3
125.02455	5.8
132.02211	1.8
133.02965	31.6
134.03735	1.1
135.04550	8.1
135.07942	0.4
139.00366	0.4
141.01924	1.0
145.02957	3.3
146.03737	0.6
151.00398	1.6
161.02454	100.0
162.02785	4.6
163.03960	1.2
166.09048	0.4
168.00665	1.7
169.00145	0.7
169.01445	7.1
179.03503	4.2
179.07173	1.4
180.03726	0.4
191.70226	0.4
211.02475	4.3
220.05885	0.4
271.04636	5.7
291.10812	0.9
292.06979	0.9
300.99750	0.4
313.05688	0.8
331.06903	0.5
368.07498	0.7
443.15909	62.9
444.16010	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	443.1927
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.35694	0.6
55.01875	2.5
57.03453	2.0
58.00607	0.7
59.01387	52.1
60.01715	0.8
61.90528	0.7
68.99818	0.7
69.28476	3.8
71.01391	27.2
72.99303	0.8
73.02953	4.6
83.01398	5.1
85.02966	10.9
87.00885	2.1
89.02459	19.8
94.74625	0.6
95.01409	2.8
97.18846	0.6
99.00878	1.8
101.02456	22.3
111.00915	0.7
111.04535	1.5
113.02471	10.7
115.55797	0.7
119.03523	9.4
119.05008	2.2
121.06596	0.8
123.00936	0.9
123.04509	0.6
123.08130	0.8
124.01665	0.9
125.02490	3.2
131.05060	0.7
159.03014	0.7
161.02457	0.9
161.04539	1.4
163.04044	2.3
169.01430	4.3
171.11760	1.0
189.12920	1.5
211.02495	2.3
222.40945	0.7
235.60071	0.7
237.14949	1.4
244.41695	0.6
263.12958	0.9
271.04700	2.3
337.53647	0.7
342.11606	0.7
443.19263	100.0
444.12692	0.9
444.19571	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	443.1926
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.49980	0.7
55.01873	2.3
57.03446	1.0
59.01384	42.7
60.01717	0.8
60.80033	0.8
70.53035	1.1
71.01390	23.9
73.02953	5.4
83.01405	3.9
85.02959	8.2
87.00883	0.9
89.02454	16.4
89.13241	0.8
95.01398	1.9
99.00888	1.4
101.02457	19.5
113.02470	9.8
119.03523	7.7
125.02430	0.8
143.03500	1.2
161.04581	1.6
166.49405	0.7
189.12912	1.2
243.36455	0.9
276.83691	0.7
306.71924	0.7
443.19257	100.0
444.19540	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	443.1927
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.22335	0.9
52.26254	0.9
55.01870	1.2
57.03455	1.0
58.88330	0.9
59.01387	70.9
60.01691	1.2
68.14672	0.8
69.41674	1.4
69.42063	2.5
71.01392	27.5
72.99318	1.8
73.02959	3.0
79.95737	2.3
83.01402	4.0
83.05028	0.9
85.02962	9.1
85.11829	0.8
87.00906	2.0
89.02454	19.3
93.03462	0.9
95.01392	4.1
96.96021	26.7
98.22624	1.6
99.00901	1.4
101.02461	20.3
111.04547	1.4
113.02469	7.0
115.00399	1.5
119.03513	7.7
119.05023	2.7
123.00896	2.9
124.01693	1.9
125.02477	6.9
129.05589	1.1
133.02972	1.3
135.04556	1.5
139.00461	1.0
143.03644	1.1
145.02968	2.0
151.00352	2.1
152.98682	0.9
161.02463	2.1
161.04643	1.2
163.03975	2.0
168.00650	1.2
169.01422	8.1
179.07132	1.6
211.02451	1.2
237.15022	1.3
241.00249	2.2
247.02620	1.4
253.89859	0.9
283.09741	1.9
291.01706	1.0
292.07016	2.7
301.00079	1.9
318.30066	1.1
327.08798	7.3
328.09106	0.9
363.07593	40.9
364.08026	3.3
368.07593	3.1
425.21570	1.4
443.12491	4.5
443.19275	100.0
444.19702	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1927
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01862	0.9
57.03454	0.4
59.01385	8.1
67.01891	1.0
68.99817	0.3
69.03459	0.9
69.88699	0.6
71.01379	2.3
71.61359	0.3
73.02940	1.3
78.01110	0.8
78.09821	0.3
79.01902	1.5
82.00628	0.7
83.01404	1.9
85.02966	1.8
86.00102	0.6
92.48337	0.3
95.01397	2.3
97.02956	1.0
98.21931	0.5
101.02454	2.8
107.01399	3.5
109.02928	0.3
110.00096	0.6
111.00898	2.3
113.02477	1.1
123.00900	20.3
124.01683	13.2
124.02621	0.5
125.02457	16.4
126.02787	0.5
127.00379	0.9
136.98830	1.4
137.02434	0.4
139.00398	3.6
139.88765	0.3
140.01180	2.9
141.01965	4.3
146.93683	0.3
151.00388	13.7
151.04010	0.4
152.00737	0.5
153.01921	0.7
168.00670	4.8
169.01442	19.1
170.01791	0.9
178.16722	0.3
179.03474	0.4
181.05046	0.4
186.28508	0.3
191.03589	0.4
273.28873	0.3
295.57025	0.3
313.05823	0.7
443.19250	100.0
444.19586	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	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.18123	1.0
65.83993	1.1
71.01386	48.4
72.99345	1.1
73.02957	3.4
79.05542	3.0
81.03468	1.8
83.01386	2.0
85.02967	7.2
87.00900	2.1
89.02453	57.9
92.65579	1.2
93.07073	1.1
95.01391	3.6
95.05034	3.3
96.96021	1.2
98.21867	4.1
99.04536	10.0
101.02451	25.0
107.05042	4.5
113.02460	20.2
113.06096	3.4
119.03518	20.1
131.03539	2.0
139.07664	4.7
143.03508	3.9
149.04549	1.5
157.06644	1.1
159.11812	2.4
161.04539	2.2
172.08917	1.1
179.05627	5.3
187.11301	34.3
188.11621	2.1
206.19504	1.0
219.13913	12.4
231.10268	2.2
263.12897	36.6
263.15576	2.3
264.13242	2.4
347.47800	0.9
398.61942	1.0
413.92429	1.1
443.18716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
61.61398	1.1
61.98833	4.9
65.41803	1.3
69.03450	1.8
69.41748	3.1
69.42138	2.2
71.01397	1.3
73.02947	1.5
77.98123	1.2
79.01891	1.3
83.01392	1.8
85.02930	1.8
89.02480	1.3
95.01395	2.7
98.22570	1.7
101.02438	2.7
107.01429	2.7
111.00910	2.4
123.00902	18.9
124.01685	10.8
125.02470	13.3
127.00352	1.3
139.00404	3.4
140.01195	3.3
141.02003	2.2
151.00407	11.4
163.65439	1.1
168.00653	3.2
169.01437	16.9
196.79456	1.1
228.98000	1.0
247.22597	1.2
261.57092	1.3
262.66306	1.0
270.55563	1.1
311.31375	1.2
443.19266	100.0
444.19528	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	443.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01122	1.2
59.01387	15.7
61.98832	1.4
71.01379	6.3
73.02954	4.7
85.02949	2.8
87.04515	3.2
87.05074	0.9
89.02453	4.0
95.05033	1.1
101.02443	3.6
109.79504	1.0
113.02468	1.9
125.02498	1.4
135.08153	4.6
137.09720	15.6
139.11302	1.5
155.10797	81.8
156.11148	3.5
169.12354	1.7
181.08734	6.7
183.72844	0.9
199.09772	25.3
241.10776	4.6
443.22870	100.0
444.23221	8.4
450.49597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01122	1.2
59.01387	15.7
61.98832	1.4
71.01379	6.3
73.02954	4.7
85.02949	2.8
87.04515	3.2
87.05074	0.9
89.02453	4.0
95.05033	1.1
101.02443	3.6
109.79504	1.0
113.02468	1.9
125.02498	1.4
135.08153	4.6
137.09720	15.6
139.11302	1.5
155.10797	81.8
156.11148	3.5
169.12354	1.7
181.08734	6.7
183.72844	0.9
199.09772	25.3
241.10776	4.6
443.22870	100.0
444.23221	8.4
450.49597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99088	1.9
90.26638	0.9
159.08444	6.2
161.06381	1.6
217.07184	2.0
218.69102	1.0
241.34062	0.9
261.04373	1.7
275.05902	1.7
277.07510	4.2
278.07755	0.9
343.12402	1.7
345.13837	2.8
357.14001	4.5
359.15378	100.0
360.15512	12.3
425.19980	1.8
427.21625	47.6
428.21805	7.9
443.24991	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22752	0.5
56.98478	0.5
59.01386	100.0
60.01733	0.7
71.01392	3.4
73.02952	1.4
79.20505	0.6
81.37056	0.5
83.01400	1.2
85.02951	1.6
91.71458	0.6
95.01434	1.0
98.22607	1.9
99.00880	0.7
101.02438	1.6
105.23568	0.6
107.01405	1.7
113.02473	1.7
123.00922	4.1
124.01701	2.4
125.02512	4.1
139.00459	1.0
141.01961	0.7
151.00366	3.1
161.04668	1.0
168.00650	1.4
169.01440	5.3
259.47113	0.6
401.25656	0.9
411.83075	0.6
443.19174	18.0
444.19867	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	445.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.6
67.01893	0.6
69.51763	2.7
71.01374	1.3
85.97874	0.6
89.02450	1.6
91.01916	3.8
93.03466	0.7
95.01392	1.6
95.04992	1.4
98.21909	0.9
101.02434	0.8
101.23181	0.6
107.01382	2.0
117.03484	0.8
119.01406	5.4
123.00907	3.6
124.01630	2.6
125.02458	6.5
137.02422	1.2
139.00351	0.8
147.00903	15.3
147.04503	1.3
151.00386	0.8
160.01685	0.8
163.00395	1.3
164.01178	1.5
165.01956	1.2
165.05534	2.5
166.99873	0.7
168.00662	0.8
169.01445	7.0
170.01849	0.9
173.02409	1.5
174.03171	1.6
175.00365	7.3
176.01199	3.4
177.01945	1.5
188.01186	0.8
189.01967	1.3
190.02724	1.4
197.08110	1.3
201.01970	1.5
202.02736	6.1
202.99878	37.6
204.00317	2.4
208.00102	1.6
209.00882	1.7
209.11816	1.1
211.02455	0.8
217.01450	0.8
227.03458	1.4
229.01402	2.0
230.02213	3.3
232.00020	1.1
240.04269	5.9
241.05022	1.1
245.00945	3.6
246.98853	100.0
247.99243	4.3
253.08818	0.9
259.99673	2.2
265.54086	0.7
267.06662	0.7
268.07440	1.3
269.00992	3.3
269.08197	11.6
270.08670	0.8
274.01160	1.2
275.01938	1.0
281.01453	0.7
282.01740	0.8
282.05280	0.8
293.06674	1.6
293.57141	0.8
297.00543	0.8
297.07669	7.8
298.01141	1.5
298.08466	1.6
300.99829	2.2
302.00192	0.8
311.05640	2.2
313.07214	3.3
325.07214	1.0
329.10355	1.2
339.05042	1.0
341.06711	6.4
357.09866	1.0
368.06506	1.5
368.11127	1.2
368.56589	4.6
368.60690	0.9
369.06610	4.7
369.11865	3.2
369.57419	0.8
373.09436	2.3
401.08789	13.8
416.04013	0.7
445.07791	28.3
445.13177	1.1
446.08044	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	445.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92663	0.3
55.45555	0.4
59.01361	0.4
61.42689	0.4
63.95828	0.4
67.18621	0.3
69.07661	1.2
69.08088	1.5
75.49622	0.3
84.93018	0.4
89.22435	0.4
96.51241	0.4
98.21820	0.8
141.07130	0.4
147.39841	0.4
154.81702	0.4
159.26955	0.4
169.10306	0.6
176.01186	0.4
185.09782	0.4
188.01151	0.7
195.04468	0.4
195.08197	0.5
196.05298	1.6
197.09695	1.1
198.03136	0.4
209.11861	1.0
212.04750	0.5
214.02745	0.9
215.10793	0.4
216.00620	0.7
216.37294	0.4
224.04828	0.7
225.09352	1.9
226.02785	0.7
239.03656	0.4
240.04282	22.5
241.04584	1.3
241.08678	1.0
242.02171	0.7
244.00330	0.5
247.16855	0.4
253.01443	0.5
253.08687	2.4
254.02203	0.7
255.02899	0.6
259.99686	2.8
267.02969	0.8
268.03769	0.9
268.07196	0.7
269.00955	8.6
269.08200	47.0
270.01480	1.7
270.08447	3.5
281.01123	0.4
282.01706	0.7
283.99585	1.4
284.09125	0.4
295.05997	0.4
297.00443	1.3
297.07672	11.9
298.01178	4.9
298.08099	1.0
303.98602	0.5
311.05530	3.4
313.07153	3.9
333.94489	0.5
341.02841	0.7
341.06662	7.7
342.06952	0.7
445.07770	100.0
446.08148	10.1
454.04385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77764	1.1
59.01385	6.0
69.03439	1.4
70.21956	1.1
71.01392	7.7
73.02954	11.5
76.04084	1.1
83.01425	1.1
85.02959	4.4
87.04475	1.0
89.02448	2.1
93.04552	1.0
95.01396	2.8
101.02443	5.9
105.95346	0.9
107.01386	8.1
113.02451	4.6
123.00920	15.1
123.04470	2.1
124.01723	6.6
125.02465	32.7
126.02759	1.5
131.03502	6.8
135.89151	1.4
139.00380	3.0
141.01936	2.4
145.02846	1.0
151.00400	10.7
161.02484	1.2
161.04584	1.5
168.00650	3.1
169.01445	49.0
170.01791	2.7
196.05150	2.7
211.02551	5.6
253.03493	1.5
268.45880	1.1
271.04608	4.2
300.99762	1.4
313.05643	9.9
387.09406	4.4
399.09500	2.3
417.10474	1.7
445.09854	100.0
445.63095	1.1
446.10168	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	445.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	57.0
59.85069	1.7
64.30215	1.7
69.32767	10.1
71.51237	2.0
75.00862	4.0
87.92468	1.5
98.22617	3.4
103.00381	100.0
116.05150	1.6
119.39803	1.5
132.16432	1.7
136.09422	1.7
139.36827	1.8
143.74081	2.0
179.97992	1.8
225.66214	1.9
245.66071	1.8
261.67041	1.9
266.17026	1.8
285.09708	1.8
316.41162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71980	0.4
54.26157	0.4
55.01868	0.7
57.01368	0.4
59.01385	10.9
67.01874	1.0
68.99817	0.5
69.03465	0.5
70.71636	0.9
71.01385	8.9
72.20664	0.4
73.02944	2.9
74.96218	0.4
79.01902	1.0
83.01385	1.4
85.02956	3.3
87.00883	0.6
89.02445	3.3
95.01392	3.1
97.02990	0.7
99.00891	0.5
99.04517	0.5
101.02444	5.2
107.01405	5.0
109.03020	0.6
110.24664	0.4
111.00890	1.9
113.02458	3.5
113.54523	0.4
117.05594	1.6
119.03510	1.3
123.00903	22.0
124.01682	13.3
124.02379	0.3
125.02464	19.6
127.00387	1.0
136.98816	1.9
137.09741	1.2
138.03139	0.4
138.36510	0.4
139.00404	4.3
139.04018	0.9
140.01164	2.9
141.01982	3.6
151.00388	12.3
151.03979	0.5
153.01939	1.0
161.04613	0.7
166.99905	0.5
168.00659	6.1
169.01436	22.6
170.01761	0.8
179.03426	0.6
179.52264	0.4
181.05215	0.5
182.02284	0.6
183.02966	2.9
195.04900	0.6
205.12416	1.4
211.02481	2.9
223.02519	0.7
225.04060	3.7
270.98868	0.6
271.04608	3.8
285.00372	0.8
285.06201	3.5
298.98245	0.5
299.99155	0.8
312.99908	1.5
313.05698	1.4
314.00760	1.7
355.01059	0.6
385.19128	0.7
413.10919	9.2
414.11292	0.6
445.04831	5.3
445.13513	100.0
446.13806	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	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
59.01387	7.4
60.16521	0.6
62.13902	0.6
62.31101	0.6
62.44620	0.6
63.56810	0.5
67.01877	1.2
68.25481	0.6
69.03432	1.0
69.26325	1.8
69.26729	2.1
71.01024	0.7
71.01387	7.3
73.02941	1.2
77.27598	0.6
78.01102	1.1
79.01904	1.4
82.00591	0.9
83.01387	1.3
83.51350	0.6
85.02955	2.7
86.00080	0.6
89.02435	1.9
95.01355	1.4
97.02936	1.0
101.02444	2.6
107.01385	4.6
111.00884	0.8
113.02450	2.0
117.05586	1.5
119.03528	1.1
123.00896	18.4
124.00857	1.0
124.01686	15.3
124.54551	0.6
125.02467	16.1
136.98807	1.4
139.00392	2.6
139.04024	0.9
140.01178	2.6
141.01993	3.1
147.04588	0.7
151.00388	11.3
168.00644	4.4
169.00011	0.9
169.01445	17.4
177.23024	0.6
183.03009	3.8
211.02507	3.1
225.04027	3.0
249.85022	0.6
271.04648	5.5
285.06161	2.0
296.80795	0.6
302.33014	0.6
313.05438	0.8
413.10880	8.7
445.13538	100.0
446.13864	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	445.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	4.6
56.72617	1.2
57.03432	2.9
59.01387	25.8
61.98794	2.0
68.67807	1.6
71.01390	57.2
71.40331	1.4
72.99278	2.2
73.02956	23.8
79.01840	1.6
83.01350	5.4
83.89461	1.3
85.02964	26.8
87.00872	3.5
89.02451	10.2
95.01376	7.0
96.95981	3.7
97.02912	3.8
99.00822	4.7
101.02453	28.1
103.03923	2.5
107.01382	7.9
107.05042	46.6
111.00826	1.4
113.02457	25.6
123.00902	17.2
124.01688	7.3
125.02467	45.8
131.03497	8.6
135.04448	2.9
137.02373	2.0
139.00330	3.0
140.31836	1.3
141.01802	3.7
143.03458	3.5
145.01357	3.3
151.00372	12.3
152.89214	1.5
157.18729	1.4
159.02910	6.0
161.04585	61.9
163.02477	2.5
163.03864	1.6
166.99751	2.1
168.00552	2.5
169.01442	55.2
170.01662	1.8
178.02618	2.1
179.05447	1.6
191.05530	2.9
208.23320	1.8
211.02554	7.2
229.01292	2.2
231.02676	1.8
234.99030	2.4
253.03236	1.8
269.10403	7.0
270.76224	1.4
271.04565	10.5
300.99826	3.6
313.05728	9.4
329.55896	1.4
331.05920	1.7
387.09116	4.2
399.09012	1.6
401.13858	5.3
402.14178	1.6
415.41400	1.6
445.09348	100.0
446.09311	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	445.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58458	16.7
58.70367	16.0
59.01383	100.0
71.01387	31.3
71.43291	23.2
73.02954	26.1
73.57016	19.0
85.02942	19.0
89.02456	35.6
101.02457	37.0
116.92874	21.9
150.56219	19.3
155.09744	17.6
225.11365	27.7
254.01297	17.0
445.16290	36.5
445.29422	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49516	0.5
55.18491	0.5
58.00568	0.5
59.01384	100.0
60.01691	1.0
69.26125	1.0
69.26535	1.7
71.01388	10.2
73.02951	2.6
79.69061	0.5
83.01385	0.6
85.02945	2.2
87.00887	0.6
89.02451	10.1
91.65212	0.4
95.01418	0.6
98.93761	0.5
99.00888	0.5
100.56770	0.4
101.02444	5.8
102.26925	0.5
111.00860	0.8
113.02465	3.9
119.03518	5.5
121.02975	4.8
123.00893	1.6
124.01686	1.1
125.02504	1.0
131.03569	0.8
140.01279	0.6
143.03578	0.8
151.00510	0.6
161.04596	3.2
168.00671	0.7
169.01485	1.9
179.05650	1.7
209.11891	4.7
239.03354	0.5
253.09422	1.2
322.55731	0.6
385.18719	0.8
445.21350	1.1
446.13007	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97019	1.8
59.01383	78.4
60.01693	1.9
69.41637	6.4
71.01385	33.8
72.99316	2.1
73.02949	5.7
83.01414	2.2
85.02956	9.8
89.02454	27.8
95.01405	2.8
97.74905	1.7
99.00903	2.4
99.04458	1.5
101.02466	13.9
102.30791	1.7
113.02457	14.6
119.03497	6.2
121.06612	2.4
123.00878	5.0
124.01680	6.8
125.02475	7.8
130.41939	1.7
131.03491	5.8
137.09727	2.0
143.03470	2.9
151.00394	4.6
159.03120	2.1
161.04567	11.6
161.09723	1.9
163.11319	21.6
163.23293	1.6
167.35307	1.4
169.01433	9.3
175.11295	9.8
179.05721	2.4
187.11327	8.2
204.18568	1.7
205.12346	100.0
206.12679	4.8
211.02432	4.3
221.06674	15.0
222.07245	1.8
234.05873	1.9
271.04596	2.8
440.25531	1.8
445.13379	9.9
445.17923	5.6
446.13422	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	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87003	0.5
59.01385	100.0
69.33010	1.1
69.33418	2.1
71.01390	8.3
73.02979	0.8
81.55538	0.5
85.02988	2.2
87.00901	1.4
89.02451	9.9
94.96420	0.5
101.02445	6.1
110.42508	0.6
111.39201	0.6
113.02438	3.6
119.03512	5.3
129.01970	0.7
143.03534	0.8
144.69902	0.6
147.16008	0.6
149.04701	0.6
149.15196	0.6
159.03024	0.7
161.04611	2.2
176.08511	0.7
179.05663	2.3
187.11331	2.8
204.11597	0.6
205.12413	3.9
205.14008	0.6
209.11852	8.7
222.56317	0.6
233.11899	1.4
253.09363	0.8
259.13492	0.9
277.14661	0.8
385.18973	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	445.2084
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
57.03446	0.8
58.00583	1.2
59.01384	72.2
69.03455	1.4
71.01386	46.6
72.01762	0.6
72.99312	1.2
73.02953	21.3
85.02962	4.2
89.02451	100.0
90.02794	1.9
97.02961	1.0
99.00887	30.9
101.02453	33.1
102.02795	0.7
113.02448	6.9
119.03506	3.1
125.02461	5.4
131.03517	18.5
132.03877	0.7
136.06429	0.8
143.03537	1.0
149.04565	55.0
150.04791	1.3
161.04596	1.5
169.01343	0.8
191.05609	15.3
209.11874	2.4
221.06731	1.3
247.16966	0.8
251.07751	2.9
269.04623	1.5
345.11353	0.6
445.20599	0.8
445.29520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Dendromoniliside D
Peak:m/z	Relative Intensity
51.08473	1.4
55.01884	1.9
57.03459	2.1
59.01381	33.0
65.28662	1.6
66.45061	1.7
71.01384	14.9
73.02952	69.7
77.77070	1.7
83.05026	2.7
83.48671	1.5
85.02975	2.4
89.02464	14.6
93.03451	8.5
99.04499	3.2
101.02449	8.3
103.01376	1.6
105.69454	1.6
109.06618	3.4
113.02485	4.3
119.03532	3.8
137.02470	12.7
143.03496	2.0
149.04591	1.9
161.04617	2.6
165.12839	8.0
203.14386	4.1
209.11862	21.8
210.12283	2.4
221.15451	14.0
230.02148	1.6
239.16541	5.8
265.14426	12.8
283.15536	100.0
284.15817	6.8
357.09808	3.8
445.20401	15.0
445.29858	2.6
446.21735	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	445.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
62.97919	0.4
69.91762	1.0
78.95910	7.0
83.52235	0.4
94.99065	0.4
110.98531	5.0
152.99632	0.7
167.01129	2.8
171.42503	0.4
185.02193	3.8
190.89873	0.4
233.22620	0.5
259.20657	0.6
275.20236	0.7
277.21744	100.0
278.22076	9.3
387.86835	0.5
445.23627	6.4
446.24084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.2
59.01387	3.0
61.98832	0.7
65.81006	0.2
67.01874	0.2
67.36816	0.2
69.03465	0.2
71.01383	1.6
72.99316	0.2
73.02938	0.3
79.01906	0.5
83.01391	0.4
85.02946	0.8
86.80509	0.2
87.00874	0.4
89.02450	0.6
95.01392	0.6
97.02980	0.4
101.02454	0.8
107.01404	1.4
110.00066	0.2
111.00919	1.1
113.02458	0.5
123.00896	4.8
124.01672	4.3
125.02469	6.1
127.00389	0.2
129.01978	0.2
132.15025	0.2
136.98817	0.6
139.00385	1.6
140.01186	1.5
141.01903	0.8
144.02246	0.3
145.02939	0.2
148.01660	0.2
151.00375	3.0
151.04095	0.2
160.01697	0.6
161.04602	0.4
163.04039	0.2
166.99907	0.3
168.00656	3.2
169.01437	9.6
170.01797	0.3
172.01695	1.1
173.02475	0.5
176.01192	0.3
177.04085	0.8
179.03601	0.2
179.10780	0.6
180.11159	0.4
185.02489	0.6
187.00322	0.2
188.01190	0.8
200.01204	2.4
201.01956	0.7
205.12318	0.5
206.12689	0.4
211.02527	1.8
216.00652	3.4
226.99915	0.4
228.00542	0.9
229.01396	1.1
242.99290	1.4
244.00127	2.8
245.00903	0.3
254.99423	0.4
257.00995	0.4
270.98798	0.8
271.04642	1.3
271.99628	1.0
273.00409	0.2
282.99042	0.5
283.99759	0.8
297.06149	0.6
298.98355	1.3
299.99130	100.0
300.99911	32.3
313.05746	0.5
329.05225	0.4
387.20328	0.5
399.12964	0.9
446.13062	31.9
447.05719	55.1
447.12744	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	446.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11506	2.6
55.60610	2.6
57.03438	4.1
59.01382	17.0
61.98817	5.1
69.13800	5.2
69.14207	11.5
71.01393	6.1
71.70401	2.4
82.16235	2.5
82.24362	2.5
83.32395	2.6
85.02950	4.0
87.00883	41.4
89.02431	3.0
97.06609	6.7
101.02411	4.4
125.02490	5.1
130.99843	4.9
145.06711	3.4
158.03740	6.1
159.04596	3.9
169.01498	4.1
172.05211	3.4
173.06105	28.6
174.03136	3.2
174.06915	5.5
175.07689	4.3
187.07677	7.6
188.04811	6.4
189.09204	6.8
198.03279	4.4
199.07715	10.1
201.09457	2.7
203.07162	6.2
215.07181	10.2
217.08682	13.6
218.09480	13.5
225.09157	3.0
227.07098	13.3
243.06624	9.4
243.10204	4.2
244.00209	3.4
271.13385	3.7
293.56796	3.9
297.14801	3.3
299.99155	44.5
300.99835	15.2
313.14493	6.7
325.14499	11.9
343.15817	3.2
350.10175	3.6
369.13492	11.5
369.61838	3.1
387.14319	4.5
446.08081	6.5
447.05893	24.2
447.16605	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	447.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21716	0.3
59.01373	1.1
61.98832	0.5
69.30593	2.0
93.00804	0.4
102.42363	0.3
132.02309	0.5
133.06548	0.3
144.02199	1.0
155.61685	0.4
160.01697	1.2
172.01656	1.3
188.01212	0.5
189.87674	0.4
196.49440	0.3
200.01166	2.0
206.12692	0.5
216.00604	3.7
227.00018	0.7
228.00601	1.0
229.01427	0.7
242.99396	1.5
244.00114	3.0
245.00842	0.4
257.00925	0.7
268.77026	0.4
270.98840	0.8
271.99670	0.9
282.98929	0.5
283.99667	0.7
298.98364	1.4
299.99142	100.0
300.99838	31.8
302.00296	1.7
447.05728	51.8
448.06128	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	447.0572
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
50.82505	0.4
53.82522	0.3
59.01383	2.6
69.55211	1.1
69.55611	0.9
75.59847	0.4
96.13871	0.4
103.07257	0.4
120.27860	0.5
144.02234	0.7
148.47389	0.4
153.09108	0.4
160.01689	0.7
161.04561	0.6
172.01698	1.3
188.01208	1.0
197.95668	0.4
200.01193	2.2
201.01900	0.4
213.60217	0.5
214.99860	0.6
216.00632	3.2
225.14961	1.1
226.99864	0.4
228.00562	1.0
229.01390	1.0
237.65160	0.5
242.99371	1.8
244.00153	3.3
246.09177	0.4
270.98917	0.6
271.99661	0.9
283.99738	0.5
298.98355	1.3
299.99130	100.0
300.99829	30.0
302.00262	2.3
401.34521	0.4
406.68561	0.4
415.08908	0.5
447.05713	56.8
448.06058	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	447.0575
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
59.01382	7.1
63.95969	0.5
64.34087	0.5
70.35822	0.5
71.01369	1.0
73.02952	2.4
75.54536	0.5
76.45401	0.5
85.02950	1.1
89.02441	0.9
98.21791	1.2
101.02496	1.1
119.02293	0.6
144.02133	0.7
160.01697	0.9
161.14635	0.5
172.01645	1.2
186.14160	0.5
200.01184	1.4
216.00681	2.4
229.01468	0.7
242.99292	1.5
244.00122	2.3
270.98874	8.7
271.99539	0.7
282.98767	0.7
285.04160	0.7
298.98343	10.2
299.99136	100.0
300.99814	21.3
302.00174	1.1
314.00775	5.7
315.01498	37.8
316.01886	3.4
447.05722	61.4
447.22241	4.6
448.05994	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	447.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.5
59.01384	46.6
60.01723	1.4
61.01812	0.8
61.98840	1.4
69.03456	7.3
69.45439	2.0
71.01385	10.8
71.05043	1.3
73.02948	6.0
83.01392	1.1
85.02957	3.7
87.00866	0.9
89.02459	5.5
97.02924	0.6
98.21840	1.1
99.00914	1.3
101.02465	7.8
109.02982	0.6
111.00834	0.7
111.08179	0.9
113.02466	4.4
118.22151	0.6
119.03532	2.0
119.07157	0.8
123.00893	0.9
123.08206	0.6
124.01669	2.5
125.02457	1.7
130.27391	0.6
135.04503	0.5
139.00369	0.7
139.11308	13.6
139.12321	1.1
159.02991	0.6
160.01659	0.7
161.02409	0.8
161.04555	7.2
168.00655	3.5
169.01480	2.4
172.01706	1.1
179.05612	0.7
183.10278	68.2
184.10582	1.0
185.02551	1.0
188.01186	0.8
200.01154	2.1
209.11794	0.9
210.12164	0.9
216.00623	2.7
217.01451	0.7
226.99948	0.6
229.01453	1.4
242.99402	1.4
244.00140	2.4
245.00748	0.7
255.02969	1.0
257.00873	0.8
270.98865	5.3
271.99457	0.8
275.01834	0.8
281.12460	9.9
283.99991	0.9
284.03311	2.7
285.00986	0.6
285.04019	3.5
298.98361	7.7
299.99130	100.0
300.99811	26.9
314.00616	2.6
315.01483	16.0
316.01871	1.2
329.05072	1.1
387.20197	2.4
390.52710	1.6
439.06064	0.8
446.12976	0.8
447.05673	57.9
447.22531	1.9
448.06082	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	447.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.0
59.76895	2.8
65.79642	3.0
71.01386	5.7
81.31132	2.9
85.02955	9.0
98.22716	7.6
103.00387	13.1
105.01942	5.7
105.46326	3.3
107.01417	4.0
108.02180	27.7
109.02962	11.4
113.02487	3.2
123.00854	3.8
125.02465	13.8
138.76056	3.8
139.19044	3.0
152.01141	40.1
169.01425	20.3
191.05626	100.0
211.02486	9.3
234.71080	3.3
271.04666	14.5
312.52930	4.2
343.06689	25.2
373.07553	5.3
447.11319	52.1
448.11865	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01382	10.1
61.96179	0.7
65.00318	2.0
71.01386	6.8
71.42493	0.8
72.99265	0.9
73.02932	2.1
75.00872	2.4
83.01394	1.0
85.02958	11.2
86.91946	0.8
87.00902	2.0
89.02418	1.6
95.01373	6.4
99.00871	4.8
103.00353	2.3
108.01270	0.8
108.02155	1.8
111.00896	4.2
113.02464	21.3
113.03248	1.2
115.00326	1.2
117.01934	1.7
123.00929	1.6
124.01675	8.8
125.02469	1.2
136.01633	2.2
136.98813	4.2
139.00385	10.2
151.00414	1.2
152.01161	7.9
155.24524	0.9
157.06586	1.1
166.99844	3.9
167.05751	0.8
167.54453	0.9
169.01401	1.0
169.06602	0.9
171.08133	1.2
173.06073	3.1
173.56979	0.9
174.54230	0.8
175.02525	4.6
185.06032	1.0
199.07693	1.3
200.01202	2.4
201.05565	2.2
204.84309	0.9
211.13374	6.2
216.00592	3.6
225.05595	4.5
225.97835	0.9
227.07062	1.8
242.99461	1.1
243.06635	33.0
244.00179	2.9
244.07021	2.8
245.00711	1.2
253.05055	6.1
253.09138	1.0
271.06137	100.0
272.06485	8.6
280.13284	0.9
285.04141	1.3
298.98328	1.5
299.99136	94.7
300.99817	32.9
302.00238	1.9
373.06613	0.8
388.07669	1.2
447.05649	49.2
447.12036	2.4
448.05942	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	447.0937
Annotation	Homoorientin
Peak:m/z	Relative Intensity
52.86551	0.7
59.01287	8.6
59.01620	1.6
61.98785	1.2
62.01652	0.7
69.39485	3.5
71.01289	2.8
71.01661	1.3
77.03902	1.2
79.01817	1.2
83.01327	0.8
87.00774	0.7
89.02332	2.7
89.02843	1.1
92.77724	0.7
97.02870	0.8
101.02335	1.2
105.03397	1.0
107.01315	1.1
109.02824	3.5
113.02364	0.8
119.48843	0.8
121.02857	1.5
123.00773	1.0
125.02310	2.7
126.47520	0.9
126.90279	2.0
133.02962	21.2
134.03271	0.6
135.00818	0.7
135.04388	2.9
137.02377	0.9
145.02879	0.9
147.04498	1.0
149.02420	1.7
151.00279	1.1
154.01393	1.1
161.02316	2.7
161.04358	0.9
163.00386	4.2
163.03987	3.4
165.01981	3.7
165.03062	0.7
169.01303	1.1
175.03995	6.9
177.01837	2.7
181.04900	1.6
181.06410	0.8
187.03873	0.8
193.01314	0.9
198.03055	0.9
198.70914	0.7
199.03915	3.1
201.01828	2.3
203.03403	1.5
208.62053	0.7
209.05954	1.2
211.04100	1.5
211.09677	1.1
212.04727	1.5
213.05431	1.9
217.00217	0.8
225.05486	2.3
227.03391	2.1
229.05031	0.9
231.06581	1.0
240.04231	1.1
241.04956	2.2
244.00200	0.9
253.05017	3.1
255.03009	1.8
255.06639	1.6
269.04474	2.3
270.05203	1.1
271.05881	0.9
273.00543	0.9
281.04593	0.9
284.03287	8.2
285.04059	17.8
286.04248	1.1
297.04053	27.1
298.04807	20.1
299.05606	35.0
299.09036	1.7
299.99152	13.2
300.06107	3.4
300.99799	5.6
309.04254	1.3
311.05603	8.5
324.02734	1.5
325.03488	1.9
327.05115	100.0
328.05435	9.4
330.03879	0.9
339.05106	12.0
340.05392	1.1
341.06613	2.1
357.06171	58.1
358.06421	5.0
360.09756	0.8
369.06244	3.1
371.07773	0.8
377.64008	0.8
429.08255	8.1
430.08948	1.2
447.09549	53.7
448.10086	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
59.01382	9.0
61.66315	0.7
69.97923	2.1
85.02962	1.3
87.17613	0.9
89.02456	3.0
92.15647	0.9
93.03463	0.9
101.02477	1.3
104.02680	0.8
105.01929	1.2
107.01398	1.7
108.02198	2.7
109.02946	6.2
113.02499	1.5
119.01385	1.8
120.02128	1.2
121.03016	1.1
123.00883	2.6
124.01689	2.4
125.02458	21.5
126.57127	0.8
133.05055	1.1
137.02464	0.9
145.02960	1.2
147.00905	13.3
147.04524	2.9
148.01628	3.6
149.02440	2.9
151.00401	3.1
151.03882	0.8
157.02966	0.9
159.04337	1.0
163.00488	1.2
163.03969	1.5
169.01460	7.3
170.03748	1.4
171.04530	2.3
173.02464	1.7
174.03214	1.0
175.00340	1.0
175.04002	2.0
176.01166	1.3
177.01950	1.6
179.03456	1.0
183.04527	3.5
184.05289	1.2
185.06099	2.0
187.03981	1.3
188.04784	2.5
189.05605	1.6
195.04539	1.0
196.05350	1.3
198.03281	1.0
199.03978	3.7
200.01115	1.6
200.04752	1.6
201.01920	2.2
211.02345	1.2
211.04059	8.5
212.04799	4.8
213.01859	1.4
213.05640	1.9
214.02673	1.2
215.03447	1.6
217.01451	0.8
217.05067	2.3
223.04060	1.1
224.04790	1.0
227.03548	6.5
228.04236	2.4
229.04932	2.0
239.03539	9.2
240.04317	6.6
241.05151	2.4
242.02092	1.9
243.02953	1.1
252.86212	0.8
255.03026	17.5
256.03802	9.9
257.04572	5.6
271.04565	1.7
275.01984	1.9
283.02435	10.4
284.03275	100.0
285.04031	76.0
285.07373	1.9
286.04510	5.5
299.05490	3.7
299.99109	2.0
300.99905	5.0
313.05673	1.1
321.06332	1.1
327.05084	1.5
426.06787	0.8
447.09412	26.3
447.15131	8.5
448.09863	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	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86551	0.7
59.01287	8.6
59.01620	1.6
61.98785	1.2
62.01652	0.7
69.39485	3.5
71.01289	2.8
71.01661	1.3
77.03902	1.2
79.01817	1.2
83.01327	0.8
87.00774	0.7
89.02332	2.7
89.02843	1.1
92.77724	0.7
97.02870	0.8
101.02335	1.2
105.03397	1.0
107.01315	1.1
109.02824	3.5
113.02364	0.8
119.48843	0.8
121.02857	1.5
123.00773	1.0
125.02310	2.7
126.47520	0.9
126.90279	2.0
133.02962	21.2
134.03271	0.6
135.00818	0.7
135.04388	2.9
137.02377	0.9
145.02879	0.9
147.04498	1.0
149.02420	1.7
151.00279	1.1
154.01393	1.1
161.02316	2.7
161.04358	0.9
163.00386	4.2
163.03987	3.4
165.01981	3.7
165.03062	0.7
169.01303	1.1
175.03995	6.9
177.01837	2.7
181.04900	1.6
181.06410	0.8
187.03873	0.8
193.01314	0.9
198.03055	0.9
198.70914	0.7
199.03915	3.1
201.01828	2.3
203.03403	1.5
208.62053	0.7
209.05954	1.2
211.04100	1.5
211.09677	1.1
212.04727	1.5
213.05431	1.9
217.00217	0.8
225.05486	2.3
227.03391	2.1
229.05031	0.9
231.06581	1.0
240.04231	1.1
241.04956	2.2
244.00200	0.9
253.05017	3.1
255.03009	1.8
255.06639	1.6
269.04474	2.3
270.05203	1.1
271.05881	0.9
273.00543	0.9
281.04593	0.9
284.03287	8.2
285.04059	17.8
286.04248	1.1
297.04053	27.1
298.04807	20.1
299.05606	35.0
299.09036	1.7
299.99152	13.2
300.06107	3.4
300.99799	5.6
309.04254	1.3
311.05603	8.5
324.02734	1.5
325.03488	1.9
327.05115	100.0
328.05435	9.4
330.03879	0.9
339.05106	12.0
340.05392	1.1
341.06613	2.1
357.06171	58.1
358.06421	5.0
360.09756	0.8
369.06244	3.1
371.07773	0.8
377.64008	0.8
429.08255	8.1
430.08948	1.2
447.09549	53.7
448.10086	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	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10540	2.0
55.05272	1.8
55.10085	1.7
57.03436	5.3
57.09862	1.8
58.00598	3.0
59.01385	89.9
61.98829	5.4
68.99826	12.2
69.03435	2.7
69.74766	1.7
70.61266	3.8
71.01389	48.5
73.02954	19.1
75.64504	1.7
83.01393	4.9
85.02954	17.6
87.00883	23.4
89.01940	3.3
89.02456	45.2
95.01402	4.0
95.05036	1.9
97.02943	3.8
97.06577	3.1
99.00890	11.4
101.02449	35.0
113.02473	17.6
117.03445	2.0
119.03496	12.8
121.02972	3.1
123.00896	2.3
125.02453	7.2
129.03413	2.2
130.99860	2.4
131.03531	9.2
132.02170	2.9
133.02953	4.7
135.04451	2.4
137.09669	2.4
143.05009	2.9
145.02957	7.0
147.04547	3.6
149.02458	3.5
149.04535	13.1
155.10805	3.7
157.02940	4.7
158.03719	7.2
159.03029	2.0
159.04518	5.2
160.01682	4.4
161.02428	8.0
161.04550	14.5
163.00365	2.8
163.04039	3.6
165.12437	2.1
169.01518	3.6
169.02963	4.5
170.03702	5.7
171.04439	3.5
172.01649	6.3
172.05215	2.6
173.02425	6.4
173.06088	6.7
174.03241	4.6
174.06627	1.9
175.00418	2.9
175.04033	2.6
175.07616	2.8
176.01154	5.8
177.01926	11.4
183.13908	6.3
185.02438	14.0
186.03189	5.0
187.03993	6.6
187.07834	2.0
188.04726	4.5
189.01920	8.3
190.02693	6.0
190.99825	8.6
191.03543	3.3
191.05568	5.0
192.00540	3.4
197.02437	5.8
198.03258	10.2
199.04034	3.1
199.07716	4.3
200.01135	6.8
201.01918	8.5
201.05643	4.8
202.02696	8.2
202.06352	2.6
202.99898	5.2
203.03465	11.0
203.07155	3.2
205.01428	10.2
211.03911	2.2
211.13409	71.5
212.13846	3.6
213.02025	13.3
214.02701	16.0
215.03435	5.0
215.07158	4.8
215.10808	5.1
216.00629	11.8
216.04254	3.7
217.01369	6.6
217.05032	7.1
217.08670	5.5
218.02213	2.4
225.01953	7.3
226.02744	9.6
227.03427	3.2
227.07114	5.4
228.00519	4.2
229.01424	17.8
229.05069	5.8
230.02171	8.9
230.99394	4.1
231.02951	15.9
233.06694	2.8
234.01599	2.1
241.01459	10.9
241.05064	12.2
241.08737	2.2
242.02243	14.0
242.09506	2.7
242.99342	2.8
243.02986	6.0
243.06720	4.0
243.10121	4.9
244.00185	9.9
245.00874	3.6
245.04544	4.8
246.01556	1.9
246.98778	3.0
247.02451	3.4
248.03322	5.2
251.01863	5.1
253.01375	5.3
253.09276	9.6
254.02184	5.6
254.99608	1.9
255.02936	7.5
256.03604	3.8
257.00977	10.3
257.04562	7.4
258.01581	5.5
258.98862	2.3
258.99835	2.4
259.02475	21.1
261.00360	3.3
261.04074	2.9
264.02936	1.8
269.00870	8.4
270.01651	8.5
270.99103	1.9
271.02487	9.3
271.13339	10.8
272.03195	4.8
273.04013	7.2
273.07245	2.8
274.01260	2.3
275.02002	3.0
281.00742	4.2
282.01663	2.7
283.02707	4.6
283.09695	4.8
284.03223	6.2
285.01053	2.4
285.04044	13.0
285.07666	6.6
286.01239	2.7
287.01993	9.6
287.05600	7.6
287.16382	4.4
288.06125	2.1
297.00446	7.2
298.01117	7.5
299.01968	9.0
299.99146	100.0
300.99786	35.4
301.03537	12.6
302.04346	14.2
305.02951	7.4
311.05502	3.3
312.02588	3.3
313.00034	4.4
313.03543	30.2
313.14377	3.0
314.00708	4.9
315.01636	4.2
315.04907	9.5
315.18536	10.1
317.02905	6.0
325.14456	4.2
327.08679	16.4
328.99405	3.5
329.03049	38.8
330.03552	5.5
334.48459	2.8
341.13809	3.9
342.00253	9.5
357.02444	8.6
358.25867	2.4
359.11313	7.1
369.13440	7.9
371.07693	2.4
385.16513	3.0
387.07117	10.0
387.14389	2.9
388.07971	38.2
389.05161	7.4
403.10403	30.1
404.10577	3.8
447.05533	50.0
447.16553	50.5
447.22437	36.5
448.05432	2.8
448.16776	5.5
448.22693	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	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51138	0.6
59.01393	5.2
61.41896	0.7
70.26136	1.1
71.01384	7.8
73.02956	3.0
83.01429	0.7
85.02962	3.4
89.02467	2.3
95.01380	1.8
97.02958	0.6
99.00883	2.4
101.02460	4.4
107.01388	1.0
108.02187	44.9
109.02988	16.8
111.00913	0.6
113.02475	2.7
123.00890	3.3
123.04582	0.8
124.01686	1.7
125.02441	5.0
133.05090	2.0
135.04543	1.1
139.00418	1.2
141.01881	0.9
151.00386	1.1
151.04001	1.7
152.01169	87.9
153.01768	3.2
161.02383	0.7
161.04576	1.2
163.04024	3.5
166.99895	1.5
168.00621	1.2
169.01427	4.4
177.01917	1.2
211.02556	2.3
229.01364	0.7
245.01097	0.7
245.04143	0.6
267.03345	0.7
271.04657	3.5
271.08194	0.7
275.01883	1.5
285.04089	0.9
295.10309	3.7
299.99252	0.9
300.99902	4.5
315.07114	1.1
327.96155	0.7
329.13507	0.6
331.06503	0.8
354.06033	0.8
373.08023	0.9
426.49130	1.1
429.10110	1.1
447.11469	100.0
448.11813	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1299
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02392	1.2
51.31506	0.6
57.03443	0.7
59.01391	6.8
69.03462	64.8
69.83129	2.7
70.03799	1.0
79.01897	36.8
81.03469	3.5
83.01443	0.8
85.02951	0.8
87.00878	10.1
95.01391	2.4
97.02956	36.8
97.06570	1.4
98.03297	1.2
98.22680	1.0
101.02438	1.9
107.01400	89.5
108.02249	11.2
109.02990	3.8
121.02969	4.1
123.00897	5.0
125.02460	68.2
126.02769	1.5
130.99858	1.7
133.02934	1.6
134.03799	1.2
135.00900	54.7
135.04546	0.9
136.01755	4.8
137.02438	2.9
145.02965	1.2
149.02458	2.8
151.00383	75.7
152.01180	30.5
153.01978	5.3
159.04515	1.0
163.04031	5.8
171.08070	0.9
172.05292	1.0
173.06084	7.9
174.06923	1.5
175.07671	1.2
177.01935	10.4
183.66982	0.7
187.07625	2.2
188.04732	0.9
189.09271	1.3
197.06091	1.2
198.03273	1.9
198.06789	1.1
199.07684	3.4
203.07236	1.3
215.07144	3.2
215.10474	0.9
216.07878	0.9
217.08679	2.5
218.09523	3.3
221.09650	0.7
225.05621	1.0
227.07236	3.0
242.05870	100.0
243.06612	59.7
243.10342	1.6
244.06981	3.3
245.10744	0.8
271.13541	1.0
285.04398	0.7
285.07706	3.9
299.99185	7.4
300.99826	2.3
325.14420	2.4
339.07346	5.3
350.10187	1.1
369.13416	2.9
378.80081	0.8
387.10727	1.6
447.05499	2.6
447.12762	24.8
447.17203	13.5
448.13208	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	447.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03115	0.2
59.01382	0.3
61.98819	0.4
62.96413	1.2
67.45327	0.2
70.69086	0.4
71.10612	0.3
78.95913	45.3
85.89864	0.2
88.36977	0.3
96.96967	3.1
120.74138	0.3
122.06328	0.3
149.00108	19.4
150.00476	0.5
151.01648	0.3
152.99583	0.4
158.92570	2.0
179.01154	2.5
182.96896	0.2
205.16023	1.2
215.84354	0.3
216.00577	0.5
240.96843	0.5
263.55881	0.3
267.11661	0.4
285.04016	0.9
299.99146	10.1
300.99911	3.6
310.09482	0.3
347.08344	0.7
388.62973	0.3
417.12424	0.8
431.10294	2.7
432.10852	0.3
447.06290	3.6
447.13461	100.0
448.06854	0.5
448.13815	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82915	1.3
57.03439	2.3
59.01370	1.7
70.39465	1.4
70.39778	1.5
71.01375	1.5
78.49967	1.0
87.00883	100.0
88.01204	1.3
95.97906	1.1
97.06615	5.9
101.02448	1.9
115.00364	1.2
121.03001	1.1
121.47076	1.2
125.82844	1.2
130.99869	32.7
132.00684	1.9
145.02977	2.7
145.06592	3.7
146.03734	4.0
147.04495	1.7
147.08159	2.9
158.03767	6.3
159.04514	3.4
160.05232	1.4
161.05989	1.5
170.03618	1.3
171.04533	1.6
171.08147	2.9
172.05296	2.4
173.06082	33.5
174.03163	2.7
174.06844	10.8
175.07631	11.5
185.06111	2.2
186.06844	2.5
187.03972	1.9
187.07632	8.2
188.04797	5.0
189.05605	5.3
189.09233	7.1
196.05403	1.6
198.03259	4.1
199.04016	2.6
199.07642	9.8
200.08383	3.7
201.05618	2.3
201.09178	7.8
202.06374	2.8
203.07182	10.2
204.07495	1.2
213.09268	1.4
214.06343	2.6
215.07153	11.6
215.10696	1.8
216.07869	3.7
217.08669	12.1
218.09499	17.9
219.10144	1.5
225.09244	2.8
227.07141	13.5
228.07869	6.7
229.08710	2.2
243.06644	6.8
243.10295	7.2
243.13983	1.4
245.08131	2.9
260.10522	1.4
271.06076	2.5
271.13361	4.3
272.07053	1.5
283.13055	1.3
299.99155	13.2
300.99884	3.7
303.19559	1.8
313.14465	5.5
325.14386	6.5
326.14825	1.3
341.13849	4.9
350.10062	9.7
369.13519	12.0
387.14542	2.2
403.17673	1.6
447.05984	6.8
447.16623	99.7
447.29782	2.5
448.16998	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	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01723	1.1
61.98840	7.9
71.01392	16.5
73.02963	0.8
73.39351	0.6
83.01386	0.9
85.02979	2.0
87.00896	0.6
89.02459	24.8
90.02820	0.6
93.30638	0.6
95.01424	1.5
96.96040	0.8
96.98679	0.7
101.02464	8.7
104.98389	0.7
113.02458	7.0
119.03516	10.5
121.03008	1.0
123.00926	1.6
125.02496	3.1
131.03603	0.6
137.02496	0.8
143.03545	2.2
144.28241	0.6
146.75287	0.5
149.04652	0.8
151.00412	1.4
158.58638	0.6
161.02432	0.6
161.04610	3.0
165.01941	0.7
169.01474	2.9
170.01816	0.6
173.02382	0.8
179.05637	11.1
181.08850	0.6
185.92169	0.7
189.02023	0.8
196.07384	0.9
201.68845	0.6
211.09920	0.7
216.00763	1.2
218.02084	0.7
229.01550	0.9
242.99356	0.9
245.00908	1.4
257.01221	0.6
259.02222	0.6
267.12515	1.2
273.00443	3.4
275.02142	1.5
285.04193	1.3
299.99176	24.7
300.99951	10.4
302.00296	1.3
419.02649	1.1
435.83032	0.6
447.05774	10.3
447.14822	1.3
448.06314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34922	0.3
52.69369	0.3
56.19206	0.3
59.01385	100.0
60.01725	1.2
69.27074	1.9
71.01385	5.3
73.02958	1.1
83.01418	0.4
85.02974	1.5
89.02460	3.6
92.00505	0.3
94.71716	0.3
99.00930	0.4
101.02460	3.4
113.02463	2.2
119.03483	1.5
124.01709	0.6
125.02457	0.4
143.03519	0.5
153.46332	0.3
161.04568	3.3
179.05623	0.6
207.10425	0.3
210.12193	0.5
211.12483	0.3
228.24017	0.3
253.90698	0.3
267.12454	1.2
285.04193	0.5
299.99124	12.8
300.99820	4.0
387.20276	7.3
388.20667	0.9
433.35501	0.4
447.05573	6.8
447.12878	0.6
447.22650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
59.01385	100.0
60.01720	0.9
65.00768	0.3
68.92685	0.3
69.23051	2.1
71.01386	4.3
72.27094	0.3
73.02967	1.2
81.87257	0.3
83.01413	0.6
85.02970	1.4
87.00844	0.4
89.02460	2.8
95.01417	0.5
97.43317	0.4
101.02461	3.5
105.16573	0.3
110.49275	0.4
113.02489	1.9
119.03511	1.0
121.22474	0.3
125.02446	0.3
143.03494	0.6
159.03020	0.6
159.64957	0.3
161.04579	3.5
179.05632	0.3
200.01181	0.5
209.11790	1.2
210.12178	0.8
211.12396	0.5
216.00702	0.9
217.01114	0.3
218.87219	0.4
229.01437	0.4
244.00145	1.1
267.12506	0.4
284.03293	0.5
285.04202	0.6
299.99142	25.3
300.99869	7.4
387.20334	7.4
388.20639	0.4
447.05688	11.8
447.22372	1.0
448.05951	1.5
462.80118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01883	7.0
57.03455	4.9
57.64756	0.9
57.94142	1.0
58.00587	1.8
59.01384	64.7
59.55873	0.9
65.67759	1.1
66.93750	0.9
68.13638	1.0
69.03455	2.8
69.22635	1.8
69.23062	4.3
71.01389	100.0
72.01707	1.0
72.99302	1.3
73.02953	44.8
75.00882	2.4
81.03460	1.7
83.01389	11.2
85.02957	38.1
86.03336	0.9
87.00890	5.7
89.02454	40.3
95.01405	6.9
97.02962	5.2
97.62505	0.8
98.21873	2.2
99.00890	18.7
101.02451	64.1
102.02795	1.5
113.02463	37.8
115.04023	2.5
119.03532	5.4
125.02467	7.2
128.57701	1.0
129.01961	1.9
131.03526	5.9
143.03506	5.0
149.04597	6.3
159.03040	9.1
161.04570	51.4
162.04866	1.6
165.67528	1.0
191.05597	2.7
233.06645	4.1
293.08835	1.3
299.99142	2.5
312.77206	1.0
315.18149	35.8
316.18521	2.9
329.70743	1.1
366.37177	1.1
447.22394	80.6
448.22620	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	447.2241
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.94052	0.5
55.01879	1.1
57.03452	1.4
58.00574	0.7
59.01384	100.0
60.01742	0.9
62.06007	0.5
69.03461	1.1
69.23644	3.6
71.01387	59.5
71.28403	0.6
72.01748	0.8
72.99329	2.1
73.02953	18.4
75.00879	1.0
75.16867	0.6
77.96887	0.5
83.01400	2.4
85.02964	8.6
87.00877	5.4
89.02453	91.1
90.02769	1.4
95.01403	1.8
97.02949	1.7
99.00370	0.4
99.00886	22.0
101.02451	37.5
113.01714	1.2
113.02461	15.5
115.04029	0.7
119.03509	16.2
121.03017	0.5
125.02470	4.6
130.99876	0.9
131.03513	14.7
143.03520	3.3
149.04562	40.6
150.04820	0.9
161.04591	3.2
173.06004	0.9
174.03185	0.5
179.05661	5.0
189.53593	0.6
191.03986	0.9
191.05623	11.0
202.99905	0.6
203.07231	0.7
211.13310	2.1
221.06656	1.5
233.06593	1.8
251.07687	2.3
271.13434	1.1
287.16467	0.8
293.08902	0.9
299.99142	8.1
300.99844	2.7
317.23026	0.7
325.14050	0.6
362.99255	0.6
369.13196	1.0
388.07947	2.8
408.68094	0.7
447.05536	3.7
447.16309	7.3
447.22076	19.2
448.16763	0.8
448.22427	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	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41961	0.3
50.76657	0.3
55.01891	0.4
58.49780	0.3
59.01385	100.0
60.01721	1.3
70.78756	0.6
71.01390	7.6
73.02952	0.4
85.02979	0.8
87.00882	0.4
89.02453	14.3
95.01406	0.8
101.02452	4.8
113.02460	4.3
119.03519	5.9
123.00928	0.6
124.01707	0.3
125.02441	1.4
131.03523	1.0
139.33090	0.3
143.03526	1.8
149.04611	0.8
151.00391	0.3
151.04004	0.3
161.02429	0.4
161.04575	1.7
168.00351	0.3
169.01447	1.4
179.05629	9.4
179.07173	0.6
180.05832	0.3
181.42903	0.3
203.03720	0.4
229.01575	0.3
243.13504	0.3
245.01059	0.5
273.00449	0.5
274.01083	0.3
275.02094	1.0
284.03299	0.4
285.04044	1.4
299.99490	0.6
300.02869	0.4
300.99951	1.4
301.03070	0.4
328.99484	0.9
356.98761	0.3
385.61725	0.3
447.01950	0.4
447.09503	1.1
447.15228	1.4
447.22571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.8
61.90314	0.6
69.91515	1.7
69.91851	1.2
78.95906	5.4
80.26967	0.7
110.98560	4.0
133.38596	0.8
139.43959	0.8
167.01154	2.2
185.02205	3.6
199.27899	0.7
204.74098	0.8
208.97646	5.5
209.97772	0.7
225.00761	9.7
226.00865	0.8
243.01900	1.2
279.23322	100.0
280.23642	8.7
299.99146	7.2
300.99902	2.6
328.75061	0.7
415.31650	0.8
447.05490	3.5
447.25061	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	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14560	0.4
58.71570	0.5
59.01384	18.7
60.01708	0.8
61.01815	0.6
61.98833	100.0
66.09245	0.5
71.01387	2.5
73.02933	0.7
84.57148	0.4
85.02962	0.5
89.02474	1.1
92.16091	0.5
100.58669	0.5
101.02471	1.0
113.02471	1.0
119.03521	0.7
123.00922	0.6
125.02469	0.7
135.02998	0.9
161.04602	1.3
166.99944	0.5
169.01445	0.6
179.05615	0.4
206.11127	0.4
216.22760	0.4
227.16536	0.7
232.07687	0.5
275.01984	0.6
389.22144	0.8
449.10980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.2
59.01385	100.0
60.01718	2.7
65.38189	3.0
70.49628	5.2
71.01389	36.1
73.02946	4.9
80.50333	2.9
83.01362	3.2
85.02958	9.6
89.02451	44.5
95.01396	6.5
100.48166	3.4
101.02454	26.5
107.01366	4.0
113.02441	17.4
119.03521	25.8
123.00916	6.5
125.02494	14.6
135.02994	4.1
149.02391	3.0
149.09744	19.7
153.09291	5.0
154.01440	4.6
161.04564	13.4
167.10770	36.1
168.11047	3.4
169.01422	14.7
175.04027	3.6
179.05661	23.2
191.03526	4.1
203.03632	4.1
217.01370	5.6
225.14944	8.9
229.01443	5.9
243.15977	9.3
252.88821	3.9
257.00952	5.9
273.00519	6.0
275.01904	16.9
283.02570	3.9
285.03592	5.1
300.99869	42.8
302.00217	7.2
371.07819	4.3
390.52808	6.8
405.21252	33.7
426.07169	5.7
439.06000	6.6
448.15543	17.7
448.21210	4.1
448.55469	3.7
449.03720	4.2
449.10538	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73489	0.8
57.25574	0.8
59.01383	5.7
61.98808	1.0
65.00337	6.2
67.06526	0.8
69.31265	4.7
71.01387	4.2
72.99313	2.4
75.02444	0.8
83.01366	1.8
89.02445	1.8
92.98337	0.9
93.03506	1.1
98.21944	1.6
101.02431	1.7
105.03445	1.6
107.01395	1.6
107.17539	1.1
108.02177	0.9
113.02428	1.0
115.01862	1.3
116.92867	9.5
117.03451	0.9
117.53080	1.0
119.01420	1.5
119.48719	0.9
120.47494	0.9
121.02948	1.7
122.03741	3.4
123.00866	2.4
125.02458	4.2
131.01392	10.5
133.02927	1.9
135.04555	1.2
143.01389	1.5
145.02942	2.4
147.00911	7.3
149.02435	3.3
150.03242	27.1
151.00375	1.5
153.05595	1.9
158.00116	2.9
159.00923	6.1
160.01762	1.2
161.02455	8.7
161.04562	0.9
163.00368	4.4
163.04025	7.9
165.05579	60.5
166.05887	1.0
169.01486	5.5
171.04518	1.1
173.02449	2.6
175.00388	7.2
175.04004	0.9
176.01164	1.4
177.00462	1.5
177.01945	21.1
187.00381	38.6
187.04080	1.6
188.00993	3.7
189.01932	6.4
190.99879	5.1
191.03580	1.8
199.00832	1.2
199.03876	1.8
201.01987	1.5
201.05887	0.9
202.99907	11.1
205.01459	1.5
211.04178	1.7
213.01903	1.0
213.07671	4.2
213.99129	18.4
214.99901	42.0
215.03413	2.9
216.00491	5.9
217.01456	6.9
218.99376	1.6
227.03452	1.2
229.01509	5.7
230.01973	1.3
230.99390	25.3
231.99942	2.5
233.00894	2.4
241.98509	2.2
242.99374	7.1
243.03056	3.0
244.00021	1.2
245.00996	1.9
246.28651	0.9
257.04593	1.1
258.01590	1.1
258.98904	6.5
259.02597	1.3
259.99625	3.9
261.00452	10.1
269.00900	1.2
271.02423	2.5
274.01108	1.1
285.97543	15.0
286.98315	6.9
287.01791	1.8
290.97229	2.8
300.99863	1.8
303.01419	0.9
303.09387	0.9
317.03131	1.6
334.97491	1.2
353.05173	2.5
377.05090	2.4
388.95160	3.7
389.00723	1.2
405.04697	6.9
421.04187	6.9
422.04358	1.2
449.03647	100.0
449.12521	7.8
450.03976	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	449.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.4
65.00327	4.0
67.01855	1.3
71.01379	1.8
73.02950	2.1
75.02381	1.0
85.02945	1.2
87.00901	1.9
89.02440	1.0
93.37641	0.8
101.02451	1.2
103.01913	1.1
104.49487	0.7
107.01383	2.1
108.02130	1.0
110.86808	0.9
111.00935	0.9
115.01918	1.6
117.01968	1.4
117.03530	1.0
119.01425	1.5
119.21111	0.8
121.02998	1.0
123.00883	3.2
124.01653	1.1
125.02457	6.0
126.21524	0.7
131.01396	10.9
133.02946	1.1
135.04501	1.0
136.50078	1.0
137.02588	1.1
142.96651	1.4
143.01376	1.3
145.02951	3.0
147.00897	8.0
149.02493	1.4
151.00359	1.8
158.00064	2.1
159.00932	6.4
159.04369	0.9
160.01622	2.2
161.02440	6.4
163.00378	4.5
163.04042	7.9
165.01973	1.2
165.05547	2.3
169.01422	7.9
172.97661	2.8
173.02449	3.1
175.00388	7.1
177.01944	22.2
184.97696	3.3
185.99609	1.1
187.00380	41.7
187.04018	1.7
188.01004	4.3
189.01973	5.8
190.99843	3.7
191.03499	3.1
193.01498	1.2
199.04016	1.7
201.01941	1.5
201.05597	1.1
203.00075	9.0
211.04013	1.1
213.99078	19.4
214.02515	1.1
214.99884	36.4
215.03297	2.2
216.00504	4.6
217.01405	6.5
218.02005	1.0
218.99348	1.1
219.02893	0.9
227.03429	1.9
229.01453	4.5
230.02242	1.2
230.99384	26.5
231.03027	1.7
231.99994	1.9
233.01044	3.0
242.02274	1.7
242.99414	5.4
243.03008	3.1
245.00665	1.3
258.01605	1.5
258.98874	7.7
259.01355	1.3
259.02402	0.9
259.99588	3.7
261.00427	9.5
263.02170	1.7
271.02448	2.5
271.93658	0.9
273.00522	1.0
285.97580	14.0
286.98361	7.2
287.01746	2.0
289.02640	2.6
300.99814	1.2
316.97543	2.1
317.03079	1.7
353.05029	2.4
372.96298	0.9
377.04962	2.5
388.95798	3.3
405.04459	5.0
406.04462	0.9
421.04199	7.4
449.03638	100.0
449.12888	15.2
450.04010	12.2
450.09686	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.0
71.01376	4.8
72.99310	0.5
73.02956	1.8
79.95744	7.5
80.96523	1.9
83.01437	0.7
85.02964	3.3
87.00894	3.2
87.51248	0.5
89.02451	3.6
93.03456	2.6
95.01402	0.6
95.95219	1.0
96.96020	60.9
97.02983	0.9
97.06609	1.1
99.00925	0.7
101.02444	5.9
111.00876	1.3
113.02509	2.5
113.92630	0.7
119.03515	1.0
119.05046	0.9
125.02444	1.6
135.04578	0.8
138.97067	1.6
150.97093	1.3
161.04565	1.6
162.03142	0.7
169.01469	1.1
173.04559	2.5
175.07805	0.8
179.05620	0.5
183.13910	8.2
185.14403	0.5
195.13878	7.4
208.00038	0.5
211.13387	1.2
212.13831	1.1
213.14983	55.4
214.15344	2.0
219.10399	0.8
229.08710	0.8
241.00249	5.8
246.99211	1.0
248.17479	0.6
253.09303	9.9
256.99765	2.4
265.00311	0.7
267.77811	0.5
275.09338	0.9
293.61566	0.5
300.99942	1.3
301.99731	1.0
351.10934	2.1
369.12265	100.0
370.12662	7.5
389.05508	0.8
390.08624	0.6
417.08447	0.7
449.06226	1.6
449.17072	2.4
449.23358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
51.86140	0.5
56.92313	0.4
57.03466	0.7
59.01387	47.7
60.01688	0.6
67.01869	0.8
69.03462	0.9
70.01402	1.4
71.01019	0.9
71.01391	12.0
72.99292	0.8
73.02968	3.1
79.01894	0.6
81.03478	0.8
83.01393	1.8
85.02969	4.5
87.00878	1.2
89.02451	9.3
95.01402	1.9
97.03004	0.8
98.22540	0.6
99.00893	1.1
99.04543	1.1
101.02457	9.4
107.01393	6.3
107.05036	0.7
111.00891	0.6
113.02468	6.1
119.03501	4.5
119.65943	0.5
123.00893	5.3
123.04538	0.7
124.01680	4.1
125.02459	26.8
128.90192	1.7
131.03484	0.6
134.03734	1.8
135.04541	100.0
136.04002	0.5
136.04903	3.2
137.02472	0.7
139.00391	1.1
140.01201	1.0
140.97298	0.5
141.01953	0.9
143.03529	1.3
149.02426	1.0
149.04512	0.7
150.03268	1.0
151.00339	3.8
151.04092	0.8
153.01945	1.0
159.03027	0.9
161.04594	5.4
165.05603	1.3
168.00659	1.8
169.01440	34.7
177.01979	0.9
179.00012	0.6
179.03468	0.6
179.05658	2.3
187.00436	0.6
191.07170	0.6
193.01424	0.8
200.58656	0.5
211.02571	0.8
214.99855	0.6
223.02477	1.0
227.16621	1.4
233.85455	0.6
241.03566	0.7
287.09125	0.7
297.09814	3.9
300.99948	0.8
313.05673	26.6
314.06046	1.6
389.21808	4.4
401.15970	0.9
402.14999	1.2
441.26706	0.6
449.10922	48.6
449.19910	5.6
450.11310	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	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83190	0.7
59.01384	33.9
61.98815	1.0
71.01391	5.6
73.02973	1.2
83.01373	0.9
85.02969	2.0
87.00903	1.2
89.02455	5.5
95.01408	1.3
96.95982	1.0
101.02474	3.5
113.02483	2.9
119.03506	2.2
119.27157	0.8
125.02460	2.2
135.04544	2.5
137.02481	0.8
141.46518	0.8
145.02960	1.0
151.00372	3.8
153.09218	1.0
160.01651	1.4
161.02565	1.8
161.04558	2.0
169.01471	3.4
173.02531	1.0
175.03973	1.0
176.01172	2.9
179.05658	1.9
185.02461	2.9
188.01196	2.1
189.01939	10.3
190.02702	1.6
197.06180	1.7
198.34081	0.9
200.01128	0.8
203.03194	0.9
209.00894	0.9
211.02515	1.2
213.02071	3.9
213.05687	1.0
214.02727	48.6
215.03120	3.9
215.07181	6.6
216.30251	0.9
217.01476	1.0
220.00142	3.8
225.05603	2.0
227.03398	1.3
229.01352	1.1
241.05029	1.3
243.06638	38.3
244.06926	2.6
245.00708	1.3
245.04594	1.6
246.99107	0.9
247.09695	1.7
255.02888	1.3
257.04340	0.9
258.01794	0.9
258.09122	1.6
259.09845	2.1
259.99661	7.0
261.00241	1.6
268.00156	2.4
272.03299	4.2
273.04178	0.9
274.08508	3.2
275.01898	2.0
286.08328	1.4
287.05869	3.3
287.09250	60.2
288.09610	4.6
299.99435	1.3
300.02618	4.6
300.99820	2.8
301.07196	1.3
301.99945	2.4
318.11029	5.4
329.06564	2.1
330.07401	2.2
331.08319	6.5
341.06732	2.1
373.09390	4.7
382.02017	0.9
386.52573	0.9
389.08804	100.0
389.21951	2.9
390.09479	42.9
391.02786	2.8
391.09799	2.6
391.53250	1.7
394.08939	1.5
449.11304	6.5
449.23679	1.9
453.03027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01385	16.7
61.98841	0.9
62.49846	0.6
66.70934	0.5
71.01380	3.6
71.24626	0.8
73.02954	1.7
74.38905	0.6
85.02959	1.9
89.02465	3.7
95.01414	0.6
99.00877	1.2
100.93353	0.7
101.02456	3.0
109.02969	0.6
113.02451	2.0
116.92870	2.5
119.03506	1.2
123.21227	0.6
124.01698	0.8
125.02374	1.8
128.04973	0.7
135.04532	1.0
137.02461	1.1
143.03496	0.8
145.01474	1.6
151.00378	0.9
155.10796	0.7
160.01700	1.0
161.02493	1.8
161.04561	1.1
161.82735	0.5
163.04010	0.6
165.01906	1.1
169.01442	2.9
173.02437	0.8
175.07637	0.6
176.01187	1.7
176.75156	0.6
177.01880	1.6
185.02406	3.0
188.01042	0.8
189.01949	10.8
190.02702	1.4
192.00664	0.6
197.06226	0.8
198.03230	0.9
199.07703	0.7
199.13379	0.8
201.01898	1.2
203.07295	0.6
209.00916	1.4
212.01134	0.6
213.01952	5.0
214.02739	44.7
215.03076	3.1
215.07092	7.6
217.01469	1.0
217.05051	1.1
220.00140	2.4
225.05666	2.3
227.03456	1.3
227.16536	0.7
230.99356	0.8
231.06544	0.7
231.10210	1.0
242.05908	1.1
243.06651	35.7
244.07008	2.3
245.04613	1.5
245.08269	1.0
246.99019	1.6
247.09747	2.2
255.03157	0.9
257.04663	0.6
257.08322	0.6
258.01578	0.7
258.08987	1.3
259.09793	2.6
259.99606	5.3
261.00397	2.5
263.09222	0.7
268.00110	1.7
272.03293	4.2
273.03906	0.7
274.08633	2.7
275.02011	1.2
275.09149	1.3
283.99979	0.7
285.04211	0.9
286.08405	1.0
287.09274	57.2
288.09625	4.5
297.04019	1.3
299.02048	0.8
299.99277	1.0
300.02783	3.2
300.99731	2.9
301.07114	1.0
302.00089	2.1
318.11133	3.3
329.06839	1.9
330.07446	1.3
331.08218	5.2
341.06708	2.0
358.06705	1.0
362.10251	0.7
373.09549	4.8
389.08813	100.0
389.22089	2.0
390.09509	38.1
390.52536	1.1
391.02838	2.0
391.09991	2.1
391.53314	1.9
394.09061	1.7
405.12003	0.9
449.11389	5.3
449.24310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77871	0.4
59.01382	6.9
63.61276	0.5
65.00331	0.5
67.01897	0.8
68.09814	0.4
69.23451	2.2
71.01396	3.5
73.02946	0.9
79.01911	1.4
83.01399	0.5
85.02979	1.5
87.04490	0.5
89.02444	2.7
95.01402	1.9
97.02950	1.0
101.02448	3.0
105.42956	0.4
107.01402	4.4
111.00893	1.4
113.02479	1.4
116.94692	0.4
117.05529	0.5
119.03483	1.1
123.00903	15.5
124.01694	7.8
125.02467	17.2
126.02792	0.7
134.44252	0.5
135.06651	1.2
139.00397	1.6
140.01183	1.5
141.01959	2.0
151.00378	8.3
153.01935	0.9
168.00700	3.4
169.01442	24.0
170.01770	1.0
179.03546	0.5
211.02553	3.1
214.99911	0.7
271.04688	4.0
313.05606	2.1
397.28867	0.5
449.13068	100.0
450.13379	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	449.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.8
67.01881	0.6
69.03461	0.6
69.26317	2.2
71.01389	4.9
73.02955	1.3
79.01871	0.6
82.85619	0.4
83.01383	0.9
85.02944	2.0
87.00880	0.7
89.02438	3.8
94.35104	0.4
95.01398	2.0
97.02968	1.0
101.02438	3.6
102.80717	0.4
107.01403	5.1
111.00903	1.3
113.02467	2.1
119.03502	1.3
123.00896	16.4
124.01684	11.1
125.02464	22.4
126.02812	0.6
132.74098	0.4
135.04518	0.6
135.06665	1.7
136.98772	0.7
139.00412	2.2
140.01187	1.5
141.01955	2.1
151.00389	9.8
151.03940	0.4
152.00743	0.5
153.01903	0.6
163.03964	0.6
165.01921	0.5
168.00639	3.4
169.01440	32.4
170.01721	1.0
179.03635	0.4
192.14929	0.4
195.02972	0.5
211.02510	7.2
253.03642	0.8
262.63922	0.4
269.06708	0.7
271.04605	10.7
285.54373	0.5
313.05701	2.9
313.96893	0.4
331.06665	0.7
449.13025	100.0
450.13376	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	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.34620	1.1
60.01717	2.2
66.12876	1.1
70.78352	1.8
71.01365	1.9
77.39936	1.0
85.02988	1.1
89.17890	1.0
98.21976	1.0
102.42085	1.1
114.76546	1.1
125.02473	1.4
137.02460	4.2
152.04803	2.5
153.05594	9.9
166.99802	1.2
195.95023	1.2
197.04543	1.5
212.06993	6.2
227.09265	18.0
260.95206	1.2
297.51871	1.1
304.88336	1.1
313.63364	1.2
335.66803	1.2
431.11606	1.4
449.03253	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	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03456	7.9
59.01385	82.3
60.01709	1.4
68.58810	0.7
69.03461	11.1
69.29738	4.3
71.01386	40.3
71.05013	2.7
71.07025	0.7
73.02962	8.7
75.00850	0.8
78.95911	2.2
83.01396	3.2
85.02951	12.6
87.00867	2.7
87.04514	2.3
89.02455	37.5
95.01391	3.4
99.00885	1.5
99.04536	1.2
101.02454	28.9
103.04023	1.0
108.84822	0.7
109.02976	0.8
111.08185	1.5
113.02460	18.3
113.06130	0.9
119.03508	16.8
121.05080	7.5
123.00901	1.1
123.08200	1.2
125.02431	2.8
131.03471	1.4
137.02391	0.9
139.11308	28.9
143.03517	3.9
149.04643	1.1
150.14107	0.8
151.00317	1.2
159.03035	1.8
161.02505	0.9
161.04570	15.6
164.21217	0.7
169.01419	1.3
170.28157	0.8
179.05624	8.9
183.10277	100.0
184.10612	4.6
187.06052	0.9
189.01976	1.3
197.11896	1.2
209.53703	0.8
214.02739	1.9
221.06688	1.0
225.11273	0.9
227.16579	1.6
243.06647	1.5
245.00818	0.8
265.09277	5.1
275.01859	0.9
283.10352	25.7
284.10620	1.5
287.09250	2.9
287.13943	1.2
287.18567	2.3
299.99203	2.3
300.99643	4.5
301.99823	7.1
303.00412	2.8
389.08798	1.4
389.21936	7.6
390.09796	3.7
390.22299	1.5
426.57217	1.2
439.56049	1.0
449.06296	6.8
449.24234	15.8
450.24542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03456	7.9
59.01385	82.3
60.01709	1.4
68.58810	0.7
69.03461	11.1
69.29738	4.3
71.01386	40.3
71.05013	2.7
71.07025	0.7
73.02962	8.7
75.00850	0.8
78.95911	2.2
83.01396	3.2
85.02951	12.6
87.00867	2.7
87.04514	2.3
89.02455	37.5
95.01391	3.4
99.00885	1.5
99.04536	1.2
101.02454	28.9
103.04023	1.0
108.84822	0.7
109.02976	0.8
111.08185	1.5
113.02460	18.3
113.06130	0.9
119.03508	16.8
121.05080	7.5
123.00901	1.1
123.08200	1.2
125.02431	2.8
131.03471	1.4
137.02391	0.9
139.11308	28.9
143.03517	3.9
149.04643	1.1
150.14107	0.8
151.00317	1.2
159.03035	1.8
161.02505	0.9
161.04570	15.6
164.21217	0.7
169.01419	1.3
170.28157	0.8
179.05624	8.9
183.10277	100.0
184.10612	4.6
187.06052	0.9
189.01976	1.3
197.11896	1.2
209.53703	0.8
214.02739	1.9
221.06688	1.0
225.11273	0.9
227.16579	1.6
243.06647	1.5
245.00818	0.8
265.09277	5.1
275.01859	0.9
283.10352	25.7
284.10620	1.5
287.09250	2.9
287.13943	1.2
287.18567	2.3
299.99203	2.3
300.99643	4.5
301.99823	7.1
303.00412	2.8
389.08798	1.4
389.21936	7.6
390.09796	3.7
390.22299	1.5
426.57217	1.2
439.56049	1.0
449.06296	6.8
449.24234	15.8
450.24542	1.2
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
51.49543	0.9
57.03437	2.3
59.01387	72.6
60.01676	1.0
68.78889	0.9
70.42146	0.8
70.50138	1.6
71.01389	14.1
73.02940	1.0
85.02946	2.4
89.02453	11.6
99.04533	7.6
101.02449	5.4
113.02476	4.7
119.03488	4.2
130.11823	0.7
142.88126	0.8
151.00357	2.1
159.07683	0.7
164.88487	0.8
165.12825	3.3
171.60165	0.8
202.74800	0.9
207.13914	8.5
209.11844	24.7
213.15349	0.9
225.14995	6.1
251.12953	4.7
269.13962	100.0
270.14313	6.5
274.27225	1.0
287.05563	3.0
287.14932	1.8
301.99557	2.5
449.05984	1.6
449.20239	49.8
450.20734	5.7
458.85999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16346	0.5
55.01884	1.4
57.03444	1.7
58.00600	1.7
59.01385	100.0
60.01729	1.3
60.30761	0.5
60.99342	0.7
61.98827	1.2
69.03481	2.1
69.72501	1.6
71.01389	32.5
71.05035	1.0
72.01732	0.7
72.99315	1.4
73.02967	3.2
75.00876	2.6
79.01881	0.5
81.03459	4.1
83.01414	2.9
83.05051	0.9
85.02959	8.2
85.31019	0.5
87.00880	1.0
87.04523	1.6
89.02455	36.1
90.02769	0.7
93.08916	0.5
95.01397	3.0
97.02968	2.2
99.00883	1.4
99.04531	8.7
101.02448	22.4
107.01400	4.8
107.05034	0.8
107.08686	2.9
108.02239	0.7
111.00936	0.6
113.02464	14.9
114.02775	0.6
115.04015	3.9
119.03517	19.4
120.03836	0.5
123.00900	5.3
124.01675	3.6
125.02457	22.9
125.10925	0.5
126.02795	0.8
131.03525	1.9
134.03741	2.1
135.03036	10.9
135.04538	78.5
136.04907	3.1
139.00388	0.8
143.03510	5.9
145.10260	0.9
149.02481	0.7
149.04556	1.4
150.03247	0.6
151.00401	3.1
159.03064	0.8
161.04572	8.3
161.59644	0.5
163.11296	1.2
168.00668	1.2
169.01437	26.9
170.01758	1.1
171.11850	0.6
179.03491	1.0
179.05638	7.4
181.12332	0.7
187.00449	0.6
189.12798	1.6
193.01364	0.6
207.10272	0.8
207.13896	0.6
219.03145	0.6
225.15077	0.6
227.16550	1.7
229.01294	0.9
231.02783	0.6
233.11827	2.2
251.12781	1.3
255.93826	0.6
269.13962	3.1
269.17487	1.5
287.09256	1.6
287.15372	0.5
287.18542	1.2
297.06192	1.9
297.09744	3.5
300.99832	1.6
302.00214	0.8
313.05707	22.2
314.05911	1.4
389.21790	2.6
390.22589	0.6
431.19077	1.5
449.10748	40.4
449.20193	21.6
450.11307	3.5
450.20505	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03787	0.6
57.97180	0.6
59.01384	100.0
60.01718	0.7
61.05472	0.6
67.88920	0.6
69.39954	2.2
69.40367	1.4
71.01388	7.5
71.05017	1.0
73.02962	2.4
83.01389	1.0
85.02957	3.0
89.02467	2.1
98.21909	1.3
101.02460	5.1
113.02475	3.3
119.03560	1.1
132.68300	0.6
137.09669	0.7
143.03484	0.6
155.10802	3.8
159.02985	0.7
161.04549	8.5
161.05835	0.6
202.38731	0.6
227.16556	6.3
322.16904	0.7
389.21844	7.4
413.97186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
59.01387	100.0
60.49306	0.9
61.98837	1.3
67.45267	0.8
71.01392	16.1
73.02954	3.8
83.01422	1.3
85.02954	3.4
89.02457	22.4
94.32182	0.9
95.01398	1.7
95.09399	0.9
96.96032	1.2
101.02457	9.8
104.13079	0.9
107.01397	1.5
113.02467	6.9
116.92887	3.9
117.92850	1.3
118.92690	2.7
119.03532	8.3
125.02465	2.6
131.03540	1.5
135.04535	2.9
137.09818	1.3
143.03476	2.5
151.00386	3.8
153.09221	3.2
155.10834	4.8
159.04575	1.2
161.04584	4.9
161.87010	0.9
169.01430	3.0
179.05653	6.8
189.02046	1.3
209.15457	2.6
214.02812	3.1
243.06604	4.3
259.99625	2.1
269.04736	1.1
271.06061	1.1
287.05481	4.3
287.09305	5.7
299.99176	0.9
300.99634	2.7
301.99890	3.0
302.99789	1.1
311.96634	0.9
343.08282	4.2
359.20804	8.7
360.20941	1.1
389.08792	5.0
389.21902	11.5
390.09537	6.2
390.22211	1.9
391.03033	1.6
391.53494	1.7
416.52100	1.0
424.36533	1.1
449.05646	1.3
449.20276	4.0
449.25351	1.6
450.05841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.276
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01870	1.6
57.02106	0.4
57.02422	0.4
57.03455	1.1
59.01387	16.1
61.98823	0.5
71.01390	11.4
72.99323	0.6
73.02962	2.6
82.23087	0.5
83.01423	2.7
85.02956	4.8
86.00086	0.5
87.00885	4.3
89.02455	2.6
93.03467	1.1
95.01366	0.9
96.96014	1.7
98.21878	0.9
99.00881	1.2
101.02457	6.7
111.00878	1.3
111.04466	0.4
113.02470	3.3
113.09717	1.1
119.03484	1.0
125.02451	1.1
127.11311	1.4
130.99854	0.5
135.04526	0.8
135.17281	0.5
141.12828	0.5
143.10741	0.7
161.04530	0.9
163.07637	1.9
169.01425	0.5
173.04572	1.0
174.58778	0.5
191.05650	1.4
207.28825	0.4
228.83536	0.5
229.08710	0.6
241.21748	0.5
269.21158	2.9
270.01666	1.0
271.02499	0.5
273.07718	0.6
275.09442	0.5
285.20731	0.6
287.22305	38.4
288.22650	3.0
297.00427	5.2
298.01099	3.1
301.99731	0.8
328.10730	0.7
329.23154	0.7
333.10141	0.7
333.17108	1.1
341.06668	2.9
351.10770	1.7
369.12338	0.9
373.09497	0.8
405.11755	1.2
431.17316	0.6
431.26425	1.6
449.27600	100.0
450.16794	1.3
450.27975	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	450.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14851	0.9
57.03441	3.0
59.01384	51.9
60.01712	2.4
60.50292	1.1
61.98835	100.0
65.00303	1.0
67.01897	1.6
69.03444	1.1
70.93884	1.7
71.01384	20.8
72.01720	1.4
72.99320	1.6
73.02949	4.8
83.01389	2.7
85.02957	5.6
87.00880	2.2
89.02457	13.8
90.02784	1.3
95.01402	3.9
97.02985	1.5
99.00913	1.3
99.04502	2.4
101.02456	13.5
102.02746	1.3
107.01386	3.3
111.00884	2.6
113.02467	7.1
114.02763	1.5
119.03525	5.3
123.00902	23.3
124.01693	12.8
125.02466	13.9
129.05452	1.3
137.02435	1.2
139.00351	2.3
139.58098	1.1
140.01135	1.2
140.76822	1.1
141.01955	4.7
143.03522	1.1
151.00391	18.7
161.04655	2.1
163.03967	1.8
166.06311	1.3
168.00668	3.0
169.01428	16.8
170.01704	2.3
175.28683	1.0
179.05630	2.3
181.08653	1.9
211.02386	1.2
226.15343	1.7
244.00021	1.4
246.00365	1.2
263.46426	1.2
269.13858	2.4
270.14362	6.2
299.99130	2.6
300.99585	10.7
301.99771	14.4
303.00027	22.4
304.00562	5.1
384.90103	1.3
387.12988	86.5
388.13339	9.6
391.09976	2.1
391.23441	1.7
450.06561	29.0
450.20178	15.9
450.99500	3.1
451.12589	25.0
451.21579	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	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09676	0.4
59.01386	9.4
60.01743	0.5
61.98837	100.0
69.39177	1.2
71.01395	4.3
73.02953	0.9
80.15469	0.4
83.01375	0.5
85.02972	0.9
86.06901	0.5
89.02454	3.3
93.03465	8.8
101.02448	2.3
107.01408	1.4
113.02476	1.8
119.03522	1.3
123.00938	1.7
124.01690	1.3
125.02460	7.5
131.02428	0.5
137.02470	14.7
139.00366	0.5
151.00432	1.4
154.89008	0.5
161.04623	1.0
168.00642	0.5
169.01440	11.3
211.02716	0.7
219.41681	0.5
223.77721	0.5
230.82216	0.5
289.20160	0.5
299.07944	0.9
313.05673	10.5
313.09149	0.6
391.10110	0.5
394.59891	0.5
407.10040	1.4
451.08783	7.4
451.25488	1.8
466.87085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.9948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52904	0.4
57.68532	0.4
59.01384	3.4
61.98827	1.6
64.12355	0.4
71.01395	1.1
73.02905	0.3
75.12064	0.4
75.42668	0.3
85.02935	0.5
93.03474	0.5
95.01392	0.6
101.02480	0.6
106.21074	0.5
111.04588	0.4
111.38535	0.4
123.00886	0.7
125.02446	1.3
137.02449	0.7
138.02049	0.8
139.03999	0.7
139.05643	0.5
167.05128	0.6
169.01474	0.8
169.06549	0.5
177.01889	0.6
178.76143	0.3
179.05072	0.7
189.01973	1.0
195.04530	1.8
207.04518	0.9
211.04030	1.2
217.01459	0.9
223.04088	2.1
235.04085	0.8
239.03481	1.9
249.01961	0.7
250.02762	1.0
251.03487	2.1
255.02957	0.5
263.03433	1.0
265.01416	0.5
266.02127	1.0
267.00162	0.5
267.02966	3.2
277.01440	0.7
279.02997	1.8
283.02597	0.7
283.05814	0.5
293.00937	0.7
295.02481	2.9
305.01068	0.9
307.02502	1.6
311.01959	2.7
311.05515	0.7
321.00528	2.5
322.01086	1.1
323.01981	5.3
324.99872	0.7
333.00427	0.8
334.01178	0.9
335.02084	3.8
336.99976	0.6
338.00613	4.4
339.01416	6.0
348.99866	1.7
350.00626	1.4
351.01508	6.4
352.01791	0.8
352.99033	0.4
357.06110	1.1
363.01410	1.8
366.00266	1.9
367.00949	7.9
368.01642	0.6
376.99481	2.2
378.00061	0.5
379.00986	5.5
380.01395	0.6
391.21387	1.1
395.00461	6.4
404.98965	3.1
405.99948	0.5
407.00433	2.2
422.99869	3.3
424.00491	0.5
432.98337	8.3
433.98941	1.2
450.99448	100.0
451.25562	1.6
451.99835	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31505	0.6
57.30719	0.6
59.01384	6.8
65.03992	0.6
66.48337	0.7
69.03454	0.7
70.49897	0.8
70.54198	0.6
71.01393	6.9
73.02953	1.2
79.01908	1.4
81.03470	0.9
83.01392	1.6
85.02968	1.8
89.02472	1.4
93.03468	59.4
93.35600	0.5
94.03788	1.0
95.01407	1.5
97.02955	1.1
101.02454	2.0
107.01403	8.5
107.05032	1.2
113.02519	1.6
116.90270	0.5
117.81227	0.6
123.00894	11.3
123.04478	0.5
124.01682	10.3
125.02457	48.2
126.02805	1.8
137.02458	100.0
138.02805	2.0
139.00414	1.4
139.45229	0.5
140.01189	1.3
141.01933	1.3
151.00371	6.6
153.01921	0.8
161.04576	0.6
167.03490	0.6
168.00673	2.8
169.01440	67.0
170.01808	2.3
179.03604	1.0
211.02541	2.4
241.03609	2.6
253.03795	0.8
271.04544	1.0
299.04544	0.8
299.07761	5.4
299.10791	0.9
310.45557	0.8
313.05682	72.3
314.06018	4.2
355.55093	0.7
388.41620	0.7
407.09827	12.1
407.15268	0.7
408.10263	1.7
451.08847	39.5
451.22565	1.2
452.09082	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	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03508	0.6
59.01440	9.6
61.98900	0.7
69.41103	2.2
71.01459	3.0
73.02988	1.2
78.95948	0.6
80.91689	10.4
83.01476	0.5
85.03048	1.2
89.02460	3.4
89.04030	0.7
91.01971	0.6
93.03535	0.7
95.01515	0.7
95.05122	1.1
96.96011	0.5
101.02527	2.3
108.02292	0.8
109.02965	21.7
113.02514	1.1
117.03571	0.6
119.03571	1.1
119.05135	1.1
121.03065	2.0
123.00975	0.7
123.04543	9.3
123.08224	1.0
125.02566	2.1
133.02971	4.7
134.03804	1.2
135.04626	1.9
137.02550	2.2
141.00545	0.8
141.36282	0.5
142.00717	0.5
145.01454	0.6
145.03043	1.4
147.04539	3.4
149.02519	1.1
150.03299	1.0
151.04010	5.8
159.04649	1.3
161.02470	7.4
161.04698	1.1
162.03273	3.7
163.02852	0.6
163.04039	2.8
169.01515	1.7
175.04027	0.8
176.01189	0.9
177.01945	27.2
178.02380	1.1
179.03535	0.9
179.05701	0.6
181.64131	0.6
187.04005	2.7
187.13489	0.7
188.04886	1.4
189.01950	44.5
190.02695	12.2
191.03522	7.4
201.02037	0.7
203.03471	4.8
216.00653	7.7
217.01439	26.0
218.02034	3.2
219.02974	10.2
229.08754	1.5
231.02971	8.4
232.03758	1.0
233.04759	0.6
245.11963	2.6
275.02078	1.4
281.04532	4.8
282.05148	0.7
287.05667	1.4
288.34833	0.7
289.07248	1.9
297.07831	2.7
299.05630	7.7
300.99966	0.8
335.02243	0.7
341.06671	100.0
342.07031	8.8
391.16614	0.7
423.00143	0.8
450.24356	1.2
450.99734	8.9
451.10318	21.1
451.16440	0.9
451.25919	2.7
452.10800	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03443	0.6
58.00592	0.4
59.01386	24.5
60.01728	0.4
61.98829	0.9
65.00332	0.3
67.01897	1.0
69.03463	1.3
69.47501	1.2
71.01388	10.8
71.05046	0.3
72.99314	0.8
73.02934	1.6
78.01128	0.5
79.01906	1.3
80.19611	0.2
81.03466	0.8
82.00599	0.7
83.01385	1.3
85.02963	2.5
86.00134	0.4
87.00903	0.5
89.02453	9.6
93.03471	0.7
95.01380	3.4
97.02933	1.5
97.06609	0.3
99.00906	0.9
99.04549	0.7
101.02454	7.1
103.13103	0.2
106.00652	0.2
107.01406	5.2
107.02063	0.5
107.05048	0.4
108.02237	0.4
109.02949	0.9
110.00123	0.5
111.00886	2.4
113.02451	3.7
115.04027	1.4
119.03532	4.0
119.04995	2.6
123.00900	20.0
123.04477	0.3
124.01686	14.2
125.02467	21.4
126.02805	0.6
127.00383	0.8
131.03516	0.6
135.02983	0.3
135.04587	0.4
136.98839	1.3
137.02498	1.5
137.06090	1.5
139.00389	3.8
139.04027	0.3
140.01195	3.1
141.01964	4.0
143.03491	0.6
149.02481	0.5
149.04547	0.4
150.03267	1.3
151.00386	12.8
151.04036	0.5
152.01208	0.5
153.01939	1.4
161.02509	0.3
161.04585	1.0
163.04018	0.7
165.01927	0.3
165.05592	1.0
167.03484	0.4
168.00668	4.8
168.01974	0.4
169.01440	24.7
170.01834	0.8
179.03513	0.7
179.05652	1.4
181.04962	0.4
191.14359	0.5
195.06679	1.1
209.15533	1.0
211.02484	5.2
223.02493	0.4
241.03447	0.3
253.03555	0.5
253.12210	0.3
253.14597	0.7
271.04657	3.2
271.15659	1.8
272.05038	0.3
300.99997	0.4
313.05658	1.9
375.73962	0.3
376.02469	0.3
391.06787	0.7
433.20804	0.6
451.12564	100.0
451.21487	8.6
452.12961	11.9
452.22549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.7
59.76885	0.4
67.01903	1.4
69.03464	0.9
70.43689	0.4
71.01395	4.6
71.22606	0.7
73.02964	0.6
78.01114	1.1
78.64677	0.5
79.01883	2.2
80.55517	0.6
81.01621	0.4
81.03490	0.5
82.00603	0.7
83.01395	0.5
84.41219	0.4
85.02976	1.2
87.00915	0.5
89.02454	3.8
89.64388	0.4
95.01402	2.8
97.02979	1.3
101.02452	3.5
107.01417	4.7
109.02924	0.8
110.59895	0.4
111.00874	2.5
113.02470	1.9
119.03495	1.1
119.05023	2.8
123.00900	23.9
124.01683	21.3
125.02470	20.9
126.02776	0.6
127.00417	0.5
134.07806	0.4
136.98805	1.2
137.02498	1.1
137.06094	1.8
139.00412	4.2
140.01184	3.9
141.01936	3.7
151.00374	14.3
153.01933	2.0
168.00642	4.7
169.01442	27.9
170.01721	1.0
181.05020	0.5
204.29359	0.4
211.02504	5.6
243.40300	0.5
271.04587	3.6
313.05664	1.9
381.56549	0.5
392.89487	0.5
451.12509	100.0
452.12820	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	451.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
59.01384	4.6
67.01894	0.8
67.42435	0.4
69.03448	0.6
69.48463	2.0
69.48757	0.4
71.01392	3.9
73.02938	0.9
78.01093	0.5
79.01911	2.0
81.03468	1.1
83.01391	1.2
85.02952	1.9
89.02450	1.2
90.20169	0.4
93.03471	0.8
95.01392	2.6
97.02962	1.0
101.02463	2.4
106.04263	2.0
107.01394	8.1
111.00880	1.7
113.02433	2.2
119.05016	2.5
123.00897	17.7
124.01682	13.6
125.02460	44.2
126.02801	1.3
127.00406	0.6
135.04581	0.5
136.98817	0.5
137.02464	1.0
137.06093	28.0
138.06442	1.1
139.00363	2.2
140.01160	2.0
141.01961	3.4
151.00381	11.9
152.00749	0.5
153.01949	1.1
161.04555	0.7
167.03404	0.5
168.00650	3.9
169.01434	56.5
170.01787	1.8
179.03534	1.0
180.83052	0.4
211.02528	1.3
223.02676	0.4
241.03564	0.8
253.03586	0.9
313.05652	14.4
314.05957	0.7
370.09073	0.6
416.84665	0.4
451.12497	100.0
452.12833	10.1
453.63950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
81.88113	27.9
98.22696	54.1
100.93349	68.4
109.86353	34.7
115.92036	32.8
121.90649	36.3
125.02448	61.9
134.67714	31.8
137.72687	28.4
169.01450	72.7
209.56602	28.4
233.11900	39.0
298.56854	42.7
322.17459	30.0
345.04086	35.2
419.28598	30.0
450.99509	49.5
458.27545	31.0
473.16068	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.211
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
54.30383	30.6
58.43069	26.6
59.01385	93.4
62.59089	21.6
70.75218	32.2
70.75565	36.0
71.01390	55.3
85.02967	25.0
113.11382	21.3
116.85603	20.2
137.02501	25.2
157.73949	26.6
229.12280	39.4
267.51205	29.5
301.00037	35.5
450.99191	100.0
451.21179	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47786	0.7
55.01873	1.1
57.03453	2.2
58.00591	2.1
59.01384	100.0
60.41633	0.8
60.99335	0.7
69.03464	2.4
69.58668	3.0
71.01389	38.1
71.05034	1.0
72.99294	1.2
73.02941	1.4
81.03464	7.2
83.01408	2.2
83.05044	1.5
85.02956	7.8
87.00893	1.0
89.02453	54.0
95.01382	2.6
97.02950	2.0
97.06633	1.1
99.04524	7.1
101.02449	30.3
113.02470	16.1
115.03999	4.3
119.03511	28.2
124.01667	1.1
125.02457	3.8
131.03529	2.4
137.02461	7.1
143.03511	4.5
147.11826	3.3
149.04584	2.6
159.03130	0.8
161.04584	5.5
165.12915	1.8
169.01428	4.2
179.05621	10.3
191.14371	1.8
205.01297	0.8
209.15477	5.4
227.16666	1.2
235.13339	2.2
253.03131	0.9
253.14490	3.8
271.15543	8.0
273.00397	1.4
275.02310	0.9
278.59186	0.8
289.16452	1.3
299.07724	1.7
300.99789	1.3
313.05502	1.2
344.33121	0.8
433.21045	1.8
450.99362	2.1
451.08411	4.7
451.21860	56.4
452.22452	4.9
452.27637	0.9
458.44479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14265	0.8
55.01879	0.9
57.03444	1.8
58.00605	2.9
59.01387	100.0
60.41831	0.6
64.60741	0.7
64.63630	0.8
69.03468	5.3
69.24828	4.1
69.25124	0.8
70.77241	0.8
71.01391	41.3
71.05054	2.0
72.65598	0.7
72.99342	1.0
73.02958	2.3
76.15625	0.8
81.03464	8.6
83.01403	3.4
83.05031	1.6
85.02952	8.6
85.06606	1.3
87.00910	2.3
89.02457	58.0
90.02739	0.7
93.03462	1.1
95.01411	2.6
97.02969	2.2
99.04522	12.6
99.08189	1.7
101.02459	30.2
102.02801	0.9
105.07124	1.2
107.01450	1.2
109.06613	4.8
111.04552	1.0
113.02463	17.8
115.04055	3.0
119.03518	30.5
121.06684	1.1
123.00908	2.5
123.02786	0.8
123.08174	3.6
124.01709	2.4
125.02471	7.9
131.03525	2.7
132.66428	0.7
143.03508	5.6
149.04623	2.2
149.06128	1.7
151.00525	0.7
151.11313	1.7
153.05659	2.1
161.04556	4.6
167.07167	0.9
168.00621	1.2
169.01440	12.0
169.02797	1.0
169.12395	1.0
179.05650	9.6
185.11897	1.9
191.14413	4.9
209.15437	4.0
235.13507	2.7
253.14479	9.3
254.15144	0.9
268.16397	0.8
271.15588	7.0
289.07291	5.8
289.16833	1.0
289.20096	1.3
300.99911	1.7
345.04538	1.0
391.23401	1.3
433.20978	1.4
439.59344	0.9
450.99695	1.4
451.12579	15.6
451.22055	44.0
452.03003	0.8
452.12830	1.4
452.22321	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	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96301	0.8
55.01898	0.7
59.01384	100.0
60.01709	0.8
69.46153	3.4
71.01389	17.7
73.02952	2.4
79.01855	1.1
83.01395	1.5
85.02943	4.0
87.00870	1.0
89.02446	17.5
93.03450	3.5
95.01405	1.6
99.00808	1.1
101.02451	11.9
107.01385	1.6
111.00851	0.9
113.02473	8.3
119.03504	8.8
119.04945	0.8
123.00901	5.3
124.01704	4.4
125.02481	8.9
129.65053	0.8
137.02451	6.7
143.03474	1.5
149.04579	1.5
151.00374	2.5
159.03000	1.2
161.04572	7.8
168.00627	1.5
169.01430	9.6
179.05533	4.3
229.18065	1.1
269.97897	0.8
289.20404	1.4
313.05649	5.4
391.23434	19.4
392.23611	1.3
407.31589	0.9
451.12982	18.6
451.24719	3.6
452.12970	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
57.03456	2.0
58.00597	1.2
59.01385	100.0
60.01718	2.1
68.39477	0.7
69.03460	0.9
69.77515	1.4
69.77877	1.0
71.01388	60.7
72.01752	1.4
72.32648	0.6
72.99319	2.0
73.02952	24.9
83.01393	6.1
83.78185	0.6
85.02960	15.5
86.03321	0.9
87.00909	2.5
87.04551	1.9
89.02455	60.1
90.02790	1.1
95.01398	5.0
96.11123	0.7
97.02953	1.2
98.22738	0.8
99.00884	3.1
101.02454	38.3
102.02765	1.2
103.04034	3.7
107.01403	1.5
113.02461	23.8
114.02782	0.7
119.03516	26.0
119.04904	1.0
123.00881	4.2
124.01658	3.4
124.98833	0.7
125.02458	11.1
131.03525	2.3
138.05615	3.4
139.00414	0.9
141.01958	0.8
143.03542	5.6
145.01488	0.7
147.04462	0.8
147.11816	2.5
149.04556	3.6
150.03230	2.6
150.73959	0.6
151.00378	4.5
159.02995	0.9
161.04559	11.1
162.05035	0.8
165.05582	1.6
168.00600	1.5
169.01443	14.0
169.02805	1.1
170.01825	0.7
179.05626	16.2
183.10330	0.9
183.13905	0.7
192.08018	0.6
207.10291	0.8
211.02524	1.7
213.14978	1.1
255.12476	1.9
271.04556	0.9
271.19202	1.0
289.20230	35.6
290.20673	3.0
300.99911	1.5
403.17569	1.6
415.16110	0.8
451.06195	1.1
451.12515	19.3
451.25543	46.1
452.12146	10.0
452.25931	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	451.2858
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
82.20040	0.9
128.01050	0.8
162.02026	0.9
163.11310	1.1
164.04771	0.8
189.09254	4.6
201.09209	4.9
301.21799	3.0
307.17032	1.1
321.07935	0.9
321.18530	2.5
322.19452	3.5
335.20169	12.1
336.20914	1.2
340.63412	0.8
377.24884	4.2
378.25400	1.0
391.26459	2.5
392.27277	9.1
407.29538	2.8
451.28552	100.0
452.28900	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	451.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02930	0.1
58.02978	0.4
59.01382	0.9
59.21582	0.1
69.53266	0.2
69.53651	0.3
80.05059	0.4
81.03461	11.4
82.03804	0.3
82.06606	0.7
83.05031	32.1
84.05374	0.8
89.02438	0.2
91.25890	0.1
100.07677	0.3
107.06148	1.2
107.84042	0.1
108.04559	1.1
114.32474	0.1
125.07223	3.8
126.05612	0.5
143.08267	1.8
143.66156	0.1
181.17178	0.1
189.14000	0.1
195.80783	0.2
201.49673	0.1
207.15042	3.5
208.13486	0.2
208.15436	0.3
224.17690	5.3
225.16090	14.0
226.16422	0.9
242.18721	1.7
250.15607	0.5
257.72592	0.1
266.18951	0.2
268.16769	0.3
290.22482	0.4
292.20459	0.2
306.21939	0.2
307.23914	0.4
308.23706	0.1
309.21832	0.6
324.26584	2.4
325.26764	0.2
333.22992	5.5
334.23160	0.6
339.27597	0.4
349.25891	0.1
351.24109	1.4
352.24832	0.2
367.27127	1.2
368.27374	0.3
385.28256	0.4
406.30759	0.3
433.31873	6.7
434.32327	0.9
451.32904	100.0
452.33212	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	452.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
61.70506	0.3
67.01888	0.3
69.03445	0.5
71.01385	3.3
71.43217	0.3
73.02952	0.6
74.32905	0.3
79.01907	0.5
81.03464	2.8
83.01396	0.5
83.05034	5.3
84.05370	0.4
85.02968	1.0
87.00905	0.4
89.02466	0.4
95.01428	1.0
97.02991	1.1
97.05029	0.3
101.02453	1.7
107.01411	4.7
108.02189	12.9
110.92632	0.4
111.00858	0.5
123.00888	6.8
123.04523	0.3
124.01682	4.9
125.02464	31.3
125.07203	0.3
126.02814	0.9
136.98875	0.4
137.02477	0.4
138.01987	100.0
139.00400	0.8
139.02345	2.1
139.04004	0.6
140.01180	0.8
141.02020	1.0
143.08238	0.4
149.29945	0.3
151.00400	3.9
153.01842	0.4
167.03560	0.9
168.00613	2.0
169.01443	43.5
170.01768	1.2
187.80568	0.3
201.02141	0.4
207.14970	0.8
211.02492	1.7
224.17709	0.5
225.16151	2.6
226.16476	0.4
241.03604	0.5
242.18777	0.4
271.04633	0.9
275.01682	0.6
300.99780	1.0
312.08005	0.7
313.05685	67.9
314.06012	3.4
333.22882	0.7
334.23392	0.3
336.05441	0.3
377.05133	0.4
399.28430	0.3
433.31760	0.9
451.32947	18.1
452.08286	29.3
452.33240	7.9
453.08725	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	452.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47658	0.7
59.01381	5.9
63.32433	0.7
63.37207	0.7
69.03444	1.1
71.01398	4.6
73.02947	1.1
79.01897	1.1
83.01379	1.0
85.02940	2.2
89.02451	3.1
90.08376	0.8
95.01390	2.9
97.02966	1.4
101.02446	2.1
107.01392	6.7
108.36271	0.8
111.00889	2.2
114.20173	0.7
119.03516	1.2
122.99530	1.0
123.00895	21.0
123.03283	3.6
124.01686	8.6
124.74498	0.7
125.02459	39.6
126.02789	1.1
129.95381	0.8
136.98810	1.0
137.02475	1.3
138.05620	49.4
139.00371	4.0
139.05965	1.7
140.01163	3.5
141.01932	3.2
151.00398	9.6
168.00653	2.8
169.01439	47.6
170.01855	1.4
179.03468	1.0
185.02342	1.0
189.01973	1.0
191.03560	1.2
201.02133	0.9
211.02504	2.8
217.01442	1.5
247.02525	2.5
271.04636	1.0
273.00372	1.7
275.02057	2.5
281.86703	0.8
300.10980	0.8
300.99847	2.9
302.22403	0.9
313.05679	8.1
377.03027	1.0
422.24045	0.8
452.12009	100.0
453.12408	10.2
477.57773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98834	6.9
69.15505	46.9
71.01398	49.1
71.89069	8.3
73.02950	15.4
76.97520	6.9
82.08943	6.2
84.65173	7.0
85.02953	14.1
89.02448	50.3
90.02826	9.2
93.03455	10.6
95.75465	6.6
96.96004	9.5
99.00888	15.4
101.02470	36.0
107.01403	8.9
112.10966	7.4
113.02425	16.8
117.22201	7.0
119.03497	19.2
123.00897	17.3
124.01667	31.1
125.02451	55.2
131.03526	10.1
137.02449	30.5
138.02782	13.1
139.03990	7.9
149.04642	15.1
151.00443	10.9
161.04572	8.5
165.01891	18.6
169.01442	50.2
170.01791	12.4
179.03395	11.7
179.05676	14.2
195.06667	23.9
229.01665	8.4
229.12367	25.2
247.02351	14.7
247.05821	8.3
257.95679	8.2
300.99979	18.5
301.99792	7.8
303.00333	10.8
304.00281	11.1
312.45779	7.7
313.05548	9.2
314.05972	16.3
321.18945	8.3
425.01224	19.0
452.07840	19.9
452.21817	9.7
453.00861	24.1
453.10648	65.9
453.19720	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	452.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02351	2.4
59.01382	20.8
61.98823	7.7
71.01398	14.7
79.52293	2.8
88.12158	3.2
89.02450	13.9
93.03522	3.7
95.42117	2.5
96.96020	37.0
101.02465	7.5
113.02460	5.7
117.12276	2.8
119.03491	5.9
123.00874	3.8
125.02464	15.9
129.73338	2.6
169.01395	8.5
179.05592	6.7
201.12865	5.1
214.10071	5.2
226.87459	3.0
229.12354	100.0
230.12657	7.0
247.02573	3.3
289.90698	3.0
357.32590	2.7
452.15848	4.8
452.25992	3.7
453.01169	2.8
453.09073	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	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32499	0.8
51.23357	0.7
56.87368	0.9
59.01385	30.8
60.01716	4.8
61.01804	6.0
61.98835	100.0
69.40598	4.3
71.01389	3.2
73.02956	1.0
83.01394	1.3
85.02950	2.0
89.02453	1.3
94.31462	0.8
98.22624	1.7
101.02463	2.0
107.01396	2.5
111.00873	1.8
113.02480	1.5
123.00909	4.5
124.01680	9.4
125.02459	13.6
137.02466	1.8
138.02747	1.6
139.00388	1.2
139.04027	6.2
140.86745	0.8
151.00386	3.0
161.04538	2.1
163.05080	1.4
169.01433	18.3
175.04008	1.0
214.00568	1.9
224.93755	0.9
229.17146	1.2
247.02570	2.4
275.01971	1.1
300.99948	2.5
313.05695	4.7
382.02649	1.0
392.22723	1.7
394.09018	1.3
452.13290	1.1
453.03998	1.3
453.10410	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	452.2787
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.54159	0.3
61.98813	0.5
62.48256	0.3
71.34685	0.3
78.95908	19.7
96.97002	0.4
98.53268	0.3
107.52596	0.3
114.76308	0.3
116.70957	0.3
122.00107	0.4
123.23530	0.3
134.98508	0.3
140.01204	5.0
152.99583	1.5
179.62056	0.3
196.03815	9.2
205.50710	0.3
214.04868	2.0
237.22339	0.2
255.23305	100.0
256.23660	6.6
341.25549	0.3
412.84622	0.3
452.27826	24.8
453.28027	2.5
458.95639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45407	0.7
59.01381	1.6
69.87312	2.2
70.87112	0.7
71.01398	1.0
79.01898	0.8
95.01418	4.0
101.02461	1.1
106.04249	1.8
106.97741	0.6
107.01399	2.0
113.02454	1.3
117.03525	0.9
123.00900	10.9
124.01694	8.5
125.02463	14.8
127.30179	0.7
139.00357	1.2
139.03970	1.8
140.01141	0.7
141.01860	0.9
145.02963	1.3
147.04497	2.5
151.00368	1.6
161.02498	1.7
163.03961	1.5
168.00616	1.4
169.01433	11.8
172.15138	0.6
173.02411	2.5
175.04027	2.3
183.02977	0.9
189.01918	3.7
190.02731	18.7
191.03482	7.4
201.01836	1.9
203.03503	3.0
217.01428	19.7
218.02228	17.3
219.02927	4.6
229.01390	3.0
231.02882	1.9
245.00926	1.6
245.99118	1.7
246.01711	62.5
247.02480	100.0
248.02852	6.4
249.03899	1.0
273.00232	1.3
274.00851	1.0
275.01935	5.5
276.02243	0.8
300.99893	10.4
302.00189	0.9
313.05753	1.9
362.02737	1.4
376.02475	1.3
376.52539	1.3
382.02347	1.6
390.02133	1.6
390.43286	0.6
390.52542	2.1
391.03052	8.9
391.53235	2.6
392.03641	0.9
409.07779	65.1
410.08084	6.1
452.25372	0.7
453.05707	27.6
454.06775	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	453.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71445	0.4
59.01476	0.3
60.91570	0.3
69.75219	1.2
71.01501	0.4
77.18893	0.3
89.85937	0.3
96.28162	0.3
102.86607	0.3
106.04377	0.3
107.01497	0.6
113.02567	0.4
119.05242	0.4
123.01051	1.5
124.01842	2.1
125.02635	3.4
135.04683	0.4
139.00536	0.4
139.04219	1.1
145.03093	0.4
147.04689	1.1
151.00548	0.5
163.04103	0.6
168.00815	0.4
169.01443	4.7
169.02745	0.3
173.02554	1.1
175.04079	0.8
189.02017	1.0
190.02721	4.1
191.03528	5.4
201.01988	0.5
203.03581	0.9
217.01443	4.3
218.02225	4.8
218.04141	0.4
219.02962	3.4
245.00815	0.5
246.01700	16.7
247.02489	100.0
248.02835	5.6
273.00470	1.5
275.01999	0.4
291.01453	0.8
300.99722	0.7
313.05499	1.2
373.47833	0.3
391.03186	0.3
409.07776	13.8
410.07523	1.3
453.06033	14.4
454.06387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01387	1.3
67.01889	1.3
69.03468	1.5
71.01385	3.2
71.82108	0.4
72.99279	0.8
73.02943	0.7
78.01126	0.6
78.95916	1.2
79.01918	0.8
81.03465	0.8
83.01402	1.4
85.02959	2.0
87.00891	1.1
88.97703	0.4
95.01406	3.7
96.96002	2.3
97.02960	1.4
101.02464	1.8
107.01415	7.6
109.02979	0.6
110.00162	0.5
110.98582	0.8
111.00907	3.2
111.01553	0.5
113.02477	1.0
114.54276	0.5
119.05051	0.5
121.03034	0.5
123.00903	20.0
124.01680	35.1
125.02467	42.0
126.02805	1.1
126.08899	0.4
127.00372	1.0
128.03545	1.0
136.98817	1.7
137.02594	0.5
138.03256	1.4
139.00395	3.5
139.04030	9.7
140.01190	2.9
141.01958	2.2
143.03526	0.4
145.02977	1.2
145.06250	0.6
147.04556	0.7
151.00392	8.3
151.04088	0.5
161.02512	0.8
163.04027	1.2
165.01961	0.5
166.99860	0.7
167.03517	1.2
168.00584	6.5
169.01442	43.7
170.01770	1.3
173.02504	0.9
175.03969	0.6
179.03484	0.8
181.05173	0.4
183.03012	5.5
189.01962	1.2
190.02791	1.9
191.03519	3.8
201.02060	0.8
202.76825	0.4
203.03552	1.2
211.02473	1.0
217.01431	2.9
218.02213	1.2
219.03052	1.6
225.04152	1.3
229.01375	2.3
243.09912	1.5
245.00996	2.8
246.01682	2.9
247.02498	21.2
247.05447	0.8
248.02937	1.4
265.06931	1.3
273.00455	6.6
274.00827	0.6
275.02060	2.9
285.06277	1.6
291.01474	3.5
297.06235	1.7
300.99982	3.0
313.05685	11.4
313.09225	0.8
314.06067	0.7
327.07251	2.2
333.02542	0.5
362.03296	0.4
376.02664	0.8
382.02374	0.6
390.02753	0.5
390.52695	1.0
391.02908	2.8
391.53476	1.1
409.07730	2.1
453.10550	100.0
454.10934	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	453.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01172	0.4
59.01386	4.3
61.01764	0.5
61.98835	5.3
65.25633	0.5
66.78957	0.5
67.01887	0.7
69.03483	0.9
69.36213	2.4
71.01395	3.3
73.02954	0.6
79.01881	1.5
82.00607	0.6
83.01402	0.9
85.02949	1.8
95.01413	1.5
95.05052	0.5
96.02196	0.6
97.02960	1.1
98.22601	1.1
101.02441	2.5
107.01398	9.6
107.02132	0.6
108.19157	0.5
109.02988	0.6
111.00900	1.6
113.02460	1.7
123.00896	14.0
124.01680	30.3
125.02463	51.8
126.02809	1.6
127.00389	0.7
134.53188	0.5
136.98819	0.5
137.02434	1.4
138.03224	0.5
139.00397	3.1
139.04021	30.5
140.01143	1.4
140.04405	0.7
141.01961	2.9
149.02464	0.9
149.69951	0.4
151.00385	9.3
152.00940	0.6
153.01970	0.6
163.04027	0.7
165.01956	0.5
168.00639	3.3
169.01440	61.3
170.01794	2.5
175.58969	0.5
178.46736	0.4
179.03563	0.6
183.02997	1.5
211.02489	1.3
223.02574	0.8
241.03615	0.8
247.02550	0.8
253.03491	1.0
275.01971	0.7
283.04459	1.1
300.99811	0.8
313.05679	19.0
314.06046	1.4
327.07135	1.1
394.09128	1.0
453.10416	100.0
454.10666	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	453.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83583	0.4
55.01885	0.5
59.01374	1.4
67.01898	0.6
69.03486	0.9
69.86988	0.4
70.08860	1.2
71.01389	2.9
73.02959	0.7
78.01107	0.5
79.01925	0.9
81.03468	0.5
82.00638	0.5
83.01419	0.5
85.02957	1.5
95.01402	2.0
97.02966	1.5
101.02462	1.9
107.01407	7.6
111.00866	1.8
113.02462	1.0
121.02941	0.5
123.00906	17.8
124.01683	38.7
125.02473	36.0
126.02764	0.9
136.98819	1.0
137.02473	0.6
138.03227	1.2
139.00418	2.8
139.04027	9.6
140.01216	2.4
141.01970	2.1
151.00400	7.9
153.01993	0.6
168.00656	6.3
169.01450	43.1
170.01830	1.7
171.96935	0.5
175.66483	0.5
179.03505	0.7
183.02989	4.3
211.02484	0.9
225.03973	0.5
241.03621	0.6
245.00876	0.6
247.02522	1.3
285.06006	0.7
297.06232	2.7
313.05643	7.6
314.06079	1.0
327.07315	1.8
389.39697	0.5
453.10443	100.0
454.10828	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	453.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63721	0.6
54.42447	0.6
55.01844	0.7
59.01377	1.1
67.01891	1.0
69.03487	1.0
69.19405	2.6
69.19799	1.3
71.01389	4.6
73.02943	1.0
73.46000	0.6
79.01914	1.3
81.03450	0.9
82.00596	1.0
83.01380	1.1
85.02956	2.6
95.01381	2.2
97.02957	2.2
98.21895	1.3
101.02457	2.6
107.01405	11.0
110.66285	0.6
111.00880	2.6
113.02473	2.3
123.00901	22.8
124.01681	61.4
125.02470	52.2
126.02785	1.5
127.00349	0.7
136.98848	1.7
137.02405	1.1
138.03226	2.6
139.00383	3.3
139.04036	13.3
140.01126	4.4
141.02003	3.5
151.00394	11.4
153.02002	1.1
166.99904	0.9
168.00677	8.7
169.01445	55.5
170.01779	1.9
179.03577	0.7
183.03012	8.3
210.01654	0.7
211.02367	1.1
223.02315	1.0
225.03996	1.8
241.03423	1.0
269.93433	0.7
285.06253	1.6
297.06393	3.8
312.05063	0.6
313.05676	9.5
327.07291	2.1
353.56433	0.6
354.27008	0.8
453.10440	100.0
454.10690	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	453.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.25600	0.6
61.91964	0.7
61.98842	2.1
67.81134	0.6
71.01382	4.2
72.99297	0.6
73.02938	0.7
80.59829	0.6
83.01433	0.7
85.02958	1.1
89.02439	4.6
95.01413	0.8
96.96027	1.9
99.00904	0.7
101.02455	8.4
107.01407	0.7
113.02454	2.8
119.03506	6.2
121.02945	1.2
123.00922	1.4
124.01733	1.5
125.02461	3.7
146.03828	1.2
159.04584	0.8
168.00706	0.7
169.01460	3.1
172.28387	0.6
174.03328	0.8
187.04076	0.9
188.01280	0.8
188.04890	2.6
190.02765	0.8
199.07700	0.8
200.04889	2.3
201.05684	1.2
202.06500	1.5
211.04546	0.8
214.06349	0.7
216.00627	8.8
216.04361	2.5
227.03493	1.5
227.07033	0.8
228.04311	0.9
229.05151	0.8
230.05946	1.6
231.06630	4.8
241.05028	1.1
243.06741	1.1
244.00259	1.9
245.01064	2.1
245.08066	0.6
251.27261	0.7
254.05998	1.3
256.03973	1.5
258.05276	4.6
269.08374	0.6
270.05316	1.0
271.06168	3.1
271.99637	4.3
273.00455	4.0
273.07715	14.9
273.10422	0.9
285.07593	3.8
290.00766	3.7
291.02032	0.7
297.07791	3.1
298.07855	0.7
300.99930	0.6
302.05606	1.3
303.09106	0.8
315.08737	1.4
361.77994	0.7
378.06128	0.8
393.08212	1.1
394.09177	1.4
435.05740	6.6
453.06406	9.7
454.07300	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03444	2.5
59.01375	2.3
61.98819	0.7
64.18250	0.4
71.01383	1.6
72.99311	2.6
73.02962	0.7
82.41213	0.5
83.01399	2.7
85.02934	0.6
89.02438	0.6
96.96017	2.1
97.06629	0.8
99.00893	30.1
101.02454	5.6
103.45482	0.5
107.01397	0.7
111.32655	0.6
111.40759	0.5
117.01960	12.9
123.00890	1.2
125.02470	4.4
133.02940	0.6
134.03766	15.9
135.04520	1.6
145.01451	100.0
146.01813	1.5
169.01437	3.2
177.01959	1.9
177.16840	0.4
178.02747	2.0
231.10283	0.6
275.09482	0.7
301.00186	0.5
301.06393	3.2
301.56683	1.0
306.71353	0.5
307.11871	5.9
308.12442	0.6
377.07013	2.6
453.22079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1904
Annotation	3'-O-Methyl-5'-hydroxydiplacone
Peak:m/z	Relative Intensity
59.01381	95.5
61.98848	18.1
69.34843	63.0
71.01393	20.6
86.91776	16.8
96.96025	26.7
98.21875	35.6
101.02471	30.7
106.38340	15.5
113.02484	25.2
125.02482	28.0
138.39757	15.7
161.83177	17.5
169.01448	29.6
203.39342	17.7
247.02405	19.2
255.06673	23.2
299.99274	18.0
300.99997	24.6
301.38025	13.8
347.89178	16.5
417.21191	28.5
453.18359	100.0
468.11523	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	453.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66725	14.5
59.01378	36.6
60.44592	13.7
61.98836	16.4
66.80391	13.4
69.22493	97.1
83.50766	14.0
101.22017	14.8
125.02457	33.7
133.24747	15.2
135.71539	16.5
299.99045	78.5
300.99664	27.6
453.00653	24.9
453.10538	29.4
453.22769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23388	7.1
59.01388	35.7
61.98837	17.0
62.12593	7.0
64.94860	6.7
65.66904	6.3
69.30992	25.4
71.01399	12.1
91.57042	6.9
93.03447	10.5
95.01405	8.0
96.96035	11.6
98.21843	14.1
99.00883	33.4
100.92431	6.3
101.02491	12.2
107.01369	7.3
111.00810	7.5
117.01953	13.4
120.99680	52.2
121.02940	8.4
123.00900	16.6
125.02465	74.9
126.02830	7.9
135.04543	9.6
137.02472	47.4
145.01442	100.0
159.04474	7.2
163.02634	9.0
169.01440	88.5
170.01691	9.9
217.01326	7.2
229.01517	8.5
247.02390	9.9
275.02087	15.5
300.99875	37.1
336.99802	6.7
376.04327	9.9
376.54605	25.9
377.04785	10.9
453.22684	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2266
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
50.66725	14.5
59.01378	36.6
60.44592	13.7
61.98836	16.4
66.80391	13.4
69.22493	97.1
83.50766	14.0
101.22017	14.8
125.02457	33.7
133.24747	15.2
135.71539	16.5
299.99045	78.5
300.99664	27.6
453.00653	24.9
453.10538	29.4
453.22769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3013
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
62.90678	0.3
70.93206	0.5
71.19713	0.3
107.19016	0.3
146.28040	0.3
147.70447	0.3
177.70665	0.3
189.74484	0.4
204.26450	0.4
221.06352	0.3
316.96204	0.4
363.45218	0.4
372.27682	0.4
391.26306	0.5
407.29465	0.9
453.30084	100.0
454.30469	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
50.41819	6.3
53.20520	6.6
59.01381	100.0
61.98826	20.8
71.01376	16.7
73.02953	14.7
89.02457	16.7
96.96011	28.4
98.22749	13.7
101.02438	20.6
108.02190	46.7
109.03024	14.6
113.02462	17.0
123.00799	7.5
125.02431	9.9
135.04488	15.7
152.01141	18.8
153.02039	7.2
169.01378	15.6
179.03485	7.4
229.01593	9.3
274.29758	7.4
281.60934	6.9
300.99939	15.9
349.26929	7.6
390.52737	7.0
454.62469	7.9
455.15579	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	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
73.72359	0.8
83.56548	0.9
98.21799	1.5
106.10979	1.0
108.53656	0.9
117.14272	0.8
171.10251	3.6
177.04387	0.8
209.11864	1.8
242.55014	0.8
294.16885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05508	1.1
59.86238	1.2
61.98836	100.0
70.42944	1.9
74.05118	1.0
75.73878	1.1
80.60558	1.2
83.69176	1.1
115.11594	1.1
176.51210	1.1
180.45737	1.1
193.88942	1.1
315.15237	1.2
338.84631	1.2
354.61478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44274	1.0
57.03419	1.2
59.01365	4.1
65.43935	1.0
67.01885	1.2
68.41698	1.0
71.01385	7.7
78.95907	1.5
80.91673	1.8
81.03448	2.1
83.01360	2.1
85.02932	3.1
87.00863	1.3
89.02384	1.7
95.01370	2.7
96.95997	2.8
96.96954	1.4
97.02940	2.6
99.00854	1.1
101.02426	3.4
107.00857	1.1
107.01398	12.6
111.00876	1.3
113.02443	4.7
123.00883	17.7
124.01678	7.8
125.02461	84.2
126.02777	3.7
127.00439	1.3
130.04582	1.2
139.00325	2.1
139.04004	1.3
140.01176	1.6
141.01967	7.9
145.01480	1.1
151.00375	8.8
153.01970	1.8
161.02348	1.7
168.00592	4.3
169.01436	99.3
170.01823	5.2
177.01797	1.6
193.45444	1.1
207.02939	1.1
211.02477	2.0
217.01001	1.4
229.01231	1.2
241.03604	2.4
247.02458	1.1
249.07730	1.3
253.03572	1.5
271.04535	3.2
275.01978	1.0
293.06778	1.2
300.99811	3.9
311.01721	1.4
313.02072	1.8
313.05661	36.2
314.05936	2.5
339.01288	1.3
373.11310	7.5
455.08160	100.0
456.08414	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	455.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44994	0.5
53.23732	0.4
59.01387	10.1
62.85756	0.5
66.59535	0.4
69.14456	2.4
71.01392	3.4
72.99297	1.0
73.02941	1.1
73.21169	0.4
78.33168	0.5
79.95747	26.0
80.96529	6.8
83.01395	0.8
85.02968	1.3
87.00874	1.5
89.02472	0.7
94.15080	0.5
96.96021	100.0
98.89120	0.5
101.02439	2.1
108.06426	0.5
111.00888	1.0
113.02492	1.1
119.03505	0.5
122.97613	0.5
125.02472	1.3
129.01894	0.5
137.96342	1.5
138.97079	4.2
150.97089	1.4
156.88167	0.4
161.04498	0.7
166.84547	0.5
180.98026	0.5
192.08789	0.5
193.47884	0.5
222.99174	0.7
238.98727	0.7
241.00224	3.5
256.99896	1.1
280.99771	1.0
283.01312	4.7
286.26581	0.5
299.00781	2.1
351.11288	1.5
369.12244	16.4
370.12939	0.9
411.13324	74.7
412.13571	6.9
437.11453	0.6
455.12350	16.0
456.12622	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	455.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.0
57.03455	25.3
59.01387	26.7
67.01917	4.4
67.11641	3.1
69.65845	11.3
71.01389	94.9
72.99301	3.4
73.02963	16.1
75.00886	9.6
76.66209	2.8
82.07808	3.1
83.01389	24.9
85.02946	22.2
87.00873	6.0
89.02464	9.6
99.00887	100.0
101.02443	15.3
111.00900	38.3
111.91003	2.7
112.98808	5.7
113.02478	8.4
115.00394	6.6
119.03476	3.8
129.01956	53.0
142.99924	3.3
145.01498	5.1
161.04587	16.3
173.00943	9.9
183.99298	7.7
233.03496	2.9
273.79074	4.0
280.57855	2.8
281.12448	48.3
395.08899	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	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03444	0.6
59.01386	5.6
61.98837	2.1
67.01888	1.0
69.03446	0.9
69.24899	2.2
71.01380	5.0
72.99298	0.6
73.02933	1.1
75.00878	0.7
78.01093	0.5
79.01893	1.9
81.03457	0.8
82.00601	0.5
83.01395	1.3
85.02966	2.5
87.00890	0.7
89.02444	1.8
89.34766	0.3
93.03455	0.4
95.01399	2.7
95.53153	0.4
96.73685	0.3
96.96008	2.3
97.02953	1.6
99.00872	0.8
101.02459	3.9
106.00567	0.5
107.01399	5.0
111.00892	2.8
113.02475	2.1
113.94550	0.3
116.92878	0.4
119.03528	0.4
123.00898	21.5
123.08208	0.5
124.01689	11.3
125.02461	23.1
126.02806	0.6
127.00401	0.9
134.24229	0.4
135.04469	0.5
136.98820	1.5
137.02441	1.2
139.00395	3.9
140.01170	3.7
141.01952	4.1
150.80132	0.4
151.00385	13.5
152.00792	0.4
153.01945	0.6
153.05624	0.5
154.99838	0.5
156.77049	0.4
159.02994	0.4
163.03989	0.4
166.99951	0.4
168.00673	5.0
169.01440	26.2
170.01801	1.2
177.04070	2.1
179.03497	0.4
181.05122	0.6
211.02510	2.2
242.58603	0.4
253.03610	0.4
271.04745	1.6
287.68539	0.5
300.99963	0.4
309.31485	0.4
313.05786	1.3
326.56995	0.4
359.97763	0.4
366.49820	0.4
455.15616	100.0
456.15982	11.8
470.56754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75284	0.4
59.01384	100.0
60.01710	0.7
61.98850	0.9
68.99773	0.4
71.01382	2.8
78.95930	1.0
79.61088	0.4
82.57909	0.4
83.01424	0.8
83.88728	0.4
85.02976	0.7
88.29911	0.4
89.02443	3.1
89.39824	0.4
95.01404	0.7
96.96017	0.9
101.02449	7.6
101.03104	0.5
113.02485	1.2
119.03524	6.2
123.00949	0.6
125.02517	0.8
141.01665	0.5
169.01485	0.9
193.01488	0.7
196.12070	0.5
209.11829	1.0
210.21179	0.4
218.05960	0.5
232.07532	0.5
233.08250	0.6
237.95560	0.4
238.82988	0.5
245.08325	0.8
256.07507	0.6
258.05374	1.0
260.06958	1.1
273.07837	1.4
275.09256	6.4
281.08377	0.9
287.09445	1.3
299.09290	2.7
305.10580	0.4
317.10507	1.3
358.81790	0.4
367.04675	1.4
411.03653	1.0
455.02728	1.6
455.10355	0.8
455.15866	2.4
460.92108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75284	0.4
59.01384	100.0
60.01710	0.7
61.98850	0.9
68.99773	0.4
71.01382	2.8
78.95930	1.0
79.61088	0.4
82.57909	0.4
83.01424	0.8
83.88728	0.4
85.02976	0.7
88.29911	0.4
89.02443	3.1
89.39824	0.4
95.01404	0.7
96.96017	0.9
101.02449	7.6
101.03104	0.5
113.02485	1.2
119.03524	6.2
123.00949	0.6
125.02517	0.8
141.01665	0.5
169.01485	0.9
193.01488	0.7
196.12070	0.5
209.11829	1.0
210.21179	0.4
218.05960	0.5
232.07532	0.5
233.08250	0.6
237.95560	0.4
238.82988	0.5
245.08325	0.8
256.07507	0.6
258.05374	1.0
260.06958	1.1
273.07837	1.4
275.09256	6.4
281.08377	0.9
287.09445	1.3
299.09290	2.7
305.10580	0.4
317.10507	1.3
358.81790	0.4
367.04675	1.4
411.03653	1.0
455.02728	1.6
455.10355	0.8
455.15866	2.4
460.92108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.169
Annotation	Kushenol G
Peak:m/z	Relative Intensity
53.30697	0.5
59.01387	4.2
69.47941	2.6
69.51904	0.5
71.01359	0.8
73.34074	0.5
78.95913	30.3
80.02680	2.6
81.03452	3.1
82.17152	0.5
83.01366	0.6
83.05028	8.0
84.02171	2.2
90.34230	0.5
90.55808	0.7
91.19872	0.6
95.05033	1.3
96.96971	2.3
101.02445	0.5
102.92664	0.6
106.04279	0.5
107.05003	0.5
108.65364	0.5
109.06622	0.8
113.02486	0.9
118.95255	0.5
125.02457	1.9
125.06142	0.9
134.98482	0.6
135.04544	11.9
135.08138	1.3
147.11708	0.7
152.99605	42.1
154.00008	0.9
155.17209	0.5
163.11327	7.7
165.12888	4.8
169.01508	1.4
171.00688	3.7
171.82011	0.6
179.03497	2.4
181.12349	0.9
191.10851	1.6
209.11859	100.0
210.12183	5.8
227.03310	4.4
227.12907	13.0
228.13292	1.5
245.04411	1.8
269.12564	0.5
302.00137	0.6
341.08737	1.9
363.12198	2.1
381.13422	1.2
455.16928	75.4
456.17117	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	455.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41731	0.5
53.90063	0.5
59.01377	0.6
76.25009	0.5
95.13117	0.5
105.87170	0.5
106.51463	0.6
113.47387	0.5
121.75195	0.4
374.65540	0.5
394.59061	0.5
455.31686	100.0
456.32034	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	455.3171
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
61.98864	0.5
64.23278	0.5
66.14359	0.5
70.76521	0.5
71.42176	0.7
84.36806	0.5
86.36473	0.5
112.37947	0.5
217.42987	0.5
223.77762	0.5
226.74648	0.5
346.68134	0.5
407.29492	0.6
455.31711	100.0
456.32077	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20819	0.4
56.29423	0.4
56.88493	0.4
65.60754	0.4
66.54655	0.3
71.34766	0.5
71.52702	0.3
85.55984	0.3
149.28412	0.4
209.06058	0.3
325.15121	0.3
455.35333	100.0
456.35635	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	455.3533
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
69.99063	0.8
86.64432	0.3
98.22562	0.7
104.99466	0.4
143.71098	0.3
407.33319	0.8
455.35339	100.0
456.35687	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	456.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.0
69.03479	1.2
69.38678	1.0
71.01382	11.1
73.02938	3.6
79.01892	2.1
83.01393	2.2
85.02963	6.9
89.02475	1.7
95.01406	4.7
96.83131	0.9
96.95989	1.8
97.02966	2.9
98.22602	2.7
99.00889	1.8
101.02449	5.6
106.00523	1.1
107.01412	7.5
107.16498	1.0
109.02964	6.2
111.00883	3.1
113.02444	4.2
115.00372	2.7
116.92863	5.0
116.93664	0.9
117.92869	4.3
118.65282	1.0
123.00900	33.4
124.01685	17.3
125.02465	38.5
133.01428	1.6
135.04530	3.4
135.90172	0.9
136.98817	2.1
139.00418	4.6
140.01144	3.7
141.01941	4.8
145.01508	1.6
145.02966	2.3
146.03679	1.0
147.04556	1.5
151.00377	20.4
153.01973	1.7
160.01649	1.6
161.02373	2.3
161.06128	1.7
168.00653	7.3
169.01439	46.6
175.04024	3.3
179.03523	2.7
211.02495	2.3
223.02644	1.3
271.04642	1.7
281.04553	2.8
297.07660	2.7
301.00049	1.4
313.05719	2.4
340.93030	0.9
341.06671	7.0
420.09341	1.5
456.07062	100.0
457.07773	7.8
457.17325	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64580	1.8
59.01385	100.0
61.98819	3.1
62.36875	1.9
69.13628	9.3
71.01387	9.9
73.02953	7.9
83.01405	1.8
85.02957	3.8
89.02462	5.2
91.49401	1.8
95.01401	3.2
99.00883	2.5
101.02465	9.2
113.02472	7.9
119.03493	1.8
123.00870	3.1
125.02483	4.0
143.03548	1.8
145.01360	4.4
147.04585	2.1
161.04637	2.5
169.01393	3.7
231.10368	2.7
275.01923	2.1
300.99997	3.3
412.76636	1.9
457.16779	2.6
457.25928	3.8
459.23444	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	457.0785
Annotation	Gallocatechin 3'-O-gallate
Peak:m/z	Relative Intensity
57.03457	3.7
58.91635	0.5
59.01382	2.5
69.56570	2.6
71.01372	0.9
75.88335	0.5
81.03463	2.1
82.95422	1.1
83.01399	3.5
87.87749	0.6
89.02419	0.7
93.03465	1.6
95.01406	1.8
95.05043	2.0
97.02949	3.1
101.02484	0.7
104.27660	0.6
107.01424	0.6
107.05090	0.7
107.15879	0.7
109.02967	8.7
111.00837	0.6
111.04536	5.9
114.11529	0.6
118.05125	0.8
121.02998	1.7
123.00906	5.7
123.04535	1.1
124.01688	3.6
125.02467	60.1
126.02811	1.4
133.06598	0.7
135.04550	2.1
137.02463	22.9
138.02927	0.7
139.04039	15.5
140.04454	0.6
145.02904	0.9
147.33476	0.6
149.02422	0.8
149.06046	1.5
150.91136	0.7
151.00414	1.0
151.04022	2.4
153.01979	1.5
159.04610	0.9
160.30333	0.8
161.02473	3.3
162.03142	0.9
164.01180	5.7
165.01959	14.9
166.02557	0.9
167.03523	17.5
168.00613	0.7
169.01453	5.1
173.06104	0.7
175.04015	2.4
177.01952	1.1
177.05551	3.0
178.02621	0.7
179.03514	13.0
181.05154	0.6
189.05621	0.6
191.03555	0.8
191.07152	1.8
201.05630	0.8
203.03490	2.9
204.04298	3.0
211.02556	1.0
219.06647	11.3
221.04529	5.6
237.07739	1.0
243.06700	1.2
247.02417	0.6
261.07596	3.8
271.04620	1.9
299.98956	0.7
300.99802	0.8
305.06720	100.0
306.07043	7.7
319.04660	1.9
341.03198	1.1
457.07898	6.9
457.13638	6.4
458.08179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61712	0.7
59.01289	5.7
67.33084	0.9
69.06387	1.5
69.06792	4.5
71.01284	15.1
71.01725	2.6
72.99226	0.9
73.02878	1.2
81.03378	0.8
83.01318	1.0
85.02865	1.7
89.02359	1.4
93.03342	0.9
95.01295	1.7
96.96001	7.0
99.00780	3.1
101.02362	1.8
107.01305	1.6
109.02965	63.0
110.03163	2.6
110.03916	0.6
111.00829	1.0
113.02374	1.6
114.79556	0.8
115.00385	16.3
116.92774	1.0
118.92603	1.1
123.00905	5.8
124.01671	4.3
125.02473	7.8
132.02092	2.1
133.01479	5.1
133.02879	1.3
134.03641	3.2
135.04547	22.0
136.04779	1.0
137.02325	1.1
139.00302	1.5
141.01891	1.2
145.01334	8.5
145.02841	30.4
146.03545	2.5
147.04387	2.5
148.39648	0.7
151.00235	2.8
151.03912	3.1
153.01900	0.7
159.04536	4.8
160.01685	9.2
161.02457	11.9
161.06093	18.7
162.06273	0.9
163.02434	1.0
168.00475	2.0
169.01454	9.5
174.03122	1.1
175.04016	13.7
179.03526	19.3
180.03813	1.3
187.04027	6.6
193.04962	3.3
205.04976	3.0
211.02295	1.8
211.04051	1.2
217.08636	0.8
225.05475	1.3
231.03011	1.6
237.05522	2.0
238.06396	0.9
239.03416	3.0
240.04196	3.4
253.05125	6.7
253.07758	0.9
253.08546	0.7
254.05708	1.2
255.06628	11.6
257.98401	0.8
260.03540	1.0
271.04617	1.8
279.03085	1.0
279.06567	1.8
280.03854	1.4
281.01627	1.3
281.04584	22.9
282.04980	2.3
295.06036	3.2
297.07709	26.6
298.07938	2.4
299.05469	2.1
300.99911	1.5
323.05524	2.6
341.06671	100.0
342.07028	8.4
353.26724	0.8
422.23810	1.0
457.17395	38.4
458.17816	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	457.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
56.59793	0.7
57.03453	1.5
59.01082	1.5
59.01385	28.2
68.06884	0.6
69.03453	1.1
69.05154	4.7
71.01379	5.1
72.99313	4.0
73.02948	2.8
83.01396	2.8
85.02973	1.6
87.00914	0.7
89.02465	2.7
97.02946	0.9
99.00892	24.2
99.04485	0.6
101.02456	7.8
108.02168	0.8
109.02974	1.1
113.02470	1.9
115.05208	0.7
117.01955	9.5
117.23272	0.6
119.03456	0.6
123.00906	2.2
124.01678	1.9
125.02470	2.8
130.08745	1.4
135.04535	0.8
140.01195	0.9
141.99463	0.7
145.01445	100.0
146.01765	1.7
146.03772	1.6
147.04591	0.9
148.05283	0.7
151.00385	1.4
154.95970	0.6
158.03757	1.1
159.04530	1.9
161.04582	1.3
163.02533	5.6
163.03748	1.1
169.01450	3.0
172.05319	8.4
173.06079	8.7
174.06892	5.4
175.07658	2.4
187.04083	2.3
187.07657	68.1
188.08012	3.2
200.04663	0.9
201.05589	6.7
201.09235	0.7
202.06364	20.9
202.09993	2.5
203.06897	1.5
203.10747	3.7
213.09322	1.4
215.07130	1.1
216.07954	2.2
231.10281	71.1
232.10619	5.0
257.08261	0.9
259.27621	0.8
275.09271	10.3
397.22287	0.8
403.10324	1.4
413.24060	2.6
421.11295	1.8
457.17111	11.7
458.17456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
56.59793	0.7
57.03453	1.5
59.01082	1.5
59.01385	28.2
68.06884	0.6
69.03453	1.1
69.05154	4.7
71.01379	5.1
72.99313	4.0
73.02948	2.8
83.01396	2.8
85.02973	1.6
87.00914	0.7
89.02465	2.7
97.02946	0.9
99.00892	24.2
99.04485	0.6
101.02456	7.8
108.02168	0.8
109.02974	1.1
113.02470	1.9
115.05208	0.7
117.01955	9.5
117.23272	0.6
119.03456	0.6
123.00906	2.2
124.01678	1.9
125.02470	2.8
130.08745	1.4
135.04535	0.8
140.01195	0.9
141.99463	0.7
145.01445	100.0
146.01765	1.7
146.03772	1.6
147.04591	0.9
148.05283	0.7
151.00385	1.4
154.95970	0.6
158.03757	1.1
159.04530	1.9
161.04582	1.3
163.02533	5.6
163.03748	1.1
169.01450	3.0
172.05319	8.4
173.06079	8.7
174.06892	5.4
175.07658	2.4
187.04083	2.3
187.07657	68.1
188.08012	3.2
200.04663	0.9
201.05589	6.7
201.09235	0.7
202.06364	20.9
202.09993	2.5
203.06897	1.5
203.10747	3.7
213.09322	1.4
215.07130	1.1
216.07954	2.2
231.10281	71.1
232.10619	5.0
257.08261	0.9
259.27621	0.8
275.09271	10.3
397.22287	0.8
403.10324	1.4
413.24060	2.6
421.11295	1.8
457.17111	11.7
458.17456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
59.01386	4.2
67.01889	0.9
68.99825	0.5
69.03460	0.4
71.01391	3.5
71.43057	0.5
73.02950	1.5
78.01126	0.4
79.01898	1.2
81.03447	0.6
83.01396	1.4
85.02971	2.0
87.00910	0.7
88.20290	0.4
89.02461	1.6
95.01423	2.8
96.96018	3.8
97.02955	1.4
99.00935	0.6
101.02465	2.8
103.39985	0.4
107.01399	5.0
109.02958	0.5
110.00157	0.8
111.00887	2.5
113.02462	1.2
122.99998	0.9
123.00903	18.2
124.01694	10.8
125.02467	19.4
126.02811	1.0
127.00365	0.6
136.98807	1.2
137.02411	0.7
139.00389	4.0
140.01198	3.0
141.01964	3.3
141.71449	0.4
151.00391	11.3
152.00853	0.6
152.72714	0.4
153.01979	1.0
166.99925	0.7
168.00688	4.8
169.01439	25.8
170.01791	0.9
175.03983	1.0
177.04060	1.8
190.11090	0.4
193.05177	0.5
211.02475	2.8
251.88829	0.4
260.03604	0.7
271.04669	2.1
313.05728	1.1
329.05225	0.8
457.17242	100.0
458.06851	1.1
458.17575	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	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03458	1.2
58.00607	1.0
59.01384	73.9
60.39165	0.9
69.22025	4.4
71.01390	31.5
72.99300	1.0
73.02950	1.1
83.01399	2.3
85.02948	6.9
89.02454	33.1
95.01401	2.7
101.02456	20.1
109.02972	1.7
111.04520	2.4
113.02457	10.9
119.03529	16.1
121.06613	1.8
123.08196	4.1
124.01598	1.4
125.02426	4.1
126.87231	0.8
129.07141	1.2
130.86917	0.9
131.03494	0.9
135.04539	1.2
139.04039	2.5
143.03467	1.2
149.04556	0.9
161.04611	1.7
169.01434	2.4
171.11836	4.7
179.03423	0.9
179.05623	2.8
189.12886	9.9
215.10704	2.2
233.11913	2.4
277.00443	1.2
277.10876	8.8
300.99905	0.9
305.06714	1.4
312.99222	0.8
325.04453	1.0
341.03119	1.1
348.75998	0.9
397.02390	2.8
457.17209	100.0
458.17542	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	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99751	0.8
55.01880	1.6
56.82919	0.8
57.03447	1.4
59.01385	67.3
68.46745	0.7
69.65527	2.5
71.01389	29.2
72.99311	1.3
73.02953	1.5
83.01390	2.6
85.02950	6.1
89.02455	31.5
95.01411	1.2
95.05094	0.9
99.04501	1.0
101.01794	1.5
101.02452	18.9
107.05035	1.4
111.04524	1.4
113.02475	10.3
115.00352	1.8
119.03530	13.5
121.06597	1.4
123.08191	3.6
124.01655	1.2
125.02451	1.4
129.07159	0.9
130.77209	0.9
131.03531	1.0
133.01463	4.0
135.04553	15.1
143.03481	1.6
151.04050	1.7
169.01488	1.4
171.11829	4.4
179.03516	15.5
179.05582	2.9
189.12888	8.5
215.10851	1.1
222.85570	0.8
233.11856	2.5
277.10812	8.0
341.08804	11.6
457.17188	100.0
458.17456	11.1
477.18747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91077	1.2
54.47475	1.0
55.01878	4.4
57.03454	2.0
59.01383	100.0
60.01712	1.8
60.99295	1.1
68.99797	1.3
69.26765	7.1
71.01385	46.7
72.99295	3.5
73.02948	3.0
76.87387	1.4
83.01379	4.1
83.05020	1.3
85.02960	10.2
85.37253	1.4
87.00907	2.3
89.02451	52.0
92.60519	1.1
93.03465	1.5
95.01399	2.6
95.05035	4.9
96.19481	1.1
96.96005	1.9
97.02961	1.7
97.06540	1.6
98.22713	2.3
99.00851	1.5
99.04522	1.7
101.02458	31.6
105.48792	1.2
107.01381	1.8
107.05034	1.6
109.02929	2.8
113.02455	16.1
113.06089	1.4
115.00380	11.2
119.03532	27.2
119.05024	28.2
120.05365	1.1
121.02905	1.2
121.06593	3.5
123.00878	5.6
123.04526	6.1
123.08170	12.5
124.01673	1.7
125.02458	14.2
131.03491	2.5
133.01451	22.3
133.02954	2.3
133.05061	4.3
135.04543	27.2
137.06097	2.6
143.03493	4.3
145.01440	1.4
149.04626	1.4
151.00351	4.3
151.04015	15.2
153.01961	14.5
161.02464	9.5
161.04541	4.3
162.02849	1.1
163.04008	13.5
169.01466	11.5
171.11783	3.3
175.03984	1.2
175.07668	1.8
179.03513	21.6
179.05603	4.8
181.05014	1.8
189.12885	5.7
201.02048	1.3
211.02580	1.7
215.10835	1.3
215.29297	1.3
221.17825	1.2
229.01283	1.3
233.11711	1.5
249.04036	2.2
251.12787	1.6
253.08717	1.5
274.01340	1.5
275.01941	3.2
277.10849	19.6
279.03064	1.4
295.08261	1.5
295.11716	3.1
299.99100	1.8
300.99875	6.6
303.05133	13.0
341.02884	2.1
341.08859	14.5
369.02560	1.3
413.01514	9.4
457.17581	78.8
458.17902	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	457.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74692	0.6
57.26505	0.5
59.01387	100.0
60.01714	0.8
61.98843	1.3
71.01395	4.7
71.41864	0.6
73.02948	0.8
74.33603	0.5
80.69286	0.6
82.81432	0.5
83.01398	1.1
85.02975	1.2
89.02457	4.6
95.01437	0.9
96.76391	0.6
99.00889	0.7
101.02457	8.4
101.56488	0.6
113.02484	1.7
119.03528	5.9
123.00927	2.8
124.01694	1.6
125.01650	0.5
125.02425	3.2
128.12411	0.6
137.02472	1.0
140.01227	0.7
151.00412	1.9
153.05711	0.6
160.57037	0.6
168.00807	0.7
169.01488	2.5
192.08005	0.9
202.24568	0.6
235.09967	0.6
247.09778	1.7
260.07028	1.9
262.08536	0.7
275.09222	2.9
277.10852	6.8
289.11038	1.1
291.12378	1.1
301.11053	1.3
319.11923	4.0
320.12350	0.6
391.42383	0.6
397.14767	1.0
457.17242	10.7
457.24039	0.7
457.26495	1.0
458.17593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01392	19.1
85.02959	4.5
89.02462	18.5
95.01387	7.3
101.02461	10.1
107.01404	8.9
113.02454	14.1
123.00888	13.7
124.01677	12.8
125.02478	33.5
131.60324	4.7
139.04080	4.5
153.09178	7.1
168.00636	12.9
169.01402	39.6
179.05576	5.6
211.02510	47.5
217.00381	6.4
232.68486	4.0
271.04654	85.1
325.05417	10.1
331.06693	10.7
340.07642	7.5
355.10165	24.3
374.98935	5.7
457.00510	7.1
457.17392	18.7
457.25891	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	457.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64193	0.8
70.64527	1.2
99.92583	6.8
100.93373	47.3
101.93397	2.2
115.92089	100.0
116.92087	4.5
116.92879	7.6
132.92397	1.0
172.95491	9.3
173.95485	0.8
383.19092	0.9
409.20407	1.9
457.22806	5.3
458.22943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75490	0.3
54.29744	0.3
55.01889	0.4
56.99821	0.3
57.03445	0.7
59.01384	100.0
60.01736	1.1
69.03472	0.5
70.24757	0.4
70.25099	0.5
71.01389	9.1
72.99301	0.3
73.02956	4.8
74.20552	0.3
83.01382	1.6
85.02966	2.8
87.00887	0.3
89.02448	4.9
89.02953	0.4
92.34661	0.3
95.01402	1.1
97.02987	0.3
98.22592	0.3
99.00899	0.9
101.02442	5.4
101.02998	0.4
108.17133	0.3
113.02459	6.9
119.03522	1.8
121.78500	0.3
123.00914	0.6
124.01668	0.4
125.02470	0.6
131.03494	0.4
143.03548	0.7
145.01443	1.9
161.04572	1.8
169.01482	0.8
179.05653	0.6
180.09373	0.3
187.07716	0.8
231.10318	0.9
233.12112	0.4
303.14438	0.3
342.76801	0.3
375.24194	0.3
397.22351	0.5
413.24219	0.6
415.23657	0.9
457.16971	1.7
457.23398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01384	100.0
60.01723	0.9
71.01389	14.7
71.05474	0.6
72.99313	0.6
73.02950	10.9
83.00957	0.6
83.01383	2.7
85.02955	4.3
87.00912	0.6
89.02450	6.0
95.01412	1.4
99.00895	0.7
101.02455	8.7
111.00961	0.4
113.02458	12.7
113.71046	0.3
119.03526	2.0
125.02470	1.0
131.03543	0.8
133.02983	0.8
143.03584	1.0
149.04547	0.4
155.10829	1.5
161.04576	3.3
169.01434	0.8
179.05696	1.0
199.09813	1.8
241.10777	0.5
265.64426	0.4
301.00064	0.6
301.12979	0.5
326.92017	0.4
380.55899	0.6
393.67203	0.4
397.22498	1.5
415.23645	1.1
457.11615	0.4
457.26218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86034	0.4
59.01385	100.0
60.01721	1.1
69.09447	2.6
69.09860	1.1
71.01387	11.1
73.02954	4.5
75.00883	0.5
76.32386	0.5
76.79473	0.4
81.82549	0.5
83.01411	1.7
85.02959	3.8
87.00904	0.6
89.02450	6.3
95.01408	0.9
98.22620	1.3
99.00909	1.2
101.02459	6.7
113.02468	7.0
119.03503	2.4
125.02466	1.1
135.04575	1.1
143.03558	0.9
161.04570	2.7
169.01624	0.6
179.03554	0.8
191.05119	0.5
222.72047	0.5
253.83794	0.6
345.19308	1.4
397.22629	1.5
415.23355	3.4
421.20831	0.7
457.18604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2964
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
52.44151	0.4
53.65045	0.3
55.75948	0.3
56.31147	0.3
57.03444	2.8
59.01387	7.5
74.58706	0.3
74.75230	0.3
80.46446	0.4
83.34290	0.3
86.89843	0.4
98.01822	0.4
98.22694	0.8
192.19846	0.3
216.37080	0.4
383.22479	0.8
395.29642	0.4
397.27496	26.2
398.27765	3.3
413.30649	16.0
413.36237	0.7
414.30923	2.4
439.28598	6.7
440.28720	0.7
453.64944	0.4
457.29645	100.0
458.29987	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	457.3325
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
57.03450	2.2
59.01389	1.5
65.11382	0.6
69.03470	1.1
69.35933	0.5
69.86281	0.4
74.25662	0.5
114.01377	0.4
126.81049	0.5
397.27493	3.7
397.32034	0.6
413.30115	1.1
413.35089	3.2
439.28656	0.7
457.33521	100.0
458.33893	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	457.333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
58.00593	1.2
59.01380	0.7
61.98833	0.5
64.82482	0.5
69.05688	1.9
69.06105	1.3
71.05035	0.6
73.02956	0.5
97.06586	1.9
111.08150	2.5
153.09235	0.6
177.84000	0.4
189.12856	8.4
189.78571	0.4
191.14430	17.4
192.14764	1.3
213.27028	0.5
229.15977	0.6
265.18060	3.4
345.24469	0.6
391.26447	0.7
421.31244	1.2
422.28055	0.5
423.28683	0.5
437.30640	1.2
439.32217	10.6
440.32486	1.2
455.31818	0.6
457.33261	100.0
458.33655	15.1
458.38608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
59.01382	87.0
59.92482	3.0
69.03467	3.8
69.33142	6.3
69.33557	11.9
71.01389	58.1
72.99297	3.6
73.02946	17.8
79.01910	6.6
85.02990	9.3
89.02451	71.1
95.01407	9.1
96.96009	5.8
97.02945	8.8
99.00891	19.0
101.02457	30.6
107.01401	23.0
109.02969	7.2
110.03310	3.5
111.04520	4.8
113.02452	39.5
115.00379	4.8
119.03492	4.1
123.00897	70.1
124.01692	25.0
125.02469	70.4
127.04031	24.0
127.16587	3.8
131.03499	8.3
133.01462	5.8
135.04530	6.4
137.02524	4.0
139.00400	7.5
141.01953	10.8
145.02948	5.2
145.05101	6.7
149.04556	48.5
150.48283	4.2
151.00381	33.6
160.01662	8.1
161.02136	5.5
168.00684	7.2
169.01430	89.0
169.16348	3.9
170.01801	5.3
175.04012	12.4
176.04324	8.9
179.05650	3.3
191.05681	10.1
211.02502	16.4
251.07784	5.4
255.06497	3.7
256.06964	6.9
297.07651	4.7
298.08047	16.4
313.05695	12.3
341.06570	4.5
342.06921	6.5
415.16309	27.6
458.06985	89.2
458.17343	60.9
459.11670	100.0
459.17694	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	458.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
56.13391	0.2
57.03453	0.6
57.09904	0.1
59.01384	100.0
60.01723	0.8
64.76072	0.2
67.26311	0.1
67.59494	0.1
69.03480	0.2
69.40382	0.4
69.40782	0.5
71.01390	7.3
73.02953	2.2
83.01399	1.0
85.02959	3.5
87.00900	0.4
87.04507	0.9
89.02447	2.5
95.01414	0.8
97.02950	0.2
99.00868	1.0
101.02461	3.7
101.03111	0.3
113.02455	6.4
119.03547	0.7
121.04655	0.2
124.01642	0.2
125.02489	0.4
131.03491	0.3
143.03552	0.4
159.03072	0.3
161.04572	2.3
169.01445	0.5
179.05672	0.2
187.07693	0.2
202.06308	0.2
211.02510	0.4
255.19806	0.4
287.37671	0.2
399.23883	5.0
417.25070	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48816	13.6
53.24968	13.4
59.01392	100.0
61.98833	18.4
64.63348	11.9
71.01377	25.8
87.00862	15.3
89.02463	38.2
95.01460	13.9
98.22691	32.6
101.02468	21.3
111.11028	11.7
115.32101	13.5
123.00809	15.7
125.02438	25.5
145.01454	39.7
169.01424	29.4
177.01993	19.3
183.61635	14.8
187.07674	24.2
195.37856	14.1
202.06267	15.5
231.10243	25.2
283.32507	16.1
307.11789	13.4
316.50980	14.7
415.23053	15.9
458.17667	29.6
459.18460	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74384	0.6
59.01383	100.0
60.01702	1.1
66.18980	0.7
97.69642	0.6
98.21896	1.9
114.98849	0.8
115.02514	9.2
116.98664	1.1
117.00454	10.4
132.98213	3.7
141.00456	1.9
156.99962	2.3
157.03557	1.4
159.01509	87.3
159.96588	1.2
160.01654	6.1
174.99266	19.6
187.00940	0.7
201.02577	16.3
202.02716	1.4
217.00313	40.4
218.00688	1.7
232.98254	1.4
241.29771	0.6
256.98358	1.1
259.01581	1.9
274.99350	6.0
298.99350	1.0
301.02704	50.3
302.02823	7.1
317.00439	89.1
318.00610	8.8
338.52231	0.8
374.99258	1.1
417.00534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0935
Annotation	Baicalein 6-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
57.03448	3.1
57.94900	1.0
59.01381	21.4
71.01389	12.3
72.61366	0.9
72.99315	1.6
73.02941	1.7
75.00872	5.6
83.01387	1.2
85.02956	26.1
85.03475	1.7
87.00880	3.2
89.02457	3.4
95.01401	8.3
99.00900	7.2
103.00399	3.3
110.00111	3.6
113.02457	36.3
115.00410	1.3
117.01936	3.0
119.01405	1.2
125.02463	1.4
129.01904	1.5
137.99619	1.1
163.00392	11.3
165.99092	4.4
175.02487	7.8
182.03758	1.1
184.05290	3.8
185.61090	0.9
190.48610	1.2
195.04471	1.1
196.05247	1.9
198.03233	2.6
223.04170	1.1
239.03473	3.0
267.02942	3.7
268.03784	100.0
269.04080	6.0
283.06140	71.0
284.06546	5.8
315.15897	1.3
415.30719	1.1
459.28104	6.5
475.12936	1.1
480.42822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1146
Annotation	7-O-6'-O-Malonylcachinesidic acid
Peak:m/z	Relative Intensity
51.29416	0.9
56.32019	1.1
56.48209	0.9
59.01383	10.4
63.58609	1.1
67.01890	1.8
69.03471	4.4
69.06618	7.9
71.01382	9.3
71.05016	2.0
73.02950	2.0
79.01911	3.8
81.03477	1.0
83.01385	1.3
85.02971	2.1
87.04591	1.3
89.02462	2.5
95.01411	4.0
97.02942	8.7
99.04594	1.2
101.02461	2.7
107.01397	14.4
109.02990	2.8
109.37373	1.0
111.04540	2.2
113.02457	30.1
123.00891	39.0
124.01693	11.3
125.02460	43.2
127.04025	32.1
128.04379	1.2
131.03552	1.2
137.02420	1.9
139.00352	2.5
139.04124	1.1
140.01167	1.3
141.01945	7.7
145.05089	5.5
151.00394	24.7
153.01984	1.2
155.03532	2.8
164.55972	1.1
167.03542	1.3
168.00665	4.0
169.01451	70.7
169.05107	1.7
170.01718	1.5
183.02966	3.6
193.01451	2.2
211.02481	14.6
253.03513	1.8
281.17648	1.0
313.05676	8.2
324.73398	1.0
345.08414	1.7
399.09308	2.0
427.08939	1.8
459.11551	100.0
459.18500	10.8
460.12042	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	459.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18131	0.3
55.01856	0.4
57.03439	1.2
59.01382	9.2
65.03957	0.8
70.08884	1.1
71.01381	5.2
72.99304	0.6
73.02936	0.7
75.00878	2.0
76.28626	0.4
83.05022	0.6
85.02950	2.0
89.02444	3.6
95.01411	0.5
95.05027	0.4
97.02965	0.5
98.22593	0.6
101.02450	2.4
102.02771	0.4
107.01424	0.8
107.05035	4.3
109.02959	0.9
113.02473	2.2
115.00395	1.0
117.03511	0.5
119.03518	1.7
119.05042	0.8
123.00905	1.3
123.04543	0.5
124.01691	0.6
124.19743	0.4
125.02441	3.5
126.02776	0.6
127.04031	0.5
133.01440	0.5
134.03769	1.2
135.03061	8.1
135.04533	100.0
136.04877	3.9
143.03500	0.4
145.02910	0.5
145.05093	0.4
147.08080	0.5
149.06079	0.4
149.09653	0.4
151.00298	0.6
151.04010	1.3
161.02446	1.8
161.04562	0.8
163.03993	0.7
168.00662	0.8
169.01414	4.2
170.01674	0.6
175.04013	0.5
177.09244	1.6
179.03505	15.0
179.05215	0.7
180.03915	0.6
186.05937	0.4
211.02481	1.4
217.12370	1.1
219.41737	0.4
221.08162	0.5
235.13348	0.6
255.10248	2.5
271.04703	2.3
275.02048	1.3
279.12460	1.1
297.06250	3.1
297.09259	0.6
300.99936	1.6
313.05750	1.1
341.08789	11.4
342.09067	1.0
343.08347	0.4
399.09457	0.6
441.10507	0.9
458.17426	0.7
459.11508	20.1
459.18228	6.7
460.11874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1151
Annotation	7-O-6'-O-Malonylcachinesidic acid
Peak:m/z	Relative Intensity
57.03447	2.1
59.01385	9.0
67.01862	1.2
69.03458	0.9
69.54610	2.3
71.01392	7.7
72.98788	0.8
73.02944	1.8
75.00896	0.8
79.01914	1.4
81.03448	1.0
83.01379	1.3
85.02962	15.8
87.00873	1.4
89.02468	3.7
92.73755	0.7
95.01393	2.9
97.02971	1.7
99.00903	0.7
101.02482	4.6
107.01397	6.8
107.05075	0.9
109.02937	2.2
111.00887	2.1
112.46420	0.7
113.02455	3.0
119.03521	1.5
123.00898	18.3
124.01674	15.1
125.02461	37.6
126.02740	1.0
127.00356	1.3
127.04027	0.9
128.49667	0.7
133.06668	1.2
135.03011	1.9
135.04538	13.3
137.02524	1.2
139.00400	3.4
140.01140	3.2
141.01958	2.6
145.05095	0.9
151.00395	10.8
153.01917	1.2
161.02437	1.7
161.04576	0.9
163.03993	1.2
167.03548	1.4
168.00677	10.0
169.01447	51.2
170.01810	2.1
179.03523	4.7
191.03542	0.9
192.51875	0.8
211.02493	39.7
229.01456	1.3
241.03610	1.5
255.10262	2.1
257.01035	1.3
271.04620	64.2
272.04941	2.5
275.01953	1.3
299.99042	1.0
301.00024	4.4
313.05646	4.8
331.06750	9.8
341.08765	1.1
371.60892	0.8
373.07782	23.7
374.08121	2.2
431.11914	1.2
441.10300	3.5
459.11432	100.0
460.11847	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	459.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81884	0.8
53.62313	0.8
59.01385	11.1
69.03464	0.9
69.92252	0.8
71.01389	11.4
71.88923	0.7
72.99306	1.2
73.02956	1.3
73.10675	0.8
75.00858	1.8
78.97539	0.9
83.01387	1.1
85.02965	4.2
87.00893	1.1
89.02448	5.4
91.05507	0.8
92.79794	0.8
93.03444	1.0
94.11167	0.7
95.01427	1.0
97.02966	4.6
101.02444	4.0
107.01408	7.4
107.05025	3.7
109.02975	2.1
110.00124	0.8
111.00875	1.7
113.02470	3.6
115.00395	1.5
119.03545	1.0
119.05046	3.6
123.00896	8.6
124.01673	9.3
125.02457	42.1
127.03991	1.1
134.03760	1.9
135.03069	4.2
135.04539	69.8
136.04858	3.6
137.02415	1.1
139.00394	1.6
139.04008	1.1
140.01192	2.6
141.01947	0.8
151.00365	5.7
159.04477	1.0
161.02444	2.9
161.04497	1.1
163.03998	3.0
168.00627	11.0
169.01442	71.1
170.01784	2.5
179.03508	15.9
191.03442	1.1
201.01932	1.1
211.02496	43.0
212.02834	1.8
217.12309	1.3
224.65178	0.8
229.01486	1.2
235.19200	1.1
241.03545	2.7
242.99539	0.8
255.10245	6.5
257.00909	1.0
271.04620	58.2
272.04901	3.1
273.91730	0.9
275.01868	2.0
284.85373	1.0
297.06192	1.3
300.99872	3.9
313.05765	16.2
314.06158	1.3
331.06683	3.1
331.77344	0.9
341.08740	7.0
343.08377	2.6
359.06052	3.9
373.07898	1.1
401.83142	1.1
459.11438	100.0
459.17877	3.9
460.11801	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	459.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91198	1.0
59.01385	5.2
68.46642	0.9
69.41663	1.8
69.42054	2.9
71.01393	3.8
73.02952	44.1
73.21833	1.0
74.03289	1.3
75.00871	1.7
75.66103	1.1
81.25790	0.9
85.02998	1.4
89.02463	1.6
95.61613	1.1
99.00881	5.9
101.02476	1.0
103.00367	1.4
103.91456	1.1
107.01427	2.4
111.00847	1.3
113.02480	1.5
116.92891	3.4
117.01951	100.0
118.02293	2.3
123.00887	3.1
124.01626	2.5
125.02491	6.8
125.08390	1.0
129.62141	1.0
135.03012	2.5
135.04549	9.9
145.01418	1.8
151.00436	1.3
151.88005	1.0
152.01183	1.7
161.02562	1.4
164.60593	1.0
168.00668	1.8
169.01442	11.2
172.21284	1.1
179.03520	4.4
210.11865	1.1
211.02534	6.0
271.04605	7.7
276.02740	1.3
285.06223	2.5
297.08368	2.5
301.00070	1.4
313.05661	2.6
341.08878	1.5
373.07596	1.3
408.60162	1.2
459.11392	15.0
460.11865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03436	0.5
58.46598	0.4
59.01387	7.6
61.98824	1.3
62.43178	0.4
62.83356	0.4
67.01888	0.6
69.03468	0.7
71.01392	5.3
72.99282	0.6
73.02950	1.7
79.01918	0.9
79.42782	0.4
81.03460	0.4
82.00620	0.5
83.01400	1.1
85.02952	2.5
86.40990	0.4
86.56104	0.4
87.00900	0.5
89.02457	1.7
95.01401	2.6
96.96004	1.4
97.02970	1.4
100.93378	0.8
101.02447	3.6
107.01401	3.3
110.00130	0.4
111.00884	1.7
113.02445	2.2
113.83471	0.4
115.92069	0.7
116.62771	0.4
119.03546	1.0
122.99994	0.9
123.00900	18.0
124.01691	9.5
125.02460	16.3
125.03171	0.3
126.02798	0.6
127.00440	0.4
135.04539	0.8
135.22676	0.4
136.98805	1.5
139.00377	2.7
140.01196	2.8
141.01974	3.0
141.64064	0.4
151.00391	10.5
153.01967	0.9
153.65038	0.4
163.04018	0.8
165.05679	0.5
168.00633	4.2
169.01447	19.5
177.02022	0.5
211.02533	1.7
219.13892	0.8
246.79617	0.4
257.72037	0.4
271.04654	2.2
275.19678	0.4
295.49716	0.5
300.99826	0.7
302.00262	0.5
313.05701	1.3
344.38431	0.4
441.26608	0.7
459.18726	100.0
460.19104	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	459.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63903	0.5
55.01883	1.1
59.01387	6.9
62.56050	0.5
62.56857	0.5
63.33385	0.5
67.01887	1.2
68.99805	0.6
69.03441	1.4
71.01393	5.0
71.58263	0.5
73.02947	1.6
79.01897	1.1
83.01378	1.8
85.02962	2.8
89.02449	1.7
95.01385	2.5
96.61522	0.5
96.96009	0.7
97.02956	2.3
101.02449	3.2
107.01399	5.5
109.02946	0.8
111.00883	2.1
111.04549	0.6
113.02464	6.7
122.99997	1.3
123.00901	25.5
124.01695	9.8
125.02473	23.1
127.04021	5.2
136.98816	1.6
137.02451	0.6
139.00391	4.8
140.01189	3.2
141.01961	5.0
144.21231	0.6
145.05048	1.5
151.00389	15.2
152.00752	1.1
153.02046	1.2
154.99895	0.7
163.03983	1.0
168.00662	4.8
169.01451	32.8
170.01793	1.2
173.02388	0.5
175.85933	0.5
183.02924	0.7
190.44788	0.6
211.02567	4.4
220.08101	0.5
232.48515	0.6
253.03551	0.6
271.04730	1.2
300.99478	0.6
313.05634	2.4
401.84848	0.7
459.11652	16.1
459.18677	100.0
460.11951	1.8
460.19031	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	459.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81611	0.4
55.01907	0.4
55.48412	0.5
56.29143	0.5
57.03461	0.6
59.01383	100.0
60.01719	1.2
62.96175	0.5
63.17628	0.5
66.46214	0.5
69.23459	1.0
69.23871	2.1
71.01386	6.9
72.99312	6.8
73.02955	3.2
75.00897	0.6
83.01398	0.6
85.02975	2.1
89.02445	2.2
89.76229	0.5
93.03475	0.9
95.01414	0.8
99.00901	0.7
100.20400	0.5
101.02463	3.5
107.01365	0.7
108.02261	0.6
109.03005	1.4
113.02466	3.3
115.00369	4.6
121.02981	3.3
123.00941	1.4
123.04553	0.6
124.01677	1.0
125.02445	3.6
133.01451	8.0
133.03000	0.6
133.05116	1.6
134.03763	1.3
135.01544	0.5
135.04538	4.5
139.00397	0.6
145.02980	0.6
148.05315	2.6
149.06204	1.2
151.00397	0.8
153.09236	0.6
160.01706	3.1
161.02480	1.8
161.04605	2.3
161.05844	0.5
166.06361	14.5
167.06894	0.6
168.00696	0.9
169.01448	5.0
172.14005	0.5
175.03978	5.1
179.03514	3.0
181.08723	13.9
181.10213	1.0
182.02274	0.6
182.09029	0.8
183.03040	1.4
193.05115	1.9
197.04636	2.1
208.07402	10.8
209.07796	0.6
211.02504	0.5
223.09773	15.0
224.10266	1.2
255.10249	2.7
275.02155	0.6
281.04745	0.8
297.08017	0.8
299.09470	1.5
300.99905	1.2
325.13052	1.2
341.06842	1.3
343.08572	1.5
343.14120	0.6
459.15085	6.5
460.15875	0.6
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
52.58362	0.9
55.01884	1.2
57.03445	3.4
58.00592	1.4
59.01383	100.0
69.03466	1.3
69.22987	5.5
71.01385	48.1
72.99322	2.5
73.02953	5.4
75.00893	2.0
83.01399	2.2
83.05047	2.8
85.02961	9.8
85.43269	1.1
87.00901	3.6
89.02451	60.0
90.98613	1.1
95.01416	3.5
96.96013	2.1
98.21876	1.9
99.00880	1.8
99.04520	20.3
101.02450	30.4
101.03111	1.6
107.01396	2.5
109.02962	4.2
110.15681	1.0
111.00957	1.2
113.02464	20.5
115.00388	3.3
119.03513	26.0
119.04980	1.4
123.00899	8.6
124.01709	6.1
125.02457	10.1
131.03543	2.4
133.01494	5.6
135.03021	2.3
135.04535	4.0
135.08167	3.3
137.02435	1.5
137.09508	1.1
139.00383	1.5
141.01877	1.3
143.03519	4.2
143.05067	2.2
147.04555	3.4
149.04578	2.5
151.00417	5.5
161.02438	2.2
161.04579	7.7
161.13397	3.5
163.03996	2.0
163.11296	5.6
168.00620	2.3
169.01436	9.2
179.03554	2.6
179.05591	7.2
182.17145	1.2
187.11325	1.5
191.14418	3.6
193.92535	1.2
209.55432	0.9
211.02551	1.6
235.08168	4.0
235.13402	13.9
251.07289	1.7
253.08716	7.4
271.04605	2.0
275.01999	1.1
279.16013	34.5
280.16455	1.8
297.07755	2.8
299.09293	2.2
323.05481	2.1
422.53400	1.2
459.18555	32.2
460.18796	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	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
59.01385	63.8
61.98836	2.7
63.39858	1.5
71.01389	20.0
75.32560	1.3
85.02950	2.3
89.02464	17.1
99.04530	1.4
101.02440	4.0
111.08170	1.4
113.02467	2.1
117.93661	1.2
119.03483	1.5
125.02451	4.0
149.04514	1.4
152.25594	1.7
169.01476	3.9
171.10213	2.0
179.14314	1.4
183.13927	5.9
185.11848	3.8
195.13899	2.9
197.11757	2.0
205.12354	2.6
209.11618	1.5
210.35535	1.7
211.13397	35.2
212.13779	1.5
221.11832	3.8
223.13391	19.5
239.12874	2.3
248.70184	1.4
253.09326	3.6
291.19827	5.9
309.20731	1.9
309.65042	1.3
311.22318	1.6
327.21851	8.1
350.10089	1.5
452.78406	1.5
459.14734	5.0
459.25980	100.0
460.26288	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	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
57.03453	0.6
58.71048	0.3
59.01385	100.0
60.01724	1.0
62.89560	0.4
69.60944	1.6
71.01387	16.0
73.02957	6.7
83.01382	2.6
84.31946	0.4
85.02963	5.6
87.00890	0.8
87.04546	1.2
89.02456	5.1
92.35570	0.4
95.01407	1.6
97.02959	0.6
98.22656	0.4
99.00910	1.5
101.02445	11.8
111.00921	1.5
113.02460	5.6
119.03494	2.1
125.02492	0.8
130.95119	0.4
143.03551	1.2
147.84441	0.4
161.04594	5.3
169.12428	0.4
179.05699	0.9
203.90289	0.4
255.19788	1.3
337.77133	0.4
383.72983	0.4
399.23901	11.3
400.24039	0.9
417.24997	14.5
418.25305	1.8
483.94366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03456	1.1
59.01385	100.0
60.01729	1.0
61.98840	0.8
66.91192	0.4
71.01389	9.2
71.01783	0.5
71.05036	0.4
71.42922	0.5
73.02953	4.6
83.01404	1.3
85.02962	3.2
87.00871	0.7
87.04539	0.9
89.02457	6.8
95.01427	0.9
95.42387	0.4
97.02937	0.8
99.00896	1.5
101.02443	9.4
101.06109	1.7
111.00925	0.4
113.02461	4.6
119.03545	1.6
125.02487	1.3
131.03476	0.6
136.74519	0.5
143.03511	0.7
145.02980	0.5
149.04613	1.2
161.04584	3.7
179.05769	0.7
222.54436	0.4
245.88654	0.4
255.19757	1.0
291.18411	0.5
297.20779	0.6
399.23972	3.5
417.25043	6.2
418.25214	0.6
423.22583	1.0
459.19144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10134	0.9
59.01385	100.0
61.98822	0.9
69.24528	3.2
69.24924	2.4
71.01392	11.9
83.01369	1.2
85.02958	2.6
89.02457	17.9
101.02454	6.5
106.56593	1.2
113.02470	4.6
119.03501	8.0
125.02486	1.5
157.88879	1.1
179.05583	2.9
196.67111	1.1
269.30267	1.0
459.09198	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	459.2908
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
54.84564	0.8
72.02347	0.7
85.38920	0.6
107.05040	27.7
129.29112	0.8
157.73227	0.9
158.61368	0.7
163.11298	100.0
164.11632	3.7
283.17047	26.5
284.17371	2.3
295.17035	14.3
311.64395	0.8
320.99399	0.9
329.02243	0.8
343.13306	0.7
459.29056	82.7
460.29529	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	460.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75109	4.5
58.59637	5.2
59.01387	83.4
59.93397	6.3
67.01945	5.6
69.42595	25.8
71.01389	36.4
73.02943	8.6
75.00896	8.7
85.02959	15.1
86.64402	5.6
89.02456	17.5
95.01390	12.5
96.96044	6.7
97.02984	6.8
101.02466	21.5
102.94578	5.8
107.01401	20.4
109.02949	42.0
111.00937	11.1
111.61175	4.7
113.02445	8.7
115.00349	8.3
117.01921	5.4
117.03455	6.8
119.03528	8.2
119.05045	15.0
121.02964	11.6
123.00922	30.5
124.01723	9.0
125.02447	70.3
129.21347	5.4
133.02969	12.5
135.02982	14.8
135.04553	69.3
136.04871	9.5
137.02425	8.5
145.02969	23.9
146.03275	9.8
147.06654	8.8
151.00314	9.8
161.02496	32.6
161.04582	21.6
162.02837	15.9
163.04028	19.6
166.06367	66.6
166.99908	6.5
168.00677	10.3
169.01434	82.5
173.02383	7.3
175.04015	11.8
177.01910	8.9
179.03488	38.7
180.03877	14.6
181.08723	100.0
187.00305	11.2
189.01907	14.3
191.03514	18.2
193.01370	5.4
201.01932	13.9
203.03560	19.6
214.99817	10.7
217.01448	9.4
219.03069	6.8
229.01416	19.6
231.02972	17.6
235.08286	8.3
243.03177	7.8
245.00752	9.1
247.02522	10.1
248.03261	7.3
249.04016	28.8
255.10294	23.3
257.01016	18.4
258.01581	11.1
258.99008	8.0
259.02518	9.9
259.99603	8.0
261.00381	14.2
269.10495	13.4
271.04611	7.4
273.00415	8.0
274.01196	9.6
275.01959	87.1
276.02328	10.4
285.03995	7.7
286.98361	5.9
287.02057	8.0
295.02454	7.9
299.99127	13.5
300.99854	74.7
301.99945	8.0
344.08582	6.6
417.17471	12.8
451.03763	7.6
451.53677	7.0
460.15555	40.0
461.16925	13.0
479.86642	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	460.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48147	4.4
59.01386	100.0
60.01709	7.5
61.98811	4.5
71.01389	37.7
73.02944	16.4
74.06944	5.4
83.01392	4.8
85.02957	14.0
86.59781	3.9
89.02463	18.1
98.21880	8.0
101.02434	29.8
102.02777	4.9
113.02463	17.4
119.03514	7.0
161.04564	25.8
166.05124	25.0
178.00320	4.4
179.05594	3.8
229.08832	4.7
290.16797	5.9
304.97495	4.0
326.91122	4.4
417.25027	62.3
418.25250	13.7
422.21146	26.3
422.57846	4.3
460.18564	8.5
461.29108	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	460.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67496	4.0
59.01385	55.8
70.58878	6.0
70.59196	6.4
71.01369	13.2
72.84602	4.7
73.02963	4.3
89.02472	6.5
101.02446	5.8
111.77825	4.8
123.00896	11.0
124.01691	6.4
125.02451	19.7
126.02783	6.0
128.13800	3.9
134.13931	4.3
134.45552	4.1
151.00348	12.3
152.00848	4.5
169.01472	25.0
170.01688	4.6
187.07527	4.4
188.07892	3.9
190.05035	6.3
191.05843	6.3
192.06667	5.9
207.10281	10.2
225.11243	13.1
341.14984	8.6
350.46393	4.1
384.05811	4.5
460.19086	100.0
460.25812	6.7
460.27890	4.8
461.19745	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	461.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11446	0.3
59.01394	0.4
65.58333	0.4
68.33553	0.3
70.13911	0.9
73.02956	0.3
77.31995	0.3
94.13326	0.3
169.01456	0.4
172.01736	0.4
200.01186	0.8
216.00700	1.1
217.41747	0.3
218.93246	0.4
228.00713	0.4
242.99463	0.9
244.00180	1.3
270.98859	5.5
271.99384	0.4
298.98370	4.4
299.99152	100.0
300.99530	6.0
312.99893	0.7
314.00528	1.8
315.01508	79.8
316.01828	5.9
461.07303	23.7
461.20569	0.4
462.07706	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	461.0729
Annotation	3'-mono-O-methylellagic acid 4-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
58.15865	0.4
59.01386	8.9
67.21335	0.5
71.01376	3.2
73.02979	1.9
78.66548	0.5
83.05097	0.6
85.02995	0.8
89.02461	4.3
90.98630	0.9
93.03474	0.9
99.04568	1.8
101.02504	1.5
107.97739	0.5
108.02238	0.9
109.02992	0.7
113.02499	1.0
119.03563	1.4
125.02520	0.7
133.02994	0.9
137.02512	2.0
145.02965	1.3
151.04079	0.5
152.01222	0.9
161.02434	3.1
166.02759	1.2
169.01331	0.7
172.01709	0.6
179.05629	0.5
181.05099	2.0
188.38557	0.5
199.60861	0.6
200.01234	1.0
207.10365	1.4
216.00659	1.4
225.11345	0.8
242.99341	1.3
244.00122	1.9
270.98923	4.2
271.99457	1.0
281.06638	1.0
281.17587	9.1
298.98462	3.3
299.99133	100.0
300.99490	7.0
314.00696	2.2
315.01486	97.4
316.01822	6.0
387.14557	0.9
461.07202	20.5
461.14233	1.5
461.19925	0.7
462.07562	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90068	0.4
59.01085	0.5
59.01384	9.5
65.59715	0.4
71.01083	0.4
71.01385	4.3
71.42318	0.4
73.02944	2.2
75.42245	0.5
79.63725	0.4
83.05042	0.6
85.02946	1.6
86.45657	0.4
89.02451	3.7
93.67474	0.5
97.02952	1.2
99.00880	1.1
99.04520	1.4
101.02430	1.8
109.06607	1.1
111.67309	0.4
113.02480	1.1
119.03502	1.6
123.00842	0.6
125.02429	1.6
151.00253	0.7
161.04547	0.5
161.78825	0.4
163.11281	0.9
168.72292	0.5
169.01477	1.2
172.01672	0.5
181.12370	0.9
200.01195	1.1
207.10283	4.3
216.00578	1.3
225.11342	7.7
226.11743	0.7
239.23402	0.5
242.99307	1.1
243.12352	0.6
244.00140	1.2
247.17047	0.7
253.09300	0.6
270.98865	4.6
271.99460	0.8
281.17648	6.1
285.00882	0.5
297.97549	0.9
298.98376	4.0
299.99133	100.0
300.99530	6.6
312.99893	1.3
314.00754	2.2
315.01501	87.8
316.01810	5.5
328.02539	0.5
461.07346	21.2
461.19476	1.7
461.24069	3.7
462.07562	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	461.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	26.0
63.31421	1.9
63.88462	2.0
69.31651	1.9
69.34328	10.7
69.91278	2.2
71.01391	22.7
71.05030	16.5
73.02956	6.2
73.66780	1.9
76.53926	2.1
83.01390	2.6
85.02957	6.9
89.02487	11.1
93.03462	8.8
95.01406	5.5
99.00935	2.6
99.04530	16.8
101.02465	19.4
107.01413	7.2
113.02454	8.4
119.03525	6.3
123.00882	8.9
125.02463	24.1
125.53085	2.1
129.05618	7.7
137.02437	14.4
147.06650	30.4
151.00427	3.2
161.04581	5.5
168.00601	2.5
169.01433	30.9
175.03943	2.1
189.01923	1.8
211.02458	9.9
217.01454	3.0
245.01018	2.8
247.02525	4.0
271.04672	8.8
275.02014	6.3
299.02011	4.5
300.99979	6.1
309.11951	91.5
310.12411	6.8
312.20129	2.0
366.27960	2.2
391.61490	2.4
443.12045	29.9
444.12527	3.6
450.33505	2.3
461.13071	100.0
462.13663	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	461.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17237	1.7
57.03440	4.9
59.01385	43.7
69.03461	5.3
69.44827	8.3
71.01389	25.6
72.97529	2.8
73.02954	8.4
75.00891	3.4
75.02573	1.6
76.22437	1.8
83.05038	3.6
85.02953	11.8
87.00888	3.8
89.02433	9.7
93.07055	1.8
95.05081	2.0
95.89447	1.8
97.02962	15.0
99.00934	2.3
100.93405	2.0
101.02454	8.6
101.48736	1.8
105.07107	3.9
107.05003	1.9
108.05801	4.4
109.02944	9.4
109.06605	6.1
111.00977	2.1
111.04539	6.4
111.08183	4.0
113.02452	6.9
113.06097	6.8
115.04023	38.7
115.04787	3.0
115.92101	2.5
116.92860	4.4
119.03536	3.3
119.05028	15.8
119.08799	1.7
121.06639	2.2
122.03765	4.2
123.00901	3.9
123.08177	6.9
124.01660	2.9
125.02460	6.7
125.06075	15.0
127.07687	7.9
133.01459	3.1
133.02968	2.8
135.04541	14.7
135.08144	2.6
136.05324	3.7
137.02451	2.6
137.06097	10.8
137.17984	1.6
138.06909	8.9
139.07666	19.0
139.11299	4.7
145.02985	2.8
148.05237	2.2
149.06093	3.9
151.00426	2.3
151.07661	44.0
152.04817	6.1
152.08444	14.2
153.01944	8.4
153.09222	16.6
155.07176	3.5
161.02452	13.1
161.04533	4.2
161.09697	3.2
163.00542	1.8
163.04031	7.1
163.07579	2.7
163.11325	3.3
167.07173	3.4
169.01424	8.7
179.03526	14.6
179.05060	2.0
183.10245	10.7
189.02010	2.3
189.09204	2.3
197.02283	2.6
197.11868	7.8
201.12854	11.0
203.10828	4.8
204.11574	18.2
205.11951	2.4
207.10257	11.2
215.24258	1.7
219.13901	31.2
225.11378	24.9
245.11702	4.0
253.09338	2.4
263.12897	100.0
264.13242	5.5
275.02069	5.7
281.13980	3.7
287.13013	3.3
297.06210	5.4
301.00018	7.1
301.18253	1.8
305.13925	2.5
323.07852	2.2
386.03827	2.3
397.68945	2.1
460.18655	3.1
461.10422	3.5
461.20197	27.5
461.29446	3.6
462.04807	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96638	4.3
59.01383	100.0
60.07998	4.3
61.98809	5.3
69.03469	4.9
69.35507	12.7
69.35920	9.9
71.01380	35.2
71.45477	3.8
73.02959	25.1
82.48567	5.4
83.01380	5.0
85.02960	19.2
87.00881	9.1
89.02448	22.3
97.02959	4.4
99.07897	4.3
101.02472	26.8
113.02463	12.5
119.03542	9.6
125.02444	10.9
143.03534	5.9
163.06123	12.4
167.10826	9.7
180.48978	4.4
195.14008	6.1
207.10252	6.7
213.15009	5.4
214.16917	4.3
284.03241	7.9
299.05630	20.5
322.80667	4.2
375.20096	12.9
417.21375	38.1
443.27960	8.0
461.14893	7.0
461.24033	10.4
461.29358	49.7
462.29077	5.9
486.51770	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	461.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87110	0.7
59.01387	1.6
69.53477	2.8
78.95905	9.7
96.96040	1.0
97.19453	0.8
98.21932	1.9
109.06641	0.9
110.98549	7.9
116.76913	1.1
167.01219	2.6
167.10678	1.0
184.66470	0.9
185.02171	6.3
195.13905	8.2
196.14590	2.1
207.10286	1.5
223.13409	6.5
225.11371	1.4
256.13260	1.9
275.20123	4.3
275.58746	0.8
293.21243	100.0
294.21570	8.5
331.20520	0.9
401.95703	0.9
461.23251	17.7
462.23215	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.5
57.16930	1.6
59.01386	61.2
59.36218	1.2
60.01707	2.1
61.98829	9.2
63.39474	1.4
63.66879	1.3
69.03467	1.7
69.23810	8.3
71.01392	34.7
72.99310	1.4
73.02953	34.7
74.80174	1.4
83.01393	8.6
83.05032	16.8
85.02962	12.4
87.00864	4.4
87.04511	1.6
89.02448	9.7
93.30877	1.6
98.21854	3.3
99.00837	3.2
99.04529	1.7
100.15968	1.5
101.02448	34.3
104.69484	1.5
105.01955	2.0
111.08170	2.2
113.02464	12.9
119.03517	4.1
119.65691	1.4
125.02455	2.0
131.03459	1.9
139.11305	5.0
143.03448	2.2
149.04538	1.4
159.02940	2.7
161.04579	11.2
165.12857	20.4
169.01445	1.8
175.04248	1.4
183.13902	81.4
184.14275	5.8
196.62915	1.5
207.10370	2.8
209.11824	4.6
225.11301	3.2
227.12968	2.3
233.15376	2.3
239.16518	12.7
245.50938	1.7
251.11414	10.7
257.17603	3.7
273.00555	2.6
277.86212	1.4
327.74301	1.7
419.22787	7.1
461.23923	100.0
462.24390	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	461.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.40137	0.3
57.03455	0.7
58.00580	0.6
59.01385	38.8
60.01731	0.5
64.06661	0.3
71.01387	19.6
71.42915	0.3
72.01756	0.4
72.99324	0.7
73.02950	13.4
74.04205	0.3
81.03418	0.4
81.68747	0.4
83.01385	1.1
83.05052	0.4
85.02959	4.0
87.00877	1.3
87.04520	0.5
89.02455	22.3
95.01396	1.4
97.02965	0.7
97.49166	0.3
99.00865	1.0
99.04530	11.1
101.02451	9.6
107.01402	0.4
109.02989	0.3
109.06589	3.1
113.02467	7.4
117.03516	0.5
119.02663	0.5
119.03513	9.2
119.04887	0.4
123.00900	0.4
123.04559	0.4
124.01628	0.5
125.02472	0.8
130.00627	0.5
131.03482	0.9
135.04555	0.5
139.04010	0.4
143.03497	1.7
145.01425	0.7
145.02953	2.3
149.04605	0.9
161.02469	0.5
161.04573	1.5
163.11288	1.3
163.14946	1.2
169.01448	1.5
179.05638	3.5
181.12321	0.7
185.99669	0.5
197.99626	1.0
207.10268	9.8
207.13933	0.5
208.10709	0.6
213.99040	0.8
225.11342	7.5
226.99884	0.4
229.08707	0.9
241.98561	1.4
243.12433	0.4
249.42403	0.3
252.10559	0.3
253.09261	1.7
254.99396	2.9
257.00940	1.8
269.98065	24.9
270.98431	1.8
277.48782	0.3
281.17599	46.4
282.17987	3.4
282.98883	0.6
285.00427	13.9
286.00946	1.0
294.77463	0.3
297.97565	55.3
298.97955	3.9
299.99124	8.4
300.99713	0.8
312.99921	100.0
314.00287	8.4
314.97812	0.5
315.01495	7.3
316.01968	0.5
327.01172	0.3
328.02261	62.7
329.02643	5.9
407.70627	0.3
446.04944	6.9
447.05469	0.9
461.07303	60.2
461.19498	1.8
461.23941	4.8
462.07648	5.6
462.24643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
56.16153	0.7
57.03438	2.9
58.00585	0.6
59.01384	60.3
62.81747	0.6
69.03468	1.0
71.01388	27.7
71.05045	1.3
71.43922	0.7
72.99311	1.3
73.02950	30.0
81.03468	0.8
83.01394	1.0
83.05028	9.8
85.02964	6.5
87.00884	1.4
89.02452	24.4
90.98605	6.9
95.01395	1.8
97.02967	1.2
97.06575	0.6
99.04536	10.1
101.02460	12.4
109.06597	3.6
113.02464	8.4
114.30267	0.6
115.07660	2.5
119.03530	9.4
121.06635	0.7
123.00864	1.0
125.02457	1.4
131.03566	1.1
135.04575	0.9
135.08115	1.0
143.03516	1.7
145.01448	1.1
145.48698	0.7
149.04604	0.8
156.04105	0.6
159.10292	15.8
161.02448	0.9
161.04559	1.4
161.09789	0.6
163.11266	2.0
163.14949	2.0
169.01462	3.0
179.05609	2.8
201.01324	0.7
201.16565	0.8
207.10304	7.3
207.13866	1.3
225.11331	4.3
230.54463	0.7
253.09285	1.8
263.13116	0.7
263.16397	0.7
281.17603	100.0
282.17905	8.2
293.15155	0.7
299.98846	0.9
301.18182	6.2
309.18884	0.7
317.04074	0.7
327.19766	1.2
345.20816	3.2
425.27051	1.0
429.08636	0.7
432.61890	0.7
443.28067	3.2
448.14032	0.7
461.09952	0.8
461.23868	19.6
461.29395	10.0
462.24152	2.6
462.29846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08041	4.5
72.09991	0.6
98.21799	1.2
172.01743	2.8
173.02316	0.7
185.02435	2.1
188.01146	0.7
200.01149	2.9
201.01854	1.2
216.00578	3.3
226.99985	0.9
228.00673	3.4
229.01460	3.3
231.23804	0.7
244.00125	4.8
245.00853	2.0
257.00912	2.0
271.99588	3.0
282.98801	2.3
283.99585	1.7
298.98526	0.8
299.99127	90.7
300.99896	100.0
302.00290	4.4
344.83902	0.6
463.05225	73.7
464.05386	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78959	0.9
57.03444	1.2
59.01388	18.0
65.00343	2.4
65.03963	1.3
69.12546	5.6
71.01389	4.8
71.05018	1.7
72.29198	0.9
72.99321	5.0
73.02940	2.2
74.66038	0.9
76.32661	0.9
77.03962	1.9
81.03480	1.7
83.01397	15.0
83.05038	2.4
85.02937	1.4
87.00871	16.9
89.02439	2.5
93.03465	11.5
95.01376	1.8
95.05041	4.4
96.95995	1.2
97.06604	1.2
99.00877	2.6
101.02452	1.6
104.67147	1.1
105.03471	7.2
108.02208	1.5
109.02962	7.8
116.92910	1.2
119.05044	2.1
120.02179	2.0
121.02961	20.3
121.06588	2.4
123.00891	2.7
123.04533	8.3
124.01723	2.3
125.02445	5.6
125.09729	1.1
130.99855	2.8
132.02153	3.1
133.02968	19.4
134.03743	1.6
135.00906	1.6
135.04500	5.1
136.01668	2.1
137.02464	24.9
139.00436	1.5
139.04018	1.4
145.01450	4.8
145.02925	1.2
146.03778	1.2
147.00876	2.3
147.04547	2.1
149.02455	14.3
150.03246	1.3
151.00337	2.5
151.03966	1.3
153.09206	2.6
157.53149	1.1
158.03751	3.0
159.00998	1.4
159.04521	4.1
159.10281	1.8
161.02458	1.0
161.05984	1.3
162.81665	1.2
163.00357	3.3
163.04027	2.2
164.01180	34.4
165.01953	13.8
165.05586	1.5
169.01433	2.9
173.02559	1.1
173.06036	2.9
174.03227	1.9
175.00403	1.9
175.04051	2.0
176.01169	6.1
177.01939	69.7
178.02441	3.1
178.99797	5.1
179.03482	3.5
180.00613	1.5
181.01414	1.7
183.13922	3.8
185.02467	1.2
187.02531	4.8
187.03897	1.3
187.07663	1.5
190.02713	7.3
191.03542	4.6
193.01439	3.3
201.02043	1.1
201.09486	1.2
201.11319	2.9
202.02650	2.2
202.99843	5.9
203.03526	5.4
203.07190	2.1
204.04224	4.1
205.08723	1.2
206.99300	1.4
208.00142	49.9
209.00897	19.7
209.11829	4.8
213.14912	2.0
215.07133	3.8
217.08629	1.7
221.00925	100.0
222.01321	3.3
227.12886	1.9
229.01358	3.4
229.05014	1.8
230.02242	1.9
231.06541	1.7
231.10324	1.2
241.08690	1.5
242.02486	0.9
245.00879	1.2
246.98863	34.3
247.02525	3.8
247.99371	2.7
253.09207	1.2
255.10312	3.9
256.03687	1.5
257.08212	1.8
259.13171	1.0
264.99860	7.5
269.15445	1.4
271.02829	1.2
271.09836	3.2
274.04871	1.3
275.09302	6.2
281.08282	1.5
285.18381	1.2
297.07614	3.7
297.10892	1.2
298.08292	1.2
299.06033	1.8
299.09213	7.8
299.99164	13.5
300.99936	12.7
301.18127	1.3
303.19476	1.4
313.14395	1.6
325.07254	2.2
329.06552	1.1
329.10333	1.7
329.13943	2.8
331.11810	17.8
331.15359	1.8
343.08322	6.8
357.09744	3.5
361.09381	1.9
366.09723	1.5
373.08890	1.4
375.10870	22.3
376.11267	2.0
383.42496	1.1
401.08859	25.7
402.08813	1.3
419.10025	3.6
445.07922	1.1
462.24173	1.4
463.04645	11.2
463.15909	19.2
463.22061	3.8
463.30627	6.7
474.76505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	AC1MML41
Peak:m/z	Relative Intensity
53.64967	0.6
54.81674	0.6
56.81206	0.6
57.03444	2.6
59.01385	11.5
71.01385	15.5
72.99300	1.4
73.02954	1.7
75.00867	3.1
81.03450	0.7
82.80508	0.7
83.01389	1.0
85.02970	1.2
87.00887	29.5
89.02475	0.9
99.00919	1.0
100.50534	0.6
101.02457	1.0
105.68851	0.6
109.02957	2.1
111.42873	0.6
113.02445	0.7
115.00387	50.3
121.02972	1.0
123.04549	1.0
125.01527	0.8
125.02460	15.7
127.00352	1.3
133.02950	1.8
135.03021	3.7
137.02477	2.7
142.99878	0.9
148.01668	2.5
149.02455	2.8
150.03313	0.6
151.00378	0.8
151.03992	1.8
151.40248	0.7
152.04819	1.2
161.02467	2.0
163.00342	1.4
164.01212	0.6
165.01889	1.6
167.03403	0.8
167.07118	0.8
169.01450	0.8
174.01649	0.9
175.02498	100.0
176.01172	1.7
176.02815	2.0
177.01939	4.3
178.02734	1.8
179.03546	3.0
187.03992	0.8
189.01895	0.8
193.01469	1.6
195.03082	1.3
201.01877	0.6
202.99857	2.7
203.07167	0.9
204.00636	2.3
205.01413	1.7
209.07970	0.7
212.06953	1.6
215.03571	0.7
227.09224	3.1
231.03162	0.7
241.05064	1.4
245.08452	0.6
257.04483	1.0
265.05002	1.0
275.01938	0.8
283.06204	1.1
285.03995	0.9
287.05551	1.6
289.07162	3.3
295.02878	0.6
299.99045	1.6
300.99921	2.4
327.05121	13.6
328.05417	1.2
345.06128	2.6
463.04883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63460	0.7
59.01384	4.3
61.69878	0.7
63.02363	0.9
65.00296	1.7
68.18957	0.7
69.36179	2.6
71.01348	1.6
73.02895	0.7
83.01364	1.2
85.02900	1.0
89.02437	1.3
98.22653	1.5
101.02415	1.1
104.46509	0.7
107.01406	3.7
107.12165	0.6
108.02148	1.4
109.02914	1.4
113.02393	0.7
120.99645	0.7
121.02924	2.5
124.01627	1.0
125.02402	1.4
135.00894	1.1
143.79857	0.6
148.01651	1.4
149.04501	1.5
151.00374	11.7
154.38266	0.7
163.00410	3.4
164.01176	1.2
169.01335	0.8
171.04527	0.7
172.01630	0.8
178.99915	5.1
199.03999	1.2
209.11760	0.7
211.03969	1.2
215.03368	1.2
216.04068	0.7
226.02757	2.4
227.03477	3.9
227.12756	1.0
243.03011	13.6
244.03481	1.0
245.04393	0.9
251.40633	0.9
254.02205	2.7
255.03023	31.1
256.03445	0.8
271.02515	65.6
272.02927	5.2
284.41919	0.7
296.38657	0.8
299.02164	1.3
299.99347	6.5
300.02756	100.0
301.00006	5.8
301.03482	45.5
301.07129	1.0
302.03992	2.3
345.05902	0.7
381.74677	0.9
445.07559	1.1
463.08966	73.6
464.09213	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	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61060	1.9
57.03449	1.7
59.01386	18.3
64.55193	2.0
65.00330	1.9
66.82810	1.9
69.13486	6.8
69.13906	4.7
71.01391	8.2
72.99307	5.6
73.02976	2.2
79.05531	2.1
81.03502	2.6
83.01400	4.1
83.05042	2.9
85.02984	1.8
87.00893	7.7
89.02448	5.9
93.03491	5.6
95.05033	8.7
96.96044	3.0
97.06639	6.2
99.00931	2.3
101.02491	3.3
105.03497	3.6
107.05059	2.6
108.02212	3.7
109.02972	27.2
116.90554	1.7
119.05052	2.5
120.02249	2.2
121.02987	10.8
121.06604	13.0
123.00890	3.4
123.04540	7.9
124.01622	2.3
125.02460	15.4
127.07652	4.3
132.02147	2.6
133.03004	6.3
133.06609	3.6
135.04538	10.1
136.01675	2.7
137.02463	100.0
139.04025	2.8
141.05598	5.0
145.01501	3.2
147.00951	4.7
149.02420	9.5
150.03242	3.9
151.00424	2.0
151.04063	6.5
153.09239	13.8
155.03505	3.1
159.04533	3.5
159.10278	3.7
161.02449	3.2
163.00414	5.8
164.01170	35.2
165.01956	57.9
165.05598	4.4
166.02455	2.6
169.01395	4.6
173.02435	2.2
174.03264	3.4
175.00380	3.3
175.04039	4.1
175.07726	1.9
176.01163	4.8
177.01939	64.2
177.05566	5.3
178.02658	6.0
178.99881	3.0
179.03508	13.0
181.01447	3.8
189.01979	5.0
190.02693	9.2
191.03488	11.3
193.08717	6.7
197.09914	1.9
202.02744	5.0
202.98087	2.7
202.99861	15.4
203.03482	11.5
204.04282	6.1
206.99358	2.8
207.98198	2.3
208.00153	40.8
209.00931	64.4
210.01598	3.2
215.07101	4.2
216.00558	1.9
221.00940	68.7
222.01357	2.4
227.10890	2.2
230.02263	5.5
241.05066	5.4
245.00955	3.9
246.98874	84.2
247.02579	8.1
247.16939	2.2
247.99248	2.8
255.10287	11.0
271.09818	7.9
271.12756	1.9
274.01242	3.2
283.11978	11.6
297.07730	6.9
299.09265	22.3
299.99161	12.8
301.00015	11.9
301.03073	3.4
331.11905	37.6
332.12302	2.0
343.08200	28.1
361.09232	9.8
373.09366	3.9
375.10934	37.1
376.11450	2.7
401.08731	24.1
402.08838	2.2
419.09808	3.7
462.24344	2.4
463.05392	7.5
463.15860	13.9
463.25259	5.0
463.31174	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	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79329	0.6
51.23913	0.5
52.20178	0.5
57.03447	0.8
58.33521	0.5
59.01385	8.2
59.84907	0.8
62.49165	0.6
65.00312	0.7
69.03436	0.6
69.11584	2.1
69.11990	1.6
71.01395	6.4
73.02932	1.6
74.02511	0.6
83.01351	1.5
85.02925	1.8
86.74437	0.6
89.02452	3.8
99.00886	1.0
101.02448	3.8
107.01391	3.5
108.02164	1.7
109.02956	1.9
113.02424	2.2
119.03495	1.0
121.02943	1.8
125.02454	1.4
131.03531	0.6
133.02989	0.9
135.00948	1.1
135.06569	0.7
139.11304	1.0
148.01640	1.9
149.04530	0.7
151.00394	13.6
155.10789	0.9
161.02470	1.7
161.04556	2.2
163.00395	2.8
164.01187	0.8
169.01396	0.8
178.99876	5.7
182.21944	0.5
183.10265	5.1
187.04059	0.8
198.03181	1.0
199.04008	1.5
199.09715	0.7
200.04649	0.7
201.01955	0.8
211.03967	1.6
215.03546	0.6
226.02754	1.7
227.03529	3.5
229.05035	0.8
232.76881	0.6
238.34326	0.6
241.14497	4.9
243.02982	11.6
245.04561	1.1
254.02156	2.6
255.03004	29.5
256.03439	1.6
271.02509	64.6
272.02969	5.9
273.04141	1.6
279.10495	0.7
283.02463	1.8
297.12000	1.6
299.01929	1.5
300.02768	100.0
301.00293	2.2
301.03522	54.8
302.03781	3.1
320.12256	0.7
331.17676	1.6
463.08905	73.0
463.21973	7.3
464.09158	5.8
464.22302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside
Peak:m/z	Relative Intensity
57.03439	1.6
59.01388	6.1
61.80997	0.5
61.98822	1.6
63.09335	0.7
65.00323	1.9
69.19272	1.8
69.19679	1.7
71.01392	2.8
71.05028	1.2
73.02940	1.0
83.01385	1.3
83.05029	6.9
85.02957	1.3
89.02468	1.5
95.01377	0.8
98.21788	0.9
99.00914	0.7
101.02428	1.5
103.01067	0.6
107.01395	1.7
109.02938	1.2
111.00882	0.7
113.02463	0.7
115.07671	1.4
119.03481	0.6
121.02946	1.1
123.00865	1.4
123.08151	0.6
123.97676	0.5
125.02437	2.1
125.06136	0.6
133.02968	5.7
135.04539	2.1
136.98849	0.9
137.02457	3.1
139.00377	1.3
147.11734	0.6
151.00397	3.4
155.10774	1.6
159.10287	10.5
161.02426	0.9
163.00385	0.9
165.01942	2.4
166.99878	1.6
169.01382	0.8
178.99831	2.2
187.03989	0.8
191.03474	0.8
192.00739	0.7
193.01385	0.9
200.01129	0.6
201.01906	0.9
209.11839	1.1
211.03978	0.7
215.03505	0.8
227.03467	1.4
227.12791	0.6
229.05157	1.0
239.03491	0.7
245.04538	0.7
247.17076	1.0
255.02995	2.3
257.04312	0.8
265.14435	0.9
269.15399	1.0
273.03946	0.8
283.02457	1.0
285.18668	1.9
299.99109	6.4
300.02762	3.9
301.00162	6.0
301.03543	100.0
302.03879	5.6
303.19641	4.6
315.98599	0.7
391.10553	0.6
463.05084	4.6
463.25375	3.0
463.30969	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1099
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
59.01390	6.1
69.03462	0.7
69.38587	1.9
69.38992	1.6
71.01395	3.9
73.02960	1.1
79.01884	0.8
81.03471	0.7
85.02949	1.2
87.00890	5.4
89.02455	2.2
95.01416	1.2
96.96012	1.1
97.02959	1.5
99.00903	1.1
101.02427	0.8
107.01404	3.5
111.00889	1.3
113.02421	1.0
115.00362	2.5
123.00921	7.0
124.01675	20.9
125.02465	59.2
126.02774	1.9
127.84705	0.7
137.02493	0.9
139.00354	3.5
140.01176	0.8
151.00381	3.2
161.57436	0.8
164.07176	0.7
166.99869	1.6
167.03482	1.2
168.00661	32.2
169.01445	86.9
170.01790	2.1
175.02507	3.8
190.65125	0.7
193.01491	1.1
199.22632	0.8
211.02486	14.8
231.06729	1.0
241.03557	3.3
271.04630	29.4
272.04941	1.3
275.02011	2.4
299.99194	0.9
300.99991	2.0
301.05688	3.2
313.05670	4.3
317.02972	0.8
317.06744	1.1
326.45645	0.7
331.06747	28.2
332.06985	2.0
343.06815	3.5
373.07648	6.2
385.07895	2.1
403.08759	4.4
463.10974	100.0
464.11282	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	463.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55398	0.5
55.01878	1.6
57.03447	4.1
59.01384	16.4
60.01728	0.6
60.21751	0.5
61.03624	0.5
61.98840	0.6
66.47575	0.5
69.03455	3.0
69.28316	1.1
69.28702	1.5
71.01384	6.3
71.05025	1.8
72.99313	4.2
73.02952	5.8
74.78904	0.5
76.09826	0.6
79.05546	0.5
81.03432	0.8
83.01392	7.9
83.05033	1.8
85.02947	2.3
87.00875	2.0
87.04536	4.1
89.02438	2.7
93.03394	0.7
95.01419	0.6
95.05025	1.1
96.96023	0.9
97.06597	3.8
98.21921	1.3
99.00889	29.5
99.04585	0.7
100.01231	0.6
101.02442	7.7
101.06089	1.1
107.01395	2.2
107.05071	0.9
109.06588	1.1
113.02451	1.5
115.07657	1.5
117.01962	11.3
118.02231	0.6
119.03508	0.7
123.00897	2.1
123.08148	0.5
124.01672	2.3
125.01656	0.3
125.02463	9.7
125.06066	0.6
133.03003	0.6
134.03749	5.3
135.04527	1.5
135.08170	0.5
137.02454	0.9
139.07654	1.7
141.09200	0.5
143.03461	0.7
145.01439	100.0
146.01788	2.0
147.04497	0.6
149.06108	3.2
151.00354	1.9
151.07666	0.9
159.04518	0.6
159.10275	9.2
160.10547	0.7
163.02469	2.5
163.07660	1.2
168.00655	1.5
169.01427	10.8
172.05286	2.8
173.06090	1.4
175.07587	0.6
179.10808	0.6
187.02541	5.3
187.04010	1.2
187.07661	18.2
193.12280	1.0
197.09782	0.6
197.11806	0.8
199.13432	2.2
200.04953	0.6
201.05592	1.2
202.06491	3.2
203.10750	1.4
205.03551	33.8
205.08702	1.0
205.12447	1.2
206.03879	1.6
209.11859	2.0
213.09216	2.4
213.12759	1.2
215.07106	2.0
221.11845	13.9
227.03401	0.8
227.12932	4.0
229.01555	0.7
229.12411	0.6
231.10286	9.6
231.13852	1.1
233.15463	0.9
234.12605	6.9
235.13393	5.4
243.13837	0.8
244.00101	0.7
245.15503	2.0
247.17137	0.8
251.14445	1.2
253.09407	1.0
257.08170	4.1
257.15378	3.2
259.17044	2.4
265.18146	1.2
267.17609	1.2
269.15497	6.2
271.02359	0.8
275.09311	6.0
283.19257	0.9
285.18588	14.9
287.16614	2.5
288.17422	1.9
299.99167	11.5
300.99915	11.3
301.03345	1.1
302.00214	1.0
302.18359	0.7
303.19662	41.5
304.19998	1.8
313.05731	5.2
327.19812	0.8
345.20615	1.0
357.24496	0.8
391.04242	0.8
403.10437	1.5
427.28543	2.3
445.29556	4.2
462.30099	1.1
463.05206	9.5
463.12494	14.4
463.25446	8.8
463.30786	91.8
464.06168	0.8
464.12738	1.8
464.25311	0.9
464.31009	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	463.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03447	4.8
57.72330	0.5
59.01383	14.8
61.98832	0.4
69.03446	1.7
71.01389	4.4
71.05026	0.8
72.99314	4.1
73.02953	4.1
81.03500	0.6
81.07116	0.8
83.01402	8.9
83.05046	1.9
84.05322	0.4
85.02975	2.4
85.06574	0.5
87.00883	1.7
87.04516	2.4
89.02462	1.5
90.98618	0.7
95.01410	0.4
95.05051	0.8
96.96010	0.6
97.02991	0.5
97.06593	1.8
98.22709	0.9
99.00890	25.9
99.04493	0.6
100.01235	0.5
101.02460	6.5
101.06092	0.4
104.58223	0.4
107.01398	1.2
107.05014	0.5
109.02977	0.4
109.06606	0.7
110.13555	0.5
111.00902	0.6
111.08186	0.6
113.02456	1.3
115.07630	1.2
117.01949	11.4
118.04259	0.4
123.00905	1.1
123.08171	0.5
124.01672	1.5
125.02472	5.9
125.06043	0.5
126.02856	0.4
127.56696	0.5
134.03726	2.3
135.04526	1.4
137.02448	0.4
139.07697	1.0
145.01440	100.0
146.01794	1.8
147.08115	0.5
149.06076	2.1
151.00403	0.8
151.07710	0.4
155.10750	0.6
159.04565	1.2
159.08148	0.6
159.10262	5.9
160.10597	0.8
161.02403	0.5
161.04550	0.5
163.02492	1.4
163.07707	1.1
168.00655	0.5
169.01439	6.4
172.05275	2.6
173.06042	2.0
177.09189	0.4
179.10840	0.5
185.09785	0.5
187.02524	5.3
187.04002	0.6
187.07664	16.7
188.08104	1.0
191.10834	0.6
197.09677	0.5
199.04115	0.8
199.13474	1.9
201.05602	1.3
202.06377	3.6
203.10818	1.0
205.03543	32.2
205.08739	0.9
206.03938	0.8
207.13959	0.4
209.11833	2.4
213.09241	2.0
213.12918	1.2
215.07240	1.9
216.07776	0.6
217.12486	0.7
221.11852	7.5
227.03410	0.7
227.12866	4.5
229.01172	0.5
231.06709	0.6
231.10281	10.1
231.13899	0.6
232.10709	0.6
233.11842	0.6
233.15527	0.8
234.12625	4.6
235.13339	3.5
243.13861	0.5
245.15508	1.8
247.17227	0.8
251.14522	0.6
253.09254	0.7
257.08224	3.4
257.15497	1.1
259.16992	2.3
261.18646	0.6
263.16592	0.5
265.18027	1.0
267.17618	1.2
269.15500	5.0
271.13342	1.1
271.99603	0.4
275.09256	5.9
276.09650	0.7
281.17712	0.4
283.19373	0.8
285.18622	10.5
287.16525	2.5
288.17297	1.2
298.98386	0.4
299.99149	7.8
300.99942	6.6
301.03583	1.5
301.17795	0.5
303.19672	26.0
304.20050	0.9
307.56277	0.4
313.05661	2.6
327.19577	0.8
345.20816	0.9
373.16708	0.6
403.10379	1.4
427.28735	1.7
445.29553	1.7
461.23181	0.4
462.29349	1.0
463.05228	4.2
463.12521	5.7
463.17068	1.3
463.25385	8.3
463.30823	51.9
464.06015	0.4
464.25583	0.6
464.31265	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01383	100.0
69.03461	6.3
69.71580	2.5
71.01389	28.4
72.99290	1.1
73.02941	2.6
79.05537	3.2
83.01400	2.2
83.05035	2.4
85.02943	6.7
87.00876	1.6
87.04498	1.8
88.40725	1.2
89.01940	2.1
89.02453	26.1
93.03456	2.4
95.01407	3.0
96.96013	2.3
97.02953	2.3
97.06589	2.3
98.22637	1.5
98.71995	1.1
99.00859	1.2
100.14181	1.3
101.02458	15.2
109.12066	1.1
110.22559	1.1
113.02483	10.6
115.04022	1.4
119.03529	9.5
123.00911	2.0
123.04494	1.2
123.08167	1.8
125.02451	2.9
131.03476	1.3
135.04552	1.5
138.06868	2.8
141.05595	2.8
143.03531	2.0
153.09274	6.6
161.04591	10.2
165.09119	1.4
167.07135	4.4
169.01381	3.8
179.05624	11.8
191.03406	1.4
205.12375	2.0
223.13358	3.2
229.01489	2.1
239.12953	1.4
241.14467	34.5
242.14798	2.6
245.00824	1.2
265.10873	2.4
275.02045	2.0
280.84024	1.3
283.11880	14.6
299.99191	8.5
300.99924	13.2
357.51779	1.2
403.19672	5.2
463.04965	9.3
463.11670	1.4
463.18298	3.5
467.13864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.4
56.80353	0.7
57.03459	3.9
58.00597	1.0
58.55003	0.8
59.01382	91.5
67.77909	0.6
69.03443	2.5
69.21348	4.5
71.01387	100.0
72.01732	0.7
72.99350	1.6
73.02955	35.1
75.00878	3.2
81.03454	1.7
83.01397	10.3
85.02957	29.6
87.00874	4.3
89.02451	74.9
95.01388	7.5
97.02948	5.5
98.22686	1.4
99.00887	24.9
101.02451	63.8
111.00882	0.7
111.07993	0.8
113.02460	36.1
114.02820	0.9
115.04040	2.5
119.03511	17.1
125.02452	9.2
131.03525	10.3
143.03508	7.4
149.04570	25.1
159.03003	5.4
161.04578	42.7
169.01448	1.2
179.05624	7.2
191.05595	6.7
227.12799	0.7
233.06633	5.1
243.99992	0.7
251.07709	1.5
258.71164	0.7
293.08917	2.7
299.99173	7.9
300.99973	8.7
301.03363	1.3
315.98398	1.0
316.99289	2.1
331.17633	23.2
331.21591	1.3
332.18048	2.3
400.62845	0.8
463.05029	8.6
463.21902	100.0
464.05515	1.4
464.22244	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03460	7.4
58.78489	0.6
59.01386	37.0
61.04367	0.7
69.03465	11.5
71.01389	27.3
71.05014	1.5
71.41033	0.7
72.99326	1.1
73.02955	10.1
75.00873	0.9
81.03468	1.0
83.01405	3.6
83.05047	1.1
85.02962	8.3
87.00893	2.0
87.04518	3.1
89.02455	17.0
95.01385	2.0
97.02968	1.3
99.00883	2.6
99.04530	1.1
101.02455	17.7
111.08182	0.9
111.83898	0.5
113.02470	10.6
113.06094	0.7
115.04018	0.8
115.58014	0.6
117.05608	2.3
119.03521	6.2
122.24499	0.6
123.08173	0.8
125.02494	2.0
127.07672	1.3
131.03474	2.0
135.04514	0.8
135.05676	1.1
135.06650	9.6
137.06073	0.7
137.09727	1.2
139.11310	26.9
143.03497	2.3
145.05154	0.7
147.00775	0.6
149.04547	2.3
155.10786	7.6
159.02939	0.8
161.04549	8.9
179.05649	2.6
183.10284	100.0
184.10628	3.3
185.02373	0.8
191.05705	0.8
197.11848	1.5
199.09795	5.4
209.11888	1.2
225.11353	1.1
227.12898	7.3
229.01385	1.0
233.06699	0.9
241.10826	1.1
244.00026	0.9
253.09291	1.1
279.10849	7.4
297.11932	27.0
298.12277	1.7
299.08981	0.7
299.99146	15.6
300.99905	17.4
302.00192	1.2
311.04117	0.8
331.17645	7.3
403.16113	4.1
463.05212	15.1
463.15512	1.5
463.21902	23.2
464.05368	1.3
464.22141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.4
59.01385	8.6
59.42957	0.6
62.41581	0.6
65.00278	1.6
69.03403	1.9
69.42793	1.3
69.43175	1.4
71.01396	4.5
73.02936	0.9
83.01346	1.3
85.02915	1.7
86.93857	0.6
89.02445	4.5
93.03403	0.7
95.01350	0.7
98.21863	0.6
98.60376	0.6
101.02395	2.4
107.01389	2.9
108.02122	2.0
109.02884	1.7
113.02407	2.1
119.03442	1.4
121.02903	2.1
124.01614	0.7
125.02420	0.9
129.76221	0.6
135.00856	0.9
135.06573	2.7
139.11307	6.5
147.08678	0.7
148.01643	2.3
149.02437	0.6
151.00383	12.6
159.25180	0.6
161.02409	1.3
161.04510	1.2
163.00340	2.8
178.99878	6.3
183.10278	22.6
184.10608	0.9
187.04115	0.6
199.03979	1.7
201.01930	0.6
203.03462	1.0
209.11832	0.6
211.04031	1.1
226.02658	2.5
227.03554	4.2
227.12814	0.8
229.01479	0.9
229.05002	1.4
239.03226	0.6
241.14514	4.9
243.00668	0.9
243.02998	13.0
244.03688	0.7
245.04482	1.3
254.02196	2.8
255.03014	29.1
256.03345	1.8
257.04712	1.5
271.02499	69.7
272.02924	5.0
273.04099	1.2
279.10883	1.0
283.02490	1.8
297.11911	6.1
298.12326	0.7
299.01950	1.4
299.99356	5.7
300.02756	100.0
300.99991	4.2
301.03485	56.2
302.03830	4.1
463.08963	64.2
464.09326	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73912	0.4
59.01389	7.6
67.75998	0.5
69.39180	2.4
71.01401	4.1
73.02961	1.1
80.02686	1.3
81.03461	1.4
83.01388	1.1
83.05034	4.7
84.02199	0.7
85.02956	1.3
89.02454	4.1
99.00878	1.0
101.02462	4.2
109.13437	0.5
112.44446	0.5
113.02466	1.9
119.03474	0.6
135.08125	0.6
149.04579	0.8
160.23831	0.5
161.04570	2.0
163.11365	4.5
165.12843	2.2
179.05603	0.5
181.12428	0.7
191.10854	0.9
209.11852	100.0
210.12167	5.0
227.12904	15.2
228.13145	0.6
235.08321	0.5
253.09317	13.2
299.99002	0.9
300.99835	1.0
309.57153	0.5
463.05222	0.7
463.22064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03455	0.3
58.00597	0.4
59.01382	15.3
69.03462	0.4
69.35795	1.2
69.36201	0.6
71.01391	6.4
73.02949	1.9
80.02686	1.0
81.03461	1.2
83.01400	1.2
83.05032	4.6
84.02177	1.2
85.02956	1.8
87.00867	0.7
89.02451	7.8
95.01376	0.5
95.05038	0.7
99.00884	0.8
101.02451	5.3
113.02464	2.3
119.03516	1.9
119.31887	0.3
123.89211	0.3
124.01681	0.5
125.02475	0.9
125.06118	0.8
131.03506	0.9
133.02985	0.8
135.08179	0.6
143.03494	0.7
149.04576	2.1
151.00378	0.5
159.45573	0.4
161.02490	1.7
161.04521	2.4
163.11302	3.7
165.12825	2.1
179.05679	1.1
181.12393	0.7
191.05753	0.4
191.10881	0.9
199.13383	0.6
209.11850	100.0
210.12181	5.0
227.12912	17.6
228.13231	1.0
241.14514	4.2
242.14827	0.4
253.09303	13.2
254.09682	0.5
255.03018	1.3
271.02570	3.0
299.99091	3.9
300.02756	4.5
300.99881	3.1
301.03510	2.3
329.14804	0.4
331.17587	0.7
411.66220	0.3
437.83298	0.4
463.04602	1.3
463.09866	2.0
463.21677	2.8
463.27264	0.4
474.52231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03447	0.9
58.00635	0.3
59.01384	13.5
61.01832	0.3
61.98828	0.4
69.03465	0.4
71.01388	4.7
72.98972	0.3
72.99308	1.6
73.02953	2.3
81.03448	0.3
83.01394	3.4
83.05029	1.3
85.02944	1.8
87.00880	2.5
87.04526	0.6
88.98827	0.3
89.02451	3.2
95.01394	0.6
96.96032	0.3
97.02984	0.3
97.06618	0.7
99.00900	1.4
99.04534	0.4
101.02455	4.8
109.06606	0.3
111.04556	0.2
111.08160	0.9
113.02457	2.4
115.07692	0.3
116.92864	0.9
117.01961	0.6
119.03492	0.9
119.05032	0.6
120.96182	0.2
123.00862	0.5
125.02436	0.5
130.99893	0.3
133.02933	0.3
133.05089	0.6
134.03728	0.3
135.04558	1.8
138.27745	0.2
139.24588	0.2
143.03511	0.3
145.01450	4.2
146.03687	0.3
157.05096	0.3
158.03719	0.6
159.03203	0.3
159.04535	0.9
159.10295	1.2
161.02480	0.3
161.04602	1.5
163.04018	0.3
165.12869	8.7
166.13226	0.4
169.01414	0.4
173.06081	0.9
175.07599	0.3
179.05579	0.3
183.13919	100.0
184.14264	3.8
187.02484	0.9
187.04037	0.4
187.07640	0.8
199.07629	0.3
201.05577	0.3
201.09332	0.3
202.06378	0.7
203.07257	0.3
205.03560	0.7
205.08673	0.5
209.11884	2.7
215.07176	1.0
216.00706	0.3
216.07919	0.4
217.08646	0.3
221.11899	0.6
227.03406	0.3
227.12914	11.4
228.13196	0.7
231.06668	0.5
231.10262	1.0
234.12820	0.3
235.08224	1.3
235.13503	0.5
243.06726	0.3
244.00116	0.3
245.15614	0.3
246.98776	0.3
247.17101	1.8
253.09319	5.5
263.16745	0.3
269.15359	0.4
271.12616	0.2
275.09229	1.6
285.18594	0.9
299.99161	6.8
300.99884	5.8
301.17361	0.2
302.00391	0.4
303.19739	2.4
313.14447	0.6
319.19025	0.4
347.22330	0.3
355.15469	0.3
421.20685	0.4
445.20877	0.8
445.29666	0.3
463.05042	4.6
463.11105	2.4
463.16458	2.9
463.21826	54.5
463.30502	6.4
464.05179	0.6
464.16409	0.4
464.22229	5.4
464.30270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03175	0.4
57.03453	8.8
58.03796	0.4
59.01389	3.5
59.48030	0.3
61.20306	0.3
67.34219	0.4
68.07460	0.4
69.03462	1.6
69.63068	1.3
71.01391	2.7
71.05014	0.7
73.02947	2.3
79.05544	0.7
81.03442	0.4
83.05025	1.7
85.02958	37.1
85.06584	1.4
86.03276	1.1
87.00854	0.7
87.04523	1.2
87.05034	0.3
89.02453	0.9
95.05030	1.5
97.02982	0.5
97.06604	3.3
98.21928	0.6
101.02448	1.2
101.06070	0.5
107.05040	4.6
109.06574	1.5
111.04511	0.5
111.08152	0.5
113.02451	0.8
119.03557	0.4
119.05000	0.4
121.06640	0.5
123.04532	0.8
123.08208	0.4
125.02452	1.0
125.05215	0.6
125.06099	9.1
125.87337	0.6
129.09196	0.7
133.06622	1.7
135.08229	0.8
137.06070	1.0
137.09779	0.4
143.05067	0.6
143.10822	5.6
149.06104	1.6
151.07657	1.2
159.08138	0.5
159.10283	1.0
161.04688	0.4
161.06052	0.5
163.07646	2.0
163.11285	0.7
168.22696	0.3
169.01373	0.4
173.09705	0.5
175.11325	0.7
177.09218	0.9
178.99861	0.7
183.11830	2.2
185.09702	0.6
187.11871	0.3
187.13417	2.7
189.09239	0.5
189.12881	0.7
191.10809	0.7
195.11832	0.5
197.09793	0.6
201.09248	0.5
201.12851	0.6
203.07172	0.5
203.10710	0.4
203.14449	0.7
205.12605	0.4
207.13940	0.7
209.11765	0.6
211.11403	0.4
211.15057	0.6
213.12886	1.2
215.10762	0.4
215.14453	0.6
217.08656	0.6
217.12288	0.4
219.10214	1.0
221.09737	1.0
221.11697	0.5
222.10466	0.4
225.12863	0.7
227.14392	2.9
229.12346	0.5
229.15948	0.9
231.13908	2.8
232.10983	0.6
233.09738	1.2
233.15474	4.1
237.11331	1.3
239.10680	0.6
239.14439	1.0
241.12413	0.5
243.13792	0.4
245.15489	1.9
247.17036	3.8
249.12823	1.5
249.15039	0.5
250.12083	3.4
251.10623	0.6
251.12900	1.1
255.13962	1.1
255.17613	0.5
257.15469	1.6
259.16959	0.5
263.16537	13.4
264.16937	1.1
265.15958	1.5
267.13876	4.8
268.14709	0.4
272.14105	0.6
273.14957	3.3
281.15475	0.5
283.13852	0.5
283.17047	5.6
285.15009	8.0
285.18088	0.4
286.15408	0.7
299.12964	1.2
299.16580	1.2
299.99167	2.9
300.99854	2.9
301.03555	1.1
301.18100	22.2
302.18375	2.0
303.19327	0.4
304.16757	0.9
317.13919	0.7
318.14270	0.5
319.19156	32.1
320.19498	2.0
371.26071	0.5
373.27670	0.5
377.27197	0.6
409.27274	1.0
411.25107	0.9
427.28528	7.1
428.29022	0.7
445.24078	0.7
445.29684	9.1
446.29871	0.8
451.20563	0.4
463.05032	2.1
463.30707	100.0
464.30984	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	463.3071
Annotation	Kogagenin
Peak:m/z	Relative Intensity
57.03456	11.2
59.01392	2.6
61.98798	0.4
67.01901	0.4
69.03469	1.4
69.21745	1.7
71.01378	1.5
71.05031	10.5
72.02177	1.2
73.02947	1.1
74.65103	0.3
81.03461	0.3
81.07106	0.6
83.05035	84.8
84.05350	1.6
85.02975	1.1
87.04535	0.7
87.08148	1.8
88.35001	0.3
89.02461	0.4
93.03476	0.4
94.28597	0.3
94.78391	0.3
95.05051	0.7
97.06609	2.6
99.04535	1.1
101.02454	0.5
101.06109	1.9
105.95483	0.3
109.06613	1.1
113.02509	0.3
113.06116	0.5
115.07668	11.2
123.08189	4.4
125.02458	0.4
128.03860	0.3
129.09218	1.2
137.02490	0.3
139.07727	0.3
141.09253	2.8
142.08104	0.3
144.24002	0.3
149.06065	0.7
151.07620	0.4
157.08751	0.4
158.09544	0.4
159.10286	100.0
160.10641	3.8
163.07658	1.3
169.01448	0.3
175.11264	0.6
176.08383	0.3
177.09227	0.4
179.10756	0.5
185.09645	0.4
191.10805	1.0
193.01459	0.3
193.12340	0.5
203.10811	0.9
205.08693	0.8
205.12321	1.3
206.23631	0.3
213.12936	0.7
221.11859	9.1
231.13892	0.7
233.11891	0.4
233.15462	1.1
234.12628	4.8
235.13403	3.5
239.14447	0.5
245.15451	1.8
247.17046	0.6
251.14250	0.4
257.15546	2.6
257.18137	0.3
257.19064	0.3
259.16901	1.4
267.13754	0.5
267.17557	0.7
269.15469	5.7
270.15964	0.6
283.16815	0.6
285.15424	0.5
285.18655	8.8
286.18893	0.8
287.16647	0.6
287.20120	0.8
288.17371	1.0
299.99200	1.2
300.99872	1.2
301.03079	0.5
301.10916	0.3
301.18109	0.6
303.19690	38.1
304.20078	3.1
315.19751	0.4
331.19025	0.8
333.20816	1.6
334.21161	0.4
345.20746	0.7
351.23441	0.8
353.21127	0.3
369.24277	1.2
375.21783	0.7
427.28528	0.7
429.26181	0.5
445.29584	2.3
447.27451	0.9
463.05112	0.9
463.30737	85.3
464.31024	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	463.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.7
59.01390	3.1
61.98817	0.5
64.75239	0.4
69.03468	1.4
69.22651	2.5
71.01376	2.0
71.04995	0.4
73.02950	1.8
79.05537	0.4
83.05038	0.9
85.02957	31.2
85.06593	0.7
87.00890	0.4
87.04517	0.6
89.02448	0.8
93.03505	0.6
95.05034	1.5
97.02950	0.5
97.06596	3.8
101.02430	0.5
107.05039	4.3
109.06590	1.4
111.04556	1.0
118.14224	0.4
119.05059	0.8
121.06577	0.4
123.04473	0.5
123.08187	0.7
125.06095	7.6
133.06612	0.7
135.04552	1.1
135.08226	0.7
137.06090	1.1
143.10776	4.1
147.08168	0.5
149.06087	1.7
149.09758	0.6
151.07648	1.4
153.09245	0.8
163.07625	1.4
163.11305	1.0
165.09261	0.5
173.05911	0.4
173.09772	0.6
177.09190	0.7
183.11797	2.4
189.09212	0.5
191.10843	1.4
197.09830	0.4
199.11432	0.5
203.10829	0.9
207.13849	0.6
211.14970	0.5
212.69623	0.5
213.12915	0.8
215.14525	0.7
217.12354	0.5
219.10304	0.6
221.09741	1.2
221.11722	0.7
225.13029	0.4
227.14491	1.4
229.12321	0.8
229.16029	1.0
231.13963	2.5
233.09673	1.2
233.11845	0.7
233.15523	2.9
237.11295	1.6
239.14439	0.9
240.11586	0.5
241.12401	0.5
241.15950	0.8
243.13867	1.1
245.15500	5.7
247.17108	3.3
249.12865	1.5
250.12111	3.4
251.12918	1.2
255.13664	0.7
257.15573	1.0
263.16531	8.9
263.19244	0.8
264.16684	0.5
265.15997	1.1
267.13895	4.0
272.14310	0.8
273.14981	3.5
283.13910	0.5
283.17017	5.2
285.15005	6.6
286.15616	0.8
299.13184	1.0
299.16583	1.3
299.98993	2.4
300.99738	1.5
301.18121	17.9
302.18460	1.6
304.16800	0.7
319.19153	25.1
320.19440	1.4
343.13455	1.7
393.24628	0.9
403.15640	1.2
409.27585	1.3
421.20859	0.7
427.28552	6.8
428.29245	0.9
429.26434	0.6
445.29636	8.0
446.29932	0.8
463.05350	1.7
463.30701	100.0
464.31061	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	463.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
59.01384	2.4
61.98830	0.7
65.65640	0.5
69.03480	0.6
71.01365	1.0
71.05030	0.9
73.02946	1.6
81.29264	0.4
83.05035	3.0
85.02934	1.7
85.06604	1.9
85.09062	0.4
87.00859	0.6
87.04525	10.9
89.56981	0.5
91.70296	0.5
95.05042	0.5
95.98515	0.5
97.06589	5.7
113.06112	6.7
115.07663	2.4
123.08165	0.7
125.02454	0.6
125.06104	0.6
129.09219	2.9
143.10796	1.0
151.07649	1.5
155.10744	0.5
159.10307	3.1
169.01430	0.5
173.09726	0.5
173.10352	0.8
173.11838	11.5
175.11314	1.1
183.13905	6.1
191.10796	1.4
193.12393	0.7
203.10773	0.9
213.12857	0.6
215.14262	1.0
217.16066	0.6
219.13852	1.1
221.11766	0.8
221.15547	0.5
227.14639	0.9
229.12297	1.1
229.15941	5.0
230.16238	0.6
231.13933	0.7
233.15523	2.1
235.13333	0.7
235.17101	0.6
243.13956	1.2
245.13011	0.6
245.15485	11.8
246.15979	0.7
247.17049	100.0
248.17375	7.6
259.17099	1.0
261.15054	3.5
263.16541	45.9
264.16849	3.1
269.15588	0.6
273.18619	2.0
283.16742	0.6
285.18610	1.2
289.17795	0.8
299.99121	4.5
301.00012	3.7
301.03067	0.9
301.18100	2.1
303.19717	3.5
317.17294	1.0
319.19119	1.8
329.21060	1.2
347.22299	9.8
348.22641	1.1
361.20108	0.6
445.29703	1.2
447.27612	0.9
463.05280	4.1
463.21207	2.4
463.30716	39.2
464.05801	0.6
464.31140	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	464.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.2
61.98838	100.0
62.33773	0.8
69.33076	3.9
71.01380	2.4
73.02955	0.9
74.39320	0.8
79.01914	0.9
81.03466	1.0
85.02956	2.0
89.02468	0.9
95.01398	1.4
97.02957	1.2
98.22661	1.7
101.02486	1.6
102.17817	0.8
107.01395	6.6
107.05045	10.3
108.46303	0.8
111.00906	1.8
113.02439	2.0
115.84912	0.7
123.00907	11.4
123.04533	0.9
124.01689	7.8
125.02465	31.0
132.96803	0.8
133.02921	0.9
136.98883	0.9
137.02487	1.2
139.00374	2.0
140.01152	1.1
141.01932	2.0
151.00386	8.6
151.03983	2.1
161.12032	1.0
167.03537	0.9
168.00635	2.8
169.01450	36.2
169.17061	0.8
172.01694	1.1
185.02458	1.5
186.02727	1.0
200.01155	1.3
201.01505	0.9
216.00833	1.2
217.00949	2.3
228.00542	1.1
229.01176	1.5
230.01833	1.4
241.03461	0.9
242.99184	1.0
243.99954	1.8
245.00511	3.0
246.01186	1.0
272.99997	2.2
283.99445	1.8
285.00049	1.5
299.99146	24.6
300.99622	74.7
302.00253	53.6
302.85016	0.9
303.00577	4.1
313.05673	7.9
315.01260	1.1
316.01636	1.0
328.02255	0.9
344.01385	1.1
374.02341	2.1
421.11444	27.6
447.09555	3.8
464.05557	70.9
465.06036	4.9
465.10788	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.3
61.98835	100.0
71.01392	1.6
72.99318	0.8
85.02984	0.7
87.00897	2.2
93.58936	0.6
97.86349	0.5
101.02483	1.2
132.29565	0.6
161.04668	0.7
173.06107	1.2
218.09512	0.7
228.08023	1.1
265.19577	0.7
315.18298	0.8
341.85220	0.6
464.17099	1.0
465.17651	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	464.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.6
58.50639	3.0
59.01385	42.9
59.96267	2.7
61.58531	2.7
66.40963	2.7
69.31141	13.5
69.31516	6.4
71.01392	44.1
72.85902	2.7
72.99313	3.3
73.02946	23.0
75.00906	2.7
83.01357	7.2
84.47774	2.9
85.02965	21.2
87.00878	3.2
89.02466	13.4
94.95902	2.9
96.52509	2.8
97.02979	4.6
99.00883	6.3
101.02454	29.2
113.02460	16.7
113.85219	2.8
125.02449	3.9
161.04597	16.9
169.01474	5.9
289.16626	28.2
300.99716	7.8
421.20844	100.0
422.21088	7.7
463.31116	3.4
464.16199	6.6
465.17749	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	464.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.0
59.01381	91.9
61.98827	6.0
71.01389	56.2
73.02943	17.9
76.88353	4.2
85.02986	26.2
85.66160	5.0
89.02454	71.3
99.00876	13.8
101.02469	33.9
110.29260	5.6
113.02486	11.7
117.62115	5.3
119.03508	15.0
123.00929	7.6
125.02467	30.4
131.03473	9.4
137.02481	10.3
149.04556	21.5
161.04587	5.1
169.01425	20.0
171.69989	5.0
179.05589	6.9
247.17065	5.9
263.16580	5.5
264.16782	4.7
289.16754	7.2
300.99609	7.4
301.18100	14.5
302.18436	8.3
313.05670	10.3
319.00485	5.4
319.19287	7.1
320.19391	5.8
360.50537	6.0
415.17242	4.9
421.20859	100.0
463.30927	29.1
464.05389	8.3
464.31082	56.1
465.06683	30.8
465.17480	10.6
465.32126	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	464.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	3.1
56.23112	2.0
57.03455	3.0
59.01384	17.4
59.33226	2.1
68.00930	2.0
69.32877	9.7
70.09865	2.3
71.01385	41.7
72.99294	2.5
73.02963	17.9
83.01376	5.5
85.02946	20.9
89.02463	8.9
97.02921	2.7
99.00898	4.7
101.02454	26.7
113.02442	11.8
125.02439	3.4
135.38792	2.4
138.05875	2.5
143.03560	3.0
159.10310	3.1
161.04601	12.9
169.01399	2.5
193.99017	2.3
215.36174	2.2
289.16626	24.0
421.20810	100.0
422.21097	6.2
464.30835	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	465.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.9
61.98837	2.1
67.01894	1.3
69.03458	1.8
69.10365	7.0
70.06839	1.1
71.01388	18.6
73.02960	4.8
75.27625	1.0
77.47569	0.9
79.01849	1.3
81.03460	2.1
83.01379	3.8
83.05049	1.1
85.02956	8.8
86.33155	0.8
89.02454	7.4
93.03471	14.4
95.01373	3.3
97.02963	2.4
99.00858	2.5
101.02434	12.1
107.01403	14.0
109.02980	0.9
111.00872	2.6
113.02460	6.8
117.03476	0.8
119.03526	1.4
121.02950	1.1
123.00889	18.1
123.04514	1.3
124.01689	12.6
125.02455	73.1
126.02763	3.1
127.00401	1.1
131.03506	1.3
137.02452	31.3
139.00380	2.6
139.03972	2.3
140.01152	4.6
141.01907	2.9
149.02457	1.9
149.04515	2.7
150.06522	1.1
151.00391	8.6
151.04031	2.1
153.01994	1.9
161.04530	3.9
163.92422	1.0
165.01970	2.1
166.99907	2.4
167.03516	2.6
168.00644	8.2
169.01436	100.0
170.01755	3.5
177.01952	1.3
179.03513	1.7
183.03026	5.0
185.11800	4.1
193.01512	5.4
203.03453	1.2
209.11795	5.8
210.12198	5.7
211.02512	8.3
223.02570	2.3
235.02565	1.1
253.03558	1.3
253.09473	1.1
267.15991	2.6
271.04651	2.4
275.01984	2.1
295.04596	4.4
297.06097	4.4
297.11981	1.3
300.99783	2.9
303.00803	1.2
313.05664	36.0
314.05811	2.2
327.07190	4.1
333.19266	5.2
406.09161	1.2
447.01749	1.5
464.22134	1.3
465.06683	99.0
465.13156	7.1
465.23367	12.5
465.29520	1.8
466.07040	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	465.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	12.2
59.01119	1.3
59.01387	14.8
60.03849	1.0
65.00321	2.5
68.44631	1.0
71.01383	5.2
73.02947	2.5
81.03461	1.0
83.01403	3.3
85.02953	3.4
89.02443	3.7
95.01382	3.1
99.04536	1.2
101.02454	4.9
107.01400	7.5
107.05028	5.3
109.02946	2.7
111.00867	2.7
113.02431	3.8
119.03485	2.1
121.02939	1.3
123.00119	1.2
123.00903	12.7
123.04506	2.9
124.01678	16.6
125.02457	100.0
126.02786	3.3
127.00330	1.1
133.02971	2.6
136.01598	1.1
137.02405	2.9
139.00366	2.2
139.03989	1.6
140.01134	2.2
141.01927	2.0
147.04504	1.4
149.02441	5.0
150.03227	3.5
150.06871	2.2
151.00381	15.3
151.04013	5.7
151.07634	4.4
152.01183	13.0
153.01950	6.2
161.04590	1.8
163.04028	1.4
165.01918	1.4
165.05528	1.3
167.03517	0.9
168.00652	4.8
169.01436	31.2
174.03148	1.5
175.03961	4.0
176.01146	1.3
177.01926	4.1
178.99867	5.5
180.00537	1.4
181.01439	1.2
188.04816	2.1
189.05656	2.6
191.03584	1.0
193.01390	1.4
193.05054	2.7
195.06586	1.1
198.15804	0.9
199.04071	1.7
211.02480	9.9
215.07118	1.7
217.05072	6.2
219.02951	1.1
231.06654	2.1
241.05179	1.6
259.06140	12.3
271.04608	18.4
272.04980	1.7
274.04773	1.5
275.05530	6.6
285.04062	22.9
285.12497	1.2
285.97513	1.4
286.04489	2.5
297.06204	2.6
300.99799	2.4
301.99741	2.5
303.00397	1.0
303.05136	7.9
313.05563	5.3
313.09186	2.5
331.06604	2.1
421.11456	12.7
422.11752	1.0
437.10922	15.3
438.11252	1.6
447.02438	2.0
447.09296	6.6
448.09525	0.9
465.09122	49.7
465.14651	22.0
465.23590	2.2
466.10739	6.5
471.39731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03441	4.1
59.01385	23.5
65.00323	0.8
67.01904	0.8
70.74449	1.2
71.01377	8.7
74.99068	0.8
81.03490	0.8
83.01395	2.0
85.02956	3.0
87.00941	0.9
89.02452	12.0
95.01395	1.8
96.96011	1.4
97.03025	1.1
101.02448	5.3
101.72718	0.8
109.02968	4.5
111.00866	1.2
113.02453	4.5
119.03497	6.1
121.02982	1.6
123.00866	1.9
125.02454	30.0
137.02463	9.1
138.03229	3.1
139.00365	2.6
143.03531	1.1
143.05045	1.8
147.04597	1.5
148.01636	2.0
149.02460	18.1
155.05019	2.0
161.02483	6.6
161.04556	2.4
163.00368	1.9
163.04012	0.9
164.01147	4.7
164.98375	0.9
165.01906	4.6
166.02734	14.6
166.99789	1.4
167.03465	6.9
169.01440	3.5
169.06635	1.9
171.04532	1.1
173.02478	1.7
174.03204	4.2
175.04028	19.5
176.01198	6.9
176.04329	0.8
177.01891	2.5
179.05646	3.1
185.06140	1.5
187.04039	1.5
189.05573	0.9
191.03487	2.0
192.00693	3.7
193.01469	2.6
197.06172	2.1
198.03210	4.4
199.04004	22.6
200.04329	1.2
201.01865	4.7
211.04027	1.8
213.05540	3.9
215.03488	1.6
217.01549	1.0
217.05034	19.7
218.05444	0.9
219.02950	1.5
223.04123	2.1
225.14755	1.0
226.02681	2.5
229.01434	1.7
239.03403	1.0
240.04276	1.2
241.05090	44.7
242.02231	2.8
242.05431	2.3
243.02988	9.3
245.01067	1.0
257.04553	2.3
273.00497	1.3
275.02042	2.9
285.04062	100.0
286.04422	7.0
300.99936	8.3
302.00787	1.0
303.01813	1.0
303.05106	1.1
313.05524	0.9
329.08838	15.9
330.09171	1.1
339.07211	9.0
355.06647	2.4
405.21375	5.3
421.11395	1.5
450.99609	1.8
465.10504	20.9
466.02744	4.2
466.10818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1042
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
58.44051	0.8
59.01384	3.3
59.74530	0.9
61.98840	6.1
67.01894	1.8
69.03473	1.7
70.00167	2.7
71.01393	8.2
73.02967	1.9
79.01920	2.6
81.03446	1.1
82.00622	1.0
83.01402	1.0
85.02967	4.1
95.01408	3.7
97.02999	1.9
99.96502	1.0
101.02444	5.7
107.01393	16.6
107.02061	1.4
107.05044	26.2
107.05727	1.8
108.02193	1.0
108.05367	1.4
109.02977	1.6
111.00914	4.5
113.02486	3.4
115.70627	0.9
123.00906	31.9
123.04589	2.7
124.01679	17.2
124.26221	1.1
125.02465	75.0
126.02865	2.1
127.00392	1.1
136.98824	1.5
137.82251	1.0
139.00406	8.1
140.01106	4.7
141.01964	7.0
151.00392	18.0
151.04054	3.4
153.01952	2.5
161.02496	1.4
164.98253	1.4
168.00671	6.5
169.01445	88.1
170.01823	3.0
179.03563	2.3
182.11671	1.0
201.01950	1.1
203.03564	1.3
209.43764	1.0
211.02385	2.1
213.64339	0.9
215.83537	1.1
229.01521	1.8
259.02805	0.9
275.02115	3.7
298.98697	1.1
299.99203	2.0
300.99878	12.7
301.99863	7.6
303.00449	7.2
303.08447	1.0
313.05695	20.2
368.97293	1.0
421.11438	73.3
422.11838	7.5
444.03674	1.3
447.09323	11.2
450.99347	3.0
465.10632	100.0
466.03235	4.0
466.10922	10.8
489.52051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1044
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
50.94821	0.4
51.60584	0.5
54.19449	0.4
59.01389	4.2
67.01902	0.6
69.03445	0.8
69.23651	1.4
69.24059	1.2
70.98690	0.4
71.01390	7.6
73.02961	1.1
75.00887	0.5
75.99811	0.4
79.01920	1.0
81.03460	1.3
83.01396	0.8
85.02966	2.3
87.00874	1.1
89.02452	0.9
91.01900	2.2
92.02702	0.8
93.03471	4.5
95.01413	1.9
97.02937	2.2
101.02464	2.9
107.01400	12.6
107.05054	0.9
108.74120	0.5
109.02958	0.4
111.00888	1.0
111.15910	0.4
113.02471	2.2
119.01418	1.3
121.02999	4.0
123.00010	0.6
123.00905	13.5
124.01690	10.1
125.02468	75.6
126.02833	1.7
127.00314	0.6
133.02972	0.7
135.04562	0.7
136.98895	0.7
137.02466	9.5
137.09793	0.5
139.00412	1.9
139.04022	1.4
140.01192	1.6
141.01952	2.0
144.15794	0.5
151.00404	10.1
151.04033	27.6
152.04327	1.3
155.10780	2.0
156.11165	0.9
161.04594	0.6
167.03566	0.7
168.00693	4.8
169.01451	100.0
170.01764	3.5
179.03468	1.0
183.03046	2.7
193.01407	0.7
209.11905	0.7
211.02492	2.0
223.02437	0.7
241.03584	2.4
253.03490	0.8
275.02399	0.5
300.99878	1.5
303.21710	0.8
313.05707	51.5
314.06064	3.4
327.07410	2.2
389.08179	0.7
406.09052	0.7
412.68735	0.5
421.11465	1.1
433.07816	1.5
438.03226	0.5
449.50711	0.5
464.22232	1.9
465.10428	96.6
465.27997	2.9
466.10818	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	465.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
67.54639	0.4
69.03432	0.5
69.37653	1.2
69.38050	0.9
71.01385	4.3
73.02952	0.8
81.03464	0.4
82.00596	0.5
83.01393	0.5
85.02946	1.7
86.00076	0.4
89.02443	3.6
95.01398	1.6
97.02991	0.7
101.02441	2.8
107.01406	4.5
111.00861	0.5
113.02461	1.2
117.03448	0.4
119.03513	1.4
123.00893	12.1
123.04514	0.4
124.01678	9.1
125.02461	20.7
139.00388	1.1
140.01196	0.9
141.01915	1.8
151.00371	6.3
151.03864	0.4
151.06125	1.4
153.01978	0.7
156.83154	0.4
167.03432	0.5
168.00671	3.5
169.01440	24.9
170.01790	0.9
211.02489	9.6
271.01663	0.8
271.04605	13.3
272.05051	0.4
285.03970	0.6
300.99683	0.6
307.72842	0.5
313.05649	1.9
331.06573	0.9
341.47708	0.4
465.12509	100.0
466.12851	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56329	4.2
57.03450	7.0
58.90668	4.9
59.01385	100.0
69.30813	23.3
71.01398	44.5
73.02948	25.6
83.01403	5.4
83.25695	5.0
85.02963	13.3
87.00871	4.2
89.02441	34.4
89.91735	4.9
92.37341	4.6
95.01374	10.5
96.96001	5.2
99.00845	4.9
101.02462	34.4
107.01387	10.8
109.34967	4.4
111.00881	6.3
113.02454	19.1
119.03519	7.9
123.00877	22.4
124.01695	13.2
125.02451	76.2
131.03506	8.7
133.02998	4.2
134.61282	4.0
134.62334	4.1
135.04538	12.1
137.02431	5.3
139.00407	5.7
144.60315	4.4
145.02988	4.6
151.00372	7.1
151.03981	13.4
161.02463	7.2
161.04561	8.8
166.99928	8.6
167.60341	4.5
168.00681	6.3
169.01447	78.1
170.01859	4.5
184.93266	4.9
202.02588	4.9
211.02481	9.2
217.01297	8.0
221.17166	3.9
225.11391	6.3
229.01489	12.5
243.16048	11.6
275.01779	7.3
285.04172	7.2
285.97849	6.1
299.99265	6.7
300.99945	36.5
301.99780	7.6
303.00293	7.2
313.05573	14.6
333.19012	7.3
448.01773	6.7
465.05060	7.7
465.10120	14.5
465.23227	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1769
Annotation	Plagiochilin D
Peak:m/z	Relative Intensity
56.87365	1.0
57.03450	1.8
59.01378	4.3
61.40102	0.9
61.98830	1.0
69.03457	2.1
71.01393	3.8
73.02962	1.3
77.84885	0.9
79.76527	0.9
85.02950	1.3
87.00890	34.3
97.06625	1.7
98.22694	2.0
101.02452	3.1
107.26516	1.0
110.44016	0.9
113.02435	1.3
119.05007	1.3
121.03011	2.0
122.03747	4.1
123.00941	1.5
124.01680	1.5
125.02430	4.3
130.99875	8.2
135.04572	1.2
137.06099	2.0
145.01433	1.7
146.03749	7.6
147.04529	5.7
148.04085	4.9
150.05556	2.3
159.04471	2.8
160.05278	2.3
161.02335	1.4
161.04646	1.1
161.06090	2.7
162.06856	1.4
163.04044	1.7
163.07677	1.2
164.04666	1.2
169.01460	5.0
172.05310	4.8
173.06148	5.1
173.11845	2.8
174.03212	2.1
174.06842	2.4
175.03986	7.2
175.07607	1.2
183.13890	1.9
184.14339	1.9
185.06110	1.5
186.06885	4.4
187.04147	1.6
187.07669	2.3
188.04800	2.8
189.05585	3.7
190.06372	8.9
192.04300	1.3
199.04008	1.3
200.04799	8.0
201.05603	2.0
201.09157	1.1
207.65079	1.2
211.13416	6.6
214.06358	1.6
215.07239	2.0
228.08055	1.3
233.04086	1.1
243.13876	1.2
245.11858	1.3
245.15434	1.8
246.15909	1.4
247.16515	1.2
248.17429	1.7
254.04318	3.4
257.09445	1.1
259.13391	1.4
263.16522	4.9
264.16895	6.6
265.17224	2.7
271.10602	1.4
271.13422	15.0
275.01959	1.2
285.14868	1.5
287.16599	2.7
289.14548	5.8
289.17670	1.3
297.14987	9.3
298.15210	1.6
299.12955	5.5
299.16122	1.1
300.13681	1.4
300.99878	3.3
301.14633	1.9
315.16037	20.8
316.10590	1.3
316.16431	1.4
317.13959	3.7
323.16507	2.0
325.14438	16.9
326.14716	1.1
331.15506	2.6
331.19229	1.3
333.17120	4.0
341.17587	4.4
343.15491	15.2
344.15677	1.4
357.17191	1.4
359.14819	1.8
361.16595	5.0
367.15558	2.0
369.13080	1.7
375.18085	1.9
385.16473	2.5
387.14658	6.5
403.17590	2.3
405.08295	1.0
405.15524	2.0
406.08865	2.8
422.20969	2.9
429.15723	2.3
447.16595	12.7
448.16965	1.4
464.30988	4.0
465.17654	100.0
465.31854	8.1
466.18704	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35475	0.2
53.96181	0.2
60.50744	0.2
65.03964	0.7
69.03439	0.2
69.27729	0.4
69.28128	0.7
71.01385	0.3
83.19997	0.2
93.03468	66.7
94.03802	1.7
98.22633	0.4
115.20595	0.2
125.02423	0.2
137.02464	100.0
138.02800	3.0
139.11244	0.5
153.46204	0.2
169.01411	0.3
183.10304	1.8
242.33424	0.2
398.81601	0.2
465.17841	1.1
465.32339	1.1
474.61847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	10.1
59.01385	57.8
61.01817	1.4
68.78384	1.3
69.03455	13.2
71.01388	27.2
71.05039	3.4
73.02949	3.2
83.01386	2.7
85.02963	7.8
85.03403	1.4
87.00891	13.5
89.02454	33.8
95.01383	3.3
97.06577	3.0
98.22666	2.6
101.02460	15.1
104.67635	1.5
107.05071	1.9
113.02459	13.6
114.02812	1.7
119.03540	14.5
119.05020	19.2
125.02463	4.0
127.07652	3.7
130.84720	1.4
131.03522	1.7
131.51962	1.3
135.04529	5.7
137.06082	4.0
139.11307	28.9
143.03479	2.8
148.04060	1.4
149.04509	1.4
152.28563	1.3
161.04498	2.9
163.07671	1.5
165.09206	1.7
169.01378	3.1
173.06117	5.3
177.72787	1.3
179.05594	5.1
183.10280	100.0
184.10619	4.4
187.07698	3.0
190.99799	1.8
191.07100	2.8
199.04021	2.1
199.07678	1.5
203.07178	1.6
215.07127	2.5
215.10788	2.1
217.08702	1.9
218.09328	2.3
225.11285	2.6
227.07149	2.2
228.08000	2.7
229.08649	1.9
237.04918	1.6
243.06493	2.0
243.10298	2.4
271.13388	5.0
281.10327	2.9
287.16519	1.7
299.11401	14.8
300.99890	2.7
303.19327	4.1
315.16068	4.2
321.20676	3.5
325.14645	2.1
387.14560	2.5
405.08102	2.7
406.09039	11.1
447.16525	11.3
447.31046	2.0
448.16898	1.6
465.17456	40.7
465.32016	5.8
466.18582	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	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03455	1.0
58.00600	0.9
59.01384	96.1
60.01730	1.0
61.98826	2.5
69.03438	0.9
71.01389	56.0
72.01747	0.7
72.99326	2.6
73.02953	20.7
83.01402	2.6
85.02958	7.8
87.00883	2.0
89.02454	100.0
90.02787	1.2
93.03451	0.7
95.01395	1.7
95.27550	0.7
97.02973	1.4
99.00893	26.3
100.01264	0.6
101.02457	39.6
107.01418	1.6
108.02180	1.1
109.02959	0.7
113.02459	15.0
114.02785	0.9
115.04023	1.1
119.03515	12.5
119.05011	0.8
122.07755	0.6
123.00912	1.1
123.04501	0.7
124.01687	1.5
125.02470	8.0
127.03979	0.8
131.03506	18.3
133.69229	0.7
137.02444	1.1
139.00394	0.8
143.03523	2.0
149.04568	63.3
150.03268	0.8
150.04922	1.7
151.00403	5.0
151.04028	8.5
152.01131	1.7
153.01936	1.4
161.04547	3.3
164.01042	0.6
169.01440	2.4
179.05624	4.7
191.05608	14.8
221.06679	2.1
224.99341	2.6
229.01558	0.9
229.14404	0.9
233.06628	1.2
251.07776	5.6
275.01944	1.4
275.07983	0.7
293.08835	1.3
300.99948	2.4
303.05075	1.1
303.08746	1.9
311.09946	1.3
313.05914	1.2
313.09424	1.4
333.90112	0.8
386.86267	0.7
447.01913	1.2
465.08929	1.3
465.14163	2.6
465.23459	34.7
466.02496	2.0
466.23624	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.8
59.01385	100.0
60.01721	1.0
69.19532	4.8
71.01387	17.8
73.02933	1.3
85.02963	3.2
87.00875	1.1
89.02454	28.7
95.01400	1.5
96.96011	0.9
100.07042	0.7
101.02457	10.8
112.05281	0.9
113.02466	7.0
119.03521	12.2
125.02468	1.2
131.03503	1.6
134.07393	0.9
135.08093	1.2
137.09747	1.3
139.07568	1.0
143.03487	3.4
149.04556	0.9
149.09732	14.9
149.61436	0.7
153.09258	5.1
161.04562	6.7
167.10783	31.0
169.01575	0.8
179.05650	10.6
203.03442	0.9
225.14963	5.4
243.16060	5.1
300.99765	1.7
400.56732	0.7
405.21359	21.4
406.21375	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	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
57.03454	7.5
59.01385	65.8
60.12019	1.0
65.00325	1.3
69.03465	19.7
71.01391	33.7
71.01793	1.8
71.02197	1.1
73.02950	8.5
75.00874	1.7
79.89053	0.9
82.99045	0.9
83.01383	3.8
85.02963	14.0
87.00874	1.8
87.04516	8.9
89.02456	15.8
95.01403	4.7
96.96021	8.5
97.02985	1.6
98.21879	2.0
99.00898	2.6
101.02457	20.4
107.01347	1.0
109.02988	1.2
111.00885	3.8
113.02461	15.5
119.03524	7.8
123.00907	2.6
124.01681	1.7
125.02469	12.1
137.02457	3.6
138.03319	1.1
139.00406	8.5
139.07611	1.5
141.01967	2.4
143.03505	2.3
145.01424	1.6
145.03046	1.3
149.02475	4.4
149.04590	1.2
155.10771	8.0
159.03043	2.4
161.02443	2.8
161.04568	23.1
163.00410	1.3
163.11371	1.7
164.01176	1.2
164.98320	2.1
165.01938	1.6
166.02754	3.7
166.99863	2.5
167.03467	2.3
169.01419	6.3
173.02457	2.5
174.03136	1.6
175.04037	4.9
176.01202	2.4
177.01974	2.1
179.05620	3.5
185.02368	1.7
187.04048	1.4
192.00795	1.3
193.01463	1.7
199.04057	7.8
201.01924	4.4
203.03572	2.7
206.99104	1.1
207.13983	2.0
213.02039	1.7
217.01476	1.1
217.05063	5.8
225.15079	2.2
229.01427	3.7
231.03035	2.8
241.05112	10.3
243.03012	1.6
243.16025	100.0
244.16383	6.7
245.00946	2.4
247.02643	1.6
249.04271	1.8
250.41364	1.1
257.00912	3.1
257.86835	1.1
258.01694	1.6
259.02435	1.3
273.00555	3.7
275.02008	13.1
285.00485	3.2
285.04047	26.7
286.04422	1.6
298.98230	1.3
299.98868	1.4
300.99939	28.1
302.00235	1.5
329.08810	3.6
339.07199	2.4
368.02780	1.2
383.03268	3.2
405.21329	15.7
444.03018	1.1
450.99487	7.0
465.10944	6.1
466.02814	11.5
481.06223	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	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03455	1.0
58.00600	0.9
59.01384	96.1
60.01730	1.0
61.98826	2.5
69.03438	0.9
71.01389	56.0
72.01747	0.7
72.99326	2.6
73.02953	20.7
83.01402	2.6
85.02958	7.8
87.00883	2.0
89.02454	100.0
90.02787	1.2
93.03451	0.7
95.01395	1.7
95.27550	0.7
97.02973	1.4
99.00893	26.3
100.01264	0.6
101.02457	39.6
107.01418	1.6
108.02180	1.1
109.02959	0.7
113.02459	15.0
114.02785	0.9
115.04023	1.1
119.03515	12.5
119.05011	0.8
122.07755	0.6
123.00912	1.1
123.04501	0.7
124.01687	1.5
125.02470	8.0
127.03979	0.8
131.03506	18.3
133.69229	0.7
137.02444	1.1
139.00394	0.8
143.03523	2.0
149.04568	63.3
150.03268	0.8
150.04922	1.7
151.00403	5.0
151.04028	8.5
152.01131	1.7
153.01936	1.4
161.04547	3.3
164.01042	0.6
169.01440	2.4
179.05624	4.7
191.05608	14.8
221.06679	2.1
224.99341	2.6
229.01558	0.9
229.14404	0.9
233.06628	1.2
251.07776	5.6
275.01944	1.4
275.07983	0.7
293.08835	1.3
300.99948	2.4
303.05075	1.1
303.08746	1.9
311.09946	1.3
313.05914	1.2
313.09424	1.4
333.90112	0.8
386.86267	0.7
447.01913	1.2
465.08929	1.3
465.14163	2.6
465.23459	34.7
466.02496	2.0
466.23624	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	465.2647
Annotation	Wilforol A
Peak:m/z	Relative Intensity
59.01366	1.1
61.98824	0.9
62.20127	0.6
69.48589	1.5
69.48978	1.6
71.05017	2.0
78.65307	0.6
78.95914	1.5
80.18986	0.6
97.06581	1.4
114.23688	0.7
136.05316	1.8
137.09726	1.0
149.06107	1.7
150.06870	3.9
151.03972	0.9
152.04813	1.6
152.99606	1.2
153.05553	0.8
163.07564	1.3
164.04848	3.3
179.03467	1.0
181.05048	1.7
187.07724	1.2
188.08432	1.3
189.09227	2.8
201.09203	5.3
253.19348	0.7
271.20645	3.5
322.19385	4.4
323.20081	1.2
324.87296	0.8
365.21527	1.0
373.21719	1.3
391.22705	4.4
403.26428	2.9
404.23242	3.9
405.24313	2.1
406.25150	2.2
419.25867	2.7
421.26953	10.2
421.32138	1.4
465.26453	100.0
466.26825	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2645
Annotation	Wilforol A
Peak:m/z	Relative Intensity
61.84948	1.2
67.20850	1.3
81.62734	1.1
121.06644	1.7
125.23087	1.4
137.06079	2.8
149.06036	2.4
150.06882	1.8
157.55412	1.4
163.07661	13.4
187.07680	3.4
189.09200	5.1
196.98528	2.2
203.10669	6.1
205.12393	2.4
215.07220	2.3
239.08920	1.4
294.66171	1.5
309.85156	1.4
389.21539	2.0
391.26410	22.8
392.26730	1.7
393.28024	1.6
404.23541	4.6
419.25928	47.1
420.26324	5.2
421.27698	7.1
465.11511	3.5
465.26462	100.0
466.26733	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	466.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
61.98822	0.5
64.14035	0.5
67.55093	0.4
69.03445	0.7
70.26673	0.4
71.01402	3.7
73.02945	0.8
74.22913	0.5
78.50490	0.4
79.01931	0.4
81.03467	0.7
83.01396	0.7
85.02950	2.4
89.02423	0.5
95.01389	1.2
97.02959	0.7
101.02441	1.6
107.01399	5.9
111.00904	0.5
113.02480	1.1
122.03759	13.7
123.00883	6.3
124.01684	5.0
125.02458	34.0
126.02776	1.3
139.00409	0.8
140.01221	0.9
141.01906	0.7
143.04503	0.4
151.00378	4.6
152.03548	100.0
152.64949	0.4
153.03877	3.4
164.66969	0.4
168.00632	1.7
169.01443	43.8
170.01776	1.4
174.98315	0.4
211.02533	1.1
241.03627	1.2
253.03551	0.7
271.04645	0.9
301.29449	0.5
313.05676	74.1
314.06046	5.3
434.84061	0.5
466.09933	37.4
467.10062	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21074	0.9
63.08359	1.1
65.41426	1.2
69.03429	2.0
69.43652	2.3
69.44064	3.5
71.01364	4.1
73.02938	2.1
79.01879	2.5
81.03436	2.2
85.02921	2.3
95.01350	3.2
97.02917	2.9
101.02441	2.0
107.01396	10.3
108.02187	39.6
109.02970	22.8
111.00871	1.6
113.02400	2.2
123.00904	18.2
123.04541	15.7
124.01695	16.3
125.02467	52.2
135.00867	1.4
139.00314	3.3
140.01102	2.7
141.01855	3.2
151.00415	12.2
151.03973	2.5
152.01178	49.3
153.01978	15.4
153.05597	14.9
163.03946	2.4
165.01894	1.1
166.99881	1.2
168.00691	5.5
169.01448	66.4
170.01634	2.0
178.35371	1.0
193.98541	7.7
194.99144	1.5
197.23706	1.3
211.02411	1.3
225.03889	1.2
229.01163	2.0
275.01877	1.3
297.06021	2.1
300.99646	1.9
313.05612	18.7
314.05829	2.0
315.07312	15.7
401.99188	1.4
423.09372	26.1
424.09711	2.6
449.06943	2.4
467.07892	100.0
468.08313	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	467.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.7
69.41812	3.7
69.42201	2.3
71.01376	7.9
79.01902	1.9
79.02404	1.3
85.02951	3.7
89.02452	4.2
95.01386	2.7
101.02441	4.4
107.01411	12.1
108.02188	10.8
109.02988	6.8
111.00891	2.8
113.02474	5.2
113.56213	1.4
119.03527	1.6
123.00892	18.2
123.03629	1.9
123.04533	55.1
124.01675	17.0
125.02458	60.2
126.02801	2.2
127.00446	1.6
135.04536	5.3
136.04018	1.6
137.02486	1.3
139.00333	3.1
140.01205	1.4
141.01936	2.7
145.02885	1.8
151.00378	11.2
152.01138	13.0
153.01974	6.7
153.05589	56.7
154.05891	1.5
162.93532	1.6
168.00629	5.5
169.01434	81.7
170.01779	2.0
189.59560	1.4
193.98653	2.1
196.38437	1.3
211.02490	4.5
229.01262	1.6
249.28616	1.4
271.04749	3.6
275.02103	3.2
283.99606	1.6
300.99841	5.8
302.00372	1.7
313.02054	2.4
313.05673	40.0
315.07196	7.0
315.10849	5.7
357.08310	1.4
391.03156	1.6
423.09198	10.3
467.12662	100.0
468.13043	10.9
489.97571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29654	0.5
56.47437	0.5
57.03434	0.5
59.01383	25.0
60.01697	0.5
65.00359	0.4
67.01875	0.7
69.03460	0.7
71.01387	10.9
79.01884	1.2
83.01406	0.8
85.02953	2.1
89.02456	14.6
95.01398	2.4
97.02970	0.7
101.02451	10.1
107.01395	3.9
111.00892	1.4
113.02462	5.0
119.03500	5.9
123.00893	13.6
123.04542	1.6
123.27681	0.5
124.01685	11.8
125.02461	21.2
126.02774	0.8
127.00414	0.5
132.58614	0.5
135.04536	24.6
136.04915	0.6
136.98807	1.2
139.00375	1.9
140.01154	1.6
141.01952	2.2
151.00375	6.1
152.01042	0.5
153.01974	1.1
153.05597	1.7
162.12901	0.6
168.00685	4.1
168.99983	1.0
169.01437	20.7
170.01825	0.5
170.88934	0.5
195.02934	0.6
211.02496	10.8
271.04642	8.4
272.04947	0.7
273.00372	0.7
275.01910	0.7
275.26495	0.6
300.99963	1.8
302.00558	0.5
315.10901	11.8
316.11230	0.8
320.18826	0.5
467.11966	100.0
468.12244	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	467.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56352	0.5
59.01377	1.1
61.26301	0.5
69.03461	0.9
69.65388	1.4
71.01392	2.3
78.01122	0.5
85.02991	0.7
95.01405	1.2
97.02969	0.7
97.54770	0.6
101.02473	1.1
107.01410	7.5
107.05054	1.0
108.02237	0.5
111.00896	1.3
113.02472	1.1
118.26876	0.5
120.02173	1.6
123.00911	11.9
123.04538	1.0
124.01689	10.1
125.02467	43.7
126.02820	0.8
136.98859	0.6
138.03214	4.3
139.00392	1.6
139.04034	1.7
140.01181	1.5
141.01970	1.7
145.53952	0.5
150.90143	0.5
151.00403	7.5
153.04318	0.5
153.05591	20.0
168.00638	3.2
169.01447	55.8
170.01804	2.2
179.03470	0.8
183.03014	1.1
189.98874	0.5
198.24149	0.6
211.02513	1.1
241.03654	1.1
253.03503	0.6
275.01993	1.5
300.99985	1.4
313.05707	21.9
314.06125	0.6
327.07236	1.9
368.29492	0.6
422.01059	0.6
467.12006	100.0
468.12384	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	467.1201
Annotation	Glochidionolactone D
Peak:m/z	Relative Intensity
53.18139	0.6
57.03461	1.1
59.01390	10.3
61.98812	0.6
63.68761	0.6
65.00339	0.9
67.01887	1.0
69.03465	1.1
71.01394	9.6
72.27352	0.6
73.02959	4.3
77.24989	0.6
79.01874	1.1
80.91682	1.4
81.03469	1.1
82.00641	0.6
83.01403	1.1
85.02969	1.8
89.02451	7.8
95.01376	4.1
97.02948	1.3
99.00890	6.3
99.92619	1.0
101.02440	5.2
107.01399	10.7
109.02892	1.0
110.93129	0.6
111.00924	1.5
113.02470	2.7
113.99586	0.7
123.00903	17.8
123.01758	1.2
124.01699	9.3
125.02469	48.1
126.02796	0.7
127.00414	0.8
136.98820	0.7
137.02438	1.4
138.03247	17.1
139.00410	2.5
139.04039	2.5
140.01167	2.4
141.01956	2.3
145.02968	1.1
149.02472	0.6
149.04596	2.2
151.00409	9.1
153.05595	20.2
161.04565	0.7
163.03966	0.7
166.99927	0.9
167.44336	0.6
168.00697	4.3
169.01450	56.8
170.01773	1.7
179.03351	0.6
183.03024	3.4
190.02861	0.8
191.03584	1.1
191.05611	1.5
193.01505	0.6
201.01828	0.8
203.03545	0.9
211.02393	1.1
217.01488	1.1
233.73531	0.6
241.03419	0.9
257.01019	0.9
273.00287	0.6
275.02060	2.1
300.99979	6.1
302.00330	1.1
313.05698	17.5
314.05966	0.8
327.07245	2.0
389.10535	0.9
391.03091	2.8
419.14893	2.5
422.99994	1.3
467.11996	100.0
467.21289	13.1
468.12311	9.4
468.22046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37823	1.1
57.03175	2.2
57.03456	42.5
59.01387	31.3
59.85581	0.9
71.01392	8.6
73.02943	2.8
81.03468	1.3
85.02960	5.0
89.02460	4.7
93.42618	1.1
95.01406	3.1
97.02936	2.6
99.04532	20.5
101.02462	12.5
107.01395	3.7
108.48464	1.0
123.00892	9.8
124.01627	2.6
125.02458	22.0
145.07684	3.4
160.06442	12.6
161.04555	12.3
161.07224	43.0
162.07532	1.6
166.99860	3.9
168.00542	1.1
169.01447	20.0
170.01723	1.3
173.07210	1.6
173.10898	1.6
175.08774	30.3
176.09055	1.6
185.10886	2.5
187.08766	4.3
189.06709	84.3
190.07039	3.0
191.01997	1.5
201.01981	1.9
201.10355	8.4
203.08275	35.7
203.11813	8.0
209.03015	2.9
215.08348	1.2
216.65158	1.1
229.01401	2.5
229.09827	20.8
247.02628	1.5
275.01929	4.1
277.11789	2.5
299.98965	1.3
300.99942	15.4
302.00354	1.6
305.11456	81.9
306.11771	4.6
313.05496	2.4
316.03244	3.1
321.37003	1.2
323.12494	100.0
323.59470	1.1
324.13068	5.9
324.16342	1.2
360.49255	1.4
365.13632	11.6
382.02731	1.8
392.03876	7.8
422.99832	1.6
467.03531	1.6
467.16339	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	35.0
59.01084	2.5
59.01383	51.7
61.98833	6.4
68.81902	1.3
69.78513	3.5
71.01390	15.4
72.99321	1.8
73.02956	8.3
81.03482	2.0
83.01406	3.6
85.02956	14.6
85.35967	1.4
87.00890	2.7
89.02461	10.2
95.01382	2.0
96.96032	3.1
97.02970	2.9
99.04514	20.2
101.02454	20.9
102.05704	1.1
103.04023	1.7
107.01401	5.2
111.00918	2.6
113.02460	3.6
117.01430	1.3
119.03519	2.0
123.00896	7.3
124.01670	3.5
125.02465	28.9
125.09689	2.4
129.01964	1.6
129.46602	1.2
135.04527	3.2
138.02003	2.3
139.00403	1.8
145.02925	2.8
145.07706	6.6
149.02359	1.7
151.00394	1.8
154.01459	5.9
160.06444	17.1
161.04558	11.8
161.07217	48.0
163.06107	6.7
166.99858	1.7
168.00629	1.8
169.01440	24.1
173.07114	1.5
173.10858	1.9
175.08763	33.4
185.10858	2.0
187.08635	6.0
189.02037	2.5
189.06706	83.4
190.07117	3.3
191.01978	4.0
191.03546	2.1
201.02003	2.4
201.10356	9.0
203.08281	32.0
203.11864	10.5
205.07222	2.9
209.03075	8.0
211.02518	3.1
217.01480	2.5
229.01402	3.9
229.09836	20.3
231.02934	2.3
241.14577	1.4
245.00746	1.5
248.71550	1.4
249.03879	1.4
255.03087	1.3
257.00906	2.3
271.04593	2.3
271.99530	1.5
273.00394	2.0
275.01990	8.3
277.11810	2.5
298.98413	1.5
299.99203	2.3
300.99939	27.7
302.00232	3.6
302.03375	1.8
305.11426	57.0
306.11752	4.3
313.05487	4.1
314.06061	1.8
316.03345	2.1
323.12485	100.0
324.12827	4.3
339.01416	1.6
365.13531	9.1
367.00870	1.6
382.02625	1.7
391.03452	2.4
392.04062	6.5
407.19193	2.5
407.24274	1.7
422.99963	4.0
436.45740	1.8
467.03720	3.1
467.15097	4.8
467.21332	4.8
467.29340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86946	1.2
57.03451	4.3
59.01388	9.8
69.03461	6.8
71.01380	18.0
71.05045	2.0
72.99358	1.1
73.02954	4.9
83.01404	3.3
85.02959	13.1
87.00871	1.5
87.04504	1.9
89.02464	3.7
93.03439	1.2
95.01412	3.8
99.00887	2.9
101.02454	14.2
107.01445	1.4
109.64684	1.1
113.02446	8.6
121.03016	1.7
122.08760	1.1
123.00896	34.9
124.01681	100.0
125.02554	6.0
129.02008	1.3
131.03537	1.9
135.04514	2.9
137.02498	1.4
138.03275	6.2
139.04027	71.1
139.11305	19.2
140.11731	1.4
143.03476	1.5
153.01967	1.7
161.02437	2.0
161.04588	15.6
168.00418	1.3
169.01428	3.4
172.04359	1.2
183.10286	65.9
184.10658	2.6
191.01991	1.8
201.01976	1.7
225.11292	1.2
247.12970	1.4
269.17569	6.1
275.01974	1.9
283.08255	1.8
287.06848	1.8
289.16577	1.5
301.00082	2.8
324.40140	1.2
421.20782	6.6
467.19403	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	467.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73338	1.3
55.01854	1.4
56.83335	1.3
57.03456	7.1
59.01381	4.4
66.91015	1.3
69.03448	7.6
69.29326	6.0
71.01386	22.3
71.05025	3.4
72.91338	1.4
73.02943	7.7
82.06762	1.3
83.01398	2.8
84.49651	1.5
85.02954	8.0
95.01385	3.3
98.21861	3.1
99.00845	2.1
101.02449	15.5
108.19688	1.3
109.31487	1.4
111.08217	1.5
113.02458	11.3
123.00904	28.2
124.01675	100.0
125.02489	3.2
131.03621	1.4
138.03236	5.7
139.04024	68.4
139.11298	27.6
140.04216	2.0
143.03490	2.8
161.04590	21.8
166.86943	1.7
169.01462	2.7
183.10283	84.6
184.10660	2.6
223.06068	1.8
283.08264	2.3
319.55066	1.7
325.44119	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29929	0.3
52.94149	0.4
55.01869	0.5
59.01383	6.7
60.81514	0.3
67.01891	1.0
69.03452	0.5
70.89340	0.4
71.01384	4.5
72.99294	0.5
73.02979	0.4
77.74226	0.3
77.97197	0.3
79.01892	1.5
83.01376	0.9
85.02956	1.7
89.02453	1.4
95.01389	1.7
97.02966	0.8
99.00841	0.5
101.02429	1.8
107.01402	3.3
110.00123	0.7
111.00891	2.5
113.02454	0.7
119.03518	0.4
123.00895	16.2
124.01675	16.1
125.02467	17.7
125.06078	0.4
126.02840	0.5
127.00379	1.2
136.98848	1.8
136.99721	0.3
139.00380	3.9
140.01170	4.7
141.01935	3.0
151.00383	9.7
153.01942	0.7
159.68552	0.3
167.03526	0.3
168.00647	9.1
169.01440	21.7
170.01762	0.6
171.10316	1.3
174.01729	0.5
177.04063	1.0
181.01573	0.5
195.48769	0.4
201.11357	1.0
209.11858	2.6
211.02498	4.2
212.28769	0.3
225.30861	0.3
271.04498	1.8
300.99957	0.4
313.05634	0.8
335.02039	0.5
365.23087	0.4
375.21649	0.7
423.00363	0.6
449.25574	0.5
467.19235	100.0
468.19626	10.8
468.25388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10754	0.8
57.03441	1.8
59.01384	1.1
61.98827	1.6
69.17601	5.7
71.01386	2.6
83.85944	0.9
93.96465	1.0
96.02161	1.6
97.44515	0.8
98.22643	1.7
101.02463	1.3
105.07901	0.8
113.02441	1.0
124.01678	49.5
125.02455	2.6
139.04027	100.0
139.11307	4.2
140.04372	2.1
161.04605	1.5
163.03969	1.2
169.01465	2.2
183.10297	14.3
209.47192	1.1
210.64316	0.9
266.81812	0.9
283.08246	1.0
301.00208	1.1
345.72876	1.1
467.33926	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
64.60528	0.7
71.05024	2.3
71.43578	0.6
72.77636	0.7
85.75017	0.6
97.06574	1.6
99.04528	17.0
123.08178	2.1
125.02377	0.8
136.05301	1.1
137.06119	1.0
141.24370	0.7
144.22852	0.7
165.64130	0.7
169.01418	0.7
170.03276	0.8
175.71452	0.7
187.11209	0.8
205.12375	0.7
281.39407	0.8
299.20114	1.7
335.01852	0.8
367.22824	1.5
391.22879	1.6
407.25836	4.9
421.27777	3.7
422.99854	0.9
423.29166	10.8
424.28979	0.8
428.57144	0.8
467.28024	100.0
468.28296	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	467.2805
Annotation	ZHANKUIC ACID A
Peak:m/z	Relative Intensity
59.01493	0.6
59.64064	0.6
85.03029	0.6
136.05467	0.7
137.06242	2.3
149.06198	0.5
149.59677	0.5
169.01556	0.9
176.12341	0.5
241.15993	2.4
269.15610	0.7
273.22235	0.8
287.16681	2.4
301.00189	0.8
361.25494	1.8
363.26965	0.7
373.21622	1.1
375.19827	0.7
379.01370	0.6
388.24377	0.9
391.22913	3.9
393.24030	0.7
403.26331	1.9
405.24420	1.5
406.25189	2.0
407.25473	0.8
421.27518	86.3
422.27820	11.6
422.99869	0.8
423.28989	2.7
467.28003	100.0
468.28406	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	467.2805
Annotation	ZHANKUIC ACID A
Peak:m/z	Relative Intensity
60.53280	0.8
60.69326	0.9
61.98835	0.9
94.67044	0.9
115.89196	0.8
132.18054	0.7
136.05284	2.7
150.06905	4.0
160.84253	6.7
163.07697	1.8
164.04865	1.3
181.04939	1.1
189.09128	1.7
201.09201	1.9
211.13287	1.1
309.18576	1.6
322.19623	1.2
335.20187	2.5
351.85760	0.9
375.23300	7.2
389.24817	1.9
390.25629	3.0
393.24481	0.9
403.26645	2.1
405.28098	6.6
407.25839	2.3
408.26373	1.2
422.24982	1.2
423.29004	7.8
432.22928	1.4
434.24600	2.5
449.27051	13.5
450.27481	1.8
467.28043	100.0
468.03247	3.7
468.28375	13.1
469.44543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3168
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
50.16623	0.4
61.98806	0.4
69.69518	0.4
73.97811	0.4
97.02901	0.4
103.22158	0.4
135.21962	0.4
139.07657	0.4
153.97076	0.4
187.95642	0.4
285.12537	0.4
292.46780	0.5
314.09930	0.4
422.99930	0.5
467.31689	100.0
468.32040	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	469.0051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34538	0.6
62.57931	0.7
83.96959	0.6
84.18243	0.6
123.00866	1.1
131.13756	0.6
160.01640	0.8
170.33798	0.6
172.01674	1.4
173.03929	0.6
189.02121	0.6
195.04623	1.2
200.01151	1.1
201.01872	0.7
207.04465	1.1
208.72594	0.6
211.03946	0.7
216.00645	1.6
223.03914	1.2
224.04672	0.6
228.00648	1.1
229.01439	0.8
235.04025	1.1
239.03380	0.9
244.00169	1.6
245.00899	2.1
251.03488	2.5
263.03391	1.1
267.03098	1.2
269.04340	0.6
270.98846	2.0
271.99579	2.1
273.00424	2.6
275.01813	0.7
279.02951	2.1
282.98834	1.3
288.99927	0.9
291.03183	0.6
295.02484	1.6
297.00790	0.6
297.04132	0.8
298.98422	2.6
299.99139	30.1
300.99802	6.0
302.00217	0.6
307.02499	2.1
309.04031	1.2
322.01022	0.6
323.02069	2.9
324.99857	2.4
325.03378	1.3
333.00305	1.0
334.01373	0.6
335.01941	4.9
340.99567	0.8
341.03229	0.9
351.01505	5.0
352.99213	0.9
353.03149	2.2
360.99948	0.7
363.01401	1.7
364.01727	0.7
379.00931	15.2
380.01019	0.9
381.02258	1.0
389.99924	1.1
397.02005	2.4
405.99728	1.1
407.00452	21.3
408.00766	2.9
425.01535	100.0
426.02002	10.2
457.44095	0.7
469.00531	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	469.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32484	0.4
59.01398	0.6
63.53885	0.5
66.71810	0.5
69.33989	2.8
71.01369	0.9
71.07754	0.5
75.47491	0.5
76.50266	0.5
82.02993	0.7
95.01385	0.6
96.96019	1.0
96.97019	0.8
98.06100	0.6
110.29530	0.6
111.00876	4.2
123.00912	2.2
123.33426	0.6
124.01678	1.1
125.02464	2.7
127.05196	0.8
128.03574	2.9
139.00378	1.0
140.01178	1.3
143.03531	2.5
145.06184	1.0
155.03598	1.1
161.02448	0.6
168.01645	0.7
169.00140	0.5
169.01471	3.1
170.01414	0.7
172.01749	1.1
188.01205	0.6
189.02025	1.2
191.02010	0.9
195.04567	0.8
198.28159	0.6
200.01157	1.2
201.02060	0.8
209.03140	0.7
216.00656	1.3
217.01303	0.7
223.03955	0.8
228.00812	0.6
233.02899	0.6
235.04161	0.8
239.03528	0.5
242.99396	0.6
243.09833	3.7
244.00180	1.3
245.00938	1.3
251.03528	2.1
255.05157	1.2
257.01028	0.7
261.00320	0.6
267.03064	1.3
270.98770	1.8
271.01526	0.6
271.99475	0.9
273.00446	2.0
275.02179	0.7
279.03070	2.2
280.03604	0.6
281.04517	0.8
282.98843	0.8
295.02432	1.5
297.00644	0.6
297.03946	1.4
298.98294	2.0
299.99142	23.5
300.99826	6.2
302.00208	0.8
305.01059	1.3
307.02417	1.4
309.04132	0.9
314.00577	1.0
323.02142	1.6
324.99933	1.6
325.03418	1.2
333.00458	0.9
334.01096	0.8
334.98456	0.7
335.01880	3.3
341.03088	1.4
351.01578	3.6
352.99203	0.7
363.01483	1.1
369.02603	1.1
379.00943	15.7
380.01306	1.1
381.02481	1.5
397.01913	2.0
405.99890	0.7
407.00430	19.1
408.00769	2.1
425.01523	100.0
426.01913	8.7
450.98914	0.7
469.00864	3.0
469.09830	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	469.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00061	0.8
57.03465	1.0
59.01386	42.0
61.98809	1.1
62.05241	1.0
65.00333	1.2
69.03475	5.4
69.33024	0.9
71.01376	2.7
73.02961	1.7
83.01361	0.9
85.02957	3.6
89.02447	2.5
94.98035	1.0
95.01349	0.9
98.22648	2.9
99.00902	0.9
101.02445	3.8
107.01395	1.6
108.02215	1.9
108.86364	0.9
113.02466	43.0
123.00910	5.2
123.04552	2.9
124.01675	1.9
124.04878	2.5
125.02472	15.7
126.02782	2.2
127.02859	1.0
132.02167	1.6
137.02452	1.6
144.02199	2.7
145.03117	1.8
145.05083	37.7
151.00378	1.4
153.05643	4.2
154.05878	1.3
160.01695	1.4
161.02443	1.1
165.01964	9.3
169.01463	17.6
169.02843	1.9
170.01787	2.6
172.01671	10.8
173.02342	2.0
178.81735	1.0
179.03479	1.9
180.04243	5.5
185.02417	1.9
188.01175	1.4
190.02643	1.3
191.03510	1.5
195.06654	11.5
200.01146	4.0
201.01886	1.8
214.99937	1.4
216.00661	7.4
217.01407	1.1
219.03008	1.1
225.07719	6.8
226.99835	1.5
228.00671	6.3
229.01480	4.4
237.30132	1.0
242.99356	3.4
244.00105	8.6
245.00954	1.7
247.02478	3.0
254.99329	1.2
257.01044	1.8
263.11310	1.9
270.98920	11.7
271.04730	1.7
271.99612	7.6
273.00269	1.8
275.01987	3.8
276.02594	0.8
282.98898	6.6
283.99609	3.0
298.98349	29.5
299.99136	100.0
300.99884	77.3
302.00275	5.4
313.05597	7.1
314.05905	1.6
315.05975	1.5
317.03656	1.1
377.14612	3.7
392.53897	1.6
407.00537	1.2
425.01602	24.8
425.07837	1.4
425.09641	1.0
426.01764	2.4
468.12537	5.7
469.13608	10.6
469.23236	1.1
470.13004	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	469.063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22847	0.6
59.01384	4.6
61.98826	0.7
69.03447	1.5
69.20731	3.7
71.01403	1.7
80.91667	0.7
81.03465	1.4
82.95423	13.3
83.05009	1.2
85.02966	0.7
89.02467	0.9
91.05493	1.4
93.03429	1.0
96.03630	0.8
101.02425	1.2
101.03969	0.7
107.05046	1.3
113.02444	2.6
116.96008	0.8
119.05045	4.3
121.02937	0.9
123.00880	2.5
124.01673	1.0
125.02457	8.1
130.04219	0.8
132.02151	1.1
133.02956	2.0
134.03777	1.1
135.04518	2.4
137.02464	1.1
144.02118	0.9
145.02930	5.3
145.05096	2.0
146.03749	0.9
147.04524	7.3
151.00343	0.9
160.01653	1.2
161.02428	4.4
162.03204	1.0
163.04004	4.9
169.01437	11.3
170.01785	1.0
172.01625	1.9
173.02455	6.9
174.03227	3.8
175.00441	1.6
175.04028	17.8
176.01184	1.1
189.01904	2.2
190.02733	18.3
191.03510	34.9
192.03830	1.5
200.01074	1.7
201.01952	2.3
204.45583	0.7
216.00563	0.9
217.01440	4.5
218.02202	18.9
218.04205	1.4
219.02994	100.0
220.03452	6.7
229.01332	1.0
234.01741	1.2
235.02562	1.0
235.06033	0.9
243.17058	0.8
244.00186	2.2
245.00813	1.9
261.00558	0.9
262.01239	5.6
263.02002	25.4
264.02267	1.0
265.07126	5.5
270.98834	1.6
271.04721	1.2
271.99576	1.3
275.02124	1.3
282.98804	1.2
289.00027	0.8
298.98294	5.3
299.99133	24.7
300.99902	16.5
302.00278	1.7
306.00174	4.1
307.00964	28.8
308.01364	1.6
335.02295	1.1
340.99307	0.8
379.00833	2.1
381.08411	1.2
392.54102	1.2
393.04376	1.3
407.00537	2.1
425.01529	17.6
425.07254	6.7
426.01913	2.0
469.06290	72.1
469.13168	3.8
469.34113	3.5
470.06711	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	469.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17197	0.7
55.34481	0.6
57.03461	0.9
59.01375	2.0
61.98814	0.6
67.01897	0.9
69.03455	1.1
69.06071	5.4
70.38048	0.6
71.01379	2.7
78.01121	0.7
81.03462	1.3
85.02961	2.0
95.01399	2.0
97.02953	1.5
97.74078	0.7
98.21900	1.7
101.02430	0.9
107.01399	10.0
111.00897	5.6
113.02499	1.8
123.00919	9.6
124.01691	17.6
125.02464	41.7
126.02825	1.3
127.00423	1.8
136.98833	2.8
137.02495	1.2
139.00389	20.5
139.01422	1.5
139.04010	1.3
140.01180	66.8
141.02034	3.7
145.02986	0.8
151.00397	4.5
152.01181	0.8
153.02043	3.4
154.02751	5.3
155.03522	65.6
156.03830	2.6
165.01942	6.1
166.99821	0.9
167.03568	1.5
168.00656	8.1
169.01448	54.7
170.01727	2.6
175.04007	0.9
177.02003	0.9
180.04324	3.1
183.02994	1.7
185.02342	0.8
190.02621	0.8
191.03610	0.9
193.01489	0.8
195.06613	5.0
196.06966	0.8
197.04633	0.9
201.01955	0.9
204.00630	0.8
211.02516	2.0
219.02855	1.3
225.07687	1.3
241.03528	1.3
244.00162	0.9
247.02391	0.9
258.01453	0.8
263.02097	1.0
271.04630	2.9
275.02023	2.2
285.06100	0.9
297.06189	2.5
298.98618	1.3
299.99054	5.6
300.99847	5.9
302.00201	1.3
303.07227	5.5
313.05725	25.6
314.05768	1.3
315.01376	0.7
317.08795	14.2
318.08527	0.8
327.07364	0.8
351.01291	0.8
379.00946	1.5
407.00336	1.6
425.01508	8.3
469.09946	100.0
470.10266	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	469.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26461	0.3
59.01387	3.6
62.50098	0.3
69.25461	1.6
71.01399	1.0
87.00881	5.0
89.02470	0.8
91.05540	33.9
92.05865	0.7
96.95999	1.5
98.34108	0.3
101.02454	0.6
117.07117	6.9
117.24893	0.3
123.06844	0.3
125.02442	0.8
127.00131	0.3
133.06613	13.2
135.04527	1.3
141.93187	0.3
147.77612	0.3
161.06094	19.3
162.06464	0.7
163.04024	30.7
164.04315	1.0
169.01430	1.1
172.01746	0.5
179.07080	2.1
185.02226	0.8
203.02020	2.4
205.05078	1.2
218.00662	1.4
223.06129	100.0
224.06514	3.7
245.04408	0.7
270.98843	0.5
298.98267	1.2
299.99139	4.7
300.99973	3.1
302.00549	0.3
322.98120	1.1
349.05844	1.9
357.35303	0.3
357.39832	0.4
379.00787	0.5
407.00650	0.7
409.08524	0.5
425.01508	3.6
426.01944	0.5
469.11322	2.6
469.33954	0.5
470.11047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93877	0.2
57.03449	0.6
59.01385	3.8
61.98841	0.6
69.03454	0.7
71.01390	1.0
72.89648	0.2
72.94959	0.2
73.02933	0.4
79.61632	0.3
81.03439	0.3
85.02953	0.6
89.02451	0.4
91.05585	0.3
97.02968	0.3
99.04485	0.4
100.93350	0.4
101.02464	0.5
107.01357	0.2
107.05035	3.3
108.02216	0.3
109.03019	0.3
111.04522	0.3
113.02462	3.0
115.92104	0.5
116.92844	0.5
117.03443	0.4
119.03455	0.2
121.06624	0.3
123.00941	0.3
123.04533	0.4
125.02438	1.2
127.04015	1.3
131.03407	0.3
134.03745	2.9
135.04541	100.0
136.04863	3.5
145.01433	0.3
145.05124	1.3
148.04097	0.3
151.04050	1.5
153.05582	0.4
161.02405	0.3
161.04716	0.5
169.01462	0.8
179.03531	8.0
180.03813	0.3
191.03340	0.2
222.47475	0.2
298.98373	0.3
299.99246	1.1
301.00037	0.7
301.32602	0.2
323.07721	0.3
323.11441	0.2
335.01807	0.3
407.00562	0.3
425.01556	2.7
425.15250	0.2
426.01797	0.3
469.00641	0.3
469.13663	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	469.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93877	0.2
57.03449	0.6
59.01385	3.8
61.98841	0.6
69.03454	0.7
71.01390	1.0
72.89648	0.2
72.94959	0.2
73.02933	0.4
79.61632	0.3
81.03439	0.3
85.02953	0.6
89.02451	0.4
91.05585	0.3
97.02968	0.3
99.04485	0.4
100.93350	0.4
101.02464	0.5
107.01357	0.2
107.05035	3.3
108.02216	0.3
109.03019	0.3
111.04522	0.3
113.02462	3.0
115.92104	0.5
116.92844	0.5
117.03443	0.4
119.03455	0.2
121.06624	0.3
123.00941	0.3
123.04533	0.4
125.02438	1.2
127.04015	1.3
131.03407	0.3
134.03745	2.9
135.04541	100.0
136.04863	3.5
145.01433	0.3
145.05124	1.3
148.04097	0.3
151.04050	1.5
153.05582	0.4
161.02405	0.3
161.04716	0.5
169.01462	0.8
179.03531	8.0
180.03813	0.3
191.03340	0.2
222.47475	0.2
298.98373	0.3
299.99246	1.1
301.00037	0.7
301.32602	0.2
323.07721	0.3
323.11441	0.2
335.01807	0.3
407.00562	0.3
425.01556	2.7
425.15250	0.2
426.01797	0.3
469.00641	0.3
469.13663	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	469.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28030	10.7
58.52214	10.5
59.01390	100.0
61.98836	14.9
71.01399	30.6
71.42336	11.7
72.40531	10.5
73.02966	20.4
75.97187	10.7
89.02451	68.4
95.55585	10.4
100.36353	11.3
101.02470	38.5
111.73595	10.5
113.02493	20.1
125.02456	29.5
145.02966	10.7
149.04564	44.2
155.73848	11.3
169.01436	20.4
271.02374	14.1
299.99130	38.0
300.99890	43.6
322.98007	14.6
392.19934	11.7
425.01483	68.7
433.20828	38.6
469.18369	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	95.2
61.98828	3.0
67.01893	1.5
69.01876	1.1
69.03461	12.1
69.51622	2.6
69.52008	2.9
71.01392	5.4
73.02955	2.1
77.71300	1.1
85.02934	7.0
89.02449	2.5
94.98099	2.0
95.01391	1.8
101.02449	4.1
107.01417	4.3
108.15377	1.3
113.02468	100.0
114.02775	2.8
119.07143	2.0
123.00895	4.8
124.01728	2.9
125.02476	20.3
126.02746	1.3
135.04482	1.5
137.02457	3.6
144.02209	1.9
145.05087	77.5
146.05421	1.7
149.02473	1.4
151.00389	2.1
160.01703	1.8
165.01950	21.2
169.01445	29.4
170.01787	2.8
170.32910	1.3
172.01704	6.8
173.02458	2.3
179.03513	2.7
180.04292	15.7
187.00375	1.5
189.01886	2.2
191.03410	1.3
195.06668	23.2
196.07031	1.4
200.01167	3.0
210.05368	2.9
211.02533	1.7
216.00615	4.3
217.01311	1.5
219.03033	1.5
225.07642	13.1
228.00708	5.0
229.01424	4.2
242.99306	2.4
244.00180	6.8
245.01060	1.9
247.02367	3.2
257.00922	1.8
258.01541	1.5
260.02713	1.1
263.11310	2.7
265.07269	1.7
270.98895	13.8
271.04596	4.1
271.99545	6.6
273.00104	1.6
275.01889	6.3
276.02298	2.4
281.12491	1.5
282.98849	4.5
283.99692	1.3
298.98352	21.6
299.99149	95.4
300.99893	72.9
302.00302	6.6
313.05652	12.2
316.53159	1.8
377.14600	9.4
379.01343	1.2
392.54089	3.7
393.03806	1.5
425.01563	20.5
426.01962	1.4
469.12927	9.3
470.13174	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	469.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	78.7
61.02407	0.8
68.22628	0.8
69.42547	3.8
71.01389	13.7
72.99315	0.8
73.02977	1.0
82.73109	0.8
85.02975	1.5
89.02453	20.3
95.01371	1.1
101.02439	5.8
113.02456	4.7
119.03515	6.6
125.02514	0.9
143.03519	1.5
149.04532	1.3
161.04675	1.3
175.47531	0.8
179.05617	3.5
186.06825	1.8
201.12810	5.7
213.09253	1.6
214.10069	3.0
225.07692	1.2
229.12344	100.0
230.12759	6.6
247.13150	0.8
299.99377	1.2
425.01459	2.3
469.19724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92595	0.5
57.03464	0.8
58.87852	0.6
59.01384	100.0
69.03484	1.1
69.36216	3.2
71.01395	12.0
73.02951	1.7
74.36708	0.6
74.64512	0.5
78.39111	0.6
79.01925	0.6
80.91668	0.7
82.68993	0.6
83.01376	1.0
85.02950	4.2
87.00877	6.4
89.02454	14.0
89.03011	1.0
95.01402	1.5
96.96020	1.2
97.02988	0.7
99.00869	0.7
101.02448	5.8
107.01416	1.6
111.00893	0.8
113.02471	6.0
119.03537	4.5
123.00912	1.8
124.01691	2.1
125.02466	17.8
126.02813	1.5
129.01979	0.9
131.03555	1.2
134.03764	1.2
143.03571	1.0
151.00331	1.0
161.04631	1.9
166.99976	0.9
168.00758	0.8
169.01447	21.8
170.01839	2.2
173.06136	2.4
179.05708	1.8
187.07747	2.6
187.11375	1.1
187.13405	0.6
193.05122	0.8
211.02464	1.1
211.11447	0.7
229.12357	29.9
230.12842	1.6
247.13466	2.3
270.99210	0.7
271.04745	0.7
271.13516	1.1
275.02087	1.3
292.40707	0.6
298.98599	0.9
299.99118	4.1
300.99924	7.7
302.00186	2.9
313.05661	0.7
317.04218	0.8
392.54095	1.0
393.04706	1.7
407.00369	0.9
425.01559	5.4
469.05792	0.8
469.13782	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	469.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87702	8.6
59.01397	19.4
61.98831	11.8
75.40106	10.7
89.02426	10.3
89.61637	7.9
123.00912	13.9
125.02436	33.5
125.88742	9.5
151.00381	12.3
155.25296	10.9
169.01431	37.5
218.02103	14.0
274.01334	15.7
275.02029	55.2
298.98276	13.4
299.99091	36.6
300.99921	33.9
321.43936	10.2
335.02155	10.1
392.60355	9.9
424.13144	9.2
425.01431	49.4
431.86496	9.8
469.04373	66.7
469.16794	23.5
469.22510	100.0
470.22531	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2961
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
62.42707	1.0
73.20945	0.9
75.89909	0.8
98.22793	1.9
118.49988	0.8
128.56165	0.8
160.84277	2.2
164.83603	5.3
194.69844	0.9
222.85269	0.9
240.97855	0.9
299.99075	1.3
425.01358	1.8
469.29520	100.0
470.29907	11.6
480.92023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2963
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
51.16071	1.0
69.30765	5.3
71.05023	2.0
79.86485	0.9
114.21001	1.1
121.86044	1.0
153.90245	1.1
156.40010	1.2
192.85939	1.1
299.99063	3.4
300.99707	2.3
363.26837	1.2
391.26520	1.9
405.27805	2.0
407.00214	2.2
407.29416	4.5
409.26974	1.6
409.31641	1.8
425.01520	11.4
425.34610	11.0
426.01746	2.5
448.87833	1.0
451.28439	24.7
452.28775	2.3
469.28915	100.0
470.29202	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	469.2963
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
50.21144	0.2
60.12063	0.2
64.88292	0.2
68.25777	0.2
71.05033	1.2
86.82954	0.2
98.22703	0.5
110.69417	0.2
139.83266	0.2
141.38254	0.2
159.12555	0.2
206.34978	0.2
253.09071	0.2
299.99228	0.6
300.99884	0.4
305.82516	0.2
375.26913	1.2
377.28564	0.4
379.00751	0.3
407.00449	0.4
425.01627	1.2
469.29605	100.0
470.29953	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	469.3325
Annotation	Melianone
Peak:m/z	Relative Intensity
61.98816	2.3
62.03827	1.8
78.95898	2.0
90.70687	1.6
92.09633	2.0
92.92808	2.2
115.66290	2.1
152.82355	1.8
295.92252	1.9
299.99106	5.5
301.00018	2.9
393.27460	2.6
407.00592	2.1
407.29681	4.9
409.31152	2.9
423.32703	64.5
424.32980	7.8
425.01630	7.0
425.34912	2.5
469.33286	100.0
470.33771	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3325
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.63527	0.3
53.21733	0.2
59.89921	0.2
60.89588	0.2
62.72497	0.2
69.90016	0.7
81.45618	0.2
84.70407	0.2
115.24971	0.2
127.68929	0.2
205.70723	0.2
295.84488	0.2
299.99088	0.4
379.01111	0.3
421.31027	0.3
423.32520	0.5
425.01657	1.1
469.33255	100.0
470.33618	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	469.3327
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
69.16911	1.5
71.05014	1.4
90.85928	0.2
95.05048	0.4
111.93016	0.2
147.08585	0.2
299.53445	0.3
299.98965	0.5
300.99945	0.3
308.35114	0.2
347.23322	0.2
373.39362	0.3
405.31610	1.0
425.01541	1.0
444.97992	0.3
469.33243	100.0
470.33569	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	469.3326
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.92796	0.5
69.87328	1.4
69.87679	0.9
71.05029	2.5
73.32043	0.5
85.02946	1.3
86.01757	0.5
95.64610	0.6
126.86175	0.5
138.56464	0.6
184.98988	0.6
239.99561	0.5
246.55421	0.5
251.80890	0.5
405.31625	1.1
407.33185	2.9
409.31079	1.9
425.01517	1.7
425.34338	1.2
439.32065	0.6
448.26062	0.7
451.32239	10.7
452.32819	1.5
469.33255	100.0
470.33578	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	471.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04308	0.3
59.01079	0.5
59.01379	7.7
64.97042	0.3
68.99798	0.3
70.93825	0.6
71.01382	0.8
72.77718	0.3
79.95744	11.2
80.96528	3.9
83.08811	0.3
89.02426	0.6
94.98096	1.1
95.95245	7.7
95.95823	0.6
96.96017	100.0
97.95979	0.5
107.01371	0.5
108.02183	1.8
110.97595	0.7
117.09254	0.3
119.05033	0.8
122.97588	7.6
123.00910	0.8
123.04562	0.9
124.01672	1.3
125.02454	2.3
128.65396	0.3
134.03766	0.4
135.04530	4.3
136.05307	3.2
137.02440	0.6
140.01039	0.4
149.02420	0.3
150.03250	2.2
151.00403	0.5
151.04018	0.9
151.07658	1.2
152.14301	0.4
162.03290	1.8
163.04039	1.2
165.05556	1.7
168.00674	0.9
169.01434	2.8
177.05597	1.1
195.06630	9.0
199.27826	0.4
211.02527	2.9
232.31914	0.4
242.99767	0.5
245.01276	0.4
258.02045	2.3
271.04596	4.3
275.02325	15.2
275.53088	0.3
276.02521	0.7
331.06641	0.6
382.74057	0.4
471.09644	42.0
472.09982	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	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79389	1.1
57.03460	2.2
59.01387	17.5
67.01891	2.0
67.50896	0.9
69.03450	1.2
71.01384	8.8
71.43356	0.8
72.99326	1.1
73.02981	1.4
75.00865	1.0
76.89522	0.8
79.01891	3.1
83.01424	1.6
85.02969	2.6
89.02438	1.8
95.01401	3.7
96.96016	1.2
97.02970	2.8
101.02454	4.3
107.01401	13.4
111.00896	1.9
113.02463	2.9
117.41334	1.0
123.00900	40.9
124.01717	8.8
125.02464	48.8
126.02740	1.1
127.00376	1.2
136.98805	0.9
137.02431	2.1
137.06079	1.5
139.00365	5.2
139.04073	1.1
140.01140	2.7
141.01938	7.2
151.00381	27.1
153.01921	2.8
157.08713	9.9
159.57678	0.9
165.01949	2.4
167.03506	2.5
168.00671	6.5
168.01912	1.1
169.01437	69.0
170.01770	1.9
171.10289	16.9
171.25299	0.9
172.10588	1.0
178.83592	0.9
178.99919	1.1
183.03024	1.8
183.04819	0.8
193.01459	8.9
199.09651	2.4
210.25166	0.8
211.02477	9.7
217.16621	0.8
253.03560	2.1
271.04468	1.1
301.03424	1.2
309.09824	2.0
313.05731	5.4
319.04443	1.5
351.10977	1.2
411.13046	1.5
435.22180	2.4
471.14316	100.0
472.14410	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	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03437	0.8
59.01389	7.4
63.04038	0.5
63.93259	0.5
65.00327	0.6
67.01907	1.2
69.03463	0.9
69.41350	1.0
69.41742	1.3
71.01383	4.9
73.02935	1.3
78.95928	0.8
79.01913	1.4
83.01350	0.6
84.33244	0.5
85.02953	2.5
87.00864	0.5
89.02483	3.0
95.01370	2.2
96.96013	1.0
101.02447	2.2
103.38001	0.5
103.76031	0.5
107.01395	5.2
111.00894	1.0
113.02466	2.2
116.92822	0.8
119.03526	0.8
123.00906	18.9
124.01691	7.6
125.02462	21.3
126.02812	0.7
136.98849	0.7
139.00328	2.7
139.04010	0.6
139.07635	0.5
140.01157	2.2
141.01932	2.8
150.99170	0.8
151.00381	12.0
153.01872	0.8
163.04103	0.7
168.00659	3.0
169.01445	24.2
179.03511	0.9
181.96136	0.5
211.02492	3.6
271.04709	2.6
299.98993	0.7
300.99710	1.1
302.00208	0.6
313.05664	1.8
321.98035	0.7
379.39041	0.7
471.01666	3.1
471.15121	100.0
472.15518	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	471.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25406	10.6
51.85829	7.5
56.91901	8.1
59.01388	100.0
61.98805	9.0
71.01382	51.0
73.02946	21.2
78.95907	21.3
80.43081	6.9
85.02962	10.5
86.37382	8.2
89.02450	70.2
96.96003	9.2
99.00891	21.5
101.02430	34.4
111.55923	8.0
113.02449	17.7
119.03568	10.9
125.02457	13.7
131.03488	8.5
135.04529	87.4
149.04564	35.8
165.52579	7.8
180.37723	7.0
191.05669	9.9
345.82101	9.4
374.26718	8.2
395.94656	7.9
435.22363	81.1
471.19699	38.8
471.31094	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	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86457	0.4
59.01384	100.0
60.01723	1.1
71.01393	2.1
72.26572	0.4
73.02951	1.1
85.02977	0.4
89.02470	1.2
96.96072	0.4
99.00889	0.7
99.04553	0.5
100.93353	0.4
101.02469	1.4
107.01434	1.4
113.02490	1.4
116.92143	0.6
116.92851	2.4
117.92911	1.4
118.92638	1.9
118.93422	0.5
119.03519	0.6
123.00890	2.6
124.01697	1.7
125.02462	6.4
128.50279	0.4
140.01167	0.5
141.01979	0.6
145.01482	0.9
151.00414	2.2
157.08673	0.4
163.02565	1.5
167.03622	0.5
168.00732	0.8
169.01448	10.2
171.10306	0.5
211.02544	1.0
245.41843	0.4
254.56448	0.3
271.04648	1.2
299.99139	0.5
313.05762	3.0
343.91269	0.4
420.30499	0.5
471.14914	5.1
471.19406	4.4
472.14572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.7
58.00620	0.8
59.01382	52.7
71.01385	23.2
73.02953	2.0
75.00877	0.6
75.34593	0.5
80.35291	0.5
83.01409	1.3
83.05029	6.1
85.02950	6.1
87.00858	1.2
89.02450	20.0
95.01409	1.9
97.06602	1.9
98.07146	0.6
101.02447	10.3
111.08189	1.8
113.02458	6.5
119.03513	6.9
123.08173	0.7
125.09750	1.0
136.03207	0.5
143.03535	0.9
161.04515	0.8
165.12848	15.1
166.13211	0.7
167.14415	1.2
179.05634	1.7
183.13907	100.0
184.14246	4.2
197.15466	19.2
201.11310	0.6
207.13931	1.5
209.11865	3.8
215.14441	0.7
217.16060	0.7
225.14931	4.3
227.12877	4.8
295.20654	0.9
297.22226	7.6
351.23169	0.8
352.13202	0.7
365.24567	1.2
367.26410	7.4
368.26721	0.8
381.28003	23.3
382.28320	2.1
383.29483	6.4
384.29807	1.0
427.23044	1.1
427.28497	17.4
428.28754	1.8
453.24982	0.7
471.26422	88.2
471.34189	2.8
472.26840	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	471.3121
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
52.94063	0.9
54.81565	0.8
57.09176	0.9
62.35777	0.7
68.62709	0.8
69.46239	3.6
71.05016	2.5
98.22665	1.3
139.26694	0.9
157.76421	0.9
159.41312	1.1
182.30388	0.9
224.79231	0.9
260.71957	0.9
295.57932	0.9
347.72873	0.8
409.31067	1.4
411.28870	2.3
423.28986	1.7
427.31943	1.2
453.30069	13.4
471.31076	100.0
472.31396	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	471.3118
Annotation	Comnostin D
Peak:m/z	Relative Intensity
59.01374	5.0
60.83635	1.6
67.72320	1.7
69.12142	1.9
69.39594	3.4
69.39978	4.8
75.39679	1.6
83.05005	2.0
96.96014	2.8
98.22683	2.3
116.77203	1.6
123.08134	3.5
127.60632	1.7
185.86830	2.1
191.62309	1.9
241.70712	1.6
294.21252	2.2
371.25922	3.9
407.29391	2.7
425.30405	5.1
427.32214	9.8
471.31058	100.0
472.31738	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.312
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
66.41257	0.2
69.96078	0.4
69.96432	0.4
73.02943	0.3
80.96572	0.2
101.70376	0.2
182.72873	0.2
397.16248	0.2
405.28012	0.4
407.29282	0.3
425.30655	0.7
428.49405	0.2
471.31107	100.0
472.31497	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	471.3121
Annotation	Comnostin D
Peak:m/z	Relative Intensity
70.97148	0.4
73.02956	0.5
97.55730	0.3
363.27182	0.4
377.28595	0.3
393.27969	0.9
395.29483	0.5
413.61133	0.3
471.31186	100.0
472.31540	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	Odoratone
Peak:m/z	Relative Intensity
55.22514	0.4
63.44526	0.5
69.43766	0.9
69.44154	1.1
78.19517	0.4
80.16274	0.4
86.60663	0.4
100.03549	0.4
105.01676	0.4
118.72855	0.4
144.78290	0.5
295.87375	0.5
353.70361	0.5
391.30203	0.5
407.33112	3.4
453.34003	0.5
469.33429	0.6
471.34824	100.0
472.35190	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	471.3499
Annotation	Hispidone
Peak:m/z	Relative Intensity
63.96013	0.6
69.09064	0.5
69.12257	0.5
97.06616	0.9
98.21786	1.1
140.86493	0.5
163.68834	0.5
192.46834	0.6
214.70668	0.5
391.29977	1.5
405.31747	1.7
407.33234	2.3
426.76801	0.6
441.33524	0.8
451.32132	3.8
453.33878	13.0
454.34195	2.3
471.34891	100.0
472.35129	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
80.08237	0.4
84.31280	0.4
84.55861	0.3
98.22651	1.1
132.31557	0.4
332.35132	0.3
398.53830	0.4
407.33319	0.7
409.58356	0.4
415.08087	0.4
441.33472	0.4
471.34824	100.0
472.35168	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
68.44814	1.3
72.36440	1.4
98.21904	4.5
121.88323	1.5
186.07791	1.6
192.38121	1.7
250.18372	1.6
284.89774	1.5
292.73343	1.5
471.34811	100.0
472.35162	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	471.3483
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01368	1.2
69.07412	3.1
98.21876	0.9
127.30118	0.4
140.54152	0.4
152.23505	0.5
471.34827	100.0
472.35150	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	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
56.84428	0.3
56.94101	0.3
71.03787	0.4
74.61825	0.3
81.01955	0.3
198.85588	0.3
246.41168	0.3
263.57538	0.4
311.38226	0.3
471.34821	100.0
472.35199	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87633	0.2
58.00599	0.2
58.59982	0.2
61.05367	0.2
68.20882	0.2
152.84007	0.2
286.09576	0.2
294.27338	0.2
393.31705	0.6
423.32822	1.1
471.34821	100.0
472.35172	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74709	0.2
59.04686	0.2
69.91656	0.7
88.21796	0.2
128.19279	0.2
133.72102	0.2
212.25226	0.2
312.65884	0.2
451.04370	0.2
471.34811	100.0
472.35153	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	471.3482
Annotation	triptocallic acid D
Peak:m/z	Relative Intensity
53.36567	1.5
60.99301	5.4
69.03463	8.2
71.05030	2.4
80.02717	1.9
98.21848	2.8
137.09734	2.7
150.34044	1.4
161.20242	1.5
190.57823	1.5
375.26944	2.6
377.28644	2.4
390.50150	1.8
391.30130	14.0
392.30185	2.2
393.31647	3.7
407.33206	100.0
408.33383	11.5
409.34787	19.3
410.35068	1.9
411.32507	2.6
423.32803	3.7
427.35944	12.2
441.33704	10.5
442.33878	2.4
453.34036	7.2
471.35425	65.4
472.36026	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	472.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55408	0.1
53.49255	0.1
59.01386	1.7
61.98830	0.1
68.02541	24.6
69.02859	0.2
71.01385	1.4
73.02966	0.4
83.01393	0.4
85.02954	0.6
89.02452	0.8
91.01891	0.2
99.00903	0.3
99.04523	0.2
101.02460	1.1
113.02449	0.8
119.03535	0.4
126.99577	100.0
127.99904	2.3
128.00746	0.2
135.54480	0.1
151.99052	0.3
161.04573	0.5
171.01714	0.1
179.05634	0.2
208.02817	0.3
211.05164	0.1
275.11386	1.2
301.24759	0.1
403.11319	0.3
410.16876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66032	3.5
59.01385	98.4
60.11209	3.1
71.01384	30.5
73.02950	36.8
79.95732	12.2
83.01405	3.4
85.02951	11.8
87.00870	8.8
89.02444	30.7
94.98080	3.0
95.95238	7.5
96.96024	100.0
97.95973	4.8
98.21870	10.2
98.95611	7.3
99.00894	6.5
99.12518	3.0
101.02457	50.5
103.04000	22.0
113.02457	7.2
115.04059	3.8
115.62376	2.9
119.03509	11.7
122.97594	5.7
123.00895	6.5
125.02449	7.7
126.02754	3.7
131.03500	6.9
135.04555	6.7
143.03526	9.3
145.01440	10.8
145.05070	7.5
146.01801	4.8
146.08249	9.1
147.04472	3.8
149.02446	7.0
161.04570	6.0
163.02446	11.7
163.03999	3.5
163.06136	76.2
169.01424	8.6
179.03609	3.4
195.06638	6.5
196.07050	6.4
205.07211	23.4
215.26610	3.2
225.14896	3.9
233.97694	3.3
265.09332	7.7
272.05118	3.5
275.02298	7.7
276.02475	4.7
378.60391	3.8
429.17938	5.6
472.09976	54.5
472.15585	4.9
473.09772	10.0
473.17279	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07053	1.0
55.84960	0.9
58.18219	0.8
59.01380	5.5
59.01628	1.0
69.15218	6.0
71.01374	2.2
75.00869	4.8
87.00886	1.8
90.63467	0.9
95.01418	1.1
97.02992	1.7
99.00875	1.2
99.04533	1.6
101.02448	0.8
101.41298	0.9
107.04955	1.2
109.02966	24.8
110.03289	0.9
111.00887	2.3
121.02974	1.9
125.02494	1.6
133.03000	2.9
134.03691	1.7
135.04536	100.0
136.04863	3.4
139.04044	0.9
147.04478	1.2
148.05313	2.2
149.06094	31.9
150.06406	1.5
151.04037	1.1
151.07634	3.1
159.04550	1.7
161.02435	5.4
161.06122	5.1
162.03319	0.9
163.03983	1.2
163.07640	1.5
165.05556	1.9
169.01434	1.7
173.06053	5.2
174.03230	1.8
175.03993	4.4
177.05580	13.1
178.02658	1.0
178.05934	1.3
179.03476	6.2
188.04892	1.2
189.05612	12.8
191.03491	1.4
191.07190	5.3
193.05025	2.2
195.06679	3.5
201.05591	1.0
203.03648	0.9
203.07161	2.4
205.08742	1.3
207.06604	7.3
219.06612	4.1
221.04565	26.3
221.07986	1.3
231.06650	12.9
235.06137	15.2
236.06671	1.1
239.05608	12.5
249.07764	9.0
253.07253	1.6
275.02048	1.0
281.06726	2.1
293.06830	1.0
297.09735	2.4
300.99756	1.0
311.07693	12.8
311.11322	3.0
369.11908	1.6
383.09885	4.0
393.11673	1.1
397.11639	1.5
401.10840	6.0
411.13046	2.2
413.10855	4.9
415.12329	4.9
427.01871	1.3
428.36868	1.0
429.02533	2.7
443.11914	6.5
455.12106	1.7
473.13089	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	473.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	82.0
61.98837	6.9
66.79346	4.6
67.25935	4.0
71.01383	33.1
71.09214	5.1
72.99297	15.6
78.95910	24.8
83.01430	5.0
85.02964	5.0
89.02447	17.8
93.03455	6.5
95.01398	5.7
96.96008	11.1
96.96967	29.7
99.00883	8.6
101.02447	9.0
113.02460	13.7
118.96617	33.8
119.03515	6.6
121.02988	8.1
123.00925	6.1
125.02449	7.9
132.98238	21.4
135.04527	28.4
139.85733	4.8
146.03749	6.6
156.98192	16.9
156.99809	6.6
160.97729	35.7
161.02458	6.2
162.03227	9.8
163.03975	23.9
168.98174	6.0
169.01445	7.4
170.99782	14.9
172.97659	5.7
174.99266	31.6
177.05524	5.4
178.06287	9.1
182.99756	8.5
184.97647	11.7
186.99249	13.7
189.00777	13.6
189.05579	12.0
198.99216	13.3
206.99698	7.2
210.99252	15.9
214.98727	6.0
217.00293	65.2
218.00719	6.5
229.00089	6.0
230.95113	6.8
233.98341	7.1
236.00089	8.2
246.99312	23.2
249.03894	5.0
249.97945	13.0
250.98743	5.7
251.99342	8.7
259.01346	25.6
259.99982	12.1
262.01569	16.2
272.96130	8.7
275.01968	19.7
275.99445	9.2
277.03912	35.6
281.12488	5.9
291.56396	5.0
293.03442	17.9
294.00565	16.3
295.05011	20.1
295.10376	5.3
300.99866	22.7
302.00406	6.4
305.03543	9.2
307.98569	6.7
311.04385	6.2
314.96948	11.2
323.04245	6.5
330.96072	5.0
335.04480	11.1
338.54016	6.1
347.04428	8.4
365.05389	14.1
374.99390	28.9
395.06491	21.0
413.07736	13.7
455.08804	100.0
456.08896	5.4
473.14334	77.2
474.15100	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61161	0.3
55.01873	0.5
56.95919	0.3
59.01387	5.1
61.98820	0.6
67.01895	0.7
69.03467	0.5
69.27854	1.3
70.98083	0.3
71.01391	2.9
72.93914	0.3
72.99364	0.3
73.02949	0.9
78.01120	0.3
79.01897	0.8
80.91666	0.3
82.00636	0.6
83.01396	1.1
84.38515	0.3
85.02960	1.6
86.00109	0.4
87.00906	0.4
89.02457	1.0
93.03465	0.3
95.01402	2.0
97.02962	0.7
101.02440	2.5
107.01416	3.4
110.00075	0.4
111.00915	2.0
113.02487	1.1
123.00906	16.5
124.01689	11.0
125.02466	15.4
126.02805	0.5
127.00391	0.6
129.71751	0.3
133.89873	0.3
136.98811	0.9
137.02553	0.3
139.00369	2.7
140.01215	2.6
141.01941	2.9
141.05574	0.5
145.02951	0.4
150.03372	0.3
150.99170	0.6
151.00394	11.3
153.01953	0.7
159.04468	0.3
161.02446	0.3
163.04059	0.4
165.05533	0.4
168.00676	4.0
169.01450	17.0
170.01778	0.5
179.03557	0.4
179.07251	0.4
195.03079	0.4
195.06721	0.3
211.02441	1.8
253.03659	0.5
271.04630	1.0
299.94653	0.3
313.05722	1.5
352.92346	0.3
391.21243	0.5
473.20325	100.0
474.20660	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	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00363	0.3
59.01385	100.0
60.01722	1.1
61.98844	0.9
69.14817	0.9
69.15240	1.2
71.01385	1.9
73.02969	1.0
78.93963	0.3
85.02985	0.9
88.71020	0.3
89.02472	1.1
101.02466	1.3
102.31091	0.3
104.78734	0.3
113.02494	1.0
125.02473	0.5
131.31262	0.3
161.04626	0.7
169.01488	0.5
173.40399	0.3
186.47731	0.3
209.15833	0.4
340.52570	0.3
371.21014	1.0
413.21970	0.9
414.05771	0.3
473.20221	1.0
481.58698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64884	0.5
57.03464	0.8
59.01384	100.0
61.98846	1.0
67.35680	0.6
71.01388	14.1
72.99302	0.8
73.02963	5.4
76.54846	0.5
78.13023	0.5
83.01392	1.2
84.32463	0.6
85.02956	4.4
89.02458	9.3
95.01398	1.2
97.06614	1.4
99.00933	0.8
101.02452	8.3
106.54974	0.6
113.02460	8.2
119.03492	3.8
123.00919	1.3
124.01691	1.5
125.02467	2.7
131.03522	0.7
135.04588	1.1
139.03990	0.9
143.03535	1.7
145.01538	0.6
149.04590	0.7
151.00279	0.7
153.09279	2.1
159.03021	1.0
161.04582	10.3
168.00620	0.6
169.01466	2.5
175.49475	0.6
179.05585	3.0
183.03087	0.8
251.16675	2.2
367.51221	0.5
413.21930	2.9
431.23093	1.0
437.45935	0.6
439.02322	0.6
473.20502	5.2
473.31531	0.5
474.20984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2913
Annotation	(+)-Ambruticin
Peak:m/z	Relative Intensity
57.03459	3.7
59.01387	9.8
71.05017	2.4
81.64198	0.5
83.05051	1.4
88.34917	0.7
93.96384	0.6
110.50660	0.7
124.03862	0.6
125.71477	0.6
180.37248	0.6
209.11754	1.1
306.44092	0.7
307.39725	0.6
353.24850	1.0
369.28091	1.6
385.31226	0.7
395.25964	2.2
396.26450	0.8
399.21893	1.7
408.07578	0.8
411.28979	1.9
413.26959	6.1
428.47882	0.8
429.29895	5.0
450.91479	0.7
455.27573	3.3
473.29163	100.0
474.29538	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	473.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19575	0.5
59.01376	0.9
87.47453	0.4
95.05067	0.5
97.06585	0.5
98.22725	0.7
98.24023	0.5
112.21131	0.5
153.46381	0.5
155.47354	0.5
171.54619	0.5
172.71503	0.5
209.11752	1.2
230.42987	0.5
247.13354	0.6
268.12289	0.5
381.21072	0.7
395.29477	1.6
399.21716	1.8
455.31421	0.7
473.25562	7.7
473.32703	100.0
474.25879	1.9
474.33023	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	473.3275
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03452	7.2
59.01371	1.5
61.98828	1.7
67.07703	1.6
73.02948	2.1
76.57510	1.3
98.21892	4.3
111.19106	1.4
125.63073	1.2
126.69353	1.3
135.50458	1.6
140.97952	1.3
180.22971	1.3
191.14470	2.5
214.18053	1.4
289.18048	1.8
329.89975	1.4
357.25906	2.2
373.29062	1.6
421.31393	7.0
431.36969	1.6
439.32190	88.4
440.32596	12.9
441.33777	44.6
442.34131	2.9
455.31729	9.6
456.32089	1.5
473.26675	4.3
473.32764	100.0
474.32950	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	473.3274
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.09157	0.4
59.01387	0.5
60.70250	0.4
62.40920	0.4
69.10781	3.0
71.01379	0.6
71.75992	0.4
72.22445	0.4
73.02940	0.5
85.02975	0.8
139.11270	2.0
154.33917	0.4
183.10243	1.0
201.11359	1.9
237.75441	0.4
473.32806	100.0
474.27292	0.5
474.33102	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03442	2.5
59.01394	1.2
69.17689	4.2
73.02950	1.8
97.06599	1.1
100.77369	0.6
111.08170	1.5
154.93127	0.7
162.83827	0.8
172.69431	0.6
189.12886	3.4
191.14439	6.2
209.11801	0.8
262.12018	0.6
281.17789	1.0
327.54950	0.6
379.30164	1.2
392.27237	1.4
393.27679	0.8
399.21902	0.8
405.27960	1.1
407.29724	2.8
409.31143	4.0
421.31152	1.6
423.29034	1.9
439.32199	10.8
440.32520	1.4
453.29956	1.1
455.31747	3.7
473.25748	5.9
473.32730	100.0
474.26709	1.3
474.33093	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	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
57.32485	1.5
69.03465	7.5
70.79076	2.4
78.95945	1.5
107.05070	6.5
109.06606	82.6
110.06943	3.0
116.05856	1.6
133.03052	2.0
134.03760	2.5
141.30841	1.7
152.99620	2.1
160.01678	9.3
161.02525	2.0
175.04002	18.0
240.18260	2.0
317.28531	3.8
355.30130	3.3
357.31631	42.9
358.32083	4.5
383.33347	2.3
385.34729	18.2
385.38861	1.9
411.32639	10.9
412.33456	2.8
424.36899	1.9
429.33743	62.2
430.34445	5.1
467.32278	1.8
473.32999	100.0
474.33511	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3276
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.78633	0.8
58.71778	0.8
59.01383	6.0
61.98842	1.0
69.57614	0.9
80.49252	0.7
88.72453	0.9
94.52078	0.9
96.92312	0.8
119.32851	0.8
126.21762	0.9
200.11952	1.0
372.86758	0.9
462.53506	0.9
473.05154	2.6
473.32700	100.0
474.32980	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	473.3641
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
53.68808	0.9
55.90971	0.8
61.98829	1.6
71.05007	2.1
71.20241	1.1
81.49510	0.8
97.91764	0.7
121.44627	0.9
145.51308	0.8
162.83932	4.3
164.83635	3.0
166.63654	0.8
217.00426	0.9
240.25050	0.9
255.44144	0.9
268.17874	0.8
324.16876	0.8
409.34622	1.0
411.32928	1.4
413.34210	7.1
414.34634	1.1
455.74777	0.9
473.36417	100.0
474.36737	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	473.3643
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
60.99309	6.5
69.23809	1.8
79.19218	0.3
107.39569	0.3
148.33382	0.3
166.48506	0.4
227.85342	0.3
339.26642	0.4
355.26184	0.8
379.29971	0.4
409.34769	13.4
410.35104	1.7
427.35727	0.7
473.36386	100.0
474.36725	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	473.3642
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
54.85050	0.4
55.97490	0.3
57.03454	1.7
64.10777	0.3
66.29678	0.3
71.41184	0.3
102.11365	0.3
171.80272	0.3
199.72031	0.4
259.78003	0.3
311.03708	0.3
409.34180	0.5
411.32986	0.6
413.34317	1.5
455.34595	1.1
473.36383	100.0
474.36737	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	474.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01389	28.4
84.92571	7.3
85.02953	13.2
89.02473	12.2
90.24450	8.6
94.63955	7.5
95.01400	10.4
98.58907	6.9
101.02477	18.6
107.01328	7.7
107.07817	7.8
109.02966	10.4
113.02474	10.4
115.00404	9.4
123.00912	16.6
124.01714	8.3
125.02461	41.3
133.01457	13.2
147.04572	12.1
151.00458	13.0
161.02422	8.0
167.00017	10.2
169.01457	70.4
175.03976	14.1
179.03596	13.8
179.05882	7.5
189.01981	8.2
271.09717	12.7
275.02130	11.3
300.99945	24.1
315.08786	7.9
384.76755	8.6
389.78055	9.2
392.12848	7.9
411.09222	9.3
474.17130	42.6
475.17523	36.5
491.51312	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	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01176	0.8
60.38681	0.9
61.98827	1.2
70.66888	2.2
78.95914	43.8
91.98312	0.9
113.75436	0.9
117.96086	0.8
122.00107	1.5
128.73450	0.9
140.01207	9.0
152.99615	4.5
162.83954	1.5
171.00635	3.8
196.03790	12.2
214.04880	3.4
277.21750	100.0
278.22055	6.6
282.04187	0.9
474.26279	33.8
475.26553	4.0
477.75412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97613	0.4
59.01375	1.9
64.00209	0.4
77.78561	0.4
78.95908	12.4
98.22633	0.9
127.07539	0.6
140.01205	2.8
171.00620	0.7
192.35504	0.4
196.03876	1.0
197.43484	0.5
207.30820	0.4
212.17052	0.4
214.04790	2.6
259.20767	0.7
277.21741	100.0
278.22076	7.1
473.32947	0.9
474.26376	10.3
474.33093	4.2
475.26932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.2
61.84536	0.3
61.98853	0.5
71.01378	1.8
72.99322	0.6
73.02951	0.3
74.11590	0.3
75.00883	1.2
79.95741	4.7
82.58778	0.3
84.93870	1.3
85.02973	0.7
87.00878	0.5
89.02457	0.4
91.69786	0.3
92.29370	0.3
95.95247	0.8
96.96017	10.1
99.00888	0.9
99.92590	10.6
100.92671	0.7
100.93367	9.3
101.02469	0.9
101.93382	0.3
103.00389	0.4
104.66528	0.3
107.06529	0.3
113.02462	0.5
115.92088	17.8
116.92870	100.0
117.01942	0.4
117.92896	3.8
117.93656	0.6
123.00923	0.4
125.02464	0.7
128.53053	0.3
133.01419	0.5
135.02989	1.8
140.92873	0.8
141.93689	0.7
142.94406	0.9
145.01482	0.4
150.97035	0.3
152.98643	0.4
156.92351	0.5
158.93932	0.5
164.31937	0.3
169.01430	0.6
172.05208	0.4
173.92717	0.4
174.93494	0.3
178.81303	0.4
183.94733	0.5
184.91884	1.8
185.92647	0.4
196.95514	0.4
209.11850	1.1
220.82449	0.3
241.00259	0.9
243.35408	0.3
253.09154	0.5
256.99768	0.4
271.18024	0.4
283.13403	0.9
353.07117	0.5
353.13818	0.3
354.07175	0.5
371.08038	3.4
372.08533	0.6
389.09225	3.4
395.13800	19.1
396.14096	1.1
401.09039	0.8
413.09067	1.4
415.23840	0.4
431.10342	2.8
432.10406	0.5
439.06976	1.1
475.09143	8.2
475.26102	0.5
476.09491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03483	1.2
58.55991	0.9
59.01383	10.0
61.98838	12.6
62.67409	1.1
64.52161	1.1
69.38658	4.9
71.01388	5.9
71.98115	1.0
72.99321	1.1
73.02960	1.9
83.01395	1.2
83.78440	1.3
85.02942	2.8
89.02464	2.3
90.83215	1.1
91.92032	1.2
95.01414	3.1
101.02433	3.4
107.01421	3.0
113.02467	1.7
119.05060	1.7
120.99703	1.3
123.00904	13.2
124.01683	6.4
125.02458	26.8
125.03334	2.1
137.02460	1.6
138.03198	2.1
139.00404	1.9
140.01065	1.7
141.01962	3.2
142.73833	1.1
151.00372	9.6
153.05571	5.0
153.87730	1.1
161.04573	1.8
166.99835	2.2
168.00685	3.1
169.01439	37.4
170.01833	2.0
175.04054	1.2
191.03560	1.4
203.03658	1.7
211.02505	2.5
225.05927	4.6
229.01459	1.8
257.00906	1.7
269.08041	1.2
271.04926	1.5
273.00543	1.7
275.02066	2.9
283.13080	1.2
300.99924	6.8
313.05573	10.2
325.87997	1.4
343.09406	2.2
377.03424	1.3
385.11359	1.9
412.12540	100.0
413.12802	8.0
415.45175	1.2
475.08832	1.3
475.18314	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01385	100.0
70.69192	0.9
71.01389	18.9
73.02959	1.3
74.14182	0.5
77.59845	0.6
81.79414	0.6
85.02515	0.5
85.02958	3.0
87.00909	1.3
89.02453	29.8
95.01420	0.9
101.02450	10.5
101.36744	0.5
113.02472	10.1
119.03519	13.7
119.04330	1.0
120.03855	0.6
131.03563	1.4
135.04552	6.7
143.03528	3.9
149.04588	1.1
161.04587	4.4
179.05626	10.2
415.23737	2.0
475.16504	1.1
475.27219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01383	100.0
60.01732	0.6
61.98825	1.0
68.02550	1.8
71.01389	7.6
73.02958	2.9
81.67936	0.5
83.01385	0.9
84.83469	0.4
85.02959	3.6
87.00876	0.7
89.02436	3.2
95.01441	0.5
98.21886	1.1
99.00887	0.8
101.02444	6.6
107.71301	0.4
113.02438	3.8
119.03531	2.0
123.00935	0.5
125.02493	0.6
126.99653	0.5
128.99298	3.0
129.99628	0.9
159.03043	1.1
161.04570	8.2
179.05713	0.7
273.33911	0.5
276.57431	0.4
345.19235	4.0
415.23441	4.8
475.26840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31339	0.2
59.01381	1.0
67.01884	0.3
69.27210	1.5
79.05534	0.5
80.02699	1.4
81.03457	2.1
83.05035	5.0
95.05037	1.1
97.06602	1.0
109.06606	0.8
111.25256	0.3
123.08169	1.2
125.06108	0.4
125.09758	1.8
130.59357	0.3
135.08160	1.4
147.11830	0.7
149.09711	0.6
151.11296	0.3
163.11292	3.6
165.12860	2.3
171.10294	2.2
175.11316	0.5
181.12389	0.7
185.11816	0.4
191.10797	2.8
191.14444	0.3
197.11833	0.4
203.14398	0.5
207.10199	0.3
209.11838	100.0
210.12187	5.2
221.11885	0.3
221.15373	0.3
229.12404	0.3
231.13800	0.7
235.13370	0.3
247.13422	1.9
249.15002	1.6
265.14554	0.5
305.17566	0.3
339.23346	0.7
357.24271	0.5
383.22357	2.1
385.54892	0.3
401.23328	6.7
402.23511	0.8
457.25958	0.9
475.26993	12.0
476.27594	1.6
476.34189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39972	1.4
57.03460	2.0
59.01382	24.7
60.01690	1.4
61.98836	100.0
68.01836	1.5
71.01392	4.3
71.42582	1.5
73.02950	3.7
83.05151	1.3
85.02969	6.5
87.00894	1.9
87.04522	1.9
89.02460	3.3
94.02964	1.6
101.02458	3.1
113.02477	1.5
119.03477	1.9
123.00927	2.1
125.02472	3.7
165.05463	1.7
169.01408	4.7
175.03951	4.1
182.86253	1.5
193.01398	1.6
200.94565	1.4
231.03119	1.5
297.40735	1.7
359.14874	4.2
371.14670	2.9
387.21631	4.4
388.22202	5.1
440.25385	6.4
457.26038	1.9
458.26419	10.6
467.21594	1.6
475.27460	5.3
476.16815	5.4
476.27338	8.7
477.28436	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	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24726	3.1
78.95914	100.0
96.96987	7.9
125.79939	0.6
152.99609	15.6
171.00664	17.0
186.66881	0.7
188.81775	0.6
201.25383	0.6
225.02553	0.8
279.23416	0.9
300.64743	0.6
332.70941	0.7
403.35632	0.7
476.27856	52.7
477.28241	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	476.2784
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.93361	0.7
59.01392	0.9
67.99387	0.6
78.95910	30.3
93.23589	0.7
96.97021	1.1
122.00192	0.9
140.01208	4.9
152.99599	2.3
171.00641	2.3
196.03822	10.1
214.04878	2.3
279.23322	100.0
280.23709	7.2
282.50836	0.8
319.28720	0.7
476.27823	28.2
477.28506	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	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13467	0.5
59.01387	0.8
63.83723	0.6
65.76366	0.6
69.66640	2.3
74.67091	0.6
78.95916	7.0
103.16469	0.6
121.25426	0.6
133.24152	0.6
140.01176	2.3
176.99699	0.6
178.28362	0.6
193.46300	0.6
196.03798	1.6
209.11838	0.7
209.14386	0.6
214.04851	2.7
234.51622	0.6
279.23309	100.0
280.23691	7.4
441.00098	0.7
474.06232	0.7
476.27777	8.1
477.28018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24834	0.5
51.39132	0.5
59.01407	2.2
59.69046	0.5
61.98840	0.8
71.01427	1.7
71.43084	0.6
78.89561	0.5
83.05070	0.5
89.02480	0.9
94.52848	0.6
96.96049	0.6
118.67093	0.5
119.05075	1.3
123.00913	0.7
125.02469	2.6
133.58658	0.5
163.04037	0.9
169.01389	3.0
181.12427	0.5
182.08450	0.5
197.11707	0.6
216.00748	0.9
242.99394	2.3
244.00194	1.4
270.98868	21.6
271.99387	0.9
275.01901	0.9
298.98395	24.5
299.99133	100.0
300.99536	7.3
302.00372	0.9
312.99988	0.6
313.05591	0.6
314.00732	12.9
315.01495	73.8
316.01865	4.2
390.65958	0.5
455.81323	0.6
477.06689	72.1
478.07007	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	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73695	0.6
59.01386	6.6
66.43584	0.6
69.03453	0.7
69.44966	2.6
71.01388	5.7
73.02956	1.0
79.01891	0.8
81.03456	0.8
83.41125	0.6
85.02956	1.9
88.98776	0.7
89.02448	2.4
93.03496	0.7
95.01402	1.5
97.02946	1.4
101.02441	2.9
107.01398	9.6
113.02446	2.0
119.05038	78.1
120.05388	2.1
121.21885	0.6
123.00902	12.0
123.04499	0.5
124.00850	0.9
124.01687	8.2
125.02460	53.4
126.02788	2.1
133.01414	0.6
135.02994	0.6
135.04547	1.9
136.98808	0.6
137.02440	0.7
139.00395	2.4
140.01205	1.1
141.01944	2.4
141.60817	0.6
145.01437	2.1
145.02911	0.6
151.00380	7.9
163.02557	3.0
163.04012	34.1
164.04265	0.7
167.03529	0.9
168.00667	3.3
169.01440	70.3
170.01799	2.3
179.03529	1.4
193.01494	0.6
195.03038	0.7
211.02596	1.9
241.03528	1.5
243.78435	0.6
258.01343	0.8
270.98843	7.3
275.02029	2.0
283.99637	1.0
285.00513	2.3
286.01117	1.6
298.98395	10.0
299.99088	1.5
300.99930	2.5
313.00269	3.8
313.05658	41.8
313.97110	0.5
314.00693	10.8
314.06067	1.6
315.01276	0.7
315.08810	0.8
348.10504	0.6
415.12469	0.7
433.11801	2.2
477.10724	100.0
478.11020	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	477.1045
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
55.01867	0.7
58.10932	0.7
59.01391	3.9
67.80401	0.8
67.88052	0.8
69.36575	2.6
71.01383	3.9
73.02980	0.8
79.01894	0.9
81.03507	0.9
91.85561	0.8
93.03482	1.0
95.01395	2.0
97.02974	1.8
99.00890	0.8
101.02435	2.6
104.25719	0.9
107.01385	9.4
111.00878	1.0
113.02454	1.1
119.05041	71.7
120.05378	2.2
123.00901	11.8
124.01691	8.7
125.02463	54.8
125.19537	0.7
126.02829	1.0
139.00389	2.9
139.71513	0.7
140.01207	1.8
141.01961	2.2
151.00395	8.4
153.02094	0.9
163.04036	33.6
164.04367	2.1
165.01915	1.1
168.00658	2.4
169.01445	79.6
170.01866	1.4
193.01491	0.7
195.02983	0.9
211.02594	1.9
215.17694	0.7
220.26089	0.7
223.02672	0.9
233.91463	0.7
241.03683	1.3
270.98965	2.7
274.01477	0.7
275.02026	1.2
298.98438	3.1
301.00024	2.5
302.00348	0.9
313.05685	42.1
314.00751	2.7
314.06018	2.5
380.44574	0.8
433.11588	1.7
477.10504	100.0
478.11044	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	477.1044
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
57.03460	1.4
59.01382	8.2
61.98837	0.8
64.68478	0.6
69.03454	1.7
69.19952	3.3
71.01389	7.0
71.05025	0.7
73.02954	1.4
79.01876	0.6
81.03453	0.6
83.01383	1.0
83.05033	6.8
85.02951	2.5
87.00856	0.9
88.98777	0.9
89.02454	1.9
95.01389	2.0
97.02983	1.0
98.22681	1.4
101.02470	2.5
104.18069	0.6
107.01405	8.5
111.00889	1.0
113.02467	2.0
115.00378	2.4
115.07626	0.8
119.05040	61.8
120.05421	1.3
123.00900	11.3
124.01673	8.0
125.02460	42.4
126.02792	1.1
133.01450	1.8
135.04538	1.8
137.02417	0.9
139.00385	1.9
140.01172	1.5
141.01970	1.3
143.05054	1.4
145.01439	0.8
151.00394	7.8
151.04073	1.0
153.01961	0.8
159.08150	2.0
159.10283	18.3
161.04674	0.7
163.02600	1.1
163.04012	25.6
164.04381	1.3
167.03513	1.5
168.00699	2.9
169.01443	60.6
170.01741	0.8
177.09200	1.0
179.03601	0.9
195.10300	9.9
211.02530	2.4
213.09274	3.1
229.12367	1.7
241.03566	1.1
253.03676	0.9
261.14948	1.2
265.12329	1.0
271.04633	0.9
273.11356	1.8
281.15527	1.1
297.14862	1.4
299.16647	1.6
300.99979	1.2
313.05692	26.6
317.10226	1.2
317.17606	16.8
361.09250	0.9
433.11481	7.5
434.92508	0.7
459.09314	2.2
477.10422	100.0
477.28534	1.7
478.10736	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	477.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12086	1.6
59.01382	21.3
61.98827	5.4
70.43192	4.3
71.01393	5.8
73.02943	13.8
79.95762	3.7
81.03468	3.3
83.01391	5.3
87.00883	2.1
88.93109	1.9
89.02460	5.9
95.01369	2.9
96.96008	5.4
98.95559	2.9
100.79971	1.7
101.02460	12.7
108.02193	1.9
109.02979	11.3
113.02476	3.6
119.01397	1.7
120.02129	1.8
123.00902	3.5
135.03055	2.2
137.02454	50.1
147.00882	4.6
161.04547	1.8
163.00380	10.3
164.01175	24.8
165.01942	65.2
167.06332	3.7
169.01392	4.5
175.00389	3.2
176.01112	3.1
178.99867	3.3
189.15056	1.8
202.99840	8.6
206.99336	3.8
208.00139	60.2
209.00914	100.0
210.01292	3.4
213.15005	2.2
246.98874	31.5
329.10263	2.7
357.09790	2.2
369.86218	2.1
395.13693	3.0
397.13684	5.9
401.08466	2.8
433.11414	7.0
441.17728	5.0
451.15741	2.4
477.28632	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	477.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.2
59.83160	1.2
65.00337	2.0
65.03957	2.3
71.01363	2.9
73.06931	1.3
75.00839	2.1
78.02027	1.5
81.03460	2.9
93.03465	5.5
99.92641	1.6
101.02405	1.7
108.02185	1.8
109.02989	12.3
116.92880	12.0
119.01380	1.5
120.02187	3.1
123.00883	1.6
135.03033	3.0
136.01744	1.5
136.46370	1.4
137.02457	57.3
138.02814	2.2
142.32747	1.4
147.00850	4.2
154.89519	1.5
155.03467	2.3
163.00394	8.4
164.01175	40.0
165.01947	68.8
166.02266	2.2
171.18324	1.4
178.99883	5.3
202.02823	3.0
202.99896	12.3
204.00540	1.6
206.99304	6.9
208.00153	67.7
209.00928	100.0
210.01317	3.5
246.98859	43.7
259.99142	1.4
276.54974	1.7
357.09680	1.6
373.09192	2.2
401.08783	5.8
433.11356	8.7
477.27216	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	477.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12523	1.8
57.26368	1.8
59.01369	5.2
60.99309	10.3
61.10822	1.6
67.69501	1.8
69.47416	4.5
69.47805	3.5
71.01376	5.6
88.98811	83.4
89.02430	2.1
95.01443	2.4
101.02436	3.4
105.74029	2.0
107.01419	6.1
113.02458	2.0
119.05029	56.3
123.00882	16.1
124.01677	10.6
125.02458	45.8
139.00397	3.4
140.01230	2.1
141.01930	3.9
151.00388	11.1
163.04004	24.1
168.00612	3.9
169.01443	56.1
170.01807	2.9
178.71822	2.0
251.84853	1.8
270.26401	2.0
299.99240	3.3
313.05640	22.1
314.05890	2.5
315.01511	3.7
387.12967	49.7
387.18027	2.5
388.13257	3.6
433.11136	8.2
459.09738	2.5
477.10468	100.0
478.10999	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.7
67.65394	0.8
70.94543	1.6
71.01383	7.2
73.02946	4.3
79.01888	1.5
81.03452	1.5
83.01377	2.2
85.02961	5.9
87.00880	1.5
89.02450	2.9
91.66451	0.9
95.01397	3.6
96.96046	1.1
97.02956	1.4
99.04501	1.5
101.02449	6.6
107.01387	5.5
109.02953	3.4
111.00855	1.7
113.02464	3.6
123.00901	17.8
123.04539	2.5
124.01675	15.2
125.02466	38.7
126.02735	1.9
127.04042	1.2
134.65730	0.8
135.03020	1.1
135.04520	2.9
136.98799	1.2
137.02388	1.0
139.00389	1.9
140.01186	1.5
141.01942	3.6
143.83286	0.9
146.81155	0.9
149.02412	0.8
150.86955	0.9
151.00357	12.0
152.01123	1.0
153.01941	7.5
153.05559	2.5
156.32570	0.9
161.02490	1.2
161.04489	1.1
163.06139	1.1
167.03496	1.1
168.00659	14.3
169.01442	66.3
170.01677	2.2
178.52415	1.1
179.03583	1.5
195.03001	4.0
211.02490	50.3
212.02776	2.8
217.00894	1.0
241.03453	1.4
248.31795	0.9
255.05109	3.8
271.04623	100.0
272.05005	4.3
275.01959	3.9
275.86093	1.0
300.99771	5.6
302.00235	1.2
313.05649	8.9
315.11060	1.0
331.06696	23.7
359.07480	1.1
372.68240	0.9
373.07758	43.7
374.08255	2.7
385.07538	1.1
387.09320	8.1
399.09348	19.6
403.08670	1.6
415.08762	1.2
417.10458	33.6
418.10611	3.0
459.11398	2.4
467.53922	1.1
477.12506	37.6
478.12988	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	477.1405
Annotation	Lindleyin
Peak:m/z	Relative Intensity
57.03459	1.1
59.01386	7.5
60.01702	0.6
61.98838	4.5
64.07619	0.5
67.01908	0.8
69.03460	1.3
69.25813	2.5
71.01392	7.3
72.99306	0.6
73.02954	2.2
79.01907	1.3
81.03474	1.1
83.01391	1.4
83.05023	0.5
85.02956	4.8
87.00880	0.8
89.02445	3.7
89.79822	0.5
95.01389	2.0
96.02439	0.5
97.02960	1.5
97.06579	0.5
99.00904	1.4
101.02459	3.8
101.06073	0.8
101.70037	0.5
107.01405	9.1
111.00891	2.3
113.02453	1.9
119.05060	0.6
121.02954	0.6
123.00900	14.9
124.01680	8.4
125.02461	51.2
126.02782	1.6
127.00398	1.0
131.03479	0.7
136.98840	1.2
137.02455	0.5
139.00397	3.0
139.04034	0.8
140.01189	3.2
141.01982	2.6
148.05325	25.0
149.04503	0.9
149.06029	1.9
151.00383	9.0
153.01970	0.8
157.12347	0.6
161.04594	1.1
163.07674	7.0
168.00665	4.0
169.01442	60.3
170.01768	1.9
181.01283	0.4
183.02979	1.2
195.03062	0.8
211.02440	1.1
221.11861	0.5
235.13383	0.5
241.03593	1.4
263.16528	2.1
265.15952	0.6
267.14056	0.5
269.15613	0.6
273.15182	0.8
279.12360	1.0
285.14868	1.2
285.18335	0.5
297.06125	1.2
301.18243	2.2
303.19757	0.8
313.05667	18.9
314.05914	0.8
327.07224	1.4
347.18991	0.5
441.25870	0.7
459.27570	1.7
477.14066	100.0
477.27170	4.9
477.32565	4.9
478.14383	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	477.1406
Annotation	Lindleyin
Peak:m/z	Relative Intensity
57.03447	0.7
59.01387	6.4
61.89285	0.5
62.71896	0.5
67.01884	1.0
69.03472	1.2
71.01389	5.2
72.99310	0.6
73.02972	1.0
73.18319	0.5
79.01885	1.2
81.03491	0.8
82.00610	0.6
83.01382	0.8
85.02940	1.9
86.06963	0.5
89.02469	2.1
95.01377	2.2
96.86385	0.5
97.02953	1.7
101.02472	3.1
107.01397	8.9
111.00896	2.3
113.02457	2.0
123.00888	14.1
124.01682	10.3
124.02523	1.0
125.02460	50.9
126.02819	1.1
127.00394	0.7
136.98848	1.0
137.02513	0.7
138.49678	0.5
139.00427	2.9
139.04063	0.6
140.01222	3.0
141.01929	2.2
148.04138	1.2
148.05316	24.0
149.06052	1.6
151.00374	8.5
161.04572	1.0
163.07672	8.3
168.00623	3.8
169.01439	65.3
170.01750	1.7
183.02982	1.1
211.02473	1.1
241.03596	1.0
258.14413	0.6
273.20688	1.6
297.06204	1.3
313.05682	22.9
314.05899	1.0
327.07141	1.1
380.63882	0.8
429.19604	0.5
435.26050	2.0
477.14069	100.0
477.26526	6.7
478.14362	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	477.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81107	1.4
59.01385	39.9
60.37174	1.5
62.49818	1.5
65.88428	1.3
67.05885	1.6
70.09808	1.3
71.01393	2.9
75.00865	3.1
85.02967	1.7
89.02463	4.5
96.96036	3.0
99.00872	2.3
101.02473	1.7
103.98856	1.4
109.02934	3.1
113.02505	2.0
115.00365	1.5
121.02980	1.9
123.00921	3.3
123.04585	2.3
125.02464	11.0
135.03030	9.1
135.04568	8.4
139.59778	1.4
145.01445	4.8
145.02985	1.5
147.04524	3.5
149.06093	4.4
161.02451	2.2
161.06107	1.6
163.02515	7.8
165.05583	1.9
166.06459	1.7
169.01443	12.3
170.01796	1.6
173.02498	2.5
175.04019	2.0
179.03604	2.3
180.07967	7.0
189.01990	2.9
191.03503	2.2
192.07956	19.1
194.09441	7.4
195.10211	3.6
201.01938	2.0
203.03568	4.4
204.03781	1.8
207.10309	13.2
210.09027	4.9
217.01616	1.7
222.09032	5.5
225.11317	8.5
229.01398	3.4
230.01584	1.6
231.03069	1.7
237.11333	16.9
240.10066	4.3
245.01059	2.4
247.02460	2.5
249.04025	1.8
255.12408	100.0
256.12756	6.1
257.01074	3.4
271.09756	4.8
273.00510	2.0
275.02042	19.2
276.02295	6.4
283.99661	1.6
299.98941	2.8
300.99887	22.8
302.00400	7.3
391.03052	2.3
427.36246	1.6
477.10489	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	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75237	0.6
55.01889	3.8
57.03448	5.6
58.00591	1.6
59.01383	70.6
60.01712	0.8
61.98832	1.9
69.03467	6.2
69.14420	1.1
69.14832	2.4
69.74784	0.5
71.01386	100.0
71.05032	1.2
72.01711	1.2
72.99318	2.1
73.02951	31.6
75.00860	2.9
80.04239	0.5
81.03460	3.3
83.01397	9.8
83.05040	0.7
85.02957	32.0
87.00881	3.0
87.04495	0.6
89.02451	72.0
90.02757	0.8
95.01397	5.6
97.02953	10.9
97.06590	1.7
98.22621	0.9
99.00887	23.2
99.04500	3.5
101.02451	48.6
102.02750	0.6
109.02929	1.1
111.00915	1.3
113.02461	25.1
114.02780	0.8
115.04025	7.5
119.03480	2.3
125.02457	31.4
125.06063	1.2
126.02771	0.8
127.03992	1.5
129.09131	0.5
131.03508	10.0
135.04506	0.9
143.03531	4.3
149.04561	14.4
157.08646	1.8
159.02962	4.4
161.04568	23.9
162.04860	0.7
173.04558	0.9
183.13815	1.5
191.05629	9.5
209.48260	0.5
215.05562	0.8
219.08739	26.3
220.08972	1.1
233.06665	31.5
234.06908	0.9
243.03491	0.5
247.16714	0.7
263.16409	0.7
272.53912	0.6
273.14886	0.9
293.08804	28.4
294.08997	1.5
301.17975	1.3
319.19095	1.5
345.19257	8.3
347.18402	1.2
351.12976	32.5
352.12994	1.8
361.20038	0.9
459.26974	1.4
477.22937	20.7
477.28491	17.5
478.23151	1.7
478.28824	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	477.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01384	100.0
59.59154	1.2
60.01707	1.3
61.98831	10.4
69.18015	7.1
71.01389	24.1
72.99323	1.6
73.02941	5.2
74.06084	1.0
75.83467	1.2
83.01389	3.2
85.02953	8.1
87.00867	2.6
87.04458	1.5
89.02451	11.6
95.01385	2.3
97.03580	1.2
99.00871	2.5
99.04528	1.2
101.02453	13.8
113.02468	11.4
118.96248	1.1
119.03519	3.8
125.02425	2.8
131.03546	1.6
135.04520	2.5
136.98776	1.6
143.03526	1.3
147.03331	2.4
150.03181	1.2
159.02985	1.9
159.10306	2.5
161.04564	16.9
169.01370	1.8
175.32809	1.3
179.05598	1.8
197.11801	1.6
214.15712	1.2
225.13348	1.3
255.19672	1.6
287.01108	1.1
297.12103	2.4
299.01953	1.7
300.02802	10.5
314.04379	2.6
315.05136	24.7
316.05548	1.4
345.67120	1.3
417.24927	27.3
418.25162	3.2
433.11273	1.6
441.25821	2.2
477.10187	4.5
477.22748	2.1
477.29181	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	477.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62024	1.0
55.01857	1.4
57.03448	1.7
58.47410	1.0
59.01385	100.0
61.98835	7.1
69.41585	4.7
71.01388	25.3
73.02959	7.4
83.01398	2.1
85.02951	9.9
87.00883	2.3
89.02459	18.0
95.01398	1.9
97.02964	1.0
99.00898	2.2
101.02455	23.5
113.02467	11.3
114.02771	1.2
119.03507	9.7
123.93625	1.1
125.02439	2.1
143.03493	3.4
159.02934	2.6
161.04578	19.0
169.01532	2.2
179.05603	5.9
209.76740	1.1
217.01445	1.0
243.03120	2.8
268.03696	1.1
269.08047	1.2
274.29834	1.2
313.03519	1.1
325.07162	3.1
327.79565	1.2
341.06726	1.6
357.09634	6.6
369.06207	3.3
389.12482	2.3
401.08945	1.7
413.05124	1.6
415.15912	2.5
417.24969	33.2
418.25189	4.2
433.11203	3.3
435.22232	2.0
477.10312	1.5
477.28476	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	477.2863
Annotation	22-Oxo-20-hydroxyecdysone
Peak:m/z	Relative Intensity
52.75661	0.6
57.03455	7.7
59.01385	5.7
61.98836	4.3
69.03469	1.4
69.31973	3.1
71.01391	3.9
71.05027	1.7
73.02962	1.9
79.64915	0.6
83.05034	12.4
85.02959	8.1
85.06593	1.5
87.04530	5.1
89.02458	2.4
97.06605	1.0
99.00917	0.7
101.02440	1.6
107.05087	0.8
109.06591	1.7
110.00112	0.7
111.71535	0.6
113.02455	1.4
115.07677	2.4
123.08172	2.3
125.02460	2.6
125.06123	1.5
127.98930	0.7
130.16769	0.5
130.23759	0.6
132.45764	0.5
135.04527	1.7
143.10796	5.9
145.02942	2.1
147.08194	0.8
151.00394	1.4
153.01939	1.3
159.10283	31.9
160.10716	0.8
161.09740	0.7
166.02734	0.7
169.01462	1.5
178.99924	0.7
179.10861	0.7
181.05070	1.3
183.10318	0.7
185.09708	1.3
187.11285	0.9
193.01518	0.9
197.11864	7.1
199.11377	0.8
207.08252	1.3
209.09813	0.7
213.12865	1.0
215.03532	1.2
223.11298	1.7
225.12932	1.5
227.14496	2.3
229.12404	0.9
231.14001	1.2
239.14510	1.5
241.12375	2.7
243.03114	0.6
243.13922	1.0
245.15398	0.9
255.03059	1.0
257.15604	1.1
259.13477	5.1
260.13855	0.7
261.15210	0.9
261.18970	0.8
263.14359	1.2
265.12296	4.3
271.02533	3.3
273.14783	0.6
275.16507	5.2
275.69638	0.6
281.15561	4.8
283.13412	2.3
285.14954	6.2
297.14990	2.4
299.02008	4.3
299.16574	10.2
300.02679	1.4
301.14517	1.0
315.05191	1.6
317.17612	100.0
318.17990	6.7
324.46210	0.6
327.16159	1.2
343.18988	0.9
348.32813	0.6
349.18024	1.0
365.21503	0.7
388.11447	0.7
423.25491	4.2
441.26468	8.6
459.27313	2.7
477.10611	2.6
477.19934	5.6
477.28659	21.6
478.28964	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	478.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24308	0.4
57.60156	0.3
59.01389	3.9
61.98835	100.0
63.50367	0.4
63.83723	0.4
71.01396	1.3
85.02969	0.6
88.98807	0.9
89.02443	0.7
97.02946	0.4
101.02493	0.8
107.21828	0.4
113.02462	0.6
114.25296	0.5
123.00954	0.7
123.28760	0.4
125.02441	0.8
135.03032	0.6
148.56158	0.4
153.85385	0.4
161.04509	0.7
169.01469	1.1
183.10280	0.6
299.99026	1.8
300.99484	2.4
316.01962	1.4
317.06729	0.5
397.43442	0.5
418.25415	0.5
478.07553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01085	1.7
59.01383	34.4
60.01717	2.4
60.72070	1.3
61.98834	100.0
69.03453	2.6
70.52409	1.1
71.01389	16.0
72.99318	1.6
73.02958	4.8
81.03478	1.4
83.01378	2.9
85.02954	8.7
87.00882	2.2
89.02454	4.9
99.00919	2.7
101.02453	11.4
107.01387	2.2
107.05037	49.6
113.02425	6.4
119.03498	1.6
119.05022	1.7
123.00907	3.9
124.01704	2.6
124.92246	1.2
125.02461	10.6
126.02789	2.4
136.07747	1.4
137.14476	1.2
138.01978	2.5
139.11272	8.4
145.01430	3.7
148.05351	2.9
151.00340	2.4
151.04008	15.0
161.04564	8.3
162.04892	2.1
168.00685	1.7
169.01445	9.8
170.01749	4.3
170.07343	1.2
183.10284	24.3
213.14897	1.9
224.82559	1.2
228.04131	1.7
286.15485	1.2
289.16495	3.3
300.99823	1.5
313.05801	1.6
314.06061	2.6
369.32318	1.3
401.09750	1.3
408.11304	1.4
418.25131	9.3
420.10867	1.3
435.22360	6.7
477.32141	1.9
478.08197	1.7
478.14462	27.8
478.32462	5.2
479.06107	2.8
479.22864	3.3
479.29517	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	478.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01390	3.3
61.98834	100.0
71.01400	1.6
85.02979	1.6
89.02457	1.1
90.30266	0.6
101.02444	0.9
104.13066	0.6
113.02503	0.6
119.77831	0.6
120.99690	4.4
121.99986	1.0
125.02493	0.8
226.31041	0.6
245.15604	1.8
249.14990	0.8
263.16562	2.3
334.17377	0.7
368.72284	0.6
478.29288	2.1
479.30212	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	479.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	27.8
71.01374	24.0
71.42747	9.8
77.40581	7.4
80.88499	7.7
89.02437	13.4
95.99738	7.0
96.95999	6.3
101.02430	8.9
109.02973	7.8
115.00398	12.4
119.03517	8.7
121.02946	8.9
123.00892	25.5
123.04501	7.8
124.01653	20.2
125.02507	43.8
133.01448	80.6
135.04541	30.2
145.01314	7.8
150.03221	30.2
151.00404	12.0
160.03978	16.2
168.39491	6.7
169.01425	48.4
173.02356	6.8
177.86418	8.8
179.03448	22.5
203.03551	8.9
217.01418	10.5
227.63124	8.6
245.00887	11.1
247.02727	7.9
257.00833	11.3
273.00528	9.5
274.01175	9.1
275.01917	15.8
298.98230	15.0
300.99930	46.3
313.05621	7.9
479.05331	15.9
479.11813	100.0
480.05505	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	479.0838
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
55.82425	0.4
56.16679	0.4
56.70873	0.4
57.03465	0.5
59.01394	3.0
65.00368	1.0
69.18215	3.4
71.01430	1.7
73.02983	0.7
77.75510	0.5
83.01443	0.6
86.28115	0.5
89.02470	1.2
95.01413	0.5
95.42880	0.5
96.42010	0.5
97.37408	0.4
98.22707	1.0
101.02507	1.0
107.01389	2.3
109.02960	0.7
113.02527	0.8
119.05074	0.9
120.01283	0.6
123.00929	1.1
124.01687	3.5
125.02461	3.0
135.00887	0.8
136.01729	0.9
137.02448	2.9
148.01709	0.8
150.03265	0.7
151.00374	7.1
152.01221	1.6
152.63293	0.6
162.03275	0.6
163.00467	1.4
164.01201	2.2
165.01944	0.7
165.05608	1.2
168.00745	0.5
169.01465	3.9
178.99892	6.8
187.03961	0.7
201.99107	0.8
203.03587	1.2
204.04207	0.7
214.02737	7.7
215.03424	1.1
227.03587	1.6
229.98557	1.0
232.03758	0.8
242.02213	6.5
243.02994	3.5
259.02472	8.2
260.03040	0.7
270.01685	6.9
271.02478	43.4
272.02905	2.2
285.97607	1.6
287.01996	25.0
287.99686	0.5
288.02542	2.6
299.09308	2.1
313.05768	0.9
314.97903	0.7
315.01239	0.7
316.02246	100.0
317.02951	21.3
391.21112	0.6
423.06308	0.5
461.03433	3.5
479.08264	71.1
480.08524	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01097	5.6
59.01381	82.2
69.19585	14.7
69.19993	22.2
71.01385	12.8
92.60693	6.1
95.01443	9.8
119.11829	6.6
123.00905	8.3
125.02428	15.8
135.04518	7.5
150.03200	8.3
153.01851	9.6
168.04245	18.6
169.01523	9.9
175.02490	6.2
183.06631	100.0
201.01971	8.8
214.99840	6.8
217.01378	6.5
270.98920	12.4
272.58029	6.2
273.00439	12.8
287.09235	7.0
298.98318	19.5
300.99945	11.3
305.35287	6.6
317.10330	18.9
435.09717	7.1
451.05011	6.7
479.04324	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	479.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69329	0.4
54.04606	0.4
54.14223	0.4
54.72237	0.5
59.01385	8.4
67.01892	0.8
69.03464	0.5
69.57544	1.3
71.01385	3.1
72.99288	1.0
73.02929	0.7
79.01888	1.1
81.03490	0.7
81.53509	0.4
85.02952	1.6
89.02428	0.9
93.03469	3.5
95.01402	2.1
96.96015	0.7
97.02953	1.2
98.21941	1.0
100.31314	0.5
101.02454	2.1
106.19971	0.6
107.01402	6.2
111.00866	1.3
113.02454	2.2
121.06602	2.4
123.00896	13.8
124.01692	7.0
125.02463	37.3
126.02829	1.3
127.00423	0.7
128.36563	0.5
135.93298	0.5
137.02426	0.7
139.00359	2.2
139.04100	0.5
140.01176	1.2
141.01912	2.7
151.00394	9.2
151.04099	0.6
153.01973	0.8
161.04567	0.6
165.05589	17.0
166.05922	1.1
167.03537	0.5
168.00673	3.9
169.01447	56.3
170.01790	1.3
179.03595	0.5
211.02518	3.3
218.66325	0.5
241.03470	0.9
253.03696	0.6
271.04660	4.2
275.01935	0.7
283.06442	0.5
284.07016	0.5
287.09409	1.4
299.09332	1.4
300.99765	1.1
313.05710	13.5
314.06125	0.6
316.02274	0.5
331.06818	0.9
461.03683	1.6
461.11005	8.0
462.10785	0.6
479.12009	100.0
480.12289	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	479.12
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
50.69329	0.4
54.04606	0.4
54.14223	0.4
54.72237	0.5
59.01385	8.4
67.01892	0.8
69.03464	0.5
69.57544	1.3
71.01385	3.1
72.99288	1.0
73.02929	0.7
79.01888	1.1
81.03490	0.7
81.53509	0.4
85.02952	1.6
89.02428	0.9
93.03469	3.5
95.01402	2.1
96.96015	0.7
97.02953	1.2
98.21941	1.0
100.31314	0.5
101.02454	2.1
106.19971	0.6
107.01402	6.2
111.00866	1.3
113.02454	2.2
121.06602	2.4
123.00896	13.8
124.01692	7.0
125.02463	37.3
126.02829	1.3
127.00423	0.7
128.36563	0.5
135.93298	0.5
137.02426	0.7
139.00359	2.2
139.04100	0.5
140.01176	1.2
141.01912	2.7
151.00394	9.2
151.04099	0.6
153.01973	0.8
161.04567	0.6
165.05589	17.0
166.05922	1.1
167.03537	0.5
168.00673	3.9
169.01447	56.3
170.01790	1.3
179.03595	0.5
211.02518	3.3
218.66325	0.5
241.03470	0.9
253.03696	0.6
271.04660	4.2
275.01935	0.7
283.06442	0.5
284.07016	0.5
287.09409	1.4
299.09332	1.4
300.99765	1.1
313.05710	13.5
314.06125	0.6
316.02274	0.5
331.06818	0.9
461.03683	1.6
461.11005	8.0
462.10785	0.6
479.12009	100.0
480.12289	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	479.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	35.2
69.14291	6.1
69.14692	17.3
71.01388	7.3
75.00877	7.2
95.01453	5.3
101.02482	3.2
102.69363	3.0
103.00385	25.5
107.01412	4.8
113.02442	4.6
121.02923	4.2
123.00903	10.6
124.01672	6.7
125.02448	33.3
140.01181	4.5
147.04520	5.1
151.00389	6.9
161.02457	8.9
164.07213	8.7
165.01933	18.9
165.05511	3.3
167.77367	3.7
168.00644	3.6
169.01469	39.8
173.02434	5.7
175.02472	10.4
177.01935	6.8
179.03506	5.5
180.04295	10.5
189.01883	8.8
191.03479	3.9
195.06702	30.8
201.01906	3.6
211.02585	7.8
217.01511	6.5
229.01378	4.6
242.99667	4.3
245.01039	6.1
247.02403	4.0
257.00693	3.9
270.98856	7.8
271.04553	13.5
272.05020	3.2
273.00311	7.7
275.01971	6.2
298.98431	7.0
300.99777	17.1
304.31631	4.3
322.06107	8.2
365.04111	4.0
419.01584	3.3
451.04987	5.7
479.04498	5.4
479.05728	5.9
479.14026	100.0
479.20901	5.3
480.13889	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	479.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93136	2.6
59.01389	36.8
69.07729	21.5
71.01394	11.3
72.13492	2.5
73.02923	2.9
75.00906	3.5
85.02951	4.1
87.00861	4.7
88.70322	3.1
95.01383	5.8
101.02473	3.9
101.63485	3.2
103.00400	20.3
107.01413	5.6
113.02496	3.3
115.00372	3.2
116.66331	2.6
117.03383	4.3
122.55864	2.7
123.00909	15.4
124.01674	6.6
125.02462	33.4
134.34485	2.8
137.02432	5.4
137.19551	3.0
139.00415	3.4
140.01176	3.3
145.03029	3.3
147.04517	6.3
151.00375	6.4
161.02551	3.2
164.07155	6.7
165.01956	15.0
167.73537	2.7
168.00705	4.8
169.01454	40.2
173.02446	4.4
175.02519	11.5
177.01996	4.8
180.04311	13.4
183.06555	5.7
185.04623	3.0
195.06660	32.0
211.02542	9.4
217.01526	3.5
245.00957	3.8
247.02490	4.7
270.98886	6.2
271.04605	12.2
273.00546	5.6
298.98380	10.6
300.99957	12.4
313.05566	4.6
322.06186	6.6
327.03531	3.9
330.61856	2.8
365.03729	3.6
408.06000	3.2
419.01843	4.7
422.87253	3.2
479.05817	5.0
479.14047	100.0
480.14572	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	479.1562
Annotation	Paeoniflorin
Peak:m/z	Relative Intensity
54.59777	1.1
59.01384	10.1
65.57581	1.2
67.01879	2.2
68.92159	1.1
69.37747	5.4
71.01377	3.9
73.02953	1.7
74.95292	1.0
81.33231	1.0
83.01379	1.3
85.02968	1.1
87.00839	1.8
89.02448	1.8
95.01380	2.0
99.00902	1.3
100.93377	1.3
101.02448	3.5
107.01394	1.9
108.02179	37.8
109.02954	4.7
111.00903	4.1
113.02431	2.1
116.92867	3.1
121.02950	3.7
122.03725	2.4
123.00893	27.2
123.01755	1.9
123.03734	2.0
123.04535	18.5
124.01679	15.0
125.02458	6.7
131.04961	1.4
131.05945	1.2
133.02998	1.6
135.04526	2.6
136.01678	13.3
139.00378	2.4
145.01372	1.8
147.00896	6.2
148.01706	3.1
149.02426	1.7
150.03244	6.3
151.00394	1.7
160.46730	1.2
161.02467	4.4
162.03224	4.2
163.02722	1.1
163.03967	7.5
164.94676	1.4
165.01955	1.6
165.05582	1.4
169.01466	8.0
175.02443	1.4
175.04085	1.6
179.03438	1.8
229.01433	2.3
244.00102	1.2
245.00919	2.1
257.04523	3.8
271.06000	3.4
272.06927	24.2
273.00366	2.7
274.01163	2.0
275.01944	4.8
276.07391	1.4
287.09259	86.1
288.09583	5.1
299.99078	3.8
300.99857	10.7
303.01508	4.8
313.05423	1.4
317.10306	100.0
318.10641	5.6
327.07245	2.8
443.15616	3.5
449.14749	1.6
479.03888	1.6
480.05405	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	479.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.5
59.01382	17.4
61.98836	32.3
68.32956	3.5
69.03475	3.9
71.01384	10.2
73.02953	7.0
83.05020	9.6
85.02955	14.3
87.04526	15.2
89.02478	3.4
97.06633	4.1
98.21910	11.9
101.02442	6.2
110.48978	3.0
113.06057	4.9
115.07655	3.7
121.02945	3.8
123.00925	3.7
125.02445	5.4
132.34807	3.3
151.00388	3.2
159.10236	13.1
161.04578	4.2
169.01402	5.5
173.58344	3.8
227.14439	11.4
245.15533	4.1
247.17090	3.7
261.14929	7.5
263.16541	100.0
264.16919	4.7
301.18192	21.2
317.17404	7.9
319.19141	4.3
363.21725	4.2
420.10294	3.8
461.28955	5.7
479.16635	7.0
479.30270	71.7
480.30692	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	479.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98934	0.7
55.01872	1.5
56.84252	0.8
57.03455	7.5
58.00589	2.1
59.01385	50.2
67.05508	0.8
69.03459	12.1
69.11878	4.8
71.01386	29.7
71.05017	2.4
73.02953	8.3
75.12071	0.8
83.01394	2.2
85.02959	11.9
87.00883	2.1
89.02457	25.1
93.03430	1.3
93.07088	1.8
97.02920	1.4
98.22720	1.6
99.00828	0.9
101.02450	19.0
103.04008	1.0
109.02999	0.8
109.06599	2.6
111.08146	2.4
113.02464	10.5
113.06058	1.0
113.65765	0.8
115.04005	0.8
119.03525	9.7
119.05019	4.2
120.05322	1.4
121.02905	0.9
121.05544	0.7
123.00922	1.0
123.08156	1.3
124.01703	1.6
125.02461	5.9
127.07663	7.2
130.75534	0.8
131.03510	1.4
133.05096	11.2
137.02437	1.8
137.06119	4.3
139.11307	29.3
143.03481	1.7
145.05000	0.9
149.02495	0.9
149.04555	1.0
150.03221	2.1
151.00394	1.1
151.06131	19.2
151.11295	0.9
155.07169	4.6
161.04575	3.5
162.74866	0.8
163.04005	2.5
163.60298	0.7
165.05576	1.1
165.09148	1.4
169.01430	6.4
170.01761	2.2
171.01875	2.2
175.06114	8.9
179.05617	5.2
183.10277	100.0
184.10611	3.5
197.11833	14.4
205.07208	2.2
207.10329	1.1
217.07114	1.7
225.11325	14.0
255.12450	1.6
256.69159	0.8
281.06494	1.0
285.13635	1.3
295.10352	25.0
296.10477	1.2
313.05621	1.8
313.11426	31.1
314.11658	1.2
315.06348	1.0
317.06735	1.5
461.03427	1.3
479.11298	11.4
479.21454	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	479.2289
Annotation	Ineupatolide
Peak:m/z	Relative Intensity
55.01869	2.6
57.03441	2.0
59.01383	11.5
69.03443	1.2
71.01384	21.9
73.02952	8.7
83.01386	4.6
83.05016	1.0
85.02955	13.0
87.00877	1.2
89.02472	0.9
95.01391	2.1
97.06584	0.8
98.22692	1.8
99.00877	2.9
101.02464	16.2
111.08170	3.0
113.02449	8.2
125.02446	0.9
159.03040	2.1
161.04588	7.7
165.12868	28.5
165.14268	1.4
166.13203	1.2
183.13913	100.0
184.14246	2.9
185.45508	0.7
191.10835	0.8
209.11841	5.3
225.11209	1.1
227.12851	5.3
269.10339	9.9
311.22287	1.0
471.34091	0.8
479.22897	60.7
480.23318	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	479.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39516	0.4
55.01886	1.2
55.27171	0.6
57.03453	8.4
58.00598	1.1
59.01385	100.0
60.01719	1.1
61.98851	1.3
69.03468	2.2
69.24387	1.9
69.24796	1.0
71.01389	49.7
71.05026	7.4
72.01759	0.9
72.02174	0.5
72.99326	1.5
73.02953	3.4
74.06470	0.5
83.01385	3.3
83.05033	47.0
84.05367	0.7
85.02959	20.2
87.00882	2.5
87.04537	1.7
87.08171	1.4
89.02452	64.5
90.02782	0.7
95.01402	3.3
95.05045	1.4
97.06612	2.3
98.21899	1.1
99.00884	0.8
99.04566	1.4
101.02451	29.7
101.06142	1.5
107.05061	2.4
109.06608	1.4
111.04549	2.1
113.02462	21.8
113.06108	0.7
115.07661	7.0
117.65480	0.6
119.03513	32.6
119.58648	0.5
120.03850	0.4
121.06648	1.1
123.00912	0.9
123.08165	2.5
124.01670	0.6
125.02469	1.6
125.06133	2.3
129.09311	0.6
131.03513	2.6
135.04576	1.9
135.08234	0.5
135.76186	0.5
136.07707	1.1
137.06110	1.0
137.09787	0.6
139.07704	0.6
141.09268	1.9
143.03493	4.8
145.08763	0.6
149.04594	2.9
149.06119	1.3
151.07722	0.7
151.11243	0.8
155.10841	1.5
159.10280	49.7
160.10625	0.9
161.04605	4.4
163.07701	1.2
169.01450	1.4
175.11366	1.4
177.01978	1.2
179.05615	13.6
183.10367	0.7
189.11241	0.6
211.14922	0.8
213.12923	1.0
215.14493	2.1
221.01045	0.9
221.11925	1.0
225.11412	2.0
227.14542	0.7
229.01497	0.7
231.14018	1.8
233.15594	1.4
239.14464	0.9
243.14021	1.5
245.15588	2.2
247.13585	0.6
247.17131	1.0
249.12938	0.9
250.12189	0.8
255.11674	0.7
255.14070	0.9
257.13113	1.0
257.15353	2.8
263.16617	1.9
265.12329	0.6
265.16019	0.9
267.13974	2.8
273.15131	1.2
275.02133	1.2
275.16794	1.4
283.14264	0.6
283.17065	3.1
285.15149	2.6
285.18622	1.1
299.16446	9.1
299.99139	1.0
301.00031	2.2
301.18094	14.9
302.18561	0.8
303.19827	1.8
317.17676	1.3
319.19144	20.2
320.19589	0.6
327.20065	0.6
331.19229	1.1
331.25064	0.5
367.22946	0.8
385.24161	1.0
391.20853	0.6
391.25299	1.0
403.25278	0.9
417.26581	2.9
435.27765	2.2
443.28262	2.0
461.22299	1.3
461.29056	10.1
463.26984	1.0
479.23062	53.2
479.30408	97.0
480.23422	4.3
480.30801	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	479.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86382	0.5
57.03461	5.2
59.01387	10.1
61.98827	1.5
69.03456	3.0
71.01405	4.3
71.05019	3.4
72.02161	0.8
73.02957	9.3
81.03439	0.9
83.01363	1.3
83.05035	7.8
85.02962	4.1
85.06625	0.9
87.04527	11.9
89.02461	2.3
95.01379	1.3
95.05002	1.5
97.02957	0.5
97.06599	7.9
98.22665	1.0
99.04523	4.2
101.02444	2.8
101.06083	1.4
104.40392	0.6
107.05007	0.9
109.02949	1.1
109.06608	4.3
111.04523	0.8
113.02449	1.6
113.06087	1.5
115.07684	3.0
121.03020	0.7
121.06625	1.1
123.00900	2.4
123.08153	2.5
124.01684	1.5
125.02457	3.6
125.06073	1.6
127.04060	1.3
127.07657	1.7
129.09215	0.8
134.06157	1.2
135.04568	0.8
135.08141	0.7
137.02498	1.0
137.06094	1.2
141.09259	0.6
145.08720	1.8
149.06064	0.8
151.00389	1.3
151.07658	3.2
153.09207	1.9
155.10773	0.6
159.10292	7.8
163.11276	1.7
166.99849	0.6
168.00653	1.1
169.01399	3.1
171.10184	0.7
173.09720	1.3
173.11859	1.1
175.11292	1.1
177.09215	0.6
178.05008	0.6
179.10629	0.6
189.09492	1.1
189.11337	24.1
189.12830	2.2
190.11562	0.7
191.10762	2.9
193.12318	1.3
201.09406	0.6
201.12906	1.3
203.10980	1.2
203.12923	3.1
211.11330	0.8
215.12761	3.7
217.12347	2.2
217.14375	1.4
219.10086	0.6
219.13914	0.9
221.11815	0.9
227.14514	2.0
229.12383	3.3
231.13824	0.9
233.15514	5.1
235.13391	2.2
235.17078	1.1
236.73529	0.6
241.12309	1.2
243.14008	2.9
245.15486	38.3
246.15782	2.9
247.13437	2.4
249.14969	5.1
257.15454	3.3
259.13388	2.3
261.14978	4.9
263.16531	100.0
264.16904	5.4
267.13928	0.7
271.04504	0.7
271.17035	1.1
273.18509	1.3
275.16541	5.0
279.16083	3.7
283.17047	2.7
285.14914	1.6
289.18076	2.9
299.16299	0.8
301.18094	15.0
302.18265	1.2
313.05753	1.0
317.17511	2.9
319.19150	5.6
320.19495	0.9
325.18280	1.1
343.19180	1.4
345.20602	0.7
361.20236	4.0
363.21802	2.4
379.17810	0.7
443.28079	1.6
461.29428	3.8
463.26825	1.3
479.16449	7.8
479.24200	4.1
479.30206	80.6
480.16385	1.0
480.23917	1.2
480.30426	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44237	0.3
57.03448	2.1
58.10515	0.2
59.01383	6.1
61.98824	0.7
69.03447	1.1
70.85513	0.4
71.01389	3.1
71.05018	0.6
73.02952	2.2
75.71431	0.3
83.05022	2.4
85.02959	5.2
87.00887	0.4
87.04522	12.5
89.02450	2.9
95.05058	0.4
97.06587	0.4
99.00877	0.9
99.04527	0.5
101.02440	1.8
109.06609	0.6
111.00913	0.3
113.02460	0.9
113.06095	4.6
115.07690	1.5
121.60838	0.3
123.00918	0.7
124.01649	2.0
125.02470	2.9
131.03462	0.5
131.76494	0.3
135.04533	0.5
135.08234	0.5
139.00354	0.8
149.04558	1.2
149.06085	0.7
150.05630	0.4
151.00395	0.4
151.05965	0.3
159.10301	2.3
159.11542	0.4
163.11272	0.3
166.99895	0.6
168.00626	1.5
169.01434	3.6
173.11719	0.3
179.03519	0.4
191.05540	0.4
194.99342	0.4
199.11407	0.5
201.12845	0.6
209.13399	0.4
211.02496	7.2
211.11322	1.5
225.12955	0.3
227.14420	11.5
228.14792	0.7
229.12328	0.6
231.13782	0.6
239.14453	0.6
242.58290	0.3
243.13860	1.2
245.15500	3.2
249.14999	0.5
255.13959	0.7
257.15485	1.2
261.15005	1.6
263.16534	100.0
264.16895	5.6
267.13870	0.4
269.15506	0.5
271.04633	10.8
271.16986	0.5
273.15057	0.9
275.13449	0.4
275.16574	1.9
289.18063	2.5
299.16525	2.1
300.16815	0.3
301.18149	1.0
302.15167	0.4
303.16464	0.3
303.19913	0.5
317.03033	3.9
317.14185	0.5
317.17514	2.7
319.19318	1.8
331.06723	1.9
343.19501	0.3
345.20831	0.7
361.20441	0.4
362.09937	0.3
363.21796	5.2
364.22363	0.4
419.19196	1.1
420.10693	1.1
461.29175	1.0
479.15662	1.1
479.30231	35.5
480.15204	1.3
480.30484	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	479.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.1
59.01389	1.6
62.47564	0.1
65.03976	0.1
67.01885	0.3
69.03453	1.4
69.21307	0.6
69.21716	0.3
71.01391	1.6
71.05025	8.4
72.02164	0.7
73.02952	1.2
81.03479	0.3
81.07098	0.3
83.05032	67.0
84.05349	1.0
85.02956	17.0
86.03268	0.1
87.04509	0.9
87.08163	1.9
95.05028	1.3
97.02928	0.2
97.06590	2.5
98.22605	0.3
99.04524	1.4
101.06085	1.4
107.05035	2.2
109.06611	0.9
111.04533	0.4
113.06100	0.7
115.07664	9.3
116.07992	0.1
119.04989	0.1
121.06612	0.4
123.04549	0.2
123.08175	3.8
125.06099	3.5
129.09225	1.0
133.06622	0.5
135.04549	0.2
135.08202	0.4
137.06102	0.4
139.07689	0.2
141.09238	2.3
147.08144	0.3
149.06110	0.8
149.09698	0.3
151.07669	0.7
155.10826	0.4
157.06641	0.2
157.08774	0.5
158.09569	0.2
159.10278	63.9
160.10612	1.6
161.09705	0.2
162.06839	0.2
163.07666	0.6
163.11282	0.6
165.09236	0.3
171.08153	0.3
173.09764	0.3
175.07629	0.3
175.11208	0.2
177.09291	0.4
183.10219	0.2
183.11858	0.4
185.09726	0.4
187.07578	0.2
189.09100	0.3
189.12827	0.3
191.10712	0.6
193.12311	0.3
199.11385	0.2
201.09221	0.2
203.10837	0.6
203.14424	0.4
207.13913	0.3
211.11412	0.2
211.14938	1.7
213.12898	0.7
215.10851	0.1
215.14391	0.3
217.08704	0.2
219.10344	0.4
221.09708	0.7
221.11787	0.4
225.12927	0.3
227.14510	0.7
229.12404	0.2
229.16087	0.7
231.13889	1.9
232.11076	0.2
232.14409	0.2
233.09766	0.4
233.11935	0.3
233.15443	1.7
237.11162	0.7
239.10823	0.3
239.14424	0.4
241.12468	0.2
241.15862	0.3
243.13928	0.4
245.15451	1.2
247.17050	1.4
249.12794	0.9
249.15074	0.8
250.12083	1.1
251.10672	0.2
251.12926	0.7
253.16139	0.2
254.13083	0.2
255.13950	0.5
255.17589	0.2
257.15460	0.9
257.19302	0.3
258.12619	0.2
259.13440	0.1
259.16953	0.4
265.12506	0.2
265.16025	1.1
267.13885	4.2
268.14404	0.4
268.64072	0.2
269.15326	0.3
272.14105	0.5
273.15015	2.5
273.18088	0.2
275.12915	0.2
275.16406	0.2
277.19632	0.4
281.15567	0.4
283.13730	0.3
283.17044	5.3
284.17316	0.3
285.14996	3.9
285.18170	0.2
286.15668	0.2
299.13211	0.2
299.16434	0.6
301.18103	12.5
302.18445	0.7
303.16095	0.3
303.19626	0.4
304.16785	0.5
311.16599	0.2
313.18167	0.3
319.19156	28.0
320.19492	2.0
325.17932	0.2
327.16196	0.2
327.19684	0.4
329.17709	0.5
331.19110	0.8
345.20685	0.4
347.18573	0.4
349.21432	0.5
351.19498	0.2
355.18970	0.1
361.20288	0.7
367.22809	0.9
373.20309	0.5
385.24005	1.0
391.21304	1.2
393.26532	0.6
403.24939	1.6
425.26956	0.5
427.25220	0.3
443.28015	1.5
444.28525	0.2
445.26138	0.5
461.29147	4.4
462.29413	0.3
463.27185	1.4
477.28659	0.4
479.30157	100.0
480.30490	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	479.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25368	0.3
52.52393	0.3
53.30484	0.3
57.03447	6.4
59.01378	2.4
61.98830	0.9
69.03439	1.0
69.41763	1.6
71.01394	2.1
71.05023	4.7
72.02178	0.3
73.02936	1.3
78.84366	0.3
82.97058	0.3
83.05031	50.2
83.09560	0.3
84.05385	0.7
85.02959	12.5
87.04526	1.0
87.08160	1.6
95.01379	0.3
95.05091	0.4
97.06607	2.3
97.63795	0.3
98.21880	0.6
99.04503	0.7
101.06089	1.0
107.05058	1.5
109.06631	0.6
113.06084	0.5
115.07658	7.5
115.08420	0.6
123.04543	1.0
123.08170	2.5
125.06084	2.5
129.09186	0.4
135.08197	0.4
137.06003	0.3
141.09235	1.5
149.06122	0.5
149.09761	0.4
151.03970	0.5
151.07616	0.4
153.05608	0.9
159.10278	40.0
160.10544	0.8
163.11305	0.6
183.11780	0.5
185.11876	0.6
187.07617	0.4
189.09050	0.3
203.10834	0.4
211.14890	1.9
213.12961	0.7
221.09698	0.5
227.14514	0.4
231.13950	1.5
233.15559	1.1
237.11353	0.8
239.14441	0.5
243.13872	0.6
245.15393	1.1
247.17067	1.0
249.12817	0.9
249.15039	0.6
250.12053	0.7
251.12727	0.6
255.13832	0.5
257.15488	0.6
265.15967	1.4
267.13916	3.5
273.14944	2.4
273.17624	0.3
277.19638	0.5
279.15979	1.2
283.17023	3.9
284.17639	0.4
285.15002	3.3
299.16553	0.6
301.18109	9.5
302.18292	0.4
319.19153	20.3
320.19418	1.2
327.19434	0.4
331.19577	0.4
345.20724	0.5
347.18814	0.5
349.21628	0.4
361.20117	0.8
367.22607	0.7
372.00946	0.3
385.23877	0.9
391.21210	0.9
403.24838	1.1
405.12939	0.3
425.26886	0.4
443.27945	1.3
445.25674	0.6
445.40988	0.3
461.29099	2.3
463.26843	0.8
479.30167	100.0
480.30490	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	479.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23944	0.3
57.03455	11.3
59.01386	2.4
61.98820	1.2
69.03457	1.1
69.37836	1.7
71.01389	2.1
71.05029	3.2
72.02175	0.3
72.79630	0.3
73.02943	1.4
83.05034	30.9
84.05356	0.7
85.02959	22.2
86.03285	0.5
87.04502	0.8
87.08156	0.7
89.02431	1.0
93.03419	0.4
95.05032	1.3
97.06608	1.9
99.04534	0.6
101.02451	0.3
101.06090	1.4
104.87518	0.3
107.05037	2.6
109.06602	0.9
111.04525	0.4
111.08143	0.3
115.07661	3.9
121.02905	0.3
121.06594	0.5
123.08176	1.9
125.02470	0.6
125.06087	4.9
133.06613	0.5
135.08165	0.5
137.06120	0.7
139.07671	0.9
141.09213	1.3
147.08176	0.3
149.04668	0.3
149.06079	1.2
149.09680	0.3
151.07661	1.0
159.10277	22.4
160.10616	0.7
161.06099	0.7
163.07675	0.8
163.11290	0.5
165.09219	0.5
167.38113	0.3
169.01535	0.5
173.09802	0.3
174.06960	0.3
175.07622	0.4
183.11856	0.4
185.09721	0.6
187.11398	0.3
189.09309	0.5
189.12810	0.4
191.10826	0.6
197.09692	0.4
203.10753	0.4
203.14429	0.5
207.13985	0.4
211.11414	0.4
211.14893	1.0
213.12875	0.8
213.17915	0.3
219.10196	0.4
221.09674	0.8
221.11745	0.6
227.14403	0.7
229.12506	0.4
231.13969	1.8
232.11031	0.5
233.09642	0.5
233.11909	0.5
233.15526	2.4
237.11095	0.5
239.14461	0.6
241.15828	0.4
243.13795	0.7
245.15495	0.9
247.17145	1.9
249.12854	0.6
249.14980	2.6
250.12114	1.6
251.12892	0.9
251.18088	0.4
253.15970	0.8
255.13910	1.7
255.17693	0.3
257.15591	0.9
263.16559	0.5
265.15982	0.9
267.13901	2.3
271.04596	0.4
271.17056	0.5
272.14081	0.3
273.14969	3.7
275.12933	0.5
275.16504	0.4
277.19598	0.6
281.15579	0.4
283.17050	2.9
285.15036	3.1
299.13480	0.4
299.16547	1.7
300.16742	0.3
300.99759	0.4
301.18109	12.2
302.18414	0.6
303.16104	0.4
307.17123	0.5
309.15027	0.4
317.17590	7.2
318.18005	0.6
319.19150	24.0
320.19574	1.0
325.18185	1.2
327.16125	0.9
327.19949	0.6
341.21198	1.7
343.19150	2.7
345.20673	1.2
349.21332	0.4
359.22336	1.5
361.20245	8.7
362.20837	0.4
367.22784	1.1
385.23996	2.3
393.26611	0.6
403.24753	1.7
443.28088	1.7
461.29193	4.0
462.29416	0.3
479.30188	100.0
480.30496	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	480.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83223	0.4
53.69426	0.4
57.03442	1.4
59.01384	6.8
61.98835	0.7
64.53949	0.4
69.30154	0.7
69.30488	2.3
70.64509	0.4
71.01377	2.4
73.02940	0.7
81.01003	0.5
81.03414	0.5
83.05035	0.8
85.02957	3.7
87.04518	4.3
89.02444	1.4
95.01374	0.9
95.05019	0.5
95.23579	0.4
97.02963	0.7
98.21896	0.9
101.02459	1.4
102.45993	0.4
102.81944	0.5
107.01368	3.7
109.48682	0.5
111.00881	1.7
111.09940	0.4
121.02997	0.7
123.00880	2.3
124.00735	0.7
124.01668	15.7
125.02457	21.2
126.02762	0.5
127.00366	0.7
135.04524	2.4
136.98785	0.8
139.00392	1.4
139.04007	0.7
140.01158	2.1
141.01927	0.4
151.00441	1.1
159.10281	0.5
165.01878	0.7
167.03497	1.7
168.00659	14.0
169.01437	31.3
170.01851	1.1
179.42912	0.4
183.03021	0.7
211.02499	58.7
212.02856	1.9
216.18536	0.5
227.14445	1.3
241.03580	1.4
263.16541	8.2
264.16922	3.2
271.04617	100.0
272.04877	4.1
273.15005	0.6
278.76950	0.5
299.16559	2.0
300.16998	1.0
300.99774	0.7
301.18164	0.6
317.17566	3.7
318.18030	1.6
319.19113	0.6
331.06729	15.7
346.65771	0.5
361.20233	0.6
436.27716	0.6
461.29370	0.6
479.30310	9.2
480.15118	12.7
480.30548	8.9
481.17020	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	480.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.6
60.01707	0.6
61.98837	100.0
69.37808	2.9
70.54659	0.5
71.01390	1.4
73.02986	0.5
83.88419	0.6
85.35690	0.5
98.22667	0.9
101.02428	0.6
107.01424	2.1
108.02182	3.2
109.03017	0.7
113.75223	0.6
121.02991	0.6
123.00918	2.3
123.04564	1.4
124.01679	2.2
125.02460	13.6
125.03325	0.9
137.02460	0.8
138.15567	0.5
139.04054	2.3
151.00420	2.5
152.01146	6.8
153.02048	0.9
165.01964	0.8
166.06348	1.3
167.03514	5.7
167.06731	1.2
168.00729	1.0
169.01439	15.9
169.02779	1.1
181.08784	1.3
182.09079	1.6
183.03081	1.0
183.09398	0.8
185.52673	0.6
187.93036	0.6
193.01375	0.6
211.02490	1.0
238.09088	0.6
251.02226	0.7
270.21829	0.5
275.01901	0.6
301.00040	1.5
313.05707	13.7
345.08167	1.5
417.14142	2.2
437.10931	1.2
481.09930	18.2
481.16382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62727	0.3
53.14060	0.3
59.01376	1.3
66.00009	0.4
71.01388	0.9
71.03866	0.6
83.13837	0.4
84.31885	0.4
85.02948	0.8
90.03313	0.4
90.84149	0.4
95.01413	1.2
101.02403	0.5
105.92752	0.4
109.03034	0.5
119.05034	0.8
121.65875	0.4
123.00908	2.9
125.02455	0.6
129.03493	0.6
130.94505	0.4
133.02988	0.7
145.02936	2.2
147.04567	1.9
157.02979	1.3
159.04539	1.5
161.02371	0.5
163.04056	1.6
166.99892	1.0
172.07449	0.4
173.02463	2.3
174.03255	0.4
175.04037	2.5
185.02460	4.8
189.01984	0.5
190.02617	0.9
191.03539	2.0
199.00732	0.4
201.01936	5.8
203.03517	8.5
205.01450	0.7
213.01990	2.0
214.02660	0.7
217.01389	1.3
219.03078	2.2
229.01427	14.4
230.02086	1.2
231.02980	4.3
244.00198	0.5
245.00984	2.3
247.02571	2.0
249.03981	2.5
254.99490	0.5
256.00177	0.4
257.00931	13.3
258.01688	5.5
273.00461	1.2
274.01245	1.3
275.01996	48.9
276.02277	2.6
281.93719	0.4
283.99689	2.6
299.99072	2.5
300.99918	100.0
302.00247	5.0
319.01065	0.6
421.04059	1.1
481.06268	62.9
482.06653	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	481.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06459	0.6
59.01383	1.9
68.92403	0.7
69.13683	0.5
69.88976	1.7
71.01389	1.0
81.55221	0.7
85.02959	0.7
95.01376	0.9
113.73901	0.7
123.00897	3.0
124.40722	0.5
133.02995	0.6
145.02957	2.3
147.04535	2.2
151.72249	0.6
157.02943	1.8
159.04518	1.4
159.35486	0.7
161.02461	0.8
163.03987	1.0
166.99925	0.9
173.02460	2.7
175.04008	2.9
177.01913	0.9
185.02467	4.2
189.01961	1.1
190.02782	0.7
191.03531	2.0
201.01988	5.1
202.02786	0.9
203.03513	6.8
205.01389	0.8
213.01939	2.0
217.01466	0.8
219.03134	1.4
226.99847	0.6
228.00870	0.8
229.01431	15.1
230.01988	1.0
231.02975	5.3
245.00867	2.7
247.02527	2.2
249.04013	2.3
257.00958	13.0
258.01630	5.1
273.00430	1.2
274.01202	1.6
275.02002	49.6
276.02322	2.4
283.99564	2.8
299.99081	2.1
300.99927	100.0
302.00226	6.4
421.04062	0.8
428.89197	0.6
481.06274	66.7
482.06625	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	481.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11921	2.2
59.01387	15.9
67.01880	2.4
69.03473	2.7
71.01386	15.8
79.01900	2.7
81.03484	1.8
83.01405	2.5
84.72619	1.8
85.02969	5.9
87.00886	1.8
89.02460	8.9
95.01414	9.5
97.02986	4.2
98.21900	4.5
99.98009	1.9
101.02472	5.6
101.83180	1.9
107.01402	16.9
108.02197	5.8
111.00895	4.7
113.02479	5.6
119.03525	2.2
121.02977	3.7
122.03742	12.2
123.00903	36.8
123.04549	25.4
124.01686	27.7
125.02466	86.6
132.17046	1.6
136.01654	3.1
136.98801	3.7
137.02490	3.5
139.00415	9.4
140.01187	5.0
141.02016	4.9
145.03046	2.3
149.02487	5.7
149.27824	1.7
151.00392	19.2
151.04092	6.4
152.01167	3.4
153.01942	3.6
166.99933	6.8
167.03584	4.7
168.00671	9.6
169.01453	100.0
189.02057	2.8
201.02057	2.5
203.03534	3.5
225.05585	1.8
229.01520	5.1
231.03052	1.8
237.05782	2.5
241.52199	1.9
245.00905	2.2
252.07954	3.8
253.05345	2.4
268.07339	3.3
275.01987	9.5
283.09808	9.2
300.99908	17.7
313.05710	24.0
319.08356	2.7
437.10953	77.3
438.11423	7.5
446.11194	1.7
446.55063	1.7
463.08884	51.9
463.15030	3.5
464.09393	3.6
481.10089	80.3
482.10431	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	481.0992
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
53.11921	2.2
59.01387	15.9
67.01880	2.4
69.03473	2.7
71.01386	15.8
79.01900	2.7
81.03484	1.8
83.01405	2.5
84.72619	1.8
85.02969	5.9
87.00886	1.8
89.02460	8.9
95.01414	9.5
97.02986	4.2
98.21900	4.5
99.98009	1.9
101.02472	5.6
101.83180	1.9
107.01402	16.9
108.02197	5.8
111.00895	4.7
113.02479	5.6
119.03525	2.2
121.02977	3.7
122.03742	12.2
123.00903	36.8
123.04549	25.4
124.01686	27.7
125.02466	86.6
132.17046	1.6
136.01654	3.1
136.98801	3.7
137.02490	3.5
139.00415	9.4
140.01187	5.0
141.02016	4.9
145.03046	2.3
149.02487	5.7
149.27824	1.7
151.00392	19.2
151.04092	6.4
152.01167	3.4
153.01942	3.6
166.99933	6.8
167.03584	4.7
168.00671	9.6
169.01453	100.0
189.02057	2.8
201.02057	2.5
203.03534	3.5
225.05585	1.8
229.01520	5.1
231.03052	1.8
237.05782	2.5
241.52199	1.9
245.00905	2.2
252.07954	3.8
253.05345	2.4
268.07339	3.3
275.01987	9.5
283.09808	9.2
300.99908	17.7
313.05710	24.0
319.08356	2.7
437.10953	77.3
438.11423	7.5
446.11194	1.7
446.55063	1.7
463.08884	51.9
463.15030	3.5
464.09393	3.6
481.10089	80.3
482.10431	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	481.1004
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
54.48775	0.9
57.03456	8.8
58.03766	1.5
59.01385	19.1
60.01720	1.2
61.98837	2.9
63.86228	0.9
69.03456	6.7
69.51848	2.3
69.52235	1.7
70.66009	0.9
71.01385	12.6
71.05015	7.5
72.01746	1.0
72.05375	1.3
73.02945	3.2
73.26772	0.9
77.97927	0.9
79.01902	3.7
81.03474	1.8
83.01391	2.6
83.05033	52.5
84.05357	12.4
85.02959	17.2
86.03293	3.4
87.03329	1.1
87.08157	2.0
88.29607	1.0
89.02449	9.0
93.03553	1.0
95.01411	2.9
95.05064	1.0
96.95977	1.2
97.02969	3.6
97.06619	3.2
98.21884	1.1
101.02443	6.5
107.01392	13.0
107.05051	2.6
108.02189	7.7
108.05405	0.9
109.02973	4.3
113.02479	3.4
115.07665	7.0
116.08036	2.7
119.03505	3.8
121.03004	1.1
123.00906	15.3
123.04539	3.7
123.08185	2.7
124.01701	10.4
125.02461	32.4
125.06090	2.2
129.09172	1.3
133.03065	0.9
135.00888	10.8
135.04543	8.8
137.02426	1.6
139.00377	2.6
139.04037	2.3
140.01175	1.7
141.01904	1.3
141.09274	2.3
142.09515	1.2
145.01427	2.1
149.02455	2.3
149.04626	1.1
149.99620	1.2
150.03244	1.6
151.00356	6.9
151.04001	1.4
152.01212	10.6
153.01936	4.1
159.10291	41.0
160.10625	19.1
160.11897	2.0
161.10831	2.2
165.02039	1.2
166.02762	2.0
167.03510	11.4
168.00653	5.7
169.01440	45.1
170.01802	1.5
177.02005	1.5
183.03020	8.0
183.97635	1.0
188.43532	1.1
191.03447	0.9
193.98570	26.0
194.99306	3.4
211.02544	4.0
231.03156	1.2
231.13879	1.3
232.14284	1.6
257.01215	1.4
262.47485	1.1
267.13959	1.8
268.14240	2.1
274.15302	2.0
275.02060	3.2
283.17026	1.7
284.17407	3.4
285.15067	1.5
286.15338	2.5
296.05441	1.1
297.06390	1.5
300.99872	4.4
301.18112	3.8
302.18478	9.2
303.18848	2.8
313.05673	15.8
314.05844	1.5
315.07242	3.3
319.19138	7.4
320.19455	17.5
321.19901	4.8
327.07104	2.7
368.23221	1.5
386.24411	1.1
387.25293	1.2
437.10880	7.8
449.07266	20.1
450.07367	1.4
462.29553	3.5
463.29996	1.5
464.27112	1.2
480.23624	1.6
480.30487	73.6
481.10025	100.0
481.16028	3.7
481.23923	3.4
481.30768	37.0
482.10269	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	481.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
61.98817	0.8
64.12699	0.8
65.00320	2.6
69.03451	2.1
69.49776	0.9
69.50111	2.4
71.01394	6.6
72.99284	0.9
73.02934	1.5
79.01900	1.5
79.63105	0.7
81.03451	1.6
83.01380	1.9
83.05023	1.4
85.02959	2.7
89.02446	1.4
91.01903	36.6
95.01369	2.4
97.03002	1.7
98.22630	0.7
101.02461	2.6
107.00724	1.2
107.01400	15.5
108.02193	2.0
109.02952	12.1
110.13915	0.7
111.00898	2.1
113.02451	1.6
115.96134	0.7
120.99689	1.5
121.02943	0.9
123.00900	17.0
123.04538	1.2
124.01668	11.2
125.02456	62.0
126.02789	1.8
134.03836	0.8
135.00897	42.7
135.04536	10.2
136.01221	1.0
136.98926	1.2
137.02432	1.0
139.00371	2.9
140.01152	2.2
141.01918	2.0
143.04820	0.7
145.01370	1.7
149.02458	1.2
149.99588	2.3
150.03224	1.0
151.00388	11.9
152.01170	2.6
153.01955	12.9
153.05539	0.9
159.10277	1.4
163.04002	0.8
166.02808	1.0
167.03505	100.0
168.00609	4.4
168.03857	2.8
169.01439	69.6
170.01767	2.3
177.01936	1.2
179.03519	1.5
183.03026	3.6
187.02533	1.0
193.98570	23.3
194.99365	22.5
195.99669	1.0
211.02484	2.0
215.03458	1.1
223.02414	0.9
241.03525	1.3
243.03021	2.5
271.04678	1.6
275.02042	1.2
287.01974	2.8
300.99896	3.1
313.05670	52.8
314.06036	3.7
315.07178	6.7
327.07123	1.9
329.08759	9.0
339.03748	0.8
437.11179	0.7
449.07291	41.3
450.07813	3.2
480.30649	1.5
481.10049	81.3
481.17172	9.5
481.31784	4.5
482.10501	7.4
482.17374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0993
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01367	2.3
61.98835	10.7
67.01898	1.1
69.03463	1.0
69.09300	4.4
71.01384	5.4
78.64216	1.0
79.01886	1.4
81.03458	2.1
85.02962	2.2
86.94518	1.0
91.54337	0.8
95.01380	2.7
97.02925	4.4
101.02463	2.6
107.01409	11.3
108.02187	16.8
108.52924	0.9
109.02952	3.1
111.00926	0.7
113.02505	1.6
119.05056	0.9
123.00904	12.9
123.04527	8.4
124.01681	9.3
125.02461	71.0
126.02798	1.3
129.73878	0.7
136.98816	0.8
137.02451	0.9
139.00360	2.1
139.04051	9.6
140.01140	1.6
140.54230	0.8
141.01961	1.4
151.00363	7.7
152.01169	32.5
153.01982	5.7
157.08714	1.3
165.01947	3.1
166.99825	0.8
167.03517	29.1
168.00636	4.7
168.03790	1.1
169.01442	88.1
170.01808	2.0
175.03947	1.0
181.01442	2.7
183.02975	3.0
191.03412	1.1
193.01387	1.0
195.02966	0.8
201.01959	1.3
203.03465	1.5
211.02484	2.8
213.01953	1.0
217.01390	1.2
223.02414	1.3
229.01395	1.8
241.01408	0.8
241.03584	2.1
245.00877	1.3
247.02417	1.0
249.04208	1.5
251.01825	1.0
253.03566	1.2
257.00955	2.1
258.01614	0.9
273.00455	0.9
275.01987	8.6
298.98422	1.1
300.99988	7.4
313.05701	65.1
314.06064	3.9
327.07074	0.9
345.08249	6.3
391.03003	1.0
437.11090	7.9
463.08603	0.9
481.09915	100.0
482.10330	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	481.0993
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.51620	0.8
59.01381	2.7
61.98838	18.5
65.00305	1.0
66.02773	0.8
67.01873	0.8
69.03455	1.9
71.01384	4.6
73.02930	1.2
81.03485	1.8
85.02944	1.2
95.01402	2.2
97.02948	4.9
101.02453	3.4
107.01403	13.4
108.02193	17.2
109.02986	4.0
111.00894	1.1
113.02471	2.5
119.05068	0.9
122.03716	0.9
123.00892	11.7
123.04543	8.1
124.01690	10.7
125.02464	76.0
126.02764	2.3
136.98793	0.9
137.02480	1.7
139.00392	2.5
139.04027	14.6
140.01198	1.3
141.01965	2.7
151.00400	9.9
152.01172	35.1
153.01967	5.9
161.02444	1.2
163.03966	0.9
165.01961	4.7
166.99855	1.1
167.03510	31.1
168.00609	3.6
168.03853	1.1
169.01443	99.9
170.01787	2.7
175.04089	1.2
177.02039	1.3
181.01468	2.7
183.03030	3.9
189.01996	1.3
190.02638	0.8
191.03503	1.1
193.01398	0.8
194.25821	0.9
200.44954	0.9
201.01930	1.2
203.03378	1.2
211.02527	3.1
217.01465	1.2
229.01404	2.7
231.02905	1.2
241.03574	2.7
245.00984	2.0
247.02542	1.5
249.03879	2.1
257.00937	2.7
258.01614	1.1
261.00674	0.9
267.02872	0.9
274.01205	0.9
275.02045	9.5
285.00476	0.9
297.06067	1.0
299.98929	0.9
300.99954	10.5
313.05701	68.5
314.06082	3.6
327.07178	1.5
345.08313	7.5
346.08844	1.1
391.02969	1.6
437.11066	7.8
481.09930	100.0
482.10248	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.3
61.98835	10.7
67.01898	1.1
69.03463	1.0
69.09300	4.4
71.01384	5.4
78.64216	1.0
79.01886	1.4
81.03458	2.1
85.02962	2.2
86.94518	1.0
91.54337	0.8
95.01380	2.7
97.02925	4.4
101.02463	2.6
107.01409	11.3
108.02187	16.8
108.52924	0.9
109.02952	3.1
111.00926	0.7
113.02505	1.6
119.05056	0.9
123.00904	12.9
123.04527	8.4
124.01681	9.3
125.02461	71.0
126.02798	1.3
129.73878	0.7
136.98816	0.8
137.02451	0.9
139.00360	2.1
139.04051	9.6
140.01140	1.6
140.54230	0.8
141.01961	1.4
151.00363	7.7
152.01169	32.5
153.01982	5.7
157.08714	1.3
165.01947	3.1
166.99825	0.8
167.03517	29.1
168.00636	4.7
168.03790	1.1
169.01442	88.1
170.01808	2.0
175.03947	1.0
181.01442	2.7
183.02975	3.0
191.03412	1.1
193.01387	1.0
195.02966	0.8
201.01959	1.3
203.03465	1.5
211.02484	2.8
213.01953	1.0
217.01390	1.2
223.02414	1.3
229.01395	1.8
241.01408	0.8
241.03584	2.1
245.00877	1.3
247.02417	1.0
249.04208	1.5
251.01825	1.0
253.03566	1.2
257.00955	2.1
258.01614	0.9
273.00455	0.9
275.01987	8.6
298.98422	1.1
300.99988	7.4
313.05701	65.1
314.06064	3.9
327.07074	0.9
345.08249	6.3
391.03003	1.0
437.11090	7.9
463.08603	0.9
481.09915	100.0
482.10330	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	481.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35605	0.7
54.81145	0.7
55.01878	0.9
55.51111	0.7
57.03440	0.9
59.01378	3.8
65.00322	0.9
67.01887	0.9
68.99818	0.7
71.01388	7.9
72.58587	0.7
73.02954	2.2
81.03474	1.5
82.00625	0.7
83.01400	2.8
83.05022	1.9
85.02974	4.1
89.02437	0.9
90.13448	0.6
91.24327	0.7
95.01409	5.2
96.99324	0.7
97.02962	1.2
98.21866	2.4
98.73446	0.8
99.00931	1.2
101.02450	2.7
103.26530	0.6
107.01403	3.0
109.02970	2.0
111.00912	4.4
113.02460	3.1
121.02984	7.5
122.00110	1.0
123.00899	76.9
124.01688	38.4
124.02428	0.5
124.02630	1.0
125.02499	5.6
127.00404	4.7
132.99545	0.7
136.98810	3.6
137.02458	7.7
138.03241	37.9
139.00423	5.1
139.04033	23.9
140.01111	0.8
141.01929	3.2
149.02507	1.1
150.03271	1.1
151.00397	2.3
151.04048	0.9
152.00964	0.7
153.01959	2.2
153.05566	7.9
154.02733	1.6
155.03474	2.4
159.10298	1.7
166.02730	0.9
166.99872	4.1
168.00647	6.2
169.01436	8.0
178.99817	1.3
179.03520	0.9
181.01443	3.9
181.05078	1.7
182.02217	12.6
183.02982	16.3
190.99896	0.7
193.05145	0.9
195.06677	1.3
196.03781	1.7
197.04573	22.0
198.04846	0.9
203.03358	1.2
209.04749	0.8
210.01665	0.9
223.09752	1.7
225.04138	2.1
229.01511	1.6
231.02992	1.0
239.09265	1.0
239.82858	0.9
259.02444	2.0
275.01938	2.2
285.06171	0.7
287.01907	2.0
300.99933	3.7
301.02893	0.8
311.07758	3.1
326.06433	3.3
327.07272	14.9
328.07632	1.7
341.08795	37.6
342.09125	2.0
402.60611	0.8
463.03378	1.4
466.11255	3.3
480.30521	5.2
481.13550	100.0
481.31024	3.1
482.06750	1.1
482.13867	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	481.135
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
51.58714	0.5
52.62665	0.5
54.50858	0.5
59.01381	10.2
59.81683	0.5
63.09556	0.5
67.01875	0.7
69.03455	1.2
69.62507	2.0
71.01391	7.8
73.02940	1.2
78.01131	0.5
78.69482	0.6
79.01900	1.2
81.03481	0.6
83.01396	1.0
85.02966	2.7
85.44308	0.5
87.00874	1.0
89.02441	4.0
93.03472	1.3
95.01401	2.3
95.43871	0.6
97.02948	1.9
99.00894	0.6
101.02463	2.9
107.01395	10.5
107.02129	0.6
111.00869	1.9
113.02466	2.9
117.03439	0.6
119.03490	1.4
119.05020	3.9
121.02959	1.4
122.03758	2.9
123.00889	16.7
123.01752	0.9
123.04535	1.9
124.01693	12.6
125.02456	50.5
126.02791	0.8
127.00380	0.8
131.03439	0.7
133.02948	0.7
135.04471	0.7
136.98837	1.0
137.02444	2.2
139.00410	2.5
139.04005	1.0
140.01143	2.6
141.01961	2.8
143.03473	0.6
145.02965	1.4
147.04550	0.5
149.02452	0.6
149.04594	0.6
151.00388	9.8
152.01164	1.9
152.04805	18.1
153.01930	1.1
153.05495	1.5
155.03520	1.0
161.02402	1.2
161.04646	0.7
163.04042	4.9
166.99867	0.7
167.03510	2.3
167.07158	10.1
168.00641	4.8
168.07423	0.6
169.01436	66.2
170.01784	1.9
173.02464	0.7
175.04015	0.5
177.01881	0.7
177.05569	0.7
179.03543	1.1
181.01340	0.7
183.03009	1.9
185.02469	0.6
190.02888	0.6
191.03479	1.0
193.01407	0.7
201.01915	1.3
203.03485	0.9
211.02518	2.0
214.99950	0.5
217.01453	0.8
225.49443	0.5
229.01469	2.2
230.02185	0.7
241.03604	0.6
242.99185	0.7
245.00880	1.1
253.03571	0.8
257.00922	2.2
258.01559	1.2
273.00516	1.0
275.02029	5.8
285.00385	0.7
297.06039	0.7
298.98523	0.7
299.99164	0.8
300.99896	9.8
301.19843	0.6
302.00296	1.5
307.92792	0.6
313.05673	16.1
314.06082	0.6
319.08194	1.5
327.07224	1.4
329.08713	0.7
418.14832	0.6
481.13531	100.0
482.13889	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	481.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58714	0.5
52.62665	0.5
54.50858	0.5
59.01381	10.2
59.81683	0.5
63.09556	0.5
67.01875	0.7
69.03455	1.2
69.62507	2.0
71.01391	7.8
73.02940	1.2
78.01131	0.5
78.69482	0.6
79.01900	1.2
81.03481	0.6
83.01396	1.0
85.02966	2.7
85.44308	0.5
87.00874	1.0
89.02441	4.0
93.03472	1.3
95.01401	2.3
95.43871	0.6
97.02948	1.9
99.00894	0.6
101.02463	2.9
107.01395	10.5
107.02129	0.6
111.00869	1.9
113.02466	2.9
117.03439	0.6
119.03490	1.4
119.05020	3.9
121.02959	1.4
122.03758	2.9
123.00889	16.7
123.01752	0.9
123.04535	1.9
124.01693	12.6
125.02456	50.5
126.02791	0.8
127.00380	0.8
131.03439	0.7
133.02948	0.7
135.04471	0.7
136.98837	1.0
137.02444	2.2
139.00410	2.5
139.04005	1.0
140.01143	2.6
141.01961	2.8
143.03473	0.6
145.02965	1.4
147.04550	0.5
149.02452	0.6
149.04594	0.6
151.00388	9.8
152.01164	1.9
152.04805	18.1
153.01930	1.1
153.05495	1.5
155.03520	1.0
161.02402	1.2
161.04646	0.7
163.04042	4.9
166.99867	0.7
167.03510	2.3
167.07158	10.1
168.00641	4.8
168.07423	0.6
169.01436	66.2
170.01784	1.9
173.02464	0.7
175.04015	0.5
177.01881	0.7
177.05569	0.7
179.03543	1.1
181.01340	0.7
183.03009	1.9
185.02469	0.6
190.02888	0.6
191.03479	1.0
193.01407	0.7
201.01915	1.3
203.03485	0.9
211.02518	2.0
214.99950	0.5
217.01453	0.8
225.49443	0.5
229.01469	2.2
230.02185	0.7
241.03604	0.6
242.99185	0.7
245.00880	1.1
253.03571	0.8
257.00922	2.2
258.01559	1.2
273.00516	1.0
275.02029	5.8
285.00385	0.7
297.06039	0.7
298.98523	0.7
299.99164	0.8
300.99896	9.8
301.19843	0.6
302.00296	1.5
307.92792	0.6
313.05673	16.1
314.06082	0.6
319.08194	1.5
327.07224	1.4
329.08713	0.7
418.14832	0.6
481.13531	100.0
482.13889	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	481.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01384	30.3
67.01886	1.1
69.03448	1.0
71.01387	6.4
72.99315	3.3
73.02953	1.8
75.00912	0.8
79.95741	28.1
80.96523	24.3
83.01403	2.7
85.02964	2.6
87.00868	6.5
89.02477	1.0
94.98091	1.3
95.95282	0.7
96.96019	100.0
98.21907	2.5
99.00877	4.3
99.04533	2.8
101.02443	1.8
103.00362	1.6
111.00899	10.1
113.02438	2.7
115.00359	2.2
120.96003	5.2
123.00915	0.8
124.01714	0.9
127.00454	0.9
129.01936	5.6
136.95532	1.3
138.97093	7.6
139.00400	0.9
141.01976	1.5
148.95563	0.7
148.99141	0.7
150.97104	1.3
154.96571	1.7
159.02943	1.9
163.20995	0.7
166.96571	0.9
182.67287	0.7
192.98129	2.2
201.04025	3.0
210.99239	1.0
220.97638	1.5
222.99171	1.0
229.01283	0.8
238.98692	6.4
241.00227	5.3
253.00163	2.3
256.99756	14.5
280.99762	11.6
283.01260	6.7
299.00787	29.6
300.01083	1.3
300.99722	1.0
395.09091	1.4
395.13831	17.6
437.14880	91.9
438.15262	6.2
481.13773	32.5
482.13953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01384	34.9
61.98843	7.1
71.01388	7.0
71.44717	1.1
72.99323	6.8
73.02940	1.4
75.00841	1.0
76.91384	1.0
76.97054	1.3
79.95296	1.8
79.95744	26.8
80.96527	24.6
83.01391	7.8
85.02952	3.2
87.00880	9.0
89.02437	1.0
94.98106	1.6
95.01382	1.2
96.96023	100.0
97.02940	1.0
99.00887	4.2
99.04546	3.1
101.02446	3.7
103.00376	3.2
106.06641	1.3
111.00905	14.1
113.02449	2.7
115.00355	2.1
118.43518	0.9
120.96045	5.4
121.81189	0.9
125.02423	1.7
129.01982	4.5
133.02974	1.2
134.03725	1.1
136.95532	1.6
137.31482	1.2
138.97089	8.1
141.01915	1.8
150.97122	1.7
153.01909	1.2
154.96564	2.7
159.03035	2.1
159.04399	1.4
164.21811	1.1
166.96518	1.1
173.06129	2.0
174.06766	1.3
175.07692	1.2
177.20512	1.0
178.02814	1.2
181.30620	0.8
187.02431	1.1
192.98125	2.2
201.03996	1.6
215.07146	0.9
217.08806	1.2
229.01643	0.9
238.98663	8.0
241.00208	6.4
249.10678	1.0
253.00377	1.0
256.99716	16.6
259.09680	1.1
275.01968	3.0
275.09305	1.7
280.99753	11.0
281.12802	1.2
283.01321	7.9
299.00803	35.4
300.99890	5.1
395.13840	21.9
396.13947	1.5
408.17575	1.1
437.14874	90.7
438.15222	6.7
463.16043	2.9
481.06311	2.0
481.13135	27.2
482.14044	1.5
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
53.76383	0.4
57.03448	1.1
59.01384	6.2
61.98816	0.7
67.01911	0.8
68.94788	0.5
69.03460	1.8
69.11779	2.3
71.01392	3.6
72.99316	1.4
73.02944	0.6
75.00883	5.0
78.01099	0.7
79.01887	0.8
79.92996	0.5
82.00627	0.6
83.01389	0.7
83.05023	0.5
85.02952	2.9
87.04511	0.5
89.02460	1.9
95.01430	2.4
97.02957	1.2
99.00878	1.5
99.19527	0.4
101.02457	2.4
107.01411	7.5
109.02955	0.7
110.00085	0.7
111.00880	2.0
113.02452	1.1
116.38914	0.4
123.00909	11.9
124.01686	12.5
125.02466	35.6
126.02805	0.8
129.01968	1.3
134.80659	0.5
136.98827	1.6
137.02443	0.5
139.00424	2.7
140.01178	2.7
141.01956	1.8
142.54984	0.4
151.00398	6.4
153.01862	0.5
154.14206	0.4
158.90048	0.4
159.03006	1.4
166.99878	1.0
167.03543	0.6
168.00681	6.5
169.01445	55.9
170.01772	1.4
171.87503	0.5
177.04062	19.1
178.04391	0.6
184.32718	0.5
211.02512	5.7
241.03577	0.8
246.15860	0.6
259.79916	0.5
263.16553	1.0
263.71964	0.5
264.16864	2.0
265.17139	1.2
271.04572	3.8
275.01974	0.6
297.06049	1.7
300.99939	1.3
311.03915	0.6
329.05161	8.3
330.05344	0.7
453.17810	0.6
480.30521	1.2
481.17191	100.0
481.31250	3.1
482.17514	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	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63861	0.4
55.01870	0.6
57.03442	0.9
58.63885	0.5
59.01385	6.6
61.98838	4.0
62.68879	0.5
66.14190	0.5
69.03456	1.1
69.22014	1.9
69.22418	1.1
71.01397	4.9
72.99310	1.6
73.02952	2.2
81.03452	1.0
83.01395	2.3
83.05032	0.6
85.02945	3.0
87.00877	1.1
89.02456	1.5
93.03495	0.7
95.01400	1.8
97.02974	0.8
97.06607	0.8
99.00892	0.6
101.02441	2.5
107.01404	0.9
108.02186	50.7
109.02966	50.6
110.03330	0.6
111.00880	1.0
113.02454	1.8
123.00901	2.2
123.04539	0.7
124.01660	1.9
125.02464	3.2
133.02960	0.8
134.03743	1.5
135.00937	0.6
135.04556	4.2
137.02463	1.0
137.12531	0.5
139.04115	0.5
139.11305	1.4
142.43535	0.5
145.01472	1.2
145.02887	0.7
151.00380	1.2
151.04030	1.0
152.01172	49.0
153.01964	21.7
159.04532	1.0
161.02531	1.0
161.04636	1.0
163.04065	1.0
165.01932	0.6
168.00693	1.1
169.01434	4.5
175.04121	0.7
177.19382	0.5
179.03635	0.7
183.10254	1.9
187.02505	0.6
201.14903	0.8
225.04175	0.5
229.01619	0.7
238.11031	0.5
272.81165	0.6
275.01999	2.0
289.14465	0.5
297.06216	0.8
300.99936	4.6
315.07187	1.8
316.41891	0.5
379.29813	0.6
456.98569	0.5
463.16055	0.8
481.06110	2.8
481.17181	100.0
482.17514	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	481.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
61.98834	0.4
70.12834	0.6
70.13171	0.3
71.01391	1.1
75.50182	0.2
76.27413	0.2
81.03461	0.4
83.01389	0.6
85.02955	0.3
87.00894	0.2
89.02469	0.7
93.03454	0.7
95.01393	0.5
95.05025	0.9
98.05685	0.2
101.02467	0.3
105.03449	0.3
106.69157	0.2
107.01395	0.3
121.02970	0.5
122.03757	1.0
123.00916	0.8
123.04535	71.1
124.01698	1.5
124.04866	2.1
125.02480	2.3
126.02782	0.6
131.03499	0.2
135.04510	0.6
137.02467	0.4
139.04074	1.2
151.02748	0.8
151.03926	0.3
152.03079	0.4
152.99544	0.6
153.05586	100.0
154.05914	2.4
161.02525	0.3
166.05110	6.3
167.05452	3.2
167.73218	0.3
168.00658	0.3
169.01443	2.7
170.01807	1.1
179.03471	0.3
183.10271	0.6
187.02353	0.2
254.59059	0.2
275.01883	0.4
297.09866	0.4
300.99911	1.2
313.05701	2.9
314.06033	4.0
315.06070	0.3
481.05951	0.3
481.11624	3.4
481.17453	1.8
481.31348	0.8
482.11722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78381	1.2
55.01877	2.6
57.03457	3.7
59.01385	92.0
60.01728	1.7
61.98824	5.0
71.01387	52.1
72.99316	2.5
73.02953	21.6
79.20745	1.3
79.58325	1.1
83.01395	9.2
85.02956	28.3
87.00915	2.1
89.02452	9.0
93.03458	7.3
95.01385	5.0
97.02934	1.6
99.00883	9.2
101.02449	41.3
108.02181	7.1
109.02952	7.0
113.02449	24.7
123.00858	1.4
123.72610	1.3
124.01713	2.7
125.02441	2.9
129.01947	1.5
130.30162	1.4
131.03513	40.7
132.70979	1.3
134.03735	2.3
135.04535	13.8
136.04070	1.9
137.02463	8.4
138.05618	3.1
139.03978	1.4
143.03487	3.0
152.01144	6.3
153.01910	4.2
153.05605	2.6
159.03008	3.9
161.04578	30.1
169.01427	2.6
179.03496	9.2
180.02974	1.6
183.10291	1.7
199.09711	1.8
275.01849	3.0
275.10458	3.0
289.16592	100.0
290.16928	3.9
297.09772	1.8
300.99887	3.0
315.10837	4.4
343.16949	1.4
383.53107	1.3
403.72745	1.4
421.20850	17.1
481.06216	2.9
481.17181	25.1
481.31680	6.9
482.17609	4.3
496.42422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31480	0.8
59.52818	0.8
63.40704	0.9
67.23485	0.8
69.23862	5.3
78.95908	42.2
96.96958	3.3
101.28511	1.0
133.83458	0.8
139.98163	0.9
149.66425	0.9
152.99599	60.1
171.00645	16.0
195.97336	1.0
227.03291	3.9
245.04321	100.0
246.04736	2.0
253.21750	64.2
254.22005	4.4
300.99777	1.0
341.47958	1.0
368.78830	1.2
375.30203	1.0
477.71323	0.9
481.06512	1.3
481.25696	29.0
481.32510	1.6
482.26111	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2599
Annotation	Strychnofoline
Peak:m/z	Relative Intensity
62.27370	0.5
68.64406	0.5
69.22057	2.9
70.77405	0.5
71.05025	5.6
75.10341	0.5
82.88239	0.6
89.70109	0.6
98.22688	1.0
105.75827	0.5
116.00083	0.6
121.02900	0.6
123.08134	0.9
135.04561	1.0
136.05305	1.6
137.06064	2.5
138.90665	0.7
149.06111	5.6
150.06862	1.2
161.06172	1.2
162.06873	5.5
163.07668	12.3
164.08127	0.6
187.07640	7.7
188.08353	1.6
189.09181	9.5
189.12900	0.7
197.11835	1.3
201.09215	1.0
203.07126	0.5
203.10796	10.8
215.07201	3.0
257.15546	0.6
275.02023	1.5
279.18622	0.6
288.77090	0.7
300.99918	3.3
309.32925	0.5
323.16531	1.4
323.20041	1.3
323.61002	0.6
337.18155	2.0
339.19608	5.5
340.19803	0.7
351.19702	6.6
353.21240	3.7
363.19653	1.6
365.21210	0.9
391.19345	0.6
395.25867	1.0
401.92365	0.6
407.22046	1.1
409.27414	6.4
410.27859	1.1
419.25482	0.9
421.23895	1.6
422.24512	2.6
437.26395	15.6
438.27347	2.2
466.23611	1.0
481.06476	2.0
481.25986	100.0
482.26340	11.9
502.78860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2963
Annotation	Zhankuic Acid A Methyl Ester
Peak:m/z	Relative Intensity
53.45372	0.5
55.01874	0.6
57.03445	2.3
59.01379	0.6
61.98824	0.6
69.33820	1.5
69.34223	1.8
71.01409	0.8
73.02949	8.3
82.57751	0.6
132.49051	0.6
168.27322	0.6
173.66269	0.5
174.88876	0.7
175.73366	0.5
275.01938	0.8
300.99945	2.2
481.06348	2.0
481.29630	100.0
482.29965	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21141	0.3
50.59962	0.4
59.01380	1.1
60.29953	0.4
69.61348	0.3
71.01385	1.0
71.35016	0.4
90.67328	0.4
95.01380	0.6
96.96012	0.8
98.22665	0.7
107.01430	1.4
117.03472	0.6
123.00887	1.4
124.01702	1.1
125.02477	4.0
139.00400	0.4
140.01111	0.5
141.01930	0.4
143.12276	0.4
144.02156	0.6
145.02977	1.0
146.69890	0.4
151.00409	1.3
153.01877	0.5
157.02946	0.6
159.49307	0.4
160.01657	0.6
163.03961	0.5
168.00694	0.6
169.01465	5.4
171.20569	0.5
172.01671	1.7
173.02451	1.4
177.04068	1.3
185.02429	2.5
187.00369	0.7
199.00516	0.5
200.01181	1.0
201.02008	2.8
203.55176	0.5
214.99855	2.0
216.00575	1.4
226.99847	1.0
228.00670	0.8
229.01428	3.4
242.99387	3.2
244.00089	1.8
245.00993	1.8
254.99281	0.5
257.00955	1.5
270.98865	9.3
271.99496	1.6
273.00296	0.4
282.98895	1.4
283.99548	3.2
285.00314	2.0
298.98361	15.8
299.99124	17.1
300.99918	100.0
302.00247	6.5
385.38922	0.5
397.06842	0.5
407.00235	0.8
450.99557	2.7
483.02310	2.9
483.18820	11.0
484.18689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74552	2.7
72.74538	0.7
79.42928	0.7
98.22569	1.3
125.02423	1.3
167.04988	1.5
169.01427	1.9
179.04961	1.0
193.79767	0.7
195.04526	2.0
207.04518	1.6
211.04004	2.2
221.02452	1.0
223.04002	2.6
227.16930	0.9
229.01381	0.8
233.02614	0.9
234.03281	0.9
235.03992	2.1
239.03555	2.2
244.00110	1.0
249.01897	1.6
251.03526	3.6
255.02910	1.1
262.02869	0.8
266.02310	1.1
267.03040	4.7
270.98926	1.5
277.01471	1.5
279.02881	3.5
283.02469	1.5
293.00790	0.9
294.01614	1.0
295.02567	5.5
298.98398	1.7
299.99124	6.1
300.99838	4.6
305.00992	1.3
306.01587	1.2
307.02499	2.0
309.00375	0.9
311.01898	3.9
321.00467	2.3
322.01175	2.4
323.01950	9.7
324.99817	1.8
333.00381	1.7
334.01059	1.3
335.01901	6.3
338.00571	5.4
339.01462	8.9
348.99933	2.5
350.00644	2.6
351.01492	10.9
352.01910	1.3
352.99579	1.3
360.99860	1.7
363.01657	3.6
366.00110	3.2
367.00977	11.7
376.99310	4.6
377.99936	1.1
379.00952	10.6
395.00433	11.5
404.98868	4.6
405.99518	1.2
407.00461	8.3
422.99963	7.5
432.98410	13.7
433.98724	1.8
437.01828	0.9
450.99448	100.0
451.99847	8.7
483.02084	85.7
484.02420	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	483.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.6
59.01382	1.3
66.36201	0.5
69.03458	1.3
71.01382	1.4
71.72295	0.5
74.41100	0.6
74.75474	0.5
76.59269	0.6
81.03450	1.5
85.02959	1.0
89.86829	0.5
90.86979	0.5
95.01417	1.3
97.02958	2.2
101.02473	0.9
103.60451	0.6
107.01418	6.0
111.00877	1.5
113.02454	1.0
113.56120	0.5
121.41247	0.6
123.00892	4.2
124.01669	10.4
125.02460	88.3
126.02798	1.6
128.82008	0.6
137.02429	1.0
139.00395	1.9
140.01213	1.0
141.01991	0.7
146.08253	0.7
151.00374	2.2
165.02034	0.7
167.03593	1.0
168.00676	7.4
169.01442	100.0
170.01776	3.0
173.02444	0.6
175.04039	0.7
181.01495	0.6
183.03004	0.9
193.01448	3.1
200.29742	0.6
210.20494	0.6
211.02493	17.9
212.02750	0.9
229.01414	0.8
241.03563	1.7
271.04614	14.2
275.01993	1.7
287.07813	6.3
295.04684	0.8
300.99896	1.9
313.05695	13.8
325.41763	0.7
331.06723	13.1
331.10663	0.8
339.01370	0.7
423.05527	1.3
439.08841	16.2
440.09241	1.5
465.06674	1.2
483.07797	43.8
484.08212	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92340	0.5
59.01386	8.0
69.03497	1.6
71.01395	5.3
73.02988	0.7
81.03506	1.3
82.07047	0.6
85.02988	1.3
87.00920	0.7
89.02457	3.6
90.07397	0.7
95.01438	1.6
97.03014	2.9
99.00936	0.8
101.02518	1.8
107.01411	4.6
111.00925	1.9
113.02482	1.8
119.03578	0.8
121.24899	0.6
123.00893	5.4
124.01697	7.3
125.02458	74.4
126.02823	1.7
137.02451	1.5
139.00406	2.5
140.01192	1.3
145.02980	0.9
146.08191	1.0
147.04503	0.9
149.02425	0.8
149.99577	2.3
151.00406	3.2
151.04082	0.8
153.01939	1.7
154.02727	2.7
161.02457	1.1
161.04727	0.6
163.04057	1.7
166.99896	0.6
168.00677	9.1
168.06709	1.0
169.01439	100.0
169.05099	2.3
170.01711	3.0
173.02470	1.2
174.03061	0.6
181.01474	1.5
182.01997	0.6
183.02965	1.3
185.02507	0.9
188.24858	0.7
189.01956	1.1
191.03477	1.2
201.01808	1.1
203.03426	1.1
211.02408	2.0
217.01340	1.6
219.02982	0.8
228.07861	0.8
229.01352	2.3
241.03497	2.1
243.10158	2.9
245.00798	1.5
247.02504	1.1
249.04019	1.0
257.00861	1.1
258.01395	0.7
261.00327	1.1
271.04346	2.0
272.43005	0.6
274.00909	0.9
275.01990	5.5
276.02121	0.9
277.03345	2.7
287.07648	0.7
299.98834	1.0
300.97003	0.7
300.99896	8.1
302.00073	1.9
303.01096	1.3
313.05685	26.1
314.06018	0.9
331.06766	10.4
336.06717	0.7
339.01288	2.2
367.00543	2.1
391.02896	1.5
391.52905	1.0
407.03973	0.9
423.16214	1.0
439.08420	2.3
482.23108	1.5
483.07251	30.5
483.22662	1.1
484.07791	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	483.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
67.01886	1.0
69.03468	1.4
69.40564	3.2
71.01390	7.7
71.05028	3.7
73.02973	1.4
79.01904	0.9
81.03465	1.2
82.00544	1.0
83.01409	1.2
85.02959	1.4
88.04057	1.7
89.02455	0.9
95.01399	3.1
97.02963	2.5
99.04536	1.5
101.02460	2.5
107.01395	9.6
111.00904	0.9
113.02443	1.4
123.00891	7.7
124.01678	18.8
125.02460	81.9
126.02779	1.7
136.98778	1.0
137.02484	1.6
138.03305	1.0
139.00398	2.2
140.01170	2.5
141.01949	1.1
145.02953	1.6
146.08237	14.6
147.08595	2.3
149.02452	0.8
151.00391	4.3
153.01945	1.1
154.07054	0.6
155.03493	0.7
163.04059	0.9
165.01927	2.0
167.03491	1.1
168.00664	14.2
169.01440	100.0
170.01810	2.3
181.01414	2.8
183.02963	2.4
191.03459	0.9
193.01442	7.7
200.09219	1.1
202.40486	0.7
203.03596	1.0
207.02953	1.5
211.02504	32.9
212.02936	1.2
217.01443	0.7
218.10411	2.1
229.01208	1.1
241.03534	3.1
253.03560	1.8
271.04636	20.8
273.07599	0.7
275.01965	4.6
276.02481	0.8
281.12531	1.3
287.07721	3.5
300.99857	4.7
302.00131	0.9
313.05685	8.9
319.41614	0.8
325.79480	0.9
331.06775	9.3
339.01535	1.1
367.00821	1.3
405.05020	1.4
423.05743	30.3
424.06070	2.1
439.08856	7.7
483.07803	88.1
484.08173	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0785
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01418	0.5
62.77122	0.3
65.35541	0.4
67.01917	0.4
69.03484	0.9
70.45880	1.0
71.01412	1.0
79.01942	0.7
81.03493	1.3
89.02563	0.4
94.26068	0.4
95.01437	0.7
97.02998	1.7
101.02486	0.7
107.00710	0.7
107.01393	5.4
111.00932	0.7
113.02428	0.4
123.00914	4.5
124.01669	8.6
125.02460	100.0
126.02824	1.5
135.50186	0.5
137.02515	0.5
139.00377	1.9
139.04053	1.0
140.01183	0.9
149.02519	0.5
151.00398	2.1
153.01938	0.7
154.02672	0.6
167.03514	0.5
168.00652	6.9
169.01437	76.8
169.05032	1.5
170.01718	1.9
193.01456	2.7
200.55530	0.4
211.00684	0.5
211.02504	7.7
224.34540	0.5
241.03572	0.5
271.04626	7.4
275.01978	0.8
287.07745	15.4
288.07938	0.5
300.99713	0.9
313.05667	10.3
325.47455	0.4
331.06738	23.8
331.10416	0.9
332.06665	1.2
367.00571	0.5
389.89120	0.4
439.08829	34.4
439.14441	1.1
440.09186	2.2
465.06747	2.1
483.07068	15.9
484.07632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0785
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01877	0.6
59.01384	2.0
69.03461	1.6
69.47807	0.9
69.48164	2.2
71.01382	2.3
73.37114	0.4
79.01893	1.1
81.03462	2.3
81.26954	0.5
83.01378	0.7
85.02947	2.9
89.02464	0.9
90.32702	0.4
95.01404	2.1
97.02975	2.4
98.22649	1.0
101.02453	3.4
107.01398	8.0
111.00869	0.6
113.02462	6.1
123.00906	6.4
124.01693	4.1
125.02459	81.5
126.02829	1.4
139.00403	0.8
141.01968	1.1
147.82584	0.4
151.00398	4.7
163.73979	0.4
165.01952	0.6
168.00641	1.9
169.01440	100.0
170.01772	1.8
179.03510	1.1
183.03015	0.6
191.03371	0.5
193.01428	1.8
211.02536	4.6
223.02536	0.5
241.03456	0.5
258.01511	0.7
271.04587	1.8
275.02011	1.5
295.04755	0.5
300.99850	2.4
313.05661	10.3
314.05969	0.9
331.06741	19.8
332.07074	1.0
332.32715	0.5
359.92163	0.5
439.08768	1.5
454.22836	0.4
483.07803	59.1
484.08136	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	483.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95910	0.5
59.01384	2.7
60.23257	0.5
60.99975	0.5
62.51582	0.5
65.00332	0.8
67.01914	0.9
69.03477	0.9
69.13085	3.4
71.01391	4.3
73.02951	1.4
77.45923	0.8
78.01144	0.7
79.01890	1.0
83.01393	1.0
85.02961	1.3
88.49461	0.5
89.02472	1.4
95.01411	2.3
96.25179	0.6
97.02979	2.3
99.00928	0.7
101.02480	2.0
107.01408	9.0
107.02072	1.0
108.86381	0.5
110.00095	0.5
111.00879	4.4
113.02483	2.3
117.03481	0.6
123.00903	15.8
124.01692	17.2
125.02462	50.5
126.02861	1.4
127.00434	0.7
136.98853	1.9
137.02449	1.2
138.03299	0.9
139.00395	20.8
139.04080	2.1
140.01186	11.9
140.22845	0.6
141.01959	4.7
149.99637	1.9
151.00401	6.8
153.01950	4.6
154.02747	12.8
155.03523	5.1
161.02544	1.1
165.01961	1.0
166.99913	1.1
167.03564	1.0
168.00665	10.7
169.01447	57.3
169.05064	6.1
170.01883	1.6
181.01524	2.3
182.02142	0.6
183.03011	9.1
190.02719	0.9
193.01489	1.0
200.01398	0.5
203.03560	0.8
211.02655	2.3
217.01491	1.6
225.04123	1.8
229.01488	1.5
241.03601	1.5
243.10257	1.1
245.00983	1.4
249.04124	1.3
257.01077	0.7
261.00339	1.0
271.04715	1.1
273.00500	0.7
274.01221	1.3
275.02032	5.2
277.03711	1.7
285.06259	2.7
297.06281	2.2
299.99359	1.2
300.99881	7.1
302.00360	1.9
303.01520	1.4
313.05698	13.6
314.06085	1.0
327.07239	4.0
331.06802	5.6
339.01630	0.8
367.00943	1.2
483.11765	100.0
484.12256	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	483.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40240	0.7
58.95314	0.6
59.01327	1.5
66.36416	0.6
69.03409	1.2
69.40189	3.1
69.85150	0.7
71.01308	3.7
73.02887	0.8
78.01031	0.9
79.01855	1.3
81.03432	1.6
83.01344	1.1
85.02915	1.2
89.02395	0.6
95.01325	1.9
97.02906	2.0
99.69560	0.6
101.02395	1.1
107.00734	0.8
107.01383	10.3
107.79708	0.7
110.00033	1.9
111.00900	4.7
113.02406	1.5
119.79486	0.7
123.00143	0.7
123.00896	9.7
124.00745	0.7
124.01675	31.5
125.02460	77.8
126.02746	1.8
127.00328	1.0
136.98795	2.5
137.02406	1.1
137.99557	0.8
138.03070	0.7
139.00388	10.4
139.03992	1.4
140.01166	7.7
141.01897	1.8
151.00395	6.9
152.01143	0.9
153.01944	8.1
154.02751	7.5
155.03548	3.9
167.03491	3.0
168.00650	14.0
168.04321	1.5
169.01436	100.0
169.05060	2.6
170.01793	2.9
183.03006	2.9
193.01418	1.3
211.02495	8.0
229.01414	0.9
241.03683	2.4
253.03677	0.9
271.04611	7.7
275.02203	1.4
287.08270	0.7
297.06229	6.6
300.99878	3.2
313.05679	28.3
314.06284	1.5
323.47418	0.7
327.07559	2.4
331.06631	4.6
337.79468	0.7
409.87344	0.7
439.09460	0.8
451.09238	0.8
483.12338	91.3
484.01968	0.7
484.12595	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	483.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76966	0.4
59.01380	0.4
63.07736	0.5
69.03454	1.0
69.06016	1.1
69.06431	1.8
71.01394	2.4
73.02916	0.5
73.64256	0.4
78.01131	0.6
79.01897	0.6
81.03456	0.5
83.01414	0.7
85.02956	1.2
89.21005	0.4
95.01410	1.5
97.02941	0.8
98.22632	0.8
99.00882	0.9
101.02484	0.8
107.01414	6.6
110.00105	0.5
111.00871	3.0
113.02459	1.2
123.00899	11.6
124.01679	16.2
125.02467	27.3
126.02770	0.6
127.00406	0.6
131.69029	0.4
136.98808	0.6
137.02461	0.9
137.03365	0.4
138.03233	0.5
139.00392	19.0
139.03986	2.0
140.01184	9.4
141.01991	3.5
141.18312	0.4
147.36354	0.4
151.00374	4.9
153.01938	3.0
154.02736	12.5
155.03500	4.4
167.03532	0.6
168.00644	6.2
168.04320	0.5
169.01443	27.7
169.05104	4.7
170.01772	0.7
177.01791	0.5
182.02252	0.7
183.03012	8.1
197.04597	0.5
211.02484	0.7
225.04088	1.3
275.02103	2.1
285.06189	2.3
297.06232	1.7
300.99924	2.3
312.04947	0.9
313.05673	6.8
327.07251	5.6
331.06683	0.5
337.43890	0.5
357.09619	0.4
483.11523	100.0
484.11899	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	483.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81028	0.5
59.01383	6.2
61.98822	1.6
67.01893	0.9
69.03439	0.7
69.15710	0.9
69.16120	1.8
71.01398	2.7
73.02943	0.5
78.01112	0.7
79.01904	1.0
82.00628	0.5
83.01379	0.7
85.02969	1.2
89.02435	1.6
89.19557	0.4
95.01401	1.9
96.96025	1.9
97.02947	1.5
99.95904	0.5
101.02428	1.8
107.01403	4.5
111.00890	1.5
113.02422	0.9
122.43210	0.5
123.00897	17.4
124.01680	14.0
125.02462	17.2
127.00396	0.9
135.04539	0.4
136.98828	1.2
137.02391	0.6
139.00381	2.5
140.01173	2.0
141.01958	4.2
151.00381	11.5
152.00827	0.4
153.01854	0.6
162.49879	0.4
163.54897	0.4
168.00671	5.2
169.01440	22.2
170.01820	0.6
177.04056	1.7
209.04568	0.5
211.02478	2.4
271.04709	1.2
313.05801	0.9
425.36823	0.5
463.25629	0.5
483.18750	100.0
484.19122	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	483.1876
Annotation	Globulusin A
Peak:m/z	Relative Intensity
54.20215	0.2
57.03437	0.3
58.58282	0.2
59.01384	4.7
65.35279	0.2
67.01885	0.7
68.37943	0.2
69.03449	1.0
69.13580	1.3
71.01386	3.3
72.99313	0.4
73.02959	0.7
75.00875	1.0
78.00207	0.2
78.01113	0.6
79.01904	0.9
81.03467	0.3
82.00620	0.3
83.01387	0.8
83.30857	0.2
85.02953	1.9
86.00143	0.2
87.00866	0.3
89.02422	1.1
95.01396	1.8
96.96014	0.3
97.02953	1.0
99.00877	0.5
101.02451	2.1
104.39462	0.2
107.01398	4.6
110.00120	0.3
111.00896	1.7
113.02454	1.2
117.18942	0.2
123.00896	16.3
123.04520	0.3
124.01678	14.5
125.02460	19.0
126.02817	0.5
127.00381	0.5
129.01935	0.5
135.04530	0.7
136.98781	1.1
137.02437	0.4
139.00388	3.2
139.04007	0.3
140.01180	2.1
141.01971	2.9
151.00383	10.3
151.04002	0.3
153.01965	0.7
159.02986	0.3
163.04076	0.5
165.01869	0.3
167.03484	0.2
168.00644	4.4
168.01996	0.4
169.01437	26.8
170.01836	0.4
177.04065	4.0
181.05046	0.4
182.54625	0.2
184.16426	0.2
211.02466	2.4
253.03542	0.4
271.04672	1.4
300.99994	2.1
313.05704	0.8
320.14993	0.2
329.05243	1.5
413.14554	0.4
483.18744	100.0
484.19107	8.4
484.26181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40554	0.3
53.88330	0.3
55.01881	0.4
57.03448	1.0
59.01385	5.1
60.51913	0.3
61.98830	0.4
67.01897	0.9
69.03438	1.2
69.35873	0.5
69.36277	1.2
71.01384	4.7
72.99297	1.3
73.02943	0.8
75.00877	6.6
79.01889	1.0
81.03458	0.6
82.00607	0.4
83.01411	0.6
85.02956	3.8
87.00886	0.9
89.02458	1.1
95.01393	1.3
97.02968	1.7
98.21943	0.5
98.66587	0.3
99.00921	1.3
101.02449	2.8
104.07494	0.3
107.01401	8.7
111.00918	1.1
113.02460	1.0
113.36615	0.3
115.03973	0.4
119.23858	0.3
123.00903	9.9
124.01678	10.2
125.02460	37.7
126.02815	1.2
127.00378	0.4
129.01942	2.1
135.04564	0.4
136.98865	0.5
137.02435	0.5
139.00378	1.9
139.04045	0.3
140.01184	1.6
141.01962	2.2
150.03252	0.3
151.00378	5.7
153.01886	0.3
159.03011	1.7
161.02391	0.3
165.05615	0.4
168.00635	3.7
168.09413	0.3
169.01434	61.1
170.01788	1.9
177.04054	24.4
178.04407	0.8
179.03516	0.4
211.02510	4.0
241.03642	0.3
271.04428	1.6
287.09268	0.4
294.34818	0.3
297.06149	0.6
300.99866	0.5
311.03961	0.4
313.05652	0.5
329.05161	8.8
330.05630	0.5
483.18771	100.0
484.19110	9.6
484.26190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30954	2.8
59.01371	14.4
71.01389	6.1
73.02972	3.3
75.00887	3.2
78.36993	2.6
83.05067	3.0
85.02970	3.6
89.02434	4.0
91.15382	3.1
95.01360	3.6
101.02467	5.7
107.01385	5.1
108.02215	6.3
111.00895	3.5
113.02501	3.7
123.00906	23.8
124.01710	17.0
125.02475	28.6
135.04533	6.0
150.03267	7.1
151.00391	10.6
165.05489	3.5
166.99869	2.9
168.00664	3.5
169.01450	30.7
195.06589	3.3
217.00398	3.6
234.67352	2.9
245.01077	3.5
271.04636	6.0
275.01837	5.5
283.70566	3.1
287.09229	22.2
300.99756	7.4
450.99881	4.8
483.19052	100.0
484.19144	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	483.2733
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
60.09098	1.6
62.04524	1.8
68.60409	1.6
74.14236	1.6
77.46864	1.8
78.95923	10.7
91.72115	1.6
98.22648	3.3
123.19098	1.9
130.89847	1.7
152.99602	20.8
161.53621	2.1
227.03250	3.4
255.23320	100.0
256.23593	5.4
282.93875	2.0
334.92914	1.7
398.06180	1.8
432.77634	1.9
483.27216	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	483.2759
Annotation	6',7'-Dihydroxybergamottin octanal acetal
Peak:m/z	Relative Intensity
57.64772	0.5
59.01381	1.4
59.78198	0.6
65.03346	0.6
66.98848	0.7
67.01865	1.2
69.16319	1.6
69.16724	2.3
71.05023	8.3
87.00863	2.8
97.06566	0.9
98.21965	1.5
104.00749	0.7
106.27503	0.6
111.00889	35.4
112.01182	0.8
125.02396	0.6
136.05284	1.5
137.06065	1.8
149.06078	0.8
155.64957	0.6
163.62440	0.6
168.57251	0.6
169.01450	1.0
173.00909	2.4
223.17595	0.6
287.16623	1.2
295.20508	0.9
300.99899	0.8
339.19632	1.9
341.21249	19.0
342.21524	1.1
350.22690	0.7
353.21228	13.9
354.21680	1.2
355.22876	1.9
365.21207	2.5
367.00922	0.8
421.27286	2.0
423.25174	2.1
437.26559	0.8
439.28564	22.1
440.28903	1.7
448.09146	0.7
461.46710	0.6
461.68112	0.6
483.27493	100.0
484.27808	10.4
502.65134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	20.0
61.98824	11.5
64.63486	9.7
71.01394	14.9
75.96818	9.9
78.95921	11.9
79.99533	10.9
86.54722	11.1
90.72154	9.5
99.91872	9.3
107.01413	18.2
109.03014	12.4
123.00925	15.2
125.02444	32.7
148.87331	10.8
151.00301	10.2
153.01952	15.7
169.01424	38.2
182.17264	9.5
280.45776	9.6
300.99948	17.5
447.22525	22.0
483.18594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	20.0
61.98824	11.5
64.63486	9.7
71.01394	14.9
75.96818	9.9
78.95921	11.9
79.99533	10.9
86.54722	11.1
90.72154	9.5
99.91872	9.3
107.01413	18.2
109.03014	12.4
123.00925	15.2
125.02444	32.7
148.87331	10.8
151.00301	10.2
153.01952	15.7
169.01424	38.2
182.17264	9.5
280.45776	9.6
300.99948	17.5
447.22525	22.0
483.18594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3121
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
57.03453	2.4
69.04467	0.3
71.01363	0.4
73.02952	6.5
83.05023	1.5
92.53285	0.3
94.75409	0.3
98.22682	0.8
107.95045	0.3
232.56535	0.3
255.21176	0.4
421.31174	0.5
483.31201	100.0
484.31528	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	483.3118
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
56.44323	0.3
60.07537	0.3
69.27176	0.6
69.27584	1.2
70.64550	0.3
71.17690	0.3
78.91910	0.3
90.28060	0.3
103.25520	0.3
144.69441	0.3
178.00890	0.3
221.15501	0.4
296.09268	0.3
311.09540	0.2
377.28781	0.4
419.29309	0.4
423.29218	0.4
426.08670	0.3
437.30725	0.6
439.32474	1.6
440.32425	0.5
453.85287	0.3
483.31174	100.0
484.31494	11.9
504.37247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3122
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
61.56038	2.0
64.35114	2.0
67.32681	1.8
69.85834	6.6
73.02988	2.4
92.52548	2.1
98.21966	3.1
124.03807	2.4
169.01448	2.8
407.29529	8.5
437.30701	2.5
453.29971	4.4
477.96896	2.3
483.31229	100.0
484.31937	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	484.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01378	5.4
61.98837	14.4
62.62204	1.2
71.01385	5.8
73.02953	2.1
73.33898	1.1
75.00851	1.5
77.94621	1.1
78.22301	1.2
78.22810	1.2
79.01881	1.6
81.03435	2.1
83.01405	2.1
84.84361	1.2
85.02962	4.4
93.57103	1.5
95.01402	2.1
99.00841	1.6
101.02449	3.7
107.01408	6.0
111.00912	3.0
113.02447	2.7
123.00896	19.0
124.01723	12.9
125.02483	25.9
126.02782	3.0
139.00401	2.7
140.01208	2.8
141.01938	2.8
151.00404	15.0
161.32257	1.1
168.00652	6.3
169.01447	38.7
170.01811	6.4
177.04059	6.5
178.04424	1.5
211.02576	1.7
330.14322	1.4
350.66885	1.5
421.11459	100.0
422.11877	7.3
452.06146	1.4
483.18829	8.9
484.19144	45.0
485.19507	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	484.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49057	0.2
59.01387	0.7
61.98834	100.0
71.01386	0.4
73.02946	0.2
77.90401	0.2
80.26829	0.2
85.02965	0.3
89.02422	0.2
101.02464	0.3
112.28449	0.2
123.00892	0.7
123.04556	0.5
124.01679	1.1
124.04916	0.2
125.02464	0.6
126.02766	0.2
131.19174	0.2
135.08168	0.2
139.04042	0.6
140.04384	0.3
153.05621	0.4
155.10834	0.3
156.11124	0.4
168.00650	0.2
169.01483	0.7
170.01768	0.3
199.09816	0.4
272.05548	0.2
369.46985	0.2
376.39624	0.2
410.38193	0.2
484.19055	2.7
485.20120	1.0
497.85507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60049	0.2
61.98837	100.0
78.21892	0.2
114.51495	0.3
169.01498	0.3
484.19086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.54349	5.9
61.98830	15.2
71.01386	30.8
73.02957	12.0
76.27228	6.7
83.01358	10.8
88.96750	6.7
89.02436	12.2
96.96029	9.8
98.95602	12.7
101.02428	8.8
104.51609	6.7
113.02463	8.1
115.00400	10.3
123.00904	10.2
125.02447	8.2
135.02982	7.2
136.98569	6.7
137.09688	12.5
140.07216	41.0
152.44945	6.3
155.10780	12.7
169.01283	8.4
177.02184	6.2
193.65385	6.1
287.03448	8.2
334.16330	7.0
440.14731	8.9
466.18121	20.9
484.21371	12.6
485.19708	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	484.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21863	5.4
58.01181	6.3
59.01394	100.0
61.98819	6.2
65.42891	6.6
70.56480	8.9
71.01387	9.0
85.14958	6.3
86.92538	6.3
89.02454	9.4
98.21928	6.3
169.01335	7.5
171.10362	7.0
201.11372	18.6
209.11855	29.2
219.53728	5.7
237.86090	6.6
475.88571	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	485.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22073	0.5
57.03434	0.6
59.01082	0.9
59.01380	14.7
61.98838	8.3
67.01898	0.7
71.01382	6.1
71.44189	0.6
73.02937	1.0
78.01098	0.6
79.01892	1.7
81.03470	0.6
82.00611	0.8
83.01397	0.8
85.02951	1.6
85.59162	0.4
89.02444	2.8
89.41334	0.5
95.01405	2.8
96.96030	3.2
97.02942	1.4
101.02447	3.2
107.01394	8.6
108.55917	0.5
111.00907	2.8
113.02472	2.0
123.00898	14.4
123.04493	0.9
124.01672	21.1
125.02460	43.0
126.02771	0.9
127.00395	0.6
136.98793	1.4
137.02414	1.3
139.00394	4.2
139.03987	1.4
140.01172	3.6
141.01944	3.0
151.00366	8.4
153.01976	0.9
165.01906	0.8
167.03490	1.7
167.98547	0.8
168.00652	14.5
169.01437	57.1
170.01756	1.2
183.02785	0.7
211.02486	74.8
212.02831	2.2
241.00208	3.7
241.03566	2.2
271.04608	89.6
272.04922	4.5
292.35062	0.5
331.06754	7.4
485.20294	100.0
485.28784	7.4
486.20703	9.1
504.91223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79681	0.9
58.00621	0.9
59.01384	100.0
59.59005	0.9
61.08279	1.0
69.13174	2.8
69.13602	3.8
71.01389	15.8
73.02976	1.1
83.01408	1.3
85.02960	4.1
87.00891	10.0
88.21010	0.9
89.02454	21.9
95.01420	1.9
96.96014	1.3
101.02454	8.7
113.02479	7.9
117.10160	0.9
119.03525	9.4
123.00927	1.9
123.04542	4.4
125.02451	4.0
131.03548	1.3
137.02451	1.4
143.03511	2.4
149.06139	1.7
161.04584	3.5
169.01492	2.9
171.02063	1.4
173.06049	1.3
179.05608	6.7
186.06917	1.1
187.07759	1.1
200.08473	1.2
215.10768	6.3
227.10777	2.8
233.11740	1.1
245.11868	33.7
246.12212	1.8
255.05106	6.0
263.12973	2.5
275.02069	2.1
287.12720	1.7
300.99902	4.1
302.00204	1.1
333.07233	1.5
343.64447	1.2
407.50134	1.2
483.69064	1.0
485.08234	1.4
485.20358	1.8
504.05411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2035
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
53.39231	0.5
55.01867	0.8
57.03448	0.8
59.01387	5.8
59.69481	0.4
60.81701	0.4
61.98827	0.6
65.77411	0.4
67.01890	0.7
69.03458	0.9
71.01383	2.9
73.02944	1.4
78.01114	0.7
79.01896	1.3
81.03468	0.6
83.01392	1.3
85.02946	3.4
89.02435	1.1
89.03946	0.6
92.91979	0.5
95.01411	2.3
96.96004	0.7
97.02956	1.0
98.94953	0.4
99.00891	0.6
101.02460	3.2
101.75262	0.4
105.03497	2.5
107.01398	3.7
109.02978	0.5
110.00116	0.6
111.00934	2.6
113.02442	1.4
119.05015	1.0
123.00905	20.3
124.00855	0.8
124.01685	12.2
125.02474	15.1
126.02813	0.5
127.00359	0.6
133.02979	3.7
136.98796	1.0
139.00400	3.0
140.01213	3.2
141.01979	3.1
149.02472	0.7
151.00386	12.5
151.03810	0.5
153.01971	1.0
153.06766	0.5
163.04008	1.2
168.00650	4.4
169.01434	19.4
170.01793	1.0
177.01949	43.4
178.02335	2.3
181.05087	0.7
195.06575	0.6
211.02490	0.7
223.02338	0.6
313.05704	1.0
339.07196	1.9
485.20300	100.0
486.20569	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40132	0.2
55.01876	0.6
57.03461	0.4
59.01387	3.4
61.98842	0.4
67.01899	0.7
69.03465	0.8
69.80787	0.3
71.01395	2.4
73.02957	1.0
74.40635	0.3
77.14253	0.2
79.01903	1.2
81.03464	0.3
82.00607	0.5
83.01395	1.1
85.02956	1.9
86.00098	0.3
94.35592	0.3
95.01401	1.5
97.02955	1.3
99.00907	0.6
101.02467	2.4
107.01392	3.7
110.00120	0.5
111.00900	1.9
113.02463	0.9
123.00902	16.8
123.04559	0.3
123.40271	0.3
124.01689	9.4
125.02469	14.8
126.02811	0.4
127.00389	0.7
136.98758	1.3
139.00407	3.2
140.01183	3.2
141.01967	3.3
151.00377	11.7
152.00702	0.3
153.01981	0.8
166.99892	0.4
168.00667	4.0
169.01440	18.6
170.01698	0.5
178.99855	0.8
181.05167	0.4
193.01421	0.3
211.02621	0.3
291.08496	0.3
313.05624	1.1
336.88153	0.3
452.05957	0.3
485.20297	100.0
486.20627	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	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
69.20058	1.3
71.05038	0.6
92.36340	0.3
93.60792	0.3
95.55653	0.3
97.06608	1.6
110.90167	0.3
119.14306	0.3
123.08170	2.3
137.09715	0.4
153.09276	0.8
165.09216	0.3
191.14395	0.3
197.50365	0.3
205.16051	0.5
221.15538	0.9
221.71259	0.3
235.17030	0.8
250.99242	0.3
285.22467	0.3
308.52087	0.2
315.23322	1.0
317.24643	0.3
383.29715	0.4
385.27527	2.6
393.28177	0.5
405.28168	0.4
407.29684	0.9
421.31128	0.8
423.29047	1.0
425.30664	2.1
439.32315	5.6
440.32404	0.5
441.27646	0.7
441.33795	9.3
442.34033	0.8
485.32779	100.0
486.33060	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
61.98816	0.7
70.95784	0.8
72.41274	0.7
72.81346	0.6
86.75748	0.7
91.09045	0.7
141.31516	0.6
185.14632	0.6
197.66153	0.7
359.48056	0.6
441.46158	0.9
455.31720	2.2
485.32773	100.0
486.33139	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	485.3277
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
61.55777	0.2
73.04135	0.2
85.95229	0.2
132.22458	0.3
138.98380	0.2
185.19257	0.2
201.61954	0.2
310.59653	0.2
379.30615	0.2
485.32755	100.0
486.33102	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00156	0.2
70.66935	0.4
71.05047	1.4
88.48585	0.2
100.02668	0.2
111.00896	0.3
127.28329	0.2
162.97948	0.2
174.41974	0.2
279.51575	0.2
373.28879	0.2
375.26474	0.3
391.30063	2.0
439.31952	0.4
455.31598	0.4
485.32770	100.0
486.33105	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	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16900	1.3
55.73616	1.2
57.73484	1.1
70.36194	3.0
98.21957	1.8
153.62595	1.2
160.84215	2.0
234.63857	1.4
419.44150	1.5
439.32333	4.2
441.33780	1.5
485.32800	100.0
486.33258	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	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48238	0.5
52.49620	0.5
55.49287	0.5
56.61045	0.6
61.26468	0.5
70.48367	1.2
75.23801	0.5
78.41146	0.6
79.01798	0.5
123.52909	0.5
153.63266	0.5
173.83344	0.5
181.39177	0.5
186.80327	0.7
211.90512	0.5
242.19533	0.6
287.49017	0.6
347.70654	0.5
391.10065	0.6
439.32327	0.8
475.70850	0.5
485.32751	100.0
486.33258	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	485.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36766	2.7
71.41982	3.1
99.31162	3.0
131.71182	2.9
148.08850	3.2
166.90846	2.8
215.57854	3.3
441.33691	13.4
485.25897	5.1
485.32809	100.0
486.33295	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	485.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
71.01352	0.4
73.02949	2.0
83.05024	0.6
87.74989	0.4
110.95854	0.3
142.20190	0.3
142.40504	0.4
159.15906	0.3
254.34509	0.4
389.28610	0.6
392.27084	0.6
407.29474	2.5
409.31152	1.4
439.32190	0.7
485.32773	100.0
486.33105	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3641
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
50.48180	1.0
51.35139	1.1
61.53719	1.2
70.94896	1.6
71.05029	1.7
97.06583	7.3
124.17667	1.5
194.31030	1.2
213.16031	1.4
389.28491	1.9
391.30057	3.9
405.31812	9.2
407.33392	9.9
441.33731	8.6
451.32172	35.7
452.32370	5.2
453.33771	100.0
454.34015	7.5
471.34988	4.6
485.31033	1.7
485.36230	11.5
497.32654	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	486.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52794	5.7
59.01383	100.0
60.01722	10.3
71.01388	20.9
87.00891	26.8
89.02472	17.7
95.01393	8.4
99.00907	16.2
101.02464	9.0
119.03527	8.9
119.05052	10.4
123.00909	16.3
123.04536	40.9
125.02462	23.9
135.04561	19.3
145.01472	28.1
149.06107	15.8
163.02518	34.4
163.03772	7.5
165.05522	9.5
168.15053	5.6
169.01442	29.2
175.82863	6.1
179.03529	21.1
179.05734	6.8
195.02930	6.9
229.01576	7.7
233.31296	5.9
245.01074	7.3
245.11809	20.3
246.12141	20.2
255.05130	85.8
257.00970	9.6
275.01974	25.2
299.99078	15.2
300.99905	48.0
302.00189	7.3
322.98126	10.9
341.08847	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	486.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97779	9.2
59.01381	73.8
61.98833	43.5
65.27732	9.5
71.01382	24.9
77.62657	8.9
85.02946	14.2
89.02439	26.2
93.03433	9.2
101.02438	18.8
107.01440	12.8
113.02449	15.4
119.03502	11.0
123.00908	30.3
125.02464	43.8
126.02840	9.9
139.04082	12.8
149.06111	11.1
151.00380	17.6
151.71910	11.4
169.01471	58.0
183.10306	24.6
197.11810	19.7
211.02539	26.8
225.11333	24.7
231.47705	11.8
271.04550	39.8
335.17166	16.0
343.95438	10.8
450.99530	13.8
485.20883	11.6
486.20059	53.0
487.18088	100.0
487.29971	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	486.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05817	0.3
53.66928	0.3
59.01383	0.7
61.98838	100.0
71.01440	0.6
71.41547	0.4
83.01415	0.3
96.49554	0.3
103.88627	0.3
107.01472	0.4
113.02518	0.3
123.00925	0.5
124.01733	0.5
125.02502	1.2
145.01476	0.9
158.03796	0.4
168.00690	0.5
169.01480	1.4
237.97791	0.3
487.12363	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	486.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60519	0.8
64.08026	0.7
70.66241	1.3
88.04043	58.2
100.78480	0.9
117.49172	0.9
122.86887	0.7
147.08165	1.4
149.09723	1.8
160.44888	0.8
163.11320	3.0
178.77213	1.0
182.69722	1.0
187.11240	2.5
274.92999	0.8
280.14594	1.7
307.16992	1.3
309.22195	1.3
321.18469	0.8
337.21741	100.0
338.22055	9.8
389.50745	0.9
486.26904	10.5
487.27155	1.3
487.34399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97276	1.5
56.24636	1.4
59.01391	9.9
64.26013	1.7
65.03961	1.6
67.01862	2.6
69.03455	2.4
71.01392	11.8
73.02941	6.7
81.03459	2.8
83.01376	6.6
83.05029	5.9
85.02944	5.6
87.00893	1.7
89.02455	4.6
93.03475	23.4
95.01373	4.4
97.02946	2.9
99.00860	3.2
101.02439	4.0
103.14411	1.6
107.01395	13.2
107.05026	2.8
109.02959	6.2
111.00884	6.4
111.04525	33.0
113.02469	5.0
119.03552	2.4
119.05077	1.7
123.00896	38.1
124.01649	9.8
125.02464	51.0
125.06075	1.7
135.04535	3.4
137.02440	5.8
139.00427	4.1
140.01173	3.0
141.01945	6.0
145.01492	1.9
151.00395	21.1
151.03979	1.8
153.01967	2.2
153.05591	3.3
155.03529	16.3
163.02467	1.7
163.03914	1.8
167.03545	1.6
168.00670	7.6
169.01442	100.0
170.01831	2.9
173.04579	8.7
173.72716	1.4
179.03534	3.7
180.04324	2.5
180.50116	1.4
183.02980	1.7
197.04655	3.2
211.02495	19.9
253.03537	1.9
257.85367	1.6
271.04642	11.2
275.02173	2.0
300.99884	5.7
313.05746	9.0
325.05829	7.4
331.03006	3.0
331.06760	49.6
331.10709	2.4
367.06549	2.5
403.16455	1.6
409.07202	2.2
427.08798	3.9
449.12842	5.9
451.08780	7.7
469.09918	43.2
470.10260	3.2
487.10980	52.7
488.11075	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	487.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.3
63.06749	1.0
67.01898	2.1
69.03471	3.0
71.01393	9.9
71.14610	1.3
73.02954	5.4
79.01910	2.6
80.50612	1.0
81.03467	2.1
83.01394	6.4
83.05047	6.5
85.02949	4.3
89.02454	4.2
93.03467	23.7
95.01398	3.6
95.05041	1.9
97.02952	3.4
99.00874	2.0
101.02460	4.1
107.01399	14.5
107.05054	2.3
109.02972	6.8
111.00875	5.2
111.04530	29.1
112.76318	1.0
113.02464	4.5
123.00900	35.8
123.04504	1.4
124.01689	8.7
125.02456	58.6
125.06069	2.1
135.04546	2.9
137.02441	5.8
138.24130	1.2
138.55266	1.1
139.00389	2.8
140.01106	1.3
141.01976	6.6
143.03555	1.7
151.00389	18.7
151.04034	2.2
153.01936	4.1
153.05634	2.0
155.03522	17.0
165.01982	1.6
167.03566	2.4
168.00655	6.2
169.01437	100.0
170.01765	3.0
173.04555	9.1
179.03497	3.3
183.03000	3.3
193.01437	2.3
197.04552	3.1
211.02516	17.4
213.01401	1.0
253.03653	1.9
271.04611	3.2
272.32944	1.1
279.86615	1.1
297.20670	1.2
313.05627	7.5
314.06189	1.1
325.05621	3.7
331.06720	50.3
332.07144	1.6
367.07141	1.3
451.08884	6.5
469.09891	51.3
470.10239	4.4
487.10938	47.5
488.11414	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	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91965	0.5
51.34732	0.5
58.22850	0.5
59.01392	5.6
69.35250	0.6
71.01389	3.6
73.02966	0.9
74.00713	0.5
76.24020	0.5
79.90475	0.5
83.01368	1.2
85.02945	1.2
89.02454	1.4
93.03481	0.9
95.01371	0.7
98.21839	1.4
99.00866	0.6
101.02447	1.9
112.58758	0.5
113.02464	0.7
117.03539	0.7
119.05038	100.0
120.01263	1.6
120.05360	3.7
123.00912	1.0
125.02461	1.2
125.13181	0.5
134.03746	0.8
135.04604	0.9
145.01486	1.3
145.02968	1.6
161.06137	0.9
163.04022	51.3
164.04355	1.3
169.01430	1.8
179.03447	0.7
193.05051	0.7
205.05116	1.1
229.01366	0.5
275.02148	0.6
300.99823	1.6
325.09381	1.1
341.06625	0.8
487.14606	60.5
488.14871	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	487.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
59.01383	100.0
60.65274	1.0
64.20557	1.3
71.01379	9.3
73.02969	1.5
73.98227	1.1
76.45345	1.3
84.89182	1.2
85.02946	1.4
87.00883	3.6
89.02445	4.7
89.21706	1.2
95.01383	1.5
98.21732	1.0
101.02449	3.5
111.08344	1.2
113.02455	2.6
115.00365	2.4
117.91597	1.1
119.03452	2.4
125.09773	1.5
130.56288	1.1
139.11307	16.8
172.05333	1.5
173.06062	1.6
181.12347	7.1
183.10275	22.3
187.07678	2.0
200.04781	3.4
214.06375	1.6
220.61685	1.4
221.10118	1.3
225.11244	9.1
229.08691	9.7
230.09415	2.1
230.75534	1.2
243.12315	3.9
310.89429	1.5
334.08340	1.3
371.15106	1.5
393.31427	3.8
425.34229	2.4
469.24356	9.1
487.25461	88.6
487.33896	19.5
488.25732	8.6
488.34927	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2702
Annotation	Daturolactone 5
Peak:m/z	Relative Intensity
57.03455	9.0
58.25301	0.9
59.01393	12.6
59.89148	0.8
69.03432	1.0
71.01377	2.4
71.05026	6.2
73.02925	1.1
83.05029	11.7
85.02953	1.1
87.00908	1.8
90.27658	0.7
97.06606	2.0
113.02489	0.8
125.09763	1.1
161.23984	0.9
200.04692	0.9
209.11841	1.3
229.08751	3.1
229.15962	2.4
295.20895	1.3
301.21698	5.4
306.57928	1.3
313.21744	14.4
315.23291	2.4
341.24762	2.1
381.27835	4.5
383.21906	0.8
383.26074	6.2
399.29062	18.8
400.29297	1.6
407.02780	1.1
409.31003	1.1
425.26730	5.5
443.28052	19.1
444.28329	2.2
457.25958	1.7
469.25974	1.3
487.27048	56.5
487.34302	100.0
488.27295	5.6
488.34644	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	487.3072
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
57.03445	1.5
59.01388	13.7
61.98844	1.9
69.38133	3.9
70.89564	0.6
71.01397	9.1
71.05020	1.4
73.02958	11.5
80.96526	1.1
83.01399	2.0
83.05012	1.4
85.02963	2.6
87.00895	1.2
89.02457	1.9
97.06609	1.8
99.00919	1.1
101.02474	4.3
106.51930	0.7
111.08195	1.0
113.02483	3.4
115.00368	1.3
116.92866	0.8
123.08169	1.8
125.02474	0.8
127.18036	0.8
130.08748	8.7
131.09106	2.3
133.01436	3.1
161.04576	2.4
165.12860	5.8
183.13914	22.9
184.14354	1.1
189.12973	0.9
209.11816	1.5
227.12936	1.3
275.01926	0.9
277.09317	1.1
319.22537	1.4
327.16202	1.7
371.15036	1.2
376.34421	0.9
379.26648	0.9
387.25415	1.7
391.26691	1.2
395.29532	0.9
407.29459	1.2
409.27451	0.8
413.27094	0.8
425.30905	1.9
427.28693	2.5
441.30179	4.3
443.31747	9.9
457.29382	1.2
472.36108	0.9
487.22165	11.4
487.30786	100.0
488.23755	1.1
488.31058	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98352	0.1
54.15433	0.2
54.50558	0.1
57.03408	0.1
59.01367	0.3
71.01366	0.2
71.41530	0.1
72.83424	0.1
73.02948	0.1
85.02953	0.1
89.02455	0.1
101.02408	0.1
113.02454	0.1
165.12782	0.1
169.01306	0.1
183.13893	0.2
227.12865	0.4
229.08894	0.1
273.24338	0.1
329.16080	0.2
363.27246	0.1
379.30197	0.3
391.30109	0.2
393.31857	0.1
407.29758	0.1
409.31155	0.7
421.31274	0.3
487.34320	100.0
488.34668	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	487.3434
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.00592	0.6
59.01383	0.3
71.05022	3.5
75.59769	0.2
109.51762	0.3
110.26759	0.2
115.06071	0.2
126.97198	0.3
145.30206	0.3
178.23886	0.2
229.08749	0.5
248.22839	0.3
367.26428	0.4
369.28329	1.3
385.27908	0.3
393.28281	0.3
397.33240	0.2
401.56473	0.3
409.31082	0.8
414.31577	0.3
439.32224	1.4
441.33817	1.5
443.35416	0.4
455.31348	0.3
467.31763	0.5
469.33112	0.3
485.32700	0.7
487.34341	100.0
488.34726	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	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46486	0.3
69.83764	1.1
98.22633	0.3
112.09151	0.3
146.38391	0.4
157.56216	0.3
174.76459	0.4
270.18436	0.4
487.34341	100.0
488.34634	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
70.96009	0.5
487.34348	100.0
488.34732	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
66.55043	0.3
69.16424	0.3
70.50316	0.4
70.50647	0.4
78.62137	0.3
86.45975	0.3
91.91711	0.3
110.51289	0.3
129.88480	0.2
148.33667	0.3
183.80376	0.3
184.22983	0.3
224.33746	0.3
321.70563	0.4
330.29022	0.3
389.57455	0.3
409.31238	0.6
470.94476	0.3
487.34320	100.0
488.34647	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	487.3434
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.27522	1.4
52.93762	1.3
59.01382	1.9
61.98820	1.7
67.55510	1.4
71.44306	1.4
139.17790	1.2
206.98647	1.3
235.12198	1.9
279.87021	1.4
393.31375	2.5
423.32642	3.2
487.34357	100.0
488.34686	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	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.0
69.69010	1.0
69.69395	1.3
71.05027	1.7
98.21950	0.9
98.58047	0.6
120.14145	0.5
122.96271	0.6
147.47501	0.6
224.81198	0.6
299.54776	0.6
393.31567	0.7
421.31476	0.8
423.32806	0.8
427.32007	1.5
443.35522	0.6
467.31708	2.3
469.33298	10.8
470.33554	1.8
487.34357	100.0
488.34644	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	487.3435
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
61.98827	8.8
69.27089	38.4
100.12280	6.6
441.33694	22.8
445.72012	7.0
451.32297	21.0
453.33755	100.0
454.34076	18.7
459.35376	8.8
487.34274	44.1
488.35327	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	487.3434
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
62.65701	1.3
64.55171	1.2
71.40952	1.3
87.96090	1.1
93.48606	1.1
97.06597	3.7
162.60133	1.1
231.66267	1.2
262.16321	1.0
377.29187	1.2
381.33203	1.3
389.28668	1.6
391.30075	3.7
405.31598	5.5
407.33530	10.3
423.32547	2.6
425.34576	1.5
441.33777	17.2
442.34045	1.7
449.30469	3.4
451.32245	16.2
452.32626	2.6
453.33780	100.0
454.34036	10.5
467.31509	4.3
469.33432	2.8
471.34747	1.4
487.27426	1.3
487.34482	24.3
488.34415	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	487.3432
Annotation	Arjunic acid
Peak:m/z	Relative Intensity
55.76968	3.3
57.03446	5.2
60.99311	25.2
63.63369	3.4
69.16498	19.7
97.06605	9.7
97.32467	3.4
98.21893	8.9
111.08178	6.6
120.00163	3.7
146.75578	4.0
194.98491	3.6
200.24924	4.0
207.12096	4.0
266.28952	3.7
282.50482	4.1
373.25464	6.1
389.28500	11.9
391.30322	20.8
393.28098	8.4
405.31805	26.6
407.33331	67.5
408.33542	9.2
409.31000	14.5
421.31177	4.1
423.32785	100.0
424.33099	9.7
425.34268	80.9
426.34344	9.3
439.32156	5.9
441.33673	14.3
442.34338	4.7
443.35355	14.3
469.33295	16.5
487.34412	95.4
488.34448	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	487.3437
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
61.89249	0.2
97.18727	0.3
120.52415	0.2
133.83159	0.2
133.89328	0.2
141.89095	0.3
162.56541	0.2
197.78780	0.2
217.79271	0.2
286.67065	0.2
338.15012	0.2
348.13693	0.2
409.31061	0.4
421.31076	1.3
423.32745	0.3
439.32028	0.3
469.33331	1.1
487.34308	100.0
488.34653	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	488.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98029	2.3
59.01384	13.5
61.98832	1.0
71.01387	7.5
72.99331	0.7
79.96017	0.6
83.01393	0.9
85.02962	1.6
89.02457	4.9
95.01426	0.9
99.00885	1.8
101.02441	2.6
107.01412	0.9
109.02978	0.7
111.00887	1.0
111.55483	0.6
113.02480	2.1
119.03520	1.7
119.05029	1.1
120.01265	100.0
121.01657	0.6
121.52531	0.5
123.00895	2.0
124.01658	1.3
125.02460	4.7
126.02816	0.5
133.02931	0.7
135.04533	3.1
137.02429	0.9
145.01450	2.1
145.02995	0.8
151.00407	0.5
161.02438	1.0
161.04591	0.7
161.06050	0.6
161.09727	10.2
163.02446	0.6
163.03972	1.1
169.01480	6.3
173.02417	0.7
179.03506	2.2
179.05682	0.7
187.04073	0.6
187.11333	1.8
201.02046	0.8
203.03429	0.7
211.02554	1.1
221.10063	14.2
221.12112	1.0
222.10385	1.0
249.04128	1.7
255.10280	2.9
257.01047	0.6
271.04745	1.3
274.01053	0.8
275.02045	2.9
300.99878	3.2
302.00385	1.0
343.08224	1.0
357.57645	0.5
488.19775	4.7
489.16461	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	489.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	1.1
57.03492	0.9
58.20239	0.7
59.01425	3.3
68.99867	2.3
69.26052	3.5
71.01380	3.8
73.02997	1.3
75.00938	2.3
83.01436	1.6
85.02956	6.1
87.00935	3.1
89.02499	1.0
93.03513	0.9
95.01431	1.8
95.10630	0.8
97.02975	1.0
99.00895	6.6
101.02511	2.8
105.22162	0.7
107.01454	2.6
111.00954	2.4
113.02461	8.0
113.99598	16.9
115.00407	7.8
115.71410	0.8
123.00940	1.4
125.02444	5.5
127.00417	4.6
129.02039	2.4
135.04623	1.2
139.00450	1.1
141.01974	1.5
153.01930	0.7
156.00781	2.6
157.01440	6.4
160.14032	0.7
169.01457	7.4
170.01888	1.1
171.01909	0.9
174.01704	16.6
174.03093	1.1
175.02551	2.8
211.02524	1.6
222.44310	0.8
271.04739	1.7
277.05664	31.9
278.06140	1.4
300.99875	2.4
317.95969	0.8
319.06717	3.3
333.07388	1.2
337.07779	100.0
338.08124	4.7
338.25598	0.8
347.94965	1.0
429.06769	1.8
471.08136	1.5
489.08832	57.3
490.09122	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	489.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15278	3.5
59.01376	3.4
61.06781	4.0
61.98825	3.5
66.62820	3.6
68.67793	3.3
69.29051	23.1
97.79898	4.0
97.91848	3.6
98.22672	5.4
107.01409	15.8
122.32314	4.6
123.00908	11.1
124.01673	27.2
125.02454	49.3
125.52157	3.5
151.00423	4.3
168.00671	6.0
169.01448	100.0
169.21156	3.7
179.63283	3.8
191.59311	3.9
199.95834	3.7
215.83414	3.8
246.70938	3.9
300.99988	8.2
313.05685	5.3
426.10382	38.6
453.10385	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98847	0.8
69.45214	1.3
69.45616	2.3
76.78339	0.7
78.95909	59.3
83.32849	0.6
96.96969	7.3
128.99973	0.6
136.91786	4.3
150.98027	1.5
152.99599	100.0
153.99976	1.1
171.00658	4.0
210.95448	3.0
210.97331	0.7
253.21777	1.9
255.80106	0.7
277.21643	0.8
391.67957	0.7
395.52209	0.6
431.22025	19.0
431.27560	1.4
432.22409	1.5
465.97098	0.7
489.17847	10.9
490.18686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01723	1.1
61.98864	0.5
71.01383	2.4
73.02966	1.0
83.14349	0.4
85.02973	0.6
101.02477	1.7
121.02955	0.6
125.02493	1.5
135.04576	1.2
144.13516	0.5
151.04015	0.5
153.05568	0.6
161.04613	0.9
163.04054	4.7
169.01555	1.3
181.05090	13.7
182.05472	0.6
196.07436	11.0
196.09146	0.7
197.07878	0.6
203.03644	0.4
211.09770	15.3
214.67195	0.5
223.06129	8.7
224.06439	0.5
238.08478	8.3
239.09129	0.5
253.10829	13.8
256.72168	0.5
275.02130	0.8
301.00031	0.7
376.56302	0.5
489.20264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01383	100.0
60.01709	0.7
69.03463	0.8
69.37193	2.1
71.01387	9.9
73.02951	15.0
81.03473	0.5
83.01395	0.9
85.02953	4.7
86.00093	0.9
87.00883	4.0
87.04514	3.0
89.02448	12.2
95.01435	0.6
97.02948	0.7
99.00883	0.6
99.04556	0.5
101.02449	25.0
103.04019	10.9
103.04651	0.9
113.02497	2.0
115.04025	5.4
119.03514	6.4
125.02461	1.9
127.04037	0.8
131.03506	3.4
143.03511	4.9
145.05083	3.2
153.09290	1.4
163.06136	40.4
164.06580	0.7
179.05800	0.9
205.07185	11.5
205.09003	0.9
206.44688	0.5
225.14980	2.9
235.08456	0.6
250.04526	0.5
265.09314	3.6
349.78494	0.5
369.18988	2.6
387.20367	1.2
429.17621	2.4
429.21771	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	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05927	0.5
56.09611	0.5
59.01384	100.0
60.01707	0.9
71.01390	4.2
73.02951	4.8
85.02982	1.8
87.00877	0.9
89.02458	3.8
90.79202	0.5
101.02452	5.2
103.04025	2.3
103.57533	0.6
109.05574	0.5
113.02460	1.5
115.04055	1.4
119.03556	1.2
124.11001	0.7
131.03545	0.9
138.06917	0.9
143.03563	1.5
145.05031	0.7
153.09230	3.2
161.04668	0.8
163.06146	7.6
205.07297	2.2
225.15012	6.9
265.09351	0.7
344.71301	0.6
369.19061	4.9
387.20468	1.3
411.15631	0.6
412.95694	0.7
429.21667	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	489.3224
Annotation	Homaline
Peak:m/z	Relative Intensity
51.39386	0.5
58.87247	0.4
59.01112	0.3
59.01376	2.3
69.58834	1.6
71.01389	0.4
71.04982	1.0
73.02942	0.7
87.00865	0.4
116.92858	1.8
119.67811	0.4
125.02467	0.5
137.13454	0.4
145.01462	0.6
209.11897	0.7
210.12132	0.5
227.12936	0.6
377.28293	0.5
379.30154	0.5
391.30133	1.5
407.29428	0.6
409.31085	1.3
413.76440	0.5
425.30350	0.6
427.32089	1.2
429.29834	1.6
445.33310	1.3
457.33389	0.6
471.31189	15.2
472.31601	1.6
477.04932	0.5
489.32242	100.0
490.32642	11.2
514.12689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44421	0.6
59.01383	2.6
71.05025	3.2
73.02943	0.7
100.97094	0.6
229.08699	1.1
325.25137	0.6
336.45261	0.6
397.31116	1.0
409.31009	1.0
411.25552	1.1
427.32123	0.7
429.33963	5.8
471.31171	6.7
472.31500	1.3
489.35696	100.0
490.37244	9.6
509.57950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98835	0.8
69.83015	1.2
71.01374	0.5
71.05029	1.3
73.02962	2.6
101.02439	0.5
125.06135	0.7
139.11237	0.5
153.69189	0.6
155.10814	0.9
229.08641	0.9
293.21198	1.8
299.58237	0.5
409.31177	0.9
429.33716	5.9
430.34253	0.6
440.37903	0.5
489.35904	100.0
490.36252	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	489.3589
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
59.01371	0.4
65.29250	0.3
71.05019	1.6
98.21806	0.5
104.13653	0.3
109.06553	0.5
135.97093	0.3
142.49103	0.3
149.67033	0.3
166.83220	0.4
342.83694	0.3
381.19693	0.3
397.31168	0.4
425.33652	0.4
427.32495	0.4
429.33798	6.3
430.34128	0.6
489.35938	100.0
490.36292	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	489.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.0
67.45161	0.4
71.05025	2.0
73.02925	0.4
80.88784	0.5
99.11349	0.4
101.78461	0.4
131.06041	0.4
140.16432	0.4
157.08766	0.5
229.08707	1.0
232.94905	0.4
320.30212	0.4
397.30991	0.7
407.29700	0.5
409.31070	0.8
429.33914	5.7
471.31165	3.4
489.36420	100.0
490.36807	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	490.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38998	4.9
57.03437	5.2
59.01391	44.1
69.03464	35.2
71.01395	25.2
79.01892	17.5
80.36524	4.5
83.01365	7.0
85.02962	6.7
88.98791	15.3
89.02431	5.4
95.01339	6.0
97.02985	24.1
97.07171	5.7
99.00880	34.1
101.02438	11.1
107.01391	35.0
113.02479	11.4
116.13681	5.0
117.01930	11.4
121.02893	5.5
125.02457	50.6
133.01447	5.3
135.00891	20.4
143.47089	5.0
145.01436	57.4
151.00409	43.5
152.01181	10.4
163.02539	31.8
165.95088	5.3
169.01419	5.8
172.05261	5.6
177.01849	10.5
179.79509	5.0
183.13957	6.5
201.27809	4.7
209.11801	22.7
227.12943	7.2
242.05894	48.4
243.06630	37.9
283.13428	14.2
309.15149	9.0
327.16122	10.8
339.07132	6.8
447.12982	100.0
489.34576	21.7
490.27734	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	490.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49084	4.1
54.79678	4.4
55.64909	4.5
59.01387	100.0
63.23553	3.7
67.18192	4.2
71.01386	52.5
73.02951	24.0
85.02971	9.5
85.35775	4.2
87.00877	4.4
89.02454	93.5
99.00879	19.4
101.02470	41.7
103.55492	4.6
113.02448	16.6
119.03515	19.9
125.02434	12.1
125.47888	4.4
131.03513	15.7
149.04570	51.0
161.04552	4.2
172.72351	5.2
179.05690	6.1
191.05632	13.5
221.06543	4.4
221.87624	5.0
230.89180	3.8
239.06935	4.9
264.83673	4.3
447.22382	68.0
448.22650	8.6
490.19489	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	490.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.6
57.89116	3.1
59.01382	38.2
69.42908	13.1
71.01390	40.7
71.25595	3.3
73.02952	19.1
75.00900	4.8
83.01384	6.1
85.02951	16.8
89.02449	12.0
95.01401	4.7
96.96021	6.4
97.02987	3.3
99.00904	8.3
99.40257	3.2
101.02454	35.6
113.02464	16.5
119.03508	3.4
125.02432	7.1
131.18231	3.5
143.03513	3.1
146.98314	3.4
159.02953	3.6
161.04565	17.3
165.12769	4.5
169.01450	4.1
183.13986	8.7
315.18127	13.4
362.18613	3.1
381.05106	3.3
397.94052	3.4
427.32147	3.2
447.22305	100.0
448.22620	6.0
490.27057	5.0
491.24280	6.9
491.30252	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	490.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.6
57.03433	4.3
59.01387	85.1
61.98842	18.2
63.90985	3.4
71.01388	30.8
73.02946	10.7
83.01393	4.0
85.02946	9.0
89.02467	28.4
96.96026	9.3
98.21889	7.5
99.00864	4.3
101.02461	12.5
109.02961	11.4
113.02459	8.7
116.92870	4.1
119.03521	5.7
125.02491	8.0
138.17119	4.0
159.04486	6.1
161.04549	7.3
168.00700	3.7
169.01456	5.2
172.05214	3.5
183.10275	37.3
187.07629	6.4
189.05539	4.0
191.69986	3.5
201.46034	3.2
211.02608	3.3
239.49858	3.1
241.05013	9.6
255.06696	5.2
281.12399	12.7
283.09808	4.3
295.09793	6.7
297.97574	3.2
301.00024	5.4
311.09189	9.0
313.10754	6.7
326.11646	7.3
341.13809	12.1
344.12613	29.3
359.15012	100.0
490.30145	5.1
491.12762	3.3
491.19220	74.7
493.76807	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	490.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	5.3
59.01385	11.9
61.98834	10.9
68.02431	4.8
69.09891	18.7
69.10307	21.0
71.01411	7.1
72.92579	5.0
78.11798	6.5
92.51514	5.1
94.68987	5.4
101.02484	8.7
119.05035	100.0
127.03922	5.2
143.36061	6.2
162.84048	6.4
163.04041	92.1
185.74286	7.1
247.59276	5.3
285.18576	9.3
286.94724	6.3
370.87650	7.6
383.39441	6.1
414.14490	7.5
447.31128	22.6
491.28159	8.0
491.34540	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	490.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	44.3
69.09399	100.0
71.01399	25.8
76.90742	13.6
89.02457	34.8
97.99401	14.4
98.21899	31.5
101.02438	15.3
149.04585	17.3
211.13354	64.0
225.50211	13.4
425.21451	15.4
447.22095	28.8
491.28006	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	491.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36679	1.1
59.01387	3.3
61.98846	1.5
171.10243	1.9
199.57799	1.2
200.01003	1.5
209.11867	1.8
214.99713	1.8
216.00720	1.6
228.00555	2.0
242.99330	5.3
245.12106	1.3
255.99962	1.4
258.94901	1.4
261.04099	1.5
263.12958	1.7
269.00830	1.7
270.98877	32.0
282.01620	1.7
283.99475	3.7
297.00412	21.2
298.00705	1.4
298.98383	23.6
299.99118	13.9
300.99701	3.0
309.00388	2.6
323.99246	6.8
324.99936	4.9
336.99808	12.3
338.00751	1.7
373.23849	1.9
375.01547	4.3
413.03006	4.9
429.06027	1.9
473.04993	3.5
473.25296	3.2
482.75156	1.4
490.24896	1.9
490.35074	3.0
491.06180	100.0
491.12042	9.4
491.26367	6.9
492.06412	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	491.0836
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
52.86672	0.2
59.01378	1.1
66.16471	0.2
69.11228	1.1
71.01385	0.8
72.27685	0.2
73.02956	0.2
73.26841	0.2
81.03458	0.6
89.03979	1.9
95.05026	0.2
99.00827	0.2
101.02450	0.4
104.02689	0.3
105.03463	3.1
105.04121	0.3
107.01401	1.5
109.02972	0.2
121.02961	0.2
123.00899	1.1
124.01695	0.7
125.02459	5.9
133.02972	8.7
135.04474	0.2
136.23283	0.2
137.75935	0.2
145.03021	0.3
148.01668	0.6
149.02458	1.7
151.00334	0.3
166.99899	0.2
169.01437	7.2
176.01160	1.6
177.01944	100.0
178.02284	3.0
191.03423	0.3
219.03061	0.2
241.03476	0.3
255.84657	0.2
275.02008	0.6
276.95163	0.2
293.27164	0.2
300.99838	0.6
313.05692	8.2
314.05872	0.3
329.13571	0.2
339.07239	22.5
340.07645	1.2
368.21317	0.2
491.08328	18.7
491.19739	0.7
492.08420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0836
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
59.01385	27.8
62.16010	0.7
71.01389	10.5
73.02964	2.9
85.02975	3.1
89.02458	6.1
101.02469	3.4
107.84551	0.7
109.02997	3.0
113.02489	2.6
119.03507	1.6
123.00900	1.2
123.04538	0.8
125.02429	1.6
129.01988	1.0
141.40773	0.7
142.14743	0.7
159.04596	1.3
161.04611	2.0
169.01427	1.1
179.05629	0.9
187.07741	0.7
189.05556	1.3
190.74846	0.7
197.99706	1.3
229.55641	0.7
240.04440	0.8
241.05156	1.9
241.98563	1.9
254.99402	2.2
255.06622	0.8
257.01025	1.4
269.98071	26.3
271.04712	1.2
281.08258	0.7
283.09915	0.8
285.00452	13.5
295.09866	1.3
297.97571	52.3
298.98013	2.6
311.09183	0.8
312.99930	100.0
313.10760	2.1
314.00302	4.2
325.11084	0.9
326.11618	1.5
328.02261	66.0
329.02698	3.6
329.16068	1.0
341.13986	1.8
344.12589	3.9
359.15024	18.6
431.22562	2.5
476.06107	8.0
487.30997	0.8
490.31201	0.9
491.08325	73.5
491.18787	10.1
492.08771	5.3
492.19522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1215
Annotation	Isopyrenin
Peak:m/z	Relative Intensity
55.25476	0.5
59.01378	2.2
59.37554	0.5
70.38087	0.5
73.02975	0.5
80.75397	0.5
91.01881	1.3
93.03444	0.5
95.05047	1.4
98.21858	1.6
98.55762	0.5
101.02490	0.6
119.01402	1.1
120.05860	0.5
123.04585	0.6
125.02481	0.8
131.01399	0.7
134.54732	0.5
137.02402	0.8
144.02190	0.6
147.00859	4.6
161.02466	1.2
161.47044	0.5
163.00377	2.2
164.01146	3.5
171.10333	1.0
172.01700	0.7
175.00395	6.4
176.01125	2.6
177.01915	1.4
179.03514	1.4
187.00340	1.3
188.01180	1.5
189.01955	1.3
190.99976	0.6
192.00696	1.1
193.01398	0.7
200.01157	3.1
201.01901	2.7
201.99062	1.0
202.02747	2.0
202.99861	5.6
203.03410	0.7
204.00616	1.6
207.10303	0.7
209.11801	1.3
214.99863	1.9
216.00668	1.6
217.01390	3.0
219.06657	0.7
221.00706	0.5
228.00729	3.8
229.01355	2.6
229.98531	2.0
230.99434	1.3
234.01704	2.5
235.02396	3.3
240.04521	0.7
242.99333	2.0
244.00125	1.9
245.00903	10.3
246.98755	1.7
256.00128	3.2
259.02536	0.8
259.99652	1.0
260.03287	1.0
261.04047	12.1
262.01172	1.9
263.02014	0.9
267.06677	0.6
269.08182	0.7
270.98883	4.7
271.99585	2.7
273.00400	1.8
275.02100	1.0
279.06592	0.9
285.04044	0.8
288.02652	1.3
295.02591	1.0
295.06137	1.0
296.06998	1.2
298.98444	1.0
299.01651	0.6
299.99118	1.8
303.01602	3.5
305.02939	0.8
318.10583	0.6
323.05731	1.0
324.06433	1.0
325.03687	0.7
327.05008	0.8
327.09021	0.6
331.00839	1.1
339.08713	0.9
351.05115	0.8
355.08322	2.4
373.24136	0.7
375.01251	1.5
430.34225	1.4
459.09396	4.3
490.36581	24.9
491.12018	100.0
491.36932	8.4
492.12308	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	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13210	1.1
59.01381	3.2
61.98840	2.4
71.01390	2.1
75.02415	1.5
84.31300	1.2
88.32570	1.1
91.01914	3.8
93.03467	1.6
95.05024	1.1
108.02184	3.1
109.02990	2.1
119.01367	3.0
121.02959	1.9
131.01411	4.7
132.02158	1.4
135.04478	2.2
137.02480	2.7
147.00887	23.1
148.01671	6.0
148.71812	1.3
150.09291	1.2
151.04065	2.4
153.10194	1.2
159.00894	4.9
159.31407	1.2
163.03978	1.3
165.01950	1.8
171.10216	1.8
172.01724	1.4
174.98975	1.9
175.00377	22.9
176.01155	31.7
177.01897	2.4
179.03532	3.9
182.27290	1.2
184.18518	1.1
190.02696	3.5
190.99960	1.7
191.03503	7.1
192.00641	1.7
195.63438	1.1
202.99887	33.3
207.03020	4.1
207.10365	1.4
209.11859	4.1
215.03625	1.5
218.99380	1.6
220.00240	2.0
221.00899	5.1
222.10033	1.2
227.12987	2.1
235.02466	23.3
242.99487	1.5
246.98872	32.1
247.99263	2.3
256.00244	1.3
263.12793	1.5
266.66913	1.2
270.98889	5.8
271.06094	2.1
279.01471	100.0
280.01810	5.1
283.99710	1.5
297.00531	4.5
298.98502	3.0
299.99078	3.7
315.05072	3.1
323.98657	1.1
336.99832	2.9
347.07666	2.2
375.01263	5.4
386.85281	1.3
473.25577	1.6
491.06143	21.0
491.12183	6.8
491.26047	6.2
492.06403	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89331	0.8
56.87298	0.7
57.03449	1.0
59.01381	6.8
61.98817	0.9
69.03441	1.4
71.01388	3.1
71.88482	0.7
73.02972	1.1
81.03467	6.2
83.01393	8.3
85.02954	2.3
87.00874	0.8
89.02436	1.5
93.03462	1.2
95.01378	2.2
95.05034	4.8
97.02956	2.9
98.22692	1.6
99.00861	0.9
99.04523	2.0
101.02453	1.0
107.01407	1.2
107.05032	1.7
109.02950	3.1
109.06583	1.2
111.04495	1.6
113.02458	2.0
119.05053	1.3
120.01250	1.9
121.02969	2.3
121.06605	1.8
122.03761	1.2
123.00885	2.9
123.04539	13.1
124.01654	1.9
124.22596	0.6
125.02468	11.7
135.04536	4.0
137.02483	3.6
137.06099	7.2
139.04018	5.6
141.05627	1.1
145.02919	1.0
147.04514	1.8
149.02382	1.1
149.06081	2.3
151.00381	1.0
151.04004	2.3
151.07590	0.9
153.05569	1.5
155.03487	0.8
159.04514	1.6
161.02457	0.8
161.06128	1.4
163.04019	3.1
164.04692	1.9
165.01935	2.4
165.05553	4.7
167.03505	25.2
168.00636	1.6
169.01462	6.5
170.23776	0.7
177.01938	1.6
177.05609	1.8
179.03505	7.6
181.05026	2.6
189.01897	1.1
189.05521	1.2
191.03517	1.4
193.05103	3.9
197.04561	2.4
201.02081	0.8
205.04997	0.9
207.06558	1.7
209.04570	38.6
210.04990	1.4
211.02516	4.7
219.03072	1.5
221.04544	10.5
223.06102	0.8
229.01424	1.0
233.04500	1.7
235.06120	3.2
239.05624	12.0
248.03250	1.2
249.03886	1.4
251.05618	100.0
252.05983	3.4
263.05664	3.7
265.07278	1.6
269.06689	0.9
271.04639	6.3
275.02020	3.7
275.05225	0.7
281.06696	61.8
282.06964	2.0
293.06708	4.2
301.00006	3.7
311.07767	16.6
312.07895	0.9
321.02701	0.8
323.07645	1.9
335.07605	0.7
353.08765	5.2
371.09903	13.1
383.09698	4.0
386.32480	0.7
392.61154	0.8
401.10715	1.9
429.10431	8.2
431.22534	1.0
491.14105	6.2
491.18622	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	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.8
59.01385	48.3
60.99300	11.0
69.03457	9.9
69.65927	7.9
69.66277	21.2
71.01384	60.7
72.99329	7.5
73.02950	6.5
75.00872	8.5
75.71707	5.9
78.40701	6.5
78.91904	8.6
79.01900	10.0
83.04997	5.8
83.63795	5.5
85.02978	10.7
88.98816	100.0
97.02962	7.2
99.00861	11.5
101.02476	7.9
107.01389	8.9
108.02222	7.2
115.00362	21.2
116.92908	9.3
125.02439	22.5
133.01450	25.6
135.00891	18.0
145.01433	27.0
146.01869	6.7
151.00349	7.7
152.01073	20.2
154.20517	5.8
163.02466	15.5
172.05257	6.5
182.43858	6.3
187.07542	6.3
192.95937	14.4
209.11821	26.5
242.05745	7.8
243.06390	18.7
283.13269	26.1
309.14792	7.9
327.16278	10.4
375.02164	6.6
405.07861	13.2
431.26273	12.7
448.13297	18.3
491.28168	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	491.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03457	1.7
57.17129	0.5
58.00600	1.2
59.01385	44.6
62.30443	0.5
62.77690	0.5
69.45020	0.9
69.45431	2.0
69.56969	0.5
71.01389	26.3
72.99326	0.9
73.02946	3.8
82.21933	0.5
83.01410	1.6
85.02957	6.5
87.00920	1.0
89.02450	19.2
91.01919	1.3
101.02442	3.1
105.47453	0.6
108.02171	2.7
109.02958	14.1
112.29666	0.5
113.02484	1.9
119.03528	1.2
123.04525	3.9
125.02449	1.0
131.03513	1.0
135.04536	0.7
144.05815	0.6
147.04552	0.6
149.04510	0.9
158.03732	0.5
159.04524	6.1
161.04607	0.8
171.04529	0.6
172.05295	5.0
173.06104	7.6
177.05707	0.7
187.07697	3.7
189.05583	3.2
190.06328	1.7
191.07137	2.1
196.57228	0.5
201.05579	0.8
202.06458	0.6
203.07178	1.4
205.08714	0.9
225.05647	1.0
238.06444	0.5
240.04337	2.1
241.02808	0.9
241.05069	8.5
242.05515	1.0
253.05093	2.7
255.06604	4.9
256.07367	1.0
263.07047	0.8
267.06592	2.0
268.07425	2.1
269.08118	1.8
279.06656	0.9
280.07465	2.0
281.08176	4.9
283.09747	2.6
295.09750	7.5
296.10596	3.3
297.11154	1.0
298.08469	1.2
299.09247	5.3
309.11209	0.7
311.09250	8.5
311.12866	1.9
312.09717	1.2
313.10855	11.5
314.11200	0.7
325.10684	1.2
326.11636	8.0
327.12173	1.8
329.10318	3.7
341.13925	13.3
342.14462	0.9
343.11972	1.7
344.12674	32.2
345.13150	2.7
359.15009	100.0
360.15326	5.8
476.17276	0.6
491.19266	84.6
492.19568	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	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62251	2.3
57.03463	2.9
59.01384	100.0
61.58771	2.8
61.98837	6.5
71.01390	28.3
72.99315	3.0
75.00904	2.2
80.11913	2.4
85.02962	8.0
87.00861	2.6
89.02465	55.8
101.02467	6.6
104.71186	3.0
113.02503	3.7
114.13508	2.4
123.00959	2.8
125.02464	3.8
131.03506	7.9
140.33287	2.6
145.03087	3.0
149.04596	4.2
169.01437	4.7
223.09796	4.5
255.10228	4.9
283.09760	22.1
295.09509	3.5
296.10300	2.7
311.09250	40.2
314.04172	2.8
326.11615	29.0
329.06601	7.2
341.13971	51.1
342.14581	3.3
491.27151	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	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.00592	1.4
58.11527	0.5
59.01382	100.0
61.98873	0.6
69.29503	2.9
71.01387	57.9
72.01709	1.0
72.99310	1.5
73.02962	3.0
73.36086	0.6
73.98174	0.5
75.00851	0.7
83.01401	0.7
85.02962	5.4
87.00862	1.4
89.02450	78.5
90.02783	0.7
101.02460	6.0
108.02196	4.0
109.02963	6.1
113.02454	9.9
119.03545	3.0
121.02963	5.6
121.05045	0.5
122.03764	4.7
123.04549	4.0
131.03510	10.5
134.03792	1.3
135.04533	1.6
136.05302	1.4
143.04987	1.0
146.03758	0.8
147.04594	0.8
149.04561	13.6
151.04005	1.1
158.03787	1.9
159.04524	5.8
160.05310	16.2
161.02559	0.6
161.06049	3.6
162.03258	0.9
171.04538	1.3
172.05312	10.4
173.06073	6.1
174.06856	1.3
175.04068	1.1
175.07639	7.9
178.06387	1.1
181.12329	2.2
185.06076	0.6
186.06831	1.1
187.07669	3.8
188.04776	0.9
189.05580	19.3
189.09195	0.8
190.06372	19.3
202.06296	0.8
203.07108	0.9
204.07881	0.9
205.08685	17.2
206.09087	0.9
253.08797	0.7
263.06973	1.0
265.08636	1.2
265.73746	0.6
280.07458	1.1
281.08270	5.4
293.08267	0.7
295.09839	2.2
296.10559	13.7
297.10828	1.1
308.10440	0.9
311.09372	1.4
311.12851	12.3
312.13431	1.3
326.11691	2.3
329.13977	3.6
333.11142	0.5
341.13934	81.2
342.14322	6.1
441.22104	0.6
447.22025	0.9
491.19897	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01730	1.1
71.01388	39.6
72.99307	2.0
77.58831	1.0
82.97086	1.3
85.02964	4.6
89.02451	61.8
96.03252	1.0
101.02436	3.0
102.58064	1.1
113.02457	6.7
131.03564	5.4
145.02936	2.3
149.04582	6.3
155.10756	1.9
162.00359	1.2
162.05759	1.2
180.07870	2.8
182.25401	1.1
223.09673	2.6
224.04842	4.1
225.09253	1.8
227.10672	1.3
238.06389	4.2
255.10223	9.1
266.05905	3.7
267.10013	1.3
269.11911	3.5
270.12646	3.1
282.09024	1.3
283.09766	34.1
284.10312	1.7
295.09769	3.6
296.10565	3.2
297.11304	1.8
298.12262	6.5
310.08676	1.6
310.12100	2.6
311.09286	81.9
312.09598	4.1
325.10770	2.4
326.07718	2.6
326.11615	50.6
327.11914	3.8
341.13959	75.0
342.14221	5.8
491.21237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03454	1.5
58.00600	0.7
59.01385	40.8
61.98843	0.7
65.00333	0.5
67.10505	0.5
69.57848	1.3
71.01388	24.3
72.99326	0.9
73.02968	2.2
83.01402	1.9
85.02960	5.1
87.00911	1.1
89.02454	20.3
91.01942	0.6
94.30569	0.5
101.02473	2.1
108.02209	2.3
109.02962	13.6
113.02468	1.2
119.03526	0.7
123.04529	3.4
125.02412	0.8
131.03516	1.1
135.04576	1.0
144.05826	0.6
149.04607	0.7
159.04515	4.5
171.04494	1.1
172.05331	5.1
173.06078	6.5
187.07681	4.4
189.05592	3.9
190.06371	1.2
191.07092	2.5
201.05551	1.0
203.07162	1.8
205.08771	0.7
217.08862	0.9
225.05441	0.6
240.04326	2.0
241.05074	9.4
251.07091	0.7
253.05154	3.3
253.08612	0.6
255.06721	5.3
263.07147	0.9
265.08719	0.8
267.06650	2.7
267.09909	0.6
268.07489	2.7
269.08191	1.1
279.06754	1.7
280.07367	2.0
281.08154	5.5
283.09787	2.6
293.08163	0.6
295.09805	7.7
296.10535	4.4
297.11087	1.0
298.08420	1.2
299.09274	5.2
309.11154	0.7
310.08511	0.9
311.09332	8.4
311.12698	1.0
312.09839	1.1
313.10846	11.2
314.11340	1.3
325.10895	1.6
326.11591	8.5
327.12363	1.7
329.10303	3.6
341.13943	14.6
342.14017	1.1
343.11804	2.9
344.12674	34.6
345.13138	2.1
359.15024	100.0
360.15396	7.1
431.23563	0.7
491.19275	93.4
492.19586	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	491.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61663	0.4
59.01384	0.9
71.01383	0.5
73.22582	0.3
89.02462	0.4
93.03443	1.2
101.02446	0.4
111.03009	0.3
119.05038	100.0
120.05372	2.9
125.02439	0.4
136.32954	0.4
163.04025	79.4
164.04378	2.6
186.83080	0.4
257.78387	0.3
280.75201	0.4
307.08307	0.6
403.23941	0.3
413.02066	0.4
418.61093	0.4
491.18982	1.1
491.27859	0.4
491.34369	0.6
491.80801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36331	0.4
56.59263	0.4
59.01383	11.6
65.82430	0.4
71.01387	3.2
72.52858	0.4
72.97545	0.7
73.02955	1.2
75.00872	0.9
79.95759	2.1
83.01407	1.4
85.02961	1.5
87.00895	0.7
89.02464	3.2
96.96023	4.6
99.00898	0.4
101.02437	2.3
107.01433	0.6
113.02453	1.5
119.03551	0.8
120.99668	100.0
122.00026	0.9
123.00930	0.6
125.02468	1.8
133.02943	0.7
135.03021	0.7
135.04553	3.7
143.03464	0.5
149.02419	1.1
151.55644	0.4
161.02446	0.8
161.04552	1.0
163.04109	0.4
165.05621	0.5
169.01422	2.4
177.01913	1.1
179.05594	0.9
183.10350	0.7
267.24796	0.4
275.02026	0.8
285.07684	2.3
300.99884	0.9
336.22217	0.4
339.07019	0.4
411.13342	6.3
412.13861	0.7
431.22772	1.9
447.12650	0.9
459.16891	0.5
491.19705	1.0
491.26352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19281	74.9
70.38663	10.6
71.01443	13.0
72.27972	13.0
81.06951	12.2
125.09735	25.9
171.10344	22.1
204.04121	14.5
207.10391	15.2
209.11807	47.8
217.12396	19.5
234.46883	11.5
284.51416	11.7
312.06039	12.3
373.23935	16.0
447.27606	26.8
473.25211	25.0
491.26755	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	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.93793	0.3
60.01720	0.9
65.98678	0.3
69.59473	1.1
71.01396	1.1
85.02971	0.3
89.02439	0.5
98.22612	0.6
101.02473	0.9
113.02523	0.5
119.94897	0.3
120.70870	0.3
122.78751	0.3
155.10791	0.5
161.04523	0.6
174.21683	0.3
204.46475	0.5
227.16570	0.9
327.04031	0.3
371.20956	0.4
389.21805	0.5
431.23166	1.0
433.86365	0.3
436.17041	0.3
506.16418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Lurasidone
Peak:m/z	Relative Intensity
52.30368	0.5
55.01881	1.6
57.03448	2.0
59.01381	20.1
62.66998	0.4
63.30525	0.4
69.03460	0.8
71.01389	18.2
71.05006	0.7
72.99335	0.8
73.02950	6.0
75.00898	0.6
79.92981	0.4
83.01406	2.9
83.05040	1.6
85.02956	9.6
87.00886	0.9
89.02456	6.1
95.01387	1.8
97.02933	1.1
97.06631	0.9
98.21795	0.9
99.00885	2.2
101.02448	16.1
101.06092	0.9
111.08169	3.2
113.02454	8.1
119.03508	1.6
119.07150	2.7
125.02426	1.4
138.16537	0.5
143.03484	0.9
152.33049	0.4
159.03021	1.4
161.04549	5.9
165.12859	17.7
167.10779	0.8
169.01511	0.9
183.13907	100.0
184.14240	3.5
209.11879	3.3
227.12898	5.0
281.12454	6.5
375.27509	0.6
473.23526	1.0
491.24933	85.8
492.25333	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	491.2655
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01378	3.6
61.86707	1.3
70.96391	1.3
71.01385	1.7
71.24854	1.5
80.02698	2.3
81.03440	3.3
83.05026	4.0
93.03467	2.0
95.05025	4.4
97.06572	4.0
98.21788	2.7
109.06602	8.4
120.05804	2.4
121.03030	1.7
121.06607	4.1
121.73264	1.4
123.08171	5.3
125.09737	13.2
134.03731	2.5
135.08142	2.5
137.09712	1.8
149.09708	2.7
161.09802	3.0
163.11313	6.9
165.12827	1.9
171.10286	37.4
175.11290	4.2
185.11844	16.2
187.11343	1.9
189.09193	2.0
189.12822	1.9
191.14375	2.7
201.12912	3.0
203.10893	1.9
203.14450	2.1
207.10304	17.0
209.11856	41.4
210.12234	2.9
213.09319	2.8
217.12360	12.3
219.10269	1.7
219.13835	2.9
221.11841	2.8
221.15462	1.8
225.11356	13.7
229.12425	2.6
231.10255	5.8
235.13406	6.0
245.11845	12.4
247.13420	8.1
249.11333	7.6
249.19658	1.3
263.12958	17.7
264.13443	1.4
265.14435	4.0
281.13837	2.0
295.22852	3.4
299.15045	3.9
303.15799	1.5
305.13965	5.0
319.15579	12.4
323.14993	3.2
337.16678	6.1
337.21899	1.5
355.22763	4.3
371.22565	1.9
373.23706	4.1
375.21835	2.6
399.21884	10.9
417.23062	7.6
447.23627	1.8
455.23773	1.8
473.25449	31.4
474.25357	2.6
491.06396	2.8
491.26556	100.0
491.33005	3.9
492.26932	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
57.03445	1.3
58.43447	0.6
59.01385	33.1
69.03465	1.6
71.01387	14.2
72.99312	1.2
73.02946	3.7
83.01407	2.7
85.02954	6.7
87.00887	4.6
89.02451	4.0
95.01384	1.3
99.00883	2.8
99.92549	0.7
101.02450	7.8
111.00872	1.0
112.01698	1.0
113.02463	4.7
116.92877	3.0
117.03472	1.3
119.03526	1.2
119.05059	1.4
124.01700	1.1
125.02457	1.8
127.11307	0.8
143.03474	0.8
143.10806	0.6
145.02936	4.7
153.09277	0.7
159.03052	0.8
163.03943	1.3
211.13400	1.6
212.13727	1.0
229.17918	0.8
239.20146	0.8
241.21774	0.9
247.17348	0.9
256.02969	0.7
265.52603	0.8
269.21289	4.9
287.22299	45.3
288.22641	2.1
299.22272	1.7
301.23767	1.0
329.23267	0.8
431.26523	24.4
432.26819	1.5
441.52246	0.7
449.27594	49.2
450.27927	4.1
491.28659	100.0
492.28943	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	491.3746
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
57.03450	4.5
59.01381	1.4
69.09440	0.5
98.21831	1.3
102.70663	0.6
107.05635	0.5
108.64002	0.5
109.92912	0.5
125.09718	0.5
132.07259	0.5
136.25859	0.5
139.40800	0.6
152.24150	0.6
209.11884	0.8
221.15555	0.6
288.06140	0.5
299.98996	1.2
433.33386	2.5
473.36691	0.6
491.06244	2.4
491.37469	100.0
492.37781	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	493.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17833	0.9
55.55268	0.9
59.01112	0.9
59.01376	3.9
60.94321	0.9
67.01875	1.2
69.03455	1.0
69.04936	0.9
69.32323	3.4
69.32733	2.3
71.01386	7.5
73.02949	1.1
76.06206	1.0
78.86854	1.0
79.01920	1.6
84.13438	1.1
85.02994	2.1
87.00845	1.5
89.02422	1.0
93.61053	0.8
95.01385	10.1
97.02962	1.7
100.16080	0.9
101.02470	2.7
105.03472	1.0
107.01398	14.1
107.05023	3.4
107.49272	0.9
113.02473	1.7
123.00901	23.9
123.04385	1.2
124.01685	13.0
125.02457	85.7
126.02812	1.7
134.03778	2.2
135.04536	96.0
136.04880	3.0
136.98856	1.2
137.02448	1.3
137.06097	3.3
139.00352	3.4
140.01213	1.3
141.01961	4.5
149.02415	0.9
151.00362	7.8
151.04018	1.4
153.01871	1.4
154.77333	0.9
165.01976	1.1
166.99876	16.9
168.00662	3.6
169.01434	100.0
170.01801	2.1
177.01955	3.6
178.02177	1.5
179.03514	43.1
179.47501	1.0
180.03891	1.8
193.01401	1.1
211.02493	1.3
241.03581	1.8
287.05521	1.1
297.09915	1.2
311.04190	3.4
313.05679	64.8
314.06018	2.7
341.08597	2.8
409.24338	0.9
449.10907	63.4
450.11273	4.8
493.09891	68.9
494.10181	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	493.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.3
66.64577	0.9
67.96418	0.8
69.03460	1.9
69.32462	4.2
71.01389	9.6
73.02931	1.0
79.01883	2.1
79.50197	0.8
81.03490	1.2
85.02960	2.8
89.02433	3.0
95.01398	9.3
97.02943	2.5
101.02440	3.6
107.01393	12.7
107.05051	5.7
109.02968	1.1
111.00876	1.4
113.02435	2.9
115.87997	0.8
119.03443	1.6
121.02921	1.2
123.00896	27.7
123.04531	2.2
124.01702	12.3
125.02460	78.3
134.03749	2.3
135.04536	100.0
136.04843	2.8
137.02440	2.8
137.06097	3.7
139.00401	4.9
139.03992	1.2
141.01932	5.2
151.00363	7.1
151.04019	7.8
161.02444	1.0
161.04552	2.0
166.99872	14.7
168.00700	5.1
169.01439	96.3
170.01736	2.6
171.29533	0.9
177.01926	1.1
179.03505	41.5
180.03812	1.2
181.01532	1.0
183.02783	1.0
194.99731	0.9
195.07489	0.9
211.02495	2.9
223.02650	1.0
225.44264	1.2
241.03488	3.9
243.06630	1.6
249.00989	0.8
266.41183	1.0
287.05725	2.1
311.04144	3.2
312.04892	1.1
313.05676	57.2
314.05875	3.1
341.08786	6.2
431.09659	1.1
433.24265	1.5
449.10895	47.3
450.11441	2.6
465.10400	1.6
493.09903	84.0
494.10205	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97382	1.2
59.01118	1.3
59.01379	7.2
67.01878	2.4
69.03464	3.6
71.01373	8.6
81.03470	1.7
83.01377	1.6
85.02962	2.4
88.98814	1.7
89.02479	1.5
95.01395	9.7
97.02987	1.8
98.03579	1.4
100.67339	1.4
101.02441	2.8
107.01414	13.7
107.05002	4.0
111.00899	1.9
113.02470	2.2
121.02980	1.6
123.00902	35.6
123.01717	1.4
124.01672	13.2
125.02463	81.9
126.02768	2.5
132.32030	1.2
134.03734	1.6
135.04538	66.0
137.02420	1.7
137.06088	3.6
139.00381	5.9
141.01933	3.6
146.35001	1.4
151.00403	8.5
161.02406	3.2
166.99864	18.8
167.03529	1.3
168.00624	4.3
169.01437	100.0
170.01717	2.1
179.03519	5.6
194.05881	1.8
209.08223	1.6
210.84502	1.5
211.02448	2.9
229.01306	1.6
235.42162	1.3
274.00974	1.6
275.01956	4.4
299.99084	2.4
300.99792	7.5
311.00784	1.3
311.04111	5.2
313.05676	50.5
314.06061	2.4
322.98080	2.8
341.08859	1.6
449.10898	85.9
450.11246	7.5
493.09875	43.1
494.10098	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	493.1205
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
52.37537	0.5
55.46101	0.5
56.79192	0.5
59.01382	10.0
59.02012	0.5
67.01894	0.7
67.91051	0.5
69.03445	0.6
70.29089	0.7
70.85169	0.5
71.01387	4.2
71.52355	0.5
73.02933	0.9
79.01876	0.9
83.01416	0.7
85.02956	2.4
87.00862	1.5
89.02452	5.2
95.01396	1.7
97.02955	1.0
99.00890	0.7
101.02446	3.4
107.01408	4.8
113.02448	2.6
119.03500	1.8
123.00902	11.4
124.01687	7.4
125.02461	24.4
126.80201	0.5
137.02423	0.7
139.00368	1.6
140.01205	0.9
141.00912	0.5
141.01959	2.1
151.00383	5.4
161.04564	1.4
167.03474	1.1
168.00655	5.9
169.01436	35.0
170.01714	0.9
179.05611	2.2
211.02498	21.0
212.02699	0.7
253.03619	1.0
271.04599	32.3
272.04965	0.9
313.05634	4.6
331.06705	4.0
373.07709	2.2
433.09811	1.4
493.12024	100.0
494.12515	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	493.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49060	0.4
59.01381	1.2
67.01897	0.6
68.69857	0.5
69.03445	0.8
69.90877	1.5
69.91226	0.7
71.01395	3.1
73.02941	0.9
75.65552	0.5
79.01890	1.4
81.03472	1.2
83.01393	0.6
84.77607	0.5
85.02952	0.9
95.01407	1.1
97.02947	1.4
101.02465	1.1
107.01403	8.6
111.00898	1.4
112.12099	0.5
113.02465	1.0
123.00896	10.7
124.01675	11.1
125.02463	47.5
126.02763	0.8
135.04558	0.6
137.02386	0.7
139.00371	1.9
140.01140	1.8
141.01907	2.7
145.02914	0.8
146.03741	11.5
146.17172	0.5
147.04459	1.2
151.00394	7.3
153.01947	0.6
161.06129	3.4
164.04807	8.8
165.05582	0.8
168.00650	4.2
169.01439	59.0
170.01735	1.1
179.07153	7.9
183.02966	1.3
211.02451	1.8
223.02577	0.5
241.03600	1.1
253.03510	1.1
297.06253	0.8
299.31262	0.5
313.05667	23.9
327.07178	1.3
474.21140	0.6
493.13559	100.0
494.07321	0.9
494.13904	8.9
509.22461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35628	0.5
55.01863	0.5
59.01378	7.4
60.89231	0.5
61.98802	0.6
65.11511	0.6
69.03459	1.3
71.01387	6.5
73.02934	1.6
79.01923	1.4
81.03458	0.7
83.01390	0.9
85.02955	2.3
87.00878	1.8
89.02441	1.8
92.59691	0.4
95.01396	2.1
97.02959	1.5
98.21785	1.0
98.29159	0.5
99.00919	0.5
101.02464	2.9
103.93313	0.5
105.01930	3.1
107.01395	9.1
110.00118	0.4
111.00863	1.1
112.11625	0.5
113.02480	2.9
119.03519	0.5
123.00889	13.2
124.01675	10.9
124.35302	0.5
125.02454	53.3
126.02796	1.0
127.00381	0.8
133.02931	1.7
135.04535	10.8
136.98843	0.9
139.00400	2.4
139.04004	0.6
140.01167	1.6
141.01930	2.0
146.03751	13.0
147.04471	1.4
151.00391	7.9
151.04001	0.6
153.01973	1.3
155.92799	0.5
161.02469	3.0
161.04700	0.9
161.06099	3.6
164.04796	9.0
165.05505	1.7
168.00653	4.4
169.01433	73.0
170.01817	2.1
179.03522	2.0
179.05664	0.7
179.07120	8.5
181.04976	0.5
183.02985	1.5
211.02557	3.1
241.03546	1.5
258.28189	0.5
265.31598	0.5
271.04578	3.7
313.05649	26.5
314.06079	0.8
327.07260	1.4
343.11459	0.5
372.14804	0.6
414.73947	0.5
433.24573	0.7
449.10922	6.5
493.13635	100.0
494.13974	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	493.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03435	0.5
59.01387	18.4
61.98854	0.8
65.59361	0.4
67.01868	0.7
69.03455	2.1
71.01391	9.0
73.02950	5.9
79.01884	1.2
81.03474	1.4
83.01402	2.3
83.61337	0.4
85.02966	2.4
87.00890	1.0
89.02454	3.5
90.08154	0.4
90.42982	0.5
95.01395	1.8
97.02944	1.8
98.22730	0.8
99.00913	0.6
99.04470	0.5
101.02458	7.7
102.45387	0.5
105.22514	0.4
105.88775	0.5
107.00726	0.8
107.01400	11.4
111.00882	1.5
111.81992	0.4
113.02477	3.7
115.04008	0.7
119.03531	2.2
122.99996	0.7
123.00900	13.6
124.01673	12.1
125.02460	60.4
126.02795	1.3
127.00475	0.6
135.04544	9.4
136.98805	0.9
137.02446	0.9
139.00389	2.6
139.04025	1.0
140.01154	2.0
141.01956	3.0
143.03563	0.6
145.02943	0.7
146.03755	14.0
147.04483	1.5
151.00381	9.3
153.01952	0.7
161.02394	0.6
161.04585	2.3
161.06111	4.5
163.04022	0.6
164.04817	10.4
165.05486	1.4
168.00656	4.4
169.01448	69.7
170.01764	1.7
177.01968	0.9
179.03581	4.1
179.05591	1.3
179.07132	9.4
183.03018	1.1
191.47043	0.5
193.01422	0.5
211.02533	1.6
221.51187	0.6
241.03584	1.4
271.05035	0.6
271.15604	0.7
297.06223	0.7
313.05682	27.7
314.06049	1.0
315.12466	0.5
327.07358	1.5
331.06927	0.9
341.08939	0.7
433.24451	6.4
449.10968	1.0
454.14780	0.5
493.13672	100.0
494.13989	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	493.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03431	2.9
58.00572	1.5
59.01385	47.0
69.07320	4.5
69.07739	3.0
71.01029	1.6
71.01385	24.3
72.99311	2.5
73.02921	3.1
78.02165	0.9
78.95894	1.2
80.50182	1.0
81.03439	1.4
83.01366	1.8
83.05003	3.4
85.02940	4.5
89.01948	1.3
89.02451	18.5
95.01353	1.6
97.06569	2.1
101.01920	0.9
101.02449	11.6
109.06608	1.7
111.08112	3.5
113.02478	5.6
114.01146	1.0
119.03468	4.0
121.59592	1.1
123.08186	1.5
125.09730	2.6
136.93829	0.9
163.11224	3.4
165.12863	30.2
166.13071	1.9
167.14328	1.4
171.10260	13.5
179.05553	2.3
183.13916	100.0
184.14178	3.8
192.44345	1.0
197.15474	39.0
198.15761	2.5
203.14302	1.4
207.13812	4.5
209.11839	54.3
210.12073	3.2
211.13336	1.5
225.11369	1.4
225.14981	10.0
227.12936	13.3
235.13451	1.0
241.14458	2.3
247.13362	7.6
249.15031	1.7
265.14362	3.3
279.15860	1.1
325.86398	1.1
352.99054	1.1
375.21216	1.3
375.25388	1.3
401.23114	2.6
471.01114	1.1
475.27359	6.5
493.24219	77.1
493.35431	3.6
494.24658	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	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03437	3.3
58.61632	1.2
59.01386	100.0
61.98823	2.9
69.03432	1.5
69.37967	4.4
69.38372	2.7
71.01022	2.3
71.01391	35.3
71.05065	1.7
71.51378	1.2
73.02953	9.2
83.01385	4.1
83.05034	1.8
85.02956	14.5
87.00885	1.5
87.04510	2.9
89.02457	34.6
95.01394	3.5
97.02932	1.4
99.00894	2.0
101.02454	26.3
113.02457	18.6
113.46030	1.2
119.03503	11.8
121.02790	1.2
123.00893	2.2
124.01665	3.9
125.02428	7.5
131.03490	3.2
134.99461	1.6
135.04523	4.5
143.03503	4.5
149.04552	1.7
150.03210	3.2
151.00400	2.8
155.10799	1.7
159.10249	1.9
161.04602	11.1
162.03162	1.6
163.04024	1.3
165.05545	4.9
168.00627	3.6
169.01370	7.1
179.05632	12.6
181.05067	2.1
183.10292	1.8
193.05226	1.3
196.03487	1.2
211.02455	4.5
229.14517	1.4
271.04688	6.5
271.19168	4.1
273.15002	4.4
279.16245	1.5
289.20178	2.5
313.00034	2.1
315.00424	3.6
321.15518	3.2
331.06693	3.8
361.15692	1.9
363.20447	2.2
383.37946	1.5
391.21310	12.4
399.04193	1.7
432.81158	1.6
433.24484	34.5
434.24979	1.9
439.24982	1.9
441.81848	1.4
451.25336	4.4
451.32938	4.6
457.25751	1.4
493.08722	4.2
493.18329	2.1
493.28409	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	493.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.01385	100.0
60.01728	0.9
61.98837	2.8
67.86584	0.8
69.03455	2.0
69.51320	3.7
71.01389	38.4
73.02943	4.7
74.99119	0.8
83.01384	1.1
85.02955	7.9
87.00883	3.1
89.02451	51.9
93.18267	1.0
95.01409	2.9
101.02445	18.4
101.06133	1.1
103.78161	0.9
113.02452	18.2
119.03510	20.9
124.01699	2.0
125.02456	2.1
131.03528	3.1
135.62888	0.8
139.11287	2.4
143.03526	5.4
149.04535	1.9
155.10765	1.2
159.02988	0.9
161.04578	6.7
169.01421	2.4
179.05618	25.1
179.07182	1.5
183.10283	15.1
183.11841	1.5
224.54790	0.9
228.57243	1.2
249.15089	1.2
261.69116	1.0
267.10858	2.7
270.22220	0.9
273.15094	2.6
281.12399	2.7
346.13406	2.2
359.14990	1.4
360.15222	2.1
361.15656	6.4
365.55710	1.1
373.20129	3.1
391.21198	10.8
433.24603	11.2
457.26065	1.5
475.26779	1.2
493.13248	1.2
493.20056	7.5
493.28513	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2815
Annotation	Herkesterone
Peak:m/z	Relative Intensity
55.01883	0.4
56.94442	0.3
57.03210	0.4
57.03453	5.0
58.00582	0.6
59.01389	4.1
60.37598	0.3
61.56612	0.4
61.98826	1.5
69.03442	0.6
69.46854	1.3
71.01376	1.6
71.05041	2.7
73.02948	1.5
83.01365	0.4
85.02950	1.6
85.06570	0.6
87.08167	0.4
89.02470	0.7
95.05043	0.5
97.06592	1.7
101.02385	0.6
107.05091	0.4
109.06571	0.6
113.06107	1.6
115.07646	6.8
124.01691	0.7
125.02438	0.6
125.06144	0.6
125.09728	1.6
131.07184	0.6
131.08540	0.3
135.04526	0.6
143.10782	0.7
154.83159	0.4
161.02428	1.4
161.04568	0.4
164.03583	0.6
169.01421	0.6
175.07635	0.8
177.01915	0.5
183.13924	3.6
184.14294	0.4
187.07692	0.5
189.09167	0.8
191.10735	0.5
212.08549	0.3
213.09258	0.7
227.10756	0.4
227.12808	0.7
227.14836	0.4
229.12343	1.9
229.14435	12.5
231.13802	0.4
245.11827	1.9
263.12854	3.8
263.16733	0.5
264.13565	0.4
265.14456	8.0
271.04538	0.5
271.13336	0.5
295.16562	0.5
297.18573	0.5
301.18201	0.7
337.21603	0.6
346.11716	0.5
413.27106	0.4
457.16843	0.5
475.26898	0.7
493.28064	100.0
494.20978	0.7
494.28333	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	493.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.7
59.01382	9.3
61.98841	3.6
69.03435	0.5
71.01389	3.7
71.05048	2.0
73.02947	2.5
75.00901	0.4
83.01385	0.7
83.05026	0.4
85.02963	1.9
85.06612	0.4
87.00832	0.6
87.04517	0.7
89.02441	1.9
90.27808	0.4
90.62897	0.4
95.01403	0.5
97.06616	1.0
97.96076	0.4
98.22639	0.8
99.04576	0.4
101.02444	1.7
104.23846	0.4
107.05032	0.8
109.06603	1.2
113.02459	1.3
113.06088	1.8
115.07664	6.5
117.03482	0.5
119.03450	0.5
119.05068	0.8
120.99603	0.5
123.04533	0.6
125.02448	1.4
125.06079	0.6
125.09739	2.0
128.76695	0.5
128.77856	0.4
131.07172	0.8
133.02966	1.0
135.04510	0.9
137.06181	0.4
143.10818	1.1
145.02962	1.4
146.03702	0.5
149.89049	0.4
153.05560	0.5
159.04521	0.5
161.02454	2.9
161.04507	0.5
163.04037	0.5
165.03914	0.5
166.06348	0.5
169.01402	0.9
173.11905	0.6
175.07639	1.1
177.01874	0.6
177.09215	0.5
183.13904	3.5
189.09227	0.9
211.13391	0.4
213.09370	0.5
221.03432	0.4
225.68774	0.4
226.32198	0.4
227.12784	0.8
227.14745	0.5
229.12366	1.5
229.14426	12.2
231.10088	0.4
245.11829	1.4
263.12872	4.0
263.16556	0.6
263.66272	0.4
265.14462	7.6
271.13486	0.6
271.16916	0.6
301.18088	1.4
346.11658	0.9
403.10495	0.6
433.24097	0.7
457.17093	1.3
475.26801	0.8
493.28036	100.0
494.21094	0.6
494.28369	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	493.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73445	0.2
55.01873	0.4
57.03456	6.1
57.26870	0.2
59.01385	6.2
61.98841	2.0
65.76099	0.2
69.03452	1.5
71.01389	5.3
71.05031	4.5
71.42514	0.3
72.02151	1.2
72.55954	0.2
72.99307	0.2
73.02953	1.8
74.02448	0.2
81.03481	0.8
83.05051	0.3
85.02962	14.8
85.06599	9.7
85.07121	0.5
86.06922	0.4
87.04527	1.5
89.02456	1.7
93.03495	0.3
95.05031	1.4
97.06602	81.5
98.06910	1.8
99.04498	0.3
101.02466	0.4
101.09716	2.0
107.05043	2.4
109.02959	0.7
109.06623	0.6
111.04526	0.6
111.08130	0.3
113.02447	0.4
113.06091	1.5
115.07696	1.1
119.04999	0.3
119.08664	0.5
120.99676	0.5
121.02969	3.4
121.06604	0.3
122.03751	2.2
123.04575	0.5
124.01712	0.3
125.06102	2.7
127.07686	0.8
129.09238	8.6
129.37659	0.2
131.43243	0.2
133.06602	0.6
135.04535	0.4
135.08208	0.6
136.05344	0.6
137.06113	0.5
137.09737	2.8
143.10765	1.2
147.04556	1.5
149.06091	1.1
151.07678	0.6
153.09192	0.3
155.10834	1.6
161.06125	1.1
161.09793	0.4
162.06860	0.5
163.07632	0.8
163.11290	0.3
165.05589	3.5
169.01390	0.2
171.10300	0.9
172.11075	0.9
173.11844	82.1
174.12190	2.5
175.07649	0.5
175.11244	0.3
176.08397	0.4
177.09195	0.5
179.07170	1.1
183.11882	0.5
189.09172	0.5
189.13004	0.2
191.07155	0.3
191.10730	0.4
199.11349	0.4
201.09317	0.3
203.10797	0.6
211.14967	1.4
213.12894	0.8
215.14433	0.3
219.10223	0.5
221.09726	0.8
221.11668	0.4
225.12889	0.4
227.14474	0.6
229.15913	0.5
231.13913	1.5
233.15543	1.6
237.11275	0.7
239.10860	0.3
239.14600	0.4
243.14000	0.3
245.15515	0.9
247.16991	1.3
249.12828	0.8
249.15092	1.0
250.12122	1.1
251.12820	0.6
253.12581	0.3
255.13948	1.1
257.15579	0.6
259.17383	0.3
265.16092	0.8
267.13916	3.9
269.15619	0.4
272.14206	0.3
273.14996	3.4
281.15494	0.5
283.17062	4.2
285.14990	2.9
285.18646	1.1
291.21307	0.7
295.17056	0.3
298.12250	0.4
299.16507	0.9
301.18103	11.3
302.18542	0.8
303.19720	0.5
304.16705	0.3
311.16446	0.4
313.14554	0.9
313.18143	0.7
316.13083	0.3
317.17603	0.3
319.19171	26.4
320.19431	1.8
328.13126	0.8
329.17688	0.3
331.19147	1.6
343.15512	2.9
345.20923	0.7
346.14279	0.9
347.18811	0.6
349.20303	0.6
355.19003	0.4
361.16568	14.9
361.19955	0.8
362.16968	1.0
363.23273	0.4
365.21054	0.4
373.20288	2.0
381.24445	1.4
387.22137	0.3
391.21371	5.2
392.21686	0.6
396.77753	0.3
399.25497	3.4
400.25763	0.3
417.26553	3.8
418.26538	0.5
457.29755	0.9
459.27621	0.7
475.30936	3.9
476.30981	0.6
477.28879	1.2
491.30441	0.5
493.21494	8.1
493.31772	100.0
494.20914	1.0
494.32135	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.9
59.01382	2.3
61.98809	0.2
69.03471	1.3
69.41125	0.5
69.41515	0.6
71.01390	1.6
71.05026	3.6
72.02180	0.8
73.02960	1.3
81.03471	0.6
83.05032	0.6
85.02962	14.9
85.06600	8.3
85.07118	0.4
86.03275	0.2
87.04539	1.3
89.02448	0.3
93.03440	0.2
95.05021	1.0
97.06602	63.4
98.06961	1.0
99.04523	0.4
101.09763	1.6
107.05064	1.5
109.06603	0.6
110.29733	0.2
111.04484	0.3
111.08154	0.4
113.02499	0.2
113.06107	1.0
115.07665	0.9
119.05003	0.2
119.08695	0.4
121.06578	0.3
123.04539	0.4
123.08144	0.3
125.06110	2.7
127.07682	0.6
129.09241	6.5
129.10197	0.3
133.06607	0.4
135.08205	0.5
137.06104	0.4
137.09720	1.9
138.05882	0.2
139.07660	0.3
141.91112	0.2
143.10809	0.6
145.12494	0.2
149.06093	0.6
151.07690	0.3
155.10835	1.1
158.09464	0.5
159.08234	0.3
159.10257	0.4
163.07678	0.6
163.11311	0.5
165.09297	0.2
171.10339	0.4
173.11842	58.6
174.12148	1.3
175.11308	0.3
177.09232	0.5
183.11871	0.4
185.09663	0.4
189.09311	0.2
189.12933	0.2
191.10837	0.5
197.09726	0.4
199.07600	0.2
199.11380	0.3
203.10786	0.4
211.14928	1.1
213.12880	0.6
219.10298	0.4
221.09860	1.1
221.11745	0.3
225.13007	0.4
227.14445	0.4
229.15973	0.5
231.13960	1.3
233.15428	1.4
235.11395	0.2
237.11406	0.6
239.10785	0.4
239.14447	0.5
239.23586	0.2
243.13878	0.6
245.15594	0.8
247.16988	1.1
249.12842	0.7
249.15100	0.9
250.12135	0.9
251.12943	0.6
255.13960	0.6
257.15540	0.7
261.15012	0.4
265.13297	0.4
265.15781	1.1
267.13928	3.3
268.14319	0.2
269.15805	0.2
273.15051	3.0
274.12299	0.2
277.14493	0.4
281.15500	0.3
283.13626	0.5
283.17056	3.9
284.17484	0.3
285.14978	3.4
286.15378	0.3
291.21252	0.2
293.15308	0.3
299.16544	0.6
301.18118	10.1
301.21555	0.5
302.18552	0.5
303.16107	0.2
304.16760	0.4
311.16559	0.3
317.17761	0.2
319.19177	21.4
320.19476	1.2
329.17828	0.4
331.19250	0.5
343.18890	0.3
345.21188	0.3
347.18787	0.4
349.20395	0.3
355.19324	0.4
361.20313	0.9
365.21237	0.3
373.20190	1.6
381.24512	0.9
391.21304	3.8
392.21722	0.3
399.25601	1.1
407.28088	0.4
417.26498	1.6
439.28812	0.3
457.29837	0.8
459.27567	0.5
475.30948	2.4
477.28210	1.1
493.31860	100.0
494.32208	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	493.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.9
59.01383	2.7
61.98794	1.8
61.99109	0.5
69.03446	0.7
69.96466	0.5
70.12246	1.2
71.01371	1.6
73.02925	2.1
80.27688	0.6
83.04998	0.7
85.02956	4.2
85.06561	1.0
87.04525	4.6
92.30943	0.5
97.06593	3.4
98.21959	0.8
101.02435	1.0
109.06577	0.8
111.08148	1.5
113.06099	4.9
114.78667	0.4
121.06583	0.7
123.00871	0.5
129.09192	1.5
147.04549	7.2
161.02443	1.2
165.02020	0.8
165.05478	0.6
173.11835	3.1
175.11282	0.5
177.09180	0.6
183.10248	0.7
187.13390	1.4
201.12860	1.0
211.11255	1.5
225.11267	0.7
227.14409	11.5
228.14648	0.6
243.13960	0.8
245.15497	2.5
247.17122	0.7
249.17360	0.6
255.13919	1.3
257.15533	1.2
261.14908	1.6
263.16541	100.0
264.16898	4.7
269.15536	0.9
271.17020	1.3
275.16599	2.2
287.16571	1.4
289.17987	3.7
297.20792	0.6
302.15497	0.6
317.17664	1.2
319.19214	1.0
361.20065	0.6
363.21817	4.7
475.30893	1.8
493.20511	0.9
493.31870	37.5
494.32544	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	494.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85141	0.4
59.01378	1.8
61.98838	0.9
64.37124	0.5
66.17269	0.4
69.21393	1.5
69.21800	1.3
71.01382	0.9
72.69036	0.5
81.03460	1.5
83.05028	6.3
85.02965	0.5
87.04507	1.1
89.02443	0.9
98.22614	1.0
101.02489	0.6
104.27878	0.5
108.04574	0.5
125.07206	1.0
183.23793	0.5
207.15065	1.0
224.17719	1.0
225.16074	5.1
324.26569	1.0
325.06140	0.5
333.22940	1.5
351.23853	0.6
387.47226	0.5
392.21619	1.8
413.75662	0.5
421.87958	0.5
433.31738	3.7
451.32913	100.0
452.33215	10.3
494.33670	2.7
495.21265	0.7
495.28653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.9292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63523	0.7
59.01379	2.3
60.07632	0.7
69.63950	2.8
84.12597	0.8
84.98414	0.8
90.39277	0.7
90.92499	0.7
134.96101	7.1
136.94029	34.3
137.94066	1.3
151.92763	1.4
152.91780	52.1
167.90488	2.9
174.74586	0.8
178.95070	46.2
179.95200	3.1
194.92831	88.4
212.93950	6.9
226.88591	13.8
230.84430	0.7
250.93971	1.6
252.91774	1.6
255.86044	1.0
266.91586	1.0
268.89627	20.1
268.92499	1.7
292.95050	4.8
294.92911	9.5
295.92664	1.1
310.90701	39.2
336.94012	52.2
337.94131	5.0
352.81464	2.3
352.91766	100.0
353.31491	1.2
353.92123	2.4
384.28555	2.3
394.82184	2.0
424.75891	0.9
432.76785	3.8
433.27054	1.4
433.76993	1.4
441.77374	2.3
474.30664	0.8
494.77142	1.1
494.93073	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	495.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19380	1.5
53.89945	1.5
57.17825	1.4
59.01381	13.5
71.01391	11.3
72.10341	1.6
73.02947	2.0
74.99796	1.6
83.01382	3.0
85.02966	5.0
89.02470	4.0
93.03468	3.2
94.88433	1.7
95.01385	3.0
96.96027	2.9
97.02943	2.1
101.02471	7.0
105.03476	4.1
107.01419	8.3
107.05049	2.1
113.02484	3.7
116.71502	1.5
117.03482	4.1
119.05035	6.1
121.02977	2.0
123.00892	10.2
124.01710	3.5
125.02464	35.2
133.02989	6.9
135.04544	9.8
137.02428	4.3
145.02962	9.9
146.03726	2.1
147.04468	8.6
151.00414	7.1
153.01923	4.0
161.02467	20.7
162.03026	1.5
163.00414	2.9
163.04018	29.7
164.04541	1.8
165.05656	2.2
168.00665	3.6
168.99962	2.9
169.01439	59.6
170.01804	3.1
173.02499	5.3
173.04575	4.5
173.10452	1.8
174.03140	1.5
175.04080	2.0
177.01950	1.6
187.00334	1.6
189.01971	22.9
190.02759	15.0
191.03532	72.0
191.05577	8.1
192.03827	2.7
203.03616	3.7
206.02299	1.8
207.03050	3.4
209.04517	2.5
211.02516	9.9
212.02881	2.4
213.03180	1.4
214.99948	2.1
215.03542	3.0
216.00560	1.9
217.01443	13.9
229.01434	1.9
231.03038	5.3
233.00970	2.1
235.02477	34.2
245.00931	3.4
247.02617	2.4
249.04071	2.8
259.02402	3.5
259.99658	2.8
261.00406	40.2
262.00604	2.8
271.04565	16.8
272.04956	3.2
273.05038	4.9
275.02078	4.3
277.03497	4.4
289.03482	2.0
300.99960	3.2
303.01416	2.2
307.04761	3.6
319.04742	7.6
321.01480	2.8
325.05722	1.8
331.06946	1.8
343.06738	28.0
363.03647	12.4
364.04193	2.9
374.98843	11.8
375.08130	2.0
375.99207	1.8
379.06747	19.6
410.05249	1.6
423.05725	100.0
424.05969	6.9
451.06131	2.4
494.12366	4.7
495.13461	79.3
496.14069	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	495.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
71.01389	9.3
71.40203	1.0
72.99328	1.8
73.02940	2.0
75.12672	0.9
83.01388	1.6
85.02959	3.0
87.00895	1.2
89.02448	1.5
91.04647	1.2
93.03442	1.3
95.01365	1.3
99.00882	1.0
101.02453	4.6
105.03450	2.5
107.01440	1.0
109.02937	1.5
111.00911	0.9
111.25144	1.1
113.02457	2.6
117.03458	4.0
119.05015	3.7
121.02979	1.3
123.00875	2.2
124.57610	1.0
125.02433	3.6
130.08786	1.8
133.02969	7.0
135.04530	9.8
137.02412	1.9
145.02959	7.6
146.03735	1.0
147.04524	7.8
149.02434	1.8
151.00426	1.1
152.91801	1.0
159.04578	1.7
161.02446	21.6
161.06071	1.0
162.03168	2.2
163.00414	2.6
163.04015	29.7
164.01140	2.4
164.04301	1.9
165.01973	2.2
165.05550	4.0
169.01443	5.7
173.02449	7.9
174.03163	1.2
175.04045	1.5
176.01144	1.4
177.01901	2.2
187.00484	1.0
188.01135	1.6
189.01947	24.4
189.05556	1.9
190.02737	18.2
191.03519	84.9
192.03841	2.6
193.05115	1.3
194.92786	1.1
194.95616	1.5
203.03525	2.4
205.01453	2.2
206.02087	1.0
207.03015	6.2
209.00932	1.7
209.04482	4.9
215.03484	2.6
216.00662	2.1
217.01483	16.8
217.05019	3.3
218.02068	1.0
219.02960	3.3
231.03000	5.7
232.00299	0.9
233.00882	3.2
233.04462	1.8
234.01682	2.7
235.02504	36.3
236.02838	1.5
237.04083	1.5
245.01010	3.7
245.04515	2.5
247.02605	1.7
259.02545	6.0
259.99667	1.5
261.00412	50.3
262.00793	2.7
275.02136	1.2
276.02670	1.0
277.03500	3.8
284.29709	1.0
289.03455	2.1
300.99869	1.4
303.01498	5.4
305.32770	1.0
307.04651	2.7
319.01199	1.7
319.04596	12.9
321.01379	2.2
332.98328	1.4
333.02350	1.9
335.03879	1.7
343.06839	2.0
362.99405	1.2
363.03638	19.5
374.98969	10.3
379.06729	22.8
380.07153	1.2
423.05731	100.0
424.05923	7.9
435.00742	1.3
451.05029	2.0
494.12354	3.2
495.03003	1.3
495.12689	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
67.01904	1.2
69.03477	0.7
69.93687	1.2
71.01397	1.1
73.32207	0.4
75.73430	0.3
79.01909	0.5
81.03475	0.9
83.05058	0.5
83.72815	0.3
85.02967	1.5
87.00884	0.5
87.29095	0.3
87.44489	0.3
93.03472	7.0
97.02988	0.5
99.04553	0.6
103.33801	0.3
107.01414	4.2
111.00906	0.6
111.04530	3.1
113.02467	0.5
118.23868	0.4
123.00891	0.5
124.01695	0.9
125.02467	41.4
126.02827	0.8
127.04060	0.6
137.02466	2.6
143.03552	0.7
155.03539	3.4
156.26460	0.4
169.01450	100.0
170.01740	2.4
173.04575	21.7
174.05006	0.7
191.05638	16.4
192.06110	0.5
193.01462	1.3
211.02521	0.9
226.20895	0.4
275.39139	0.4
294.86392	0.4
309.70831	0.4
325.05740	8.2
326.05838	0.4
343.06738	62.3
343.98856	0.4
344.07095	3.9
495.07895	8.2
496.08328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93291	0.5
56.07219	0.5
57.94758	0.5
59.01375	1.0
63.71751	0.5
64.38190	0.5
67.01888	1.5
69.03455	1.3
69.62422	2.5
71.01372	1.7
81.03464	1.5
85.02949	3.4
87.00887	3.1
93.03468	7.3
96.04581	0.7
97.02937	0.8
98.22597	0.7
99.04510	0.8
107.01411	6.3
109.03019	0.6
111.00896	1.1
111.04528	3.2
113.02435	1.0
114.90984	0.5
123.00869	0.6
124.01652	1.0
125.02461	44.9
126.02822	1.1
126.98896	2.8
127.00053	0.6
127.04030	1.0
137.02454	2.1
143.03461	0.8
144.99971	0.8
145.02911	0.6
155.03510	2.4
157.19316	0.5
161.02458	1.2
163.04047	2.0
168.01660	2.7
169.01440	100.0
170.01797	2.6
173.04565	21.1
189.01952	1.6
190.02705	0.8
191.03568	5.1
191.05632	30.2
192.05943	0.9
193.01465	1.5
211.02507	0.9
213.00133	0.7
217.01546	1.2
222.91270	0.6
235.02562	1.7
243.10040	0.9
247.05687	1.3
261.00427	3.2
265.06818	0.9
275.97763	2.5
295.52219	0.7
300.99643	0.8
303.01706	0.7
319.04657	0.7
325.05646	7.2
343.06723	66.5
344.07062	3.7
363.03629	1.2
379.06757	1.1
379.98676	1.1
423.05823	7.7
424.05835	0.7
447.36966	0.6
451.05368	0.7
495.07785	8.8
496.06839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41809	0.6
54.37619	0.5
59.01383	0.8
59.96432	0.6
65.13048	0.6
67.01884	1.2
69.03455	1.2
69.59780	0.5
70.99398	0.9
79.92177	0.5
83.05038	0.7
85.02972	3.0
86.78268	0.6
87.00922	0.8
93.03480	8.4
97.02972	1.0
99.04517	1.1
107.01404	7.5
109.02957	0.8
111.04523	3.3
123.00912	0.9
125.02467	44.8
126.02822	1.4
127.04056	0.8
137.02443	2.3
142.67552	0.6
143.03525	0.7
155.03551	2.6
169.01447	100.0
170.01831	2.0
173.04572	18.5
174.04961	0.7
191.05640	49.0
192.05878	0.9
193.01511	1.2
211.02585	0.5
260.93188	0.6
300.99988	1.0
325.05676	7.7
343.06741	77.9
344.06937	5.1
495.07886	9.6
496.07809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1153
Annotation	tarocin A1
Peak:m/z	Relative Intensity
56.39925	0.6
57.03460	1.5
58.08727	0.5
59.01385	8.4
61.98841	4.7
67.01902	1.0
69.03458	1.8
69.21325	3.3
71.01384	7.4
71.05016	1.0
73.02960	3.7
75.11765	0.5
78.01106	0.6
79.01903	1.9
81.03467	4.4
83.01398	1.6
83.05045	1.7
84.98817	0.5
85.02953	4.3
85.51421	0.5
85.83839	0.5
87.00909	0.6
87.04523	17.3
89.02460	2.3
91.01900	1.1
93.03463	0.5
95.01372	2.7
96.96013	0.6
97.02944	2.4
98.21912	1.0
99.00888	0.9
99.04532	4.6
101.02447	2.8
107.01398	15.4
108.02203	2.3
109.02989	0.9
109.06516	0.6
111.00893	2.0
111.04530	0.6
113.02474	2.2
115.07658	1.0
119.03560	0.8
121.02974	0.9
122.03791	0.6
123.00898	19.2
124.01672	13.1
125.02458	71.6
126.02812	1.8
127.00410	0.5
129.05656	0.5
135.00871	1.7
135.04535	1.9
136.01675	1.5
136.98808	1.0
137.02473	0.9
138.03242	2.7
139.00398	2.3
139.04004	1.8
140.01202	2.5
141.01947	2.4
147.00845	0.6
151.00394	11.5
151.04025	0.8
152.01118	0.5
153.01941	1.9
159.10289	1.3
159.44069	0.5
161.02411	0.6
164.22357	0.5
165.01918	0.7
166.02727	42.9
167.03500	7.3
168.00632	5.1
169.01436	83.9
170.01753	2.0
174.51866	0.5
175.09714	0.5
177.02008	1.4
179.03510	1.1
181.05060	12.3
182.05554	0.5
183.02989	6.3
189.55830	0.5
193.01488	0.9
195.03041	0.6
197.04559	0.7
209.00801	0.6
211.02518	1.9
227.14613	0.6
229.12099	0.8
241.03517	1.6
245.15501	0.9
249.14973	2.4
253.03600	0.9
261.14816	0.8
263.16525	1.1
271.04654	1.1
273.14838	0.8
279.16037	2.8
299.16553	1.0
313.05673	49.3
314.05963	2.2
317.17542	2.0
319.18951	1.0
327.07214	7.8
329.08826	0.6
330.42331	0.7
345.20892	0.5
392.21347	1.4
434.24603	1.1
450.99466	0.8
451.12094	1.1
463.08737	1.4
477.28189	1.4
495.11398	100.0
495.29630	19.1
496.11887	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	495.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.9
58.47487	0.5
59.01392	4.4
67.01891	1.4
69.03459	1.7
71.01390	6.3
71.05010	1.4
71.41718	0.7
73.02954	2.5
79.01894	0.6
81.03474	2.3
83.01404	1.0
83.05035	8.2
85.02976	4.3
85.15551	0.4
86.69619	0.5
87.00913	0.9
87.04529	2.0
87.56656	0.6
89.02469	1.5
92.08848	0.5
93.03476	0.9
95.01405	2.0
95.05042	0.6
97.02981	1.6
97.06573	0.9
99.04547	1.6
101.02463	1.9
107.01401	8.6
107.05022	0.7
111.00912	1.5
111.04539	9.9
113.02461	1.8
113.06124	0.6
115.04040	1.0
115.07684	1.1
119.21407	0.5
121.06565	0.5
122.03757	1.0
123.00896	12.1
123.01753	0.9
123.04494	0.6
123.08183	0.8
124.01702	7.1
125.02467	49.2
126.02821	0.8
129.05592	5.4
136.98859	0.9
137.02432	1.1
139.00392	2.1
139.07668	0.6
140.01178	2.1
141.01955	2.1
145.08633	0.5
148.05322	13.1
149.06126	1.2
151.00401	8.4
151.04015	1.2
153.02080	0.5
159.10294	6.2
159.17975	0.5
163.07666	5.7
166.06364	2.7
167.07182	1.3
168.00613	3.7
169.01447	63.7
170.01793	1.6
175.09735	2.2
181.05246	0.6
181.08736	14.4
182.08990	0.7
183.02992	1.6
183.10306	1.3
195.03046	0.7
197.09770	1.8
211.02553	1.9
212.11729	0.5
213.12848	3.0
229.12329	0.8
231.13947	4.1
241.03630	1.0
249.14987	37.7
250.15292	1.3
253.03551	0.9
259.13467	0.5
261.14944	2.4
263.16693	0.7
275.16605	0.7
279.16046	1.7
286.56757	0.6
299.16525	3.0
301.18454	0.7
313.05688	21.0
314.06299	0.9
317.17584	6.3
319.50964	0.5
327.07330	1.4
335.18600	1.7
391.24887	2.3
435.27383	0.8
459.27570	0.9
477.28577	4.7
478.28937	0.7
495.15143	100.0
495.29752	15.9
496.15536	9.2
496.30023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23515	0.4
50.76904	0.4
57.03448	3.9
59.01384	5.1
59.68401	0.4
66.62759	0.4
67.01896	1.0
69.03456	1.4
69.12292	2.7
70.47540	0.4
71.01388	6.4
71.05019	0.6
72.02171	0.9
73.02950	9.3
79.01904	0.7
79.05531	0.6
81.03464	1.0
82.00600	0.7
83.01406	0.7
83.05032	27.7
85.02956	12.0
87.00880	1.6
87.04523	7.0
89.02450	1.4
95.01403	1.9
95.05041	4.0
96.96011	0.4
97.02961	1.6
97.06604	2.4
99.04545	2.5
101.02462	2.5
101.06095	3.5
107.01397	6.7
107.05034	1.2
109.02985	0.4
109.06592	0.9
111.00881	1.3
113.02457	1.2
113.06097	4.8
121.02985	3.5
121.06588	1.4
123.00902	13.0
123.04462	0.6
123.08112	0.4
124.01682	11.0
125.02457	40.9
125.06091	1.9
126.02785	1.2
127.00427	0.6
127.07682	1.1
131.07150	2.0
135.04535	0.8
136.98799	1.2
137.02486	0.8
137.06108	0.7
139.00383	2.2
139.04054	0.5
139.07678	4.7
140.01208	2.2
141.01971	2.1
145.08739	1.0
149.06026	0.7
151.00371	7.6
151.04091	0.7
153.01921	0.7
157.08693	0.8
161.04605	0.7
163.04013	0.4
165.05554	0.9
166.06369	18.2
167.07133	2.0
168.00642	3.6
169.01440	55.8
170.01872	2.2
170.03058	0.5
171.02008	0.5
173.08197	1.1
175.09770	50.6
176.10118	1.2
177.05624	0.5
179.03612	0.8
181.08722	5.9
183.03000	1.3
205.05255	0.5
211.02545	1.1
225.12811	0.5
231.13881	0.6
241.03549	1.2
245.15485	0.5
247.17075	0.7
249.15030	0.7
250.12071	0.5
253.03461	0.7
263.72464	0.5
267.14127	1.1
271.04623	0.7
273.14969	1.0
283.17010	1.2
285.15002	1.2
297.06189	1.5
299.16406	0.5
301.18054	4.8
308.12943	0.4
312.32571	0.5
313.05685	14.1
314.06174	0.7
315.06143	0.4
319.19128	6.7
327.07114	1.2
361.20184	1.3
385.23947	0.7
391.21426	0.6
391.32520	0.5
403.24744	1.0
441.26608	0.5
477.28577	1.2
495.15115	100.0
495.29709	69.0
496.15393	8.8
496.30139	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	495.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01371	4.6
61.61497	1.2
61.98838	9.1
67.47277	1.1
71.01376	2.6
73.02934	2.0
75.50814	1.4
84.21206	1.3
85.02953	2.6
101.02427	1.5
108.02207	3.1
109.02987	1.5
110.00105	2.4
111.00962	2.0
111.94235	1.2
121.03001	4.0
122.03725	5.2
122.04530	1.3
123.00894	6.1
123.04482	1.5
124.01675	5.3
125.02440	3.9
129.95972	1.4
136.01659	2.5
136.98769	1.6
137.02460	2.8
137.99611	3.6
139.00354	2.6
142.40514	1.4
145.02934	1.9
147.00815	1.7
149.02405	2.6
151.00359	5.0
162.03192	3.0
165.05568	1.5
168.00624	2.8
169.01416	4.7
170.03702	1.5
181.06531	1.5
187.04042	2.5
195.04489	1.8
196.05522	1.9
197.06114	4.2
209.06111	1.8
213.05588	5.1
217.15723	1.4
224.04755	5.8
225.05586	7.5
227.03409	1.9
239.03438	2.4
240.04221	3.6
241.05052	15.7
242.05917	2.8
252.04199	8.0
253.05051	15.5
254.05740	1.5
255.03084	3.6
255.06650	1.8
256.03668	2.4
256.07477	6.8
257.04529	4.9
259.06131	7.8
267.06693	2.6
268.07428	6.9
269.04587	7.3
271.06149	9.4
271.09387	1.8
272.06839	5.6
283.06119	2.8
284.07022	3.5
285.04034	3.8
286.08524	2.7
313.07169	2.0
314.08249	1.7
314.35306	1.6
324.33014	1.3
329.10294	3.8
333.09811	4.0
333.13443	2.0
343.10419	1.6
365.77625	1.5
385.06778	1.4
395.91525	1.5
402.07141	2.4
405.09833	5.4
415.11829	4.9
417.09799	22.1
418.09964	1.6
420.12088	6.1
432.12155	32.4
433.12384	3.9
435.14508	33.8
436.14944	2.7
447.14508	100.0
448.14981	8.2
465.15570	30.3
466.15863	3.7
477.15466	5.1
495.18027	8.8
495.29611	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	495.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.5
59.01393	1.5
61.98841	2.9
69.09740	1.7
69.10141	0.7
69.45632	0.3
71.01406	1.5
73.02975	0.5
73.59525	0.3
74.99135	0.5
75.87212	0.3
78.91899	0.4
85.02936	0.5
87.00895	0.7
87.04547	0.5
93.03471	1.6
99.00938	0.4
101.02477	1.0
108.02184	25.9
109.02534	0.6
111.00905	0.3
111.08239	0.3
113.02493	0.5
120.99742	0.4
121.02920	0.4
123.00936	0.5
123.04536	12.2
124.01671	1.0
125.02488	1.0
136.01688	1.0
137.02477	3.0
140.01227	0.5
145.02931	0.5
149.02505	1.7
150.02109	0.7
150.03218	5.0
151.04001	1.3
152.01169	48.5
153.01524	1.2
165.05595	6.5
166.42229	0.4
167.03510	100.0
168.00662	0.7
168.03836	2.2
169.01410	1.6
178.02008	0.4
185.11829	1.6
189.69067	0.4
193.79633	0.4
213.81821	0.3
227.41057	0.4
283.09595	0.7
300.99954	0.5
333.26450	0.6
344.25531	0.4
477.27429	0.4
495.19052	1.9
495.30606	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.7
56.82836	1.5
56.83118	1.4
57.03456	7.8
59.01383	88.3
59.79771	1.4
61.98827	4.3
62.49422	1.7
65.41476	1.5
69.03450	3.1
71.01387	56.4
71.05019	6.9
72.99317	11.6
73.02949	26.9
79.95755	5.1
81.53631	1.7
83.01392	18.7
85.02953	28.6
87.00893	4.4
89.02448	10.0
95.01382	5.7
95.05035	2.3
96.96016	5.4
97.02976	3.6
97.06595	5.4
99.00896	10.3
101.02457	52.1
103.04025	7.1
113.02464	23.8
119.03535	2.2
122.03730	3.8
123.04531	14.7
125.02441	8.5
129.01898	1.4
135.04501	2.0
143.03517	2.6
143.10681	2.4
149.02489	1.9
151.00493	1.7
153.05534	4.9
153.31960	1.5
159.02965	3.7
161.04584	21.7
163.06133	4.1
166.05115	7.7
167.03551	1.9
169.01306	2.4
247.08188	2.2
271.17001	1.9
289.16534	65.6
290.16827	3.5
334.16483	1.6
340.80582	1.5
433.29489	3.2
435.22379	100.0
436.22656	4.6
451.30542	3.7
454.18994	1.8
463.16437	1.8
495.19070	17.8
495.29733	48.2
496.20053	1.8
496.30124	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	495.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.6
59.01388	74.5
61.98837	59.8
69.45010	9.2
69.45381	17.5
71.01379	26.8
72.99318	6.1
73.02941	10.8
83.01413	15.0
85.02983	10.5
87.00884	7.6
89.02459	9.8
96.67551	4.2
96.96009	7.1
98.21914	9.7
101.02434	14.6
113.02474	6.2
119.03527	10.0
123.00909	5.8
123.04509	10.0
125.02459	10.0
130.78810	5.0
134.03769	4.9
135.04562	9.4
137.02437	4.9
137.09662	6.2
145.03061	7.0
151.00383	7.7
167.07170	10.7
169.01410	11.3
171.10260	6.3
175.00252	5.0
182.04681	10.5
193.70027	5.1
211.13484	11.9
213.82655	5.3
250.69635	4.3
292.39279	4.6
327.21783	48.2
381.23981	4.7
386.23978	5.2
435.22134	8.1
463.16193	4.8
495.18661	35.1
495.24826	100.0
496.20206	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	495.2606
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
59.01389	10.3
61.98830	0.5
64.20304	0.5
71.01393	5.2
73.02962	0.5
74.97942	0.5
82.42454	0.6
85.02959	2.2
88.67803	0.6
89.02462	2.1
101.02458	3.0
107.99120	0.5
109.56150	0.5
113.02467	1.6
119.03510	1.0
125.02448	0.8
167.03473	0.6
193.04521	0.5
207.72043	0.6
221.98070	0.6
229.16052	1.1
255.17503	1.2
257.19305	0.7
269.19144	2.8
271.17499	0.9
271.20694	6.4
287.20227	1.6
289.21783	0.7
315.19720	12.0
315.91611	0.6
316.19983	1.0
331.19043	1.0
333.20752	22.0
334.21036	1.6
381.26926	0.6
404.62814	0.6
495.26056	100.0
496.26361	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	Unknow
Peak:m/z	Relative Intensity
53.61075	0.4
57.03452	4.8
59.01385	1.9
67.05544	1.0
69.03465	1.0
69.64319	1.4
69.98560	0.3
71.01391	3.5
71.05030	1.2
72.02171	1.1
73.02955	15.7
75.13357	0.3
79.05544	0.5
80.52317	0.4
81.03475	0.8
82.95432	0.6
83.05035	53.8
84.05369	0.7
85.02965	17.2
87.00874	0.9
87.04523	18.8
90.40237	0.4
95.05039	6.4
96.02171	0.5
97.02960	0.6
97.06590	4.6
99.04517	4.1
101.06090	6.4
107.01413	1.1
107.05033	1.8
109.06596	1.0
109.96522	0.4
109.98169	0.4
111.04515	0.5
111.08151	1.1
113.06105	9.1
121.06603	1.9
123.00893	1.2
124.01680	1.4
124.05299	1.1
125.02460	6.0
125.06096	3.7
127.07689	1.5
131.07162	4.1
133.06638	0.5
137.06122	1.5
139.07671	9.2
140.01093	0.4
141.05589	0.4
145.08760	1.6
149.06133	0.5
151.00433	0.6
155.07158	0.8
157.08740	1.6
163.07669	0.9
165.01886	0.6
166.06360	2.3
169.01419	7.1
173.08208	1.7
173.09575	0.6
174.08939	0.8
175.09773	95.2
176.10110	2.5
181.08658	0.8
213.12779	0.6
221.09834	1.0
231.14000	0.9
233.09660	0.5
233.15578	1.3
245.15462	0.5
247.17177	0.5
249.15070	0.8
250.12141	1.1
251.12849	1.1
255.13968	0.6
257.15387	0.6
259.16937	0.4
265.15936	0.6
267.13910	1.7
273.14911	2.7
283.17120	2.2
285.15036	2.4
301.18091	6.1
313.05716	1.3
313.18164	0.5
319.19159	10.9
320.19421	0.7
327.19867	0.5
331.19012	1.5
343.19254	0.5
345.20700	0.6
347.18439	0.7
349.20032	0.6
361.20166	2.5
367.22787	0.8
373.20435	0.7
385.23734	1.7
391.21326	0.9
403.24796	2.0
407.24261	0.5
441.26740	0.5
459.27612	0.7
461.25571	0.6
477.28430	2.8
478.28571	0.5
479.26700	0.9
493.28473	0.6
495.15063	11.6
495.29688	100.0
496.15329	0.5
496.30020	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	495.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01374	1.0
62.86986	0.2
63.97628	0.2
69.03437	0.3
69.24480	1.5
71.01384	0.5
71.05011	0.4
73.02944	0.5
83.05038	0.7
85.02956	6.4
85.06599	0.2
87.04521	100.0
88.04846	1.1
95.05013	0.8
97.06605	1.1
99.04517	0.5
101.06069	0.5
107.05058	0.5
108.02185	0.7
109.02953	0.4
109.06629	0.3
115.07648	0.7
125.06087	1.0
135.08186	0.3
139.07664	1.2
149.06108	0.4
152.01212	0.6
154.39075	0.2
157.08791	0.3
169.01459	0.5
175.09805	1.7
198.96555	0.3
203.10722	0.3
213.12875	0.2
216.44206	0.3
221.09756	0.6
231.14003	0.4
233.15474	0.4
247.17036	0.5
249.14941	0.7
250.12091	0.5
251.12894	0.4
253.16042	0.2
255.13988	0.4
257.15390	0.3
263.16513	0.3
267.13846	0.5
271.13556	0.3
272.14188	0.3
273.14948	1.9
283.17078	1.1
285.14948	0.5
299.16443	0.2
301.18100	2.5
317.17603	1.0
319.19189	5.9
327.19742	0.3
329.17673	0.4
343.19196	0.5
345.20816	0.4
347.18991	0.3
361.20215	1.7
371.22339	0.5
373.20224	0.7
383.22098	0.4
389.23279	1.1
391.21243	1.9
401.23395	2.2
407.24487	3.2
408.24631	0.4
419.24393	2.4
459.27798	0.3
459.44193	0.3
477.28726	2.9
478.28903	0.3
495.11319	0.8
495.29691	46.9
496.30045	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88035	0.2
57.03178	0.2
57.03452	3.3
59.01385	1.4
59.41734	0.2
61.98820	0.5
62.00861	0.2
67.01904	0.2
69.03465	1.7
71.01384	1.9
71.05022	2.8
73.02953	3.8
75.00893	0.2
81.03463	0.3
83.05034	21.5
84.05350	0.3
85.02962	2.2
87.00881	0.5
87.04528	1.0
87.08144	0.7
89.02449	0.4
92.00068	0.2
95.05021	0.7
97.02965	1.0
97.06580	1.1
98.22649	0.3
98.71080	0.2
99.04527	1.3
101.06098	0.6
107.05041	0.4
109.02968	0.3
109.06596	0.6
110.03740	0.4
110.93053	0.2
111.04600	0.2
113.06092	0.4
115.07648	3.5
121.06600	0.6
122.03733	0.2
123.04539	0.6
123.08149	1.2
125.02475	0.2
125.06099	1.5
129.09230	0.4
135.08177	0.2
137.06027	0.4
139.07634	0.3
141.09244	0.6
149.06058	0.5
149.09566	0.2
153.05617	0.3
159.10281	13.5
160.10585	0.2
161.04611	0.2
163.07661	0.2
163.11334	0.6
169.01360	0.2
172.08946	0.2
173.06055	0.2
173.09732	0.7
175.07718	0.4
175.11372	0.4
177.09232	0.2
177.12834	0.3
178.62970	0.2
180.04175	0.2
185.09720	0.4
185.13339	0.8
187.07669	0.2
187.11327	0.2
189.09142	0.3
191.10811	1.0
193.12411	0.2
197.09738	0.2
198.10457	0.2
199.11275	0.9
200.08446	0.4
201.09264	0.5
201.12848	3.1
203.10591	0.2
203.14421	0.6
205.12323	0.3
209.09682	0.4
211.11263	0.4
213.09225	0.6
213.12863	1.2
214.10069	0.4
215.10880	0.2
217.12447	1.0
217.16081	0.2
219.13916	1.9
221.15439	0.3
225.12843	0.5
227.14418	3.0
228.11488	0.6
229.12331	5.5
229.15800	0.3
230.12737	0.3
231.13951	1.3
237.11256	0.3
241.12386	0.2
243.13867	1.8
245.15477	6.1
246.12657	0.3
246.15843	0.5
247.13388	2.5
249.14966	0.5
253.16003	0.3
255.13815	0.4
255.17528	0.2
255.76973	0.2
257.15396	0.4
257.17657	0.5
258.40396	0.2
259.13245	0.2
261.14911	0.8
263.16666	0.4
265.14575	0.2
267.17548	0.3
269.15329	0.3
271.13574	0.2
271.17108	0.8
273.14941	0.7
273.18292	0.4
275.16516	0.4
281.15411	0.8
283.13385	0.3
284.14093	0.3
287.16455	0.2
289.18173	0.6
299.16550	3.0
300.16986	0.2
301.14453	0.3
311.20261	0.6
317.17606	7.9
318.18002	0.6
319.19043	0.4
320.16312	0.5
335.18689	4.0
337.20377	0.3
345.21045	0.2
357.20764	0.7
361.23901	0.6
365.19659	0.2
369.24347	0.7
385.23904	0.3
387.25620	1.2
388.22263	0.2
389.23502	1.7
403.24731	0.8
405.26517	1.0
441.26495	0.5
443.23911	0.2
459.27667	1.2
477.28662	3.5
478.28677	0.3
479.26639	0.3
495.29669	100.0
496.30048	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	495.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.5
59.01390	4.7
61.98839	8.0
69.03460	1.5
69.38287	2.2
71.01385	2.1
71.05024	1.6
73.02954	4.3
83.01381	2.5
83.05050	4.9
84.02207	0.7
85.02963	12.1
87.04523	4.8
88.29018	0.5
89.02465	1.1
92.78864	0.7
95.05037	1.3
97.06590	2.0
99.00872	1.0
99.04512	0.7
101.06110	1.8
107.05054	1.1
109.06595	2.6
113.06078	1.5
114.91154	0.6
115.07659	1.2
121.06600	0.6
123.04550	0.7
123.08173	1.0
125.02486	0.9
125.06081	1.1
127.07674	1.2
133.06570	0.9
135.04518	1.9
135.08171	1.7
137.06096	1.8
139.07693	0.6
145.01488	4.3
145.08653	0.6
151.07602	3.1
159.10283	3.5
161.09769	0.9
163.11298	1.0
169.01440	1.5
173.09679	1.1
175.11310	1.1
177.09253	1.4
187.02509	1.7
187.07611	2.2
189.09196	1.0
191.10818	4.4
199.11308	0.8
201.05739	0.6
201.12839	2.9
202.06393	1.7
203.10818	2.1
205.03601	1.0
205.12421	0.8
209.11786	0.8
213.09389	0.6
213.12930	0.7
215.10770	1.0
219.13911	0.6
225.12921	1.1
227.10764	1.2
229.12350	1.7
231.10263	2.5
231.13899	2.2
233.15506	0.8
241.12315	1.7
243.13937	5.7
245.11812	1.4
246.12654	0.8
247.13441	2.0
248.10558	0.9
249.15012	2.1
255.13956	0.6
259.13379	4.1
261.14972	26.7
262.15256	1.8
263.12924	2.8
263.16406	1.3
265.14505	5.5
266.15030	0.7
273.15039	2.5
275.16656	2.1
277.14496	1.1
278.15155	0.7
279.16046	17.8
280.16376	0.6
283.13434	1.1
286.84528	0.6
287.16595	2.8
293.17642	3.0
295.76022	0.7
299.16522	1.6
300.99969	0.6
301.14490	1.6
305.17554	2.5
317.17593	5.8
325.18039	0.9
327.15942	0.8
333.17081	2.8
335.18817	4.7
343.19183	3.6
359.18732	1.7
361.20255	4.1
377.19818	1.7
379.21301	6.2
380.21896	0.7
438.62802	0.6
477.28568	1.7
495.29703	100.0
496.30127	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	495.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.2
57.62362	0.1
59.01384	1.1
65.38955	0.1
69.03465	1.7
71.01386	2.0
71.05027	3.1
72.02189	0.2
73.02953	3.6
75.00874	0.3
81.03464	0.4
83.05035	22.2
84.05373	0.4
85.02965	1.8
87.00890	0.4
87.04523	0.8
87.08167	0.8
89.02462	0.5
95.01403	0.2
95.05032	0.7
97.02953	1.0
97.06595	1.1
99.04532	1.5
101.06100	0.6
107.05035	0.5
109.06612	0.6
110.03764	0.4
111.04554	0.4
113.06042	0.2
115.07667	3.4
120.88712	0.1
121.06607	0.4
122.03762	0.2
123.04501	0.6
123.08186	1.3
125.02447	0.2
125.06101	2.1
129.09238	0.4
135.04509	0.2
135.08215	0.3
136.05267	0.2
137.06096	0.5
139.07657	0.3
140.25502	0.1
141.09245	1.0
145.08766	0.2
147.08131	0.3
149.06097	0.6
149.09698	0.2
151.07631	0.3
153.05545	0.2
157.08752	0.2
159.10287	15.1
160.10611	0.3
161.09761	0.1
163.11295	0.6
165.05644	0.2
165.09229	0.3
173.06125	0.2
173.09735	0.4
175.07651	0.3
175.11298	0.4
177.09247	0.3
177.12917	0.4
184.08954	0.2
185.09721	0.3
185.13376	0.6
186.06906	0.2
187.07642	0.2
187.11244	0.2
189.09215	0.2
191.10800	1.2
191.14432	0.2
193.12367	0.1
198.10532	0.4
199.11263	0.8
200.08470	0.3
201.09245	0.5
201.12859	3.5
202.13269	0.2
203.10780	0.4
203.14403	0.4
204.08025	0.2
205.12347	0.3
209.09781	0.3
210.10437	0.2
211.11325	0.6
212.12062	0.2
213.07449	0.2
213.09238	0.9
213.12843	1.2
214.09981	0.4
215.10837	0.2
217.12381	0.9
219.10352	0.1
219.13918	1.8
221.15414	0.2
225.12900	0.5
227.10866	0.3
227.14464	2.5
228.11571	0.5
229.12350	6.1
229.15982	0.3
230.12671	0.4
231.13928	0.9
241.12413	0.3
243.13913	2.4
244.14381	0.2
245.15486	6.4
246.12666	0.5
246.15758	0.4
247.13405	2.8
248.13692	0.1
249.15063	0.6
253.16031	0.2
255.13965	0.4
255.17747	0.2
257.15399	0.5
257.17734	0.4
261.15060	0.8
263.16684	0.3
265.14459	0.4
267.17529	0.2
269.15341	0.2
271.13931	0.2
271.17084	0.8
273.14944	0.5
273.18155	0.1
275.16559	0.3
281.15500	1.2
283.13495	0.3
283.16788	0.2
284.14169	0.4
289.18091	0.7
293.19370	0.2
299.16577	3.3
300.17068	0.3
301.14453	0.6
302.15265	0.2
311.20224	0.5
317.17624	4.8
317.21353	0.2
319.19171	0.3
320.16327	0.6
327.16269	0.1
335.18698	3.6
336.19012	0.3
337.20358	0.2
347.18719	0.3
355.22681	0.2
357.20908	0.2
361.19888	0.2
361.23889	0.6
363.81812	0.1
365.19803	0.2
369.24341	0.7
371.22253	0.5
373.24002	0.3
385.23767	0.4
387.25510	1.0
388.22211	0.2
389.23383	2.0
391.25323	0.2
403.24844	0.8
405.26526	1.3
407.20517	0.2
415.24530	0.2
421.26364	0.2
423.25549	0.2
441.26776	0.7
459.27692	1.2
460.28055	0.2
477.28564	4.0
478.28973	0.3
479.26718	0.3
495.29684	100.0
496.30014	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	495.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.0
59.01389	5.0
61.17272	0.4
61.98818	1.8
69.03458	0.9
71.01397	3.9
71.05031	2.2
71.05387	0.4
73.02943	1.9
75.00842	0.7
79.95744	1.8
80.96510	0.5
83.01389	1.3
83.04578	0.8
83.05031	8.6
85.02955	2.8
89.02438	1.3
89.96481	0.5
93.03482	0.6
95.01387	0.8
95.95229	0.6
96.39227	0.4
96.96023	2.6
97.06592	1.4
99.00877	1.7
99.04509	0.9
101.02453	1.2
107.01436	0.5
108.02161	1.0
109.02981	0.7
109.06578	0.6
111.04527	0.6
113.02463	0.9
113.06113	0.7
115.07663	1.7
121.02930	0.5
122.03765	3.0
123.00897	1.5
123.04543	6.1
123.08162	1.0
125.02453	1.1
125.06216	0.5
125.09729	0.8
129.09209	0.6
133.06587	1.9
135.04565	3.6
135.08186	1.6
137.02522	0.5
137.09746	6.8
139.11273	1.2
145.01468	3.7
149.02449	0.9
150.03239	1.8
151.03600	1.4
151.07634	0.7
152.03699	0.5
157.08778	0.6
159.10287	4.4
161.04590	1.2
163.07672	0.7
165.01877	0.5
165.05554	1.7
166.05893	1.1
166.96373	0.4
166.99940	0.7
167.06062	0.6
169.01442	1.6
177.12848	1.1
183.10297	6.1
183.13918	1.8
187.02534	0.6
195.10240	0.7
203.14488	0.9
205.03487	1.0
217.15953	1.0
231.10275	0.6
231.13893	0.9
239.14452	2.2
243.17722	0.6
245.15523	1.0
245.19188	1.0
249.14934	3.9
255.17480	2.6
257.15457	0.9
263.12961	0.8
263.16632	0.7
271.04562	1.2
271.17014	1.3
273.18604	1.0
277.14377	0.7
289.18188	0.6
291.19730	5.4
300.99875	0.7
304.30975	0.4
307.12106	0.8
313.13577	0.4
317.17596	0.9
335.18683	5.7
365.23605	2.0
379.21228	0.7
411.10370	0.5
457.03299	0.4
459.18576	0.6
459.26941	0.6
477.28827	2.9
495.19467	5.9
495.29688	100.0
496.19022	0.8
496.29987	9.8
520.51770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18842	0.8
59.01382	3.1
60.95451	0.8
61.98840	3.9
67.01889	1.2
71.01387	1.9
79.01901	1.2
83.01395	1.4
89.02446	1.1
95.01414	1.2
97.02946	1.0
101.02425	1.7
107.01413	2.4
123.00909	11.2
124.01658	4.9
125.02471	10.8
139.00378	1.4
140.01115	1.1
141.01982	1.0
151.00417	9.3
168.00711	3.3
169.01447	16.5
191.03619	1.0
191.21399	1.0
247.02563	1.0
313.05704	1.4
385.66940	1.0
432.16220	1.0
433.13553	100.0
434.13834	7.4
502.28738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01390	1.6
61.55413	0.4
61.98837	100.0
65.07226	0.3
69.18342	2.4
71.01399	1.1
73.02963	1.4
80.23891	0.3
81.03470	1.0
83.05028	2.1
85.02987	0.8
87.04530	0.7
89.02468	0.6
99.04547	1.6
107.01422	0.7
115.07691	0.4
123.00932	1.3
124.01723	0.8
125.02446	2.4
125.20971	0.4
151.00438	0.9
159.10324	0.9
169.01463	3.9
211.02583	0.5
229.12292	0.5
230.12643	0.6
249.15012	0.8
271.04715	0.9
279.16104	0.7
280.16464	0.8
300.99796	0.4
313.05801	1.1
317.17532	0.6
318.17886	0.6
413.07648	0.6
424.15671	0.4
439.12427	4.2
478.29117	0.5
495.29855	1.8
496.30072	11.6
497.16553	4.3
497.33408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47916	0.5
54.12721	0.5
59.01393	2.8
67.01885	1.2
69.03448	1.6
71.01390	5.2
73.02948	1.1
78.01118	0.5
79.01902	0.9
81.03456	1.7
83.01388	1.1
85.02940	1.5
86.34361	0.5
87.00888	1.1
89.02457	0.9
95.01383	2.1
97.02952	1.5
101.02441	2.0
107.01400	12.5
111.00867	2.0
113.02470	1.7
122.03670	0.5
123.00890	10.2
123.04518	2.5
124.00740	0.6
124.01673	18.1
125.02460	64.0
126.02800	1.9
127.00443	0.7
135.04538	5.1
136.98813	1.2
137.02530	0.7
139.00360	2.5
139.04070	3.2
139.44743	0.6
140.01192	2.7
141.01932	1.1
150.03252	0.9
151.00368	7.1
151.03923	0.8
153.01974	3.5
153.05611	1.1
154.02718	1.7
161.02620	0.7
167.03589	0.6
168.00676	11.8
168.04295	4.3
169.01442	76.7
169.05063	3.6
170.01833	1.9
179.03514	1.8
183.03012	16.9
183.06612	8.2
184.03299	0.8
193.01430	0.6
211.02504	1.8
223.02440	0.7
224.45883	0.5
234.40407	0.5
241.03535	2.3
271.04660	0.9
273.37350	0.6
297.06284	2.1
300.99896	1.0
313.05676	27.6
314.06058	2.3
327.07205	3.4
328.10645	1.1
345.08487	1.5
372.09427	1.6
497.13193	100.0
498.13684	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	497.1672
Annotation	Globulusin B
Peak:m/z	Relative Intensity
56.98801	0.5
59.01389	3.4
61.98835	4.6
68.85682	0.4
69.03467	3.8
69.33610	1.5
69.34019	1.1
71.01394	1.8
72.34265	0.4
73.02969	0.8
79.01910	0.9
81.03468	1.5
83.01395	1.6
85.02976	0.9
86.00928	0.4
87.00876	1.0
89.02456	0.7
91.20664	0.4
95.01394	1.6
96.96026	0.9
97.02982	4.0
101.02470	1.4
107.01398	2.8
108.02190	1.1
109.02972	2.3
110.92838	0.4
113.02450	0.9
123.00898	9.7
123.04549	1.3
124.01682	24.3
125.02461	61.3
126.02795	1.1
126.45325	0.5
134.03770	0.6
135.04584	2.2
136.01613	0.4
137.02470	3.2
137.52548	0.5
139.00436	0.6
139.03998	0.7
149.02490	0.5
149.99599	30.8
151.00418	4.4
151.04062	0.5
152.01079	0.6
153.01932	1.7
153.05643	0.4
154.02715	0.6
167.03537	1.5
168.00656	55.2
169.01448	22.0
169.05077	1.6
170.01796	0.9
179.03471	0.9
189.57922	0.5
191.03502	0.6
211.02492	1.8
261.07733	1.8
271.04593	2.0
275.01886	0.5
301.00012	0.7
313.05679	2.1
315.15903	1.2
331.06638	0.6
397.10446	0.6
403.10590	0.6
496.30115	0.8
497.16589	100.0
498.16910	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1672
Annotation	Globulusin B
Peak:m/z	Relative Intensity
55.41700	0.5
59.01387	1.3
61.98808	1.0
64.37608	0.5
68.49224	0.5
69.03469	2.2
71.01384	0.9
73.40031	0.5
81.03473	2.3
95.01398	1.0
96.96025	1.0
97.02944	1.6
106.47780	0.5
107.01390	0.9
121.02969	5.1
121.58867	0.6
123.00888	2.2
124.01685	8.6
125.02463	89.6
126.02799	2.0
136.25999	0.6
139.00366	0.6
151.04013	0.6
153.05614	0.7
157.43292	0.5
166.99913	1.9
167.03546	0.5
168.00677	10.4
169.01448	100.0
170.01770	2.4
211.02461	2.2
223.28923	0.5
271.04617	2.2
272.11438	0.7
297.70215	0.6
313.05725	3.3
331.06772	4.5
390.46625	0.7
496.30316	0.9
497.16678	71.4
498.17337	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	497.1667
Annotation	Globulusin B
Peak:m/z	Relative Intensity
54.46490	0.2
55.01885	0.5
57.03450	1.0
58.00599	0.6
59.01391	7.0
61.98839	1.8
65.00349	0.3
67.01891	1.8
69.03465	2.6
69.24886	1.4
71.01389	6.0
72.99311	0.5
73.02953	0.9
75.00874	0.4
77.73505	0.3
79.01889	2.1
81.03482	0.8
81.07101	0.3
83.01398	0.7
83.04974	0.3
85.02946	1.5
86.03763	0.5
89.02471	1.3
93.07114	1.0
95.01395	3.4
95.05056	0.3
96.96028	1.1
97.02964	1.2
98.21912	0.7
99.08188	0.5
101.02449	1.5
101.74097	0.3
107.01401	8.5
107.05028	0.4
108.01736	0.3
108.03040	0.3
109.02945	0.3
109.06610	1.4
111.00887	1.0
111.08163	0.9
113.02469	1.8
113.03136	0.3
116.27096	0.3
119.03516	0.3
119.05003	0.3
121.02966	0.3
123.00905	32.0
123.08163	0.8
124.01707	6.7
125.02464	34.4
125.06108	0.6
126.02813	0.7
127.00375	0.4
127.07668	5.4
135.04498	0.7
136.98853	0.4
137.02502	0.9
137.06111	3.2
139.00394	3.7
139.03999	0.4
139.11305	2.2
140.01152	1.4
141.01962	5.9
149.02467	0.5
151.00389	18.6
152.00639	0.5
153.01955	1.0
155.03555	0.3
155.07129	2.4
161.04588	0.4
163.04068	0.3
163.11336	0.4
165.01926	0.8
165.09271	0.6
166.99849	0.5
167.03482	1.3
168.00648	3.7
169.01442	58.0
170.01779	1.7
179.10788	0.3
181.01459	0.5
181.12166	0.3
183.03038	1.7
183.10284	3.4
191.03616	0.3
193.01442	1.4
197.11780	1.8
207.10353	0.3
211.02501	9.3
223.02544	0.5
225.11343	2.6
241.03613	0.5
253.03571	1.5
271.04660	0.7
313.05667	3.6
329.04965	0.3
335.11566	0.4
335.15295	0.5
405.93781	0.3
435.13019	7.6
437.14572	1.1
453.13965	0.3
497.16687	100.0
498.17038	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	497.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.7
58.09039	3.6
59.01381	74.0
66.17369	3.4
70.74234	4.1
71.01386	49.8
72.99314	10.2
73.02950	16.7
73.12862	3.2
78.49561	3.0
83.01392	23.9
83.05026	28.9
85.02966	15.3
87.00872	6.6
89.02461	14.4
93.03468	39.2
93.34483	3.2
95.01398	5.8
96.32862	3.4
99.00897	7.4
101.02443	29.1
109.02995	9.2
111.00899	26.8
111.04527	96.6
113.02466	15.6
119.03519	3.9
119.07155	7.2
121.02982	3.8
123.00906	4.2
125.02463	11.6
135.04529	8.5
137.02477	34.3
145.01334	4.4
145.02985	8.0
147.00914	3.8
147.04538	7.5
155.03511	66.1
159.03023	5.0
161.02472	7.7
161.04564	34.6
163.00391	7.8
163.04050	9.8
165.01945	9.0
169.01433	7.8
173.02437	3.8
173.04579	36.7
175.00537	4.1
177.01953	9.7
189.02011	7.5
190.02597	5.7
191.02017	4.5
191.03526	28.0
192.03792	4.3
202.99750	4.0
204.45216	4.0
209.00929	13.8
217.01491	13.3
219.03017	4.6
222.94414	4.2
229.01498	5.9
234.99364	6.8
235.02347	5.3
245.00981	13.5
247.02513	48.9
253.74651	3.8
261.00336	6.9
263.01248	6.6
270.98798	4.3
273.00424	25.3
276.69571	3.8
281.12445	100.0
282.12839	5.3
291.01486	5.6
298.98300	6.1
300.99881	17.8
336.49899	3.8
376.98801	13.1
381.07260	3.9
423.05774	6.2
424.06039	4.5
425.06406	25.0
453.06662	8.2
479.04883	7.3
497.05615	11.8
497.13223	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	497.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10674	0.8
59.01394	8.1
61.98820	1.6
65.23597	0.8
68.12605	0.8
69.39315	0.9
71.01378	4.5
72.99318	1.0
73.02954	1.7
79.01860	1.1
81.03464	0.9
85.02963	2.0
87.00920	0.9
89.02438	1.5
90.40327	0.9
95.01405	2.5
97.02984	1.1
101.02453	3.1
107.01405	6.0
111.00905	1.6
113.02460	1.5
121.02933	1.1
123.00900	16.3
123.04604	0.9
124.01699	12.2
125.02453	25.0
136.98907	1.1
139.00377	3.1
140.01176	3.3
141.01955	3.2
151.00394	8.7
153.01961	1.3
168.00642	7.5
169.01453	32.5
177.04076	3.1
211.02509	8.2
271.04614	5.7
313.05664	1.3
497.20386	100.0
498.20886	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	497.2026
Annotation	Brianodin D
Peak:m/z	Relative Intensity
51.02382	0.3
55.01875	0.7
56.58259	0.2
57.03445	0.8
57.97232	0.2
59.01382	2.9
64.53240	0.2
67.01895	1.0
69.03462	1.0
69.59869	0.5
69.60271	0.7
71.01389	4.6
72.99306	0.7
73.02959	1.7
75.00869	1.9
78.01117	0.6
78.71320	0.2
79.01897	1.0
81.03429	0.3
82.00622	0.4
83.01399	1.0
84.42630	0.3
85.02958	3.7
87.00883	0.6
89.02453	0.6
89.03087	0.2
95.01398	2.1
96.96049	0.3
97.02954	1.4
98.22664	0.4
99.00907	0.9
101.02465	2.5
107.01404	5.7
110.00166	0.4
111.00903	2.0
113.02464	2.1
123.00900	16.5
123.04655	0.3
124.01681	15.8
125.02462	28.4
126.02821	0.6
127.00400	0.7
129.01947	0.7
136.98866	1.1
139.00410	2.4
139.53920	0.2
140.01189	2.6
141.01961	3.2
149.02428	0.3
150.49998	0.2
151.00391	11.2
151.03896	0.4
152.00810	0.2
153.01956	0.7
155.48581	0.2
159.02998	0.6
167.03459	0.2
168.00665	4.9
169.01440	39.8
170.01773	0.8
177.02394	0.4
177.04068	6.2
179.03590	0.3
193.05154	0.3
211.02475	2.2
223.02643	0.3
241.03540	0.4
253.03651	0.3
266.11090	0.2
266.89151	0.2
268.91614	0.2
271.04642	2.0
288.87283	0.2
295.31531	0.2
297.06174	1.0
313.05768	2.4
314.06244	0.2
329.05164	1.9
371.09830	7.0
372.10004	0.3
405.27994	0.5
453.30078	0.7
497.20334	100.0
498.20673	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	497.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01369	1.5
61.98832	3.8
67.01922	0.5
69.03469	3.6
69.41989	2.4
71.01391	6.0
73.02962	1.0
81.03454	0.7
82.00621	1.2
82.95411	0.6
83.01388	1.0
85.02940	2.9
89.02459	1.1
93.03479	0.8
95.01377	1.0
97.02972	2.4
98.22606	1.0
99.00881	0.7
101.02457	4.2
103.80554	0.5
105.18771	0.5
107.01415	1.0
108.02232	0.5
109.02966	0.8
110.00103	4.2
111.00889	8.8
113.02460	4.1
123.00894	2.0
124.01665	3.5
125.02456	63.5
126.02789	1.3
137.02435	1.6
137.99615	4.2
139.00388	52.4
139.11304	9.5
140.01057	0.7
141.01936	0.7
151.00378	1.2
152.01147	0.7
153.01949	37.1
153.42943	0.6
154.02731	60.9
155.03207	1.7
161.04565	5.0
167.03506	2.0
168.00584	2.5
168.04298	8.3
169.01440	100.0
169.05070	73.2
170.01801	3.3
170.05450	1.7
183.03001	1.0
183.10275	31.6
184.10582	1.0
191.03325	0.5
211.02588	0.7
225.11292	0.7
313.09387	0.7
497.21069	10.9
498.20538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2032
Annotation	Brianodin D
Peak:m/z	Relative Intensity
55.01896	0.5
57.03456	1.2
59.01386	2.8
59.99331	0.4
67.01890	1.1
69.03452	1.0
70.12856	0.4
71.01387	4.8
72.99312	0.4
73.02950	1.1
73.24930	0.3
74.61993	0.3
78.01117	0.4
79.01917	1.1
81.03469	0.5
83.01401	1.2
85.02952	3.1
87.00944	0.4
95.01389	2.0
97.02959	1.3
99.00893	0.9
101.02438	2.5
104.18584	0.3
107.01405	9.9
111.00922	2.7
113.02474	1.5
122.76619	0.4
123.00004	0.7
123.00906	16.3
124.01695	11.1
125.02465	39.0
126.02824	0.6
127.00354	0.8
129.01974	0.5
136.98849	1.7
139.00397	3.7
140.01183	3.1
141.01959	3.2
151.00397	9.2
151.01564	0.7
153.01930	0.4
154.99834	0.4
166.99797	0.4
168.00648	4.9
169.01450	52.9
170.01788	1.4
177.04033	0.6
179.03558	0.5
197.10352	0.4
224.94398	0.4
290.35599	0.4
297.06021	0.4
306.15323	0.4
313.05722	3.2
329.05194	2.1
371.09860	3.8
465.59103	0.4
497.20340	100.0
498.20663	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	497.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.9
59.01373	17.6
61.98836	12.2
68.88512	3.1
69.03458	8.9
69.75219	11.4
71.01373	18.0
73.02953	8.7
73.13442	3.1
75.00890	5.5
77.78191	2.9
79.00298	3.7
80.91678	7.1
83.01407	6.5
83.09399	3.0
85.02963	12.4
89.02468	4.3
90.13771	3.8
95.01383	4.0
101.02435	17.1
105.20062	2.8
108.02184	27.6
109.02917	15.4
110.00056	4.7
111.00910	7.5
113.02469	14.9
123.00897	12.3
124.01684	16.9
125.02460	35.7
134.14029	3.3
139.00392	100.0
139.01427	6.4
139.11314	36.7
149.99660	5.6
151.00369	6.3
152.01176	29.6
153.01959	49.7
154.02744	83.5
155.10759	9.0
161.04622	22.0
165.05548	3.3
167.03506	18.6
168.00665	17.3
168.04289	9.1
169.01448	32.4
169.05084	96.3
170.05559	4.4
172.97787	3.3
183.10278	92.5
211.02477	5.2
246.85599	3.3
300.99939	5.2
313.09299	3.5
335.11447	8.5
497.16760	36.9
511.15948	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59692	1.6
51.99945	1.7
59.01125	2.1
59.01387	29.6
61.98835	15.2
67.01881	2.7
69.03448	6.0
71.01385	11.0
73.02948	3.3
79.01896	1.6
83.01405	2.5
85.02958	4.2
87.00852	2.6
87.04514	3.3
89.02445	2.0
91.90555	1.6
95.01407	4.5
96.95994	3.5
97.02952	3.8
101.02433	4.8
107.01396	17.2
107.42102	1.7
109.02958	3.1
109.06593	2.7
111.00871	2.6
113.02451	5.8
122.03736	4.1
123.00897	29.2
123.04539	5.5
124.01700	18.6
125.02460	76.5
127.07622	5.4
135.04523	9.5
137.02458	4.0
137.06058	2.6
139.00357	6.5
139.03949	2.2
139.11292	3.1
140.01166	2.7
141.01929	5.2
151.00421	12.8
151.03972	2.3
153.05629	1.7
155.07199	2.1
162.01216	1.8
167.03432	5.6
168.00641	11.9
169.01445	100.0
170.01756	3.1
179.03360	1.8
182.41101	1.6
183.02931	5.3
183.10191	4.9
185.11813	4.8
193.01445	4.4
211.02509	49.8
225.11310	1.7
231.10262	2.2
241.03522	4.2
271.04562	7.3
273.25525	1.6
275.01999	2.3
300.99847	4.4
313.05710	17.0
331.06750	2.5
335.11060	1.9
341.14752	2.2
431.14053	2.3
437.14117	3.1
497.16574	99.1
497.27127	9.4
498.16833	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	497.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
57.03442	2.9
59.01373	3.0
69.03446	0.8
69.85777	1.7
71.01385	1.0
73.02944	1.4
77.53707	0.7
79.91690	0.7
80.02671	1.7
81.03461	2.6
83.01391	1.5
83.05036	8.0
84.02180	1.0
95.05028	2.2
97.06590	9.2
101.02443	0.8
113.02495	0.6
123.08195	0.7
125.09748	1.5
135.08170	1.5
136.42502	0.8
144.90892	0.7
149.09772	1.0
151.11299	40.7
152.11646	1.0
163.11293	5.4
165.12848	2.6
169.12352	100.0
170.12711	3.2
171.10287	0.9
177.47336	1.0
181.92145	0.8
191.10748	1.4
195.10275	13.1
197.11803	1.0
199.13524	0.9
209.11842	90.3
210.12244	3.9
213.11333	23.3
227.10672	0.9
227.12907	16.6
254.41396	0.8
269.13922	3.3
287.15042	26.6
288.15240	1.4
361.23727	1.1
379.24966	1.9
429.66797	0.8
453.28909	1.7
455.26483	1.0
474.48267	0.7
479.26575	2.3
497.27698	35.4
498.28293	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	498.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48830	0.9
59.01391	5.7
61.98839	1.3
67.01907	1.0
69.81728	2.1
69.82079	1.2
71.01385	8.3
73.02959	1.3
78.31358	0.9
81.03490	1.2
82.95420	2.0
84.95125	1.3
85.02937	1.5
89.02480	1.0
95.01423	1.7
95.05042	2.5
97.02953	1.7
101.02461	1.9
107.01405	6.4
111.00854	1.8
112.04066	13.8
113.02460	2.2
121.02940	1.0
122.06170	1.1
123.00903	12.2
123.04490	0.8
124.01694	8.7
124.04070	9.9
125.02473	42.3
126.02831	3.8
126.05651	2.8
137.02455	1.5
138.03207	1.0
139.00412	3.4
140.01195	1.5
140.07188	4.4
141.02007	2.2
151.00378	8.4
153.01997	1.3
154.05109	4.2
166.05116	35.7
166.99794	1.2
167.05495	1.0
168.00655	5.7
169.01445	56.4
170.01830	4.9
182.08238	15.4
183.03017	2.8
183.08594	0.9
184.03433	1.6
184.06194	7.4
189.02007	1.2
197.04591	1.5
211.02495	13.1
212.02879	1.9
217.01433	1.0
226.07216	2.9
229.01421	1.2
241.03619	1.2
257.01166	0.9
258.53107	1.0
271.04593	12.4
275.02066	1.8
300.99887	4.0
313.05719	10.7
314.05997	1.8
346.11392	9.3
426.10684	4.0
438.07681	0.8
438.10748	1.4
454.13297	3.2
480.11542	15.7
481.12311	1.5
498.12656	100.0
499.12585	8.3
499.19287	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	498.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39106	0.8
52.79325	0.7
57.03455	0.9
59.01384	8.2
61.98832	11.7
71.01378	3.8
72.33739	0.7
73.02930	1.0
79.01894	0.9
85.02950	1.9
89.02446	1.9
95.01346	2.0
96.96019	1.5
97.02970	1.0
101.02442	3.1
105.96314	0.7
107.01417	4.4
111.00881	1.3
113.02448	2.5
123.00893	17.3
124.01720	10.8
125.02470	17.2
126.02805	2.6
139.00377	2.6
140.01193	2.1
141.01913	3.1
141.23050	0.8
145.02979	0.8
147.08237	0.8
151.00375	10.4
153.01863	1.1
168.00691	6.0
169.01436	27.5
170.01762	4.4
174.85846	0.8
179.37024	0.8
211.02441	5.8
223.02498	1.0
226.11559	0.8
271.04562	3.9
313.05392	1.4
435.12973	100.0
436.13181	7.4
484.44370	0.9
497.16867	1.2
498.16931	22.2
499.11609	1.1
499.18384	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	498.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01386	3.9
61.98835	100.0
62.98563	0.2
67.66048	0.2
70.32792	0.2
71.01395	1.3
73.02955	0.3
83.01411	0.4
85.02962	0.3
87.00941	0.3
89.02444	1.2
101.02446	1.1
113.02478	0.6
119.03537	0.4
120.37623	0.2
123.00910	0.4
123.04543	0.4
124.01712	0.3
125.02478	0.9
135.04526	0.4
153.05753	0.2
157.08743	0.2
163.02434	0.2
166.09135	0.2
168.00735	0.3
169.01450	0.7
170.01857	0.3
179.05652	0.2
190.97810	0.2
201.11398	0.3
202.01932	0.2
209.37755	0.2
255.11366	0.3
255.16225	0.2
261.77692	0.2
267.07809	0.2
286.22827	0.2
435.22470	2.0
466.19223	0.3
498.21005	2.6
499.21738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
59.01386	48.3
61.43526	1.1
61.98843	2.9
71.01384	10.1
71.41592	1.7
73.02930	4.4
83.01394	28.2
83.04985	1.5
85.02966	4.7
89.02457	5.6
95.01472	1.4
96.96005	5.5
97.06549	1.3
97.35803	1.3
99.00888	3.8
101.02477	4.1
109.02930	2.9
109.67785	1.3
109.83753	1.2
113.02457	2.8
117.01933	1.3
119.03467	1.5
123.00881	3.0
123.04519	2.3
125.02460	4.8
133.02942	4.8
135.04510	3.0
135.08142	1.4
141.67570	1.1
145.01433	13.0
146.03745	2.0
149.06001	1.3
151.00307	1.8
151.07628	2.4
158.03802	1.9
159.04535	14.2
160.02280	1.1
160.05038	1.5
161.02405	1.6
161.04623	1.6
163.02490	2.1
168.16881	1.1
168.47377	1.3
169.01477	7.5
169.06596	1.2
172.05310	8.3
173.06102	16.2
174.06750	2.1
175.07678	2.0
178.02676	1.3
180.86018	1.1
185.06105	6.0
187.02562	22.7
187.07658	86.2
188.08125	4.3
201.05591	21.7
201.09419	1.7
202.06381	51.3
202.11732	1.3
203.06940	2.8
203.10764	4.3
205.08635	3.7
209.11858	1.4
213.09335	3.0
213.42850	1.5
216.07954	5.7
225.11325	1.2
231.06796	18.3
231.10265	100.0
232.10583	4.8
257.08160	1.6
275.09293	41.2
276.09567	2.6
403.10193	3.2
455.15894	2.8
474.81516	1.5
481.17203	1.9
485.17566	1.2
496.27615	1.3
499.12247	3.7
499.21341	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	92.1
59.01382	100.0
59.08008	1.6
59.50610	1.6
61.98806	1.6
69.43014	7.8
71.01384	6.6
73.02957	2.5
74.88838	1.2
81.03464	3.3
83.01384	2.4
85.02959	9.1
89.02457	1.6
95.01398	1.8
96.96027	2.7
97.02942	1.9
99.04527	78.8
101.02451	19.4
102.48558	1.4
107.01400	2.3
113.02449	3.5
123.00891	6.8
124.01668	5.1
125.02463	45.3
129.01973	1.8
135.04509	3.5
141.01872	3.4
151.00351	4.7
152.01164	1.5
153.09169	2.7
168.00713	3.1
169.01453	13.5
205.12373	1.5
326.40082	1.8
347.17126	1.4
455.15405	4.2
499.18240	46.0
499.25470	2.8
500.18521	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	499.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26550	1.3
57.86243	1.2
59.01388	11.8
68.02522	3.2
69.48934	3.6
69.49320	2.8
71.01386	9.4
73.02941	1.6
79.15028	1.3
85.02980	2.5
87.00867	1.5
89.02460	4.9
91.43038	1.3
101.02464	6.1
104.61887	1.1
113.02470	4.1
113.35838	1.4
118.87761	1.2
119.03481	2.3
126.99581	100.0
127.77283	1.5
146.73964	1.4
156.79041	1.4
161.04559	5.9
166.09869	17.0
176.10796	1.2
249.11238	1.5
268.63156	1.5
499.30692	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	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.6
59.01381	4.2
61.98833	0.5
62.20016	0.3
62.98441	0.3
65.00329	0.5
67.01891	1.0
69.03453	1.1
69.42022	0.4
70.96698	0.3
71.01379	5.0
73.02946	1.8
75.00887	0.6
79.01899	1.2
79.86648	0.4
82.00609	0.5
83.01385	1.8
85.02959	3.0
87.00875	0.7
89.02416	0.9
95.01414	1.8
96.96044	0.6
97.02962	0.8
97.06592	0.4
97.91043	0.4
99.00876	0.8
101.02431	2.4
107.01386	3.6
109.03001	0.4
109.68129	0.3
111.00904	2.3
113.02457	1.9
113.67966	0.4
123.00900	14.3
123.04533	0.8
124.01681	16.4
125.02461	18.5
127.00386	1.3
135.04526	2.2
136.98813	1.8
137.02441	1.0
139.00378	3.7
139.03990	0.5
140.01170	3.6
141.01955	2.9
151.00388	8.9
151.03972	0.5
153.01909	0.6
160.88312	0.4
168.00652	9.6
169.01434	26.1
177.04039	1.2
179.03526	0.9
183.02988	0.6
209.03072	0.9
211.02486	3.2
253.03564	0.8
271.04581	3.2
275.01859	0.6
297.06216	0.7
300.99982	0.5
313.05563	1.9
329.05182	1.7
387.09229	0.6
411.12933	1.3
429.14096	1.2
499.18256	100.0
500.18597	8.5
500.29553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01387	5.3
61.98833	0.8
67.01886	0.9
69.03419	0.5
70.12753	0.8
70.13077	0.7
71.01395	3.5
73.02968	0.5
75.00853	0.5
76.52124	0.4
79.01919	0.5
83.01402	0.9
85.02965	1.2
89.02491	1.2
95.01394	2.1
96.38961	0.4
97.02959	1.4
101.02456	2.0
107.01405	4.6
111.00894	2.1
113.02467	1.1
123.00906	13.9
124.01692	13.2
125.02463	19.1
127.00384	0.7
127.84410	0.4
136.98837	1.2
137.02397	0.8
139.00409	3.0
140.01218	2.4
141.01929	2.1
148.70549	0.4
151.00397	9.1
153.02003	0.6
156.95627	0.4
167.03583	0.7
168.00641	7.5
169.01448	27.3
170.01741	0.6
177.04053	1.9
204.37592	0.5
211.02481	7.9
223.98581	0.6
242.94807	0.5
271.04648	7.9
297.06128	0.5
313.05655	1.5
329.05249	1.1
388.33456	0.5
434.80002	0.5
463.22009	1.3
499.18292	100.0
500.18686	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	499.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
57.03440	0.4
58.64221	0.3
59.01386	6.6
61.98824	0.8
65.68388	0.3
67.01910	0.8
69.03456	1.1
71.01389	4.4
72.99323	0.5
73.02957	1.8
78.01153	0.4
79.01908	1.7
81.03444	0.5
83.01409	1.2
85.02953	2.5
87.00877	0.8
89.02459	1.0
95.01392	1.9
96.95988	0.4
97.02962	1.0
98.21825	0.9
99.00856	0.5
101.02450	3.3
107.01394	4.4
111.00883	1.9
113.02433	1.9
119.04953	0.3
121.02899	0.4
123.00899	16.3
124.00858	0.6
124.01683	9.2
125.02459	20.8
126.02808	0.8
137.02428	0.4
138.01970	0.4
139.00369	2.4
140.01193	2.0
141.01968	2.9
145.02869	0.5
151.00380	10.2
153.01970	0.7
161.04553	0.4
168.00638	3.8
169.01436	25.6
170.01790	0.9
171.01955	0.5
179.03499	0.4
206.73868	0.4
209.04596	0.4
211.02512	2.5
271.04568	2.2
287.14386	0.3
301.03555	0.8
313.05634	2.1
436.13135	1.0
499.18231	100.0
500.11816	0.6
500.18622	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Rolapitant
Peak:m/z	Relative Intensity
53.24871	0.4
57.03450	0.3
59.01384	8.5
65.00307	0.3
67.01888	0.5
71.01377	4.6
72.61817	0.4
78.01127	0.3
79.01896	1.1
81.03489	0.4
82.00644	0.4
83.01373	0.7
85.02956	1.4
87.00887	0.6
89.02458	4.2
95.01405	2.2
97.02956	1.4
101.02449	3.4
107.01408	3.0
111.00864	1.1
113.02470	2.3
119.03524	1.9
123.00895	17.7
124.01676	8.5
125.02464	12.3
127.00396	0.6
136.98790	0.4
137.02461	0.5
139.00375	2.3
140.01161	1.1
141.01924	3.0
149.04605	0.4
151.00388	15.2
151.03914	0.5
153.01895	1.1
163.03958	0.5
166.99797	0.4
167.03510	0.3
167.10783	6.5
168.00648	3.4
169.01437	16.7
170.01768	0.5
185.11824	2.2
197.04553	1.0
211.02460	6.1
217.81010	0.3
241.03487	0.6
271.04568	4.4
299.12067	0.3
300.99820	0.3
313.05710	0.6
347.17154	4.9
363.31744	0.4
437.67764	0.4
452.33148	1.0
481.17035	1.1
499.18243	100.0
500.18619	9.4
500.26062	0.5
516.96985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1828
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.01885	0.4
57.03440	0.4
58.64221	0.3
59.01386	6.6
61.98824	0.8
65.68388	0.3
67.01910	0.8
69.03456	1.1
71.01389	4.4
72.99323	0.5
73.02957	1.8
78.01153	0.4
79.01908	1.7
81.03444	0.5
83.01409	1.2
85.02953	2.5
87.00877	0.8
89.02459	1.0
95.01392	1.9
96.95988	0.4
97.02962	1.0
98.21825	0.9
99.00856	0.5
101.02450	3.3
107.01394	4.4
111.00883	1.9
113.02433	1.9
119.04953	0.3
121.02899	0.4
123.00899	16.3
124.00858	0.6
124.01683	9.2
125.02459	20.8
126.02808	0.8
137.02428	0.4
138.01970	0.4
139.00369	2.4
140.01193	2.0
141.01968	2.9
145.02869	0.5
151.00380	10.2
153.01970	0.7
161.04553	0.4
168.00638	3.8
169.01436	25.6
170.01790	0.9
171.01955	0.5
179.03499	0.4
206.73868	0.4
209.04596	0.4
211.02512	2.5
271.04568	2.2
287.14386	0.3
301.03555	0.8
313.05634	2.1
436.13135	1.0
499.18231	100.0
500.11816	0.6
500.18622	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28089	3.6
59.01399	17.8
69.16367	3.6
69.37325	9.2
69.37729	9.8
71.01381	11.4
73.02941	5.4
87.00900	17.3
88.46037	3.4
89.02443	13.1
101.02464	10.6
113.02463	5.3
123.00900	14.6
124.01710	8.9
125.02442	19.3
131.10147	3.3
149.04556	16.2
151.00323	7.0
159.10303	3.8
168.00667	4.2
169.01399	28.1
170.33215	3.5
191.05560	5.8
209.11844	9.6
211.02449	5.7
217.65535	3.7
259.02933	4.1
271.04608	8.1
277.48746	4.1
279.02542	3.3
305.94714	4.0
358.72827	5.1
463.21768	37.8
464.22617	5.4
498.30603	12.5
499.18701	100.0
499.30432	15.5
500.19034	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	499.1961
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01381	5.5
61.98817	5.1
63.17112	3.5
66.78168	3.6
69.42442	15.0
71.01382	13.0
73.02959	5.5
85.02953	6.4
86.63258	3.3
87.00918	4.6
93.03464	6.6
99.04493	5.1
101.02437	11.4
107.01398	4.3
108.02171	15.6
113.02441	9.4
123.00891	11.1
124.01669	7.6
125.02510	18.1
137.02536	5.6
137.56537	3.6
151.00391	8.4
152.01164	36.0
154.95654	3.6
161.04486	4.6
169.01433	20.5
211.02461	4.7
248.48610	3.6
268.95041	3.9
331.17642	4.0
390.02835	4.8
399.09460	7.1
463.21866	51.7
464.22537	5.6
499.19229	100.0
500.19000	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	499.284
Annotation	Acremolide B
Peak:m/z	Relative Intensity
59.01390	25.2
61.98822	31.5
64.76567	4.8
69.28938	18.8
69.29337	11.2
71.01375	14.5
85.02994	7.1
89.02445	9.6
101.02434	11.7
107.01436	6.3
113.85913	4.7
118.96297	5.6
123.00907	21.9
124.34798	4.7
125.02465	18.7
139.19821	4.4
151.00432	8.4
169.01395	39.8
185.11815	9.9
211.02489	13.8
252.43137	5.3
271.04678	7.5
317.82138	4.9
347.17130	19.1
499.18134	98.0
499.28265	100.0
500.18976	10.9
500.28360	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	499.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31799	7.0
58.52586	6.7
59.01382	49.7
61.63142	7.1
69.18298	48.8
71.01383	9.1
77.05723	7.4
83.01400	31.7
101.02441	9.8
124.01685	12.2
125.02452	29.4
129.91591	7.3
145.01552	11.2
157.33487	8.7
168.00676	22.2
169.01297	22.3
172.05344	8.2
173.06091	12.6
187.02466	18.0
187.07658	100.0
188.08174	8.7
201.05577	25.7
202.06427	68.4
226.52951	7.5
231.10272	96.5
275.09351	46.0
380.12692	8.6
457.35825	8.9
499.17432	42.7
499.27960	74.7
500.28302	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	499.3064
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
59.24522	0.8
66.80920	0.7
98.21796	1.8
124.12735	0.9
321.71466	0.8
325.37784	0.9
339.68655	1.0
409.31268	41.0
410.31656	4.0
423.28912	1.8
425.30756	6.9
427.32220	19.2
428.32639	1.6
437.30746	6.9
453.30405	2.1
455.31711	8.3
481.29636	10.2
482.29965	1.7
489.77139	0.9
499.30692	100.0
500.30997	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	499.307
Annotation	Ganoderic acid beta
Peak:m/z	Relative Intensity
59.01382	3.0
73.02948	4.1
109.13853	2.8
132.10098	2.4
153.09200	5.6
163.35661	2.1
203.10735	6.5
219.13931	10.1
235.13341	3.8
237.14975	19.5
331.13083	2.2
437.30630	19.3
453.30359	5.4
499.30692	100.0
500.31027	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	499.3072
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
57.03463	1.4
58.00579	0.6
59.01379	1.2
59.57951	0.3
70.71502	0.3
71.01393	0.9
71.05016	1.0
73.02946	2.4
83.05033	0.8
85.02937	0.4
85.06619	0.6
97.06593	0.8
98.03748	0.4
101.00568	0.3
107.29867	0.2
109.70737	0.3
111.04514	0.4
123.08196	1.9
137.09749	0.5
189.12856	0.4
203.14447	0.5
217.16008	0.4
219.13850	0.3
285.22250	0.3
313.21722	0.7
363.26929	0.5
385.25735	0.4
389.24820	0.3
393.28012	0.5
396.66165	0.3
399.25439	1.1
403.26422	0.5
407.29529	0.9
409.31003	1.3
417.27988	0.5
419.29755	0.8
421.27628	0.7
435.29199	0.7
437.30728	2.8
438.30887	0.4
439.28494	1.5
453.30298	1.4
455.31699	5.1
456.32068	0.6
499.30704	100.0
500.31036	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	499.3073
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
52.00381	0.2
53.24019	0.2
53.81630	0.2
57.03429	0.6
59.01381	3.0
61.11190	0.2
63.79757	0.2
69.68195	0.6
71.01373	0.4
71.05030	3.2
83.05030	0.7
87.76034	0.2
97.06591	0.4
121.06615	1.4
123.00901	0.2
123.08169	1.6
137.09692	0.2
143.52605	0.2
163.11293	0.3
168.66211	0.2
179.10803	0.2
189.12871	0.7
232.99564	0.2
237.15044	0.7
255.17520	0.3
283.20569	0.3
299.20181	0.3
345.22739	0.2
351.23383	1.0
353.24811	0.4
381.28055	0.3
387.27054	0.3
389.28763	0.5
391.26407	1.7
399.25464	2.6
405.27969	2.5
407.29681	4.2
453.30182	3.8
454.30618	0.5
455.31564	0.5
469.29547	0.3
499.30701	100.0
500.31082	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	499.307
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
59.99075	0.8
64.77250	0.8
69.24094	3.4
69.24498	1.8
87.80210	0.8
90.81821	0.8
98.96632	0.8
233.11905	1.0
411.32709	10.4
437.30551	2.0
455.31689	100.0
456.32104	10.5
499.30576	12.7
500.31039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85275	1.3
57.40214	1.3
59.01385	80.7
61.98837	8.5
67.01901	4.9
69.03452	1.9
69.08056	1.3
69.18127	8.4
70.22071	1.2
71.01379	5.3
73.02928	1.7
80.91650	1.3
82.02983	4.5
85.02969	1.2
89.02443	2.1
94.02994	100.0
96.96037	1.6
97.02930	1.5
98.45554	1.2
101.02444	3.9
108.02183	2.1
123.00903	3.1
124.01575	1.6
125.02465	7.2
137.02469	1.3
139.11275	5.1
151.00444	1.6
152.01184	2.6
161.04559	3.6
169.01492	6.2
183.10292	32.7
185.01031	1.6
185.17368	1.3
187.20007	1.4
189.29591	1.1
249.59634	1.3
256.08221	3.2
285.30713	1.4
301.03439	1.8
302.03903	1.9
307.23544	1.3
327.14700	2.0
500.18375	9.8
500.27286	1.2
501.19437	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	500.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19407	4.3
59.01384	100.0
61.98847	10.2
71.01392	24.1
73.02961	12.8
73.28371	3.9
83.01402	4.7
83.05020	4.4
85.02969	8.2
89.02462	17.3
96.96030	7.7
99.00880	6.4
101.02444	13.1
113.02465	12.7
123.00913	7.9
124.01637	4.4
125.02484	14.4
134.38240	3.9
134.42929	4.3
135.04613	5.5
135.08224	4.7
136.08687	5.0
136.48039	3.9
137.02437	5.6
145.01421	10.4
161.04498	4.7
163.02690	3.7
169.01450	14.1
172.24124	3.8
222.23834	4.3
439.50464	4.7
452.67514	4.8
500.33102	12.5
501.23965	32.4
501.29956	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	501.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	80.0
69.74894	1.7
71.18875	0.5
91.98149	0.5
98.22597	0.9
132.98245	0.6
157.03571	3.0
159.01572	1.2
159.03191	0.4
165.71832	0.5
174.99261	25.9
201.02568	32.9
202.02785	1.8
217.00310	100.0
218.00703	1.6
266.46613	0.6
276.98364	0.8
292.96317	1.0
343.03671	1.4
359.01483	58.3
360.01782	3.9
379.62143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
72.42225	0.4
72.99290	0.8
78.88316	0.5
78.95911	1.7
87.00874	2.2
91.05548	1.1
93.03453	1.1
96.96947	0.6
106.04250	1.5
107.05036	10.6
109.02960	0.5
117.03446	0.6
121.02962	1.3
133.06610	5.3
135.04524	1.6
136.21942	0.5
149.06087	16.4
150.06421	0.6
151.03976	0.8
163.04073	0.7
177.05582	17.1
178.05849	0.7
179.03516	28.8
180.03770	0.8
183.03067	0.5
195.06715	2.5
201.01764	1.3
219.01495	2.1
221.04536	1.4
227.77037	0.6
233.62207	0.5
234.00217	0.7
239.05620	100.0
240.05957	3.5
261.03745	1.0
309.06085	0.6
357.08911	0.9
381.04672	2.1
441.07736	1.1
501.10226	8.7
502.11023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.0
60.68673	0.5
69.92038	1.0
69.92428	1.0
72.99318	4.2
77.42332	0.5
78.95912	0.7
87.00883	2.0
91.05549	3.3
93.03461	0.9
96.96021	1.3
98.22590	0.8
106.04229	1.2
107.05032	10.5
117.03490	0.6
119.05009	0.7
121.02951	1.6
123.00903	1.2
124.01581	0.6
125.02467	0.7
131.05009	1.1
133.06610	6.2
134.29091	0.6
135.04539	1.9
142.83418	0.5
149.06096	21.3
150.06462	0.5
158.45526	0.5
163.04037	1.9
166.99866	0.5
169.01419	1.3
177.05583	16.1
177.14481	0.6
178.06020	0.5
179.03514	22.3
193.04875	0.6
195.06636	2.5
205.09305	0.6
219.01468	1.4
221.04494	1.6
232.94801	0.5
234.00262	1.1
239.05627	100.0
240.05934	3.8
261.03882	1.3
275.02020	1.1
285.03943	1.0
300.99960	1.9
357.09030	0.7
365.04956	0.9
381.04672	1.0
390.52887	1.0
407.41327	0.6
420.02084	0.5
441.07263	1.1
483.08978	0.8
501.10019	7.6
501.16531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.4
69.37013	0.5
69.37387	0.5
71.01366	0.7
81.30035	0.2
84.93874	1.3
87.00877	0.3
87.42039	0.2
89.02440	0.3
97.97009	0.2
99.00887	0.3
99.92599	10.9
100.93377	11.2
101.02472	0.5
101.93381	0.4
103.00394	0.6
111.00891	5.1
115.92088	12.5
116.92875	100.0
117.92890	3.0
126.95008	0.3
128.92914	0.3
133.76730	0.2
140.92882	0.8
141.93694	0.5
142.94431	1.3
156.92368	0.4
158.93919	0.7
170.93916	0.3
173.00943	0.3
173.29179	0.2
173.92624	0.4
174.93419	0.3
184.91823	1.4
196.95474	0.5
198.93459	0.3
237.05904	0.3
259.96341	0.3
277.90912	0.2
329.29742	0.2
379.08633	0.7
397.09589	2.8
398.09952	0.4
415.10699	3.0
416.11264	0.3
427.10690	0.4
439.10580	1.3
457.11694	3.9
458.11969	0.3
465.08502	1.3
501.10764	10.1
501.32071	2.2
502.10907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
58.25159	0.5
59.01389	4.3
62.39228	0.4
69.21266	2.6
69.21619	0.5
71.01389	2.2
72.99329	0.6
73.02948	0.6
75.36324	0.4
85.02960	1.5
89.02454	1.3
95.01406	0.4
97.07927	0.4
99.00893	0.6
101.02470	1.0
101.06088	19.4
102.06422	0.6
107.01395	0.5
108.02188	55.1
109.02983	12.1
110.79784	0.4
113.02429	0.9
121.02983	1.1
123.00954	0.9
123.04534	0.5
125.02437	2.1
134.03740	0.7
134.91261	0.4
135.04518	0.8
136.01694	3.2
143.78371	0.4
145.02940	1.0
151.04018	4.8
152.01172	100.0
153.01837	3.4
158.54065	0.4
161.04594	0.6
163.04068	2.5
169.01421	1.7
176.47850	0.4
177.01958	0.4
179.03517	0.5
183.46233	0.4
194.06892	0.4
209.04617	0.4
225.11342	0.5
225.15010	0.7
238.76926	0.4
241.07256	0.8
275.01990	0.7
285.06198	0.8
299.99213	0.7
300.99869	1.1
357.13452	3.0
399.09320	15.2
400.09616	0.8
417.10388	3.8
479.61942	0.5
501.16162	87.3
502.16428	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	501.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03446	0.4
59.01385	8.0
67.01883	0.7
69.03469	1.0
69.24637	0.6
69.25043	1.3
71.01388	5.1
72.99313	0.4
73.02947	0.9
78.01158	0.4
79.01880	0.3
83.01411	0.9
85.02950	2.1
87.00893	0.5
89.02450	2.0
95.01402	2.6
97.02946	1.4
101.02448	3.2
107.01404	6.0
111.00885	1.0
113.02457	2.3
119.03503	0.7
122.39127	0.4
123.00906	17.5
124.01693	11.6
125.02465	21.0
126.02798	0.6
126.84443	0.4
133.02927	0.5
136.98796	1.0
137.02509	0.9
139.00371	3.4
140.01147	1.9
141.01971	3.2
151.00380	12.0
151.04218	0.3
153.01935	0.8
160.01530	0.4
161.02455	0.7
163.04083	0.5
168.00674	4.6
169.01443	29.7
170.01785	0.6
179.03499	0.9
181.05112	0.4
185.02391	0.4
189.01984	0.8
209.04655	0.4
211.02501	4.5
213.27927	0.4
223.02408	0.4
229.01448	1.0
231.02823	0.4
245.00893	0.5
245.33284	0.4
249.04105	0.6
253.03503	0.7
257.00940	1.0
261.00397	0.7
271.04620	4.6
275.02100	2.5
276.02246	0.4
292.53491	0.4
300.99777	1.7
313.00034	0.5
313.05557	2.5
392.62137	0.4
438.03320	0.7
452.03204	1.5
452.53192	0.5
501.19836	100.0
502.20139	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	501.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01386	5.2
61.98833	2.5
67.01895	0.8
69.03460	1.4
71.01382	5.1
72.99324	0.9
73.02940	0.9
75.00880	4.7
79.01910	0.6
79.21711	0.4
81.03475	0.5
83.01390	0.9
85.02966	3.3
88.98832	0.9
89.02453	1.2
93.03463	0.8
95.01390	1.4
96.96010	1.6
97.02959	1.9
99.00899	1.0
101.02460	2.7
107.01405	7.5
107.05044	0.7
111.00914	1.4
113.02444	1.2
115.04013	0.5
123.00902	11.8
124.01691	6.2
125.02462	38.3
126.02823	0.7
127.00344	0.5
129.01968	1.8
139.00410	2.0
140.01204	2.5
141.01944	2.3
151.00395	7.5
151.04010	0.7
159.03056	2.0
163.04080	0.7
165.01947	0.5
168.00717	3.0
169.01442	57.8
170.01825	1.8
177.04065	22.7
191.05580	2.0
211.02478	4.8
271.04660	2.0
275.01910	0.6
285.01093	0.4
286.04034	0.4
300.99969	1.2
313.05664	0.6
316.32266	0.5
327.09146	0.5
329.05173	8.7
341.03259	0.6
411.09189	0.9
443.15524	3.8
501.19861	100.0
502.20279	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	501.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91134	2.0
57.03444	3.4
59.01088	4.2
59.01384	74.4
67.01873	2.2
69.20165	12.1
71.01375	20.0
73.02952	7.4
83.01383	4.4
85.02955	8.0
87.00871	3.1
89.02454	7.9
93.97864	2.1
95.01419	4.5
97.02950	2.4
101.02438	13.6
107.01421	5.2
111.00876	3.8
113.02467	9.5
119.03522	3.5
119.05068	14.1
121.57494	2.2
123.00903	16.5
123.08096	2.7
124.01666	9.4
125.02448	26.7
127.07658	6.3
130.28967	2.1
135.04527	3.2
135.08179	3.2
137.06078	4.0
139.00397	4.2
141.01891	4.4
143.03459	2.4
151.00386	12.4
151.04008	3.8
155.07161	2.9
160.01726	5.5
161.04533	3.2
163.04013	15.9
168.00674	6.2
169.01453	30.2
175.04060	4.5
178.02733	2.0
183.10307	17.5
197.11850	16.9
201.54463	2.2
203.03455	2.8
211.02499	8.7
215.20551	2.2
225.11365	18.7
231.99631	2.2
243.12419	4.2
251.26535	2.3
257.01089	3.1
271.04620	11.9
275.02097	5.8
285.13388	3.2
299.99158	3.1
300.99863	7.5
312.99933	4.8
313.05792	3.5
337.09323	4.0
339.98642	3.3
345.15543	2.6
352.99448	7.3
391.02573	2.6
441.01047	3.8
461.02045	2.5
481.21823	2.5
483.19598	2.6
501.03638	14.1
501.19864	100.0
501.28046	7.0
502.20389	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	501.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18563	3.5
59.01384	100.0
69.72864	13.5
69.73199	4.4
71.01391	19.7
73.02946	19.2
83.01404	4.5
88.48407	3.5
89.02462	7.8
96.96030	7.2
101.02444	12.9
105.88982	4.0
113.02457	14.2
119.03522	6.6
122.85262	4.3
125.83661	4.5
130.97565	4.3
156.60420	4.3
161.04579	8.2
169.01462	5.7
175.38106	3.9
187.07707	16.5
198.18478	4.4
231.10399	10.3
236.51230	4.5
275.09543	4.9
501.20108	7.3
501.28647	5.7
518.42108	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	501.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01385	100.0
61.98836	2.3
67.01915	1.0
71.01391	3.1
73.02966	0.8
85.02956	1.0
87.00886	2.5
89.02466	2.2
95.59913	0.6
101.02460	2.2
111.00894	20.0
111.01675	1.2
113.02480	0.6
116.92923	0.6
119.03538	0.9
120.57906	0.5
123.08199	0.7
125.02409	0.8
135.41901	0.6
135.74280	0.5
161.04518	0.8
169.01541	0.7
173.00981	2.0
270.98788	0.7
298.98251	0.9
299.84641	0.7
299.99210	0.7
303.08423	0.6
327.63467	0.6
379.06921	0.6
399.24063	0.7
407.29791	1.3
425.30972	0.7
453.30017	0.9
455.31696	1.2
456.31934	1.3
457.32547	5.4
471.31097	3.4
500.43491	0.6
501.32367	67.2
502.32770	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	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01714	0.8
67.19833	0.5
70.28281	0.9
71.01397	1.5
73.02985	0.6
89.02458	1.1
91.26799	0.4
91.43866	0.4
98.21920	0.7
101.02513	0.7
102.35400	0.4
113.02476	1.2
237.14745	0.4
342.86276	0.6
381.22757	0.7
399.23993	1.2
439.31689	0.6
440.43015	0.5
441.24774	0.5
501.32202	21.1
502.32565	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02145	8.9
59.01368	34.9
61.98836	100.0
69.35471	14.1
69.35863	23.5
71.01376	28.9
78.91879	35.8
81.03458	8.6
85.02980	12.5
89.02448	17.9
93.03452	12.7
97.42762	8.5
101.02443	10.4
113.02427	9.8
123.00941	21.8
124.01665	16.7
125.02445	35.1
130.94571	7.3
136.92146	7.0
137.02531	9.7
151.00346	13.3
153.91101	8.4
168.00650	9.4
169.01421	44.0
173.04539	9.1
184.04492	7.6
247.61574	8.1
429.87109	8.0
448.16074	8.4
473.37543	7.5
501.19675	89.6
501.29230	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3227
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
51.79536	0.4
59.01384	14.2
60.67756	0.4
65.18811	0.4
69.08467	3.1
72.12357	0.5
73.02927	0.4
75.81441	0.3
97.06586	0.8
116.92868	3.3
119.08632	0.7
121.02997	0.5
123.08171	1.3
132.66190	0.4
142.94388	0.8
145.05956	0.4
174.32684	0.4
182.28796	0.5
203.14594	0.5
265.02835	0.4
332.13937	0.4
333.24527	1.2
357.26053	0.5
375.27490	0.7
391.30072	1.3
393.97189	0.5
401.27295	1.7
419.29718	0.7
423.28931	1.0
437.30688	1.5
439.32181	1.7
441.29980	1.8
455.31665	3.5
457.33221	8.5
458.33334	0.7
471.30640	0.5
501.32272	100.0
502.32635	11.7
502.39978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
73.02954	2.5
79.09247	2.8
81.50366	2.3
87.39937	2.0
108.15620	2.2
111.68603	2.3
483.31189	5.9
501.32254	100.0
502.32343	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	501.3227
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
50.32598	0.6
52.76355	0.7
67.36087	0.7
91.81522	0.7
99.81843	0.7
115.72657	0.9
154.83366	0.8
189.12816	1.6
217.50037	0.9
220.17097	0.8
373.31091	1.6
379.29929	1.0
413.34341	2.1
416.14447	0.8
419.31729	5.5
423.29050	20.9
424.29367	1.9
439.32196	20.5
440.32709	1.1
455.31693	1.9
457.33395	7.8
483.30774	1.4
501.32245	100.0
502.32556	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
53.03274	0.2
53.29396	0.3
56.05303	0.2
57.03453	0.4
59.01387	6.1
62.84803	0.3
71.01382	0.6
71.05026	2.7
79.58845	0.2
89.02451	0.4
101.02449	0.3
122.38624	0.3
144.73880	0.3
169.01312	0.3
223.13425	2.4
253.09291	0.3
285.75613	0.2
326.79263	0.2
335.23767	1.0
348.31857	0.3
381.33701	0.3
407.29483	1.4
409.31244	0.7
435.29160	0.6
453.30270	0.2
461.17480	0.3
471.31122	0.3
497.10867	0.3
501.32272	100.0
502.32629	10.5
502.40134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03444	1.6
58.47063	0.5
59.01385	20.8
61.98820	2.0
67.01891	1.7
69.43725	1.3
69.44121	2.1
71.01390	2.9
71.05035	0.7
73.02948	1.4
79.87298	0.5
85.02938	1.7
87.00886	6.1
89.02460	2.1
89.91891	0.5
97.06594	1.5
101.02445	1.8
111.00893	65.2
112.01222	0.9
113.02474	1.4
119.03511	1.4
123.08161	2.0
130.08707	0.6
145.01443	1.0
148.09892	0.5
156.80722	0.5
161.04575	0.9
163.02542	0.7
169.01367	1.4
173.00928	5.2
200.86777	0.5
205.12372	0.6
207.13895	0.9
209.11839	0.6
218.43913	0.6
223.13391	5.6
253.09346	0.9
301.21835	1.9
327.21777	1.0
354.72137	0.6
364.02475	0.6
380.50046	0.6
391.26566	1.6
393.28088	0.8
395.29852	0.6
401.26974	1.6
407.29596	1.5
409.27292	0.8
421.27435	0.7
423.29187	0.7
425.30753	3.0
437.30756	1.3
441.30148	1.4
455.31558	3.3
457.33374	6.1
458.33701	1.0
459.22736	0.7
471.31180	1.3
501.32288	100.0
502.32642	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	501.3228
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
53.28324	0.4
57.03437	0.6
58.65977	0.3
59.01386	2.8
71.01408	0.4
71.70982	0.4
73.47674	0.3
74.01124	0.3
76.80235	0.4
83.24689	0.3
99.92613	0.9
100.93378	1.7
106.32928	0.4
111.00878	0.7
115.92075	0.8
116.92877	8.7
198.78560	0.4
207.13698	0.5
208.85425	0.3
254.19855	0.3
255.55260	0.3
262.71988	0.4
326.90292	0.4
387.46420	0.3
393.28076	0.8
395.29581	0.6
401.27020	3.8
407.29724	0.9
423.29077	1.2
425.30676	1.5
435.28845	0.4
437.30762	0.7
455.31699	8.3
456.32211	0.6
457.11722	0.7
501.32266	100.0
502.32599	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
71.05020	1.4
87.04869	0.4
199.99023	0.3
391.30063	0.6
393.31894	0.9
411.32568	0.8
419.29510	0.5
421.31171	2.1
439.32339	2.0
441.30264	1.2
483.31186	11.1
484.31525	0.8
501.32260	100.0
502.32590	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	501.3228
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
55.13572	0.2
57.03445	1.1
59.01394	1.6
59.01636	0.3
59.17976	0.3
66.79604	0.3
71.01385	0.4
71.05014	1.1
73.02962	1.6
73.03332	0.4
75.71185	0.3
83.05051	0.5
97.02955	1.2
119.08667	0.3
127.48996	0.4
143.18100	0.3
333.22775	0.3
437.30600	0.9
441.30103	1.0
455.31677	3.9
456.31763	0.4
465.29340	0.3
483.31165	4.2
484.31818	0.5
501.32269	100.0
502.32608	9.4
519.03937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.01908	0.4
57.03445	1.1
59.01384	16.3
61.98836	0.6
71.01385	4.7
71.05023	1.5
73.02952	1.4
81.62945	0.3
82.36903	0.4
83.01395	0.6
83.05028	1.3
85.02951	1.3
87.00895	0.9
89.02459	3.3
92.57349	0.3
99.00896	0.6
99.04567	0.3
101.02458	3.1
103.19189	0.4
109.06586	0.4
113.02465	1.8
113.06106	0.4
115.00354	0.3
119.03497	0.9
122.62054	0.3
125.02437	0.5
129.00749	0.4
137.09738	0.5
139.07616	0.4
147.12108	0.3
149.04581	1.2
153.09256	1.0
161.04553	0.6
167.51294	0.3
169.01459	1.2
188.09286	0.4
219.13890	1.9
229.77644	0.4
237.14877	1.6
247.02393	0.4
300.99969	0.4
350.14603	0.6
363.23294	0.4
378.84308	0.4
383.25894	0.4
421.27753	0.6
437.30673	0.4
439.32532	0.6
457.15475	1.0
457.33221	1.9
483.16367	0.3
484.25699	0.4
501.32281	100.0
502.26398	1.4
502.32803	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	502.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	58.2
61.13819	17.5
61.98823	48.1
66.23341	15.2
71.44450	18.0
85.98978	17.1
125.02455	22.6
137.02533	19.4
169.01457	23.3
185.74588	20.3
281.58371	16.1
296.53183	17.8
298.88062	17.5
396.56894	19.1
500.15530	19.0
502.27890	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	503.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	36.4
61.98841	19.6
63.48027	7.9
71.01388	10.9
73.02959	7.7
101.02441	8.5
116.92867	7.8
121.02987	7.4
122.03759	15.0
123.00903	12.1
124.01671	34.7
136.01678	84.2
138.03313	7.0
139.04013	53.8
151.04018	100.0
161.04579	22.0
183.10281	68.1
196.55441	6.7
357.13391	81.6
398.66064	7.7
467.19431	14.9
503.33383	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	503.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03441	1.2
57.25399	0.4
59.01387	2.4
61.98819	0.4
68.96350	0.5
68.99825	3.6
69.03453	2.4
69.57824	0.7
69.58216	1.1
71.01382	2.9
73.02932	1.1
75.00885	0.9
83.01389	1.0
85.02959	4.5
87.00877	1.6
89.28322	0.5
95.01396	0.8
98.21976	1.0
99.00919	3.7
101.02431	1.2
105.74473	0.4
111.00898	1.7
112.98822	1.1
113.02460	3.3
113.99598	13.4
115.00391	4.6
121.61782	0.4
123.00949	0.6
125.02435	1.1
127.00352	2.8
129.01949	1.3
139.00330	0.8
139.11316	1.5
141.01938	1.1
157.01442	1.5
158.29959	0.5
169.01472	2.4
174.01714	10.4
175.02429	1.1
183.10201	3.1
183.32344	0.4
243.09274	0.6
250.33841	0.4
259.04654	0.7
271.04663	0.6
277.05649	2.1
304.88455	0.5
319.06815	0.5
329.99924	0.5
337.08099	0.8
363.55518	0.5
379.16721	0.4
389.47778	0.5
397.02069	0.6
443.09424	0.7
443.15643	9.3
502.37332	0.5
503.17752	100.0
504.18332	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	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13737	0.2
55.01884	0.4
57.03453	0.4
58.11108	0.2
59.01386	3.4
59.87557	0.3
65.00306	0.3
67.01897	0.4
68.99818	0.3
69.03460	0.7
71.01392	2.4
72.99323	0.4
73.02943	0.9
79.01890	0.8
81.03441	0.4
81.20866	0.2
82.00633	0.5
83.01395	0.6
85.02959	1.2
87.00883	0.4
89.02456	1.0
95.01404	1.5
97.02950	0.8
99.00865	0.4
101.02451	2.0
107.01402	3.2
111.00900	1.9
113.02463	0.9
114.00435	0.2
116.92834	0.4
118.98126	0.3
123.00900	13.6
123.92067	0.3
124.01678	8.5
125.02468	13.2
127.00374	0.8
136.98796	1.1
139.00395	2.3
140.01199	2.6
141.01973	2.5
142.05588	0.3
151.00385	11.4
151.03928	0.2
152.00789	0.2
153.01935	0.6
154.52303	0.3
154.99782	0.3
163.04056	0.4
168.00682	3.5
169.01447	18.2
170.01828	0.4
179.03561	0.5
181.05051	0.7
194.29257	0.3
209.04752	0.3
211.02547	1.0
219.03195	0.3
252.12178	0.3
253.03749	0.5
271.04633	1.2
313.05603	1.8
351.16733	0.5
422.99921	0.3
503.21429	100.0
504.21799	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	503.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
58.13084	0.4
59.01384	100.0
61.98841	1.6
69.03468	1.4
71.01382	3.3
71.42523	0.5
73.02962	1.3
75.00891	0.5
80.91666	0.4
85.02960	1.5
87.04543	0.7
89.02469	1.3
93.07082	0.8
94.02998	0.5
95.01409	0.5
97.06609	0.5
101.02444	2.4
109.06622	1.0
111.08189	1.0
112.85222	0.4
113.02481	1.4
119.03542	0.7
123.00976	0.4
123.08204	0.8
125.02474	0.6
125.06115	0.7
127.07674	5.2
136.99576	0.4
137.06107	3.3
139.11267	2.0
155.07169	3.2
161.04518	0.6
165.09293	1.1
169.01419	0.4
183.10291	14.7
197.11847	14.3
207.10367	1.1
225.11339	18.0
226.11743	0.6
255.12508	2.0
285.13464	1.8
334.18292	0.4
443.22678	0.7
503.19131	1.0
503.25134	6.7
503.30743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	3.2
59.01384	72.7
59.69461	2.6
61.98823	4.2
69.14921	15.0
71.01372	13.4
71.05016	4.6
73.02955	8.6
85.02935	4.2
87.00885	5.0
98.22620	5.7
101.02464	9.7
109.32915	2.9
113.02438	4.9
119.03548	3.3
121.02990	4.7
135.04486	2.7
136.01662	18.6
140.13892	3.0
143.44661	2.3
145.27693	2.4
148.42740	2.2
151.04034	23.1
161.04622	4.4
169.01474	3.5
183.10258	7.5
185.93057	2.6
187.00232	2.9
215.37181	3.1
269.62912	2.7
357.13443	21.0
358.13409	2.8
387.25525	3.3
399.23746	3.5
409.31171	5.3
441.29904	4.2
453.29669	4.8
457.73801	2.8
485.32999	5.9
503.18829	3.9
503.34332	100.0
504.34018	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	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20707	1.9
50.63730	2.1
57.03457	4.9
59.01385	100.0
61.98829	3.5
69.44019	6.5
69.44418	4.9
71.01389	21.0
71.05013	3.6
73.02937	7.6
81.43710	2.3
82.34570	2.3
83.01389	4.5
85.02960	7.0
87.00890	2.9
87.04544	2.6
89.02441	10.1
97.20589	2.1
99.00954	2.9
101.02467	12.6
103.32774	2.3
109.54638	2.0
113.02469	7.8
115.08421	2.2
119.03506	2.3
125.02454	3.8
135.04515	3.3
149.04538	2.5
161.04601	5.9
162.49176	2.4
172.60463	2.6
257.63110	2.4
346.45523	2.2
399.24188	14.1
400.24115	4.9
409.31393	2.1
417.25009	17.5
503.34225	71.7
504.34515	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	503.3386
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03443	1.5
57.63181	1.5
59.01374	1.5
59.76535	1.4
62.07537	1.6
88.24936	1.4
98.21837	2.3
153.15787	1.5
184.67964	1.6
313.11584	1.8
318.11829	1.8
383.29526	2.0
423.32602	2.4
441.33835	3.8
445.28467	1.7
485.32959	20.0
486.33243	1.7
503.33771	100.0
504.34445	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	503.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62223	5.1
52.35214	5.3
61.98817	6.0
85.81725	4.9
93.93702	5.8
96.66886	5.2
121.68462	5.4
153.40535	5.3
171.18539	5.9
345.07047	6.9
409.06915	5.9
423.32928	11.2
430.20856	5.2
446.29224	5.7
469.33328	100.0
503.33563	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	503.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	4.8
71.40929	4.8
87.62997	3.9
128.44821	3.3
159.81729	4.5
180.50491	4.1
216.30350	3.7
264.98752	4.1
405.95181	3.7
406.28827	8.7
423.32733	9.0
469.33167	100.0
469.39474	7.4
470.33688	6.4
503.33820	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	503.3385
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.67325	0.2
62.74286	0.2
69.80946	0.4
69.81310	0.4
77.64481	0.2
152.89278	0.2
160.84233	0.3
173.11436	0.2
375.26733	0.2
377.28555	0.8
379.29932	0.4
407.29440	1.3
455.32184	0.2
503.33823	100.0
504.34177	11.2
519.52411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03438	0.3
59.01382	0.6
61.98833	0.3
70.93810	0.5
71.05025	1.7
73.02949	1.0
83.05035	0.3
85.32871	0.2
160.84225	0.5
355.26559	0.6
367.26376	0.3
375.26828	0.3
377.28748	0.3
379.29871	0.6
391.30234	0.5
393.31927	0.4
401.28455	0.3
407.29590	1.1
409.31332	1.2
421.31433	1.6
423.28995	0.9
435.23447	0.3
435.29114	0.8
439.32156	0.5
443.31821	1.9
453.24036	0.5
453.30151	7.0
454.30270	0.5
459.34756	0.8
471.31299	0.7
485.32770	16.7
486.33148	1.6
503.33844	100.0
504.34186	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	503.3381
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.61699	0.4
55.76223	0.4
71.05035	1.0
98.21911	1.2
151.24631	0.4
171.76277	0.5
199.21750	0.5
226.32941	0.4
301.84641	0.4
401.28259	0.6
419.29715	0.7
421.30942	1.0
439.32315	0.9
441.33853	0.6
443.31522	1.0
459.34753	1.8
485.32758	14.3
486.33115	1.7
503.33841	100.0
504.34109	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	503.3383
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03450	1.5
59.01389	4.2
61.98835	0.6
71.01387	1.1
71.05029	1.2
71.42764	0.5
73.02957	0.4
80.96551	0.5
81.45643	0.4
85.02943	0.5
87.00856	0.4
87.87486	0.4
89.02436	0.7
97.02960	2.5
97.09682	0.4
99.00900	0.6
101.02457	0.8
106.98519	0.4
113.02489	0.6
115.92108	0.4
116.92885	1.3
117.92892	0.7
118.92691	1.6
121.02914	0.4
122.03779	0.4
123.75253	0.4
125.02404	0.5
145.01466	1.4
183.13879	0.7
197.48265	0.4
209.56566	0.4
209.61555	0.4
227.12880	0.5
309.51962	0.5
326.19922	0.4
357.26627	0.8
457.33459	0.5
460.27301	0.4
485.26801	0.4
485.32925	2.8
503.33862	100.0
504.34174	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	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
59.01383	5.4
61.98830	0.4
69.96726	0.3
71.01396	3.0
71.05019	0.4
73.02953	1.0
80.96513	0.5
83.01391	0.5
85.02948	1.1
87.00897	0.9
89.02458	2.1
95.01402	0.3
97.06606	0.3
99.00916	0.4
101.02455	2.0
113.02444	1.0
119.03583	0.6
125.02432	0.7
128.78256	0.3
131.03534	0.3
143.03491	0.5
161.04623	0.7
169.01431	0.3
172.96130	0.3
179.53181	0.3
182.79520	0.4
182.81148	0.3
201.40329	0.3
213.85234	0.4
223.13542	0.6
227.12807	0.5
371.20630	0.9
408.77396	0.3
411.68924	0.3
437.31000	0.3
439.31808	0.3
503.33838	100.0
504.26038	0.5
504.34146	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01383	3.3
61.98822	0.4
67.44180	0.2
67.62921	0.2
69.03484	0.2
69.43346	0.8
69.43745	0.4
70.86560	0.2
71.01390	1.2
71.05025	1.9
73.02946	0.8
78.91910	1.3
85.02953	0.6
89.02457	0.8
90.35116	0.2
95.01358	0.3
98.22591	0.3
101.02451	0.9
113.02438	0.5
125.02416	0.3
145.02980	0.3
161.04561	0.3
169.01463	0.3
188.03566	0.9
189.03877	1.0
262.05563	0.2
323.23788	0.3
347.23804	0.2
353.24881	1.6
365.24988	0.5
385.27536	0.7
409.31491	0.3
443.16934	0.3
453.30075	0.5
503.33850	100.0
504.34155	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03439	0.5
59.01367	0.5
62.32465	0.2
69.17307	1.6
77.50870	0.2
81.03461	0.3
83.05042	0.5
86.70816	0.3
161.04520	0.2
225.16087	0.5
371.21375	0.2
395.29916	0.5
407.29727	0.3
425.30685	1.4
427.32242	1.5
437.30746	0.5
439.32233	0.7
441.26456	1.4
467.32422	1.0
503.33838	100.0
504.34195	10.4
523.85156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22835	16.0
51.27217	11.8
55.91721	13.1
59.01380	18.1
61.98828	14.9
71.01393	16.1
71.38400	11.1
71.41698	15.2
75.90031	11.8
82.22088	12.0
91.46171	11.5
108.02198	65.0
109.02990	30.1
123.00878	11.1
125.02419	12.0
135.04466	14.0
152.01161	48.4
153.01918	26.1
169.01460	26.7
255.10280	25.1
285.06116	100.0
299.98795	14.7
300.99887	45.5
313.06128	13.0
313.53998	13.3
389.68646	12.1
488.73547	19.2
506.61407	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	504.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49097	0.9
55.76270	1.0
59.01384	5.3
61.98841	13.6
69.37161	3.3
71.01387	2.6
71.46380	1.1
73.02953	1.7
75.00892	2.5
85.02969	3.1
93.31277	1.0
95.01424	1.6
99.00895	1.2
101.02477	1.6
107.01399	4.2
107.08218	1.1
111.00905	1.2
123.00896	11.8
124.01678	8.3
124.81756	0.9
125.02464	17.1
130.32657	0.8
139.00444	2.3
140.01198	1.4
141.01929	2.2
151.00397	7.5
157.09958	0.8
159.03104	0.9
168.00656	3.8
169.01445	29.5
177.04103	5.5
191.98363	0.9
211.02531	1.2
222.79745	1.2
233.15472	1.6
329.05157	1.5
406.99515	1.1
425.66583	1.0
441.17676	100.0
442.17899	7.4
503.33786	38.0
504.34283	31.7
505.34363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73307	3.3
59.01380	11.6
61.98830	4.2
71.01385	4.1
72.04546	7.5
72.97532	3.1
74.14979	3.0
74.81578	3.3
78.68613	2.9
83.07813	2.8
87.00841	3.6
88.59790	2.8
91.09460	2.8
91.50393	3.6
95.01376	4.7
96.96025	3.5
108.02164	4.8
109.02948	10.0
115.00306	4.2
120.01287	4.2
123.00906	14.8
125.02479	17.3
125.41359	3.1
135.04568	7.1
136.04895	3.7
140.10786	4.2
142.12375	61.1
145.01450	5.1
168.10294	24.8
169.01416	22.2
170.11913	30.1
179.03526	5.0
179.07051	4.2
191.03639	4.9
214.10861	100.0
215.11302	3.4
215.58411	3.1
217.05099	3.2
226.06465	8.7
227.07164	11.0
229.01254	3.4
247.02577	4.2
249.04013	7.5
255.10283	56.2
273.00421	5.0
275.01959	16.4
278.41034	3.1
300.99844	7.9
302.26093	3.0
326.46616	3.8
342.03293	3.4
377.02914	10.1
378.03827	6.1
398.02390	6.5
442.03592	3.9
487.28964	3.4
504.14627	3.9
505.13608	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26736	11.6
53.23757	9.3
57.03461	21.2
59.01391	67.8
68.98846	11.3
71.01394	34.2
98.21817	24.6
101.02463	18.0
111.00838	13.8
145.01425	32.3
165.42416	12.5
262.11099	12.9
326.27634	12.2
345.24655	10.3
345.28702	14.3
358.26865	19.1
504.34207	100.0
505.34879	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	504.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40063	3.6
57.99777	3.9
59.01384	11.6
71.01421	4.4
78.54143	3.7
82.28521	4.0
83.05044	26.8
108.02204	6.3
152.01216	6.4
153.01509	6.2
159.10289	100.0
232.87560	5.4
249.12915	5.7
265.15894	6.1
267.14032	5.6
301.18085	55.5
329.14087	5.6
395.93179	4.5
416.77347	4.2
461.29062	59.8
462.29211	4.5
504.17273	18.5
504.30539	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	504.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	7.0
59.01380	59.4
60.01723	4.1
61.98835	63.5
63.33544	5.0
69.47610	18.0
71.01381	15.0
71.05015	5.8
73.02920	4.9
75.22513	4.1
83.05040	35.9
85.02953	12.0
89.02422	9.2
96.67714	4.4
99.66432	4.2
101.02480	9.7
115.07633	6.5
125.02427	6.2
148.02058	3.9
149.04541	4.0
154.50162	3.8
159.10284	100.0
167.07141	4.5
169.01451	10.8
183.10358	5.5
189.09845	3.9
270.61572	4.5
301.18155	19.4
350.26849	4.3
443.27911	9.4
461.29132	66.1
462.29730	6.5
504.20041	14.6
504.34811	6.7
511.49335	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	505.0993
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01381	1.0
63.02409	0.4
64.50300	0.3
65.00329	1.2
69.17162	1.7
71.01384	1.2
73.02943	0.7
82.05346	0.3
82.95108	0.3
83.01426	0.6
85.02950	0.4
88.61419	0.3
89.02473	0.3
91.01919	0.4
101.02425	0.8
107.01414	2.3
108.02194	2.2
109.02968	1.1
113.02436	0.4
121.02971	1.4
125.02468	0.4
135.00912	1.2
148.01688	1.9
151.00383	8.1
159.04529	0.4
161.04486	0.4
163.00372	2.2
164.01193	0.7
169.01411	0.6
169.36864	0.3
178.99883	4.5
183.04538	0.5
187.04077	0.4
198.03165	0.5
199.04001	0.9
209.00880	0.3
211.04001	1.2
215.03561	0.4
216.04347	0.5
226.02667	1.6
227.03516	2.8
228.04070	0.4
243.03026	10.7
243.05534	0.5
244.03511	0.9
245.04515	0.8
254.02254	2.1
255.03026	26.3
256.03391	1.1
271.02515	58.3
272.03030	4.1
273.04047	0.7
283.02438	1.0
299.02023	1.4
300.02780	100.0
301.03525	36.2
302.03830	1.3
343.04541	0.8
373.22144	0.5
463.08847	5.3
505.09940	62.5
506.10339	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	505.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85872	0.3
52.41024	0.3
69.15574	1.9
83.80726	0.3
90.22509	0.3
98.21804	0.3
100.64427	0.3
101.17611	0.3
104.35851	0.3
109.06612	0.3
121.02966	100.0
122.03317	2.6
158.00192	0.3
179.04999	0.3
180.05894	0.6
181.06609	3.7
195.65515	0.3
197.06064	3.2
199.07678	0.3
207.04581	1.0
207.08336	0.5
223.03989	0.4
223.13452	1.2
225.05614	2.0
238.33208	0.3
257.09775	0.8
285.09140	0.6
295.06061	0.5
313.07162	5.1
357.06326	0.9
373.10480	0.6
383.07758	1.0
413.23129	0.4
417.09818	10.8
418.10129	0.8
433.09470	0.4
461.12970	0.5
487.27304	0.5
504.33783	0.4
505.11319	7.4
505.28018	0.4
506.11938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24520	2.3
59.01383	100.0
61.98809	2.5
62.42893	1.9
69.03440	4.8
69.40788	10.9
71.01384	70.0
73.02935	6.4
83.01389	3.3
84.13580	2.4
85.02940	9.8
87.00857	3.8
87.81224	2.2
88.98824	4.7
89.02451	64.3
91.01900	9.2
93.03461	9.6
96.96017	7.7
97.02933	5.5
99.00861	6.0
101.02463	19.6
109.02947	3.5
113.02454	11.7
119.01395	4.4
119.03531	4.8
121.02939	9.0
123.00888	7.2
124.01668	3.6
125.02455	22.5
131.03482	16.8
131.67023	2.4
135.04558	12.5
137.02431	10.3
145.01407	6.1
145.50156	2.6
149.04568	20.3
151.02866	4.2
151.04025	64.6
160.03979	2.9
160.73978	2.1
161.02426	8.0
161.04494	5.6
162.42279	2.2
163.02504	5.6
163.03920	3.9
169.01501	10.8
176.04839	4.9
179.03481	15.1
179.05568	6.1
191.05615	2.3
194.05832	8.2
209.08177	21.0
233.06644	3.4
255.10182	3.8
293.08807	27.2
300.99860	5.8
397.82309	2.9
413.10880	3.2
425.82568	2.4
505.15790	7.1
505.22290	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.6
60.99599	0.7
61.98832	1.7
66.95916	2.7
71.01387	10.3
71.43502	1.0
73.02956	2.5
79.29688	0.8
80.91688	2.5
82.95424	100.0
84.00945	1.0
85.02943	2.0
85.14823	0.8
89.02451	14.8
93.03461	1.3
99.00893	1.1
99.92619	0.8
101.02446	6.7
113.02450	2.1
119.03502	1.7
123.00997	0.9
125.02448	1.0
131.03485	4.1
137.02446	2.6
149.04562	11.7
191.05586	3.6
255.05142	1.0
294.18958	0.9
373.15707	1.1
423.21280	2.2
423.90512	1.0
427.06607	1.0
505.19315	3.0
505.27072	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	505.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77981	0.5
59.01385	5.5
61.98839	1.4
71.01387	2.6
73.02955	1.1
77.75450	0.4
85.44820	0.5
89.02468	2.5
93.03464	0.7
98.22639	1.7
101.02444	0.7
109.02934	0.9
121.02973	1.2
134.03723	0.6
135.04526	4.0
137.02452	1.1
145.02950	4.9
146.03714	0.5
149.02498	0.8
149.04504	0.6
151.00417	0.9
159.04445	0.9
159.10355	0.5
169.01492	0.7
190.06406	0.5
197.06146	0.9
211.07648	0.9
222.97643	0.4
224.04797	0.8
225.05630	1.3
225.09230	1.3
235.07718	0.7
237.09329	0.6
238.06441	1.5
239.07166	5.0
249.05772	0.5
251.07019	0.6
252.07925	1.3
253.05176	2.4
253.08665	5.0
263.07101	1.9
264.07886	2.3
265.08716	2.0
266.05933	1.9
266.09296	0.6
267.03745	1.0
267.06647	20.2
267.09900	0.8
268.07318	3.5
278.09433	0.5
279.10312	1.4
280.07458	11.5
281.08188	17.7
281.11304	1.1
282.08627	1.3
284.10355	0.6
295.09769	16.4
296.10519	7.9
301.03629	1.7
310.08328	0.9
311.09518	0.8
311.12970	1.7
312.10129	1.1
322.08423	0.9
323.09244	2.7
325.07233	3.9
340.09543	38.8
341.09949	2.1
355.11887	100.0
356.12262	5.2
367.36707	0.5
505.18958	2.0
505.29868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.1
57.03438	0.5
59.01127	0.1
59.01386	1.8
59.81584	0.1
60.01745	0.2
61.98841	0.2
69.03455	0.3
69.09262	0.9
70.23756	0.1
71.01386	0.9
73.02940	0.3
81.03468	0.5
83.01373	0.3
85.02965	0.5
87.00862	0.2
89.02449	0.5
89.03975	2.1
93.03487	0.3
95.05006	0.2
95.67196	0.1
96.95982	0.3
99.00894	0.2
100.15857	0.1
101.02450	0.4
104.02689	0.5
105.03470	3.8
107.01424	0.2
109.06594	0.1
113.02441	0.4
115.00376	0.4
121.02913	0.3
123.04534	0.6
124.01642	0.2
125.02412	0.3
128.68158	0.1
133.01407	0.5
133.02966	9.2
134.03291	0.3
135.04482	0.2
137.02446	0.2
139.11275	0.2
148.01617	0.7
149.02489	1.2
153.05566	0.6
162.17570	0.1
165.05585	0.3
167.07051	0.2
176.01181	1.1
177.01939	100.0
178.02280	2.6
183.10284	0.3
201.14943	0.2
300.13516	0.2
339.07126	0.1
345.17163	0.2
359.27737	0.2
361.14255	0.1
361.29590	0.3
505.17215	10.6
505.33633	2.3
506.17624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1873
Annotation	(+)-Lariciresinol 9'-p-coumarate
Peak:m/z	Relative Intensity
50.08175	0.4
59.01371	0.6
61.98844	0.5
69.58163	0.6
69.58547	0.9
93.03448	0.7
119.05038	96.3
120.05370	2.0
137.09618	0.3
138.84221	0.3
145.02977	0.9
162.83986	1.0
163.04025	100.0
164.04370	2.0
164.83595	0.5
171.70869	0.3
210.06898	0.5
222.06821	0.6
224.04842	1.2
227.10753	0.4
238.06357	1.1
239.10782	0.6
251.07195	0.4
254.09523	0.4
255.10300	1.9
257.68567	0.4
266.05936	1.1
269.11902	1.0
270.12411	0.7
280.07236	0.5
283.09787	9.8
295.09656	1.7
296.10529	1.0
297.11319	0.5
298.12317	0.9
311.09280	22.3
312.09631	1.1
325.10873	1.0
326.11603	12.7
327.11942	0.7
341.13953	24.6
342.14450	1.1
505.18677	0.8
505.32016	0.4
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
53.02283	2.9
59.01388	100.0
61.98825	8.0
71.01392	59.3
72.66589	2.9
73.02583	3.5
73.02943	16.3
81.87705	2.9
83.01400	6.4
85.02980	11.8
87.00925	6.3
89.02455	66.8
95.01386	5.4
96.96018	5.9
97.02947	3.8
99.00901	3.0
101.02456	49.2
113.02460	28.4
119.03523	30.2
121.03008	4.5
123.00911	4.2
125.02455	12.7
131.03549	10.4
135.04532	6.4
143.03529	10.9
145.01425	6.1
159.03148	3.3
161.04602	20.8
163.02469	8.3
169.01447	11.4
179.03491	7.3
179.05617	77.4
196.17795	3.0
221.06766	14.8
275.01941	3.3
300.89862	3.9
326.81451	4.5
443.11990	7.3
445.17197	28.9
446.18115	5.3
472.09732	4.0
505.15619	18.0
505.22134	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	505.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	90.8
59.80996	1.1
69.54245	4.3
91.82037	1.1
98.21986	1.8
125.02508	2.2
126.16561	1.0
151.04012	3.1
161.02464	13.7
169.01439	2.1
176.04791	10.8
179.03517	24.7
179.05087	1.5
191.07164	4.2
194.05850	32.8
209.08200	100.0
210.08606	4.1
233.72224	1.3
313.52261	1.3
315.57074	1.2
443.11987	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83644	6.8
59.01383	100.0
61.98811	8.9
65.70992	8.6
68.28923	9.8
68.60204	7.7
69.45071	36.0
71.01395	44.9
73.02954	16.9
83.01423	10.5
85.02991	9.4
88.98833	14.2
89.02454	54.9
89.49830	8.1
94.69813	8.7
97.36704	7.9
99.00926	14.2
101.02434	32.4
111.04541	11.4
113.02415	12.3
125.02431	14.8
131.03519	12.4
135.82057	8.2
137.02443	10.5
143.03329	8.1
149.04549	41.4
155.03534	17.6
159.24519	9.1
161.04506	9.6
177.01907	11.6
191.05649	11.1
195.03026	11.4
209.11842	9.9
415.16779	11.3
504.34207	12.1
505.26361	25.5
505.32202	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	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
56.63671	0.7
59.01386	2.3
59.63034	0.7
66.81670	0.8
67.30490	0.7
69.80919	0.8
71.01377	1.0
78.95909	31.0
93.77773	0.7
95.26756	0.7
96.96964	2.5
120.79890	1.0
134.25436	0.9
152.99602	45.5
171.00606	2.0
227.03287	7.5
228.92473	0.8
230.62198	0.8
245.04321	1.6
277.21750	100.0
278.22079	7.4
413.21143	1.1
486.87576	1.0
505.25784	57.0
506.26279	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	505.3538
Annotation	Quadrangularic acid L
Peak:m/z	Relative Intensity
54.67288	1.3
57.03440	2.7
59.01380	1.9
62.30458	1.2
70.79205	1.1
73.02966	3.4
98.22733	1.9
101.02455	6.4
123.04848	1.2
138.06056	1.2
170.31413	1.3
172.08846	1.3
223.13380	1.4
357.27979	6.9
383.30161	1.3
385.31140	2.0
387.32700	100.0
388.32953	6.7
403.32175	22.5
404.32562	2.0
415.32132	1.9
417.33734	20.5
443.35297	62.3
444.35919	5.1
487.34518	1.8
505.35480	67.2
506.35605	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	505.3541
Annotation	Quadrangularic acid L
Peak:m/z	Relative Intensity
57.03426	0.8
58.00575	0.5
59.01348	1.6
71.01360	1.1
71.43901	0.6
73.02953	3.6
74.60810	0.4
96.96026	0.4
101.02452	5.7
133.85094	0.5
137.63527	0.3
143.74626	0.4
326.12079	0.4
339.23532	0.5
355.26520	0.6
357.28027	7.5
358.28110	0.5
383.29843	0.5
385.31107	1.5
387.32700	100.0
388.33011	9.5
397.31348	0.7
399.32535	1.1
403.32220	12.7
404.32715	0.6
415.31839	0.6
417.33786	11.4
418.34000	0.9
443.35306	44.7
444.35690	4.2
487.34335	1.4
505.35434	32.0
506.35724	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97012	1.0
54.34879	1.1
56.18182	1.0
58.00591	2.5
60.74231	1.0
66.80955	1.0
68.59180	0.9
69.10741	4.5
72.33836	1.0
73.02946	1.7
78.12197	0.9
79.77704	1.0
87.66275	1.0
95.61926	1.0
101.02449	2.5
167.18326	1.2
206.83960	1.0
250.36137	1.0
349.32343	1.0
357.27786	1.9
383.29596	1.1
385.31241	2.7
387.32742	33.9
388.33051	2.9
399.32663	1.2
403.32251	22.6
404.32419	1.6
415.32309	8.0
417.33795	100.0
418.34247	9.7
443.35431	16.2
449.32834	1.2
461.32703	2.7
505.35327	30.4
506.35638	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	505.3542
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03453	2.9
59.01374	0.9
60.65518	0.4
67.21166	0.4
67.40649	0.4
71.43575	0.4
75.67825	0.4
78.19833	0.4
79.99234	0.4
97.92490	0.3
106.09638	0.4
107.71506	0.4
113.19386	0.4
133.32616	0.4
138.06209	0.4
146.67918	0.4
346.38132	0.4
403.32318	1.4
412.91034	0.4
429.30002	0.7
435.15344	0.5
445.33475	2.5
447.31149	1.4
487.34030	1.2
505.35403	100.0
506.35785	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	506.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.1
61.98835	100.0
65.07077	0.3
70.81358	0.5
71.01378	3.1
73.02963	0.6
85.02959	1.0
85.49100	0.3
87.00888	0.5
89.02454	3.2
96.96011	2.0
99.04537	0.6
101.02471	2.2
108.54881	0.3
111.05228	0.3
113.02493	1.2
114.79016	0.4
119.03535	1.6
123.00939	0.4
124.01653	2.8
125.02507	0.3
135.04491	0.3
139.04045	1.9
140.41795	0.3
145.01549	0.4
161.04620	0.7
179.05682	1.2
179.10760	0.6
180.64172	0.4
187.11351	1.5
196.25108	0.3
210.20045	0.3
211.13396	3.4
211.15140	0.4
253.09212	0.5
263.12915	1.6
443.19168	0.7
505.35059	0.5
506.24960	0.5
506.32407	0.6
507.18796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
61.98846	11.1
69.32908	28.2
75.29922	5.2
83.05054	35.0
84.59856	5.2
91.90720	5.3
96.84977	5.4
104.66258	5.7
121.30641	5.9
137.91467	5.4
159.10301	59.8
181.05399	5.4
182.77361	4.8
246.88980	6.1
268.06952	7.2
281.07742	6.4
303.19586	13.2
340.09436	11.4
341.09769	15.9
355.12024	13.7
356.12195	64.9
463.30685	100.0
506.31421	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	506.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37053	2.5
51.68651	2.8
59.01389	12.5
61.98832	10.4
70.74205	3.6
71.01337	2.9
71.28799	2.9
79.17750	2.8
82.95418	13.3
84.95117	5.2
85.02961	12.0
89.02477	3.4
135.04549	17.4
159.10309	4.8
182.47081	3.3
204.82797	3.0
205.87245	3.1
245.15483	5.9
250.72609	3.4
263.16537	12.1
301.18240	7.0
319.19174	10.8
400.59082	3.1
463.30710	100.0
464.31122	6.8
507.33328	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	506.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98849	18.6
68.42509	19.0
69.23087	100.0
131.95457	20.5
137.02528	27.4
148.96722	17.6
170.78641	18.2
175.13467	18.2
189.05882	17.3
216.53326	21.7
238.49768	18.1
277.17770	19.7
330.52515	20.4
345.74695	20.3
365.47595	20.0
374.61530	18.9
463.30548	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.0
59.01382	7.6
61.98827	15.5
65.17331	3.5
67.21438	3.0
69.24062	14.7
71.01372	3.7
71.05061	3.9
73.02962	4.2
83.05035	35.6
115.07642	6.2
125.02431	5.2
159.10289	57.8
219.23756	3.9
243.40549	3.2
267.06601	6.3
268.07010	14.6
280.07278	4.8
281.07904	11.8
282.08600	13.0
295.09882	5.1
296.10123	13.8
297.10699	5.1
300.20496	4.4
303.19681	26.0
326.07626	4.0
340.09427	11.7
341.09943	28.5
355.11954	25.3
356.12259	88.2
384.93918	3.7
463.24200	5.6
463.30692	100.0
464.31308	7.5
464.53598	3.4
506.31204	8.3
507.27689	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1146
Annotation	Moghanin A
Peak:m/z	Relative Intensity
57.03440	1.4
59.01380	14.3
69.03460	2.4
71.01386	11.6
77.83590	1.3
83.01385	2.4
85.02962	3.5
87.00882	3.0
89.02472	9.0
89.14132	1.3
95.01447	1.5
97.02938	2.0
101.02460	5.2
107.01405	9.9
109.02956	1.5
113.02441	6.0
119.03461	2.8
120.99681	1.6
123.00888	12.3
124.01682	8.8
125.02463	61.3
126.02845	2.0
132.47508	1.3
134.03751	29.2
135.04581	2.7
136.01682	6.1
137.02454	3.3
139.00343	1.6
139.11302	4.3
140.01146	1.3
149.06110	10.0
151.00340	8.2
151.04022	9.9
168.00668	3.7
169.01440	82.7
175.07669	2.3
178.02737	16.9
179.03452	2.8
179.05670	2.3
183.02936	2.4
183.10260	10.6
193.05081	23.0
241.03769	1.7
279.06580	1.6
309.11188	1.4
313.05664	26.9
327.12390	6.0
341.10919	11.7
463.12494	14.1
489.10373	4.3
507.11539	100.0
508.11908	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	507.1148
Annotation	Moghanin A
Peak:m/z	Relative Intensity
52.54148	0.5
57.03448	0.6
59.01383	4.7
60.43217	0.5
65.00320	0.5
65.99119	0.5
69.03450	1.0
70.16738	1.0
70.17085	0.9
71.01387	7.0
73.02943	1.7
79.01859	0.5
81.03456	0.8
83.01432	0.7
85.02976	1.8
87.00840	1.0
89.02440	1.9
95.01403	1.1
97.02945	1.0
101.02446	2.8
106.04278	0.6
107.01401	9.2
111.00892	0.9
113.02457	2.1
117.29877	0.6
119.03494	0.6
120.99655	0.8
122.99376	0.5
123.00900	8.0
124.01698	5.6
125.02460	57.1
126.02810	1.5
127.00367	0.7
133.02954	0.7
134.03754	30.0
135.04608	2.9
136.24973	0.5
136.98787	0.7
137.02464	2.9
137.06064	0.9
139.00381	1.8
139.04039	0.9
139.11322	1.1
140.01178	1.3
141.01981	1.2
149.06097	7.8
151.00391	6.6
151.04086	0.5
153.02095	0.5
161.04562	2.1
165.01938	0.8
168.00616	3.1
169.01437	70.3
170.01801	2.2
178.02730	17.6
179.03484	3.6
179.05635	2.1
183.03000	1.1
183.10272	4.7
187.03932	0.7
192.00676	1.6
193.01453	3.8
193.03256	1.1
193.05077	23.4
194.05420	0.8
196.64365	0.5
197.11732	1.2
211.02464	1.5
225.11336	1.0
240.46809	0.5
241.03479	1.3
253.03474	1.1
255.85493	0.5
271.04517	0.7
300.99796	0.5
312.10043	1.1
313.05667	47.9
314.06097	2.4
315.12500	1.1
323.09879	1.4
327.07257	0.9
327.12415	2.0
341.10858	3.1
345.13403	1.2
355.06635	1.4
367.11197	0.5
463.12448	2.8
507.11481	100.0
508.11789	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.2
59.01385	76.4
62.11713	1.7
69.03456	5.2
69.72445	6.6
71.01391	66.4
72.99300	1.8
73.02938	11.0
75.00898	2.2
81.03468	4.1
83.01398	6.1
85.02950	10.8
87.00879	4.8
89.02452	84.7
90.02831	2.2
90.89599	1.9
93.03474	1.7
97.02963	10.1
98.21882	1.9
99.00894	16.3
101.02477	12.5
111.00860	3.2
113.02473	10.3
115.04066	8.2
119.03530	2.5
121.02950	2.8
122.03770	3.3
125.02462	47.8
126.02828	1.9
131.03520	12.5
141.01965	4.0
143.03552	4.1
145.03053	2.2
149.02541	3.9
149.04568	13.6
150.03238	46.3
161.02440	2.0
161.04579	2.2
162.03235	2.5
165.05600	23.5
169.01485	2.1
177.05666	2.4
180.04283	5.7
191.05583	10.6
195.06644	25.5
233.06686	38.7
257.01157	1.6
271.04614	4.1
293.08804	100.0
294.09177	3.3
296.23734	1.6
301.00012	10.6
306.84647	1.7
373.07739	2.0
459.15170	18.7
487.36203	1.8
489.16284	3.0
507.17206	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	507.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.6
61.98845	1.7
69.03448	0.5
69.94518	0.7
69.94846	0.4
71.01395	1.7
73.02963	1.4
75.00871	0.4
85.02968	0.9
89.02462	0.9
101.02457	1.2
106.04258	0.3
107.05029	1.1
108.02206	0.4
109.02941	1.3
113.02435	0.7
120.99693	2.0
123.00870	0.4
123.08205	0.3
125.02442	0.6
129.09277	0.3
133.02943	0.6
134.03769	3.3
135.04536	100.0
136.04854	2.9
139.03972	0.4
149.65582	0.3
152.01123	0.6
153.01898	0.7
161.02414	0.4
177.01901	0.5
177.05547	0.4
178.02757	0.3
179.03510	96.4
180.03857	2.8
183.10306	0.4
185.06003	0.3
195.02957	1.0
196.03227	0.4
197.03593	0.5
255.05103	1.3
256.05402	1.2
257.05704	1.5
257.11499	0.4
263.16592	0.6
273.14835	0.3
291.12247	0.4
291.33710	0.4
301.18054	0.7
323.07837	0.5
341.08969	0.7
389.25565	0.4
507.18594	11.8
507.27490	3.1
508.18988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21785	0.1
57.03447	0.6
59.01385	3.5
61.98845	0.4
65.53667	0.2
69.13667	0.5
69.14084	0.6
71.01392	2.1
71.05028	0.2
73.02970	0.9
81.03473	0.2
81.75066	0.1
83.01410	0.2
83.04990	0.2
84.14114	0.2
84.65683	0.2
85.02960	0.8
87.04517	1.0
89.02457	1.5
89.03997	0.2
92.50986	0.2
93.03474	0.2
95.01401	0.3
97.06593	0.3
99.04532	0.2
101.02464	1.2
106.04284	0.2
107.05054	1.1
109.03039	0.2
111.08157	0.3
113.02480	0.7
115.07645	0.2
117.03473	0.3
119.03535	0.5
119.05043	0.6
120.94332	0.2
123.00898	0.2
125.02484	0.4
127.04065	0.2
134.03770	3.5
135.04544	100.0
136.04872	2.5
139.07687	0.2
153.01978	0.2
159.10289	1.0
161.04578	0.2
163.04056	0.5
165.12862	0.6
169.01437	0.3
173.11803	0.2
179.03540	0.8
183.10329	0.5
183.13924	3.2
197.15553	0.5
227.12943	0.3
233.15575	0.3
245.15469	1.3
249.14972	0.3
263.16589	2.1
297.12082	1.1
301.18002	0.3
317.17694	0.2
361.20297	0.3
390.43939	0.2
449.29184	0.6
464.31583	0.2
465.32898	0.2
507.12610	0.2
507.24570	4.9
507.33163	2.6
508.25235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
58.04630	0.2
59.01385	3.6
61.43169	0.2
61.98831	0.3
62.51448	0.1
65.08215	0.2
69.03452	0.5
71.01397	1.0
71.41660	0.2
73.02950	0.3
75.00845	0.2
76.21368	0.2
79.57739	0.2
83.16787	0.1
85.02952	0.5
89.02448	0.3
89.03971	0.4
89.11797	0.2
91.05518	0.2
93.03512	0.3
101.02448	0.5
105.03486	0.3
106.04262	0.3
107.05035	3.8
111.04465	0.1
111.08160	0.3
113.02464	0.4
117.03508	0.5
119.05042	0.2
121.02944	0.2
123.00872	0.4
123.04568	0.4
124.01656	0.2
125.02442	0.3
127.07725	0.2
133.02956	1.2
134.03767	3.6
135.04541	100.0
136.04861	2.5
137.02464	0.2
137.06075	0.3
139.04073	0.3
139.11305	0.7
149.06020	0.3
151.03983	1.1
153.05589	0.5
161.02458	1.5
161.04567	0.3
165.12958	0.2
167.07085	0.2
169.01352	0.3
173.06068	0.2
177.01955	4.5
177.05623	0.2
178.02321	2.8
179.03589	8.8
180.03816	0.2
183.10283	1.7
187.13339	0.2
199.13297	0.2
247.17044	1.4
301.18152	1.1
323.07675	0.4
341.08740	0.4
371.14697	0.2
479.00150	0.2
507.19046	3.7
507.26743	0.2
507.33432	0.9
508.18829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.6
61.98845	1.7
69.03448	0.5
69.94518	0.7
69.94846	0.4
71.01395	1.7
73.02963	1.4
75.00871	0.4
85.02968	0.9
89.02462	0.9
101.02457	1.2
106.04258	0.3
107.05029	1.1
108.02206	0.4
109.02941	1.3
113.02435	0.7
120.99693	2.0
123.00870	0.4
123.08205	0.3
125.02442	0.6
129.09277	0.3
133.02943	0.6
134.03769	3.3
135.04536	100.0
136.04854	2.9
139.03972	0.4
149.65582	0.3
152.01123	0.6
153.01898	0.7
161.02414	0.4
177.01901	0.5
177.05547	0.4
178.02757	0.3
179.03510	96.4
180.03857	2.8
183.10306	0.4
185.06003	0.3
195.02957	1.0
196.03227	0.4
197.03593	0.5
255.05103	1.3
256.05402	1.2
257.05704	1.5
257.11499	0.4
263.16592	0.6
273.14835	0.3
291.12247	0.4
291.33710	0.4
301.18054	0.7
323.07837	0.5
341.08969	0.7
389.25565	0.4
507.18594	11.8
507.27490	3.1
508.18988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26215	1.1
55.01855	1.2
57.03443	8.6
58.00592	2.7
59.01385	46.1
67.91216	1.0
69.03463	13.1
69.11327	6.8
71.01390	33.7
71.05019	3.0
72.99306	1.4
73.02943	4.8
75.00874	1.6
81.03486	1.6
83.01392	3.1
85.02955	11.0
87.00883	10.2
87.04514	1.9
89.02454	29.7
89.03018	1.6
93.07123	1.7
95.01387	2.8
96.96037	2.2
97.02988	2.1
99.00909	4.5
99.08170	1.4
101.02457	20.1
107.01398	2.3
109.06615	3.5
111.00915	1.6
111.08169	2.5
113.02457	18.5
115.04005	1.1
119.03513	15.0
120.99705	1.1
123.00894	4.0
123.08202	1.9
124.01651	2.8
125.02463	28.2
125.06074	1.8
127.07658	11.2
133.81259	1.1
134.03755	10.5
135.04520	1.6
137.06110	9.0
139.11298	24.6
140.01198	1.4
141.01933	2.6
143.03514	12.6
145.34047	1.1
149.06104	3.0
151.00380	2.9
155.07169	5.9
161.02513	1.6
161.04567	26.4
165.09218	1.9
168.00635	1.7
169.01442	22.0
178.02693	5.4
179.03404	1.9
179.05629	38.8
183.10278	100.0
184.10640	3.4
193.01538	1.3
193.05066	5.8
197.11847	26.8
203.05644	5.1
207.10338	1.5
211.02600	1.2
221.06664	2.8
225.11314	22.5
238.84714	1.1
245.06630	2.8
255.12379	3.2
285.13470	2.4
300.99979	1.2
313.05704	11.7
323.09906	25.1
324.10071	1.4
341.10892	65.3
342.11313	2.3
386.02914	1.1
415.45364	1.0
507.11566	32.9
507.19925	2.4
508.11749	3.8
512.42072	1.1
533.23535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32058	0.8
55.07522	0.7
59.01385	100.0
60.87456	0.8
61.98837	0.9
67.32005	0.8
71.01379	6.5
73.02961	2.2
74.99107	2.1
75.00881	6.3
85.02975	2.8
86.46152	1.0
87.00883	0.9
89.02470	3.2
95.01392	1.4
97.02988	1.3
99.00889	1.4
101.02475	3.5
113.02473	2.8
113.38812	0.9
117.01962	3.5
119.03526	1.2
123.00928	2.1
125.02460	4.3
133.05064	1.5
136.99222	1.5
151.00398	1.0
151.03987	1.5
153.05594	1.0
155.01852	0.8
161.04585	5.2
169.01436	2.5
181.05086	32.6
182.05408	1.2
196.05632	1.9
196.07439	35.5
211.09772	75.3
212.10141	2.2
235.08281	3.2
254.82184	0.9
275.02060	1.3
301.00027	2.6
303.05356	1.5
361.46213	0.9
447.18716	2.4
507.11783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.4
58.00583	2.3
59.01384	67.6
61.98844	3.6
65.25992	2.4
69.03461	16.8
69.17490	5.0
69.17892	10.1
71.01385	40.0
71.05022	3.9
73.02944	11.6
75.00870	4.6
83.01377	5.1
85.02943	14.8
87.00865	5.8
89.02448	36.1
95.01377	7.1
96.73471	2.4
96.96014	6.1
97.02960	5.1
98.22620	5.1
99.00900	5.4
99.04528	3.7
101.02464	24.8
107.01385	11.3
109.06639	3.8
111.00824	2.3
111.08160	3.8
113.02472	19.0
117.01923	3.4
119.03489	15.9
119.05037	3.0
120.99683	10.2
121.02930	4.6
123.00895	13.7
123.04513	5.5
124.01660	7.5
124.91560	2.2
125.02459	85.2
126.02817	3.6
127.07641	12.6
133.02936	6.6
134.03758	28.1
135.04565	12.1
136.01659	3.0
137.02475	5.9
137.06104	7.6
139.11319	22.9
140.45255	2.4
141.01915	2.8
143.03525	9.4
145.01402	3.8
145.02960	3.5
149.02446	6.4
149.06067	7.1
150.03256	5.0
151.00397	8.9
151.03993	11.5
155.07111	5.5
157.08661	3.0
159.04539	2.8
160.04048	4.5
161.02452	10.5
161.04567	27.1
163.04024	3.7
165.01920	4.2
165.05560	6.9
165.09200	3.6
168.00703	3.6
169.01433	100.0
178.02719	20.0
179.03517	7.9
179.05597	35.4
181.05052	3.9
183.02966	2.6
183.10284	93.1
184.10599	3.4
192.00620	8.7
193.01424	20.8
193.05064	26.4
195.06665	4.5
197.11818	22.9
203.05609	4.5
225.11330	23.5
229.27020	2.5
245.00764	2.5
275.01923	5.0
285.17142	4.3
300.99954	4.7
313.02106	3.0
313.05688	52.7
323.10046	17.9
327.12262	3.2
341.10876	55.7
355.06570	9.5
386.67697	2.6
399.97415	2.7
443.01352	2.8
447.17105	2.8
507.11441	86.0
508.11703	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.5
69.21346	17.0
69.21759	10.0
71.01385	39.2
71.87135	4.0
73.02953	17.9
75.16635	4.1
76.52430	3.8
85.02952	13.9
89.02478	20.8
97.03022	5.5
99.00906	7.6
101.02477	27.3
113.02472	17.1
128.05058	5.2
149.74260	4.5
161.04594	21.5
315.18042	17.8
325.43948	4.5
328.48257	4.5
336.57462	4.3
447.22379	100.0
448.22571	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60154	0.6
57.03455	3.7
59.01385	100.0
61.98846	0.9
64.37866	0.7
69.03465	4.9
69.62945	1.3
71.01389	9.2
71.05026	1.2
73.02954	3.3
83.05062	0.7
85.02962	3.9
89.02471	2.5
95.01417	0.9
99.00866	0.8
101.02446	7.9
113.02464	3.3
113.06170	0.7
117.34657	0.6
119.03524	0.8
119.07178	1.1
125.02454	1.2
125.96424	0.7
139.11313	16.2
159.03001	0.9
161.04584	6.2
169.01404	1.5
180.92024	0.6
183.10281	73.7
184.10651	2.2
186.61443	0.7
281.12439	26.2
282.12753	0.9
370.25613	0.8
430.03119	0.7
459.73077	0.7
507.28412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.3
59.01386	4.0
68.63175	1.8
71.01403	3.3
83.05044	5.9
83.11694	1.9
97.06619	6.4
98.22692	5.3
103.40699	2.0
108.02187	2.7
109.06620	7.4
120.32136	1.9
123.08157	5.0
125.09734	26.4
143.49384	1.9
163.11269	4.7
171.10297	3.7
175.11302	5.1
185.11784	2.2
189.12816	2.1
191.10838	5.8
207.10272	6.5
209.11845	24.9
219.10280	4.7
220.68649	2.2
225.11259	4.3
237.11331	5.1
245.11736	2.7
263.13031	4.0
289.47946	2.1
293.14017	3.8
327.19443	3.7
343.19424	2.6
345.20663	6.6
361.20297	2.4
369.20883	3.7
371.18521	4.1
389.33240	4.0
415.21405	2.3
418.34204	6.2
419.24472	4.7
419.34238	10.1
435.23938	5.0
443.24026	2.5
445.22394	25.8
445.36145	3.3
446.22745	2.7
461.25543	4.1
463.23386	100.0
464.23621	8.7
471.24100	5.9
489.25061	44.9
490.25421	4.2
507.26028	15.0
507.36554	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	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45476	1.5
52.84563	1.3
71.12536	2.7
78.95911	24.9
87.88725	1.3
90.07516	1.3
96.96973	1.6
111.53914	1.4
122.02462	1.5
138.62181	1.4
152.99594	36.2
165.66170	1.5
168.18063	1.6
171.00548	1.8
227.03300	4.1
277.43228	1.6
279.23300	100.0
280.23758	7.2
507.27298	60.3
508.27692	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91028	2.7
61.98832	3.1
70.46588	5.5
78.95914	18.1
122.70024	2.7
143.74971	2.8
152.99619	24.2
219.24023	3.3
227.03111	3.2
271.66785	2.8
279.23325	100.0
280.23627	5.1
421.49939	3.9
441.08945	3.1
507.27133	42.4
508.27737	4.0
523.10846	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	507.333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70966	0.4
59.01385	100.0
60.01718	0.6
69.26536	1.6
89.02451	0.7
94.59509	0.3
146.18448	0.4
180.07941	0.5
211.13483	0.7
223.09790	0.6
285.18588	0.4
303.19766	0.9
386.54477	0.4
447.31000	2.1
477.19348	2.2
489.19656	0.6
507.33542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95581	0.5
57.03454	1.9
59.01386	100.0
60.01731	0.5
69.14949	0.5
69.31096	1.8
69.31513	0.7
70.55676	0.5
71.01397	1.1
89.02454	1.3
98.22638	0.9
101.02501	0.7
124.01705	2.0
125.02477	1.5
139.04066	2.2
143.10789	2.8
149.04591	0.9
213.12950	1.2
247.17159	1.5
267.17737	1.5
269.08038	0.6
269.15509	3.3
283.17065	0.8
285.18637	13.5
287.16650	2.1
411.29141	0.9
447.31192	39.3
448.31516	3.8
461.29419	1.5
477.19312	1.2
507.33820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3332
Annotation	Lemmasterone
Peak:m/z	Relative Intensity
57.03454	7.7
59.01384	7.7
60.40453	0.7
61.98840	5.7
69.03450	2.4
69.06891	2.5
69.07317	2.9
69.57144	0.8
71.01402	4.2
71.05029	4.0
72.50661	0.7
73.02953	11.3
78.43834	0.7
81.03465	2.0
82.95451	0.7
83.01407	0.9
83.05037	1.2
84.95129	4.5
85.02956	3.0
85.06590	4.4
87.04529	23.2
88.04855	0.8
89.02468	3.5
93.63762	0.7
95.05019	2.3
95.19108	0.7
97.06606	11.2
99.00896	2.7
99.04527	3.9
101.02460	1.8
101.06059	3.5
107.08691	0.6
109.06625	1.0
111.04516	1.9
111.08170	2.2
113.06094	2.3
114.06365	0.9
115.07652	6.1
121.06567	1.8
123.08182	4.1
125.06072	1.1
127.04026	5.4
129.09215	3.6
137.06067	1.3
139.07684	6.5
141.09233	1.7
150.05598	1.6
151.07628	3.7
153.09308	0.7
155.07240	1.3
159.10289	31.9
161.09781	0.7
173.09680	2.0
173.11882	5.1
175.11290	3.1
177.09212	1.8
179.10777	1.2
185.11855	5.9
187.13405	1.7
189.09184	1.2
191.10773	5.0
193.12326	4.7
201.09183	0.9
203.10782	1.7
211.11253	1.4
213.14935	1.1
215.14413	1.0
217.15988	1.7
219.13931	0.9
225.12924	0.9
227.14513	3.0
229.12311	4.9
233.15521	9.4
235.13448	5.5
235.17070	2.0
243.13889	5.2
243.16043	1.0
245.15480	64.3
246.15854	2.9
247.13403	4.8
247.17036	2.0
249.14952	11.3
257.15436	4.0
261.15005	7.4
262.15640	1.5
263.16534	88.6
264.17007	4.1
273.18585	2.8
289.18167	1.3
292.60699	0.9
299.16516	1.6
301.18274	2.2
317.17566	5.9
319.19177	5.3
325.18210	2.9
343.19165	1.9
361.20184	13.8
379.25177	0.8
413.26682	1.4
431.27963	5.4
433.25708	1.4
449.29126	20.6
450.29541	2.0
489.32407	1.7
507.24799	10.1
507.33328	100.0
508.33606	8.1
531.73175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52102	0.3
59.01379	2.8
61.98835	100.0
66.73828	0.3
67.32433	0.4
68.02534	0.3
69.89458	0.5
69.89811	0.8
71.01392	0.7
73.02974	0.4
85.02979	0.4
85.78644	0.3
96.22717	0.3
100.00201	0.3
101.02526	0.4
107.50497	0.3
111.08159	0.7
122.03734	0.8
123.00903	0.4
126.99599	0.5
133.78546	0.3
137.06087	0.5
163.04112	0.5
183.10332	0.6
187.13556	0.5
247.61902	0.3
248.73825	0.4
264.16763	0.4
447.31183	0.4
448.31668	0.6
465.32727	0.5
487.19202	0.4
506.84311	0.4
508.33829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98822	56.7
120.37413	17.5
123.00862	16.5
125.02477	37.4
151.00322	23.8
195.49788	16.1
219.72559	16.4
264.61188	16.7
508.33472	23.7
509.10901	54.1
525.91040	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	508.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56208	18.8
59.01392	32.3
61.98837	100.0
63.50511	21.6
65.49278	21.5
92.07684	21.6
135.04538	74.9
136.04871	26.9
140.81497	20.4
149.02380	22.5
152.82343	17.9
166.06494	28.4
179.03563	86.2
294.98438	22.7
432.07568	21.0
465.32361	43.5
508.32889	43.4
509.22308	36.3
509.30597	27.4
512.96692	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	509.1305
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
51.77674	0.8
57.03466	0.8
59.01377	4.2
61.58128	0.8
67.01886	0.7
69.03459	1.6
69.94302	2.1
71.01391	6.5
72.99294	0.7
73.02935	2.0
78.01111	1.1
79.01901	1.7
80.67765	0.8
83.01380	1.2
85.02963	2.0
87.00907	0.9
89.02435	1.4
95.01383	3.4
96.95989	1.7
97.02946	2.4
99.00887	1.4
101.02444	2.1
107.01397	10.8
107.05041	0.8
109.02930	0.9
110.00105	0.8
111.00898	3.3
113.02483	1.7
118.40071	0.7
121.02980	0.9
122.03740	1.5
123.00887	20.8
123.04488	1.7
124.01680	24.5
125.02464	52.8
126.02820	0.9
127.00414	1.5
135.04625	1.0
136.98787	2.0
137.02415	1.0
139.00404	3.6
139.04039	1.5
140.01172	3.1
141.01953	3.0
145.02872	1.0
149.02512	1.3
150.03250	16.8
151.00398	11.7
151.04007	3.1
153.01888	0.9
160.22731	0.7
161.02449	0.9
161.06061	0.8
162.03253	12.6
163.04010	2.7
164.04825	1.4
165.05595	11.3
165.77005	0.7
166.99835	3.1
167.03537	0.7
168.00677	7.6
169.01450	79.4
170.01852	1.3
174.03279	0.9
177.05592	6.4
179.03539	2.1
180.04298	11.4
181.01399	1.1
183.03052	4.6
189.01984	0.7
193.05066	0.7
195.02971	0.8
195.06651	11.2
203.03369	0.8
211.02531	4.2
225.03986	1.5
229.01428	1.2
241.03502	1.5
257.00824	0.8
259.03122	0.7
271.04507	2.2
275.01974	2.0
285.06213	3.2
297.06171	2.8
300.99811	4.7
302.00220	0.8
313.05701	25.4
314.06247	1.1
327.07156	1.1
391.02832	2.9
424.03198	1.0
449.24130	0.8
479.11957	42.3
480.12167	1.7
487.06973	3.1
487.57205	1.4
491.11993	41.3
492.12125	2.3
509.13013	100.0
510.13248	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	509.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.9
59.01383	100.0
63.04940	0.8
69.32494	2.9
69.32898	2.0
71.01386	57.1
72.99319	1.4
74.39243	0.8
75.53588	0.8
85.02956	5.7
87.00876	1.2
89.02451	77.8
101.02461	4.9
108.02205	2.6
113.02450	7.3
117.03442	1.2
119.03571	1.6
121.02949	5.4
123.04551	2.0
131.03506	9.9
133.02928	0.8
133.51552	1.0
137.54152	0.9
145.02966	2.6
146.03709	1.5
149.04552	12.0
150.03256	1.4
161.02467	3.0
162.03241	37.3
162.04596	1.9
163.03651	0.9
166.06372	15.1
177.04036	1.8
177.05591	32.1
178.05957	1.2
180.04343	1.2
181.08698	5.2
195.06654	3.7
225.12315	0.9
248.16922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.8
59.01385	52.9
69.03454	9.0
69.45625	6.5
69.46017	8.2
71.01381	34.2
73.02960	6.2
82.18751	3.2
83.05029	3.9
85.02975	13.7
87.00903	4.5
89.02442	25.5
95.01398	9.1
96.96025	13.6
98.22646	7.8
101.02441	18.1
113.02475	12.2
119.03511	10.8
119.70023	3.0
121.05042	8.1
123.00904	4.6
125.02469	12.4
131.07161	5.1
137.06125	3.2
139.11325	22.0
143.03587	4.5
145.02972	4.6
151.94418	4.8
161.04572	9.2
169.01471	21.8
175.04092	4.7
179.05673	5.1
183.10289	100.0
185.11874	8.4
201.02039	6.8
212.71945	3.5
217.01303	4.0
221.57397	3.6
228.00726	3.6
229.01431	12.0
230.01985	4.1
249.04150	5.1
257.01001	7.4
258.01492	3.4
265.09280	6.5
275.01984	17.5
276.02344	5.5
283.10269	28.9
300.99924	63.6
317.17825	4.1
391.03241	18.6
391.53299	6.4
415.18671	3.7
421.70709	3.5
424.03510	14.8
424.53906	4.2
449.23911	11.2
451.02567	7.0
451.52670	6.1
487.06927	5.5
487.57187	5.1
509.17715	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	509.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01371	4.8
65.03960	2.7
69.03446	1.5
70.04517	2.8
70.04853	1.0
71.01393	9.7
80.02669	2.1
81.03448	6.5
83.05031	13.3
84.02177	2.0
93.03455	7.1
95.01401	1.6
95.05013	3.2
96.96017	1.4
97.02948	5.2
97.06593	2.7
98.22593	1.2
105.02901	1.1
106.21877	1.1
107.05005	1.8
108.02154	1.3
109.02982	2.3
109.06600	12.1
110.03729	2.8
111.04536	16.1
121.02892	1.3
121.06612	1.7
123.08134	1.9
125.06062	1.8
125.09725	10.1
127.11257	3.2
135.08160	5.1
136.05328	1.5
137.09721	1.5
153.09322	1.5
155.10707	1.4
160.01598	1.2
161.09741	2.5
163.11296	11.3
165.09186	1.4
165.12808	2.2
171.10292	36.3
175.11272	1.3
177.12936	1.9
179.10782	1.4
181.12337	2.6
183.10205	1.1
185.11890	8.7
189.09282	1.3
189.12814	3.5
197.11783	1.5
199.09724	1.9
200.88153	1.2
201.11336	38.8
201.13156	2.7
205.12306	2.0
207.10284	39.0
209.11847	100.0
210.12219	2.7
217.12277	1.6
221.11771	1.5
223.13412	9.2
225.11336	29.8
227.12871	10.2
231.10196	3.2
233.11864	8.0
235.13397	4.2
245.11816	3.9
247.13457	3.5
249.11334	1.8
251.12968	14.7
263.12863	7.8
281.13968	5.0
291.04123	1.1
299.14996	9.8
305.14075	1.9
319.15421	2.9
323.14926	2.1
325.16608	2.0
337.16522	5.2
342.84238	1.2
355.17587	1.9
373.23962	2.4
389.23383	1.6
391.25049	1.3
399.21664	3.1
417.22736	3.7
435.23944	3.1
465.24997	3.3
473.25488	7.7
491.26620	22.0
509.27548	75.2
510.27914	7.5
513.92737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
57.03435	1.2
59.01389	5.2
60.37980	0.8
63.06277	0.7
65.03970	1.6
69.83086	2.9
71.01377	1.1
80.02679	3.6
80.37114	0.9
81.03453	4.2
83.05033	11.4
84.02179	2.4
93.03471	3.1
95.05053	2.9
96.00022	0.8
97.02950	4.8
97.06617	1.9
98.22023	1.5
103.91098	0.9
109.02958	1.9
109.06599	17.3
110.03770	2.3
111.04546	8.9
121.06610	1.8
123.08183	1.6
123.19666	0.8
125.09754	5.2
126.79276	0.8
127.11286	1.0
134.03772	1.2
135.08167	4.4
137.09787	0.9
142.02769	1.0
151.07773	0.9
151.11288	0.8
161.09717	2.8
163.11305	17.1
165.12883	1.8
171.10284	21.7
179.10907	0.9
181.12343	2.6
185.11856	7.6
189.09142	1.4
191.10768	2.2
191.14456	1.0
197.11961	1.1
201.11313	2.0
201.12929	1.3
203.14433	1.4
207.10287	42.5
208.10695	1.2
209.11847	100.0
210.12238	2.8
217.12360	1.2
219.10388	1.2
219.13931	1.0
221.11995	1.2
223.13367	3.2
225.11351	20.7
227.12906	10.5
231.10272	3.4
233.11899	1.8
235.13437	3.6
237.11205	2.3
245.11801	0.9
247.13429	2.9
249.11348	2.7
251.12709	1.3
263.12784	5.4
265.14441	1.5
281.13998	3.6
293.13980	1.1
299.14935	6.8
305.13989	2.2
319.15448	3.5
323.15005	1.7
337.16599	3.3
355.18283	1.7
373.24054	2.5
399.21823	4.5
417.22745	2.0
447.23770	1.8
465.24911	5.5
473.25461	15.1
491.26617	15.7
509.27600	35.0
510.27786	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	509.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59165	0.1
57.03452	5.2
59.01389	1.5
61.98832	0.8
62.02566	0.1
68.37037	0.2
69.03477	0.8
69.17764	0.2
69.18161	0.8
71.01385	1.1
71.05026	0.2
72.64172	0.1
73.02957	0.7
80.21318	0.2
83.05054	0.2
85.02959	9.7
87.04523	100.0
88.04855	1.0
89.02458	0.6
95.05024	0.8
97.02960	0.2
97.06605	1.2
99.04516	0.3
101.06092	25.6
102.06439	0.3
107.05032	1.2
109.06612	0.6
111.08181	0.3
113.06129	0.4
120.85839	0.1
121.06626	0.3
123.00927	0.3
123.04507	0.2
123.08196	0.3
124.01652	0.3
125.02454	0.4
125.06103	1.7
127.07705	0.2
133.06561	0.2
133.29382	0.2
135.08194	0.2
137.06058	0.2
145.38835	0.1
147.08221	0.2
149.06065	0.3
151.00421	0.3
151.07629	0.3
152.01202	0.3
153.09254	0.2
153.49448	0.2
161.06078	0.1
163.07671	0.4
169.01428	0.6
173.09790	0.2
177.05612	0.2
183.11819	0.5
185.09727	0.3
185.11845	0.3
189.09265	0.2
189.11330	0.8
189.12881	0.2
191.10826	0.4
199.11333	0.3
201.09288	0.3
211.15012	0.6
213.12965	0.5
217.08810	0.2
219.10300	0.2
221.09775	0.6
227.03485	0.3
227.14569	0.2
231.13916	0.7
233.11877	0.2
233.15446	0.9
237.11232	0.4
239.10713	0.3
239.14511	0.2
243.13988	0.2
245.15437	0.4
247.17035	0.6
249.12895	0.4
249.15030	0.6
250.12119	0.5
251.13017	0.8
253.15996	0.2
255.13928	0.5
257.15579	0.3
263.18097	0.2
265.16107	0.5
267.13834	1.0
273.15005	2.5
275.01901	0.2
275.12827	0.3
275.16623	0.2
281.19089	0.2
283.17050	1.6
285.15094	1.4
286.15347	0.2
299.16614	0.4
300.99988	0.3
301.18094	4.5
302.18423	0.3
307.16711	0.2
317.17969	0.2
319.19186	6.4
320.19492	0.6
327.19629	0.3
329.03055	0.7
335.20282	0.2
337.18201	0.2
343.19180	0.4
347.07678	0.4
347.18753	0.2
353.21194	0.4
355.19220	0.4
361.20129	1.4
371.22470	1.0
373.20212	1.6
379.22800	0.2
387.21884	0.4
389.23343	1.1
391.21317	2.7
392.21625	0.2
397.23901	0.7
405.22968	0.4
407.19577	0.3
407.24454	3.7
408.24722	0.3
415.24936	2.0
433.26050	1.8
446.13171	0.6
473.20187	0.3
473.29144	0.3
491.30396	1.3
492.30505	0.2
509.04041	0.9
509.31232	74.0
510.31546	5.8
514.08185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3125
Annotation	Palythoalone A
Peak:m/z	Relative Intensity
57.03451	3.3
59.01380	2.2
61.98838	0.7
62.37793	0.4
66.17772	0.4
69.03468	1.4
71.01392	1.6
71.05013	1.4
73.02949	5.2
83.05012	1.2
85.02960	11.4
85.06600	1.1
87.00893	0.8
87.04508	3.1
95.05031	1.0
97.06604	3.9
99.04561	1.0
101.06097	2.5
107.05043	1.2
109.06609	2.2
111.04526	1.0
113.06099	1.6
119.05022	0.6
121.06632	0.5
123.04556	1.0
123.08171	1.3
125.02415	0.5
125.06079	0.8
127.04063	0.6
127.07658	1.4
129.09215	0.7
133.06670	0.8
133.41502	0.6
135.04536	3.6
135.08168	0.7
136.04887	1.4
137.05098	0.6
137.06104	1.9
145.90581	0.5
151.07628	2.4
161.09718	0.6
166.06519	0.6
169.01550	0.5
173.09760	0.9
173.11848	3.7
175.11330	0.8
177.09254	1.4
189.09250	1.1
191.10788	5.1
201.12878	1.9
203.10774	3.3
209.09755	0.8
211.11174	0.8
213.09314	0.5
213.12907	1.0
217.12303	0.6
218.83278	0.5
225.12891	2.1
227.10817	1.5
229.12393	1.6
231.13936	2.1
241.12338	0.7
243.13896	5.9
246.12570	0.7
247.13364	1.2
249.14972	2.2
255.13928	1.2
259.13339	3.2
260.13788	0.5
261.14972	27.7
262.15283	1.9
263.16623	0.6
265.14441	7.3
269.15604	0.9
273.14951	2.3
275.16516	1.5
277.14459	2.0
279.16046	15.1
280.16672	0.7
281.15683	0.8
283.13412	1.1
287.16522	1.8
293.17606	2.3
297.14868	0.7
299.13016	0.6
299.16550	1.6
301.08765	0.5
301.14426	1.5
305.17590	2.3
315.16068	0.7
317.17590	6.1
333.17123	3.0
335.18680	3.8
341.17511	1.1
343.19135	3.5
358.09518	0.5
359.18719	2.0
361.20078	3.0
377.19662	2.4
379.21289	6.8
491.30408	1.1
509.31256	100.0
510.31607	9.7
522.69995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37964	1.6
55.86803	1.7
58.47193	1.5
59.01398	4.5
60.01723	1.5
63.03388	1.5
69.81020	1.5
71.01388	15.4
71.42591	2.4
81.03487	1.6
85.02968	2.5
89.02460	3.8
95.01390	2.5
96.96016	2.6
97.02955	2.1
98.49532	1.8
101.02446	2.2
107.01397	10.1
113.02438	2.3
115.00391	22.6
123.00893	10.2
124.01671	8.0
124.05065	1.7
125.02463	54.4
126.02809	2.2
133.01445	100.0
134.03743	11.3
135.04550	18.6
138.03252	2.2
139.00415	2.2
140.01228	2.4
141.01941	2.3
142.12390	11.6
149.06136	9.2
151.00394	5.3
151.04036	2.0
156.18153	1.6
165.05444	2.2
166.99812	4.5
168.00711	4.8
168.10379	3.3
169.01445	66.7
170.11885	6.0
175.04027	2.5
179.03517	25.9
182.02248	7.2
183.02986	4.5
189.01936	1.7
197.04623	7.0
201.01921	2.4
203.03596	1.9
211.02501	2.5
214.10870	13.8
226.30894	1.7
229.01501	2.3
231.03021	2.7
247.02580	2.4
249.04134	4.1
274.01218	2.1
275.02078	11.0
276.02106	1.7
299.99207	2.7
300.99905	10.4
302.00302	2.8
303.22363	1.6
308.37134	1.5
313.05710	27.0
326.00476	1.9
327.01556	3.8
391.53439	1.9
467.11990	5.6
487.56931	3.6
510.13513	2.1
511.14377	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	510.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79891	0.4
59.01383	1.3
61.46714	0.3
61.98835	100.0
68.51467	0.3
69.53325	1.5
70.75889	0.3
71.01398	0.5
75.90275	0.3
77.35055	0.3
88.71675	0.3
89.02473	0.4
96.96024	0.6
107.37003	0.3
125.02465	0.5
133.65129	0.4
135.04503	0.4
137.02463	0.5
159.51796	0.3
181.50084	0.3
267.86319	0.4
300.99817	0.4
315.01495	0.4
434.17459	1.4
478.16541	1.0
479.17032	0.4
510.07364	0.4
510.19986	0.8
539.77820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.22540	0.8
69.22953	1.3
110.55898	0.3
135.04543	0.4
214.05916	0.5
231.92654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01385	5.1
61.24339	0.6
61.98837	100.0
62.56452	0.7
63.84597	0.6
71.01395	1.6
73.02969	0.8
75.00883	0.9
85.02954	1.3
87.04556	1.6
89.02441	1.1
95.01427	1.2
98.21875	1.4
101.02528	0.8
123.00920	3.4
124.01647	1.4
125.02470	4.2
139.00403	0.8
140.01216	0.9
151.00410	2.1
152.01189	2.1
168.00652	1.1
169.01457	4.6
178.99940	1.6
183.10300	0.7
197.37541	0.8
199.04080	0.7
240.08499	0.7
256.03610	0.8
284.03082	0.9
285.04202	1.1
300.99973	1.1
311.01962	1.9
329.03174	2.3
330.03445	3.5
347.07782	1.6
348.08035	5.3
367.01135	1.4
385.02124	9.9
390.24344	0.8
407.04398	0.8
447.14105	1.5
449.05157	1.5
493.04562	1.2
510.04263	6.7
510.13406	4.1
510.31516	2.5
511.14459	6.8
511.29010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67308	2.5
65.79546	2.5
70.36987	6.1
83.73891	2.5
87.00902	13.0
89.26615	2.5
120.65070	2.8
123.00906	2.9
123.04540	61.4
125.02470	6.6
149.06116	17.6
150.03291	3.1
165.05518	13.0
169.01509	6.0
182.02116	2.7
193.05130	12.7
193.06570	2.8
195.03036	14.4
239.32018	2.3
255.05121	100.0
256.05466	3.4
511.10681	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	511.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.6
61.02679	2.5
61.89865	2.8
66.93000	2.5
69.15267	18.5
75.63435	3.0
78.01061	2.7
87.00880	11.2
95.15326	2.8
98.46956	3.2
107.01377	4.5
123.00813	3.8
123.03634	4.1
123.04527	59.0
125.02457	18.4
135.04559	4.4
143.88478	3.1
147.31552	3.0
149.06067	14.1
149.07098	2.8
149.87540	2.8
161.02499	3.7
165.05568	14.0
169.01451	23.2
189.05592	3.3
193.05074	8.7
195.02945	11.3
207.06514	4.1
213.38838	2.7
255.05132	100.0
313.05588	9.1
349.55542	3.0
413.10861	3.0
511.10764	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	511.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	4.1
61.02024	1.1
70.21150	2.6
71.01380	6.8
72.25185	0.9
77.79794	1.0
79.01846	1.2
80.48004	0.9
81.03426	1.1
85.02923	1.8
87.00873	0.9
89.02398	3.0
91.62469	0.9
95.01366	2.4
97.02920	1.8
98.22553	1.0
101.02388	2.2
107.00734	1.0
107.01400	14.8
109.02927	1.6
111.00894	2.1
113.02408	2.3
115.00317	1.3
123.00898	15.6
124.01670	10.3
125.02461	72.6
126.02717	1.1
128.09393	0.9
133.01398	1.7
134.03668	1.7
135.04536	29.7
137.02461	7.3
138.03172	2.6
139.00336	2.2
139.03973	1.1
139.63672	0.9
140.01158	1.7
141.01888	2.1
151.00383	7.8
153.01942	1.5
153.05525	1.7
161.02324	2.4
166.99872	5.4
167.03435	1.3
168.00645	6.1
169.01439	100.0
170.01680	2.3
179.03546	4.7
182.02223	11.0
183.03015	5.6
197.04559	9.0
199.90849	1.1
211.02293	4.2
211.97101	1.1
215.38554	0.9
241.03404	3.6
254.14783	1.1
271.04471	5.9
275.02069	1.3
300.99747	2.4
313.05701	47.4
314.06024	1.7
327.06906	1.8
359.09137	1.1
420.10162	1.4
449.11221	7.0
451.08939	5.2
467.11996	8.7
475.13861	1.3
493.09311	4.0
511.10458	71.7
512.11481	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	511.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
67.22027	0.6
68.75117	0.7
69.03465	1.3
71.01388	5.7
71.47071	0.6
73.02949	1.2
79.01903	1.2
81.03469	1.9
83.01438	0.6
83.51238	0.8
85.02957	1.5
85.31148	0.7
89.02454	0.6
90.55064	0.6
95.01399	1.1
97.02967	1.8
101.02456	0.8
107.01400	13.1
111.00876	1.0
113.02485	1.1
120.17519	0.7
121.02984	2.4
123.00912	10.0
124.01685	10.5
125.02463	68.7
126.02781	1.0
138.03252	0.9
139.00397	1.1
139.04007	2.3
141.01932	1.5
141.75006	0.7
147.00833	0.7
151.00394	5.9
153.01881	0.7
153.05588	2.2
165.01909	1.1
168.00682	6.2
169.01442	100.0
170.01741	2.0
175.09833	1.3
179.03539	0.8
182.02219	1.7
183.02994	9.6
197.04539	1.7
198.75693	0.5
211.02504	7.2
225.04031	3.0
241.03488	5.4
253.03409	0.8
271.04645	7.9
285.06195	3.1
313.05701	58.4
314.05981	2.0
327.07330	3.7
331.06738	1.5
339.91162	0.7
404.09402	0.7
451.08496	0.9
511.10959	48.8
511.28571	4.4
512.11188	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	511.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56120	0.6
57.89025	0.6
59.01413	2.5
69.03497	2.1
71.01395	7.9
71.07546	1.0
73.02975	0.6
77.96543	0.7
79.01919	1.1
81.03476	1.5
81.39359	0.6
83.01421	1.1
84.71383	0.6
85.03004	1.8
89.02488	0.6
95.01417	2.5
96.96066	0.7
97.03000	2.0
101.02457	1.6
107.01405	12.7
107.02061	1.1
110.50371	0.7
111.00932	1.3
113.02487	1.6
115.00429	2.5
123.00897	17.0
123.01756	1.2
124.01674	12.1
124.02491	0.8
125.02460	76.6
126.02867	1.4
133.01443	6.7
134.01788	1.6
134.03760	1.9
135.04539	1.4
137.02530	1.1
138.03227	3.6
139.00371	1.7
139.04016	1.3
140.01199	1.9
141.01968	2.3
149.06126	2.2
151.00385	6.9
153.01961	1.0
153.05608	1.7
155.23474	0.7
163.04065	0.7
166.99887	6.0
168.00638	6.2
169.01445	100.0
170.01782	2.0
179.03445	1.3
181.32191	0.7
182.02231	16.5
183.03004	7.3
183.19058	0.7
193.95416	0.7
197.04567	13.8
210.70332	0.8
211.02443	2.2
221.53032	0.8
241.03526	3.1
289.07352	1.1
300.87347	0.9
313.05676	51.9
314.05978	2.1
327.07257	4.6
394.39230	0.9
451.82275	0.8
467.11923	12.4
511.10565	73.8
512.11176	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	511.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77761	0.8
55.01873	1.1
59.01383	6.6
67.01891	1.9
68.99817	0.8
69.03460	2.4
71.01393	7.9
71.42360	0.8
73.02955	14.2
75.72083	0.8
79.01901	1.7
81.03462	4.8
82.00615	0.9
83.01380	2.0
85.02946	3.2
87.00891	4.4
89.02477	1.9
93.03463	0.8
95.01406	4.4
97.02954	2.6
99.04525	8.8
101.02444	3.7
107.01404	15.8
108.02193	2.0
110.00152	1.2
111.00898	5.4
112.98857	0.8
113.02464	2.7
117.05609	4.7
120.58619	0.8
121.02980	5.4
123.00903	25.6
123.04563	2.6
124.01679	34.2
125.02464	79.0
126.02852	0.9
127.00392	2.7
134.03896	0.8
135.04568	2.3
136.98796	5.3
137.02501	4.0
138.03302	1.5
139.00401	8.5
139.04021	7.2
140.01178	10.8
141.01955	4.7
149.02432	2.3
150.03268	1.0
151.00378	13.2
151.04027	1.0
153.01945	3.0
153.05580	3.7
161.02435	1.3
163.04025	6.7
164.04810	15.7
165.05519	2.6
166.99849	3.0
167.03545	2.2
168.00659	24.9
168.04323	1.3
169.01443	100.0
170.01744	2.8
173.08174	1.2
174.40030	0.9
178.06348	1.8
179.03520	2.0
179.07130	6.8
181.01434	2.3
181.05042	1.0
182.02177	2.3
183.03000	30.3
183.06612	2.9
193.01433	2.2
197.04549	5.2
197.08113	1.0
207.02960	1.2
210.01736	1.3
211.02507	21.3
219.75957	0.9
223.02376	0.8
224.03355	1.2
225.04086	7.9
239.05704	2.1
241.03445	1.4
271.04596	5.1
285.06195	10.0
294.54321	0.8
297.06219	4.9
300.99841	1.7
313.05692	28.1
317.17569	3.3
327.07214	11.8
331.06943	1.6
345.08188	1.6
345.20609	0.9
387.09479	6.6
451.08917	1.0
471.91318	0.8
479.11618	1.9
493.13574	50.9
494.13879	2.5
511.14301	67.9
511.29236	5.6
512.14502	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	511.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83485	0.6
59.01385	12.8
62.36143	0.6
67.01878	1.6
69.03466	1.7
71.01384	4.6
78.01130	0.7
79.01906	1.4
81.03476	0.8
81.62774	0.8
83.01389	1.2
85.02962	1.8
87.04517	1.9
89.00355	0.9
89.02454	1.0
95.01379	3.1
97.02979	2.0
99.92603	3.0
101.02477	1.7
106.00610	1.0
107.01383	6.4
109.02927	1.2
111.00896	1.5
111.24157	0.6
113.02479	2.2
121.02972	11.9
123.00898	24.4
124.01723	6.3
125.02460	35.9
136.98778	1.0
137.02452	5.1
138.02205	0.6
138.03181	3.5
139.00374	3.7
139.04034	5.7
140.01201	1.0
141.02007	3.5
151.00374	9.0
152.01114	0.8
153.01952	1.6
153.05595	10.3
155.01129	0.8
165.01935	2.0
166.06410	1.1
166.99890	2.0
167.03534	1.9
168.00670	6.5
169.01443	57.3
170.01802	1.1
180.04294	0.8
181.01445	11.3
181.08752	1.2
182.02226	6.6
183.03015	11.1
193.01440	2.2
196.03847	7.3
197.04567	25.3
199.99300	0.7
205.05402	0.6
211.02527	14.1
211.06044	5.7
224.03271	8.3
225.04039	4.2
239.05629	30.1
240.05957	1.0
253.03535	1.5
253.87944	0.6
255.05064	0.7
261.99463	1.5
269.06717	1.9
271.04749	0.9
285.06232	5.4
292.49115	0.7
299.07681	4.9
313.05664	6.8
317.17514	1.3
327.07260	6.7
331.06528	1.1
341.08658	1.1
451.08740	2.3
511.10953	100.0
511.27982	4.2
512.11273	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	511.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.94235	0.4
59.01384	11.3
63.32177	0.4
67.01891	1.0
69.03452	0.9
71.01383	6.2
71.42810	0.4
72.99303	0.4
73.02946	0.8
74.99110	0.4
79.01897	1.4
81.03463	0.8
83.01389	1.0
85.02959	1.9
87.00884	0.8
89.02449	5.0
95.01375	2.7
96.96014	1.5
97.02954	1.2
97.76630	0.4
101.02448	3.3
107.01396	6.4
109.02976	0.5
111.00889	1.4
113.02450	2.8
119.03509	1.5
121.02915	0.9
122.03758	2.0
123.00898	17.6
123.04538	1.6
124.01688	10.8
125.02459	30.7
134.03751	1.2
135.04527	1.6
136.98799	1.3
137.02466	0.6
138.03177	0.5
139.00346	2.1
139.03975	0.9
140.01192	2.8
141.01933	2.8
149.02429	1.2
150.03261	2.6
151.00385	8.1
151.03943	0.5
153.01889	0.9
154.01469	3.0
161.02455	0.8
161.04539	0.4
162.03082	0.4
163.04021	0.5
164.04807	1.8
165.01990	0.8
165.05582	3.4
166.99846	0.9
167.03462	0.5
168.00645	5.7
169.01440	34.3
175.03943	0.4
179.03503	0.6
179.05714	0.7
179.07159	0.5
182.02245	0.6
182.05872	2.8
183.03000	3.5
191.03571	0.5
195.02907	0.4
195.06691	1.3
197.08234	2.5
203.03575	0.5
209.04659	0.4
210.01669	0.7
211.02486	11.7
225.04036	4.0
229.01385	0.6
231.03004	0.5
241.03348	0.6
249.04097	0.8
257.00827	0.6
271.04630	10.0
274.01138	0.5
275.02206	2.2
275.04480	0.4
276.02408	0.5
285.03452	0.4
285.06287	2.4
301.00021	2.8
301.10675	1.0
313.05673	5.7
331.06644	0.6
345.11893	1.2
390.52673	0.9
431.15875	1.0
453.27869	0.5
463.16409	2.5
467.68777	0.5
511.14603	100.0
512.06995	1.2
512.14862	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	511.146
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
59.01363	1.6
60.47933	0.5
69.03439	0.8
69.47924	2.2
71.01388	3.5
73.02920	0.7
78.87909	0.4
79.01899	0.8
81.03448	1.0
83.01396	0.9
85.02947	1.5
87.00874	0.6
95.01396	2.2
97.02966	1.7
101.02471	1.7
107.01401	10.9
107.05001	0.5
109.02982	0.6
111.00904	1.6
113.02463	1.7
123.00896	15.5
124.01680	9.9
125.02461	66.6
126.02776	1.1
127.00374	0.6
131.34796	0.5
134.03760	20.4
135.04535	2.8
136.98799	0.7
138.03242	0.8
139.00395	2.3
139.04015	1.4
140.01178	2.1
141.01962	2.0
145.02972	0.5
149.06096	17.6
149.07234	1.0
151.00391	9.7
153.01973	1.0
165.01970	0.8
166.99899	1.1
168.00681	5.3
169.01442	82.6
170.01804	2.0
179.03491	0.6
182.02249	2.9
183.02994	3.4
191.03613	0.6
195.02927	0.5
197.04622	2.0
211.02579	1.7
241.03651	1.5
249.04042	0.6
253.03619	1.1
271.04489	0.7
275.02115	1.9
301.00049	1.3
313.05695	25.6
314.06186	0.7
327.07394	1.7
346.60858	0.5
378.03693	0.7
467.12201	1.7
495.14651	0.5
511.14865	100.0
512.15204	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1459
Annotation	Amphicoside
Peak:m/z	Relative Intensity
59.01381	7.2
59.94677	0.5
62.94174	0.6
67.01897	1.3
69.03479	1.0
71.01389	4.2
73.02941	0.9
77.45371	0.7
78.01125	0.7
79.01907	1.8
81.03468	0.7
83.01398	1.3
85.02980	1.8
87.00907	1.1
89.02447	1.6
95.01426	2.5
97.02985	1.3
101.02440	2.2
104.69377	0.6
107.01402	10.7
107.02072	1.1
109.02958	0.7
110.00134	0.9
111.00928	2.0
113.02466	1.7
119.03512	1.0
123.00900	18.2
123.04549	0.9
124.01678	18.9
125.02464	30.3
127.00417	1.4
135.04552	1.0
136.98810	1.4
137.02449	1.5
138.03331	0.7
139.00414	3.6
139.04004	2.0
140.01129	3.0
141.01973	2.7
146.03748	0.6
147.04611	0.8
149.02475	1.0
151.00383	8.5
153.01956	2.2
163.04001	2.9
164.04810	8.7
165.05533	2.9
166.99866	1.1
167.03477	0.8
168.00633	8.6
169.01443	38.5
170.01784	0.6
179.07156	4.0
182.02216	0.9
182.05925	0.7
183.03004	5.0
191.05582	1.0
194.99384	1.1
197.08226	1.3
210.01759	0.8
211.02501	9.9
225.04054	3.1
241.03604	1.0
253.03540	0.8
271.04605	9.6
285.06311	3.6
297.06235	1.9
313.05713	5.2
345.12143	1.4
360.21869	0.6
385.02066	0.9
387.09387	4.1
418.43185	0.6
435.12851	1.1
463.12128	1.0
479.11975	18.2
480.12454	1.2
493.13583	19.4
494.13666	1.1
511.14655	100.0
512.15027	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	511.1461
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
59.01392	8.8
61.98849	1.2
69.03466	0.9
69.79981	2.2
71.01391	5.0
78.38402	0.7
79.01917	1.0
83.01389	0.9
85.02982	1.9
87.00883	1.4
89.02460	4.1
95.01410	1.4
96.96059	1.8
97.02965	1.5
98.21988	1.1
101.02454	2.9
107.01404	5.9
108.90606	0.9
109.02973	1.1
111.00901	2.0
113.02457	2.5
119.03511	0.8
120.01299	1.5
121.01640	0.7
121.02977	0.9
122.03780	0.7
123.00910	16.2
123.01765	1.5
123.04556	1.2
124.01682	9.3
125.02469	25.3
126.02884	0.8
127.00417	1.1
134.03740	0.9
135.74068	0.8
136.98842	1.3
137.02406	1.2
138.03134	0.8
139.00394	2.9
139.04095	1.4
140.01170	3.0
141.02000	2.4
147.04561	1.1
149.02490	1.9
150.03267	2.5
151.00369	7.3
151.03886	0.7
153.01993	1.7
161.02530	0.9
163.04013	1.3
164.04794	2.7
165.05641	4.3
165.25037	0.7
166.99910	1.4
167.03539	0.8
168.00685	4.8
169.01451	36.4
170.01732	1.4
171.01871	1.0
179.03598	1.1
179.07179	1.8
182.02197	1.0
183.02972	3.5
195.06744	1.6
197.04626	1.1
203.79784	0.7
211.02496	7.5
225.04106	1.5
247.02357	0.9
270.03723	0.9
271.04626	8.9
275.02026	0.8
285.06168	1.8
297.06335	0.9
301.00034	1.3
313.05835	6.0
345.12216	1.1
347.83539	0.9
387.09845	1.0
463.12848	1.6
479.12173	1.4
481.12686	3.1
493.13229	3.8
511.14661	100.0
512.15100	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	511.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
60.99307	12.3
61.98832	1.8
63.76517	1.7
68.98441	1.8
71.01389	2.5
88.98819	100.0
89.02448	39.9
113.02423	2.5
113.56003	1.8
125.02515	3.5
135.04570	2.7
149.55048	2.2
150.37399	2.2
229.51024	1.9
274.97943	2.0
421.21088	2.7
511.01315	3.0
511.17932	5.9
511.29398	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	511.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
60.99307	12.3
61.98832	1.8
63.76517	1.7
68.98441	1.8
71.01389	2.5
88.98819	100.0
89.02448	39.9
113.02423	2.5
113.56003	1.8
125.02515	3.5
135.04570	2.7
149.55048	2.2
150.37399	2.2
229.51024	1.9
274.97943	2.0
421.21088	2.7
511.01315	3.0
511.17932	5.9
511.29398	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	511.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60601	0.4
57.03467	1.0
59.01382	3.9
61.98832	1.1
69.03471	1.0
69.65821	0.4
71.01390	3.8
73.02951	2.7
81.03480	0.4
83.01408	1.2
85.02966	1.6
93.72852	0.4
95.01385	1.8
95.05065	0.5
96.96042	0.8
97.02959	0.5
97.06573	0.4
101.02461	2.6
111.00805	0.4
111.08170	1.3
113.02454	1.5
123.00895	17.8
123.04510	0.9
124.01674	100.0
125.02509	7.0
138.03244	5.0
139.04027	64.8
140.04356	1.3
140.59627	0.4
149.02484	0.6
153.01878	0.6
153.05611	0.6
161.04512	1.0
165.12862	10.8
166.13216	0.7
169.01424	0.7
181.05042	0.8
183.13921	32.2
184.14284	1.3
197.15518	0.6
203.14546	0.7
207.13968	1.5
209.11841	3.3
221.15540	1.7
227.12923	9.7
228.13185	0.6
231.13948	1.0
233.11792	2.0
249.14996	0.8
251.12912	4.3
265.14536	2.2
269.06979	0.5
269.13760	0.8
275.12982	1.6
283.08261	0.8
293.13980	12.3
294.14136	0.5
301.09256	0.8
311.14972	0.8
341.95471	0.4
371.17188	2.1
380.52692	0.4
406.55710	0.4
479.19031	1.0
493.20755	0.9
511.21851	54.3
512.22211	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	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44643	0.6
55.01875	0.5
57.03473	0.8
59.01383	6.5
61.98828	1.6
69.03456	0.8
71.01391	4.6
73.02972	3.0
80.96529	0.7
81.03456	1.7
83.01395	1.7
83.05044	0.6
83.58945	0.4
85.02960	2.9
87.04541	0.8
93.03462	1.3
95.01390	4.0
96.96050	1.5
97.02971	0.7
97.06612	1.4
101.02446	2.2
108.02185	53.0
109.02973	20.9
111.00971	0.7
111.08167	1.4
113.02468	2.4
121.02964	3.3
122.03803	0.8
123.00900	49.0
123.04537	1.5
124.01674	85.0
125.02507	8.8
133.02928	0.6
135.04550	0.7
137.02441	1.1
138.03238	15.4
138.04308	0.9
139.00432	1.2
139.04022	59.5
140.04375	1.2
149.02452	1.6
150.03259	0.7
151.03999	1.4
152.01160	37.6
153.01952	9.3
161.04578	1.0
163.04085	0.8
165.05600	0.8
165.12852	12.0
166.02682	0.7
166.49956	0.6
166.55069	0.6
168.00647	1.0
169.01451	0.6
181.05107	2.7
183.02994	10.2
183.13913	28.0
184.14244	0.8
189.12944	0.6
193.05034	0.9
195.13823	0.7
203.14537	1.0
207.13913	2.5
209.11870	3.0
213.14958	2.9
221.15378	2.1
223.13406	0.9
225.14864	0.7
227.12900	12.4
231.13855	1.1
233.11821	2.3
237.14784	0.6
241.14594	0.7
249.15013	2.1
251.12897	5.9
265.14490	3.2
269.14114	0.7
275.12814	3.0
283.08292	0.8
293.13986	19.3
294.14490	0.7
301.09338	3.2
311.15039	1.5
322.22473	0.5
371.17062	3.1
427.34601	0.5
467.22842	0.7
493.20859	1.9
511.21829	100.0
512.22266	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	511.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80943	0.9
57.03446	1.6
59.01387	11.0
61.98841	2.3
64.43976	1.2
68.99828	1.2
70.10357	0.9
71.01062	1.0
71.01400	7.0
71.44672	1.3
73.02943	1.4
81.03472	2.2
83.01382	2.4
85.02969	3.0
88.98807	2.3
89.02463	4.1
95.01411	5.9
97.02969	2.4
101.02457	2.2
109.02984	4.5
111.00896	2.8
113.02469	3.1
116.92879	8.6
121.02970	11.5
122.00114	1.7
123.00892	11.7
123.04500	1.1
125.02476	2.6
127.00405	1.4
131.45308	1.3
136.98834	2.1
137.02460	17.4
138.03264	3.5
139.00400	3.1
139.04037	6.0
141.01964	1.8
145.73027	1.5
147.82851	1.3
152.01135	1.8
153.05603	12.6
154.02756	1.5
155.03511	3.2
155.10800	1.2
165.01941	1.3
166.99904	4.7
167.03506	1.7
168.00677	1.3
169.01566	1.8
181.01442	11.5
182.02232	7.3
183.03027	9.4
197.04567	36.0
198.04858	1.3
225.04056	3.9
239.05637	2.9
277.46213	1.1
369.63162	1.2
425.14532	2.2
481.17261	4.1
496.19574	3.6
511.21967	100.0
511.28397	4.2
512.22113	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	511.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98820	42.3
68.13290	17.1
71.01383	33.8
75.91285	17.9
78.72162	18.4
85.02922	21.9
89.02437	34.5
90.98591	23.8
95.01412	26.2
96.96035	33.8
101.02452	25.1
107.01378	28.5
121.97784	20.9
123.00893	28.0
124.01662	32.0
125.02494	48.2
136.85144	19.8
153.08009	20.6
161.04553	23.5
169.01443	59.3
183.03072	32.6
225.05919	43.6
259.64569	19.3
314.14832	20.2
353.75433	20.4
438.85724	20.5
511.17972	63.4
511.25104	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2913
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
52.67957	0.2
57.03448	2.1
57.61811	0.1
59.01379	1.5
61.98832	0.3
62.32686	0.2
63.02398	0.2
65.00333	0.2
69.03464	1.3
71.01395	2.1
71.05022	0.8
73.02956	3.3
75.00875	0.2
79.05543	0.2
81.03463	0.6
83.01395	0.4
83.05022	0.6
85.02960	2.2
87.00898	0.6
87.04523	57.2
88.04850	1.1
89.02444	0.4
89.04897	0.2
89.73050	0.2
93.03487	0.4
95.01373	0.2
95.05059	0.9
95.05545	0.2
96.80612	0.2
96.96036	0.4
97.02956	1.1
97.06593	1.0
97.44092	0.2
98.62047	0.2
99.04532	0.8
101.02462	0.2
101.06078	1.7
102.06454	0.3
107.01393	0.3
107.05031	0.5
108.02171	0.4
109.02955	0.2
109.06626	0.5
110.03760	0.5
111.00928	0.3
111.04534	0.4
113.06070	0.4
115.07672	0.6
121.02998	0.2
121.06599	0.3
122.03746	0.2
123.00893	0.2
123.04539	0.7
123.08167	0.4
124.01607	0.3
124.05328	0.2
125.02454	1.1
125.06113	1.8
133.06642	0.3
137.02451	0.5
137.06052	0.3
139.07620	0.8
143.05038	0.3
145.06625	0.2
147.00957	0.2
147.08231	0.2
149.02464	0.3
149.06082	0.4
149.09740	0.4
151.00398	0.6
151.07709	0.2
152.01184	0.7
153.05573	0.3
155.05058	0.4
157.06563	0.4
159.04529	0.3
159.08093	0.2
161.02557	0.3
161.06018	0.2
161.09767	0.2
163.00412	0.8
163.11310	0.2
164.01134	0.4
165.01915	0.6
165.05576	0.4
165.09236	0.3
167.05063	0.5
169.01453	0.7
169.02910	0.4
171.04555	0.7
172.08910	0.2
173.02576	0.2
173.06091	0.6
173.09743	0.6
174.03246	0.2
175.07663	0.4
175.09862	0.2
175.11354	0.5
177.02016	0.8
177.09256	0.3
177.12878	0.3
178.99890	0.8
183.03024	0.4
183.04514	1.9
185.02495	0.3
185.06090	0.4
185.09708	0.3
185.13371	0.4
186.03198	0.3
187.04005	0.4
189.01984	0.2
190.99925	1.6
191.10823	0.9
192.00647	0.4
193.01431	1.6
193.02977	0.3
195.04601	0.5
197.02473	0.4
197.06010	0.2
198.03253	0.4
199.04008	1.8
199.11266	1.3
200.08456	0.6
201.01936	0.2
201.05620	0.7
201.09235	0.7
201.12886	2.1
202.10045	0.2
202.13217	0.2
203.03668	0.2
203.07069	0.2
203.10759	0.2
203.14497	0.4
205.01524	0.2
205.12407	0.3
209.02448	0.5
211.03998	2.9
211.11334	0.4
212.04637	0.4
213.02003	0.5
213.05603	0.7
213.09271	0.4
213.12915	0.5
214.02658	1.0
215.03554	1.0
215.10760	0.3
217.12386	0.8
217.16170	0.2
219.10411	0.3
219.13885	1.7
221.02553	0.3
221.06157	0.3
221.15465	0.3
223.04074	0.3
223.11328	0.2
224.04918	0.2
225.02025	0.4
225.05629	0.4
225.12985	0.5
226.02725	0.6
227.03545	3.4
227.10893	0.2
227.14435	1.7
228.04103	0.4
228.11649	0.3
229.05092	1.2
229.12344	4.0
229.15965	0.3
231.03021	0.5
231.13902	0.5
233.01033	0.5
237.01997	0.8
237.05640	0.3
238.02608	0.4
239.03513	3.3
239.10689	0.2
240.00601	0.2
240.04013	0.5
241.01463	0.4
241.05110	1.0
241.12456	0.2
242.02264	1.7
243.03040	1.2
243.13918	1.7
244.03790	0.2
245.04417	0.3
245.15472	3.5
246.12656	0.2
247.13429	2.0
248.04912	0.2
249.05649	0.4
249.14944	0.3
251.03513	0.5
252.04347	0.2
253.01505	0.5
253.05055	0.8
253.15959	0.3
254.02217	0.5
255.03004	4.4
255.14000	0.5
256.03619	0.5
257.01489	0.3
257.04532	4.4
257.15555	0.4
259.02567	0.5
261.15027	0.7
263.01718	0.3
264.04312	0.2
265.01450	1.2
265.05103	0.3
265.14456	0.4
266.02206	0.7
266.12943	0.2
267.02975	4.7
268.03375	0.3
269.01178	0.3
269.04556	0.4
269.15472	0.4
270.01633	0.5
271.02490	0.6
271.13437	0.3
271.17105	0.6
272.03171	0.2
273.03903	0.9
273.14975	0.6
277.05130	0.5
279.03186	0.3
279.06622	0.3
280.03763	0.5
281.00992	0.6
281.04572	1.0
281.15509	0.9
282.01752	0.6
283.02524	4.4
283.05722	0.2
283.16974	0.4
284.03098	0.3
284.14148	0.3
285.04041	2.0
285.14963	0.3
287.01907	0.3
287.16522	0.8
288.02847	0.2
289.05115	0.3
289.18213	0.4
291.02875	0.3
292.03961	0.3
293.00940	1.3
293.04614	0.7
294.01703	0.4
295.02551	5.0
295.06049	0.5
296.02942	0.5
297.18570	0.4
298.01132	0.4
299.01917	0.9
299.16574	2.6
301.03482	0.4
301.14487	0.6
301.18018	0.4
302.15176	0.3
305.04623	0.6
307.02524	0.4
307.05771	0.2
308.03220	0.3
309.00488	0.4
309.04071	1.3
310.00998	0.2
311.02014	5.5
312.02646	0.7
313.03540	8.1
314.03897	0.5
315.01694	0.5
315.16376	0.3
315.19858	0.2
316.02420	0.2
317.17618	3.4
318.18063	0.2
319.02554	0.3
319.19205	0.4
320.16330	0.5
321.00388	1.4
322.01074	0.3
323.01996	1.5
323.05713	0.5
325.17966	0.2
327.01462	1.8
327.04932	0.3
327.19693	0.7
329.03003	2.6
330.03073	0.2
331.04559	2.6
331.19257	0.3
333.04117	1.2
333.17288	0.2
335.01984	0.3
335.05597	0.3
335.18713	4.3
336.19098	0.3
337.03629	1.0
337.20023	0.3
339.01477	5.2
340.01913	0.8
341.03064	0.3
341.17380	0.3
345.20676	0.3
347.01877	0.2
347.05664	0.4
348.99872	0.4
349.03741	0.2
350.00720	0.4
350.04517	0.4
351.05243	0.7
353.02908	0.3
357.02490	3.1
359.05090	0.2
359.18427	0.3
360.02487	0.3
361.03583	0.7
361.20325	0.3
364.02371	0.3
365.03033	2.6
367.00961	8.6
368.01559	1.0
369.20920	0.3
371.18579	0.2
375.04947	0.3
377.19553	1.0
379.04642	0.8
381.02426	0.4
383.04065	2.3
385.02039	57.5
386.02386	4.4
387.21854	1.0
389.03192	1.9
389.19537	0.3
393.06442	0.2
399.09225	0.2
399.22031	0.2
403.04568	0.4
403.25192	0.3
405.22879	2.5
407.04114	7.1
407.20493	1.4
408.04440	0.6
413.03143	0.2
417.22903	0.6
419.04276	0.3
419.24231	0.3
421.05505	0.3
421.25974	0.6
423.18179	0.4
423.23883	6.7
431.04327	1.2
433.02032	0.3
447.03909	0.3
449.05173	11.0
450.05444	1.1
451.03003	0.2
457.25772	0.4
467.06036	0.2
475.03006	1.0
475.27002	0.7
493.04172	8.4
493.28122	4.9
494.04349	0.9
494.28366	0.2
511.29141	100.0
512.29492	8.0
535.09088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03455	0.3
59.01378	1.2
59.83780	0.2
65.03941	0.4
69.13345	2.0
71.05032	0.3
80.02694	1.7
81.03458	2.0
83.01382	0.4
83.05031	6.7
84.02171	1.2
85.31531	0.3
85.50243	0.2
91.05477	0.3
91.31103	0.3
93.03481	1.3
95.05038	1.4
96.96035	0.3
97.06606	1.0
107.05070	0.3
109.06606	1.3
111.04539	0.5
111.08167	0.3
123.08164	1.2
125.09712	3.1
127.11332	0.3
135.08125	1.5
149.09734	1.5
163.11287	4.8
165.12863	2.9
171.10281	35.1
172.10628	1.0
181.12428	0.3
185.11830	2.6
191.10805	1.2
203.10863	0.3
203.14442	0.8
205.12347	0.5
207.10280	1.0
209.11841	100.0
210.12167	4.1
211.13550	0.3
219.13852	0.5
221.11876	1.4
221.15475	0.6
223.13347	1.9
225.11282	0.4
227.12891	8.7
228.13171	0.3
229.12341	0.8
231.13896	0.7
235.13341	0.5
239.12888	0.4
247.13393	10.3
248.13783	0.4
248.28166	0.3
249.15005	0.6
265.14453	3.5
267.55829	0.3
321.17029	0.6
331.22791	0.6
339.18378	0.5
357.20642	0.9
373.23935	0.4
375.21527	2.0
375.25647	1.3
391.24435	0.4
401.23434	1.5
419.24414	1.4
431.24319	0.7
437.25485	1.0
449.25458	3.1
457.25900	0.4
467.26746	0.4
475.27081	3.3
493.28036	2.3
511.29190	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.3
80.02681	1.2
81.03446	1.4
83.05026	6.6
84.02193	1.0
93.03454	1.3
95.05038	1.4
97.06631	1.1
98.21846	0.8
109.06579	1.2
119.92569	0.5
123.08171	0.7
125.06158	0.5
125.09731	2.8
135.08160	2.1
138.01991	1.2
147.11743	0.5
149.09723	1.7
163.11298	4.4
165.12845	2.0
171.10283	32.5
172.10600	1.1
181.12311	0.5
185.11830	1.8
191.10823	1.6
203.14522	0.7
207.10246	0.7
209.11845	100.0
210.12163	3.4
219.13876	1.2
221.11752	1.7
223.13446	1.3
227.12903	9.0
229.12320	0.8
231.13930	1.3
236.79306	0.5
237.14995	0.5
247.13420	10.0
265.14468	3.1
266.15012	0.6
292.82401	0.5
307.17401	0.5
321.16907	0.6
357.20715	1.2
375.21558	1.2
375.25595	1.2
391.24979	0.6
401.23300	1.9
419.24594	1.3
431.24454	0.8
437.25342	1.2
447.14999	0.5
449.25595	2.9
475.27118	3.1
493.28177	2.7
511.28995	5.4
515.42047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2913
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
51.66362	0.5
51.74840	0.4
57.03453	4.4
59.01387	5.1
61.98813	0.6
69.03448	0.8
71.01391	2.7
71.05055	2.2
73.02948	1.4
74.95235	0.4
83.05037	14.3
85.02962	2.3
87.04552	1.1
89.02441	0.6
96.96021	3.6
97.02992	0.6
97.06615	0.8
101.02438	0.9
107.01411	0.7
107.05040	2.6
109.06615	0.6
115.07673	3.7
119.05064	0.7
121.06587	0.6
123.00923	0.7
123.04539	0.7
123.08175	0.8
124.01711	1.1
125.02451	1.7
125.06103	1.4
129.05600	8.2
135.04530	0.9
137.06099	0.9
141.09247	0.7
151.11201	0.6
152.01068	0.6
159.04491	0.6
159.10277	9.0
163.11360	1.2
168.04327	0.6
169.01453	1.1
173.11740	0.6
175.07582	1.0
179.10840	0.6
183.06734	1.1
183.13904	1.1
187.07573	0.7
199.09698	0.6
201.12874	2.3
203.14403	1.1
215.14304	0.5
217.15981	0.8
219.13907	2.0
221.09789	0.6
221.15536	0.5
225.11409	0.5
227.12828	0.9
229.12343	1.6
229.14482	2.5
233.15408	0.5
237.12852	3.5
240.06740	0.7
243.13998	0.7
245.11853	4.5
245.13977	0.8
247.13419	4.9
247.15605	0.7
253.15991	5.5
255.14001	0.7
259.13333	1.1
261.14951	1.6
263.12851	2.6
265.14487	5.3
269.15540	0.8
271.16913	2.4
277.14374	0.7
279.15933	1.2
287.16443	0.8
289.18127	1.9
297.14999	0.6
300.13754	0.9
302.67270	0.6
307.19116	0.9
315.16043	2.0
326.08801	2.4
333.17035	5.6
351.18121	3.7
390.97214	0.9
436.18851	1.1
451.14328	1.1
467.30157	1.8
475.26819	0.6
483.01791	0.9
493.28152	6.7
511.01736	5.3
511.29160	100.0
512.01929	0.6
512.29510	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	512.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71078	2.4
57.64226	2.0
59.01375	7.2
61.98825	4.8
68.33422	2.4
71.01397	4.1
71.43187	2.7
78.07990	2.1
85.02950	3.5
87.04458	2.3
88.04061	4.9
99.73910	2.2
101.02460	2.3
107.01367	6.5
123.00904	17.4
124.01662	8.4
125.02456	28.7
126.02795	3.4
131.03499	3.9
139.00409	3.3
151.00345	8.8
161.02370	3.0
168.00571	3.9
169.01436	38.8
172.96587	2.2
182.02264	3.0
211.02502	8.7
217.01492	2.9
218.10452	3.5
249.04007	2.2
257.00772	2.3
271.04572	16.3
275.02002	8.8
300.99835	18.4
302.00250	4.6
308.80688	2.6
313.05563	3.9
365.30905	2.3
391.03165	5.3
449.13034	100.0
450.13333	6.5
512.11359	9.1
513.08612	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	513.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78420	1.2
58.22727	1.0
59.01394	4.5
62.81325	0.9
71.01403	2.4
71.40594	1.3
82.95425	3.0
89.47829	1.0
90.39925	1.0
93.43500	1.0
97.02982	1.1
99.10909	1.1
101.02479	1.3
107.01408	6.9
109.02970	1.1
111.00883	3.0
113.02451	1.4
113.97674	1.2
119.03518	1.1
122.03712	1.6
123.00904	7.6
123.04546	7.7
124.01668	14.7
125.02469	47.1
136.98921	3.6
137.02380	1.1
139.00453	2.6
140.01170	2.4
145.02940	1.8
149.02486	1.2
150.03261	9.1
151.00398	5.3
151.02831	2.0
151.04013	17.9
162.03230	1.6
163.03984	2.9
165.01973	2.1
165.05569	3.4
166.99826	1.2
167.03545	1.3
168.00679	18.2
169.01448	83.9
170.01779	1.9
170.31020	1.3
181.05098	2.1
199.06245	1.1
211.02496	57.4
212.02916	3.0
241.03700	2.2
271.04626	100.0
272.04919	5.1
300.99802	1.2
313.05814	5.8
313.09052	1.3
331.06732	32.6
331.10638	1.7
343.06631	1.2
361.07880	2.0
385.07947	6.5
423.05679	1.4
465.10410	39.4
465.16977	1.9
466.10788	3.7
477.10181	1.6
495.11581	6.1
513.13544	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	513.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25270	1.1
57.03452	32.5
59.01386	47.8
61.98831	6.4
68.99864	1.1
69.03476	2.4
69.09180	8.7
71.01385	12.0
73.02953	10.8
78.91882	2.1
79.01910	1.5
81.03468	2.7
83.01401	5.1
83.05019	2.3
85.02961	6.2
87.00893	1.5
89.02461	5.2
95.01396	4.5
96.96039	1.9
97.02986	2.7
97.54924	1.0
99.00867	1.2
99.04526	28.3
101.02449	20.1
102.42447	1.1
107.01408	12.1
110.29845	1.1
111.00878	1.9
113.02491	5.6
114.85753	1.0
122.33328	1.1
123.00896	19.6
123.04554	1.6
124.01690	7.3
125.02458	75.5
126.02822	2.0
128.03497	2.2
135.04527	1.8
135.08145	2.6
137.09718	15.2
139.00400	3.8
139.04066	1.9
140.01202	2.3
141.01947	4.7
143.03554	1.4
151.00417	10.0
151.04044	1.1
153.01970	2.3
155.10794	60.4
156.11053	1.9
160.64162	1.1
161.04564	5.9
168.00676	5.4
169.01436	100.0
170.01825	1.2
179.03471	1.8
179.10814	4.6
181.08714	1.7
183.03055	2.8
193.01413	2.2
199.09770	68.7
200.10236	2.1
211.02522	6.0
223.09764	28.8
241.10776	3.3
271.04758	1.9
271.11911	9.0
285.00458	1.8
301.12943	28.3
313.05838	2.0
361.15002	35.0
361.18820	7.4
362.15482	1.5
453.13785	2.0
453.34839	1.3
495.29651	2.2
513.16504	55.2
513.31226	8.7
514.15491	2.0
514.22137	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	513.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	8.7
69.20403	24.8
71.01381	4.7
73.02917	4.1
97.42139	4.0
99.92564	4.8
118.16029	4.8
124.94376	4.5
125.02445	9.1
132.80754	4.2
139.00398	7.9
140.01126	4.7
151.00369	4.2
153.01941	7.3
154.02727	14.3
155.10789	8.8
169.01427	16.0
169.05067	9.4
177.71159	4.5
184.52040	5.5
199.09724	6.8
333.98889	4.4
345.25925	4.0
477.28748	6.9
513.19659	15.3
513.26202	100.0
514.26752	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	513.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
60.92598	0.3
61.52975	0.3
61.98829	1.2
69.29109	0.9
69.29517	0.9
71.01390	1.6
71.05019	0.6
73.02951	8.9
83.05048	0.5
85.02953	1.1
89.02485	0.5
95.05038	0.9
96.96020	1.5
97.06583	0.5
99.04533	1.5
101.02416	0.5
113.02499	0.5
113.06077	1.0
121.06600	0.8
123.08183	0.4
125.02439	0.7
134.07387	0.4
135.08153	0.7
137.06096	4.2
139.07620	0.7
149.05994	0.3
149.09734	10.6
150.10126	0.4
161.09747	1.2
169.01416	0.5
171.08151	2.6
175.07707	0.8
175.11342	0.5
177.09221	9.2
178.09622	0.3
179.10732	0.6
187.11307	6.3
189.09239	0.8
190.09984	0.6
203.10802	1.7
203.14389	2.5
205.12305	3.3
215.10709	0.6
220.11037	0.7
221.11781	1.6
223.13383	7.1
233.11905	0.8
351.21753	0.9
367.26160	0.5
382.16794	0.3
389.24854	0.3
395.25934	0.8
439.09189	0.3
460.34521	0.4
467.27997	2.1
469.29596	0.8
513.28589	100.0
514.28949	9.5
527.26532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.286
Annotation	fijianolide A
Peak:m/z	Relative Intensity
59.01380	2.8
60.92598	0.3
61.52975	0.3
61.98829	1.2
69.29109	0.9
69.29517	0.9
71.01390	1.6
71.05019	0.6
73.02951	8.9
83.05048	0.5
85.02953	1.1
89.02485	0.5
95.05038	0.9
96.96020	1.5
97.06583	0.5
99.04533	1.5
101.02416	0.5
113.02499	0.5
113.06077	1.0
121.06600	0.8
123.08183	0.4
125.02439	0.7
134.07387	0.4
135.08153	0.7
137.06096	4.2
139.07620	0.7
149.05994	0.3
149.09734	10.6
150.10126	0.4
161.09747	1.2
169.01416	0.5
171.08151	2.6
175.07707	0.8
175.11342	0.5
177.09221	9.2
178.09622	0.3
179.10732	0.6
187.11307	6.3
189.09239	0.8
190.09984	0.6
203.10802	1.7
203.14389	2.5
205.12305	3.3
215.10709	0.6
220.11037	0.7
221.11781	1.6
223.13383	7.1
233.11905	0.8
351.21753	0.9
367.26160	0.5
382.16794	0.3
389.24854	0.3
395.25934	0.8
439.09189	0.3
460.34521	0.4
467.27997	2.1
469.29596	0.8
513.28589	100.0
514.28949	9.5
527.26532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2861
Annotation	fijianolide A
Peak:m/z	Relative Intensity
59.01390	2.0
71.05026	1.7
76.40636	0.4
84.77747	0.4
86.70483	0.4
93.03466	0.7
95.05054	2.1
96.96014	1.0
97.06548	0.5
98.22608	1.0
109.06579	0.8
111.04478	0.5
113.06091	1.0
121.06608	6.3
123.04790	0.5
137.06184	0.4
140.01144	0.7
149.06110	6.3
153.19759	0.5
155.03534	0.6
161.09685	0.6
163.07646	1.2
170.07356	0.6
179.10762	3.6
185.09758	2.8
187.07648	1.7
188.08470	0.5
203.10800	8.6
203.14464	1.5
215.14398	0.7
221.11900	2.0
251.12854	0.5
268.74963	0.4
312.92850	0.4
339.00110	0.5
392.23480	0.6
403.26459	1.7
405.24313	1.9
406.25223	0.5
413.23349	0.7
419.25867	0.8
421.27612	3.3
467.27991	2.5
513.28625	100.0
514.28906	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	513.2862
Annotation	fijianolide A
Peak:m/z	Relative Intensity
59.01385	4.9
61.98835	1.2
65.45885	0.4
68.14782	0.5
71.01387	2.4
73.02954	11.7
77.59366	0.4
81.03445	0.6
82.61747	0.4
83.05047	0.4
85.02934	1.3
87.00880	0.5
89.88022	0.4
95.01422	0.7
95.05034	1.6
96.96008	1.4
97.06594	1.7
97.31832	0.4
101.02443	0.9
107.01427	0.5
111.00941	0.5
113.02428	0.6
113.06087	0.6
121.06607	0.5
123.00917	0.5
123.08167	0.4
124.01707	0.6
125.02428	1.4
127.28689	0.4
134.07327	0.5
135.08174	0.5
137.06078	3.0
149.09735	12.7
149.10867	0.9
159.08083	0.4
169.01421	1.2
171.08171	5.0
175.07642	1.0
177.09227	12.2
187.11299	12.0
189.09193	0.9
190.09975	0.8
201.12901	0.6
203.14322	0.6
205.12337	0.8
209.11783	0.4
217.16109	0.5
220.11053	1.2
223.13403	7.9
232.74883	0.4
233.11880	1.2
243.17593	0.5
269.10986	0.4
271.16959	0.6
300.99908	0.7
310.04617	0.6
311.05569	0.6
329.05161	0.4
351.21912	0.4
361.05835	0.7
367.26364	0.6
389.24875	0.6
395.26080	1.6
441.30368	0.7
467.28186	0.7
469.29758	0.8
513.28607	100.0
514.28992	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2863
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.68785	0.7
59.01379	5.4
61.98824	0.7
71.01376	3.9
71.43680	1.0
73.02949	1.7
83.05024	1.9
89.02463	1.5
96.95989	0.8
97.06606	1.4
101.02460	2.0
113.02534	1.1
123.08176	2.0
125.09764	1.4
139.11327	1.2
149.04526	1.0
161.04546	1.5
161.09741	0.8
163.11342	0.8
165.12813	1.1
167.10811	2.5
183.13931	2.2
185.11873	4.5
209.11842	5.2
227.13013	1.1
285.13409	0.9
289.65308	0.6
303.14389	1.7
347.24139	0.9
363.26874	5.2
377.24698	2.1
379.26160	1.4
379.30243	2.4
381.22803	2.0
381.27853	1.2
391.26581	1.3
395.25757	3.8
397.31094	3.3
423.29114	10.5
424.29501	1.4
439.28751	1.3
441.30188	3.4
451.28983	1.0
467.27924	1.2
469.29666	5.3
495.27621	7.7
495.50247	0.8
513.28503	100.0
514.28717	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	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63512	0.2
54.41409	0.2
55.01891	0.2
59.01385	8.0
61.98833	0.4
71.01389	4.4
73.02959	1.2
83.01363	0.7
85.02954	1.1
87.00899	0.6
89.02458	3.6
91.03966	0.2
95.01386	0.4
99.00921	0.3
101.02451	4.4
102.31341	0.2
113.02460	2.3
119.03538	1.1
119.27192	0.2
125.02468	0.2
133.05054	0.5
137.39311	0.2
138.10356	0.2
143.03534	0.3
160.15767	0.2
161.04546	2.0
179.05615	0.5
193.01231	0.2
198.63728	0.2
233.22728	0.2
235.08237	0.8
253.09303	15.9
259.20526	0.2
275.20169	0.4
277.21741	100.0
278.22061	5.2
412.25977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3074
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
58.00594	3.1
59.01381	4.1
61.98836	2.2
66.28067	0.4
69.03463	1.0
69.59924	1.5
71.01376	2.2
71.05022	3.2
73.02966	0.6
76.62801	0.4
76.94957	0.4
83.05032	31.4
84.02168	0.3
84.05342	0.4
85.02982	2.2
85.03394	0.4
87.04548	0.7
87.08170	1.0
89.02460	2.5
89.02924	0.4
91.05542	0.9
95.05042	1.6
96.96047	0.9
97.02966	0.5
97.06602	3.2
99.04509	1.3
99.78609	0.4
101.02428	0.9
101.06049	0.7
107.05017	1.0
109.06597	2.8
113.02466	1.0
115.07655	4.6
119.03497	0.9
121.02946	0.5
123.00909	0.6
123.08170	2.1
124.01687	0.6
125.02440	1.2
125.06071	0.5
127.07669	9.4
129.09235	0.6
131.03516	1.3
135.04550	2.1
135.08099	0.5
141.01952	0.6
141.09209	1.1
153.05571	0.8
159.10275	20.0
160.10625	0.5
161.04640	0.5
163.11343	3.0
166.06377	1.3
169.01408	1.4
171.05161	0.8
171.06642	15.5
181.08755	0.5
181.12363	1.3
186.07161	0.4
255.11949	0.3
335.18683	0.8
341.23254	0.7
477.29333	0.5
495.29694	24.4
496.30008	1.8
513.30713	100.0
514.31104	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	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
55.03114	0.2
57.03432	0.3
59.01384	8.2
70.98872	0.3
71.01385	5.3
73.02947	1.2
83.01380	0.7
83.05000	0.2
85.02953	1.4
87.00889	0.8
89.02445	3.8
92.56602	0.2
95.01398	0.5
97.02979	0.3
97.05322	0.2
97.06586	0.3
98.01495	0.2
99.00878	0.4
99.04516	0.3
101.02448	5.0
103.04031	0.3
113.02474	2.5
119.03495	0.8
125.02385	0.2
127.07674	0.3
129.01947	0.3
133.05077	0.4
143.03528	0.6
152.99582	0.3
157.05092	0.2
161.04596	1.8
169.03841	0.2
179.05617	0.6
233.22734	0.4
235.08252	0.8
253.09293	16.3
254.09618	0.4
257.88922	0.2
259.20593	0.6
268.33322	0.2
277.21735	100.0
278.22110	4.9
324.72778	0.2
328.89917	0.3
409.17990	0.2
490.10999	0.2
513.32874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06913	1.5
59.01374	1.3
59.61750	1.3
60.00496	1.3
82.11982	1.3
98.22723	2.1
113.62513	1.7
173.66251	1.5
199.75711	1.4
226.57413	1.4
272.14896	1.5
289.99850	1.5
446.91882	1.4
449.65686	1.9
455.35330	70.5
456.35275	4.8
513.31061	100.0
514.31805	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	514.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44782	0.2
57.03444	0.2
59.01387	5.9
61.98837	1.3
63.99258	0.3
66.39436	0.2
68.02542	24.2
69.25768	1.1
71.01394	1.1
73.02956	0.9
74.84593	0.2
83.01398	0.3
85.02966	0.4
89.02449	0.3
91.01919	0.3
99.00869	0.4
101.02454	1.2
113.02460	0.7
119.03502	0.2
123.00875	0.2
125.02460	0.4
126.99579	100.0
127.99921	1.7
158.92169	0.2
161.04558	0.4
169.01402	0.4
183.10269	0.4
232.77592	0.2
275.01959	0.5
275.11459	0.3
279.37283	0.2
300.99908	0.8
315.31165	0.2
364.56232	0.2
400.90268	0.2
482.19427	0.3
514.21893	0.2
515.30267	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67767	0.1
51.71733	0.1
59.01382	0.5
61.98833	100.0
62.98538	0.1
67.54198	0.1
69.35814	0.5
71.11691	0.1
74.72461	0.1
94.03024	0.2
96.96043	0.1
124.01680	0.1
132.05524	0.1
132.39842	0.1
136.57391	0.1
169.01491	0.1
241.09959	0.1
248.41081	0.1
313.11948	0.2
315.13840	0.1
438.16412	0.1
447.55573	0.1
454.33676	0.7
514.19324	0.1
514.32404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57286	50.0
70.33038	100.0
78.22279	49.9
81.34275	46.2
88.58267	49.4
91.52999	44.4
98.22594	62.9
129.21124	49.3
164.81967	45.7
324.94980	51.7
352.59543	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23239	2.5
57.03453	3.2
58.41944	2.6
59.01382	70.4
70.64870	3.2
71.01389	46.4
75.00890	4.5
77.88981	3.3
85.02969	10.4
87.00861	4.0
89.02446	54.8
89.02953	4.3
93.03478	8.7
96.96009	6.7
96.96968	4.9
101.02441	22.9
104.71989	3.0
111.04499	3.8
113.02483	16.4
119.03520	15.1
129.01941	5.3
129.70790	2.7
135.04515	4.4
137.02478	5.1
142.99872	16.0
143.03477	3.5
161.04501	6.7
172.90036	3.8
173.00920	7.3
173.04535	13.9
179.05600	27.5
191.03506	6.6
197.01047	2.9
214.73822	2.8
217.01494	3.6
225.32803	2.7
245.00803	4.0
247.02489	23.6
273.00522	10.0
341.10928	100.0
342.11414	3.9
351.47504	2.7
359.62909	2.8
453.06641	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	515.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.0
59.01383	30.8
61.98813	3.8
67.01888	2.0
69.59538	3.0
69.59923	4.4
71.01386	11.4
73.02959	3.4
78.95900	3.5
79.01873	2.1
80.03623	1.5
81.43191	1.4
82.95425	2.4
83.01386	2.3
84.95106	3.9
85.02931	4.4
87.04514	1.7
89.02428	5.0
95.01367	2.3
97.02950	2.6
98.22694	1.6
99.04507	2.9
100.17131	1.6
101.02431	12.1
107.01402	9.9
111.00900	1.6
111.08165	3.0
113.02428	4.8
115.92091	2.0
116.92868	2.3
123.00880	16.6
124.01646	4.2
125.02460	63.0
137.12801	1.6
139.11305	45.5
141.01929	2.6
151.00380	7.9
161.02452	1.8
161.04533	2.8
168.00633	3.4
169.01443	85.4
170.01820	1.8
181.12308	5.3
183.10291	25.9
193.01349	1.8
201.02080	2.1
201.11345	100.0
202.11604	2.0
203.03415	1.9
211.02414	4.7
215.12901	9.8
225.11359	18.9
243.12428	12.1
273.13312	7.2
275.01831	5.7
299.99005	3.1
300.99979	9.8
303.01166	2.1
303.11063	2.6
303.14511	29.9
363.16641	35.8
364.17053	1.9
391.02994	2.3
466.53189	4.8
515.17456	65.4
515.29156	5.6
516.17682	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	515.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.0
59.01383	30.8
61.98813	3.8
67.01888	2.0
69.59538	3.0
69.59923	4.4
71.01386	11.4
73.02959	3.4
78.95900	3.5
79.01873	2.1
80.03623	1.5
81.43191	1.4
82.95425	2.4
83.01386	2.3
84.95106	3.9
85.02931	4.4
87.04514	1.7
89.02428	5.0
95.01367	2.3
97.02950	2.6
98.22694	1.6
99.04507	2.9
100.17131	1.6
101.02431	12.1
107.01402	9.9
111.00900	1.6
111.08165	3.0
113.02428	4.8
115.92091	2.0
116.92868	2.3
123.00880	16.6
124.01646	4.2
125.02460	63.0
137.12801	1.6
139.11305	45.5
141.01929	2.6
151.00380	7.9
161.02452	1.8
161.04533	2.8
168.00633	3.4
169.01443	85.4
170.01820	1.8
181.12308	5.3
183.10291	25.9
193.01349	1.8
201.02080	2.1
201.11345	100.0
202.11604	2.0
203.03415	1.9
211.02414	4.7
215.12901	9.8
225.11359	18.9
243.12428	12.1
273.13312	7.2
275.01831	5.7
299.99005	3.1
300.99979	9.8
303.01166	2.1
303.11063	2.6
303.14511	29.9
363.16641	35.8
364.17053	1.9
391.02994	2.3
466.53189	4.8
515.17456	65.4
515.29156	5.6
516.17682	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	515.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10306	7.3
55.97839	6.7
59.01389	39.1
61.98841	15.4
69.43383	32.7
71.01379	12.9
81.09559	7.5
98.22666	14.2
113.02481	9.2
123.00886	15.1
124.01679	13.3
124.66915	8.5
125.02464	24.2
128.07451	7.4
135.29788	8.5
169.00168	9.4
169.01466	33.1
211.02571	32.0
262.24094	9.4
263.07880	8.3
263.16437	8.8
271.04642	59.4
300.99915	15.0
331.06573	13.9
370.86148	7.3
479.30051	34.5
515.20776	33.3
515.27814	100.0
516.27722	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	515.2786
Annotation	Sampsonione Q
Peak:m/z	Relative Intensity
52.36411	4.1
53.78966	4.7
59.01378	6.2
59.23835	4.4
69.14861	33.9
83.22386	4.8
121.02987	17.0
123.00863	11.5
124.01648	9.3
125.02477	11.4
168.00713	6.6
169.01457	15.0
301.00006	12.0
342.57434	5.3
345.97202	5.3
353.10397	6.0
421.40897	5.7
479.29953	5.5
515.20612	66.4
515.27814	100.0
516.28625	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	515.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67592	2.4
53.05248	2.5
57.03454	3.0
59.01392	4.1
61.98835	5.1
64.57537	2.5
65.83438	3.0
71.01381	5.8
82.79316	2.6
87.04571	3.2
93.21414	2.7
98.61880	2.6
113.06122	2.8
116.92878	3.3
123.00909	3.8
123.93895	3.3
125.02444	8.8
169.01482	5.0
189.12244	2.7
190.44505	3.2
212.26782	2.7
227.14427	5.6
228.39944	2.6
261.15051	3.4
263.16531	78.1
289.51215	2.8
479.30200	100.0
480.30331	9.5
515.20819	11.8
515.27832	56.2
516.27991	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58808	1.0
59.01375	4.3
61.98824	1.1
65.79611	1.0
66.90633	1.2
68.02314	0.8
70.32867	1.8
71.01368	1.3
71.05030	1.9
71.65971	0.8
83.05023	1.8
98.21931	1.8
104.09302	1.0
106.00527	1.0
175.49004	1.0
194.14867	1.1
211.18568	1.0
320.13385	1.0
323.91589	1.0
365.28564	2.6
381.31839	2.3
383.29742	1.6
395.29413	1.3
407.29694	3.1
425.30777	21.3
441.30301	3.8
443.31738	7.9
453.29965	2.6
469.29462	1.2
471.31113	7.1
497.28860	8.5
515.30157	100.0
516.30194	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	515.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
59.01386	3.7
61.98817	0.3
70.52174	0.6
71.01384	1.1
71.05028	26.8
72.05332	0.4
73.02956	1.7
77.47378	0.4
83.05023	1.0
85.06588	1.0
87.00925	0.3
96.96030	0.5
101.02459	0.4
111.04516	0.6
113.02422	0.4
125.02485	0.5
129.05594	2.1
149.09673	0.6
167.22986	0.3
169.01459	0.4
181.50345	0.3
191.99400	0.3
203.14314	0.5
209.11774	0.4
267.17529	0.6
299.98947	0.5
300.99963	0.6
321.22336	0.4
323.20242	0.6
333.18286	0.5
339.23199	0.8
345.22171	0.6
346.19415	0.7
347.19977	0.6
349.18018	1.3
351.23199	0.4
353.25000	1.6
361.21677	1.6
363.19470	0.6
363.23370	5.6
365.21204	0.5
366.21835	0.6
369.24768	0.4
377.21008	0.7
379.22729	1.2
380.23502	0.9
381.24390	19.7
382.24667	1.5
393.27682	0.4
395.22058	0.7
399.25287	2.2
405.28226	0.4
407.21982	0.4
407.29877	1.0
413.23657	0.4
435.29031	4.2
443.24240	5.0
444.24515	0.4
453.30096	12.5
454.30576	0.5
471.31259	1.2
473.29095	0.5
497.22293	0.3
497.29068	7.4
498.29660	0.9
515.30182	100.0
516.30566	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3017
Annotation	Adynerin
Peak:m/z	Relative Intensity
51.37881	0.4
54.29251	0.4
57.03440	0.6
59.01371	1.9
63.73032	0.4
71.01374	0.9
71.05025	1.3
73.02953	3.0
85.02956	0.4
95.05020	1.4
97.06582	0.5
98.03754	0.8
99.04534	1.4
121.06604	0.6
123.08172	6.6
133.06657	0.5
136.03244	0.5
147.08183	0.4
151.07626	1.0
171.08183	0.5
187.11285	0.7
203.14433	1.1
205.12390	0.8
208.91626	0.4
217.00217	0.5
353.24860	0.5
403.26187	0.6
405.28177	2.0
415.25021	1.3
421.27509	0.6
423.29324	0.8
444.04111	0.5
453.29871	0.5
469.29620	3.0
515.30176	100.0
516.30481	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	515.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15253	0.5
56.40217	0.5
57.03442	1.2
59.01371	2.1
61.98832	1.1
69.35855	0.7
69.36263	2.1
71.01381	1.9
71.05032	1.2
73.02568	0.7
73.02950	8.2
83.05010	0.7
90.43848	0.5
98.21942	0.8
102.12032	0.5
104.84449	0.6
105.07101	0.6
106.60233	0.6
121.06566	2.5
123.00973	0.5
124.01657	1.0
125.02489	0.6
133.06584	0.6
133.59880	0.5
140.80356	0.4
160.86534	0.5
161.09686	1.4
166.15034	0.5
167.94318	0.5
168.13612	0.5
171.08165	2.4
177.09320	0.8
179.10701	0.5
187.09720	1.0
187.11293	9.9
191.10808	1.6
203.10814	0.5
217.12289	0.6
223.13374	0.7
235.13457	4.1
246.12466	0.5
253.14436	7.3
256.94482	0.5
300.99805	0.6
338.23358	0.5
379.26208	0.8
388.04401	0.5
389.24707	0.9
404.87573	0.6
405.28323	0.7
435.29178	0.8
453.30313	0.8
469.29462	0.8
471.31326	1.7
473.20215	2.1
474.62924	0.6
482.95471	0.5
515.30157	100.0
516.30505	8.9
516.37573	0.6
523.27917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47858	0.2
57.03446	0.8
58.00584	1.1
59.01123	0.3
59.01384	4.2
61.98822	0.5
63.55861	0.2
69.03440	0.3
71.01021	0.5
71.01386	6.9
71.05027	0.7
72.99315	0.5
73.02950	17.0
81.03436	0.6
83.05016	1.1
85.02962	0.7
87.04523	0.4
89.02460	0.6
93.03445	0.3
95.05031	1.3
95.63741	0.2
96.96013	0.4
97.06586	1.0
99.04530	1.3
101.02436	0.9
109.02954	0.3
111.04511	1.1
111.08178	0.3
113.02440	0.5
113.06096	3.6
119.03448	0.3
121.06586	0.7
123.00898	0.5
123.08166	1.1
125.02446	1.0
135.08176	0.3
137.02435	1.1
137.06099	0.4
139.07657	0.6
141.09148	0.4
145.01349	0.3
147.08124	0.5
149.09740	0.5
152.01073	0.3
161.09729	8.7
162.10008	0.3
169.01447	1.3
169.10152	0.3
171.08168	1.9
173.09660	0.4
175.03976	0.3
175.07639	0.5
175.11304	0.6
177.09232	0.3
177.12878	0.6
179.10770	3.7
187.00470	0.2
187.11284	3.8
187.12842	0.4
189.12903	0.6
190.10051	0.3
191.10806	0.4
199.11290	0.4
203.14424	0.6
205.12361	3.5
207.13963	0.6
217.12299	1.7
221.11789	0.5
223.13420	0.8
229.01343	0.3
233.11816	0.5
235.13358	1.9
241.15932	0.3
253.14455	5.0
254.14937	0.3
255.17584	0.5
275.02014	0.6
300.99857	1.3
349.21542	0.3
377.24454	0.4
379.26593	2.0
391.03125	0.5
415.25089	0.5
421.27344	0.3
435.29312	1.4
451.28781	1.5
453.30347	0.7
457.52509	0.3
469.29651	1.6
471.31207	1.2
515.30164	100.0
516.30493	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	515.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75068	0.4
57.03434	0.5
58.00592	0.8
59.01380	4.6
61.98832	1.1
62.31889	0.5
69.03455	0.6
69.50871	2.1
71.01389	6.4
73.02950	10.6
82.40672	0.5
83.05033	1.0
85.02962	1.0
89.02456	1.4
93.03451	0.9
95.05068	0.8
96.96017	1.4
97.06575	0.5
99.04503	0.8
101.02460	1.1
111.00922	0.5
111.04517	0.7
113.02423	0.7
113.06113	1.8
121.06672	0.5
123.00871	0.9
125.02455	0.7
137.02449	0.9
149.09720	0.5
161.09743	6.4
169.01416	1.3
171.08185	1.0
176.01202	0.5
179.10741	2.4
187.11288	3.5
190.02939	0.5
201.12794	0.5
203.14532	0.7
205.12387	1.9
207.13802	0.6
217.12292	0.8
223.13382	0.7
235.13351	1.5
253.14348	2.5
261.68661	0.5
299.51495	0.5
300.99930	1.5
379.26379	1.2
415.24820	0.7
430.31049	0.4
435.28738	0.7
451.28290	0.6
469.29535	5.1
470.29333	0.6
489.10107	0.5
497.20197	0.6
515.30151	100.0
516.30548	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	515.3021
Annotation	Adynerin
Peak:m/z	Relative Intensity
52.96534	0.3
57.28069	0.4
59.01382	4.1
60.99337	0.4
69.41956	1.8
71.05027	3.1
83.05017	1.3
85.02940	0.5
93.31763	0.3
171.10281	0.9
209.11807	0.4
210.33955	0.4
363.27130	0.6
365.28412	2.1
381.31760	2.2
383.29474	1.4
393.27911	0.5
399.32748	0.9
407.29794	2.3
409.31546	0.6
411.29050	0.4
425.30865	20.6
426.30890	1.7
439.28174	0.8
441.30130	3.3
443.31689	7.7
444.32355	0.4
453.30148	2.9
454.30231	0.5
469.29626	1.4
471.31250	7.5
472.31400	0.8
487.31207	0.5
497.29144	7.8
515.30157	100.0
516.30579	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	515.3381
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
50.61884	0.3
51.85732	0.4
59.01384	0.9
62.96798	0.3
70.90708	0.4
70.91032	0.3
71.01386	0.5
88.76656	0.3
113.02483	0.4
126.99580	10.0
127.02058	0.4
136.53479	0.4
146.62813	0.4
151.34715	0.3
174.57523	0.4
201.74472	0.5
363.27243	0.6
376.91718	0.5
379.29999	1.0
407.29413	0.5
409.31049	0.8
437.30655	0.7
479.76752	0.4
515.33820	100.0
516.34161	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	516.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26706	1.3
61.98838	8.0
71.01376	4.0
71.62300	1.2
83.60045	1.7
85.02968	1.4
95.01397	1.5
95.27937	1.5
96.95971	2.1
98.22733	2.0
101.02432	2.0
107.01379	5.9
113.02477	2.2
119.24434	1.5
123.00878	10.6
124.01683	19.3
125.02458	35.2
135.04559	2.6
138.03166	1.3
139.00395	2.5
139.04010	5.6
141.01947	2.4
142.63516	1.6
151.00426	7.0
166.99820	1.2
168.00609	4.2
169.01440	37.5
173.02467	1.5
175.04079	1.7
182.61955	1.3
183.03026	3.0
185.02577	1.4
201.01866	1.7
229.01387	3.2
242.99384	1.6
245.70125	1.6
257.00903	3.7
275.01904	6.6
299.99115	3.8
300.96481	2.5
300.99933	52.2
302.00128	7.2
308.68451	1.4
312.99908	1.4
313.05646	9.1
315.01602	1.5
343.01172	2.3
356.95667	4.0
379.92520	1.5
398.96951	1.7
453.10425	100.0
454.10770	6.0
515.17645	2.0
516.18115	3.2
517.19098	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	516.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	31.7
61.98830	1.1
68.02535	3.9
68.24501	0.8
69.49038	2.4
69.49427	2.1
71.01388	11.6
73.02931	2.7
83.01414	1.4
85.02951	3.7
89.02473	7.5
94.46783	1.0
94.96666	0.8
99.00878	2.0
101.02429	5.3
113.02464	4.3
119.03510	2.4
126.99580	100.0
127.99927	1.8
145.01436	5.2
161.04593	3.6
166.09868	14.7
179.05551	1.1
209.61736	0.8
229.08731	1.7
516.19470	1.6
516.30872	1.4
517.31384	2.2
532.06525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	96.6
69.14295	93.7
69.14716	73.4
71.01377	92.3
88.49909	20.9
98.22678	59.1
101.02447	27.3
236.37727	25.2
283.13422	33.2
455.31348	24.1
459.27335	26.4
471.31158	25.5
516.29932	75.4
517.31616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81136	0.9
59.01385	69.7
71.01389	1.6
71.40322	0.9
71.59892	0.9
72.99329	1.1
73.02985	1.1
85.02953	1.2
87.00907	1.1
95.01339	0.9
113.02464	1.3
123.00894	4.1
125.02480	1.3
132.98174	2.7
138.03227	2.7
143.02055	0.9
145.01357	1.2
166.99812	1.2
168.15601	1.0
169.01411	1.4
174.99260	35.6
182.02188	3.9
197.04544	4.1
201.00905	1.0
201.02571	6.7
217.00308	100.0
218.00511	1.5
248.96056	2.2
275.02167	1.3
280.88943	1.0
290.97125	2.2
300.99915	9.0
302.00125	2.8
313.02341	1.6
332.98187	1.4
355.03342	3.2
359.01465	10.9
360.01468	1.0
374.99234	57.6
375.99612	2.5
397.04321	2.3
457.06943	2.4
474.22876	1.0
490.96646	1.5
517.32886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	65.1
60.53945	0.4
62.29302	0.4
64.82006	0.3
69.75684	1.3
109.95971	0.4
110.89711	0.3
132.98207	1.6
157.03528	0.9
165.62349	0.4
174.99258	29.4
201.02557	9.6
217.00307	100.0
218.00630	1.5
303.26825	0.5
359.01489	12.3
359.05957	0.6
360.01605	1.0
374.99231	56.9
375.99503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.099
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
57.03452	2.5
59.01384	17.9
61.98837	1.2
68.53978	1.0
71.01392	8.6
71.42651	1.1
73.02950	3.2
80.91679	1.8
83.01401	1.2
85.02965	2.5
87.00877	1.1
89.02473	5.9
95.01392	1.9
96.95979	1.7
97.02951	1.4
99.00879	1.6
101.02448	4.8
107.01418	5.3
111.00893	2.1
113.02457	2.4
116.92867	2.4
119.03497	2.5
123.00912	7.3
124.01662	11.1
125.02464	31.1
127.88676	1.1
135.04518	4.4
139.00381	2.0
140.01183	2.4
141.01892	1.5
145.01440	1.2
145.02982	1.1
147.04514	4.4
151.00401	5.4
157.02971	1.8
158.03749	18.9
159.04494	11.7
161.02428	2.4
161.04582	1.9
163.02429	1.2
163.06137	1.5
168.00642	6.7
169.01437	47.4
171.04495	1.1
175.04008	2.0
179.03508	2.6
179.05611	1.1
193.98592	8.5
194.99368	4.2
201.05478	2.2
202.02733	32.5
203.03459	2.1
211.02499	6.5
213.05609	2.6
241.03571	3.5
271.04541	4.9
274.01215	1.3
275.02020	3.9
297.06232	3.5
300.99969	2.3
301.05676	1.7
313.05740	10.9
365.08743	2.3
435.13046	4.6
438.03284	1.5
473.10919	100.0
474.11121	5.4
499.08633	1.4
517.09924	45.3
517.31830	38.5
518.10101	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82781	0.7
51.97563	0.7
52.74958	0.6
54.35344	0.8
59.01382	12.5
64.70110	0.7
70.69537	0.8
71.01386	1.2
85.02959	5.5
87.00880	2.8
93.03469	1.7
111.04593	0.7
113.02470	1.1
123.00903	1.6
125.02467	1.6
127.04007	1.6
131.08318	1.1
138.03259	0.9
167.99138	0.7
168.99930	0.7
169.01488	2.2
173.02853	0.6
173.10417	0.9
174.99290	3.3
191.05627	100.0
192.05907	1.4
201.02470	1.5
217.00301	15.9
239.09926	1.1
293.08768	0.8
300.99927	1.9
337.08127	0.9
343.06693	35.1
344.07202	1.5
359.01572	2.3
374.99167	7.0
379.08868	1.3
397.04645	1.0
397.09885	2.1
517.13776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32584	27.1
64.48457	31.8
65.27590	31.9
69.94917	100.0
71.67767	32.2
78.43456	27.8
85.32209	28.9
90.19706	37.5
102.54463	30.7
102.55418	29.3
126.16003	30.9
517.32404	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	517.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62161	0.9
57.03439	0.8
59.01384	100.0
61.98817	1.0
65.79002	0.7
69.25373	4.6
69.25702	0.8
71.01385	10.0
73.02953	6.5
83.01395	1.6
85.02947	3.7
87.00881	1.2
89.02473	8.1
91.94125	0.8
95.01385	0.9
101.02464	8.9
101.60474	0.7
113.02454	9.7
117.03510	0.9
119.03544	2.6
121.02975	1.8
125.02497	2.2
135.04614	1.1
143.03548	1.4
145.01584	0.8
145.02994	3.4
161.04610	3.9
163.04074	0.9
165.05612	1.2
179.03653	1.2
179.05595	0.9
204.68781	0.8
208.85571	0.9
246.39685	0.8
275.02054	0.9
307.08331	1.6
342.69937	0.8
397.22397	6.8
415.23743	2.9
449.47946	1.0
457.24387	0.9
517.31763	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	517.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03474	1.3
59.01386	100.0
61.98840	2.2
69.21519	1.4
69.21918	3.6
71.01386	6.2
71.05030	4.9
72.99319	0.9
73.02959	4.9
75.00878	0.9
83.01397	1.4
85.02967	2.3
87.00881	4.0
89.02450	3.4
95.01443	1.1
97.06609	1.4
99.00904	4.6
101.02474	5.4
113.02462	2.3
117.01991	1.4
121.02909	1.2
123.00921	1.7
123.08202	1.3
125.02467	2.5
130.99854	0.9
135.04506	0.8
145.01433	10.1
161.02524	1.2
161.04599	1.4
163.02504	1.4
169.01439	2.8
171.10350	1.1
192.05400	0.8
209.12007	1.1
254.04527	1.2
299.99286	1.3
301.00003	1.9
327.16092	1.6
347.23727	1.0
363.23126	1.0
371.24402	12.8
386.25842	0.9
391.53485	1.0
393.27777	0.9
397.22589	0.9
403.24915	1.9
517.23108	3.8
517.31793	66.4
518.24615	1.0
518.32025	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	517.3174
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
51.16687	0.5
53.32431	0.4
58.84339	0.4
59.01369	1.0
59.62590	0.4
61.98821	0.7
69.67593	2.0
71.01398	0.6
74.47507	0.6
93.84451	0.5
97.32417	0.5
101.69698	0.5
118.59554	0.5
120.61339	0.5
123.98599	0.4
148.93597	0.5
197.03508	0.5
204.21831	0.5
217.00488	0.5
300.40930	0.6
361.86658	0.5
390.95102	0.5
409.27487	7.1
410.27707	0.8
411.32584	1.7
423.29092	16.9
424.29370	1.4
425.30640	22.3
426.30899	1.7
429.33615	0.7
439.28580	0.7
443.31702	16.6
444.32089	0.9
446.34393	0.5
455.31708	8.0
456.32098	0.6
457.29547	1.1
469.29419	1.5
473.32730	1.0
487.30688	37.6
488.30865	3.2
517.31744	100.0
518.31982	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	517.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01382	85.5
60.01729	0.5
61.98841	1.2
68.02547	1.6
69.34618	1.8
69.35016	1.0
70.25430	0.5
71.01394	5.1
71.05034	3.2
73.02949	8.6
77.44777	0.5
83.01385	1.0
83.05036	0.6
85.02959	1.9
87.00895	0.5
89.02457	2.3
97.06612	1.7
101.02438	4.7
111.00925	0.5
113.02478	2.9
119.03479	1.1
123.04520	0.9
125.02448	0.9
126.99569	2.4
128.99301	2.6
135.04562	2.8
143.03523	0.7
145.01434	0.7
153.05632	1.1
161.04608	1.4
169.01413	0.9
171.08115	0.7
183.10286	0.6
187.11363	1.5
238.33710	0.5
253.10840	1.1
299.99146	0.6
300.99939	1.6
302.00546	0.5
327.15836	0.8
339.23386	0.7
351.23007	0.6
369.24326	2.2
381.24481	1.3
401.26984	1.1
445.26050	0.6
455.31451	3.2
487.29874	0.5
499.30548	1.3
517.31732	100.0
518.32037	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	517.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66922	0.6
59.01384	15.6
61.45035	0.6
69.03441	0.7
69.30268	1.1
69.30637	1.2
71.01387	3.7
71.05027	21.5
73.02959	2.6
76.23878	0.5
80.91674	2.7
83.05065	0.6
85.02954	2.2
89.02446	1.5
98.22648	1.3
101.02459	2.5
108.58188	0.6
113.02464	1.9
119.03526	0.9
119.08633	0.6
120.78850	0.6
123.00673	1.7
129.05579	1.8
145.01489	1.3
149.09799	0.8
153.12895	0.9
161.04488	0.6
165.12872	0.9
180.88582	0.5
183.06487	0.6
183.13916	2.4
208.95074	0.6
300.99689	0.8
319.20657	0.9
335.23740	8.3
336.24142	0.7
349.18002	0.6
353.24850	1.1
361.21701	0.8
363.23199	1.7
369.24347	0.9
381.24387	6.7
382.24869	0.7
389.28458	1.7
394.96191	0.6
401.27036	17.2
402.27457	1.2
435.22324	1.6
435.28867	0.9
445.25952	5.6
447.77737	0.7
455.31705	13.7
456.31989	1.4
457.20471	4.5
471.30051	0.7
473.32755	20.5
474.33191	1.6
499.30722	6.1
517.31653	100.0
518.32056	8.5
520.10614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09309	0.9
51.70700	0.6
57.03459	0.8
59.01386	19.8
61.98829	4.0
66.10628	0.7
66.35432	0.7
68.77116	1.0
71.01392	6.5
71.05031	1.7
71.69588	0.7
73.02949	4.8
83.01408	0.9
85.02960	1.6
89.02438	3.9
95.01376	1.0
96.96027	0.8
97.06578	1.2
99.00881	1.4
99.92573	0.9
101.02447	5.0
109.27668	1.0
113.02441	1.4
119.03481	1.2
119.62681	0.8
121.02883	0.8
123.00889	1.0
125.02473	1.6
143.39314	0.8
145.01437	2.9
156.05969	0.8
161.04594	1.2
169.01454	1.2
209.11932	1.1
251.16739	1.0
279.80954	0.9
300.99850	1.5
373.25668	2.7
389.28641	1.0
391.25824	1.0
455.31616	2.1
459.27762	2.8
469.29752	3.7
471.31442	1.4
473.33105	4.9
499.30667	1.4
501.62662	0.8
517.31750	100.0
518.32239	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	517.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20658	0.3
57.03434	0.5
58.71649	0.3
59.01379	5.2
61.98827	0.7
69.19444	1.8
71.01390	1.6
71.05025	1.4
73.02941	2.1
80.69083	0.3
83.05039	0.6
89.02458	1.1
97.06580	0.6
98.22637	0.6
99.00893	1.1
99.04507	0.5
101.02470	0.9
113.02470	0.4
117.01944	0.4
123.08138	0.6
125.02484	0.5
135.04547	0.9
145.01427	3.6
149.09731	0.3
155.08510	0.4
169.01494	0.5
169.10223	0.6
173.09695	0.4
185.09888	0.4
187.11255	0.5
188.02985	0.3
203.14426	0.8
217.16089	0.4
226.12032	0.4
256.36325	0.4
257.97583	0.3
263.50769	0.3
341.23227	0.4
353.95444	0.4
371.24323	4.2
372.24695	0.4
373.25687	0.6
379.26422	0.4
389.28796	0.5
405.28088	2.1
407.29572	1.1
417.26605	2.3
423.29181	1.2
425.30258	0.3
435.28766	0.3
453.30188	0.7
455.31879	0.8
471.31274	4.4
473.33008	0.8
499.30826	1.1
506.69183	0.3
517.31744	100.0
518.32074	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	518.094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69014	1.1
51.69259	1.0
59.01381	2.2
59.20683	1.0
69.70214	3.3
71.01387	1.9
79.01869	1.1
83.13561	1.1
85.02909	1.4
88.98773	1.2
91.96919	1.1
95.01399	1.6
107.01384	5.5
109.03019	1.4
113.02471	1.1
113.95264	1.1
123.00882	5.9
124.01643	4.2
125.02460	35.1
132.04582	1.6
139.00363	1.5
141.01935	1.5
151.00395	4.5
159.03252	13.4
160.04054	100.0
161.04405	2.6
168.00670	2.9
169.01442	46.7
173.46457	1.1
185.34486	1.2
211.02458	3.2
229.01305	1.6
249.04092	1.8
275.01956	4.1
300.99966	5.3
313.05676	12.7
322.09314	4.0
343.77722	1.4
429.10394	1.9
474.10455	75.5
475.10324	5.5
490.64511	1.2
518.09485	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	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23665	1.0
55.78941	0.8
59.01385	56.7
60.01705	1.8
61.98835	100.0
64.35888	0.9
69.35485	5.2
71.01385	9.1
71.05035	2.1
71.94296	0.9
73.02951	16.1
83.01388	4.4
85.02965	2.4
89.02441	6.4
95.01417	1.3
101.02452	13.7
113.02462	6.5
119.03500	2.9
123.00890	1.3
124.01641	1.8
125.02460	4.7
128.03487	1.2
131.03482	1.7
133.02765	1.0
134.15689	1.1
135.04478	1.1
137.09723	2.5
143.03510	1.9
149.04602	2.9
161.04597	5.8
169.01395	3.6
203.05609	1.1
211.02437	1.2
248.65280	1.0
266.16977	0.9
275.02051	1.1
293.09512	0.9
300.99661	1.3
303.43802	1.2
306.07837	2.2
415.23557	1.7
472.09091	1.1
517.31757	16.6
518.31995	40.9
519.18982	10.0
519.31940	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	518.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
64.31271	1.6
70.49869	1.6
80.53497	1.6
99.66333	1.6
107.16180	1.7
120.93195	1.7
293.21292	5.0
298.64032	1.5
341.92343	2.1
393.61911	1.6
426.23987	1.9
456.31854	2.0
518.31860	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	518.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38689	5.4
57.03423	6.6
59.01386	100.0
60.01693	6.3
61.98826	16.9
66.37859	6.0
68.42426	6.8
71.01387	23.4
71.41463	7.3
73.02953	10.6
75.19492	5.8
85.02964	20.0
89.02454	24.2
99.00868	7.7
101.02438	14.2
103.28808	5.5
107.01411	6.4
113.02473	11.6
116.92891	6.2
123.00912	13.7
125.02429	21.5
125.24902	6.3
135.04530	9.4
145.05090	6.9
169.01419	22.8
175.04036	7.9
177.01898	8.5
184.59081	6.0
275.01898	15.9
300.99878	15.9
387.21631	19.7
439.24844	14.4
457.25992	36.6
458.25854	7.0
475.27081	64.8
476.27826	7.8
518.32306	56.6
519.18848	12.9
519.32898	10.4
539.87341	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	519.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20401	9.5
59.01409	9.8
67.47128	9.2
70.04175	21.5
70.04526	9.7
71.01388	11.4
81.87042	8.7
83.60333	9.9
108.30480	10.3
123.00926	10.6
123.04514	10.1
125.02454	44.6
133.02946	26.8
135.04485	13.4
135.17445	8.9
151.04034	26.8
169.01453	77.2
177.01872	12.4
181.97549	9.8
193.01434	8.9
211.02545	28.4
257.00522	10.4
271.04684	25.6
275.02032	9.3
300.99948	18.8
317.33887	8.8
351.68768	10.3
423.05862	18.7
483.07718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92837	4.0
59.01366	5.7
69.18983	4.1
69.85329	10.1
69.85732	8.9
71.01394	6.4
72.97526	5.2
73.12127	4.7
85.02935	5.5
95.01396	41.9
101.02441	6.3
107.01374	6.1
113.02448	5.3
123.00900	70.2
124.01672	8.5
125.02467	100.0
141.95099	5.1
145.02943	7.1
147.04500	6.7
159.04684	5.1
161.02467	8.5
163.02650	5.2
163.04034	5.0
164.01195	5.5
169.01440	98.8
173.02461	7.6
175.04036	10.5
177.02077	5.7
185.02429	5.2
189.01845	6.2
190.02708	5.9
191.03476	6.5
193.01500	6.0
201.01906	15.8
202.02579	5.5
203.03513	11.5
209.78186	4.6
211.02414	6.6
219.03090	8.2
229.01404	19.2
230.02090	7.4
231.02919	11.2
242.02507	4.7
245.00887	7.3
249.03951	5.8
257.00916	9.4
258.01767	9.3
259.02267	5.9
273.00430	13.0
274.01108	15.8
275.02002	66.1
276.02451	9.1
299.99017	8.3
300.99969	39.1
302.00259	9.5
314.00729	22.0
315.01266	5.6
327.01465	15.0
331.06845	9.4
344.03275	10.2
353.03650	10.8
357.07654	5.6
366.03500	6.7
374.52582	5.8
375.03494	15.7
390.03854	11.3
426.04831	6.0
435.05777	6.8
458.37936	5.7
483.07819	75.6
484.08484	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	519.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59245	2.0
56.69912	2.2
59.01377	7.7
60.99306	16.8
62.10128	2.0
64.96189	2.0
66.06609	2.0
69.48480	3.4
69.48869	6.1
71.01369	4.0
74.39916	2.1
88.98813	100.0
93.03420	2.6
95.01369	3.8
107.01405	6.0
113.02408	2.4
121.17645	2.2
123.00874	8.7
124.01691	11.5
125.02459	35.1
139.00316	2.5
151.00354	3.7
160.04080	5.2
162.56604	2.3
168.00644	9.7
169.01442	54.4
191.03590	3.0
210.09882	2.1
211.02490	53.5
212.02866	3.0
219.02982	2.4
247.02405	2.6
249.04033	2.8
271.04620	74.7
272.04947	2.5
275.01956	6.8
276.27414	2.2
300.99908	7.5
331.06787	13.8
429.10400	87.8
430.10867	4.9
439.90750	2.4
449.89838	2.3
475.10834	2.7
483.11575	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.2
59.01385	13.6
60.01701	0.9
61.98835	100.0
62.43686	0.6
65.68699	0.6
68.02527	1.1
69.72598	0.6
70.74239	0.8
71.01382	2.2
73.02940	1.4
75.39439	0.6
85.02950	1.2
89.02449	1.4
99.04525	4.6
101.02460	2.0
101.84734	0.7
108.70889	0.6
113.02468	1.4
125.02473	2.0
126.99606	1.1
127.99928	0.7
128.98322	1.1
128.99292	20.7
129.99619	5.9
141.88083	0.7
161.04568	0.9
166.09903	2.4
167.10335	1.0
276.73288	0.7
322.06583	0.7
365.21732	0.8
380.69037	0.6
518.32574	0.8
519.32922	4.0
535.62079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87199	0.5
57.03452	0.8
59.01385	18.3
61.98826	0.7
67.01896	1.9
69.03443	1.0
69.12793	3.1
71.01383	6.6
72.99290	0.7
73.02938	2.0
75.00822	0.5
79.01881	0.9
83.01375	1.3
83.05033	2.0
85.02953	2.2
87.00875	1.5
89.02459	2.4
95.01380	2.8
95.75874	0.5
97.02937	1.3
98.21941	1.4
99.00865	1.2
101.02475	3.0
102.93389	0.6
107.01405	4.6
109.02958	0.6
111.00874	1.8
113.02461	3.0
115.00285	0.5
116.92878	0.7
119.03510	1.2
121.02972	32.2
123.00899	23.2
124.01690	11.4
125.02460	18.9
127.00363	1.0
136.98785	1.3
137.02483	1.3
139.00407	3.5
140.01202	3.6
141.01938	3.1
145.01379	1.1
145.06668	0.5
151.00381	10.6
153.01933	0.7
159.02983	0.5
159.04567	0.6
161.04515	1.2
165.01976	0.8
166.99849	2.7
168.00647	4.9
169.01430	25.3
170.01814	0.8
173.06137	0.8
175.04193	0.5
177.04050	1.6
179.03416	0.6
189.05782	0.8
191.07098	2.7
211.02463	2.6
217.05051	1.9
222.05664	0.5
234.05333	0.8
235.06134	4.5
251.59358	0.5
270.98849	1.0
271.04736	1.7
277.07187	4.2
298.98370	0.5
299.99081	3.0
300.99963	1.2
307.08380	0.7
313.05661	2.2
325.03235	0.8
337.09348	10.9
357.26440	1.1
379.04807	1.1
397.11411	26.0
398.12015	1.0
399.23962	0.8
417.25168	0.7
419.00836	0.5
443.61191	0.5
518.30847	1.0
519.15094	100.0
520.15454	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	519.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.8
61.98838	3.9
69.40497	12.0
71.01375	5.0
77.51286	2.6
95.01402	2.9
95.36895	3.4
101.02451	7.2
123.00883	13.0
124.01644	5.2
125.02446	11.7
133.02988	4.6
135.04608	3.1
136.01640	16.4
137.02429	3.8
151.00388	4.2
151.04048	28.6
159.69121	2.9
169.01454	16.2
177.05521	4.0
198.46999	2.9
204.23273	2.7
211.02423	5.8
271.04654	8.8
279.04865	3.4
299.99158	5.1
315.01746	5.1
356.12366	3.0
357.13513	25.8
393.97351	2.8
481.17538	3.2
483.18808	100.0
484.18884	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	519.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
60.15597	0.4
62.64991	0.4
69.03416	0.5
70.99302	0.7
71.01377	1.5
79.33221	0.4
85.02910	0.4
89.02448	1.1
95.01397	0.6
97.03004	0.6
101.02411	0.7
107.01393	3.1
111.00879	1.5
113.02409	0.5
123.00898	2.3
124.01662	15.2
125.02462	21.7
126.02736	0.5
127.00359	0.6
128.66093	0.4
133.29115	0.5
136.98813	0.9
137.02483	0.4
139.00356	1.1
139.03960	0.5
140.01183	1.5
141.02002	0.6
151.00375	1.3
156.99319	0.4
165.01910	0.9
167.03569	1.8
168.00645	12.8
169.01443	30.1
170.01793	0.4
171.38605	0.4
211.02496	61.5
212.02867	2.0
241.03575	1.6
271.04614	100.0
272.04922	3.3
331.06741	13.0
482.53076	0.5
519.18738	14.3
520.19220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.4
69.48705	2.2
69.49101	0.8
71.01382	2.8
73.02960	1.0
83.08658	0.4
85.02974	1.7
88.98838	0.5
89.02470	0.5
100.72490	0.4
101.02460	1.2
108.02206	1.2
109.02843	0.5
113.02483	1.4
116.10502	0.4
117.86815	0.5
121.02964	5.3
122.03761	3.5
123.00911	0.6
125.02451	0.5
125.29249	0.5
134.03775	0.9
136.01675	69.7
137.02406	1.8
145.98347	0.4
151.04019	100.0
152.04379	2.1
159.04498	0.7
160.05347	1.1
161.02493	0.8
161.04549	1.4
162.03204	1.5
163.04083	1.2
169.01469	1.0
175.07660	1.4
176.04742	0.5
177.05573	1.2
179.03604	0.7
189.05737	1.1
271.04449	0.7
311.13101	1.1
342.11154	4.8
357.13461	80.3
358.13773	3.8
519.33118	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	100.0
59.01387	99.4
61.98837	42.5
70.20327	3.6
70.20641	2.4
71.01392	9.3
73.02945	3.9
81.03457	4.3
83.01380	2.8
85.02940	3.0
89.02434	2.1
99.00881	2.1
99.04533	90.1
101.02463	19.2
113.02452	2.9
116.79920	2.0
122.63328	1.9
125.02466	33.0
128.99277	8.4
129.99626	2.5
145.01430	3.9
161.04630	2.6
163.03685	1.9
182.85124	2.0
312.86899	2.2
357.26517	3.3
357.86954	2.1
437.59079	2.1
452.45374	2.0
474.63782	2.0
519.33081	20.6
519.94958	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25493	72.5
57.60028	63.0
60.90442	48.1
70.33029	100.0
78.95898	57.8
88.00217	49.7
92.71526	49.7
98.22412	63.0
116.97246	51.9
139.78215	53.6
230.84099	51.7
236.71925	53.0
239.23921	54.7
480.74649	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.06528	3.6
69.06932	1.9
71.01389	5.2
73.02969	1.9
85.02925	1.3
87.00891	1.3
89.02451	2.1
95.01407	0.7
101.02470	2.8
113.02437	5.0
125.02444	0.7
145.01447	1.2
145.85706	0.7
161.04631	2.2
169.01376	0.7
215.54825	0.8
229.08832	1.1
377.59515	0.8
399.23895	12.4
417.25378	3.4
459.26602	2.6
483.18716	1.0
519.06104	1.4
519.34186	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	519.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01384	100.0
60.01713	1.7
69.89311	2.9
71.01388	8.3
72.16043	0.9
73.02953	4.4
81.75065	0.9
83.01399	1.0
85.02958	3.2
89.02464	2.4
94.98084	1.2
99.00922	2.2
101.02463	6.7
113.02435	2.9
119.03542	1.5
125.02464	1.9
135.04588	1.4
138.39507	0.9
145.01443	3.6
154.80687	1.1
161.04568	2.8
169.01549	1.6
243.09715	1.1
248.65753	1.0
373.26016	3.7
388.88818	1.1
399.23880	20.0
400.24127	1.1
417.24875	10.9
457.33441	2.7
459.26331	1.6
489.19232	1.9
519.05621	2.7
519.32788	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	1.1
55.78755	1.0
59.01387	100.0
60.01715	2.0
61.98829	2.2
62.59667	1.1
63.84986	1.2
69.03415	1.1
71.01399	10.0
73.02950	3.3
77.43066	1.2
83.01396	2.6
85.02975	5.1
89.02460	3.9
91.25467	1.1
94.98103	1.5
99.00900	2.8
101.02448	7.6
113.02457	3.2
119.03503	1.7
125.02478	2.3
126.90588	1.9
145.01451	8.9
161.04596	1.9
169.01630	1.3
183.21031	1.2
220.85156	1.2
281.08240	1.8
282.08975	1.2
299.99313	1.9
305.08499	1.1
325.70734	1.1
357.26547	1.4
373.26016	9.1
375.27457	1.4
399.23993	14.9
417.24866	10.5
425.30701	1.6
457.33145	3.4
459.26019	1.9
489.19098	5.7
491.06464	1.6
519.05847	4.6
519.20062	3.1
519.32501	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	519.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98857	0.4
69.24986	2.2
71.01402	0.6
74.93879	0.5
78.48600	0.4
84.95123	0.7
89.02524	0.6
112.84473	0.5
179.38153	0.5
283.82022	0.6
319.16803	0.5
319.68237	0.5
459.27835	1.9
489.19345	1.3
519.20398	1.6
519.33545	46.4
520.34326	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	519.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.1
59.01386	1.0
61.98838	0.8
64.89101	0.5
73.02944	5.1
76.59880	0.6
98.21881	1.5
119.08646	1.0
124.01773	0.6
150.58757	0.5
171.24409	0.6
208.38321	0.8
216.07774	0.6
255.04153	0.6
277.74377	0.7
300.68695	0.5
304.25217	0.6
305.67801	0.6
373.28897	2.5
375.26886	0.7
391.29938	0.9
392.27374	1.0
407.29623	1.8
409.31140	0.9
421.30750	0.9
439.32245	10.3
441.33954	1.5
457.33307	1.2
458.58038	0.7
473.32593	2.3
485.32748	100.0
486.33096	8.4
487.33511	1.2
501.32346	6.1
519.05640	1.0
519.33295	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	519.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.8
59.01391	3.2
61.98830	1.5
71.01391	1.4
73.02953	7.6
99.04518	3.0
101.02465	1.2
101.98254	0.7
121.80477	0.7
125.02441	3.0
145.01439	1.3
169.06009	2.6
213.05092	1.9
375.27185	0.9
377.28729	1.4
389.28748	1.9
392.27222	2.3
407.29489	8.9
409.31293	1.0
420.98260	1.2
439.32187	2.3
457.33707	0.9
461.28958	6.7
469.29779	2.1
485.32751	100.0
486.33121	9.2
491.06323	0.8
501.32233	4.5
519.05719	1.9
519.33331	11.9
520.33356	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	519.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
59.01372	2.2
61.98810	0.6
69.23351	1.0
69.23764	2.3
71.01384	1.1
73.02952	7.2
74.93535	0.6
76.09252	0.5
98.21883	0.9
130.45265	0.5
145.01393	1.3
161.66600	0.6
223.92693	0.6
235.37373	0.5
249.54430	0.6
253.49985	0.5
319.93704	0.6
389.28824	1.2
391.30597	0.7
392.27094	2.5
404.27301	0.6
407.29581	7.6
409.31183	0.7
419.29501	1.6
439.32184	1.7
453.29849	1.2
469.29312	2.7
485.32755	100.0
486.33179	7.9
501.32187	3.9
519.33160	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	519.3332
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
59.01385	2.3
61.98843	0.3
67.20716	0.2
69.29344	0.8
69.29752	0.5
71.01386	0.3
83.73912	0.2
96.96971	0.3
100.38652	0.2
118.90339	0.3
123.00733	0.2
124.01689	0.3
125.02415	0.4
127.71980	0.2
130.92526	0.2
140.01248	0.3
155.03558	0.3
169.01505	0.4
175.03937	0.3
182.80635	0.2
276.60306	0.3
315.15985	0.4
333.17197	0.5
369.72034	0.2
388.92999	0.2
393.28055	0.8
395.29532	1.2
397.30942	0.4
406.42404	0.2
407.29703	0.3
423.29114	1.3
425.30627	1.1
441.26587	0.6
459.27475	0.7
483.18765	0.8
519.33325	100.0
520.33661	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	520.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54797	4.6
59.01380	40.0
61.98833	11.1
66.30965	3.5
85.02951	5.7
97.06578	4.4
104.35162	4.0
117.80332	3.5
123.00908	6.1
124.01658	5.7
125.02444	14.4
159.10289	4.2
160.84219	69.9
162.83907	14.9
169.01450	15.7
211.02475	6.4
211.57076	3.5
232.97073	4.2
252.85796	4.2
271.04581	14.4
283.26886	4.4
331.06744	10.0
347.18692	13.3
361.20203	5.2
386.27710	4.7
459.27621	4.7
461.29239	5.4
477.28452	100.0
478.28900	15.3
483.19086	5.1
484.01328	13.3
520.33960	46.9
521.20337	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	521.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
60.90710	1.0
61.48223	0.9
62.86837	1.0
69.35810	5.5
69.53751	1.1
70.59032	0.9
71.01383	3.9
76.86866	1.1
85.02969	1.1
88.98855	1.2
95.01353	1.1
96.61932	1.0
96.96062	1.1
97.43054	0.9
108.02179	12.4
109.02962	28.5
115.00386	5.4
119.05078	1.4
121.02952	4.3
122.03809	1.3
123.00896	1.6
123.04589	1.9
125.02456	2.7
133.02954	2.8
134.47345	1.1
135.04550	7.5
137.02452	3.7
147.04495	2.7
148.05293	1.5
149.06079	4.8
150.03136	1.0
151.04028	1.7
161.02353	1.5
161.06088	12.2
162.06911	2.5
169.01437	4.0
177.01970	3.8
179.03467	1.4
211.02449	1.9
213.05637	1.7
241.05078	4.3
242.05853	43.2
243.06636	14.0
269.08182	5.2
271.09778	100.0
272.10202	3.0
275.02042	1.9
277.00336	1.4
290.01364	1.1
300.99969	2.9
315.08740	10.2
330.77240	1.3
341.06973	1.3
359.07684	12.6
364.67093	1.2
405.12082	1.8
521.13025	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	521.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13229	0.5
52.28878	0.5
52.50025	0.5
52.69508	0.5
59.01381	4.5
69.03461	0.7
71.01372	2.1
72.99313	1.2
81.03460	0.5
83.01369	0.6
85.02952	1.5
86.42754	0.5
88.80148	0.5
89.02401	0.5
93.68248	0.7
95.01395	1.2
97.02967	0.7
98.22652	1.0
101.02431	0.6
107.01381	3.7
108.02182	52.0
109.02985	11.4
111.00883	0.8
113.02460	0.5
121.02965	25.5
123.00899	4.9
123.91519	0.5
124.01662	13.0
124.02517	1.0
125.02462	20.3
133.02995	0.7
135.04529	0.8
137.09691	1.6
139.03973	0.8
140.01163	1.6
141.01979	0.6
151.00395	2.0
151.03888	0.5
152.01166	100.0
153.01808	3.1
161.02457	0.7
163.04018	2.1
165.01999	0.7
167.03490	1.6
168.00648	10.3
169.01442	26.9
179.03500	1.3
180.93915	0.5
191.09207	0.5
211.02486	47.7
212.02850	0.8
241.03574	1.5
243.70741	0.5
244.75583	0.6
271.04608	83.9
272.05002	2.7
285.06296	0.8
309.36581	0.5
310.97192	0.5
331.06729	14.9
332.11087	0.5
399.09335	34.7
400.09756	1.3
450.71030	0.7
478.68433	0.5
521.13129	65.3
521.20331	11.5
522.13403	4.9
522.20465	1.0
527.91895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.7
61.98821	3.1
68.05762	0.9
69.76818	0.9
71.44614	0.8
79.99169	0.9
80.02676	6.0
93.03464	2.5
107.01408	4.0
108.02190	16.7
109.03040	1.0
110.56409	1.1
118.87882	1.1
121.02955	1.6
123.00915	1.8
125.02433	3.0
134.03764	5.4
136.01671	26.7
137.02467	12.4
139.00360	2.2
149.02469	1.8
149.06099	1.7
151.00401	8.1
152.01192	1.4
155.93048	1.0
156.73889	1.1
162.83923	4.2
164.01114	1.1
164.83606	2.1
165.01927	3.0
169.01459	4.6
173.45659	0.9
177.01901	1.0
178.02705	2.8
192.00661	38.7
192.22276	1.0
193.01425	92.2
193.05046	10.4
194.01730	2.7
194.37227	0.9
211.02455	4.1
235.02452	1.2
267.29443	1.0
271.04593	8.6
331.06750	1.1
337.05609	1.1
461.28955	2.1
521.16669	100.0
521.30469	2.6
522.16858	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	521.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52205	0.8
52.74987	0.9
58.00587	1.8
59.01368	3.7
71.01370	3.9
73.02938	3.0
75.00858	0.9
85.02946	1.1
94.92675	0.9
96.95971	1.2
98.47594	0.8
101.02471	1.7
108.02186	2.2
109.02947	1.3
113.02458	1.3
122.06130	4.4
123.00902	2.3
123.04476	1.6
124.01600	0.8
124.07670	1.1
125.02402	2.4
132.04523	1.5
135.04468	2.8
136.01643	1.9
144.04532	2.8
146.06131	3.0
149.06194	1.1
150.05594	1.2
155.87857	0.8
160.04057	2.4
163.04024	0.9
164.53049	0.9
169.01419	2.1
169.15428	1.0
172.04082	4.5
173.04778	2.3
174.05658	5.1
175.78447	0.8
176.07173	1.7
190.05092	1.2
203.05911	2.0
204.05334	0.7
204.06706	8.1
205.07259	1.2
206.08211	1.2
225.13844	1.2
227.11964	1.0
230.04485	1.0
231.03052	1.2
231.05315	3.1
232.06142	2.1
237.10339	1.1
238.11095	2.4
239.11911	1.4
240.08939	2.1
241.09784	2.3
248.05630	3.0
251.12062	0.9
253.09557	0.9
253.13434	8.1
255.11374	1.9
262.07181	3.1
263.07941	2.1
267.07864	1.6
268.08469	2.1
269.12979	2.7
271.09927	1.1
272.07071	1.5
279.07925	1.0
279.11279	1.6
280.08545	1.8
281.09229	3.6
281.12683	1.2
282.10083	1.5
283.10800	3.5
287.09424	6.5
287.13843	1.2
295.11078	5.5
295.14160	1.4
296.11621	3.8
297.12457	23.9
309.09021	1.4
309.12314	1.0
311.13980	3.1
313.11926	1.2
317.10199	4.6
323.10287	2.3
325.12036	5.7
327.13507	1.1
329.15125	1.7
337.11853	2.6
339.13452	1.1
341.11243	1.4
353.11417	2.0
355.13025	36.5
356.13174	1.5
363.09750	1.1
367.12866	3.5
369.10751	0.9
371.12381	1.3
381.10886	2.3
387.15503	2.6
391.13135	1.6
399.11954	18.2
401.13477	6.8
411.11829	2.1
413.13916	1.4
421.84503	0.9
431.14630	100.0
432.14990	6.9
435.12335	1.0
443.14590	8.5
461.15585	13.8
462.15860	1.4
464.51617	1.0
467.14783	3.3
485.15955	5.4
489.14789	1.4
503.16547	2.2
521.09912	1.8
521.17804	33.1
522.18079	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1877
Annotation	Asystasioside A
Peak:m/z	Relative Intensity
57.03453	2.5
59.01387	23.0
69.03461	1.6
69.39999	3.1
69.40405	3.8
71.01391	16.7
73.02951	8.4
75.00894	1.7
81.03461	1.5
83.01389	1.8
85.02954	11.1
85.88867	1.5
87.00881	2.0
87.04546	1.7
88.07210	1.3
89.02460	5.7
93.95804	1.4
95.01372	1.7
97.02973	10.1
98.65865	1.1
101.02457	24.1
107.08695	1.4
109.02885	1.4
109.06596	5.2
111.04518	2.5
113.02478	6.4
113.06089	1.8
125.02451	7.8
133.10257	17.3
135.08226	6.4
143.03511	1.5
149.09756	3.0
151.11264	5.8
153.09225	100.0
154.09563	2.2
161.04556	5.2
167.10777	15.3
195.10286	17.4
197.08200	62.2
221.06693	23.4
225.11459	1.8
239.09279	7.2
269.10278	15.2
299.08240	2.5
299.11386	39.4
344.12701	2.1
357.15536	3.1
359.13470	78.6
360.14017	2.8
401.14539	47.2
402.15033	2.4
431.15668	5.3
461.16638	16.0
483.69513	1.6
521.19696	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01382	22.3
59.29196	1.6
61.16577	2.0
70.59078	3.1
71.01394	17.0
73.02940	4.7
83.01382	3.6
85.02949	5.1
89.02433	7.5
98.22694	1.9
99.00854	2.2
101.02443	11.1
109.02951	6.5
113.02446	7.1
119.03508	4.9
121.02978	5.9
123.00922	3.6
125.02467	3.3
135.04579	2.8
137.02541	2.5
144.61421	1.9
147.04466	3.1
149.03407	2.1
150.03253	4.8
153.09233	18.4
155.10876	1.7
158.03630	2.0
159.04514	9.4
160.05322	28.2
161.02409	7.6
161.04684	2.1
161.06088	8.2
163.04063	2.5
164.04774	4.2
166.99814	2.2
167.10748	2.4
169.01360	3.6
173.06020	3.7
175.07658	25.9
177.05540	4.3
178.06314	10.5
179.03444	2.5
179.44305	1.8
182.02219	5.3
191.07156	2.4
192.07938	5.2
193.08643	1.8
195.58630	1.6
197.04523	2.5
197.08211	8.9
205.08760	1.6
221.06779	2.5
223.09917	2.0
241.05161	3.9
269.10516	1.9
284.99304	1.9
300.99823	2.0
313.10803	3.1
315.12534	2.3
323.07635	11.1
329.13953	100.0
330.14246	5.4
344.12637	11.9
359.15121	31.3
360.14236	1.7
401.14783	5.1
461.16556	4.9
521.13330	1.5
521.20215	43.5
521.27405	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03444	0.8
59.01384	15.4
60.49460	0.3
61.98834	1.8
65.32684	0.3
70.59542	0.5
70.59892	0.6
71.01388	4.3
72.99313	0.4
73.02962	1.7
79.01913	0.4
83.01392	1.1
85.02952	1.9
87.00881	0.9
89.02448	1.2
95.01371	0.5
96.96002	0.5
97.02988	0.6
98.22533	0.5
99.00882	0.6
101.02453	3.0
102.09478	0.4
107.01387	3.2
109.06682	0.4
110.00135	0.4
111.00910	1.3
113.02454	1.8
123.00903	3.6
124.01666	9.9
125.02457	22.4
126.02759	0.4
127.00367	0.7
133.02950	0.4
135.04558	0.5
136.98775	0.8
137.02394	0.6
139.00420	1.9
139.04057	0.5
140.01183	2.3
141.01891	0.3
145.01479	0.4
149.02414	0.5
151.00377	1.6
159.02995	0.4
160.01706	0.7
161.04565	0.6
165.01894	0.8
167.03508	1.3
168.00655	11.2
169.01450	29.5
170.01837	0.6
175.03915	0.7
177.02051	0.6
181.01308	0.4
192.68968	0.3
193.01451	0.9
211.02504	53.2
212.02876	1.3
221.28734	0.4
230.62204	0.3
241.03578	1.4
271.04614	100.0
272.04947	3.4
288.04761	0.4
313.05643	0.5
331.06720	18.0
332.06873	0.6
359.28119	0.9
445.12799	0.5
461.30896	1.3
479.24060	0.8
479.31830	0.7
521.07007	0.4
521.13354	0.9
521.20490	5.2
521.33337	12.2
522.20831	0.5
522.33527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07296	2.9
55.67016	3.4
59.01385	100.0
65.91006	3.1
69.14808	19.7
71.01384	58.1
82.86677	3.3
85.02958	12.7
89.02459	70.6
92.76998	3.3
95.01371	4.8
98.22721	7.1
101.02427	20.6
113.02461	19.9
119.03520	23.6
123.00880	7.7
124.01676	8.5
125.02448	11.6
126.46850	2.9
143.03497	5.3
159.10333	4.0
161.04547	4.1
168.00612	6.3
169.01427	18.0
179.05663	9.3
211.02473	13.6
224.04877	5.3
238.06378	5.2
266.05786	7.0
271.04620	25.3
283.09778	28.2
295.09830	3.6
310.99924	4.0
311.06012	5.3
311.09280	63.8
326.11609	42.0
341.13947	63.1
342.14133	4.3
352.46130	4.0
479.30048	12.6
521.20209	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	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42739	0.5
59.01386	7.6
63.57965	0.6
65.20979	0.6
69.03437	0.6
69.45838	2.4
69.46210	1.1
71.01394	2.4
74.92181	0.6
79.01905	1.1
83.01387	0.9
83.05042	1.0
85.02966	1.0
89.02455	1.5
95.01389	1.9
98.49358	0.6
101.02449	1.0
107.01418	5.2
108.02169	0.6
111.00916	1.2
113.02502	1.2
121.02966	0.9
123.00912	7.6
124.00746	0.8
124.01668	17.8
125.02462	29.1
136.98807	1.2
137.38725	0.6
139.00388	0.9
139.04034	0.7
140.01181	2.2
141.01976	1.5
151.00432	2.8
152.01218	1.8
159.10265	1.0
165.01971	0.8
167.03535	1.6
168.00664	12.7
169.01445	44.1
183.02939	0.6
194.01476	0.6
211.02498	63.6
212.02820	1.4
220.82909	0.6
241.03552	2.3
271.04620	100.0
272.04907	2.4
313.05649	0.6
331.06723	14.6
461.28995	1.1
521.20319	56.7
522.20642	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
56.18242	0.3
59.01384	3.7
67.01893	0.3
69.09570	2.2
71.01379	2.0
73.02946	0.4
79.01900	0.6
81.03436	0.4
82.00641	0.4
83.01390	0.5
85.02963	1.1
87.35049	0.3
89.02441	0.9
95.01382	0.5
97.02940	0.3
98.12205	0.3
100.23042	0.3
101.02457	0.7
106.25497	0.3
107.01396	2.8
108.02183	6.1
109.02953	1.2
111.00905	0.9
113.02467	0.6
121.02970	4.0
123.00895	4.3
124.00762	0.5
124.01669	11.9
125.02461	18.4
126.02724	0.3
127.00397	0.3
136.98843	0.7
137.09721	2.0
137.10646	0.3
139.00386	1.0
139.04034	0.5
140.01160	1.1
141.01904	0.6
151.00360	2.6
152.01172	14.4
153.01752	0.4
163.04010	0.3
165.01953	0.7
167.03500	1.2
167.99213	0.3
168.00664	9.4
169.01447	28.8
170.01743	0.8
193.01393	0.3
211.02512	48.9
212.02850	1.2
241.03503	1.8
271.04623	100.0
272.04984	3.6
331.06723	18.0
332.07098	0.7
394.85760	0.3
399.09375	5.3
400.09918	0.5
407.73065	0.3
470.05270	0.3
521.13031	9.2
521.20453	16.6
522.13556	0.6
522.20752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99907	0.9
57.03448	1.8
58.00615	0.8
59.01386	100.0
66.51590	0.8
70.13983	0.8
71.01391	51.0
72.99312	1.0
73.02962	2.8
83.01382	1.8
83.05058	0.9
85.02969	9.5
87.00894	2.3
89.02456	73.0
95.01411	2.7
99.00871	1.3
101.02450	31.9
108.02174	2.1
109.02948	2.0
113.02471	18.2
119.02663	1.6
119.03519	32.8
121.02976	2.8
122.03791	1.1
123.00896	0.9
123.04523	2.3
124.01764	0.8
125.02451	2.9
131.03510	5.4
135.04521	0.9
139.69910	0.8
143.03534	5.8
149.04581	6.6
159.04652	1.8
160.05327	6.8
161.04578	5.4
161.05980	1.6
169.01447	2.4
171.04510	0.9
172.05354	2.6
173.06120	2.4
175.07671	2.2
179.05630	13.0
187.07738	1.9
189.05618	5.0
190.06323	6.2
191.05676	1.1
205.08704	3.8
263.68002	0.8
271.04550	2.0
281.08301	1.2
296.10599	3.0
311.09470	1.5
311.12964	5.5
329.14093	4.5
341.13922	23.4
348.88141	1.0
382.03143	0.8
458.17755	1.0
465.25790	1.0
479.30234	1.2
496.62790	0.9
503.03101	1.2
521.20111	4.4
521.31940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03464	1.3
58.00593	1.2
59.01385	100.0
59.77245	0.7
69.03515	0.7
69.43887	2.9
71.01389	53.3
71.15624	0.7
72.99314	0.9
73.02962	2.6
76.38288	0.7
83.01398	2.2
85.02957	7.7
87.00896	2.2
89.02454	68.9
95.01432	2.9
96.46622	0.8
99.00919	1.1
101.02453	27.6
102.02777	0.7
108.02229	1.3
109.02987	2.4
113.02460	21.9
119.03512	27.4
121.02994	1.4
122.03784	1.4
123.04527	2.6
125.02471	2.5
131.03543	3.8
131.70380	0.7
133.26187	0.7
135.04561	1.5
143.03549	5.6
147.04594	1.1
149.04543	3.5
159.04585	1.1
160.05313	4.6
161.02473	1.2
161.04610	3.8
161.05988	1.3
169.01439	1.3
172.05356	2.3
173.06123	2.1
175.07674	2.6
179.05617	11.3
179.06963	0.9
187.07797	1.0
189.05551	5.9
190.06342	5.4
205.08701	5.1
225.11288	0.8
281.08234	1.6
295.10138	1.0
296.10645	4.6
311.13016	3.4
314.11618	0.9
326.11908	0.9
329.14139	2.6
341.13962	23.8
342.14368	1.4
521.07599	0.9
521.20502	3.3
521.31506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.7
59.01387	100.0
59.37562	1.8
69.37617	10.3
71.01022	3.2
71.01392	45.1
72.99300	2.0
73.02940	2.3
82.28309	1.7
83.05024	9.3
85.02956	9.7
85.78197	1.9
86.60298	1.9
87.00882	2.1
89.02455	61.8
95.01424	4.6
99.81015	1.8
101.02453	24.0
113.02469	21.3
115.07758	1.8
119.03517	21.1
124.01612	2.8
125.02451	4.9
131.03540	2.4
143.03499	4.9
159.10294	12.5
161.04575	3.6
161.33269	2.1
165.34261	1.9
169.01424	5.8
178.50493	2.1
179.05598	6.1
211.02507	6.8
223.09821	2.4
238.06357	3.1
255.10316	3.9
266.05872	2.6
271.04688	9.7
283.09851	22.8
295.09595	2.8
296.10730	2.2
298.12088	4.2
301.17963	3.2
311.09302	56.0
311.12964	2.9
312.09540	3.3
325.10974	2.7
326.11642	35.8
337.37930	1.9
341.13940	56.2
342.14584	2.7
382.44147	2.1
461.28873	3.8
477.66449	2.2
479.30237	20.0
521.20233	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	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01382	22.3
59.29196	1.6
61.16577	2.0
70.59078	3.1
71.01394	17.0
73.02940	4.7
83.01382	3.6
85.02949	5.1
89.02433	7.5
98.22694	1.9
99.00854	2.2
101.02443	11.1
109.02951	6.5
113.02446	7.1
119.03508	4.9
121.02978	5.9
123.00922	3.6
125.02467	3.3
135.04579	2.8
137.02541	2.5
144.61421	1.9
147.04466	3.1
149.03407	2.1
150.03253	4.8
153.09233	18.4
155.10876	1.7
158.03630	2.0
159.04514	9.4
160.05322	28.2
161.02409	7.6
161.04684	2.1
161.06088	8.2
163.04063	2.5
164.04774	4.2
166.99814	2.2
167.10748	2.4
169.01360	3.6
173.06020	3.7
175.07658	25.9
177.05540	4.3
178.06314	10.5
179.03444	2.5
179.44305	1.8
182.02219	5.3
191.07156	2.4
192.07938	5.2
193.08643	1.8
195.58630	1.6
197.04523	2.5
197.08211	8.9
205.08760	1.6
221.06779	2.5
223.09917	2.0
241.05161	3.9
269.10516	1.9
284.99304	1.9
300.99823	2.0
313.10803	3.1
315.12534	2.3
323.07635	11.1
329.13953	100.0
330.14246	5.4
344.12637	11.9
359.15121	31.3
360.14236	1.7
401.14783	5.1
461.16556	4.9
521.13330	1.5
521.20215	43.5
521.27405	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01382	22.3
59.29196	1.6
61.16577	2.0
70.59078	3.1
71.01394	17.0
73.02940	4.7
83.01382	3.6
85.02949	5.1
89.02433	7.5
98.22694	1.9
99.00854	2.2
101.02443	11.1
109.02951	6.5
113.02446	7.1
119.03508	4.9
121.02978	5.9
123.00922	3.6
125.02467	3.3
135.04579	2.8
137.02541	2.5
144.61421	1.9
147.04466	3.1
149.03407	2.1
150.03253	4.8
153.09233	18.4
155.10876	1.7
158.03630	2.0
159.04514	9.4
160.05322	28.2
161.02409	7.6
161.04684	2.1
161.06088	8.2
163.04063	2.5
164.04774	4.2
166.99814	2.2
167.10748	2.4
169.01360	3.6
173.06020	3.7
175.07658	25.9
177.05540	4.3
178.06314	10.5
179.03444	2.5
179.44305	1.8
182.02219	5.3
191.07156	2.4
192.07938	5.2
193.08643	1.8
195.58630	1.6
197.04523	2.5
197.08211	8.9
205.08760	1.6
221.06779	2.5
223.09917	2.0
241.05161	3.9
269.10516	1.9
284.99304	1.9
300.99823	2.0
313.10803	3.1
315.12534	2.3
323.07635	11.1
329.13953	100.0
330.14246	5.4
344.12637	11.9
359.15121	31.3
360.14236	1.7
401.14783	5.1
461.16556	4.9
521.13330	1.5
521.20215	43.5
521.27405	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84367	1.5
55.01886	1.5
57.03444	2.1
57.28400	1.2
57.91415	1.7
58.23896	1.3
59.01384	100.0
61.98834	4.2
69.03442	2.0
69.44913	2.6
69.45325	4.7
71.01387	30.2
72.99319	2.2
73.02952	26.9
75.04236	1.5
81.03476	2.0
83.01395	6.6
85.02956	9.7
86.04637	1.3
87.00873	2.2
87.04575	1.6
89.01929	2.2
89.02431	13.1
93.03463	1.6
95.01444	1.7
96.95997	1.9
98.21872	2.8
99.00884	3.3
101.02459	23.1
105.03491	2.1
108.02189	4.7
109.02985	5.8
111.00904	1.5
113.02457	9.6
115.04038	2.4
119.03526	4.1
120.02011	1.4
121.02962	10.7
123.00950	2.2
123.04549	3.4
125.02457	7.7
125.09720	1.5
131.03516	1.6
133.02998	4.7
134.03705	2.3
135.04579	1.9
137.02501	1.7
145.01427	2.8
149.04613	3.6
152.01204	6.2
153.01967	2.6
153.05579	15.9
161.04599	5.3
167.10863	2.0
169.01453	6.4
171.13954	1.6
177.01959	28.3
193.05006	2.8
193.16002	3.1
211.02684	1.8
233.06831	2.1
237.15015	2.2
271.04636	4.1
293.08844	4.4
299.99030	1.5
331.06610	1.6
351.98074	1.3
359.28015	11.9
360.96564	1.4
441.08780	1.8
443.28305	4.0
461.29135	9.4
477.17737	5.7
477.23926	4.4
521.19720	5.7
521.33398	48.3
522.33710	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2966
Annotation	Sedumoside E2
Peak:m/z	Relative Intensity
55.01881	6.4
57.03456	5.5
58.00592	1.1
59.01384	85.2
68.99812	0.5
69.03471	1.4
69.29227	2.4
69.29631	1.1
71.01386	65.2
71.05045	0.8
72.99323	1.9
73.02948	33.7
75.00881	1.3
81.03500	0.5
83.01391	12.0
85.02956	45.2
86.00124	1.7
86.03316	0.5
87.00888	5.8
87.04540	1.8
89.02449	17.2
95.01396	5.3
97.02956	2.6
99.00881	9.7
99.04513	0.7
101.02451	61.8
102.02802	0.8
103.04012	5.9
103.04565	0.6
111.00912	1.9
112.01682	0.7
113.02455	29.8
115.04041	2.4
119.03497	6.2
123.00932	0.6
125.02431	3.3
127.04047	0.6
129.01955	1.5
131.03502	2.0
135.04515	0.8
136.01695	1.6
137.02206	0.6
141.01959	0.6
143.03517	6.2
145.05136	1.8
151.04037	2.2
152.04361	1.1
159.03000	6.8
161.04573	31.9
163.06107	3.9
165.45308	0.6
169.01505	0.6
179.03572	0.5
179.05569	0.8
179.81047	0.5
182.60667	0.5
183.10260	0.6
205.07156	2.7
255.19658	0.6
284.96704	0.6
293.03943	0.5
299.99289	0.7
312.96173	1.3
315.63562	0.5
327.98654	2.2
343.01059	5.9
357.22797	1.6
359.14151	1.5
375.23880	91.8
376.24109	5.1
419.23047	2.8
461.18076	1.7
461.29425	0.6
479.30090	0.8
506.07001	1.1
521.09528	3.8
521.29675	100.0
522.29980	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	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49340	3.6
63.22519	4.1
69.17384	25.0
77.53771	3.8
78.95933	3.9
80.02937	3.7
105.56704	3.5
111.27291	4.6
125.02533	3.8
149.22079	3.8
153.53441	4.1
184.22359	3.6
195.29443	3.9
220.06624	4.8
271.04568	4.1
289.66687	4.0
409.31332	9.2
473.32718	100.0
474.33151	8.2
485.32693	9.0
521.33887	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	521.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41948	16.3
59.01378	13.4
61.98830	15.3
64.73414	12.5
68.58017	14.2
75.73992	13.8
78.06699	12.5
209.11842	16.0
222.53558	14.1
242.15715	13.6
247.85124	14.9
261.75290	15.2
271.07050	15.7
275.07944	16.6
275.28931	17.5
521.13086	36.3
521.30048	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	522.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08623	1.1
59.01384	28.1
59.96407	1.0
61.98834	100.0
71.01382	9.5
71.43904	1.1
73.02950	26.0
75.00887	2.1
75.68944	0.8
83.01395	4.4
85.02950	1.3
101.02458	12.1
103.26505	1.0
113.02473	2.6
119.05038	2.1
125.01624	1.8
125.02447	2.2
126.99577	3.3
129.40208	1.1
131.08640	1.0
143.03558	1.1
151.04048	1.1
153.46906	1.0
155.03516	1.9
163.03972	1.2
167.06339	26.3
181.00667	5.1
203.05589	2.9
211.05321	10.9
225.04659	2.1
225.06874	32.1
225.09035	2.0
226.07246	1.2
253.06421	19.5
389.91077	1.0
407.69067	1.1
521.34485	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94687	0.2
59.01382	6.6
61.98834	100.0
67.47691	0.2
69.17516	0.5
69.17915	1.2
73.72887	0.2
75.28869	0.2
96.34978	0.2
96.50777	0.2
98.21860	0.4
101.02482	0.3
124.01652	0.2
125.02554	0.2
133.20549	0.2
135.04547	0.3
146.03751	0.2
169.01329	0.3
169.87524	0.2
181.78592	0.2
193.01436	0.5
194.01927	0.4
211.13464	0.5
272.86041	0.3
462.29678	0.8
463.30823	0.7
522.20117	0.4
522.33752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	5.7
58.00584	6.0
59.01383	82.4
61.98846	23.4
63.73533	4.3
69.03447	7.5
70.75157	5.5
70.75481	5.0
71.01368	18.2
80.91719	10.1
83.05033	12.3
85.02943	4.9
87.00862	6.1
87.04517	19.9
89.02449	12.7
93.03473	8.5
95.01379	7.3
95.56728	5.0
96.96043	7.4
101.02435	7.6
108.02163	17.6
113.02464	6.9
121.02969	18.5
122.03789	6.9
123.00914	10.3
124.01650	14.6
125.02508	25.1
126.02802	7.8
137.02443	12.3
139.11304	11.4
149.02478	27.0
150.03244	59.9
151.00400	10.4
152.01140	15.2
152.53438	5.2
153.01654	5.6
159.10234	15.9
161.02499	10.4
162.03302	9.2
164.04842	8.7
165.05602	87.1
166.06392	10.1
168.00687	7.4
169.01416	33.4
170.01727	12.6
173.11853	6.5
176.25836	5.2
177.05664	7.3
180.04327	23.0
183.10265	28.1
186.05602	4.8
195.06642	100.0
195.65761	4.8
211.02512	36.8
212.02794	15.4
222.98859	4.9
223.01157	5.2
261.14972	23.4
263.16501	5.1
271.04568	57.0
272.04913	40.5
279.15881	14.3
317.17459	5.5
319.19238	6.2
331.06567	5.7
332.07111	7.6
346.77420	5.3
354.72910	5.8
399.09116	5.6
400.09494	7.5
447.03436	7.8
462.29361	7.8
463.30713	26.1
479.30127	81.6
480.29956	6.8
513.59503	5.0
522.13281	26.8
522.20612	34.1
523.21490	14.8
523.32526	5.7
541.23309	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	522.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.0
59.01385	23.3
61.98821	7.3
69.43924	14.7
69.44326	6.3
69.75307	2.8
70.30164	3.3
71.01382	10.6
71.05018	5.5
73.02958	4.1
74.53682	3.2
83.05039	28.7
85.02954	10.6
89.02478	4.5
89.68118	3.7
98.21791	4.1
98.65416	3.0
100.02802	3.0
101.02438	10.0
107.01394	3.9
113.02438	5.9
115.07658	4.8
123.00896	7.8
125.02442	5.9
159.10266	25.6
163.63852	2.9
166.99890	4.2
168.00558	4.1
169.01418	4.9
199.72444	3.3
201.02640	3.3
205.88020	3.5
268.07303	3.6
275.02145	4.3
300.99677	5.5
301.17947	9.3
319.19351	15.6
342.14069	4.6
420.11841	3.7
479.30179	100.0
480.30585	9.8
492.19336	22.1
504.19543	21.7
522.20447	8.0
523.21637	5.3
523.32990	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	522.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34309	2.7
57.03452	4.6
58.02641	2.4
59.01379	2.8
69.40970	5.8
69.41364	4.1
71.05031	3.0
83.05032	31.5
85.02952	7.5
86.62217	2.4
87.08178	2.3
87.60219	2.4
90.57380	2.7
98.22619	5.8
115.07661	4.1
129.69949	2.8
157.29053	2.4
159.10268	36.5
168.10947	2.6
253.51617	2.5
285.14951	3.1
301.17978	6.6
312.85114	2.5
319.19125	16.7
447.72742	2.7
461.28854	2.9
479.30203	100.0
480.30542	9.5
522.30804	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	523.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64966	19.4
53.66854	18.0
59.01359	39.9
68.45604	20.2
69.55173	40.5
69.55536	67.2
83.86072	22.9
85.95848	16.8
109.02901	21.5
111.04520	24.1
113.02433	22.8
123.00858	35.0
124.01670	19.9
125.02432	70.8
137.75761	19.9
169.01453	100.0
229.01237	21.6
234.99216	20.7
275.01984	20.6
300.99902	77.2
317.06763	26.2
331.06845	34.5
391.02979	28.2
469.09677	24.6
487.10971	99.7
523.04504	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	523.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26329	2.4
59.01384	6.8
60.99303	11.3
62.03260	2.0
64.89983	2.3
70.69185	3.3
76.31532	1.9
77.58493	2.1
78.95905	2.1
81.88818	2.0
84.85995	2.1
88.98811	64.7
91.86157	2.6
95.01440	2.9
96.96026	11.5
96.96984	3.2
123.00912	12.1
124.01683	6.5
125.02477	15.0
139.00478	3.8
141.01945	2.3
151.00354	8.0
169.01431	19.6
193.54424	2.2
214.99829	2.7
224.64532	2.4
269.87802	2.3
275.01947	2.4
294.91675	2.2
300.99808	7.2
307.97150	2.4
419.12033	5.5
433.07639	4.9
433.13528	100.0
434.13834	6.4
456.89291	2.3
523.03088	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	523.1462
Annotation	verminoside
Peak:m/z	Relative Intensity
59.01386	9.4
61.19717	0.9
61.98814	2.2
62.17736	0.8
71.01392	6.8
73.02937	2.7
78.01061	0.9
81.03458	1.2
81.75835	0.9
85.02941	3.6
87.00896	2.0
89.02451	3.0
95.01392	3.0
96.96014	1.2
97.02961	1.4
101.02431	4.0
101.03026	0.8
107.01395	8.7
109.02930	1.1
111.00887	1.5
113.02444	2.6
119.03474	1.4
119.05009	1.4
123.00901	12.7
124.01672	11.7
125.02460	54.1
127.00442	1.2
135.04515	3.5
137.02397	2.7
139.00371	2.7
140.01128	3.3
141.01912	2.3
145.02939	1.3
147.04536	1.1
149.02518	1.7
150.03206	1.2
151.00424	7.0
151.03986	4.1
155.10777	6.9
159.04515	1.0
161.02460	2.3
161.04596	1.3
163.04021	1.8
164.04791	1.5
165.02002	1.8
165.05556	2.9
166.99783	1.1
168.00677	4.9
169.01436	62.3
177.01978	0.9
179.03508	15.8
179.07195	1.0
180.04227	3.4
181.05089	2.1
183.03018	4.6
191.03395	2.0
193.01384	1.4
194.05879	12.6
195.06595	2.4
199.09731	2.9
203.03456	1.3
209.08228	5.4
211.02368	2.0
229.01350	1.3
275.02045	4.6
300.99869	5.9
313.05710	24.6
327.07144	3.7
361.09369	3.4
391.03009	2.0
472.66446	0.9
505.13864	2.0
523.14502	100.0
523.55499	1.5
524.15100	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47784	0.5
57.43318	0.4
59.01381	2.8
60.12356	0.4
62.19723	0.6
65.00298	0.7
67.01886	0.5
68.19955	0.5
69.03439	1.4
69.34887	2.4
71.01400	3.5
73.02927	0.6
78.01102	0.9
79.01889	0.6
80.20354	0.5
81.03459	1.0
83.01390	1.1
85.02950	1.7
87.00861	1.2
89.02447	1.2
95.01385	1.5
96.96011	0.6
97.02979	1.4
98.22568	1.1
101.02436	1.6
101.09579	0.5
101.77513	0.5
106.43423	0.5
107.00722	0.8
107.01402	9.7
111.00904	2.3
113.02435	1.7
123.00912	10.0
124.01678	12.9
125.02463	56.0
126.02776	0.7
127.00431	0.5
131.13007	0.5
136.98790	1.7
137.02400	0.9
139.00398	3.4
139.04013	1.5
140.01155	2.9
141.01936	0.8
141.09193	0.6
151.00391	5.6
151.04019	2.1
153.01935	0.5
155.10796	0.6
161.02458	5.3
162.03226	0.7
165.01920	0.6
165.05603	0.5
166.99875	0.6
167.03534	0.8
168.00674	5.1
169.01443	63.7
170.01738	1.8
173.02408	0.5
176.04773	2.1
177.32617	0.5
179.03526	9.3
180.04276	2.1
183.02982	2.6
190.54930	0.5
191.03574	0.7
191.07121	1.0
194.05885	6.9
195.06612	2.4
209.08134	3.0
211.02423	1.1
229.01306	0.5
241.03471	1.3
253.03488	0.9
275.01971	2.2
287.09277	1.8
291.65057	0.5
297.06113	2.0
299.98941	0.6
300.99799	3.0
313.05676	23.9
314.06284	1.1
322.67325	0.5
327.07224	4.1
360.15640	0.6
361.15610	1.1
390.52737	0.9
391.03149	0.9
450.99487	0.6
523.14612	100.0
523.55005	0.8
524.15039	8.3
535.70490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
56.90517	0.6
57.03448	3.9
59.01123	0.9
59.01384	12.0
61.98826	1.4
65.00323	1.6
67.01894	0.9
68.99828	1.3
69.03482	0.8
71.01389	6.6
71.42912	0.8
73.02956	2.6
78.01116	5.4
82.00599	2.9
83.01385	3.4
83.05016	1.7
85.02953	2.8
86.00096	2.9
87.00896	0.9
87.04507	1.7
89.02464	4.9
95.01380	1.8
97.06634	1.3
99.00887	1.0
101.02441	2.6
106.00620	1.5
107.01389	7.0
109.02941	1.1
109.06594	1.3
110.00095	3.5
111.00891	14.8
113.02422	1.4
119.03503	1.3
123.00893	3.2
124.01674	100.0
125.02494	13.9
127.00409	6.6
136.98813	12.2
139.00398	16.6
139.03998	0.9
140.00075	1.3
140.01169	24.9
151.07690	1.4
153.01868	0.9
154.99873	2.7
155.10782	3.8
159.10265	1.3
161.02438	1.2
162.03178	1.8
168.00655	57.0
169.01439	73.0
170.01782	2.8
173.09750	0.9
177.05576	1.9
183.02997	8.1
185.11871	3.6
191.10803	6.9
195.02951	1.2
199.09752	1.6
203.10736	2.3
207.02959	1.1
209.11859	1.7
213.40118	0.8
225.12880	1.0
227.10788	2.1
241.12427	0.8
243.13931	4.9
245.11697	0.8
255.05205	3.9
259.13480	2.2
261.14972	7.8
275.02005	2.3
277.14447	2.6
279.16028	49.3
280.16467	1.5
287.05679	1.3
300.99854	2.4
302.07932	1.5
317.10312	24.6
318.10571	1.0
331.06583	1.4
361.09372	5.1
439.05127	0.8
465.28418	2.8
466.53119	1.1
479.15564	1.6
523.14612	78.4
523.20831	2.8
523.32458	11.6
524.14935	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.2
67.30075	0.7
68.99367	0.7
69.03459	1.1
71.01391	7.1
71.05045	0.7
73.02936	1.6
73.57664	0.7
74.88163	0.7
75.00853	1.5
77.78429	0.8
79.01888	1.0
81.03460	1.8
83.01403	1.1
85.02968	1.3
87.00891	0.9
89.02460	1.5
93.03440	1.3
95.01379	3.1
96.96000	1.7
97.02951	2.5
101.02471	2.2
107.01405	12.4
109.02972	1.0
111.00883	2.8
111.04534	1.1
113.02496	2.0
123.00894	9.9
124.01669	11.3
125.02463	69.5
126.02837	1.2
127.00404	0.9
136.98839	1.9
137.02464	3.1
137.09732	1.0
139.00395	2.5
139.04002	2.0
140.01181	3.5
141.01949	2.2
151.00371	6.7
151.04012	1.8
155.10774	3.1
161.02495	6.1
162.03195	1.4
165.01997	1.1
168.00661	5.5
169.01448	78.5
170.01721	1.9
176.04784	4.1
179.03510	8.9
180.04250	3.1
183.03059	3.8
191.07115	1.9
193.01495	1.4
194.05867	6.0
195.06693	4.0
199.09801	2.7
209.08223	4.4
211.02391	1.8
226.42218	0.8
229.01488	1.2
241.03438	1.9
253.03401	1.3
275.02090	1.7
295.06216	1.4
297.06128	2.3
300.99951	4.4
313.05676	28.8
314.06018	1.7
327.07202	4.5
505.13416	1.7
523.14587	100.0
524.15045	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	523.1826
Annotation	Verbenabraside A
Peak:m/z	Relative Intensity
57.03443	0.8
59.01085	0.7
59.01386	16.3
61.98836	31.9
65.08059	0.4
66.13017	0.4
69.03458	0.6
71.01386	3.1
73.02959	2.0
77.39027	0.4
81.03454	0.4
83.01389	0.5
85.02960	2.1
87.04526	4.5
89.02452	0.9
92.48973	0.4
97.02963	0.8
99.04510	0.6
101.02458	2.4
107.05045	2.8
109.02981	0.6
111.08125	0.4
113.02495	1.2
116.92883	0.4
123.00924	1.0
123.08085	0.4
124.01717	0.8
125.02455	1.5
125.06117	0.6
127.07568	0.4
134.03760	3.5
135.04541	100.0
136.04871	2.0
137.06203	0.5
137.09737	3.0
139.07663	1.1
139.11290	0.5
145.92162	0.4
149.09735	0.7
151.07596	0.6
155.10796	15.6
156.11166	0.5
163.11263	0.5
167.10887	0.6
169.01430	1.6
169.12392	0.8
179.03493	2.0
179.10811	1.3
181.08774	2.2
191.10793	1.2
195.06606	0.8
195.10249	1.0
199.09782	18.9
213.11543	0.6
225.11359	0.8
241.10829	4.8
253.10913	1.9
255.12422	0.8
261.14960	1.1
283.11902	10.1
301.18143	0.8
325.17795	0.4
343.13913	4.1
463.30573	1.8
479.19229	6.1
484.89035	0.4
522.34076	0.7
523.18793	5.7
523.34192	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.8
59.01384	7.1
61.98838	1.1
63.67796	0.3
69.38221	1.5
71.01389	1.6
71.26279	0.3
72.99315	0.6
73.02981	1.3
75.00868	2.3
76.04206	0.3
80.96553	1.5
83.01424	0.5
83.05042	0.4
85.02991	1.2
87.04521	2.8
91.05599	0.4
96.96053	0.4
97.02966	0.6
101.02473	1.7
107.05048	4.9
122.03755	0.3
122.86765	0.4
123.00913	0.5
123.04501	0.8
124.01728	0.4
125.02462	1.4
134.03773	3.1
135.04538	100.0
136.04898	2.0
136.94460	0.3
137.09741	3.5
139.07640	0.5
146.03746	0.6
151.04031	1.4
151.11246	0.4
155.10793	13.1
163.07613	0.3
164.04832	0.3
169.01456	1.1
169.12399	0.6
179.03519	18.9
179.07115	1.1
179.10800	1.5
180.03827	0.5
181.08713	1.3
191.10735	0.5
195.10178	0.8
199.09773	12.1
199.94855	0.4
209.11829	0.4
213.11388	0.5
223.09779	0.8
223.13210	0.4
225.11261	0.4
241.10846	4.1
247.09744	0.4
253.10709	1.4
255.12224	0.6
265.10757	1.5
283.11938	5.6
297.09714	0.9
343.14029	3.8
344.14294	0.4
361.29446	0.5
363.53052	0.4
388.59137	0.4
421.14926	0.4
463.30750	0.6
466.02209	0.5
479.18835	1.1
522.33478	0.4
523.17981	13.7
523.34479	0.8
524.18628	1.0
532.92419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01384	25.0
61.98825	1.5
71.01381	3.9
71.41471	0.5
73.02955	2.1
83.05022	1.2
84.70875	0.5
85.02943	2.5
87.04529	4.4
89.02448	1.5
92.53544	0.5
95.01367	0.6
97.02974	1.2
98.81729	0.5
99.00880	0.7
101.02457	3.1
107.01404	0.9
107.05032	4.1
113.02454	1.2
117.03452	0.7
119.03519	0.5
121.56116	0.5
123.00903	2.9
124.01662	1.8
125.02464	4.6
125.06087	0.7
126.02715	0.5
134.03784	3.4
135.04539	100.0
136.04855	2.3
137.02461	1.4
137.09718	2.8
139.07690	0.9
139.11349	0.6
140.01122	0.5
141.09229	0.5
151.00385	1.7
151.04027	2.4
151.11391	0.7
155.10793	17.4
162.03236	8.8
163.03952	1.3
168.00685	1.2
169.01454	6.2
169.12392	0.8
170.01888	0.6
177.05563	2.0
179.03526	4.0
179.10817	1.5
180.04291	22.6
181.08641	1.0
191.10847	1.2
193.08804	0.5
195.06636	35.1
196.06992	0.5
199.09773	17.2
200.10231	0.6
211.02299	0.5
213.11382	0.9
237.11459	0.6
241.10855	5.3
253.10907	2.2
255.12436	1.4
270.90079	0.5
275.01947	0.5
276.56244	0.5
283.11871	8.8
284.12061	0.6
301.18097	3.2
333.07285	0.6
343.14047	3.1
345.17078	1.1
351.12869	0.6
364.52420	0.5
426.37640	0.5
427.28198	0.6
463.30545	5.7
472.91754	0.5
477.23383	0.8
479.19296	4.1
523.22491	16.4
523.34076	3.0
524.22284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49924	0.5
57.03444	0.9
59.01381	7.2
61.94746	0.5
69.03454	1.0
69.84767	1.9
71.01385	4.3
73.02953	6.4
73.05804	0.5
73.67828	0.6
82.24999	0.5
83.01398	0.6
85.02957	2.5
87.04514	3.5
89.02471	2.4
89.21867	0.5
95.01453	0.8
97.02960	1.6
99.00898	0.8
101.02445	8.6
113.02467	2.4
123.00900	0.9
124.01678	0.7
125.02459	6.8
131.03503	0.8
134.89758	0.5
135.08159	1.6
137.09738	12.8
139.11299	1.5
155.10793	100.0
156.11115	2.4
161.04572	1.6
165.21394	0.6
169.01413	1.7
169.12355	2.1
179.05557	0.7
181.08701	3.2
183.10265	4.4
199.09773	67.6
200.10194	1.4
213.11307	3.0
221.06660	1.3
241.10808	14.0
271.11975	3.5
275.01996	1.9
297.11832	1.1
300.99863	2.7
301.12976	11.4
302.13239	1.0
361.15057	32.0
362.15424	0.7
403.16074	24.9
404.16394	1.5
433.17160	2.4
463.17545	5.4
523.20630	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	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08574	0.4
51.78328	0.4
54.33548	0.5
55.01859	0.7
57.03453	0.9
59.01384	3.8
66.04556	0.5
66.06148	0.4
66.57294	0.5
67.01883	0.7
69.03457	0.5
69.53085	0.8
69.53457	0.8
71.01379	2.8
73.02927	0.7
78.01124	0.8
79.01905	0.6
83.01382	1.2
85.02954	2.0
89.02482	0.5
92.40369	0.4
95.01405	1.9
97.02935	1.2
98.22570	1.0
101.02432	2.0
107.01397	3.7
111.00876	1.0
113.02477	1.1
121.02983	0.5
123.00900	15.8
124.01670	13.5
125.02456	14.4
125.51329	0.4
129.55672	0.4
135.04579	0.6
136.98831	0.6
139.00375	1.9
140.01187	2.3
141.01968	3.2
151.00385	10.0
153.01935	0.8
163.03976	0.7
168.00635	3.2
169.01434	21.1
170.01781	0.7
177.04024	1.0
211.02507	2.7
271.04599	1.8
272.04782	1.0
313.05548	1.5
333.07065	0.5
523.21863	100.0
524.22345	7.3
543.82147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48700	0.5
55.01878	1.2
57.03435	0.7
59.01381	12.4
61.98836	0.9
67.61437	0.5
69.03445	0.6
71.01376	5.7
73.02946	1.9
78.01120	0.8
79.01863	0.9
83.01365	0.7
83.05014	0.6
85.02943	2.7
87.00892	0.7
89.02441	1.6
95.01382	2.0
97.02952	1.3
98.22656	1.0
101.02458	3.8
106.29758	0.6
107.01392	7.4
111.00889	1.5
113.02466	2.1
123.00900	16.5
124.01685	10.6
125.02462	22.5
127.00317	0.8
135.04514	2.6
136.98817	1.0
139.00381	2.8
140.01175	2.0
141.01923	3.3
151.00383	9.5
164.01213	0.5
168.00642	3.6
169.01439	35.0
179.03532	0.7
181.05107	0.7
209.15425	1.0
255.68971	0.6
313.05762	1.3
361.29620	1.7
463.24170	0.6
463.30670	2.3
523.21906	100.0
523.33539	7.6
524.22211	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61760	0.3
55.01880	0.4
57.03447	0.5
59.01383	6.7
64.95999	0.2
67.01892	0.8
67.15623	0.2
69.03449	0.5
71.01385	2.7
73.02958	0.8
78.01124	0.4
79.01885	1.2
81.03459	0.3
82.00606	0.3
83.01411	0.6
85.02962	1.2
89.02447	0.6
95.01406	1.8
97.02960	0.8
98.22611	0.7
99.00913	0.4
101.02474	1.8
107.01407	4.0
109.02964	0.3
111.00894	1.2
113.02477	1.0
123.00901	15.8
124.01682	11.7
125.02462	15.8
135.04530	0.3
136.98840	0.5
137.02440	0.3
139.00401	2.3
139.03961	0.3
140.01199	1.7
141.01962	2.7
151.00391	11.2
151.03975	0.4
152.07719	0.2
153.01942	0.8
163.04016	0.6
168.00674	3.1
169.01440	19.8
170.01828	0.4
177.04106	0.3
179.03481	0.5
181.05164	0.3
209.15417	0.5
211.02449	1.4
253.03526	0.3
271.04587	1.1
306.78674	0.3
313.05719	1.1
463.30704	2.2
482.15515	0.3
523.21863	100.0
524.22186	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13799	3.3
57.01078	2.5
59.01383	37.1
60.04198	2.2
62.39619	2.6
69.08674	4.0
69.09069	17.2
69.10806	2.6
71.01389	37.3
73.02966	12.8
83.01373	4.8
85.02950	12.1
85.88095	2.9
89.02448	26.5
95.01380	5.1
99.00873	10.9
101.02446	28.3
105.46925	2.7
108.64331	2.4
109.02977	2.6
113.02441	13.3
121.02954	4.3
122.03770	5.4
125.02447	10.5
131.03558	3.4
137.09732	4.6
149.04585	10.9
150.71452	2.5
155.10783	17.6
159.02916	2.9
161.04567	10.5
165.05679	4.0
169.01437	7.9
191.05504	4.1
199.09773	10.0
300.99982	5.2
331.17688	9.6
361.16650	30.1
440.07452	3.1
463.15451	5.0
463.21924	100.0
523.20258	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13799	3.3
57.01078	2.5
59.01383	37.1
60.04198	2.2
62.39619	2.6
69.08674	4.0
69.09069	17.2
69.10806	2.6
71.01389	37.3
73.02966	12.8
83.01373	4.8
85.02950	12.1
85.88095	2.9
89.02448	26.5
95.01380	5.1
99.00873	10.9
101.02446	28.3
105.46925	2.7
108.64331	2.4
109.02977	2.6
113.02441	13.3
121.02954	4.3
122.03770	5.4
125.02447	10.5
131.03558	3.4
137.09732	4.6
149.04585	10.9
150.71452	2.5
155.10783	17.6
159.02916	2.9
161.04567	10.5
165.05679	4.0
169.01437	7.9
191.05504	4.1
199.09773	10.0
300.99982	5.2
331.17688	9.6
361.16650	30.1
440.07452	3.1
463.15451	5.0
463.21924	100.0
523.20258	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.8
59.01381	59.7
61.98833	12.7
71.01387	55.5
72.01762	2.8
73.02949	17.2
75.03574	2.5
75.81890	2.4
83.01379	4.9
85.02971	28.9
87.00874	3.7
89.02449	32.5
95.01392	5.4
99.00906	8.5
99.04569	2.9
101.02454	26.5
107.01452	3.3
109.02990	2.9
111.00897	3.7
113.02447	23.4
119.03521	6.9
124.01669	16.5
125.02441	10.0
127.97652	2.8
129.73361	2.6
131.03514	2.8
135.02708	2.7
136.98752	4.5
139.00343	3.9
140.01204	5.3
145.08688	4.1
155.10815	7.7
159.03018	5.2
159.10339	4.1
161.04541	15.0
162.03215	4.9
168.00645	10.7
169.01433	14.5
179.05656	4.9
199.09712	4.2
261.14960	4.5
279.15970	16.2
290.18024	3.1
331.17612	15.4
353.91055	2.5
431.04175	3.6
463.21887	100.0
464.21799	5.0
480.30521	6.2
523.14661	10.6
523.33295	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
59.01389	21.1
67.59810	2.1
69.03433	3.2
71.01387	30.9
71.41370	2.4
73.02955	16.9
82.05644	2.1
83.01381	4.6
85.02972	11.0
86.90655	2.4
87.00883	5.6
88.74429	2.5
89.02451	11.1
97.02947	3.4
99.00896	4.5
101.02453	25.8
113.02457	14.3
123.00907	3.2
124.01717	2.5
125.02463	11.5
137.02477	4.7
137.09753	12.8
143.03487	2.3
150.03151	2.3
155.10796	100.0
156.11127	2.3
158.90862	2.8
161.04561	15.5
165.96373	2.2
169.01418	11.0
174.01709	4.4
179.05676	3.9
191.05591	3.1
199.09764	36.8
201.02118	2.3
203.03529	2.6
204.38480	1.9
300.99963	15.0
313.05453	4.4
331.17651	9.4
463.21954	81.3
464.22327	6.7
497.23218	2.5
523.12531	5.7
523.20398	94.8
524.20563	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	15.3
69.82113	29.2
69.82473	28.2
88.79434	12.9
140.87375	14.0
154.70717	15.5
173.45453	14.3
207.63924	16.3
288.33447	13.6
487.34525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23257	87.3
65.66873	76.6
66.17966	70.9
75.90652	89.0
99.77769	73.7
113.45526	91.4
155.71381	85.8
180.25912	88.9
255.31427	87.7
387.68796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64617	0.2
59.01384	100.0
60.01721	0.5
61.98836	0.5
69.19668	0.6
69.20091	0.6
71.22674	0.2
83.59104	0.2
85.02970	0.7
91.08131	0.2
92.63206	0.2
125.06097	0.3
134.79073	0.1
184.87679	0.2
202.14006	0.2
263.16599	0.5
283.17252	0.3
285.15076	0.2
301.18158	0.7
319.19333	0.8
427.28653	0.3
445.29761	0.2
463.30722	6.4
464.31274	0.6
502.04077	0.2
523.21979	0.2
523.25299	0.3
523.32599	1.7
524.33356	0.3
532.83893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03484	0.4
59.01384	100.0
60.01711	0.3
61.98838	0.5
69.65233	0.3
71.01395	1.5
71.16935	0.3
71.26566	0.3
71.43353	0.5
73.02979	0.4
84.48831	0.3
85.02976	1.0
87.04490	0.3
89.02463	1.3
101.02483	0.6
107.01431	0.8
108.02216	0.5
118.98132	0.7
122.67816	0.3
123.00931	1.3
124.01704	1.1
125.02480	1.9
126.02869	0.4
140.01234	0.4
151.00418	1.0
152.01170	0.5
160.78508	0.4
165.05615	0.5
168.00702	1.1
169.01445	3.5
170.01801	0.6
171.02023	0.5
195.06711	1.0
200.64922	0.4
211.02505	2.4
212.02834	1.8
213.03082	1.4
247.17117	0.6
263.16626	0.5
271.04593	3.1
272.04996	3.6
273.05124	3.5
317.17529	0.5
318.18195	0.6
333.07477	0.4
373.15903	0.6
421.13010	0.4
442.41388	0.4
445.29248	0.8
463.30682	6.2
464.31110	0.7
480.30490	4.0
523.13690	0.6
523.21649	7.4
523.32690	3.0
524.22864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03452	0.7
59.01385	100.0
60.01716	0.4
61.98841	5.2
63.89326	0.4
67.01875	0.6
69.03449	0.8
69.58452	0.4
70.75480	0.5
71.01394	2.0
73.02956	1.4
78.88162	0.4
79.01887	0.9
83.82353	0.5
85.02956	1.0
87.00852	0.5
87.04533	1.0
95.01396	1.1
97.06589	0.5
101.02468	1.7
107.01413	2.6
111.00900	1.1
113.02464	0.9
121.02997	0.5
123.00896	9.1
124.01685	6.7
125.02460	9.5
126.02823	0.4
129.55235	0.5
139.00389	1.5
140.01234	0.9
141.01923	2.4
151.00398	6.4
157.91493	0.4
159.10301	1.9
163.07689	0.5
165.05635	0.5
166.06384	0.9
168.00693	2.1
169.01460	12.6
170.01743	0.5
172.40224	0.4
199.42447	0.5
209.15323	0.5
211.02539	0.6
221.11827	3.9
234.12622	2.3
235.13397	0.9
245.15430	0.5
257.15497	0.7
259.16852	0.6
269.15521	1.1
285.18604	2.3
303.19675	13.7
304.19843	0.5
313.05649	0.9
377.58392	0.5
427.28394	0.9
445.29678	0.9
463.30695	46.8
464.30936	3.7
498.69962	0.7
523.21881	53.0
524.22180	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	523.3281
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
57.03454	11.5
59.01391	10.2
61.98837	1.0
69.03448	2.2
69.20037	3.8
71.01384	4.6
71.05021	2.7
73.02950	8.4
81.03455	0.9
81.10224	0.7
83.01367	1.1
83.05057	3.8
84.76308	0.7
85.02959	8.8
85.06612	3.9
87.04522	20.2
89.02459	2.6
91.05538	0.8
95.05045	2.3
97.06598	6.4
99.04524	2.6
101.02452	2.1
101.06081	3.4
104.11625	0.7
107.05029	1.2
109.02947	1.8
109.06584	2.2
109.47807	0.5
110.28535	0.6
111.04528	2.1
111.08159	1.4
113.02463	1.7
113.06095	1.4
115.07665	4.7
118.59074	0.7
121.02985	1.5
121.06622	1.3
122.03690	1.1
123.04507	1.0
123.08171	2.4
124.01717	0.6
125.02434	2.2
125.06103	1.1
126.02753	1.2
127.01328	0.6
127.04039	2.8
129.09271	3.4
133.06612	1.4
135.08174	1.7
137.06119	2.1
137.09752	0.8
139.07668	5.0
141.09180	1.3
149.06120	1.0
151.07643	3.9
153.01901	2.9
153.09245	1.5
155.07146	1.4
159.10286	22.2
161.09731	1.2
163.11345	1.0
166.06387	5.1
169.01410	2.3
170.01700	1.0
173.09807	1.6
173.11842	11.1
175.07597	1.1
175.11313	1.3
177.09183	1.3
179.07172	0.8
181.08722	4.6
185.10263	0.8
185.11772	4.0
187.11429	1.6
187.13419	1.8
188.08363	0.6
189.09225	1.8
191.10800	11.9
197.09679	0.7
199.07620	1.5
199.09668	0.8
203.10814	5.1
209.09734	2.3
209.11823	0.8
211.02481	1.5
213.02975	0.8
213.12837	0.8
221.09810	0.8
223.11432	0.9
225.12900	5.0
227.10809	3.7
229.12473	1.3
231.13898	1.4
233.15407	0.8
237.03981	0.7
241.12260	1.6
243.13948	9.4
245.11913	3.1
246.12482	1.7
247.17107	0.9
249.14995	5.8
259.13397	6.2
261.14966	81.3
262.15326	2.5
263.16690	0.8
265.14456	4.8
271.04535	0.6
273.05148	0.9
273.14886	3.5
277.14355	3.2
279.16034	49.0
280.16354	1.9
287.16495	0.9
289.18060	1.1
299.16550	1.0
305.17511	1.0
315.16043	0.8
317.17523	3.2
333.16995	2.5
335.18735	2.2
341.17484	2.0
342.18350	0.9
343.14047	8.1
359.18649	4.1
377.19684	9.7
378.20142	0.9
401.09778	0.8
411.25562	0.8
429.26663	1.5
447.27475	5.9
463.30673	5.9
465.28647	13.7
466.28876	1.3
476.39584	0.8
480.30328	1.6
487.30545	2.3
505.31815	3.4
523.21375	16.3
523.32794	100.0
524.13556	0.8
524.33209	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	523.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61193	0.2
57.03455	6.5
59.01383	5.5
61.98814	0.6
68.56204	0.2
69.03473	1.2
69.45243	0.6
69.83702	0.3
71.01029	0.2
71.01395	2.8
71.05005	1.0
73.02953	3.5
74.16798	0.2
76.44049	0.2
80.61157	0.2
81.03460	0.6
83.01379	0.5
83.05032	1.9
85.02957	3.4
85.06579	0.8
87.04522	3.8
88.98783	0.4
89.02455	1.6
91.05515	0.5
94.36234	0.2
95.05018	0.8
96.96012	0.4
97.02930	0.4
97.06612	2.4
98.22610	0.3
99.04497	0.6
101.02461	1.1
101.06054	0.3
101.49122	0.2
103.04016	0.5
107.01348	0.3
107.05066	1.4
109.02925	0.4
109.06612	1.5
111.00870	0.6
111.04516	0.5
111.08119	0.4
113.02422	0.6
113.06075	0.4
115.07642	0.8
119.03490	0.5
119.05046	0.4
121.02947	0.9
121.06575	0.5
121.86667	0.2
122.03762	0.5
123.00896	0.3
123.04537	0.5
123.08169	1.5
124.01693	3.0
125.02441	0.9
125.06088	0.9
127.00426	0.3
127.04060	0.3
127.07641	0.4
133.06619	1.3
135.04527	0.7
135.08127	0.4
136.98796	0.4
137.06099	1.1
137.09688	0.3
139.00409	0.7
139.07663	1.2
140.01180	0.6
145.02861	0.3
145.08739	2.1
147.04536	0.5
147.08151	0.3
149.02460	0.3
149.06116	0.3
149.09703	0.3
151.07680	2.7
152.99911	0.2
155.07152	0.7
155.10768	0.9
157.06476	0.4
159.10280	4.2
161.09697	0.4
162.03210	0.4
163.07668	0.4
165.05573	1.1
166.06371	0.3
168.00648	1.7
169.01442	3.2
172.55147	0.2
173.09732	1.8
173.11844	0.5
175.07628	0.9
175.11299	0.5
177.05589	0.5
177.09201	0.6
179.07140	0.3
183.03030	0.3
185.09813	0.3
185.11862	5.5
187.11320	0.6
188.08476	0.4
189.09258	1.1
189.12877	0.7
191.10802	14.5
192.11113	0.6
199.09756	0.7
199.11391	0.4
203.08932	0.3
203.10809	5.2
205.12401	1.1
207.13916	0.2
209.09802	0.5
209.11853	0.8
215.14449	0.5
217.12312	0.7
225.09181	0.3
225.12889	1.2
227.10782	3.6
228.11230	0.3
229.01476	0.3
229.12471	0.3
231.13905	0.9
233.15503	0.6
241.12463	1.3
243.13905	11.0
243.16064	1.1
244.14188	0.4
245.11850	2.7
246.12605	1.1
247.02518	0.3
249.14941	1.4
259.13406	5.4
260.13690	0.3
261.14975	16.8
262.15247	0.8
265.14560	0.3
273.15048	0.5
275.01852	0.7
277.14474	4.7
278.15182	0.4
279.16034	100.0
280.16403	4.8
291.15927	0.5
293.14127	0.3
299.12839	0.3
299.16251	0.3
300.99866	0.9
301.18118	0.3
303.19501	0.3
317.10364	0.9
317.17261	0.2
319.19208	0.4
328.13266	0.3
333.13281	0.4
333.17014	2.1
343.15405	0.4
359.18872	0.4
361.16507	2.5
362.17169	0.3
377.19553	2.4
407.24310	0.3
411.25613	0.3
429.26730	0.3
447.27716	0.9
449.25577	1.3
465.28595	4.4
466.28641	0.3
480.30563	0.5
523.14673	1.9
523.21887	2.0
523.32855	15.5
524.22699	0.3
524.33002	1.1
541.64069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	1.4
59.01386	38.9
61.98837	100.0
66.94046	0.5
69.27496	1.0
69.27894	1.9
71.01380	3.7
73.02962	1.5
78.86794	0.6
80.96658	0.6
85.02980	1.1
87.04529	1.5
89.02451	2.8
92.67498	0.6
101.02460	1.3
102.60294	0.6
121.02991	2.0
122.03320	0.8
123.00905	2.0
125.02502	1.2
135.04533	0.7
138.03259	2.4
149.02490	0.6
149.04555	0.6
150.03256	0.9
151.03603	0.8
153.05640	1.1
155.86766	0.6
159.10286	0.9
161.02435	0.5
165.05606	1.7
166.06383	7.2
166.99939	1.5
167.06694	2.7
169.01480	1.0
181.08736	4.1
182.02226	5.8
182.09074	1.6
183.10333	1.3
195.06648	1.3
196.07030	0.7
197.04578	11.8
232.95537	0.6
275.02032	1.6
285.18680	0.9
300.99918	1.5
326.14767	0.7
340.92517	0.6
375.23926	2.1
417.25214	1.2
426.61005	0.5
463.30649	2.4
464.30960	5.2
466.53400	0.8
524.20917	0.8
524.32983	0.9
525.19904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00868	11.9
58.25506	12.4
58.55638	11.1
62.90638	11.9
66.86509	13.2
68.99831	56.7
69.15355	83.3
71.01379	15.5
78.95895	30.9
88.13801	14.9
152.99556	22.8
155.31917	12.0
159.31351	11.8
163.87302	12.1
171.10284	47.4
182.54453	13.3
197.11798	68.8
209.11835	100.0
223.09662	13.7
227.12862	18.9
281.23117	15.0
295.22849	30.2
296.23309	60.8
395.96313	14.5
469.88000	13.2
524.27313	94.1
525.27258	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	525.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01056	0.3
55.01883	0.4
55.59343	0.4
56.65669	0.4
57.03439	0.5
59.01386	2.0
61.98830	3.8
65.00327	0.4
65.18693	0.3
67.01888	1.2
69.03460	1.2
69.33568	1.6
71.01388	2.5
71.57020	0.3
73.02953	1.2
78.01108	0.6
79.01897	0.6
81.03464	1.0
81.38255	0.4
83.01405	0.8
85.02955	1.5
87.00878	0.4
89.02457	0.5
95.01375	1.7
97.02959	1.5
98.22601	0.8
101.02451	1.1
107.01398	8.4
110.00086	0.4
110.67821	0.3
111.00896	2.4
113.02456	0.8
120.91531	0.3
123.00893	12.0
124.00760	0.4
124.01676	15.0
125.02458	35.9
126.02809	0.7
127.00374	1.2
135.04662	0.3
136.98822	0.9
137.02443	0.5
139.00360	3.1
140.01187	2.9
141.01968	1.7
149.02415	0.4
151.00383	7.5
153.01953	1.1
155.10815	2.0
163.04109	0.5
165.05525	0.4
166.99843	0.9
168.00662	8.3
169.01437	38.1
170.01715	0.8
175.03990	0.4
177.02032	0.4
179.03488	0.6
181.01518	0.4
181.05077	0.4
190.02625	0.4
193.05142	0.5
199.09801	0.9
200.10161	0.5
211.02486	1.2
237.04115	0.5
295.04456	0.5
297.05966	0.4
313.05713	1.4
313.85776	0.4
339.10928	0.5
355.10324	6.8
361.15182	0.4
363.15533	0.5
373.11447	22.4
374.11801	1.3
404.16635	0.6
405.16556	0.6
465.23099	0.4
465.28915	0.5
525.12518	100.0
526.12860	7.8
536.20465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27961	0.5
66.03493	1.0
68.13603	0.5
71.15390	0.5
74.02479	0.8
74.05489	0.5
82.02997	12.1
84.04561	3.0
86.06143	1.9
94.03008	0.8
96.04549	4.4
97.02948	0.7
98.06126	9.4
98.61549	0.5
101.07229	0.7
109.04108	2.5
109.04770	0.5
120.08257	1.0
122.06075	0.5
125.02492	0.6
125.03548	0.9
127.05153	13.0
128.03558	59.9
137.07246	0.6
145.06215	20.7
151.08800	2.0
163.08772	2.1
167.01657	0.5
167.08278	0.8
169.01398	0.8
169.09822	0.8
181.09874	0.7
183.99301	1.9
192.99373	0.5
195.07773	1.6
206.10100	0.6
207.07811	0.8
211.14278	0.4
213.08806	4.2
225.08839	1.5
243.09874	100.0
244.10268	2.4
254.97758	0.6
263.03659	1.0
303.95181	0.5
359.81094	0.5
413.65164	0.5
507.11386	1.0
525.13226	1.1
544.49780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17657	0.5
59.01368	1.5
65.00301	0.6
66.89321	0.5
67.01891	0.9
69.03453	1.1
69.62147	0.4
71.01390	4.4
74.95040	0.4
78.01114	0.5
79.01895	1.1
80.12780	0.5
81.03443	1.2
82.00600	0.5
83.01411	0.8
85.02966	1.1
87.00881	0.7
89.02454	0.5
89.31553	0.4
92.78897	0.5
95.01397	2.1
97.02967	1.4
101.02464	1.1
107.01404	9.7
110.00121	0.5
111.00874	2.4
113.02463	0.6
120.01249	1.0
123.00904	9.0
124.01679	12.7
125.02462	53.7
126.02783	0.5
127.00410	1.0
136.98804	1.5
137.02408	0.8
139.00391	2.5
139.04008	1.6
140.01187	3.6
141.01907	1.1
142.23016	0.5
150.03207	0.5
151.00383	4.3
151.03978	1.1
153.01996	0.6
153.05548	0.5
165.01852	0.6
166.99861	0.7
167.03596	0.9
168.00664	5.0
169.01445	59.6
170.01772	1.4
181.01512	0.7
181.05080	9.2
182.05933	2.6
183.02983	3.5
196.07426	7.7
197.08215	2.7
201.66908	0.4
211.02534	1.4
211.09772	2.3
241.03601	1.1
275.01938	0.5
282.95193	0.5
297.06232	3.2
300.99924	0.6
313.05667	13.5
314.05756	0.6
327.07285	2.3
335.42282	0.5
352.03775	0.5
525.16180	100.0
526.16443	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82814	0.7
54.13582	0.7
54.78611	0.6
57.03424	0.7
57.66134	0.6
59.01385	19.1
61.98829	3.2
71.01397	3.4
73.02933	1.0
81.03453	1.1
83.01385	0.8
85.02942	2.1
89.02441	0.8
93.03473	1.2
95.01359	1.5
96.95997	1.2
98.21899	1.5
101.02415	2.2
107.01376	0.7
108.02183	68.6
108.77229	0.6
109.02968	46.6
111.08112	0.9
113.02431	1.7
121.02966	0.8
122.03706	1.9
123.00852	3.4
123.04550	4.0
124.01667	0.8
125.02399	2.9
135.04523	3.0
135.08174	0.7
136.35960	0.6
146.08208	2.7
146.40971	0.7
151.00298	0.9
151.03964	1.8
152.01167	66.4
153.01952	20.7
161.04559	0.8
163.03966	1.4
165.01903	1.0
165.12811	3.8
168.00635	0.9
169.01389	3.5
183.12338	1.0
183.13896	10.8
184.14273	0.9
209.11775	2.2
211.02348	0.7
213.14957	5.4
227.12840	1.9
251.12840	0.8
271.04663	0.8
315.07324	3.1
342.02713	0.7
450.16995	0.7
465.32349	0.7
481.20551	4.3
481.31784	0.8
482.21475	0.8
483.33417	0.9
507.18756	8.6
525.19604	100.0
525.34198	4.1
526.20074	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	525.1984
Annotation	Eucalmaidin C
Peak:m/z	Relative Intensity
53.84426	0.3
59.01386	6.4
60.01719	0.3
61.98838	11.5
67.42162	0.3
71.01405	1.6
71.41348	0.3
72.99315	0.7
73.02946	0.5
78.29443	0.3
83.10043	0.3
85.02991	0.9
87.04530	2.5
88.98872	0.4
89.02480	0.7
95.01397	3.8
101.02461	0.6
107.01405	0.3
109.02986	0.5
113.02478	0.5
119.05138	0.4
121.03003	0.6
123.00901	23.6
123.04602	0.3
124.01694	1.1
125.02464	1.2
135.04558	1.1
137.02464	0.7
138.03250	17.4
149.02464	0.8
150.03163	0.3
151.00488	0.5
153.01959	0.6
153.05594	6.0
165.05667	0.7
166.06259	0.6
166.99878	16.1
168.00427	0.5
169.01422	1.2
179.03560	0.6
181.01466	0.4
182.02243	45.9
183.02608	1.0
190.20750	0.3
195.06613	0.9
196.06966	0.5
197.04581	100.0
197.84531	0.3
198.04962	1.7
224.38734	0.3
231.10429	0.3
238.82376	0.4
239.05717	0.4
275.01981	0.6
276.01974	0.3
300.99979	0.8
319.19022	0.4
365.36853	0.3
388.61081	0.3
411.16510	0.9
464.30624	0.9
465.31363	0.9
479.30087	3.2
480.30664	0.4
525.19769	3.6
525.31696	0.7
532.01392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52893	0.6
59.01383	24.8
60.01704	2.4
61.98835	56.9
62.98531	1.1
67.47970	0.6
71.01380	2.3
72.99300	1.3
73.02956	1.2
85.02938	1.1
87.04495	2.1
89.02433	1.7
95.01402	3.8
99.00883	2.0
101.02431	1.3
109.02903	0.8
118.03005	1.5
119.05038	1.1
121.02962	1.2
123.00895	23.1
124.01658	1.1
125.02466	2.2
135.04515	2.4
137.02524	0.8
138.03246	18.5
139.03885	0.7
143.85121	0.6
148.56593	0.6
153.01857	0.9
153.05605	5.6
161.02678	0.7
165.01907	0.6
165.05653	0.7
166.06335	0.7
166.99870	18.5
167.03477	0.9
168.00508	0.9
169.01459	2.4
172.79562	0.6
179.03412	1.1
181.08688	0.8
181.37183	0.7
182.02226	50.2
183.02512	1.3
197.04561	100.0
198.04900	1.9
219.66330	0.7
294.66739	0.7
319.19156	1.0
340.54968	0.7
345.13486	0.8
411.16858	1.5
418.46954	0.7
437.83157	0.7
464.30902	1.1
465.31607	1.6
479.30310	3.5
525.23029	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	525.1985
Annotation	Eucalmaidin C
Peak:m/z	Relative Intensity
52.04829	0.6
57.03471	0.9
58.88449	0.6
59.01388	37.6
61.98830	2.8
65.92572	0.7
67.01894	0.7
68.99818	0.6
69.03477	0.8
69.19970	3.3
71.01387	7.0
79.01911	1.3
83.01399	1.1
85.02953	1.9
88.98837	0.9
89.02454	6.0
91.26450	0.7
95.01399	2.2
96.95981	0.8
97.02954	1.0
101.02462	4.4
103.00355	0.9
103.01484	1.4
107.01406	3.8
108.02196	0.6
111.00900	0.8
113.02464	2.6
119.03518	2.3
123.00900	13.8
124.01682	11.3
125.02476	17.7
126.02791	0.9
135.04568	1.0
136.98788	1.2
137.02423	2.5
137.06113	6.7
139.00391	2.3
140.01138	2.0
141.01944	2.4
151.00395	8.3
153.01981	1.1
168.00645	4.0
169.01450	20.2
170.01729	1.0
179.80417	0.6
180.04216	0.6
182.05876	8.6
183.10260	2.7
193.12282	1.1
197.08244	8.6
211.02505	11.2
263.93463	0.7
271.04630	11.3
300.99832	0.9
373.18753	1.6
437.14514	0.8
465.32037	1.3
507.18741	11.3
508.18686	0.8
524.35486	1.5
525.19781	100.0
526.20282	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	525.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32637	0.3
51.89542	0.4
56.51848	0.4
57.03448	0.4
59.01386	8.1
61.98838	0.7
67.01891	0.5
69.03468	0.9
71.01395	2.5
73.02952	1.0
79.01894	0.8
81.03452	0.5
83.01396	1.4
85.02956	1.4
89.02475	0.8
92.06725	0.4
95.01390	1.8
97.02957	0.7
101.02451	1.4
107.01419	3.1
109.02953	0.5
111.00890	1.0
113.02463	1.3
116.75189	0.4
123.00906	15.1
123.04520	0.7
124.01678	12.4
125.02480	12.9
126.02850	0.5
134.03780	0.8
135.04539	9.1
136.98868	1.0
139.00435	2.4
140.01154	1.7
141.01959	2.3
149.06114	1.2
151.00392	9.7
153.01892	0.9
153.05638	0.6
163.04016	0.7
168.00656	3.3
169.01451	17.5
170.01768	1.0
179.03537	0.5
181.05217	0.4
194.04358	0.4
211.02499	1.2
212.03009	0.4
213.02933	0.5
271.04736	0.5
273.05246	0.5
275.05487	0.4
277.64169	0.5
300.99854	0.5
344.80038	0.5
463.20056	0.5
525.23407	100.0
526.23956	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	525.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89759	0.6
57.03455	0.6
59.01387	9.6
61.33658	0.6
61.98829	4.9
68.24832	0.6
69.50625	2.5
69.50990	0.8
71.01377	3.3
73.02951	3.3
83.01388	1.0
85.02962	0.9
88.60639	0.6
93.03485	1.4
95.01435	0.8
95.05023	1.9
97.06580	0.8
101.02466	3.0
107.05055	0.9
111.08178	0.8
113.02490	1.5
121.03011	1.0
122.03776	1.5
123.04537	100.0
124.04866	2.4
125.02417	1.1
135.04535	2.0
149.79137	0.6
153.05591	86.2
154.05968	1.9
161.90584	0.6
165.12834	8.1
169.01419	2.3
183.13908	20.1
184.14267	1.1
189.12961	0.8
203.14363	0.9
207.13918	2.7
209.11853	1.3
213.14946	0.7
221.15440	1.5
227.12955	11.4
231.13905	1.1
233.11728	3.1
249.14977	2.3
251.12840	7.4
265.14450	3.6
269.14032	1.2
275.12888	2.9
293.13983	24.8
294.14313	1.6
311.15097	1.1
371.17114	10.1
450.16885	1.2
525.23401	38.1
526.23914	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	525.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.3
57.03440	0.4
59.01385	2.7
61.98836	1.2
65.00323	0.3
67.01889	0.8
68.99813	0.3
69.03441	0.6
69.15564	1.2
70.88275	0.2
71.01385	2.1
72.99293	0.3
73.02952	1.0
77.90368	0.2
78.01111	0.5
79.01885	0.7
80.21982	0.2
81.03452	0.4
82.00591	0.2
83.01390	0.8
85.02968	1.4
86.00082	0.4
95.01392	1.9
97.02958	1.2
98.26790	0.2
99.00873	0.4
101.02451	1.7
107.01402	3.4
109.02959	0.4
110.00102	0.3
111.00861	1.2
113.02482	0.5
118.54894	0.2
121.02991	0.4
123.00897	13.9
124.00734	0.3
124.01675	11.7
125.02463	13.5
126.02800	0.4
127.00346	0.6
127.04573	0.2
136.98801	0.8
137.02473	0.3
138.96571	0.2
139.00383	1.9
139.03984	0.3
140.01198	1.8
141.01959	2.4
149.02434	0.5
151.00388	10.4
152.00647	0.2
153.01956	4.0
154.99948	0.2
163.03979	0.3
164.04840	0.2
166.06354	0.3
166.99907	0.4
167.03519	0.3
168.00642	3.6
169.01437	17.1
170.90112	0.2
177.01936	0.6
177.04092	0.4
179.03458	0.3
181.05090	0.4
183.03084	0.4
195.02979	0.7
211.02490	1.1
211.17154	0.4
222.90384	0.2
241.03606	0.3
247.02527	0.3
253.03513	0.3
271.04596	1.1
313.05658	1.2
329.05176	0.3
332.31799	0.3
343.11896	0.4
348.08499	0.6
353.79254	0.2
363.10803	3.3
451.02023	0.2
463.25073	0.3
465.23245	0.4
525.23413	100.0
526.23724	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07631	0.5
55.01878	0.6
57.03431	0.7
59.01382	7.5
61.98832	2.3
67.01874	0.4
69.03444	0.8
69.56335	0.4
71.01389	3.2
73.02936	1.2
78.01125	0.5
79.01902	0.9
83.01397	1.3
85.02975	2.0
89.02452	0.7
95.01397	2.0
96.95990	0.5
97.02950	0.7
98.21844	0.8
101.02457	2.2
107.01394	3.2
111.00906	1.0
113.02468	1.3
121.81670	0.4
123.00900	16.3
123.04448	0.6
124.01681	10.5
125.02462	15.0
126.02808	0.5
127.00342	0.6
135.04529	0.7
136.98853	0.6
139.00403	2.4
140.01122	1.9
141.01958	3.0
150.03267	0.6
151.00386	11.9
153.01950	1.1
164.04744	0.5
165.05606	0.8
168.00661	3.2
169.01437	19.0
170.01791	0.6
179.03568	0.6
179.07141	0.8
181.05130	0.4
183.10271	1.7
195.06827	0.4
197.04767	0.4
211.02466	1.0
247.86205	0.4
271.04532	0.4
313.05743	1.4
464.30823	0.7
465.31622	1.1
477.19452	0.7
525.23480	100.0
526.16638	0.5
526.23907	6.7
526.31262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2707
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
55.01884	0.8
57.03437	1.1
59.01385	3.9
67.01878	0.7
68.16443	0.4
69.03456	8.7
71.01384	2.4
71.05025	3.6
71.42179	0.5
80.02673	2.1
81.03458	2.8
83.01389	2.6
83.05032	7.7
84.02168	1.4
85.42295	0.4
95.05028	1.7
97.02966	1.0
97.06598	2.4
99.00874	0.8
102.46890	0.4
109.03017	0.5
109.06605	1.0
110.03758	0.4
111.04500	0.5
119.74373	0.3
123.04534	0.6
123.08162	2.7
125.06096	1.1
125.09729	6.2
126.10084	0.3
135.08165	1.8
137.09761	1.1
149.09741	1.0
151.11292	5.8
153.12906	1.9
161.09731	10.6
162.09969	0.5
163.11301	5.6
165.12842	3.3
167.03531	0.5
171.10295	0.7
175.30774	0.4
179.10793	31.2
180.11098	0.9
181.12355	1.9
182.11685	0.4
185.11835	1.5
191.10826	1.4
197.11839	100.0
198.12152	3.0
199.13399	0.5
205.08627	0.5
207.10251	1.3
209.11844	77.7
210.12115	2.4
217.41397	0.4
221.11887	1.1
223.09819	4.0
225.11298	2.0
227.12910	10.9
237.15012	0.5
241.10832	15.5
243.12425	0.4
297.13458	7.2
298.13699	0.3
315.14496	21.3
316.15054	0.8
389.23297	1.9
445.25894	0.6
463.27176	1.6
507.25949	3.3
509.43445	0.4
525.27087	77.7
526.27448	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	525.284
Annotation	Unknow
Peak:m/z	Relative Intensity
73.05477	74.8
157.49918	100.0
169.75203	70.2
311.40259	73.8
355.48160	71.9
506.02856	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96592	0.6
57.69621	0.6
59.01385	100.0
60.53196	0.7
61.98835	3.2
67.88750	0.7
69.24516	4.4
118.14737	0.7
200.92494	0.7
218.16087	0.8
465.32278	9.5
525.34662	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	525.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01386	100.0
60.01727	0.8
61.98844	1.5
68.94895	0.3
69.19016	1.3
69.19424	0.5
69.20893	0.3
71.01398	1.3
73.02954	0.9
83.05054	0.5
85.02986	0.5
89.02454	1.6
91.55951	0.3
96.96032	0.6
99.00889	0.4
101.02485	1.0
113.02480	0.3
123.00949	0.4
124.01685	1.8
125.02466	0.8
131.03506	0.4
135.04601	1.1
139.00494	0.3
149.04634	1.0
159.10399	0.4
168.00745	1.0
169.01469	0.8
183.10371	0.5
209.34334	0.3
215.14552	0.3
285.18564	0.6
303.19601	0.4
305.14078	0.4
429.30399	0.4
447.31540	0.5
465.32251	8.5
465.38858	0.5
466.32721	0.6
483.19452	0.4
524.86395	1.0
525.19336	3.0
525.34930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05073	0.3
57.03446	0.4
59.01386	100.0
59.85976	0.4
61.98838	2.8
63.90747	0.3
67.65504	0.3
69.51188	0.8
69.51598	1.0
71.01396	1.5
73.02972	0.5
76.49196	0.3
78.91891	0.8
79.70215	0.4
85.02960	0.8
89.02486	0.4
96.96046	0.8
101.02480	0.8
111.00926	0.4
123.00913	2.0
124.01691	2.1
125.02483	4.8
135.04604	0.5
137.02464	4.5
139.00453	0.4
143.10915	0.4
151.00415	0.7
151.04057	0.8
153.02129	0.5
163.04095	0.4
168.00691	1.0
169.01439	4.9
175.03984	0.3
176.65874	0.3
182.05856	19.9
183.06268	0.7
183.10312	0.5
194.30534	0.4
195.06685	0.4
197.08211	21.9
198.08600	0.6
211.02550	0.9
263.82605	0.4
271.04651	0.6
275.01901	0.4
276.68002	0.4
285.18884	0.5
303.19800	1.4
347.18729	0.6
363.17911	0.4
363.22287	0.5
443.72726	0.4
465.32230	10.3
466.32663	0.8
507.18872	0.6
525.23425	8.9
525.34680	1.8
526.23572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98837	100.0
62.34805	0.2
65.91105	0.3
71.01385	0.9
107.01408	0.2
119.30138	0.2
121.02990	0.7
123.00955	0.5
124.01705	0.3
125.02434	1.3
148.74811	0.2
149.02458	1.8
150.02907	0.7
153.01924	0.3
154.97263	0.2
164.04839	0.5
166.06358	1.7
167.06816	0.6
169.01436	1.5
176.98213	0.2
181.08768	1.1
182.09085	0.6
189.37239	0.2
201.11407	0.3
211.02490	0.4
236.52209	0.3
275.02234	0.3
300.99960	0.8
329.10556	0.3
343.12012	0.6
344.12326	1.1
498.46353	0.3
526.14227	0.4
526.21960	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	526.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42561	0.4
59.01392	3.9
60.01736	0.5
61.98836	100.0
63.89780	0.4
63.99263	0.5
66.31894	0.4
71.01412	1.0
73.02988	0.5
73.17132	0.4
85.02962	0.7
95.01395	0.5
96.95989	0.5
122.03742	0.6
123.00913	1.7
124.01724	0.6
125.02496	1.0
138.03287	0.9
140.15480	0.5
147.04532	0.9
149.02417	1.1
150.03287	2.2
151.03624	1.0
159.04520	0.8
160.05295	0.6
161.06038	0.6
162.06660	0.6
164.04781	0.6
165.05592	1.7
166.05965	0.5
168.00632	0.6
169.01483	1.7
178.06039	0.4
179.07027	0.6
182.02303	0.9
183.10327	1.1
191.55238	0.5
197.04605	1.8
219.93037	0.5
271.04623	0.5
329.14090	0.9
330.14426	1.8
341.49832	0.5
347.18579	0.8
347.97012	0.5
365.19748	0.9
407.21027	0.7
466.32022	1.8
478.19589	5.8
493.09232	0.5
526.22925	1.8
527.25598	1.9
535.63055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.6
60.01717	1.4
61.01820	2.1
61.66563	0.4
61.98837	100.0
63.52694	0.3
63.99248	0.5
69.19749	1.7
69.20164	0.8
80.96508	0.4
85.02950	0.4
89.02493	0.4
96.96046	1.7
98.22701	0.4
100.38250	0.3
121.02995	0.5
123.00855	0.6
124.01690	0.8
125.02452	0.6
139.04121	0.6
161.04536	0.4
165.05670	0.4
166.06364	0.5
169.01453	0.8
216.88370	0.3
240.04314	0.4
244.09866	0.4
282.09143	0.4
306.90622	0.4
314.11282	0.9
466.32355	1.4
467.12363	0.5
478.19864	0.6
526.23315	0.5
527.21259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51056	0.3
59.01088	0.5
59.01381	7.2
60.01715	1.0
61.01809	0.5
61.98836	100.0
63.99251	1.0
64.19875	0.3
69.45524	0.4
71.01388	1.6
71.43546	0.5
73.02948	0.7
83.01394	0.7
83.05034	0.4
85.02979	0.5
85.03861	0.3
89.02489	0.6
95.01422	0.6
96.96065	0.3
101.02465	1.2
115.90943	0.3
116.09798	0.3
123.00891	2.7
124.01711	7.1
125.02043	1.6
125.02646	0.6
137.09773	1.3
138.03265	0.5
138.10049	0.5
139.00348	0.4
139.04039	6.3
139.05006	0.5
140.04366	2.2
152.24973	0.4
163.07693	1.2
164.08054	0.4
166.99947	0.4
169.01389	1.6
176.80782	0.3
179.10815	0.8
181.08789	0.4
182.02293	0.7
182.09106	0.7
183.02612	0.4
197.04553	1.9
197.11993	0.3
198.04968	0.5
223.09850	0.6
255.18840	0.4
300.99976	0.3
301.03665	0.4
341.13947	0.6
347.98331	0.3
465.31415	0.5
466.31876	2.3
480.30624	0.5
508.18951	0.6
526.20117	9.6
527.26013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20856	52.8
53.42342	48.0
59.09027	51.0
60.07272	61.7
66.67774	48.2
67.72195	51.4
93.06792	63.2
139.68318	55.4
356.70007	65.2
488.34244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95196	0.6
57.44684	0.4
59.01390	0.9
60.48644	0.4
67.01893	0.7
69.03445	0.7
69.58434	2.3
71.01381	2.1
73.02957	0.6
79.01884	0.8
81.03461	0.9
83.01390	0.8
85.02943	0.9
86.85365	0.6
95.01413	1.9
97.02968	0.9
98.21847	1.0
101.02438	1.5
105.83054	0.5
106.59498	0.5
107.01404	8.2
111.00924	0.9
113.02453	1.8
114.20774	0.5
121.02961	0.7
121.95944	0.6
122.03745	2.2
123.00012	0.6
123.00901	11.8
123.04518	0.6
124.01679	8.7
125.02460	44.8
126.02793	1.1
129.30539	0.5
136.98837	0.8
137.02441	1.0
139.00386	1.7
139.04102	0.5
140.01193	1.2
141.01923	2.0
149.02414	0.8
150.03236	16.8
151.00386	8.1
151.04005	3.0
153.01962	0.6
165.05579	15.5
166.99844	0.7
167.03513	0.6
168.00665	3.6
169.01434	62.4
170.01793	1.6
183.02977	2.2
211.02496	1.7
214.99847	0.8
241.03552	1.5
253.03525	0.8
275.01962	0.6
285.06131	0.8
297.06244	0.6
301.00372	0.6
302.00241	0.7
313.05658	18.2
327.07108	1.1
479.11847	5.2
509.12918	0.9
527.14087	100.0
528.14429	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	527.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76538	1.0
59.01383	3.1
69.54618	4.3
71.01375	4.2
78.01112	1.3
79.01894	2.0
85.02928	1.5
86.00079	1.3
87.00897	2.3
95.01374	4.0
97.02989	2.3
101.02441	2.3
101.36768	1.1
101.48659	1.0
103.19833	1.0
107.01395	11.7
108.02179	2.8
110.00059	1.1
111.00856	3.5
113.02473	1.8
122.03741	2.8
123.00901	27.0
123.04555	2.1
124.01680	33.8
125.02463	63.0
126.02841	1.0
136.98779	3.3
137.02530	1.7
139.00430	5.2
139.04010	1.6
140.01166	5.1
141.01945	4.4
145.02950	1.2
149.02470	6.5
150.03247	26.8
151.00378	14.1
151.03970	4.1
161.02528	1.2
162.03287	2.7
163.03998	2.5
164.04803	3.2
165.05598	17.5
166.99857	2.7
168.00684	13.3
169.01450	82.8
170.01833	1.3
179.03558	1.3
183.03055	8.6
193.01453	1.0
195.06622	2.6
211.02467	5.9
225.04071	8.1
241.03618	2.3
250.89824	0.9
255.05205	1.3
271.04636	3.9
285.06223	11.2
297.06165	3.9
313.05725	21.7
318.95782	1.1
327.07349	1.8
329.47058	1.2
345.08121	1.3
373.07858	1.7
385.07727	9.1
479.12000	95.0
480.12344	6.4
509.12921	14.1
527.14124	100.0
528.14423	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	527.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
62.82158	1.2
67.01892	2.1
69.09327	1.0
69.32482	1.6
69.32899	4.4
71.01377	3.8
71.52757	1.1
73.02937	1.1
79.01907	2.8
82.00636	1.0
85.02951	2.0
87.00883	3.0
95.01393	2.1
97.02964	2.4
101.02445	3.1
107.01408	13.8
108.02207	1.4
111.00871	2.6
122.03796	1.8
123.00896	24.5
123.04531	3.0
124.01682	39.0
125.02464	65.3
127.00385	1.5
136.98845	2.6
137.02434	1.6
139.00398	4.0
139.04025	2.3
140.01202	5.1
141.01939	4.5
149.02472	9.2
150.03241	30.6
150.04373	2.3
151.00406	12.7
151.03966	2.7
153.01970	1.3
154.99873	1.2
162.03191	2.2
163.04036	1.6
164.04785	3.1
165.05594	14.5
166.99940	1.5
168.00636	11.5
169.01448	72.3
170.01730	1.9
174.66817	1.1
181.04959	1.3
183.03001	6.3
193.05092	1.1
195.06737	1.5
196.77032	1.1
210.01691	2.7
211.02478	4.1
225.03987	7.2
240.51668	1.2
241.03529	1.2
253.03513	1.8
271.04541	3.1
285.06152	10.6
297.06207	3.9
313.05750	18.7
327.07343	1.9
355.29993	1.3
358.21698	1.2
373.07684	1.4
385.07806	9.9
447.50958	1.3
479.11990	91.6
480.12308	6.8
491.12396	1.7
507.97852	1.3
509.13095	17.5
527.14117	100.0
528.14459	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	527.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
71.01379	4.2
81.03463	1.0
83.01394	1.1
85.02973	2.2
87.00854	1.8
89.02450	1.1
93.77757	0.8
95.01392	2.2
95.84875	0.9
97.03006	1.0
98.22564	1.1
101.02434	2.4
107.01398	9.9
111.00895	1.6
112.11893	0.9
113.02441	2.5
120.24123	0.9
121.02924	1.4
122.03730	1.9
123.00907	19.1
123.04483	1.3
124.01679	16.3
125.02458	48.9
126.02840	1.2
126.76547	0.9
127.00395	1.4
134.41049	0.9
136.98808	1.3
137.02446	1.2
138.03177	1.4
139.00357	3.2
139.04008	1.7
140.01135	3.6
141.01941	3.1
147.03067	1.5
149.02478	5.0
150.03235	19.2
150.19373	1.0
151.00378	9.6
151.03966	3.2
153.01955	1.3
161.02470	1.1
162.03249	1.1
163.03998	1.7
164.04752	1.3
165.05591	18.3
167.03445	1.5
168.00650	9.2
169.01437	77.1
170.01773	1.5
179.03506	1.5
180.04253	1.5
183.02983	6.3
184.98528	1.2
195.06592	1.6
210.01779	1.1
211.02455	6.2
225.04088	4.4
241.03598	1.4
271.04556	5.2
285.06314	5.6
297.06100	1.9
300.99829	1.0
313.05655	17.6
327.07101	1.7
347.00552	1.3
373.08093	0.9
385.07779	5.8
403.17157	0.9
409.02499	0.9
479.11975	47.5
480.12399	2.3
483.08240	1.3
509.13028	13.9
510.12695	1.2
527.14124	100.0
528.14069	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61568	1.8
59.01381	17.7
60.52578	1.9
61.01809	2.1
61.98837	100.0
71.01381	5.6
89.02463	6.5
90.29768	1.8
93.03436	2.2
99.00814	1.8
102.27570	2.2
110.42733	1.9
113.02486	2.0
121.02946	2.4
122.03716	2.8
124.01694	2.5
125.02458	2.9
131.64418	2.0
149.04524	2.4
153.01855	3.0
155.10756	4.1
168.04315	6.1
169.01379	2.8
183.06654	14.8
199.09824	4.1
283.09482	3.5
311.09244	9.3
326.11594	8.4
341.14014	19.9
527.24414	2.2
552.80676	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03703	12.2
59.01371	26.2
69.45291	69.8
89.02451	31.0
98.22640	33.1
125.02373	16.6
142.28554	15.4
146.25343	12.8
193.65204	13.6
255.10663	14.7
311.09164	54.7
326.11569	29.8
334.98932	17.3
341.14041	100.0
527.22601	35.7
551.35345	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	527.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80380	1.5
59.01382	10.3
61.98836	100.0
63.08945	1.7
69.72354	5.3
71.01383	3.3
83.01421	2.3
89.02417	4.1
96.95981	2.9
101.02454	2.9
107.01372	1.9
118.95352	1.6
123.06469	2.0
124.01646	2.8
125.02431	3.8
139.00388	4.3
139.04047	2.6
140.01193	2.1
161.04552	2.0
169.01428	3.9
229.05133	1.9
283.10052	1.8
311.09290	5.9
326.11563	5.0
341.14001	8.4
389.19885	2.3
464.16788	2.0
466.75613	2.1
483.68845	1.8
500.55185	1.8
509.51822	2.0
527.17511	6.1
527.24872	4.2
550.70398	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72821	8.5
59.01388	15.3
60.26569	7.4
61.98835	100.0
62.70245	7.3
63.03760	7.1
69.14578	49.4
79.82551	6.6
87.29111	7.1
98.22607	18.4
116.94948	7.3
125.02461	18.0
169.01408	25.1
170.55975	7.6
186.14630	7.2
188.80057	7.2
211.02530	9.5
271.04391	8.6
338.56891	7.2
359.15176	11.4
491.19327	28.4
518.16693	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	527.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76276	5.8
59.01386	30.0
61.98832	100.0
69.74610	7.1
69.74934	12.5
71.01373	10.7
78.91888	6.1
85.02948	8.4
89.02445	9.1
93.03402	5.6
95.01347	7.3
96.96003	10.6
101.02467	13.0
103.41161	4.8
107.01439	6.3
109.02932	5.6
113.02445	7.8
119.03542	5.7
123.00880	29.4
123.04462	6.1
124.01679	19.0
125.02483	49.3
135.04539	17.8
151.00362	20.2
151.04022	16.1
169.01445	48.6
178.70943	4.6
180.51474	4.5
211.02484	14.0
271.04651	19.2
275.01965	6.2
300.99911	7.9
323.01724	7.4
326.52390	5.1
375.06522	5.7
434.23886	5.1
480.30457	6.1
481.31665	6.7
491.19427	12.1
527.09509	5.8
527.22241	85.7
527.30243	8.0
527.32739	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	527.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32125	0.8
59.01387	27.9
61.98829	1.2
71.01018	1.2
71.01389	14.8
72.78223	0.8
83.01363	1.3
85.02947	3.2
89.02452	13.9
95.01402	2.0
96.96042	1.2
97.02969	0.9
98.22561	0.9
101.02441	8.4
102.84332	0.8
107.01368	3.1
110.39718	0.8
111.00932	0.8
113.01744	0.9
113.02462	6.4
119.03491	5.5
123.00900	9.8
124.01692	4.9
125.02460	15.6
138.02020	1.0
139.00343	1.8
140.01189	1.2
141.01944	1.6
151.00403	5.7
153.01872	0.9
168.00662	6.3
169.01436	21.6
171.10271	1.5
179.05598	2.0
195.13956	4.7
209.11824	3.2
211.02480	24.1
212.02654	1.0
213.15054	1.0
225.11313	1.4
227.12881	1.5
241.03662	1.1
271.04623	30.0
291.19540	1.7
331.06680	1.7
375.20261	5.4
451.17062	4.8
509.20441	1.7
509.35095	0.9
527.21295	100.0
528.21436	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	527.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34187	1.2
57.03434	1.4
59.01390	14.3
61.98836	9.0
62.66193	1.1
67.39503	1.2
69.03441	1.4
69.59521	2.2
69.59881	3.4
71.01385	8.2
72.98531	1.1
73.02942	2.5
74.70518	1.1
81.03468	2.5
83.01409	1.4
85.02971	4.2
87.00877	1.3
89.02470	2.5
95.01409	1.3
96.96004	5.8
97.02938	1.9
98.22733	1.5
101.02432	4.0
104.06959	1.3
109.06623	4.4
113.02492	2.3
123.00912	5.2
123.04539	4.3
124.01688	6.9
125.02459	84.6
126.02853	1.9
127.07666	17.4
139.00391	2.1
145.02946	1.7
151.00407	2.2
153.05629	6.1
165.48422	1.2
168.00636	8.7
169.01445	100.0
170.01787	2.0
182.15195	1.3
184.31598	1.2
187.11229	1.6
189.09210	1.5
211.02538	2.3
223.13483	3.5
267.12289	1.8
276.03745	1.4
299.99091	1.9
313.05737	2.4
331.06610	1.4
369.15552	1.6
429.17322	1.9
467.34747	1.3
509.17642	1.4
527.21497	65.9
527.28253	9.7
527.36279	2.6
528.22021	4.7
552.66125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2139
Annotation	Dutasteride
Peak:m/z	Relative Intensity
59.01385	19.2
61.98819	0.8
64.56657	0.5
67.01911	1.1
69.03462	0.9
69.07589	1.0
69.07995	2.2
71.01387	10.1
78.01123	0.6
78.91901	0.8
79.01900	1.1
81.03470	0.7
81.24891	0.5
83.01384	1.0
84.22571	0.5
85.02965	2.3
87.00878	0.6
89.02456	9.2
95.01395	2.8
96.96055	0.5
97.02946	0.6
98.21875	0.8
101.02454	8.5
107.01414	3.8
110.46629	0.7
111.00880	1.6
112.88012	0.5
113.02458	3.3
119.03537	3.1
123.00903	16.0
124.01686	10.2
125.02463	14.8
127.00451	0.7
135.04541	0.7
136.98750	0.9
139.00406	2.4
140.01155	1.3
141.01984	3.1
147.04509	0.5
151.00392	8.2
153.01938	0.6
168.00690	3.7
169.01447	13.5
169.02811	1.1
183.10167	0.6
188.22115	0.5
195.13914	6.2
209.11853	0.7
211.02518	2.6
213.14952	4.2
271.04568	1.9
313.05655	0.7
357.19098	0.7
375.20276	33.7
376.20447	1.6
509.20239	2.1
527.21381	100.0
528.21741	8.8
543.79926	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	527.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
58.00580	0.7
59.01387	7.9
60.79407	0.4
61.98820	1.5
67.01894	1.4
69.03462	1.1
69.65013	0.5
70.03847	1.1
71.01385	6.9
72.99321	0.6
73.02949	3.1
76.27374	0.5
79.01899	2.8
79.21149	0.4
81.03445	0.9
82.95426	0.7
83.01364	1.2
84.95117	3.4
85.02948	1.3
87.00878	0.5
89.02438	1.2
93.03558	0.4
95.01393	2.6
96.96025	1.1
97.02956	1.8
98.22573	0.9
101.02448	1.8
107.01392	9.5
107.05077	0.7
109.02991	0.5
110.36353	0.4
111.00888	1.5
113.02448	2.3
123.00896	29.9
124.01727	4.2
125.02459	34.7
125.06094	0.6
137.02403	1.0
139.00381	3.8
139.03966	0.5
139.07637	0.5
140.01135	1.5
141.01962	4.5
148.32153	0.4
151.00386	17.9
153.01945	1.5
155.03540	0.5
157.32426	0.4
165.01971	1.1
167.03485	1.2
167.14491	0.8
168.00653	2.8
169.01439	51.0
170.01773	0.8
179.14487	0.6
183.03033	1.4
183.13902	1.8
184.61018	0.4
191.14459	0.8
193.01424	1.4
195.02953	0.6
195.13895	2.3
197.15448	1.1
209.11670	0.6
209.15465	1.9
211.02496	8.7
213.14996	7.5
217.82854	0.4
223.02519	0.7
227.16499	3.4
237.14989	2.0
253.03545	1.4
255.15976	1.7
271.04730	1.3
286.51382	0.5
300.99857	0.5
302.11594	0.5
313.05667	2.9
365.15869	0.7
440.96933	0.5
467.19080	1.4
527.21344	100.0
527.35150	2.4
528.21674	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	527.2138
Annotation	Dutasteride
Peak:m/z	Relative Intensity
50.32125	0.8
59.01387	27.9
61.98829	1.2
71.01018	1.2
71.01389	14.8
72.78223	0.8
83.01363	1.3
85.02947	3.2
89.02452	13.9
95.01402	2.0
96.96042	1.2
97.02969	0.9
98.22561	0.9
101.02441	8.4
102.84332	0.8
107.01368	3.1
110.39718	0.8
111.00932	0.8
113.01744	0.9
113.02462	6.4
119.03491	5.5
123.00900	9.8
124.01692	4.9
125.02460	15.6
138.02020	1.0
139.00343	1.8
140.01189	1.2
141.01944	1.6
151.00403	5.7
153.01872	0.9
168.00662	6.3
169.01436	21.6
171.10271	1.5
179.05598	2.0
195.13956	4.7
209.11824	3.2
211.02480	24.1
212.02654	1.0
213.15054	1.0
225.11313	1.4
227.12881	1.5
241.03662	1.1
271.04623	30.0
291.19540	1.7
331.06680	1.7
375.20261	5.4
451.17062	4.8
509.20441	1.7
509.35095	0.9
527.21295	100.0
528.21436	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	527.2139
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.01877	0.8
57.03463	0.6
59.01386	14.6
61.98830	1.6
65.29595	0.4
67.01896	1.0
69.03461	1.0
71.01390	7.0
71.05022	0.7
72.05059	0.5
73.02977	0.5
78.12263	0.4
79.01920	1.0
81.03462	0.8
83.01394	0.8
83.05036	0.8
85.02979	1.3
85.07724	0.4
89.02443	5.6
95.01404	1.2
97.02959	1.5
97.06579	0.6
99.00884	2.0
101.02466	5.6
107.01398	5.5
110.00080	0.5
111.00899	1.1
113.02448	2.7
119.03517	2.5
123.00898	8.1
124.01684	7.1
125.02461	32.1
125.09743	1.4
126.32796	0.4
127.00402	0.5
130.35809	0.5
132.57047	0.4
136.98795	0.9
137.02466	0.6
139.00383	1.8
139.04007	0.8
140.01198	1.9
141.01978	1.8
151.00365	4.1
159.06387	0.5
163.11325	2.0
165.12756	0.5
167.03363	0.7
168.00647	3.2
169.01439	40.4
179.05681	0.8
181.12386	3.3
183.02925	0.7
193.01378	0.5
195.13968	1.8
199.13394	4.3
207.10291	3.8
209.11850	10.1
210.12186	0.5
211.02490	3.1
213.15012	0.9
225.11345	10.3
227.12920	1.3
243.12402	3.3
265.07507	0.5
271.04593	1.2
291.19864	0.7
299.14984	0.8
313.05695	0.8
317.16101	3.3
331.06763	1.5
365.84824	0.5
375.20068	1.1
407.32877	0.5
527.21417	100.0
527.28638	11.1
528.21826	5.7
528.28955	0.9
530.24109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2501
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
50.74001	0.2
55.01884	0.3
59.01380	2.5
67.01873	0.7
69.03461	0.4
69.74500	0.2
71.01379	1.9
73.02935	0.7
78.01092	0.5
79.01907	0.8
79.50928	0.2
82.00603	0.3
83.01379	0.9
85.02956	1.0
95.01384	1.4
96.96011	0.3
97.02977	0.4
97.53918	0.2
101.02455	1.6
107.01417	2.6
111.00902	1.5
112.54229	0.2
113.02443	0.7
123.00896	13.7
124.01678	12.0
124.02620	0.3
125.02457	11.4
127.00414	0.4
136.98770	0.6
139.00388	1.9
140.01178	1.5
141.01949	2.4
151.00381	8.0
151.04106	0.4
153.01929	0.7
163.04080	0.3
165.05734	0.2
168.00668	3.1
169.01437	14.0
170.01682	0.3
179.03496	0.4
181.04907	0.2
203.68277	0.2
211.02470	0.9
253.03674	0.4
271.04575	0.6
290.28619	0.3
313.05637	1.2
342.40933	0.3
470.35193	0.3
527.24976	100.0
528.25366	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	527.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58111	1.2
51.88157	1.1
58.53192	1.3
59.01380	6.4
61.98833	19.9
69.27245	7.6
70.04803	1.1
71.01364	1.2
72.30029	1.1
78.91893	7.5
79.95740	3.0
96.96021	79.0
98.21926	3.0
114.56135	1.3
125.02399	2.1
154.08308	1.3
164.87003	1.3
169.01480	2.1
349.93546	1.3
379.05002	1.8
435.39874	1.4
527.26923	100.0
528.27197	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75779	1.5
51.18834	1.5
54.68310	1.7
58.00576	2.2
59.01379	7.1
71.01388	32.1
73.02953	2.2
80.02648	2.2
81.03453	3.6
83.05045	10.1
84.52483	1.7
97.06611	1.8
98.22719	2.8
101.79421	1.8
109.06584	3.4
110.84380	2.0
111.04534	2.7
118.91671	1.6
122.03693	2.5
123.08179	2.6
125.09747	8.0
127.11282	2.5
161.09804	2.4
163.11282	10.2
165.12888	3.4
167.03487	2.2
171.10287	38.8
181.12331	3.0
185.11871	5.0
189.12840	2.5
197.11877	4.5
201.11340	44.1
203.73586	2.0
207.10265	6.2
209.11844	100.0
210.12184	2.0
221.11861	3.8
223.13466	6.9
225.11346	17.5
227.12892	12.5
233.11862	5.1
239.12758	2.4
243.12550	1.9
251.12906	37.7
252.13251	1.9
262.07074	1.7
263.12906	5.3
269.13858	4.3
281.13925	4.7
281.91971	1.8
291.19769	2.3
317.15970	3.2
380.06360	2.0
417.22647	4.6
435.23874	3.8
453.24942	6.8
491.26657	4.8
509.27704	10.6
527.28528	31.2
528.29138	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	527.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01384	7.7
69.28714	1.8
71.01386	4.5
72.74458	0.4
73.02937	1.1
83.05026	0.8
85.02930	0.9
87.00872	0.8
89.02457	3.4
93.03452	0.5
101.02446	4.3
109.06628	0.7
111.08169	7.7
113.02467	1.4
119.03536	0.8
120.89123	0.4
125.02454	0.5
125.09780	0.6
137.09735	0.8
143.03494	0.6
149.09708	0.6
161.04570	1.3
167.10806	2.0
171.10324	0.5
177.12895	1.8
177.70393	0.5
179.05574	0.4
179.10831	2.0
195.13908	6.1
203.14313	0.4
209.11876	0.9
225.11537	0.5
247.20694	2.1
253.09300	16.2
273.18616	0.8
291.19681	100.0
292.20032	3.5
354.74011	0.4
432.87897	0.4
455.33423	0.5
527.28363	2.0
546.61987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01805	1.5
57.03464	1.9
59.01385	19.6
61.09286	1.3
61.98847	2.5
67.68443	1.1
71.01399	12.4
71.05032	5.9
73.43221	1.4
80.02685	3.4
81.03450	2.8
83.01390	2.7
83.05032	8.5
84.02200	1.8
85.02979	3.1
89.02458	5.5
95.01398	2.0
95.05031	2.3
96.26581	1.7
97.02975	6.3
97.06593	3.2
98.22734	2.1
99.00899	18.2
101.02447	4.4
106.85645	1.4
107.01412	4.0
109.06617	2.4
109.42566	1.6
111.00889	2.7
113.02468	3.8
123.00882	7.1
123.08183	3.2
124.01678	5.0
125.02446	29.6
125.09731	13.8
135.08228	1.7
151.00415	3.9
153.12982	1.9
155.14473	1.9
163.11299	20.9
165.12936	2.3
168.00676	2.6
169.01442	30.7
171.10281	2.7
181.12357	24.4
182.64671	1.5
191.10706	2.4
195.13959	2.9
197.11823	2.2
199.13419	33.5
201.11273	1.6
207.10280	35.7
209.11848	96.4
210.12166	3.9
211.02533	1.8
215.12888	1.3
225.11342	87.5
226.11646	2.7
226.57791	1.7
227.12903	10.7
243.12379	20.4
279.72354	1.7
291.19876	2.4
299.14990	8.6
317.16031	31.9
404.53229	1.9
509.27826	3.0
526.96906	2.5
527.21295	68.1
527.28748	100.0
528.21790	5.7
528.29205	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	527.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02221	10.8
52.62345	10.5
66.93054	9.6
69.46559	49.9
76.91093	12.0
93.54036	10.7
100.39104	10.3
100.96376	11.2
123.31319	10.1
131.01398	11.4
234.43924	13.1
283.08643	12.7
527.34015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3151
Annotation	Ferruginin C
Peak:m/z	Relative Intensity
55.29562	15.1
59.01369	49.8
61.98828	100.0
69.75581	15.6
70.32907	13.9
71.01412	17.0
82.95436	21.4
84.95113	88.4
89.85503	13.6
96.96011	24.2
98.22666	47.3
104.14893	16.8
125.02448	19.3
169.01428	16.9
377.60336	15.9
509.33179	16.7
527.25958	29.9
527.32184	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43121	1.8
54.73042	1.7
58.56965	1.8
58.82768	2.1
59.01389	4.1
59.05760	1.7
61.36001	1.7
61.98838	44.8
67.01877	1.8
69.20802	4.6
69.21221	6.8
71.01379	5.9
73.02922	1.7
81.20317	2.3
89.02441	3.1
91.01904	2.0
93.03466	2.2
93.27681	1.8
95.01407	2.4
95.45826	2.3
101.02463	2.7
107.01408	10.3
107.05080	2.0
121.02966	3.0
123.00901	10.9
124.01662	6.0
125.02460	55.9
125.52682	1.8
137.02461	8.2
138.33037	1.7
151.00356	8.6
151.04025	27.7
159.85951	1.9
168.00696	3.9
169.01442	81.3
170.01784	3.6
180.30919	2.0
183.02968	2.2
184.34866	1.9
211.02444	3.2
221.29570	2.1
241.03461	2.1
268.43027	2.5
276.41260	2.2
313.05667	21.8
355.97449	2.2
375.50986	2.0
391.21255	3.1
394.72964	2.1
412.30548	2.1
462.51639	2.4
465.10391	100.0
466.10739	8.2
480.18091	2.2
528.17615	2.7
529.18585	2.9
529.25586	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
60.01710	0.5
61.01804	0.3
61.98835	100.0
69.24654	1.7
71.01402	0.4
79.46769	0.3
96.96059	0.6
98.21859	0.6
116.14375	0.3
166.05127	0.3
386.23853	0.3
438.22052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45242	76.4
57.28216	74.4
61.98835	71.0
62.44426	69.3
65.47573	72.2
71.43699	87.5
74.28379	64.1
85.31693	66.8
103.32111	72.4
125.38955	69.2
161.19357	70.9
167.14995	70.2
195.23360	72.2
219.63034	74.1
326.47375	71.9
459.06787	70.3
485.33014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	35.2
63.80934	19.6
69.25463	100.0
69.29630	18.7
74.72780	16.8
87.15874	18.7
104.02689	16.4
124.49479	18.0
168.07790	16.4
317.38251	19.8
485.32669	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	528.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22102	19.4
93.45710	19.0
98.21815	50.3
122.48861	21.7
126.44382	19.9
168.95929	19.3
190.82219	21.5
220.95639	19.7
237.33861	22.8
250.17740	21.3
485.32733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01492	4.6
59.01379	8.8
69.14635	24.1
70.98866	4.5
71.01384	11.2
76.70740	3.8
89.08936	4.0
98.22730	9.5
101.02479	6.7
111.08167	5.4
127.32600	4.7
209.11826	7.9
216.46710	5.2
253.09285	12.4
254.09599	7.4
291.19678	35.7
292.20044	100.0
327.20190	4.7
447.13474	5.4
497.27338	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35962	1.1
57.03452	4.5
59.01397	2.4
61.98830	4.4
66.86510	1.3
69.23342	5.1
71.01382	1.4
81.03464	1.8
83.01400	3.4
83.79359	1.2
85.02980	2.1
87.00884	48.0
97.02942	2.1
101.02440	2.0
107.01377	2.5
123.00904	5.1
123.04590	1.3
124.01667	3.7
125.02460	27.5
125.03321	2.4
137.02502	7.2
151.00383	2.8
160.46890	1.3
165.01950	9.5
167.03490	14.3
168.00604	1.7
168.03876	1.5
169.01454	7.9
173.06227	1.7
181.05074	1.5
185.06087	2.4
187.04079	1.9
188.04790	1.6
199.04025	1.9
201.05586	37.5
202.06139	2.0
203.07127	7.7
204.04289	2.9
205.05074	6.1
209.06227	1.7
211.04083	1.9
213.05519	6.1
215.03557	3.2
216.04259	2.8
224.04764	1.3
225.00890	1.5
225.05714	7.4
227.07217	2.3
229.05055	39.1
230.05737	2.4
231.06630	16.4
237.05573	2.0
240.04330	1.8
241.05080	14.3
241.08690	1.7
242.05791	1.4
243.06746	1.4
245.08203	2.0
253.05135	6.8
255.06667	3.8
256.03827	2.2
257.04648	4.0
257.08344	2.0
259.06189	5.3
269.04492	1.6
273.07788	1.8
273.15033	2.4
281.04544	2.5
283.02859	1.5
283.06195	3.8
286.48996	1.5
293.08173	1.5
301.07147	2.2
311.09311	2.9
329.06583	1.8
335.09293	3.3
372.08490	3.4
373.20114	1.6
379.07962	3.4
391.06781	5.0
391.21356	12.7
392.21759	1.6
397.09244	5.6
407.07919	2.6
447.06018	1.5
449.08545	2.1
451.06873	4.5
457.11691	1.5
467.09839	2.0
469.08105	5.7
475.07077	1.5
475.27173	3.1
485.10748	1.9
511.08731	1.9
529.09900	100.0
529.18945	24.2
529.25879	42.8
530.10474	7.2
530.18463	1.7
530.26422	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	529.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
68.19524	29.4
71.43652	29.1
126.99601	42.7
158.68051	28.5
208.12093	31.6
293.21173	43.4
310.52362	30.0
360.04410	29.0
373.14142	27.5
390.14526	32.3
416.69299	32.9
433.01147	33.0
529.36066	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2817
Annotation	Ganoderic acid M
Peak:m/z	Relative Intensity
52.94589	0.4
53.91948	0.5
57.03445	0.5
59.01387	2.4
61.98843	3.5
62.76387	0.5
69.40627	0.8
69.41016	1.4
71.01369	1.8
71.05016	1.2
73.02962	1.0
80.91702	0.8
85.02959	0.7
89.02442	2.1
96.96027	7.9
99.00878	0.7
101.02444	1.1
108.02219	0.6
113.02468	0.5
123.04505	0.7
125.02441	0.5
131.03523	0.5
149.04578	1.4
152.01147	1.9
165.05673	2.1
195.37248	0.5
200.71358	0.4
203.37656	0.5
273.18640	1.4
369.23941	0.6
396.72598	0.5
413.30627	1.1
423.29230	3.6
439.28238	0.7
441.25815	3.5
441.30222	6.7
457.29849	0.8
467.28058	31.0
468.28839	2.2
483.27411	2.5
485.24994	2.8
485.29581	2.8
501.28760	3.0
529.28131	100.0
530.28503	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	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01385	12.6
59.67757	0.7
60.41914	0.6
61.98829	0.9
62.12738	0.8
71.01385	6.2
73.02950	2.0
83.01396	0.8
83.05025	0.8
85.02946	1.5
88.58237	0.8
89.02446	5.8
95.08631	0.7
98.06498	0.7
101.02433	6.7
111.08170	0.9
113.02465	3.8
119.03531	1.8
161.04559	3.3
195.13942	8.9
196.14748	0.9
200.49590	0.7
205.12308	0.8
207.13852	0.7
209.11891	1.2
223.13374	6.3
253.09306	32.8
256.13187	2.3
274.95459	0.7
275.20120	4.5
291.19669	1.8
292.19916	1.8
293.21262	100.0
294.21622	5.4
335.37668	0.7
336.96814	0.8
383.70840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
58.66150	0.4
59.01384	11.6
69.14137	2.9
71.01386	6.3
73.02953	0.7
83.01423	0.6
83.40785	0.4
85.02958	2.0
87.00903	0.8
89.02454	6.2
101.02451	6.9
104.13056	0.4
112.12821	0.5
113.02460	3.4
119.03505	1.6
137.47899	0.4
142.09862	0.4
143.03465	0.5
161.04565	3.5
179.05658	1.3
179.14462	0.9
195.13924	9.9
196.14713	1.0
205.12331	1.0
205.16049	0.5
223.13394	5.5
224.14075	0.5
228.13759	0.5
231.21239	0.7
253.09305	31.6
254.09735	0.5
256.13147	1.4
265.21729	0.9
275.20160	5.7
293.21246	100.0
294.21552	4.6
342.66873	0.4
516.47034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55614	2.0
53.81508	2.2
70.05370	2.5
70.05701	4.7
78.95893	3.9
82.80824	2.2
96.96027	19.9
98.21961	3.0
120.14693	1.9
152.99547	4.7
236.49403	2.1
374.31995	2.2
471.34851	66.5
472.34897	4.0
508.42902	2.5
529.30664	100.0
530.31189	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	529.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60932	0.5
60.98736	0.5
68.87135	0.7
69.16131	4.1
72.19083	0.7
72.81075	0.6
78.95911	4.1
96.96019	25.8
115.01093	0.7
116.99875	0.6
135.41373	0.6
146.86272	0.6
152.99648	3.8
191.77490	0.6
194.89972	1.1
213.34775	0.6
213.93074	0.6
242.98827	0.5
268.97540	0.7
393.31689	1.0
423.32672	1.0
471.27609	0.8
471.34808	71.2
472.35199	5.3
529.30652	100.0
530.31097	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	529.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59501	0.6
69.14691	3.8
70.77728	0.5
78.95896	4.1
96.96022	24.6
98.22635	1.2
113.95792	0.5
118.79394	0.5
152.99620	4.3
180.96159	0.6
188.85635	0.6
194.90115	1.4
218.34718	0.6
302.20065	0.6
431.21957	0.8
471.34836	70.4
472.35226	6.3
529.30682	100.0
530.31110	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	529.3176
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
55.01880	0.5
59.01368	1.7
69.21121	1.0
69.21530	2.1
71.01387	0.6
72.87180	0.4
73.02972	0.4
85.45629	0.5
97.06572	0.9
98.22550	0.8
101.02486	0.5
109.06604	1.6
117.11742	0.5
121.06618	0.7
123.08166	2.0
129.14116	0.6
177.64632	0.5
206.89854	0.5
255.17476	0.6
271.20743	0.7
301.21756	1.1
329.21277	1.0
363.23361	0.9
379.26450	2.4
395.29535	2.8
407.29922	0.6
409.27539	0.9
423.29108	1.2
425.30728	1.8
429.26340	2.6
437.26987	0.7
451.28470	0.5
453.29971	3.7
469.29694	1.7
483.31189	3.2
485.32690	5.5
486.32916	0.9
529.31750	100.0
530.32098	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	530.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	10.5
70.30249	4.5
70.30567	2.3
71.01398	2.5
95.01363	2.1
107.01436	5.2
119.43484	2.0
120.02280	2.2
123.00898	11.2
123.04492	1.8
124.01705	7.3
125.02455	36.8
127.39833	2.2
138.03217	2.8
139.03903	2.3
151.00392	5.5
153.05603	17.3
169.01453	50.7
170.01842	2.1
191.22961	2.0
299.79831	1.9
300.99945	4.9
313.05713	15.4
327.07370	2.7
467.11984	100.0
468.12070	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	530.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77162	1.8
56.59063	1.6
59.01324	1.6
61.49409	1.8
61.98844	9.0
63.91995	1.9
64.76175	1.5
70.39613	1.5
71.01379	4.6
76.28927	1.5
78.55513	1.5
80.39936	1.7
107.01402	7.5
107.22807	1.9
113.02505	2.4
122.50420	1.5
123.00871	9.4
124.01677	6.8
125.02465	34.9
138.03258	3.0
139.04062	2.8
141.59097	1.6
151.00421	8.2
153.05594	13.7
158.71936	2.0
163.00488	1.8
168.00676	4.2
169.01450	42.6
275.01907	2.6
300.99860	2.8
313.05731	17.4
351.20810	1.8
436.45547	1.9
467.12003	100.0
468.12393	5.6
531.11841	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	530.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.98837	18.3
71.01403	2.1
71.31573	1.1
78.75023	1.2
79.01940	1.1
79.43757	1.2
85.02952	1.3
97.02967	1.1
97.29084	1.2
101.02425	1.6
111.00885	2.6
123.00884	10.4
123.43067	1.2
124.01670	10.5
125.02453	11.7
139.00401	4.5
140.01151	3.6
141.01912	2.3
147.97849	1.3
151.00394	9.5
168.00648	7.2
169.01445	19.6
211.02422	4.0
265.25357	1.2
271.04779	2.4
467.19260	100.0
468.19739	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	530.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98834	100.0
87.69231	0.4
89.02458	0.5
96.96030	1.6
98.22640	1.5
99.00917	0.4
101.02426	0.7
122.86001	0.5
125.02463	0.6
138.16621	0.5
145.18663	0.5
161.04579	0.5
197.65497	0.5
203.42645	0.4
209.76477	0.4
253.45538	0.6
281.02426	0.4
305.67319	0.5
317.44547	0.4
328.25775	0.5
529.27496	0.6
530.28876	2.2
531.29718	1.6
542.84814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98834	100.0
87.69231	0.4
89.02458	0.5
96.96030	1.6
98.22640	1.5
99.00917	0.4
101.02426	0.7
122.86001	0.5
125.02463	0.6
138.16621	0.5
145.18663	0.5
161.04579	0.5
197.65497	0.5
203.42645	0.4
209.76477	0.4
253.45538	0.6
281.02426	0.4
305.67319	0.5
317.44547	0.4
328.25775	0.5
529.27496	0.6
530.28876	2.2
531.29718	1.6
542.84814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54409	0.6
60.65244	0.8
61.98831	2.2
69.55972	1.3
69.56383	2.6
71.38791	0.8
78.95448	0.8
78.95911	16.6
81.89796	1.0
82.38670	0.8
109.49368	0.8
126.36094	0.8
127.18868	0.8
152.99597	2.6
168.04315	2.3
168.60602	0.8
173.87180	0.8
218.40329	0.7
224.06932	7.5
224.38718	0.8
239.81544	0.8
242.07971	1.7
255.23318	100.0
256.23688	3.4
277.21658	1.0
311.68597	0.9
472.35269	0.9
480.31006	56.7
481.31396	2.7
530.30902	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	530.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72429	29.0
56.34364	24.1
59.01382	57.3
64.73353	26.4
66.31943	25.6
66.91243	29.7
69.14554	100.0
69.14973	99.1
103.62246	28.0
111.90369	28.5
195.13905	32.4
295.22821	84.9
487.34506	65.9
539.67090	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	530.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	30.4
69.84956	40.8
69.85299	100.0
73.13168	27.2
97.39507	28.6
98.22604	33.3
105.91032	27.3
118.97047	30.4
137.42087	27.5
171.64400	30.5
213.20900	28.2
248.13557	31.6
261.17239	27.4
281.21661	27.2
388.29779	29.8
487.34207	94.2
540.29474	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18876	40.8
63.71597	41.1
70.08552	85.0
73.17860	40.9
93.26324	45.4
108.39124	40.5
144.64001	39.1
145.67487	39.5
182.70538	40.4
530.35345	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	531.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
59.05592	0.3
61.98835	0.5
79.95737	2.4
81.50677	0.3
83.01337	0.3
93.03477	0.3
96.96020	100.0
110.00102	0.4
111.04511	0.7
111.47455	0.3
123.00909	1.2
124.01632	0.3
125.02432	1.1
149.02444	0.3
150.03201	1.0
151.00359	0.6
155.03520	0.5
165.05574	1.9
169.01474	1.1
173.04610	0.7
175.02843	0.6
180.98169	0.5
193.68062	0.3
194.96170	0.3
195.06619	0.8
217.04001	0.4
224.97174	1.1
266.98315	0.8
278.98251	0.4
301.00037	0.7
308.99252	1.3
309.02652	0.4
367.85254	0.3
433.13510	4.1
450.18863	0.3
468.82700	0.3
471.08319	7.1
471.14392	0.4
472.08447	0.6
531.10590	1.0
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
52.01877	0.9
52.21456	0.9
53.84347	0.9
59.01383	20.4
60.49895	0.9
60.99314	16.8
61.98834	2.0
62.84964	0.9
69.03474	1.0
71.01394	8.4
73.02962	4.9
75.00880	1.2
83.01364	1.8
85.02953	4.7
87.00883	2.6
88.98817	100.0
89.02448	7.7
95.01379	1.1
96.96052	1.5
99.00879	1.9
101.02470	5.6
107.01369	1.3
113.02448	2.8
119.03505	2.8
123.00914	6.6
124.01672	4.2
125.02448	11.3
131.16609	0.9
135.04610	1.1
141.01941	1.3
142.06606	2.9
148.35817	1.0
149.04602	2.8
151.00371	4.8
161.02377	1.5
161.04546	2.0
168.00635	2.3
169.01443	15.3
177.04030	3.8
186.05661	1.2
205.65970	1.1
207.50383	0.9
355.11972	1.1
374.81537	1.0
399.23917	2.0
441.17667	60.7
442.18228	4.7
469.30017	1.4
531.11810	1.9
531.20032	2.1
531.28534	14.3
532.21899	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	531.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61779	2.1
59.01387	5.7
66.27596	2.1
71.05008	3.4
86.54309	2.6
98.54275	2.7
173.47749	2.7
293.42880	2.3
309.20459	4.6
359.74670	2.6
413.34171	11.1
473.36414	81.9
474.36432	4.7
531.05347	4.5
531.32166	100.0
532.32440	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	531.2734
Annotation	Hanburin
Peak:m/z	Relative Intensity
51.98388	1.0
59.01375	3.1
61.73154	1.2
61.98839	3.8
78.95905	2.3
79.95749	2.3
82.63036	0.9
85.40548	1.1
89.02496	1.5
90.70580	1.0
93.80765	1.0
96.96018	100.0
98.22645	1.0
99.06265	1.1
101.02474	1.7
107.01400	1.9
111.00969	1.3
113.58531	1.0
123.00916	6.9
124.01665	3.9
125.02454	11.0
139.00352	1.7
140.01187	1.4
142.72556	1.0
151.00377	3.6
168.00679	1.5
169.01451	14.0
170.01688	1.5
170.70848	1.0
175.09724	2.5
211.02507	1.9
217.71327	1.0
271.04568	3.0
298.98563	1.2
299.99066	4.7
300.99908	8.7
356.95535	2.6
359.71530	1.0
371.94272	2.3
398.96732	8.6
432.75049	1.1
433.03928	4.2
473.16635	1.6
495.15097	3.4
495.29684	6.9
531.20557	27.6
531.27405	77.9
532.20819	2.1
532.27887	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	531.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35839	2.0
59.61057	1.8
69.15731	12.6
76.45904	1.6
77.19667	1.5
87.04522	14.7
116.72440	1.7
160.28494	1.9
320.50177	1.9
431.11691	1.9
495.29736	14.3
531.27362	100.0
532.27643	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	531.2737
Annotation	Hanburin
Peak:m/z	Relative Intensity
59.01384	9.3
69.33295	9.7
71.01385	5.1
73.02903	2.1
76.95564	2.3
85.02956	2.3
89.02446	3.7
101.02433	4.0
119.03513	2.3
169.01488	3.7
171.65910	2.6
173.16820	2.3
185.30249	2.1
224.86707	2.4
228.84618	2.2
300.99942	2.8
317.17764	2.5
472.10593	2.4
495.29581	14.8
531.27368	100.0
532.27509	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	531.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
56.47989	1.3
57.03429	3.1
58.30747	1.3
59.01385	100.0
59.05856	1.5
61.98819	2.9
69.03469	2.5
71.01389	74.1
71.43012	1.7
73.02954	29.5
75.00891	1.7
83.01403	9.3
85.02959	20.4
87.00896	3.4
89.02451	66.9
95.01402	3.5
97.02966	3.6
99.00893	23.6
101.02454	53.6
113.02471	19.4
115.03967	3.3
119.03506	16.7
123.00874	2.0
125.02431	8.0
131.03528	9.6
143.03481	3.7
149.04559	23.8
155.03566	2.8
159.03047	3.0
161.04567	13.5
169.01425	2.1
179.05640	6.2
183.10312	2.2
191.05632	8.9
233.06685	3.5
251.07550	1.8
293.08829	3.4
340.75803	1.8
399.23935	41.0
400.24533	2.1
519.10602	1.8
531.28198	90.8
532.28497	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	531.2814
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01863	3.2
57.03436	2.6
59.01385	43.1
61.98837	1.2
69.03448	2.2
71.01389	57.4
71.44588	1.1
73.02569	1.9
73.02954	24.7
75.00882	2.2
81.03477	0.9
82.95412	2.1
83.01406	6.8
85.02956	24.7
87.00882	3.1
89.01949	2.0
89.02457	26.4
95.01398	4.7
96.96008	6.8
97.02944	3.9
97.90236	1.1
99.00894	11.5
101.02452	32.1
111.00895	1.1
113.01710	1.9
113.02455	21.0
115.04032	1.4
119.03506	3.9
125.02441	4.4
131.03493	3.6
143.03500	3.7
149.04576	5.6
159.03023	5.6
161.04562	33.4
170.02905	1.1
179.05574	1.9
191.05676	3.1
223.41454	1.3
233.06703	4.2
235.54283	1.1
274.13519	1.0
293.08759	2.7
382.61240	1.1
399.23877	26.9
400.24149	1.0
403.70178	1.2
433.71448	1.1
531.28271	100.0
532.28937	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	531.2973
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
59.01282	3.1
59.01616	1.2
60.63358	0.5
61.98740	1.6
71.01277	1.6
71.04951	0.8
71.08958	0.8
73.02869	0.9
76.19187	0.6
85.02903	0.6
87.00811	1.1
89.02371	1.0
93.89461	0.6
96.95879	2.1
96.96423	0.6
101.02379	0.7
111.91624	0.5
113.02327	0.6
116.92747	1.7
123.00750	0.7
125.02356	1.2
137.02325	0.6
138.00813	0.5
141.56831	0.7
169.01312	1.0
286.31653	0.6
301.00021	0.7
469.29617	100.0
470.30042	6.6
487.30719	14.2
531.29706	63.1
532.30170	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	531.2969
Annotation	Wikstroelide E
Peak:m/z	Relative Intensity
52.40176	0.3
58.00614	0.3
59.01365	0.5
61.42530	0.3
69.07156	0.7
69.07555	1.4
73.02956	0.6
75.00882	2.3
79.33493	0.3
98.22795	0.5
109.54375	0.3
119.24730	0.3
163.75146	0.3
221.07190	0.3
240.84045	0.3
263.16406	0.4
377.25082	0.4
391.26471	0.4
395.26010	1.5
407.29425	2.0
411.29132	1.6
425.30389	0.5
439.24908	2.3
441.30206	0.6
451.28574	4.1
455.28107	5.7
467.27716	0.7
469.29462	2.2
475.18814	0.3
485.29135	2.5
487.30579	2.0
493.31366	0.3
495.27563	0.8
513.28595	11.6
514.28906	0.7
531.29675	100.0
532.30029	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	531.333
Annotation	Quadrangularic acid G
Peak:m/z	Relative Intensity
52.15995	0.4
59.01387	2.1
61.98806	0.5
66.29903	0.4
69.02372	0.3
70.93549	0.5
71.01401	0.8
71.05015	1.3
73.02949	0.8
74.49494	0.3
79.89822	0.4
83.05060	0.4
89.02461	0.5
91.02932	0.3
94.66058	0.3
97.02021	0.4
97.09885	0.3
101.02436	0.9
145.01443	0.9
182.15157	0.4
195.13805	0.3
196.42032	0.3
231.57112	0.3
253.09334	0.7
254.09573	0.8
255.09752	1.0
256.09976	0.4
293.21240	2.7
294.21576	2.9
295.21875	3.0
355.26636	0.4
361.25308	0.4
362.21725	0.4
363.26968	2.1
379.30148	2.3
381.27948	0.5
397.31244	0.5
401.28677	0.8
407.29538	1.0
409.31171	1.4
423.29251	0.4
427.32083	0.5
435.29138	0.6
437.30753	3.2
438.30844	0.4
451.28476	1.2
453.30240	1.2
455.31827	1.1
471.31067	1.0
513.32245	10.1
514.32892	0.6
531.33319	100.0
532.33594	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	531.333
Annotation	Quadrangularic acid G
Peak:m/z	Relative Intensity
54.07387	0.4
57.03445	2.0
59.01169	0.3
59.01382	3.5
61.98837	0.8
69.03450	0.6
69.27530	2.6
71.01378	0.8
71.05031	0.7
73.02947	0.7
89.02468	1.0
97.02970	3.7
98.22767	0.5
101.02409	0.7
113.74820	0.4
149.04546	0.9
156.69730	0.5
165.39186	0.6
190.75865	0.5
191.05603	0.6
320.06729	0.5
411.29297	0.8
423.29187	0.7
439.28912	0.8
481.29715	1.3
501.28641	0.9
513.32300	2.6
531.33392	100.0
532.33716	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	532.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09291	0.7
59.01388	11.9
67.01881	0.6
69.32729	2.9
71.01389	24.4
71.05024	6.6
73.02947	1.4
83.01404	1.0
85.02955	2.8
88.03584	0.7
88.04037	4.2
88.30870	0.8
89.02461	6.4
90.66517	0.8
95.01401	1.3
98.21867	1.5
99.04517	1.3
100.53632	0.7
101.02459	6.8
107.01381	2.1
113.02458	2.7
116.03518	0.7
116.07223	1.0
119.03507	1.4
123.00901	4.6
124.01681	3.6
125.02477	10.9
128.01596	0.6
128.07191	1.7
130.44461	0.7
132.98209	1.3
135.18219	0.7
140.01199	0.8
146.08247	54.3
151.00395	1.9
161.04552	1.7
168.00648	2.6
169.01457	12.2
169.02859	1.5
174.11400	0.8
200.09306	1.5
211.02428	1.2
218.10432	1.1
228.02104	0.9
257.07095	0.8
260.58417	0.7
263.11505	1.2
270.93033	0.7
275.01898	1.2
300.99991	3.5
308.13577	6.3
357.20471	0.8
362.14554	1.6
380.15656	56.1
381.16074	1.7
415.12527	2.3
417.32199	0.8
423.46158	0.7
460.14706	4.9
514.15802	2.5
532.16785	100.0
533.17413	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	532.9817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	69.1
60.01721	0.7
61.98823	2.8
63.92821	0.3
69.94728	0.8
69.95094	0.5
97.02467	0.4
127.08004	0.3
132.98227	1.9
150.05762	0.5
156.99904	0.8
171.79604	0.4
174.99255	35.4
185.95601	0.4
201.02567	0.6
217.00304	100.0
218.00652	1.7
224.91042	0.7
267.99100	0.4
314.98706	0.4
359.01331	0.9
374.99225	68.8
375.99460	1.6
507.55988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	9.3
62.19282	1.6
69.26087	3.6
69.26494	5.5
70.19952	1.5
71.01390	18.0
83.01412	2.1
98.22719	2.5
103.00429	2.2
111.00871	1.7
113.06155	2.0
114.05638	1.8
118.96656	14.1
121.02979	2.8
123.00945	2.1
125.02452	9.9
129.05635	1.9
132.98267	8.8
140.98689	3.0
149.02448	17.4
150.03246	14.2
156.06673	3.4
156.98195	8.8
157.05081	12.9
158.99733	2.4
160.97723	12.1
164.04764	10.3
165.05602	17.4
168.98215	2.2
169.01411	8.1
170.99770	18.2
174.99286	3.2
179.03511	2.3
182.99765	9.6
186.99248	4.2
189.00856	4.5
191.00282	2.7
197.04552	6.0
198.99243	16.6
210.99202	4.2
217.00293	11.9
226.98773	2.7
227.99532	4.5
229.00206	2.8
237.98003	1.9
248.00098	6.4
249.04047	2.2
250.98976	1.7
255.05101	7.3
259.01361	78.7
261.00775	1.7
263.02438	6.3
275.02115	3.9
279.98978	6.4
292.78348	1.8
301.00000	4.0
305.03445	5.6
323.04538	3.1
365.05804	4.0
374.99399	3.5
390.62460	1.8
394.82861	1.7
413.37244	1.7
425.07684	100.0
426.07761	3.9
429.10703	1.9
469.06561	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	533.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.5
71.01377	2.0
73.02962	0.9
79.01936	0.5
80.91690	1.3
83.01404	0.4
85.02943	0.6
89.02457	1.4
91.05537	0.6
93.03460	1.5
94.69960	0.4
95.01384	0.5
96.96006	0.4
99.74676	0.4
101.02454	1.2
107.01411	1.5
109.02976	0.6
114.52927	0.4
117.03488	5.3
119.03528	0.8
119.05017	1.0
123.01011	0.5
125.02426	2.2
133.02986	0.7
135.04527	2.5
145.03000	0.8
149.02458	1.1
149.06012	0.5
159.04597	0.6
160.04063	0.8
161.02452	3.0
163.04010	2.0
163.38214	0.5
165.09261	2.4
169.01469	2.5
175.04013	1.5
177.01961	1.6
177.05579	1.6
179.03535	0.6
189.01840	0.6
189.05708	0.5
191.03499	2.0
197.06134	0.5
201.01808	0.5
203.03520	1.5
217.05089	0.7
221.04584	0.7
231.02986	0.9
238.06291	0.6
247.66969	0.5
251.07327	0.7
267.06714	0.6
268.07474	1.0
269.04584	0.6
269.08118	0.6
275.01944	1.3
281.04630	1.0
282.05286	2.1
283.06128	5.2
293.04858	0.5
295.06122	6.1
296.06912	4.3
297.07709	18.6
301.00003	1.2
307.06030	2.7
308.06802	0.7
309.07626	3.0
311.05600	4.7
321.04105	0.5
321.07632	0.5
323.05582	4.6
324.06458	1.4
325.07214	8.9
326.07635	0.5
328.05914	2.1
329.13907	0.6
335.05551	1.3
337.07117	3.3
341.06635	0.8
351.04984	0.7
353.06705	33.0
354.06894	1.3
355.08228	1.7
356.05423	1.0
361.07172	0.5
365.06699	8.1
379.08130	0.8
381.06378	0.6
383.07767	27.2
384.08133	1.3
389.06686	0.7
395.07727	2.8
397.08795	0.7
407.07758	1.2
413.08755	2.7
425.08759	2.2
443.09836	16.3
444.10187	1.1
455.09833	1.5
473.10898	7.9
474.11325	0.6
515.11932	2.2
520.64294	0.4
533.13019	100.0
534.13312	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	533.1305
Annotation	6,8-Di-C-beta-D-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
54.30674	0.6
59.01371	2.2
67.54040	0.6
69.57806	2.0
71.01375	1.6
73.02962	0.7
89.02424	0.6
93.03467	1.1
96.75681	0.6
98.22662	1.1
101.02471	0.6
106.50891	0.5
116.51813	0.6
117.03466	3.3
119.05003	0.9
123.00871	0.8
125.02442	0.8
135.04518	1.6
157.10472	0.6
158.70885	0.6
161.02419	1.7
161.06075	0.7
163.04037	1.4
169.01398	1.7
175.04039	1.9
177.01974	0.7
177.05629	1.0
179.03537	0.8
189.05605	0.8
191.03622	1.4
203.03531	1.2
216.14983	0.6
224.08466	0.8
267.06628	0.7
268.07468	0.8
275.01968	1.5
281.04480	0.8
282.05359	2.2
283.06168	2.7
294.05276	0.7
295.06198	4.0
296.06955	3.4
297.07700	14.7
300.99817	1.9
301.28091	0.7
307.06116	2.0
309.07584	1.7
311.05505	3.3
322.04489	0.7
323.05594	3.1
324.06287	1.1
325.07175	6.6
328.05667	1.1
335.05527	1.3
337.07227	3.0
341.06345	0.9
353.06686	27.1
354.07047	1.5
355.08475	0.9
365.06720	5.4
383.07742	23.2
384.07941	1.0
391.97385	0.6
395.07684	2.4
407.07556	0.8
413.08762	4.5
425.08734	2.3
443.09845	12.3
455.09753	0.8
473.10919	6.8
515.12036	1.6
533.13019	100.0
534.13391	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	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
60.40986	0.5
68.27125	0.6
69.45999	2.1
78.85817	0.7
87.85669	0.7
88.60903	0.6
93.03468	1.3
95.01434	0.7
96.05801	0.6
98.21918	1.1
103.82150	0.6
117.03478	4.3
119.04997	0.9
135.04489	2.0
145.02968	0.6
147.04535	1.1
149.02458	1.1
161.02437	1.9
163.03999	2.1
169.01431	1.7
175.04013	1.9
177.01909	1.0
177.05609	1.1
179.01639	0.5
179.03442	0.9
189.01933	0.8
191.03511	1.3
202.98920	0.6
203.03502	1.9
204.04233	0.6
217.04956	0.6
221.04539	1.4
245.04456	0.8
267.06577	1.4
268.07465	1.1
279.06815	0.7
282.05328	1.6
283.06219	3.9
295.06119	4.6
296.06863	4.9
297.07684	17.8
306.07986	0.7
307.06183	2.2
309.07657	2.6
311.05518	3.9
321.07776	0.7
323.05597	4.1
324.06305	1.6
325.07199	8.0
328.05911	1.6
331.84683	0.6
335.05652	1.9
337.07178	3.5
341.06351	0.7
351.05179	0.7
353.06696	35.1
354.06989	3.0
355.08249	2.0
365.06650	6.8
366.06793	0.6
381.06210	0.8
383.07739	25.7
384.08060	1.1
389.06778	0.7
395.07663	2.5
407.07715	1.6
413.08905	4.2
425.08688	1.6
443.09897	16.2
444.10150	1.2
455.09702	1.0
473.10834	6.0
515.11908	2.7
533.13031	100.0
534.13440	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	533.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52170	0.7
59.01387	1.9
71.01382	0.8
85.02956	9.6
87.00894	1.9
93.03455	3.3
93.61154	0.6
98.22733	1.0
103.97527	0.7
107.58366	0.6
109.02957	0.6
111.04575	1.0
124.38744	0.6
127.04002	2.3
135.16399	0.5
138.14952	0.6
167.24025	0.6
173.04593	1.0
191.05629	100.0
192.06003	2.1
229.18080	0.8
498.15289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
60.66040	0.3
61.46595	0.3
69.47955	1.5
83.05006	0.3
85.02463	0.6
85.02961	9.1
87.00865	1.9
90.89619	0.3
93.03474	2.6
99.04522	0.4
109.02964	0.9
111.04517	0.7
127.04023	2.2
132.40947	0.4
143.83707	0.4
171.02966	0.5
173.04562	1.0
173.10345	0.4
191.05630	100.0
192.06003	1.7
357.63937	0.4
447.37708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.6
56.60279	0.6
57.03445	0.7
59.01386	17.5
61.19262	0.5
61.98838	1.6
70.62006	0.8
70.62329	0.8
71.01384	7.5
72.99334	0.8
73.02954	4.3
79.09003	0.6
83.01389	1.1
84.95100	0.6
85.02943	3.6
87.00885	0.7
89.02472	6.6
95.36101	0.6
97.02963	0.7
98.85540	0.6
99.00891	5.8
101.02451	6.9
105.03489	1.1
113.02459	2.3
115.27438	0.6
116.45329	0.6
117.03483	11.0
119.03514	1.1
119.05046	4.6
121.02995	2.0
123.00949	0.7
123.04520	1.1
124.01642	1.4
125.02460	11.0
131.03505	0.8
132.02206	1.6
133.02969	36.4
134.03748	0.7
135.04550	8.3
145.02968	38.8
146.03287	0.9
149.04669	0.8
161.02461	100.0
162.02806	2.2
163.04019	7.4
168.00699	1.1
169.01439	14.6
172.18352	0.6
179.03519	3.7
221.15460	1.0
275.02240	0.9
313.05661	0.7
371.24420	1.4
431.75040	0.7
439.28717	1.0
441.30246	1.1
458.87164	0.6
459.31314	0.7
471.31119	1.8
485.29034	2.8
503.30270	2.2
524.97888	0.7
533.12976	5.0
533.24188	92.8
533.30615	14.5
534.24213	6.5
534.31055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	59.3
61.98865	29.9
69.14018	27.8
73.70425	31.2
84.85674	33.0
98.22687	100.0
111.60159	28.6
144.90723	31.2
151.36366	32.4
226.24777	32.4
256.59088	39.5
370.17963	33.1
433.46716	33.9
533.29907	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3124
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
51.25135	0.5
52.40197	0.5
59.01390	4.8
59.45996	0.5
60.16081	0.5
61.98826	0.7
62.84720	0.5
69.77263	1.9
71.05029	1.8
83.05038	0.9
84.05367	0.6
86.90811	0.5
103.43086	0.5
117.31107	0.5
123.04257	0.6
168.76018	0.5
173.23088	0.5
246.04105	0.5
270.62753	0.5
285.18445	0.5
290.01144	0.6
362.14722	0.6
379.26416	0.7
395.29709	0.6
407.25690	1.0
415.32092	0.8
425.27176	2.9
426.27740	0.6
439.28506	10.6
441.30151	16.8
442.30392	1.2
459.31168	12.8
460.31696	0.8
471.31216	8.3
472.31512	0.7
485.28882	1.2
489.32370	0.9
499.30563	0.9
503.30215	35.4
504.30594	2.2
533.31232	100.0
534.31622	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	533.3127
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
55.01875	1.2
57.03450	1.8
59.01386	21.9
61.98831	1.5
71.01389	15.9
71.43728	1.0
73.02954	6.2
83.01405	2.6
84.60666	0.7
85.02956	6.6
87.00892	1.0
89.02456	8.6
95.01396	1.1
97.02996	0.7
99.00877	1.6
101.02454	13.7
102.98595	2.0
113.02445	5.8
119.03493	3.6
123.00923	0.9
124.01777	0.8
125.02430	2.1
141.09367	0.8
143.03514	1.7
145.01405	0.9
159.03001	0.8
161.04550	6.3
169.01511	2.0
179.05672	1.9
189.39174	0.7
209.15472	1.2
232.96860	0.8
267.94464	0.8
275.01855	1.4
300.99847	1.8
329.13885	1.1
370.17725	0.9
371.20776	11.7
395.29886	1.1
450.38715	0.8
453.83231	0.8
471.31186	100.0
472.31403	6.4
473.18726	0.9
489.32202	11.0
518.16394	0.9
533.31604	61.5
534.31726	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3124
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
54.49652	0.3
56.78576	0.2
58.05268	0.3
59.01347	0.9
60.99278	0.6
69.21309	1.1
69.21712	0.6
74.16240	0.3
79.20206	0.3
85.02938	0.3
165.38428	0.3
173.55014	0.3
224.79074	0.3
381.27557	0.4
423.29007	1.3
439.28378	1.1
441.30222	4.2
453.29971	2.3
455.27951	0.7
457.29523	1.3
467.27808	1.5
469.29596	1.3
471.31204	17.7
472.31580	0.9
485.29114	40.1
486.29529	2.6
493.10739	0.3
503.30005	0.4
533.31232	100.0
534.31567	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	533.3126
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
59.01377	0.9
60.99313	0.7
69.37559	1.5
70.56688	0.3
76.03584	0.3
76.12262	0.3
98.22618	0.6
101.98796	0.4
329.06622	0.7
371.37860	0.4
373.02023	0.4
407.25870	0.6
423.29199	1.7
437.26788	0.6
439.28632	1.0
441.30115	4.2
453.30087	3.6
455.28003	1.0
457.29568	1.0
467.27911	1.8
469.29453	1.3
471.31198	20.6
472.31509	0.7
485.29144	41.3
486.29626	2.4
503.30258	0.7
533.31250	100.0
534.31598	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	534.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93272	4.8
59.01383	100.0
61.98830	9.4
70.49171	6.4
70.49506	6.0
70.66807	4.5
71.01377	17.6
85.02949	14.6
89.02445	32.7
101.02428	9.2
117.03494	5.5
125.02435	6.5
131.03496	6.4
145.02977	27.3
149.04535	6.4
167.03496	8.5
169.01418	7.5
207.02104	5.3
249.15117	5.3
250.12321	5.5
256.63635	5.1
274.12213	8.7
283.09659	19.5
295.05957	5.3
311.09314	52.3
325.10721	10.7
326.11691	31.9
333.42395	4.9
341.13965	77.7
349.17926	5.7
369.20795	7.1
373.20245	12.0
387.21759	21.6
399.21310	7.3
417.28268	5.5
439.24802	24.8
457.25980	41.5
471.31036	12.6
472.31683	27.7
475.27115	55.3
534.31372	22.9
535.25690	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	534.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46765	1.5
54.28508	1.3
59.01384	38.1
61.98814	1.6
69.25906	2.8
69.26311	4.7
70.60847	1.3
71.01391	28.1
85.02998	1.7
86.35441	1.4
89.02456	52.2
94.65292	1.5
101.02464	3.3
113.02461	3.9
119.03394	1.6
131.03502	7.6
145.02922	1.7
149.04591	12.9
150.04723	1.4
194.35327	1.5
224.04810	2.8
241.08574	1.6
255.10208	4.5
266.05978	2.0
269.11874	2.0
270.12671	2.9
275.77011	1.4
283.09793	27.3
284.10028	1.9
285.31674	1.6
289.28040	1.8
295.09729	4.2
296.10513	2.7
298.12042	5.6
310.12057	2.1
311.09290	67.4
312.09528	2.5
325.10898	3.5
326.11606	52.8
327.11884	2.4
340.35608	1.7
341.13953	100.0
342.14200	4.6
360.87561	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19173	1.2
58.93891	1.3
59.01387	42.5
61.98883	1.6
63.23878	1.5
66.91445	1.4
69.26780	8.3
71.01385	20.6
71.81171	1.6
75.41117	1.2
83.22814	1.3
85.02948	2.0
89.02457	47.3
101.02448	2.4
106.52834	1.4
108.02183	9.8
109.02997	2.0
113.02459	3.7
121.02980	7.0
131.03525	6.4
144.91722	1.3
145.02991	2.1
149.04596	14.2
152.01175	23.1
168.31580	1.3
205.41724	1.5
224.04868	3.1
238.06300	2.5
239.10995	1.7
241.08731	1.8
255.10283	5.9
266.05914	2.7
270.12509	1.5
283.09790	27.2
294.08954	1.8
295.09729	4.0
296.10574	2.2
297.11163	1.6
298.12103	4.3
309.11298	1.4
310.12085	2.6
311.09299	70.4
312.09653	3.5
325.10873	3.5
326.11642	53.6
327.11862	3.0
341.13965	100.0
342.14420	6.9
413.10706	6.9
534.31036	2.8
535.14722	12.4
556.54553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13766	3.3
59.01384	29.8
61.98841	6.3
64.70072	3.3
66.64125	3.2
69.46825	7.6
69.47207	11.9
71.01392	10.6
73.02944	4.2
75.16977	3.8
85.02961	3.5
89.02448	13.1
95.01357	3.6
96.95983	3.7
101.02439	6.9
109.02980	7.3
123.00890	4.5
125.02444	5.8
136.01729	3.1
151.04085	3.6
159.04488	4.1
166.05095	14.8
168.00668	4.2
169.01457	6.7
173.06024	5.2
174.93507	3.4
187.07736	3.6
217.56564	3.9
241.05173	3.5
252.74435	3.6
281.07983	4.2
295.10001	4.2
311.09360	7.5
313.10684	4.6
326.11578	3.8
341.13907	6.2
343.12085	8.0
344.12772	17.4
355.11823	4.6
359.15048	44.3
359.77213	3.8
373.12808	3.5
434.27957	4.5
438.96661	3.9
464.11023	3.9
491.19308	100.0
492.19836	9.1
496.29611	3.9
534.18823	4.1
534.31958	6.4
535.18506	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	534.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.6
69.20110	5.4
69.20512	2.6
71.01386	2.4
71.17139	1.7
74.18167	1.5
76.13420	1.4
78.95924	1.8
83.01402	1.8
85.43044	1.5
89.02507	1.9
101.02446	3.5
115.27275	1.6
235.08307	3.6
253.09329	12.0
255.23314	100.0
256.23599	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	534.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.7
61.98828	18.5
69.17050	33.5
69.17450	15.1
85.02941	9.9
90.69896	8.3
98.21876	15.8
119.19656	8.7
121.02980	31.7
122.03738	12.0
135.04535	29.6
149.01468	10.1
149.02419	56.5
150.03189	20.8
164.04839	9.5
175.03938	12.9
189.05507	10.7
190.06372	8.4
190.40804	8.7
301.90344	9.1
329.10110	12.1
386.26987	9.8
479.75198	10.7
491.34183	16.1
505.18741	18.0
535.19800	100.0
549.73621	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	535.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04427	10.2
67.16460	11.1
67.52009	10.9
69.22436	80.5
125.02461	22.6
133.01430	14.5
133.06613	13.9
135.04456	11.8
149.06155	24.3
169.01427	27.6
174.67657	13.4
177.05579	24.6
179.03474	23.6
239.05661	100.0
275.02084	16.2
300.99893	22.1
454.10645	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01376	0.2
57.21379	0.2
59.01379	2.5
61.98833	100.0
67.33224	0.2
68.02514	0.4
71.01393	0.8
71.43983	0.3
73.02951	0.5
81.08408	0.2
85.02982	0.4
89.02453	0.4
99.00916	0.2
101.02458	0.7
101.78870	0.2
113.02476	0.4
113.96834	0.2
123.00896	0.3
124.01665	0.4
128.99265	1.0
129.99625	0.4
133.02966	3.4
135.04559	0.7
137.02502	0.3
145.01398	0.5
161.01096	0.5
161.02454	9.9
162.02846	0.2
163.02551	0.3
179.03468	0.3
184.72208	0.2
218.39113	0.2
227.12953	0.4
248.86363	0.2
301.00140	0.3
339.33307	0.2
373.25848	0.4
402.83420	0.2
535.24884	6.6
535.31885	1.7
536.26013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38296	5.1
59.01387	100.0
60.36633	5.4
68.28675	5.3
69.03441	5.2
69.31775	5.3
70.55185	5.5
71.01388	65.5
71.42876	5.9
73.02930	10.3
82.95431	8.3
85.02949	15.9
87.00858	5.8
88.98814	5.6
89.02448	74.4
91.01864	10.6
93.03435	5.9
95.01396	10.2
96.15121	5.5
96.96008	16.3
101.02444	39.7
113.02479	27.0
115.00440	5.6
116.92867	7.7
119.03530	33.4
121.02920	9.4
122.03740	11.4
123.00854	6.0
125.02445	39.3
126.30688	5.7
131.03484	7.9
133.02995	13.1
135.04459	9.9
137.02441	7.4
143.03564	8.8
148.05319	7.5
151.04037	65.2
156.79391	5.2
161.04573	14.8
161.05940	6.5
165.05569	6.9
169.01457	18.2
179.05609	21.0
197.60861	4.8
221.06688	19.2
242.05847	8.7
270.09000	12.3
275.02112	6.8
285.11359	80.5
300.99719	8.6
323.10001	34.8
370.45471	6.0
447.31534	6.3
475.17972	11.0
509.47366	5.9
515.41010	5.2
535.14941	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03439	0.7
59.01384	41.2
62.73075	0.6
66.84573	0.7
69.35201	3.1
71.01387	16.0
73.02956	1.9
83.01391	1.1
85.02951	3.9
85.42882	0.6
88.98792	1.0
89.02448	14.2
95.01431	0.7
96.82407	0.6
96.96082	0.6
101.02448	10.4
101.29152	0.6
104.05061	3.3
106.06627	2.3
108.04566	4.6
113.02448	6.7
119.03546	3.8
120.51252	0.6
122.06130	0.7
125.02457	2.1
125.86177	0.6
131.03636	0.9
132.04568	34.0
133.04901	0.9
134.06128	23.1
135.04591	0.8
144.04552	1.4
147.03412	0.7
148.04074	2.1
151.04054	0.6
152.07181	2.5
158.02499	1.3
158.06123	3.1
160.04019	1.3
161.04599	1.0
164.07175	0.6
169.01437	1.8
176.03532	8.4
179.05699	0.7
188.03537	2.6
190.05090	5.8
202.05183	0.8
251.11996	3.9
255.11429	1.5
279.08286	1.1
279.11401	15.3
295.10950	4.3
314.12469	2.0
323.10446	9.9
337.12076	1.0
371.11774	0.6
435.17801	5.4
450.99231	0.8
459.17816	20.0
460.18127	0.8
475.16791	3.0
493.22934	1.0
503.16760	100.0
504.17194	6.9
517.18457	7.4
535.19385	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	535.198
Annotation	Boehmenan H
Peak:m/z	Relative Intensity
59.01381	0.6
69.42769	2.5
72.89664	0.5
73.00956	0.4
77.04018	0.6
84.65536	0.5
93.03504	0.7
95.05045	1.3
97.23558	0.6
105.03473	5.0
107.05032	0.8
109.02967	0.5
117.03487	2.9
119.05042	2.0
121.02950	3.6
132.02217	4.6
133.02974	24.3
134.03760	35.3
135.04553	41.4
136.04884	0.8
137.02429	1.8
145.02980	1.6
147.04517	3.6
148.05321	5.0
149.06113	3.6
154.68452	0.6
159.04510	0.9
160.01678	15.8
161.02475	14.7
161.06094	2.4
162.03206	0.6
162.83873	0.7
175.04033	25.8
176.04211	0.6
177.01955	1.6
178.02702	2.4
179.03523	23.2
181.05165	0.5
191.03563	0.7
193.05083	13.8
203.48146	0.5
205.05159	0.6
207.06670	3.4
240.67966	0.5
251.07230	0.9
253.05156	0.9
253.08649	0.8
254.05878	1.0
264.07861	1.1
265.05167	0.9
265.08743	1.6
266.05811	1.0
267.06628	1.3
268.07526	0.6
269.08197	2.2
280.07455	2.1
281.08249	5.5
282.08994	2.4
282.69382	0.5
283.09723	1.0
292.07733	0.6
293.08133	3.1
294.08972	1.2
295.09674	2.0
296.10489	1.8
297.11243	1.4
299.09335	1.0
310.12119	1.3
311.09247	2.1
311.12552	0.9
313.10986	1.3
314.11545	2.1
325.10870	1.2
326.11603	4.1
327.12030	0.7
328.13309	0.8
329.13913	2.0
341.14114	0.6
356.12903	0.6
399.14441	2.5
434.27353	0.5
459.14417	1.1
460.11438	1.6
472.11569	0.7
473.16431	1.0
475.13986	9.2
476.14441	0.7
487.14078	7.5
488.14279	0.9
489.15561	0.8
490.16248	4.0
502.16382	9.7
503.17023	0.7
505.18744	100.0
506.19101	6.4
517.18726	74.0
518.18970	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	535.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72572	1.2
59.01376	3.4
61.14906	1.3
61.98845	2.1
62.29566	1.2
65.11865	1.3
69.84320	4.8
78.95913	2.0
89.03982	2.5
94.52338	1.4
98.22576	2.0
106.04291	2.1
117.03472	6.3
134.03755	80.8
137.02466	2.8
149.06056	9.8
178.02724	14.2
193.05069	100.0
194.05449	2.0
209.15538	1.4
219.40761	1.3
241.08772	1.7
283.09827	11.2
311.06000	2.2
311.09286	27.1
326.11734	12.8
341.13931	30.2
342.14264	2.0
507.91928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37408	1.2
59.01372	4.6
61.98844	2.6
65.40051	1.6
68.15212	1.4
69.70334	1.4
80.23628	1.3
90.17922	1.4
98.22698	2.6
103.43249	1.7
108.02181	11.2
109.02995	3.9
118.74054	1.6
121.02968	4.7
123.04523	9.6
135.04535	5.4
136.01678	62.6
136.05280	1.9
137.02487	6.9
146.03732	1.6
147.04491	3.6
148.05287	1.5
149.02448	5.3
150.03236	7.9
151.04021	54.1
152.04224	1.4
159.04546	1.8
160.05338	2.7
161.06084	4.9
162.03236	4.0
163.04028	4.2
164.04767	1.7
165.05586	3.8
171.04494	1.9
172.05302	3.3
173.06053	4.2
175.03973	4.1
176.04745	3.6
177.05537	4.0
187.04062	2.8
188.04851	1.9
189.05574	7.9
190.06339	4.6
191.07140	4.0
193.05067	5.2
197.06027	1.8
201.05569	1.7
219.06625	1.7
224.04848	1.7
238.06322	1.6
238.92758	1.8
241.04956	2.8
253.05022	6.1
254.05836	1.7
255.06802	2.3
265.05096	3.6
266.05728	3.6
267.06683	2.2
269.04697	7.3
269.07150	1.4
279.06476	2.9
280.07388	5.1
281.04532	13.0
281.08145	6.4
284.06839	4.8
291.06741	2.0
293.08221	2.5
295.06281	2.2
295.09726	3.6
296.06915	16.9
297.07535	2.3
298.08429	2.0
299.09299	7.5
307.09781	1.6
309.07648	2.4
311.09302	18.1
321.07715	3.9
324.09909	4.8
336.10184	3.7
339.12317	9.5
355.11899	5.2
356.12637	3.5
369.13705	2.3
384.12149	2.4
399.14496	15.5
411.14603	2.5
417.69388	1.6
427.11819	2.6
430.13937	2.6
442.14105	2.1
445.17154	2.5
457.12469	2.3
459.14481	2.1
460.15146	2.4
469.16479	3.0
472.15231	5.1
475.18063	22.1
487.18491	25.5
488.18158	1.6
490.16251	3.0
499.17532	1.7
502.16486	10.6
505.18744	54.2
506.19296	5.3
517.18707	100.0
518.19067	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	535.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69915	0.7
57.03443	1.2
59.01384	62.6
60.72501	0.9
61.98830	1.2
66.15189	0.9
66.45229	0.8
69.03442	0.8
69.30031	4.9
71.01389	7.2
71.05033	1.4
72.69917	0.9
73.02928	2.4
81.03461	1.9
85.02968	9.9
87.00843	1.0
87.04502	2.8
89.02425	3.9
89.17090	0.9
95.01424	1.2
99.00893	1.9
101.02441	3.1
107.05004	3.0
111.04572	1.0
113.02421	3.0
117.03473	29.1
119.03475	1.6
119.05041	11.2
121.02940	1.4
121.06567	1.9
123.00867	1.8
123.04512	1.1
123.08130	1.8
125.02447	2.5
126.87398	0.9
131.03429	0.9
133.06511	0.8
139.07628	1.5
143.05124	1.0
145.02968	100.0
146.03322	2.1
155.10744	1.6
156.07899	2.1
163.04016	12.9
169.01434	2.2
177.09241	1.4
189.09146	1.0
206.61708	1.0
221.09772	1.4
229.12270	1.2
231.13818	1.1
239.10846	0.9
249.14919	3.7
273.14935	3.1
274.12088	3.5
277.14377	2.6
279.17374	1.2
295.05923	1.0
300.99905	0.9
301.18222	0.9
302.15051	0.9
311.09100	1.4
323.05441	1.9
327.12204	0.9
342.14578	1.3
345.17078	1.7
369.20645	2.3
373.20227	6.3
381.20609	2.3
387.21860	15.7
399.21613	3.3
421.23663	1.4
439.24899	12.4
447.06122	0.9
457.25946	27.6
458.26221	2.1
464.04810	1.1
475.27063	36.6
476.27219	3.2
491.06293	1.5
535.25330	59.4
536.25684	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	536.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97886	61.8
59.31024	58.6
61.98847	86.0
84.73910	79.8
98.22736	100.0
121.44975	70.3
192.17845	61.9
209.11848	78.7
229.24536	74.0
359.89987	89.9
419.24405	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03440	3.5
59.01390	12.4
61.98840	2.1
69.06224	7.9
71.01389	4.7
73.02939	6.4
81.03465	1.3
85.02950	9.4
85.49850	1.0
87.00909	1.2
87.04530	2.8
88.98824	1.3
89.02456	2.8
97.02962	1.1
98.22704	1.9
99.00922	1.7
99.04515	1.3
101.02439	3.2
101.06099	2.2
107.01385	1.4
107.05017	1.6
123.00896	1.9
124.01663	2.9
125.01665	1.2
125.02442	7.7
125.06085	1.7
149.05939	1.0
168.00636	1.8
169.01421	8.9
183.11780	2.1
186.06497	1.0
189.63423	1.0
199.11388	1.1
203.24251	1.0
211.02478	8.2
221.09709	4.0
233.34360	1.1
237.12907	1.1
245.15318	1.0
249.14957	4.2
249.44231	1.0
251.12860	3.4
255.13911	3.1
271.04623	12.3
273.14987	19.1
274.12128	1.5
275.12833	1.2
275.44476	1.1
297.14868	1.4
299.16583	1.6
300.99899	2.2
301.18198	1.4
317.17459	3.1
331.06616	4.2
340.99191	1.1
347.18579	1.4
355.19095	2.9
373.20209	15.9
387.21552	2.8
391.21298	100.0
392.21848	5.8
439.24817	2.9
457.25903	3.3
473.20306	1.7
475.27032	13.5
477.28702	2.5
536.28680	1.2
537.06451	2.4
537.19611	5.2
537.32556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
59.01385	38.2
69.25682	22.9
71.01375	11.4
71.05019	4.2
73.02962	4.9
83.05042	7.4
85.02959	18.3
85.06599	6.1
89.02454	13.7
95.14283	3.6
97.06604	45.3
101.02456	7.4
113.02448	10.8
119.03498	3.9
121.03027	4.4
122.03307	3.9
123.00926	7.2
125.02482	10.7
138.01979	13.7
146.03815	6.1
159.10323	4.8
164.04771	5.2
169.01410	10.7
173.11833	40.4
179.05690	5.1
179.07178	9.6
193.01219	3.8
273.15152	3.9
274.40744	3.4
279.15982	4.7
285.50430	4.0
299.99054	3.9
300.99707	7.5
301.18118	6.0
311.71799	4.1
319.19162	14.9
369.11523	4.2
382.63297	5.1
391.21393	19.8
477.28857	7.8
493.32080	100.0
494.32028	8.3
536.32886	23.5
537.06311	5.2
537.19873	9.9
537.32245	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	536.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89848	1.5
57.03459	4.7
57.75055	1.9
59.01367	5.6
63.67978	2.6
69.20676	10.6
69.86705	1.7
71.01378	4.4
85.02946	10.1
85.06599	2.4
94.32262	1.7
95.01397	2.1
97.06599	38.1
123.00902	6.5
124.01681	5.4
125.02432	7.1
129.09192	3.5
151.00441	2.5
163.31776	2.3
168.00647	3.1
169.01479	14.7
173.11836	46.6
211.02408	5.8
213.31778	2.1
271.04544	8.9
273.14966	4.5
283.17050	3.4
301.18069	6.1
319.19186	13.8
320.19592	3.1
373.20096	2.5
391.21350	19.5
399.25223	2.3
493.31781	100.0
494.32056	9.6
510.91315	2.3
536.32404	6.2
537.12170	2.5
537.19702	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	536.3358
Annotation	CHEBI:75219
Peak:m/z	Relative Intensity
59.06059	1.0
69.37298	1.4
69.37593	6.0
72.73180	1.1
146.78804	1.2
184.57430	1.2
249.43480	1.2
282.19363	1.4
371.80933	1.4
460.37546	1.3
471.34714	15.1
472.34647	1.6
515.83612	1.6
536.33630	100.0
537.33563	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	537.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
59.01384	27.4
61.20435	0.6
61.98829	1.9
69.03432	0.7
71.01377	10.4
73.02955	4.0
74.53333	0.6
83.01391	1.7
85.02969	3.3
87.00877	3.0
87.04530	1.0
89.02451	7.6
95.01400	1.6
99.00889	1.0
101.02461	4.8
101.06064	1.3
107.01397	1.1
111.00925	0.8
113.02464	3.2
117.03458	1.4
119.03495	1.3
123.00851	2.5
124.01672	1.1
125.02464	7.5
127.34917	0.7
134.03748	1.3
135.04565	1.4
137.02530	1.1
137.09773	0.7
139.00386	1.2
140.94377	0.7
145.02953	6.2
151.00385	0.8
155.10751	1.3
161.02446	1.2
161.04568	2.0
162.03290	0.8
163.07660	0.8
168.00624	0.8
169.01457	7.9
172.01741	0.8
179.03448	0.8
179.05641	0.7
179.10680	0.7
183.13951	4.0
185.02493	0.8
193.05051	0.7
195.13853	1.0
197.15437	0.7
199.09648	0.7
200.01170	0.8
209.04631	2.0
209.08144	0.9
211.02443	0.9
213.14986	7.4
214.99915	1.0
226.02144	0.7
229.01399	1.5
235.18542	0.8
237.15257	0.9
242.99345	3.1
244.00043	0.8
254.99429	1.2
257.00937	2.4
266.99338	2.1
269.00806	0.8
270.98846	15.8
282.99191	0.9
283.99643	6.0
285.00443	1.3
285.18652	1.5
297.00436	6.9
298.01175	5.8
298.98401	11.1
299.01672	1.5
299.99121	16.4
300.99893	13.9
309.00449	2.9
310.01239	1.0
313.05481	1.6
322.01169	1.6
323.02069	0.9
323.09921	1.4
323.99014	2.2
324.99857	4.1
333.16980	0.9
336.99924	3.4
338.00674	0.9
341.10825	3.3
350.00613	1.0
351.01575	1.2
351.12918	1.1
357.26682	0.8
363.01804	0.9
375.01416	1.7
375.27396	4.4
377.03143	1.0
391.00772	4.4
392.01825	1.1
403.04733	1.0
405.02090	0.8
419.00214	7.3
420.98026	1.0
421.05737	1.9
447.03210	1.2
463.06744	1.6
465.08743	1.4
475.06815	1.1
477.22656	1.6
477.28757	4.5
477.33435	1.5
491.06369	6.9
493.07864	17.6
493.15662	1.0
494.08331	0.9
519.06012	3.8
536.31470	2.5
537.06824	100.0
537.18774	7.2
537.26312	2.9
537.34064	4.3
538.07190	5.7
558.00671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.3
61.09297	3.1
71.01395	3.7
80.36572	2.9
82.95442	8.2
84.01645	2.7
87.24226	2.9
103.00383	39.8
107.01409	3.4
123.00901	13.0
123.04576	3.3
124.01688	6.2
124.70781	2.9
125.02448	11.2
142.58823	2.9
151.00388	9.1
168.00568	3.2
169.01411	15.1
202.77670	3.3
258.82626	3.0
259.38092	3.5
301.00110	3.8
305.81467	2.9
433.13553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71779	1.7
59.01387	26.7
61.52739	1.7
64.62766	1.7
67.20741	1.7
69.79025	1.5
70.27338	2.5
70.27671	4.0
71.01383	2.3
79.81534	1.6
80.85313	1.8
89.49617	2.0
99.99010	2.1
101.02400	2.6
103.00379	35.6
107.01458	2.6
123.00919	9.0
123.52525	1.6
124.01674	7.2
125.02483	11.3
141.01917	1.7
151.00429	11.0
166.37334	1.8
169.01466	14.2
363.62057	2.0
433.13507	100.0
434.13965	4.1
439.88278	2.3
513.13452	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.5
57.06876	0.5
59.01382	9.3
60.76817	0.5
67.01869	0.8
69.29618	2.1
69.30024	1.1
71.01385	5.7
73.02937	1.2
77.51985	0.5
82.00607	0.7
83.01387	1.1
85.02935	2.5
89.02455	2.9
91.23116	0.5
95.01395	1.6
96.95950	0.6
101.02446	3.7
107.01389	2.9
111.00880	1.6
113.02433	2.1
121.02929	0.5
123.00883	5.1
123.43724	0.5
124.01671	13.2
125.02463	24.4
128.82800	0.6
136.98795	0.9
137.02443	1.4
139.00395	1.4
139.04112	0.5
140.01128	2.0
141.01924	1.0
149.02420	1.0
151.00311	3.2
151.03973	0.6
152.01157	0.5
161.02396	1.0
161.04503	1.1
165.01979	0.9
167.03488	1.5
168.00645	12.4
169.01442	33.5
170.01689	0.6
193.05037	0.5
211.02484	54.4
212.02863	1.4
241.03578	1.7
271.04611	100.0
272.05054	2.8
295.00266	0.5
296.57004	0.6
312.99960	1.3
313.05630	0.5
315.12469	0.6
331.06741	23.0
332.06952	0.7
340.99484	3.0
345.13440	0.8
375.14481	4.5
515.82483	0.7
537.07629	3.2
537.19946	31.7
537.29150	5.7
538.20264	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	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03498	0.3
59.01383	6.8
59.04047	0.3
63.21742	0.3
67.01885	1.0
69.03468	0.9
69.34409	1.7
71.01388	3.9
73.02950	0.6
73.11858	0.3
78.01105	0.4
79.01901	0.9
81.03460	0.4
82.00615	0.4
83.01398	1.0
85.02978	2.3
85.38551	0.3
86.00156	0.4
87.00889	0.6
89.02466	2.2
95.01405	2.0
96.95969	0.4
97.02964	1.1
99.00878	0.7
101.02467	2.5
107.01407	4.7
111.00896	1.0
112.99500	0.3
113.02449	0.9
119.03509	0.4
123.00903	15.8
124.01683	12.4
125.02467	19.4
127.00400	0.5
129.53323	0.3
130.95551	0.3
136.05344	0.4
136.98805	0.6
138.06854	0.4
139.00418	2.3
140.01189	2.1
141.01965	2.3
142.99228	0.3
151.00397	9.8
151.07550	0.4
152.08444	0.5
153.01981	0.9
153.09225	1.3
161.04654	0.6
163.11293	0.6
167.03525	0.5
168.00668	5.5
169.01448	26.5
170.01685	0.4
179.03571	0.4
183.60316	0.3
205.12341	1.4
211.00618	0.7
211.02509	8.4
214.26454	0.4
215.78871	0.3
241.03568	0.4
253.03606	0.5
271.04654	6.6
297.06177	0.3
313.05630	1.3
331.06900	0.5
340.99548	1.5
355.87430	0.4
370.26019	0.4
501.19836	1.1
522.16766	0.4
537.19849	100.0
538.20251	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
51.07369	0.6
52.85736	0.7
55.01873	0.7
55.97515	0.6
57.03447	1.2
57.32566	0.7
59.01385	13.7
61.98824	0.9
63.27930	0.6
66.57762	0.5
67.01893	0.7
69.03438	1.1
69.54558	2.7
71.01389	6.9
72.99310	0.7
73.02956	2.3
77.30074	0.6
79.01920	1.3
82.00608	1.2
83.01395	1.3
85.02955	3.6
89.02461	3.9
92.12981	0.6
93.21152	0.7
95.01398	3.8
97.02936	1.5
99.00887	0.7
99.01925	0.6
101.01891	0.7
101.02443	3.9
107.01392	4.1
111.00895	1.7
113.02456	3.0
119.03518	1.3
121.02964	4.3
123.00903	16.9
124.01685	11.5
125.02464	19.4
135.04535	2.2
136.98820	1.1
139.00394	3.3
140.01180	2.6
141.01947	2.7
149.02460	0.9
151.00395	9.8
161.04622	1.1
163.03949	0.9
165.01950	2.6
166.99858	1.7
168.00642	5.5
169.01448	26.3
174.47426	0.6
177.01949	1.5
194.21861	0.7
205.12389	0.9
211.02504	10.3
214.27661	0.7
271.04642	12.7
273.14862	0.6
297.06171	0.6
300.99927	1.2
313.05655	1.9
331.06442	0.7
340.99329	1.4
354.55933	0.8
357.20670	0.8
375.21765	1.9
375.27310	1.2
386.90790	0.6
391.21463	1.1
392.21555	0.9
477.28818	1.4
537.19855	100.0
537.31531	5.6
538.20435	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
61.98832	0.9
66.74290	0.7
73.02931	0.8
76.29721	0.9
90.14539	0.8
100.47638	0.8
104.17289	0.6
108.02180	2.3
109.02930	1.7
117.54186	0.7
117.87997	0.9
121.02988	3.3
122.03794	1.4
123.00945	1.2
123.04525	1.3
132.14226	0.8
135.04549	3.7
143.05040	1.2
145.02995	1.0
146.03746	2.3
147.04541	6.7
148.05333	1.2
149.02455	1.0
150.03244	1.4
151.00288	1.0
158.03760	4.5
159.04535	10.1
160.05318	19.1
161.06088	12.2
163.04091	5.0
164.04837	4.2
173.06113	5.5
174.06905	2.5
175.07657	14.5
176.04846	1.3
177.05562	4.6
178.06372	7.9
179.07124	0.9
192.07997	4.6
210.06900	1.0
221.06067	0.9
225.05579	1.7
225.09242	1.0
226.06442	1.8
237.05577	2.2
238.06380	5.3
239.07184	4.5
249.05638	1.3
250.06264	1.5
251.07108	1.1
252.04147	0.9
253.04974	1.8
253.08707	1.3
254.05858	5.2
255.06570	4.2
264.07858	1.6
265.08722	2.1
266.05847	10.3
267.06644	19.1
268.07568	1.4
269.08200	14.2
270.08932	3.9
277.34366	0.9
280.41779	0.9
281.08203	24.4
282.08939	8.7
283.09775	2.1
284.10565	2.5
293.08081	0.8
296.10382	1.9
297.11041	0.9
302.07910	1.3
314.08099	1.8
316.09512	2.2
371.14935	1.1
387.91843	0.9
401.16040	0.8
417.13702	1.0
429.13467	3.1
432.15869	1.5
443.14780	1.4
444.15723	6.1
447.17999	2.9
459.18628	7.1
462.16922	1.3
474.16745	3.5
477.19217	70.6
478.19788	5.3
489.19263	100.0
490.19574	6.6
507.20432	7.1
519.20325	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	537.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52558	1.8
53.30557	2.1
59.01372	9.6
59.80085	2.0
61.98809	3.6
69.24696	13.0
88.98855	3.1
89.02438	2.8
100.28165	2.1
103.97356	2.1
108.02170	2.9
109.02866	2.8
115.18049	2.1
121.02945	13.5
122.03754	3.1
123.61120	2.2
145.03017	3.2
147.04514	4.7
158.03806	2.3
159.04524	4.2
161.06021	4.0
172.05338	3.5
173.06137	2.5
174.06854	2.9
175.07571	3.3
180.07910	3.1
199.35718	2.5
220.07376	3.0
223.09714	5.8
247.03839	2.4
260.08582	2.2
265.08813	4.4
266.05765	2.5
267.06433	3.9
274.91946	2.3
275.07126	4.7
276.07898	2.5
277.08728	6.0
281.08179	4.7
282.09119	2.5
291.10052	3.6
292.07379	7.0
293.08200	22.8
294.08978	11.2
295.09854	3.6
296.10657	3.7
297.07745	4.3
304.07458	4.0
305.08200	19.0
306.09006	13.6
307.09610	3.9
308.10556	13.8
309.11273	15.8
311.09335	3.4
313.11392	3.1
319.09772	4.4
320.10663	18.5
321.11328	25.8
322.08347	3.3
322.11896	5.2
323.09143	5.7
323.12866	13.1
325.10590	5.4
326.11618	9.4
335.12878	5.9
337.10861	5.8
338.11618	12.8
371.15152	3.9
419.35080	2.5
447.18591	2.8
459.14093	5.4
462.16754	3.5
474.16818	13.4
477.19208	100.0
478.19733	3.8
489.19406	56.6
490.19778	3.7
499.20798	4.7
504.17752	6.1
507.20160	7.3
519.20282	99.1
520.20477	6.0
537.19482	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.6
57.70569	1.8
59.01385	41.7
60.99315	15.4
61.98832	5.0
70.36963	3.7
71.01385	9.9
73.02962	1.8
75.74074	1.9
85.02964	5.2
87.00897	2.9
88.98817	100.0
89.02453	30.8
99.00899	2.1
101.02460	6.6
113.02484	4.2
124.01737	2.2
124.75925	1.7
125.02431	8.5
133.09148	1.6
139.03951	2.5
145.02943	3.9
151.84842	1.6
161.04588	6.2
168.00705	2.3
169.01440	5.1
179.03506	2.6
183.13918	7.0
195.13928	5.7
209.08221	2.6
209.11969	2.4
213.14977	55.3
216.97075	1.7
270.98746	2.1
281.12418	15.2
298.98340	3.8
299.99109	5.1
300.99982	3.9
419.00519	2.2
493.07767	3.7
537.06812	19.8
537.32715	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40104	0.2
59.01378	0.5
59.38925	0.2
61.98838	0.3
62.06015	0.2
69.60960	0.2
71.01365	0.3
78.95900	0.2
83.46173	0.2
85.02930	0.2
87.80299	0.2
93.03463	0.2
96.96032	0.2
107.05041	1.4
117.03473	0.4
124.01614	0.2
125.02490	0.3
134.03758	3.4
135.04536	100.0
136.04878	1.8
145.01459	0.2
161.02472	0.2
165.05605	0.4
179.03523	1.3
179.07120	0.4
211.13387	0.2
213.14993	0.7
229.32120	0.2
439.80148	0.2
455.31271	0.2
457.33127	0.2
501.32220	3.9
502.32858	0.2
537.24323	0.8
538.13776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98824	0.4
62.47988	0.1
64.29098	0.1
71.01390	0.6
78.91905	0.2
79.05505	0.2
80.91685	0.1
85.02988	0.2
87.00887	0.1
89.03973	0.2
91.05566	0.2
93.01123	0.1
93.03472	0.2
95.01417	0.2
96.96015	0.2
98.21896	0.4
99.00797	0.1
99.92570	0.3
100.93368	0.2
101.02463	0.3
107.05033	3.1
108.02190	0.1
113.02470	0.2
115.92090	0.3
116.92880	1.6
117.03450	0.4
121.02918	0.2
123.04540	0.3
125.02459	0.2
125.09458	0.1
131.97018	0.1
134.03760	3.6
135.04536	100.0
136.04871	1.9
137.06108	0.5
145.01353	0.1
149.06067	0.2
151.04013	1.2
153.05574	0.6
169.01480	0.2
179.03508	11.5
180.03876	0.3
183.13943	0.5
195.13901	0.6
209.15395	0.2
213.14975	5.6
213.16983	0.3
214.15408	0.2
255.16039	0.2
301.00211	0.2
302.92419	0.1
305.95056	0.1
360.83023	0.1
365.11884	0.1
418.37198	0.2
464.49548	0.1
509.23935	0.2
537.06476	0.3
537.23474	3.1
538.24359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.1
59.01387	36.3
61.34802	0.8
61.98825	2.4
69.03432	1.0
69.21498	5.1
71.01385	8.8
73.02944	5.0
75.00912	1.0
83.01376	1.4
85.02966	4.6
87.00855	1.1
87.04579	1.0
89.02440	7.4
95.01367	1.0
96.95985	0.9
97.02984	1.5
99.00934	1.6
101.02454	5.4
107.01422	1.2
107.05039	0.9
108.02193	0.9
109.02985	1.0
113.02462	2.6
121.02879	1.2
123.00885	1.8
124.01688	1.8
125.02458	8.6
134.03787	1.5
135.04573	1.8
145.02991	2.1
149.04628	2.4
153.59184	1.0
155.10736	1.2
161.04549	1.7
163.07648	1.5
169.01454	7.2
179.03584	1.0
183.13948	0.8
185.02448	1.5
193.01538	1.0
199.09683	1.2
200.01166	0.9
211.02585	0.8
213.01917	1.2
214.99963	1.1
219.08894	1.5
229.01524	2.8
233.06827	1.1
242.99391	4.0
249.14951	1.3
254.99492	1.5
257.00989	3.0
266.99542	1.9
268.00177	1.1
270.96176	1.3
270.98904	17.3
271.04669	1.0
273.15082	1.7
279.00656	0.9
282.01556	1.1
283.99747	7.2
285.00519	2.0
293.08832	2.1
297.00421	10.7
298.01236	7.9
298.98373	10.8
299.01917	2.6
299.99161	16.4
300.99945	14.0
309.00473	3.5
311.01944	1.1
313.00204	1.2
323.01965	1.8
323.99136	1.8
324.99850	4.2
331.06805	0.9
337.00037	3.3
338.00757	1.9
340.99255	1.0
347.18607	1.8
351.01407	1.5
351.13031	2.9
357.26410	2.0
375.27475	5.7
391.01025	5.0
392.01843	1.3
392.98691	1.8
405.02530	1.4
415.92844	0.9
419.00357	8.9
420.97839	1.7
421.05505	2.7
447.07764	1.2
449.05066	1.2
459.27097	1.1
463.06808	1.4
465.08545	1.2
475.06735	1.1
477.23114	2.5
477.28467	13.4
491.06293	8.3
493.07846	18.0
493.16110	1.0
493.17725	1.0
509.07333	1.8
519.05634	3.9
537.06848	100.0
537.18555	4.8
537.33289	5.3
538.07178	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	537.3075
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
52.07003	0.4
57.03452	1.5
58.82850	0.4
59.01384	100.0
60.01737	0.5
61.98829	0.6
69.03451	0.4
71.01394	0.6
71.05041	0.8
73.02963	0.5
73.57005	0.3
83.05038	0.6
85.02959	5.0
87.04569	0.6
97.06593	0.7
99.04552	1.8
101.02493	0.8
107.05050	0.7
109.03053	0.4
113.02484	0.5
123.00871	0.7
125.02464	0.7
125.06101	1.0
129.09285	1.3
150.03288	0.5
157.08716	0.5
158.09387	0.4
159.10229	0.6
165.05562	0.5
166.06419	0.9
167.07126	0.4
169.01532	0.5
171.38748	0.4
209.04773	0.5
213.12860	0.5
221.09857	0.5
239.14473	0.6
247.17188	0.6
249.15114	1.6
250.12038	0.5
251.13113	0.9
255.13954	0.5
265.32788	0.4
267.06848	1.2
267.14157	0.5
273.15109	2.6
277.05338	0.5
283.17136	0.4
285.15079	0.8
295.06064	3.6
301.00165	0.5
301.18277	1.2
310.08627	1.7
311.16806	0.6
313.14429	0.9
319.19073	2.6
325.10855	3.6
329.17871	1.3
347.18689	3.0
355.12177	1.0
361.20135	0.8
390.20480	0.8
397.72388	0.4
441.26831	0.5
459.27811	1.8
477.28540	48.0
478.28995	3.7
489.19281	0.5
537.21838	1.9
537.31769	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	537.3284
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.65235	0.5
51.69361	0.4
55.01883	0.5
57.03444	1.0
57.56721	0.4
59.01385	24.7
60.01686	0.4
61.98834	35.0
62.40126	0.5
63.99273	0.5
69.03475	0.7
69.57226	1.4
69.57634	0.7
71.01384	10.0
72.99310	0.5
73.01366	0.4
73.02953	2.9
81.03447	0.6
83.01396	1.6
85.02966	4.4
87.00874	1.1
87.04543	0.8
88.41232	0.5
89.02460	5.1
93.03485	0.7
95.01394	1.7
96.95985	0.5
98.21928	0.9
99.00889	0.8
101.02449	7.4
113.02470	3.9
119.03485	1.5
123.00840	0.8
123.08140	0.5
124.01649	0.6
125.02454	3.3
133.01471	0.5
133.02943	0.7
133.72124	0.4
135.04550	0.9
137.02435	0.5
139.25998	0.4
143.03517	0.6
149.04536	0.5
151.00427	0.5
157.12323	0.6
161.02470	1.6
169.01393	3.0
169.12337	0.7
185.11867	0.6
199.65540	0.5
200.01210	0.9
211.02467	0.9
213.15063	1.2
215.12923	0.8
242.99283	0.6
270.98865	2.6
271.04703	1.3
271.99252	0.6
283.99588	1.1
285.00284	0.7
297.00546	0.6
298.01004	0.6
298.98404	2.6
299.99084	4.2
300.99899	1.7
309.00357	0.5
313.05734	0.7
321.41992	0.5
324.99805	0.6
329.23273	1.3
339.25537	0.6
340.99539	0.6
341.11029	0.9
355.25104	0.7
357.26517	5.1
361.19427	0.5
373.26025	0.6
375.03491	0.4
375.27545	16.9
376.27652	0.5
391.00803	1.2
417.02414	0.6
419.00397	1.6
477.32553	0.6
491.06259	1.3
493.07776	2.8
519.31842	2.6
537.06866	16.6
537.19525	2.4
537.32861	100.0
538.06921	1.9
538.33142	7.7
544.03973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93104	0.6
56.10703	0.7
59.01348	0.7
61.98820	1.1
62.78308	0.7
62.89540	0.6
67.88132	0.6
69.15779	3.7
78.95908	16.2
152.99632	4.5
168.04305	3.2
171.10406	0.9
224.06961	7.4
242.08014	1.4
255.23311	100.0
256.23727	3.3
403.19437	0.8
480.31000	66.5
481.31400	2.5
537.25482	0.7
537.33246	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01573	1.3
51.29271	1.1
154.00188	1.3
175.45255	1.3
194.15353	1.2
227.19049	1.2
351.21704	1.4
381.08527	1.3
455.35349	100.0
456.35638	10.9
522.39801	1.5
537.35687	58.1
538.36011	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	538.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35077	0.5
57.03445	2.1
59.01382	3.0
60.58786	0.6
65.05544	0.6
69.03439	0.5
69.18802	2.0
69.19227	1.7
69.71358	0.5
71.01387	1.2
73.02966	0.6
74.71613	0.5
85.02960	7.6
87.04523	100.0
88.04821	0.9
89.02475	0.6
95.05033	0.6
97.06627	0.9
104.88615	0.5
107.01396	0.9
107.05033	0.6
108.35597	0.5
123.00861	1.5
124.01661	3.2
125.02450	5.7
125.06110	1.3
134.06793	0.6
139.07663	1.3
150.03151	0.6
168.00650	2.3
169.01447	7.0
175.09726	3.1
187.94633	0.5
211.02501	8.7
212.02917	0.7
221.09631	0.6
231.13937	1.0
232.10997	0.5
233.15659	1.0
236.54883	0.6
267.14096	0.9
271.04608	15.7
272.05185	0.7
273.15051	2.1
283.17197	0.8
285.15012	1.1
301.18042	3.5
319.19266	6.3
322.47223	0.6
331.06689	4.4
343.19141	0.9
361.20258	2.5
373.20041	1.2
387.16946	0.9
391.21130	1.5
401.23291	2.0
407.24374	4.4
408.24808	0.6
419.24609	1.5
477.28726	2.1
495.29691	90.5
496.29889	5.8
538.20453	1.3
539.21802	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	538.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.2
59.01384	14.8
59.78807	0.8
59.98611	0.7
61.98838	8.9
63.97373	0.7
69.85491	1.5
69.85850	1.6
71.01382	8.5
71.05009	1.1
72.02147	1.0
73.02950	9.2
77.82534	0.7
80.60359	0.7
83.01379	1.4
83.05032	24.2
85.02953	10.5
87.00882	1.1
87.04520	11.6
89.02446	2.6
93.03493	0.9
95.05026	2.9
97.06575	2.0
99.04506	2.6
101.02438	4.2
101.06084	3.4
113.02473	2.5
113.06105	4.6
119.03483	1.0
122.03738	2.0
123.00861	1.3
124.01652	0.8
125.02451	2.3
125.06110	1.5
131.07121	2.4
133.02936	2.0
135.04463	0.9
136.86197	0.9
139.07684	4.0
145.08659	0.8
149.02460	11.0
150.03233	12.3
164.04785	2.1
165.05574	10.2
166.06378	1.2
169.01439	2.0
174.52740	0.7
175.09767	47.6
176.10190	1.1
181.08734	1.8
195.06613	3.1
211.02553	0.9
247.02449	0.9
247.17133	0.9
247.30295	0.9
271.04575	0.9
273.14911	1.2
283.16949	1.2
285.14859	0.9
300.99768	1.1
301.18304	4.3
314.11673	2.0
319.19165	7.5
329.13934	4.6
340.99399	1.5
341.99698	2.6
343.14032	4.6
361.20139	1.2
385.24255	1.1
403.24924	1.1
477.28485	1.5
479.78204	0.8
491.19284	37.1
495.29684	100.0
496.30148	6.6
538.06903	4.8
539.21423	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	538.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.9
88.16211	4.0
187.73187	4.3
209.11887	11.4
211.13431	19.1
371.39218	4.8
473.36349	27.0
478.10168	4.6
538.35162	100.0
539.35229	5.9
561.54919	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	539.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81496	1.2
53.65526	1.0
59.01081	2.2
59.01383	44.3
70.48698	1.9
71.01388	31.3
72.99349	1.2
73.02962	5.4
74.49133	1.0
85.02958	6.1
87.00876	9.5
89.02454	42.6
92.92804	12.1
94.92522	3.7
95.01389	1.5
97.02966	1.2
99.00891	1.7
101.02451	26.3
108.90206	7.6
110.89936	4.2
113.02461	18.0
113.82496	1.2
119.03523	10.8
131.03517	3.7
143.03520	5.7
144.86984	5.2
149.04562	1.8
161.04567	13.4
168.91473	3.5
170.91081	1.3
179.05627	41.0
180.05882	1.2
194.92831	1.4
221.06667	27.0
263.07394	1.4
265.29822	1.2
279.55545	1.2
281.08820	3.3
323.09848	3.9
341.10840	7.1
358.70602	1.1
377.08646	11.4
383.11948	14.1
414.85938	1.3
487.35098	1.1
503.16232	100.0
504.16574	4.2
539.13910	49.6
540.14105	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	539.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01387	10.9
67.01886	1.6
67.98000	0.6
68.76121	0.6
69.03451	1.0
69.50091	2.9
71.01382	2.3
71.05022	0.8
73.02946	0.9
78.01095	1.0
79.01897	1.2
79.36604	0.7
81.03475	0.8
83.01398	1.5
83.05046	6.4
85.02966	5.0
87.04538	0.8
89.02483	1.1
95.01395	1.3
97.02941	1.5
98.22574	1.3
101.02457	2.2
107.01402	7.1
111.00898	2.0
113.02461	1.4
115.07677	1.0
123.00899	14.5
124.01675	20.0
125.02460	34.6
125.06076	0.8
127.00387	1.0
135.04597	3.6
136.98799	1.5
139.00414	3.1
140.01173	3.3
141.01958	2.2
151.00394	9.7
153.01936	1.1
159.10278	8.1
163.04083	0.7
168.00644	6.0
168.33675	0.7
169.01436	38.1
194.39485	0.8
211.02507	2.7
235.83278	0.6
271.04550	1.3
273.14795	0.7
299.16498	0.7
301.18097	1.5
313.05759	1.0
317.17645	10.8
319.18976	3.4
369.11920	5.0
387.13000	17.7
478.29034	0.9
479.30127	25.5
539.14014	100.0
539.21423	24.7
540.14270	6.3
540.21503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01386	6.6
61.98852	0.7
66.18557	0.5
67.01894	1.0
69.03462	0.7
69.43951	1.2
69.44338	0.9
71.01387	2.2
71.05011	0.9
72.77477	0.4
73.02967	0.9
78.01088	0.6
79.01910	1.4
81.03463	1.3
83.01394	0.7
83.05033	7.0
85.02962	3.8
95.01402	2.2
97.02959	1.8
97.06612	0.5
101.02446	1.3
106.00556	0.5
107.01403	7.8
107.04981	0.7
109.17532	0.5
111.00877	2.4
113.02479	0.7
115.07658	1.2
116.05642	0.5
121.02883	0.7
122.99997	0.6
123.00903	13.0
124.01683	20.3
125.02469	35.8
125.06051	0.5
127.00428	0.5
135.04546	1.8
136.98805	1.0
139.00378	3.0
139.01260	0.5
139.83023	0.5
140.01193	3.2
141.01958	1.9
151.00394	8.7
153.01985	0.9
159.10281	7.0
163.03992	0.5
167.03542	0.7
167.99359	0.7
168.00668	7.7
169.01457	37.9
170.01852	1.2
180.06421	0.5
193.67975	0.5
206.00148	0.6
211.02573	1.5
230.69629	0.6
237.04036	0.6
242.39577	0.5
271.04654	0.8
285.72876	0.4
295.04568	0.7
301.18060	1.2
313.05792	0.8
317.17706	3.5
318.18008	0.7
319.19254	2.8
355.02539	0.5
361.59119	0.5
369.12024	5.9
387.13028	22.1
388.13205	0.8
391.21115	1.1
479.23294	1.0
479.30182	17.3
480.30936	0.7
539.14124	100.0
539.21130	6.7
540.14459	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53508	0.5
57.03455	0.7
59.01382	9.5
61.98840	0.6
65.73643	0.4
67.01895	1.0
69.03461	1.1
71.01389	1.8
73.02977	1.0
75.00874	0.5
75.85370	0.5
78.01117	0.8
79.01900	0.9
81.03471	0.7
85.02953	2.6
87.04522	18.5
95.01390	2.1
97.02972	1.2
101.02452	1.5
107.01402	9.0
110.00142	0.5
110.33228	0.5
111.00872	2.0
112.80917	0.5
122.99992	0.8
123.00900	13.9
124.01686	19.5
125.02463	38.0
127.00381	0.7
134.99312	0.5
135.04523	0.8
136.98811	1.7
139.00388	3.1
140.01169	2.9
141.01945	2.8
151.00366	8.7
153.01958	1.2
153.05641	0.5
154.99841	0.4
166.99915	1.0
168.00661	9.2
169.01443	40.3
170.01776	0.7
211.02492	5.0
212.82829	0.4
270.23901	0.4
271.04633	6.4
275.02084	0.5
281.06885	0.5
283.17172	0.5
295.04608	0.5
295.72717	0.5
300.99664	0.6
301.18018	1.2
313.05704	1.6
319.19189	3.3
331.06717	1.5
369.11987	5.5
373.20038	0.5
378.57675	0.5
380.16968	0.4
387.13016	20.3
388.13187	0.5
391.21268	0.8
461.97110	0.4
479.30231	18.0
486.39236	0.5
539.14099	100.0
539.20953	5.7
540.14386	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	539.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02408	0.6
55.83873	0.6
57.03456	1.3
59.01385	16.6
59.01667	1.1
59.05757	0.5
61.98837	4.7
69.03468	0.6
71.01391	3.8
73.02985	1.2
73.18475	0.8
75.00889	0.5
81.03449	0.7
83.01413	0.6
83.05019	1.2
85.02953	4.1
87.04546	2.1
89.02480	1.9
95.01405	1.7
97.02985	1.0
101.02482	1.6
105.63976	0.6
107.01411	3.4
107.02054	0.5
107.05035	0.9
108.02185	7.3
108.02794	0.7
109.02975	6.5
110.24807	0.6
111.00911	1.2
113.02485	1.3
123.00900	11.3
124.01679	12.4
124.02497	0.9
125.02467	19.0
136.98805	0.8
137.02504	0.9
137.09753	0.8
139.00410	2.0
140.01239	2.1
141.02019	1.6
151.00383	6.3
152.01172	10.0
153.01958	3.6
159.10313	1.3
164.57330	0.6
165.02092	0.6
167.03560	1.1
168.00671	6.8
169.01437	31.2
178.99933	0.7
195.03027	0.8
211.02498	24.6
241.03641	0.8
271.04614	28.8
272.04980	0.7
273.15158	2.0
279.16110	0.6
299.16519	2.8
301.18005	0.8
308.61319	0.5
313.05783	1.5
317.17545	4.6
319.19290	2.1
331.06787	0.7
373.20175	1.3
391.21301	7.2
475.27542	1.1
479.30167	22.1
480.30594	0.9
539.21698	100.0
540.22198	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01383	8.7
67.01903	0.7
69.03479	0.5
70.43999	0.5
70.44341	0.9
71.01402	2.3
73.02982	0.6
78.01115	0.7
79.01907	0.7
79.10590	0.4
83.01395	0.4
83.05044	2.3
85.02940	2.1
89.02455	1.6
95.01379	1.8
97.02980	1.3
99.00928	0.6
101.02462	1.8
103.89284	0.4
107.01399	4.4
107.05003	0.4
111.00882	1.3
113.02472	1.2
123.00902	15.2
124.01681	11.3
125.02464	18.0
136.98798	0.8
138.06877	1.0
138.42030	0.4
139.00388	1.8
140.01163	1.6
141.01945	2.5
151.00385	11.2
153.02003	0.5
153.09207	2.5
159.10289	3.1
168.00676	4.5
169.01448	22.4
177.17596	0.4
207.14005	0.5
211.02560	2.4
220.55563	0.4
225.15007	1.0
270.04062	0.4
271.04724	2.2
301.18127	0.7
313.05563	2.1
319.19095	1.5
384.68073	0.4
438.52701	0.4
479.30106	8.2
480.30630	0.6
539.21381	100.0
540.21637	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	539.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34895	0.6
56.71170	0.7
59.01387	9.0
69.23627	3.7
71.01391	4.3
83.05043	1.1
85.02946	1.4
86.29276	0.6
87.04497	3.4
88.04871	0.8
89.02464	4.3
92.18939	0.6
95.01381	0.9
101.02477	0.9
107.01412	2.9
111.00865	0.9
123.00890	5.0
124.01672	13.6
124.02496	0.6
125.02466	23.1
127.00419	0.7
136.98869	0.8
137.02531	0.8
139.00407	1.5
140.01213	1.0
151.00368	2.8
157.91356	0.6
159.10223	1.0
167.03497	1.9
168.00674	11.5
169.01453	31.9
170.01811	0.9
211.02507	55.2
212.02832	1.0
214.31442	0.6
241.03622	1.4
256.49811	0.7
261.20020	0.6
271.04623	100.0
272.04901	3.5
331.06741	25.3
331.10748	1.3
387.16925	0.8
479.30066	1.9
496.29965	2.7
507.13278	0.8
539.21594	19.7
540.21564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03447	2.0
58.00591	1.6
59.01386	100.0
69.16360	6.2
69.39161	0.9
71.01390	52.4
72.01693	1.1
72.99317	1.0
73.02953	2.8
81.63654	0.9
83.01379	1.3
85.02955	9.2
86.35509	1.0
87.00856	3.0
88.19968	1.0
89.02456	65.4
95.01390	3.1
95.73703	1.1
97.46533	0.9
101.02460	25.3
108.02194	1.4
111.96946	1.3
113.02454	15.4
119.03524	21.9
121.02962	4.0
122.03726	3.7
123.00868	1.0
125.02453	2.0
131.03455	1.7
133.02925	1.3
136.78665	1.0
142.02141	1.0
143.03503	4.8
145.02945	2.9
149.02481	9.4
149.04524	1.8
150.03239	28.4
152.18591	1.0
161.02452	1.3
161.04652	5.0
161.05869	1.0
162.03279	11.2
164.04770	1.3
165.05594	28.7
166.06422	7.7
169.01405	1.1
177.05588	8.1
179.05618	11.2
180.04347	1.3
181.08730	2.9
195.06633	11.1
208.97711	1.2
226.22812	1.1
226.25230	1.1
268.16968	1.0
297.46884	1.0
306.27017	1.1
314.11621	1.7
329.13916	3.4
343.14047	4.5
446.20187	1.0
491.19354	21.5
492.19678	1.7
539.21490	5.9
544.83417	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	539.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03456	1.4
59.01387	19.9
61.98844	1.2
69.21138	5.3
71.01393	14.7
73.02940	6.8
73.17673	0.9
77.77782	0.9
83.01386	4.6
83.05023	4.4
85.02955	9.4
87.00877	2.2
89.02443	2.3
93.03486	2.4
95.01397	3.2
95.05043	1.2
96.96028	1.5
97.02987	1.6
98.21872	2.1
99.00917	1.9
101.02450	12.0
111.00879	1.5
113.02464	4.1
121.02971	6.4
122.03759	6.3
123.00854	1.3
123.04591	1.5
125.02449	2.0
132.02213	1.1
133.02974	8.2
134.03769	2.1
139.00403	1.3
139.07680	1.1
147.04535	1.5
149.02452	35.4
149.06079	2.2
150.03244	42.2
151.03745	1.1
164.04820	6.0
165.05588	31.0
166.06378	6.3
167.07137	1.4
169.01474	2.6
175.09775	5.2
176.10089	1.2
180.04349	1.8
181.08710	6.8
195.06635	10.3
271.04596	1.2
283.09805	1.3
314.11636	6.8
315.12286	1.4
329.13977	12.1
343.13947	11.2
361.20627	1.0
399.76950	0.9
491.19287	100.0
492.19626	8.1
495.29736	2.1
496.29993	13.4
539.21521	17.8
540.21600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75374	0.6
57.03447	2.3
58.00598	2.2
59.01385	100.0
61.98867	1.0
69.12163	1.3
69.12569	3.2
71.01389	49.7
72.99320	0.9
73.02950	2.1
75.00878	1.6
79.01929	1.0
83.01393	1.0
83.05031	5.4
85.02955	7.4
87.00888	1.0
89.02455	77.1
90.02818	0.7
95.01421	1.4
97.02931	1.1
98.21920	1.9
101.02452	6.2
106.92728	0.7
107.01434	1.8
111.00928	0.7
113.02457	6.9
115.07703	1.1
116.53680	0.7
119.03513	1.9
123.00929	6.0
123.04541	0.8
124.01708	5.8
125.02477	7.6
131.03522	8.3
134.03726	1.0
135.04518	0.9
140.01260	0.9
145.02983	2.6
145.26147	0.9
147.04539	1.3
149.03490	1.2
149.04596	13.3
149.05728	0.5
149.99582	1.0
151.00400	4.1
159.10291	5.7
161.02472	3.8
162.03256	25.3
162.53252	0.7
168.00659	2.7
169.01453	11.1
177.05594	16.8
180.04395	1.1
181.05099	12.0
195.06667	3.1
196.07451	6.9
209.11757	0.7
211.02541	1.3
211.09792	5.5
257.08182	1.4
271.04782	1.2
275.02005	1.6
300.99811	1.1
301.18289	1.5
319.19104	2.9
387.12915	1.1
391.21530	1.7
406.98114	0.8
479.23401	0.9
479.30203	17.5
539.13422	3.1
539.21356	41.6
539.33887	4.6
540.21625	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	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18490	0.4
57.91120	0.4
57.91417	0.4
59.01387	6.2
67.01901	0.8
69.03474	0.6
71.01385	3.4
74.41026	0.4
85.02955	0.9
86.00114	0.5
89.02449	1.8
95.01380	1.3
97.02936	0.7
101.02463	1.3
107.01395	4.0
108.74739	0.4
111.00874	1.1
113.02464	1.3
123.00908	10.3
124.01667	11.1
125.02464	18.6
136.98782	0.6
139.00395	2.1
139.04012	0.6
140.01184	2.7
141.01944	1.6
148.94839	0.4
151.00365	5.9
167.03465	0.6
168.00664	7.3
169.01439	28.9
170.01791	0.7
183.02881	0.6
211.02498	28.5
212.02841	0.6
241.03572	0.9
271.04630	30.0
272.04944	1.2
313.05634	1.1
364.97302	0.4
389.17761	0.4
420.18454	0.5
481.17197	1.2
521.20667	1.9
539.21375	100.0
540.21790	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	539.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01082	1.4
59.01385	28.1
60.21838	0.6
61.98831	1.4
69.14812	2.8
69.15220	1.8
70.17205	0.9
71.01391	2.0
72.53678	0.7
72.57023	0.7
73.02958	2.2
75.95361	0.7
83.05048	1.6
85.02956	9.0
87.04523	92.3
88.04857	1.3
94.04430	0.7
97.06572	1.8
98.21876	1.7
107.01373	1.5
107.05067	1.0
109.02988	1.0
117.60681	0.7
120.02227	0.7
121.02927	0.9
122.13252	0.8
123.00900	6.1
124.01704	7.1
125.02474	9.0
125.06091	2.1
138.03229	2.0
139.00401	1.0
139.04024	0.9
139.34183	0.7
140.01175	1.3
151.00352	2.8
153.01889	1.1
153.04454	0.9
153.05591	10.5
159.10240	1.6
163.07605	0.7
167.92462	0.7
168.00685	2.4
169.01422	12.8
177.55688	0.7
181.08707	1.2
182.02248	0.9
203.10858	1.1
211.02466	3.6
221.09766	0.9
223.09702	1.1
231.13860	1.1
250.12131	0.8
257.15521	0.9
267.13751	1.5
271.04703	4.0
273.14917	3.0
283.17041	2.9
285.14935	2.0
299.16647	0.8
301.18039	7.0
302.49606	0.8
313.05820	0.9
319.19162	21.9
334.90469	0.9
343.81638	0.9
352.84009	0.8
361.19800	1.0
373.20020	1.8
387.13147	4.1
391.21359	4.7
407.24472	1.7
443.28021	1.2
461.29129	1.9
475.27057	0.9
479.30191	100.0
480.30392	6.2
539.14142	13.3
539.21204	21.9
540.14185	1.6
540.21570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19929	0.4
50.99443	0.4
57.03456	6.5
59.01384	35.6
61.98853	2.2
61.99102	0.4
63.52629	0.4
64.76430	0.4
69.03454	0.7
69.15201	2.0
69.15612	0.7
70.99539	0.5
71.01376	1.9
71.05026	0.5
73.02947	1.0
83.05032	5.9
85.02959	14.3
86.75121	0.5
87.04521	0.6
95.05071	0.8
97.06587	1.2
101.06082	0.7
107.01429	0.7
107.05027	1.3
109.06606	0.6
111.00926	0.5
123.00881	1.7
124.01666	1.9
125.02450	5.6
125.06095	3.5
137.09795	0.7
139.07697	0.6
143.90259	0.5
149.06223	0.5
151.00356	1.4
159.10260	2.9
163.07629	0.6
168.00662	0.9
169.01451	4.4
173.11809	1.5
177.09198	0.5
183.11818	0.6
199.33165	0.4
203.10849	0.5
211.02466	0.9
221.09819	0.6
221.11838	0.5
231.14059	1.1
232.10994	0.5
233.15512	1.3
237.11331	1.1
245.15503	1.2
247.17088	1.6
249.14973	1.7
250.12198	1.1
253.15994	1.1
255.13948	1.0
272.14014	0.6
273.14996	2.4
283.17010	1.9
285.14914	1.0
299.16415	0.5
301.18094	7.5
304.16721	0.7
319.19135	14.2
320.19427	0.7
323.20148	0.8
325.18091	1.1
331.06958	0.5
341.21234	1.4
343.19131	2.5
345.20694	0.9
349.21619	0.5
359.22128	1.1
361.20135	5.3
363.21854	1.1
367.22772	1.1
373.19974	1.1
385.23859	1.8
387.12912	1.8
391.21219	3.9
403.24884	1.1
443.27917	1.0
461.29211	2.4
463.60556	0.5
475.27087	0.9
479.30167	100.0
480.30521	6.3
493.31921	4.4
539.13983	7.2
539.21033	5.3
539.32361	1.1
540.14142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.1
58.45790	0.8
59.01382	64.4
69.03466	0.9
69.65316	3.1
71.01383	2.0
72.31483	0.8
72.37897	0.7
73.02972	1.5
83.05034	3.0
85.02953	12.8
85.03423	1.5
87.00883	0.9
87.04510	1.3
89.02447	1.5
95.01384	1.5
95.05024	2.9
98.22562	1.8
101.02448	1.4
103.00377	2.2
107.01399	1.3
107.05099	1.9
109.06585	1.0
117.18359	0.8
123.00903	3.1
124.01676	2.5
125.02466	4.5
125.06119	2.1
135.04549	3.2
136.01685	1.2
139.00395	1.1
141.01884	1.1
143.10834	1.8
149.06094	2.2
151.00368	1.5
151.03969	1.4
168.00607	2.0
169.01448	6.9
169.99976	0.8
171.08167	1.1
171.50754	0.9
179.03455	1.1
181.94714	1.0
194.58664	0.9
195.77216	0.9
203.10608	0.9
209.13358	3.7
221.11781	1.8
225.12761	1.1
227.14542	0.9
229.12411	1.6
231.13892	1.7
243.14058	1.1
245.15381	1.9
255.13928	2.7
257.11615	1.0
259.90338	0.9
263.14603	1.1
265.12466	1.3
271.04578	1.1
271.17148	1.1
273.14990	7.0
275.12915	4.7
275.15686	0.9
280.00040	0.9
281.15424	3.2
283.13483	3.0
283.16766	1.0
297.15009	1.6
299.16537	22.1
300.16742	1.5
301.18054	2.6
317.17566	43.2
318.18060	1.8
319.19073	3.0
361.20184	1.7
387.13000	1.4
391.21243	2.3
435.12784	3.1
443.27966	4.3
461.29172	2.8
479.30167	100.0
480.30438	6.3
539.14050	2.3
539.21185	15.7
539.29700	1.3
539.33569	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18517	0.6
51.70235	0.7
57.03455	1.8
58.82125	0.7
59.01383	57.8
61.98833	40.0
71.01384	1.5
73.02947	2.1
75.00883	7.0
83.05030	6.3
85.02943	2.1
87.04533	2.0
115.82581	0.7
123.00915	0.8
123.04491	0.8
125.02437	1.9
125.06080	1.4
143.10750	1.7
150.03131	1.2
153.05737	0.7
159.10280	4.9
169.01416	1.5
187.40546	0.7
201.12863	2.2
219.13943	1.0
227.14507	1.3
229.12331	3.0
231.14008	0.8
233.21010	0.7
245.15439	3.2
247.13480	1.2
299.16678	1.1
301.18188	1.8
311.09106	1.1
317.17212	0.7
319.19446	1.1
333.17059	0.8
335.18008	0.8
387.25565	1.5
389.27066	2.4
431.48831	0.7
443.27908	1.5
461.28912	4.1
479.30161	100.0
480.30624	5.8
539.21368	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27296	1.3
52.02766	1.3
53.50906	1.3
57.01646	1.4
57.03443	5.6
59.01385	100.0
60.41966	1.3
70.72509	1.9
71.01392	9.6
71.05033	6.9
83.05035	55.0
84.95516	1.5
85.02930	3.6
89.02445	6.1
97.06637	1.7
101.02460	4.5
113.02460	2.7
115.07675	9.5
116.58904	1.3
119.03526	2.3
120.01251	7.7
123.00873	6.9
123.08167	3.4
124.01677	4.9
125.02454	8.9
139.00449	2.0
141.09229	2.5
150.03261	2.6
151.00426	4.6
159.10287	57.6
161.02496	2.4
162.03110	1.5
166.55313	1.4
169.01408	10.7
179.05766	3.0
211.02519	5.2
243.14041	2.1
251.14554	2.5
253.16034	3.5
271.04688	4.6
271.17072	22.8
289.18164	7.4
294.82019	2.0
301.18124	2.6
319.19067	20.3
325.18069	1.9
337.21667	2.9
377.15213	1.6
413.26855	3.8
415.25223	2.4
431.28088	29.7
449.29230	14.8
450.29086	1.7
461.29138	13.3
479.30182	91.8
480.30475	5.8
496.30243	2.6
539.21417	42.4
540.21527	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	540.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16520	0.6
58.00603	1.0
61.98822	1.9
69.18179	4.1
71.01398	2.1
71.92282	0.6
72.00917	13.5
76.58214	0.5
78.95912	2.6
87.00906	1.1
91.05540	1.5
99.00893	0.9
101.02434	1.3
113.02473	0.9
121.02971	2.5
134.04710	1.0
145.02919	1.2
147.04539	41.6
149.02460	12.8
150.03246	16.7
158.92529	0.9
161.02512	0.7
161.04556	2.7
162.03246	1.4
164.04839	6.1
164.07178	100.0
165.01892	1.4
165.05580	40.8
165.07527	2.1
166.05934	1.0
169.01463	1.2
177.05626	0.7
180.04303	1.7
195.06650	17.8
229.01561	0.7
275.01926	0.7
300.99887	2.3
327.10904	13.1
328.11285	0.7
392.99075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86100	0.2
59.01380	0.3
61.04532	0.2
61.98834	100.0
67.30795	0.2
69.18122	0.5
69.18537	0.7
72.07764	0.2
74.04377	0.2
92.38421	0.2
94.36082	0.2
100.30263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19452	0.3
59.01384	1.7
61.98834	100.0
81.65205	0.3
98.21807	0.7
111.99420	0.3
125.02413	0.5
169.01495	0.4
184.63852	0.3
187.64241	0.3
201.27925	0.3
298.06549	0.4
343.04730	1.0
480.30173	0.9
540.21729	0.3
540.32538	0.3
541.23438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60844	0.7
53.60283	0.7
55.01879	0.9
59.01386	12.6
67.01877	1.0
68.99815	1.0
69.03450	1.2
71.01394	7.8
71.18735	1.0
72.99315	0.8
73.02959	2.0
79.01895	0.9
81.03455	1.2
83.01395	1.9
85.02965	2.5
87.00891	1.5
89.02458	4.4
94.27126	0.7
95.01395	3.3
96.96037	6.2
97.02933	1.0
101.02461	3.5
101.63897	0.7
107.01402	12.7
109.02985	1.3
111.00888	3.0
113.02466	2.9
119.03518	1.5
122.03719	1.0
123.00901	22.8
123.04507	2.0
124.01689	19.0
125.02467	27.2
125.06095	1.2
127.00373	1.7
133.02930	0.9
135.04526	1.0
136.98845	2.1
137.02484	1.9
138.03236	2.4
138.86375	0.7
139.00406	6.1
139.04018	9.5
140.01183	3.9
141.01974	3.9
143.07152	4.7
144.11708	0.9
145.02997	0.8
147.04529	0.8
149.02444	3.0
149.06114	0.8
150.03238	11.4
151.00388	10.2
151.04010	2.7
152.04897	0.7
153.01880	1.1
155.10826	1.9
161.02486	2.0
162.03271	2.1
163.04033	2.8
165.01985	1.0
165.05556	6.1
165.43939	0.8
166.99879	2.5
167.03551	0.8
168.00677	12.4
169.01442	30.4
170.01862	1.0
179.03499	2.0
180.04285	2.7
181.04974	0.9
182.02245	1.0
183.03001	32.0
194.05753	1.1
195.06642	5.1
197.04594	1.3
203.03545	1.2
209.08238	1.4
210.01721	1.4
211.02498	14.3
211.04323	1.3
217.10846	3.4
221.45180	0.8
225.04106	6.2
229.01501	2.1
231.02959	1.4
249.04070	1.1
266.16962	0.8
271.04651	11.1
273.53387	0.7
275.02124	4.1
285.06161	2.7
299.99353	1.0
300.99835	6.7
312.04980	0.9
313.05798	1.1
327.07233	13.1
331.06741	1.0
361.15009	1.1
375.12930	1.7
399.09280	1.6
442.54160	0.8
450.99283	3.5
466.02798	1.4
479.11972	1.3
493.13516	30.4
493.20734	1.5
494.13815	1.7
505.15088	2.5
509.12140	1.1
523.14673	4.0
541.15668	100.0
541.23004	18.0
542.15924	6.6
542.22913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.9
59.01084	1.6
59.01385	31.5
61.98837	5.6
62.07485	0.8
67.01880	1.9
69.03443	2.9
71.01386	11.1
71.04977	1.1
72.99332	1.1
73.02938	6.8
76.30375	0.9
79.01900	1.7
81.03478	1.7
83.01398	2.1
85.02950	3.9
89.02447	3.6
95.01396	2.4
96.95998	2.8
97.02946	3.4
97.06616	1.5
98.21878	4.1
99.84892	1.0
101.02458	8.2
107.01399	12.0
111.00932	0.9
111.08132	1.2
113.02444	5.5
119.03453	1.2
123.00908	17.9
124.01664	5.1
125.02460	67.3
139.00333	2.1
139.04016	1.6
141.01936	3.0
151.00371	10.2
151.34435	1.0
153.01833	1.1
161.04526	2.0
165.01944	1.3
165.12854	27.2
167.03578	1.5
168.00594	3.1
169.01443	100.0
170.01759	1.6
179.05658	1.3
183.02953	1.1
183.13919	60.9
184.14297	1.2
193.01392	2.3
195.13960	1.2
197.15520	8.3
204.36540	1.0
207.13988	4.6
209.11856	7.6
211.02470	4.8
225.14981	7.4
227.12904	72.0
228.13156	2.6
229.67029	1.2
231.56488	1.1
251.12804	2.4
269.13977	8.2
299.15173	7.4
299.99030	2.0
300.99875	2.6
312.43680	1.1
313.05496	1.5
329.12454	1.8
329.16074	24.8
330.16321	1.6
386.71405	0.9
389.18201	46.3
390.18549	2.0
466.03250	1.3
481.17001	1.8
523.18164	7.0
541.19244	62.2
542.19537	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	541.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32270	1.4
59.01377	7.1
61.98829	4.2
69.03435	1.3
69.14780	8.1
69.17186	1.0
71.01403	6.1
72.99341	1.2
73.02060	1.4
73.02953	45.9
85.02961	3.4
87.00888	1.7
89.02464	3.2
95.01392	2.6
96.96028	6.2
97.06615	6.5
101.02464	6.9
101.21329	1.2
104.69109	1.1
107.01378	1.7
108.02143	1.4
109.02914	1.5
113.02438	3.5
123.00905	7.1
123.04507	1.3
123.86182	1.1
124.01685	3.2
125.02465	19.8
125.06088	32.3
126.06464	1.1
133.02939	1.2
137.02448	1.5
139.00374	1.8
139.04001	1.5
143.07155	100.0
144.07402	1.4
145.02936	2.1
155.10794	78.9
156.11133	1.6
159.04489	1.6
161.02385	2.8
161.04561	2.8
163.00401	2.7
163.04012	1.6
165.01984	1.9
166.99870	1.9
168.00706	1.8
169.01471	15.6
173.02533	2.1
173.96822	1.3
185.02463	2.2
187.00455	2.2
188.01228	1.3
189.01923	1.3
190.02754	1.4
190.99956	1.7
198.13194	1.2
199.09778	8.6
201.01923	2.4
202.02705	1.5
203.03461	2.3
214.02493	1.3
214.99808	2.4
216.00616	1.5
217.01553	1.8
217.10822	86.0
218.11208	2.6
221.06685	10.5
229.01448	5.9
230.02292	1.4
230.99500	1.6
231.02818	3.5
241.16571	1.3
242.99316	1.5
245.00972	2.7
247.02371	1.3
248.03238	1.5
249.04092	2.3
257.00940	3.2
258.01715	4.4
259.02252	1.5
259.11893	26.3
271.04755	1.9
273.00427	3.1
274.01120	3.6
275.01953	19.0
282.15842	1.2
285.00348	1.8
286.98227	2.9
287.01617	1.4
289.12994	9.5
299.99081	3.6
300.99951	29.0
302.00375	1.9
319.13974	21.9
333.02322	1.4
351.01163	1.6
379.16101	67.1
380.16318	2.8
385.37448	1.2
389.01642	3.7
389.10660	2.5
407.00061	1.8
421.17169	44.3
422.17340	2.4
425.01291	4.3
449.03601	8.7
450.04218	1.3
450.99667	9.8
451.18207	15.0
466.02905	7.2
467.03998	2.1
481.19238	34.1
509.05795	8.7
541.12054	11.5
541.21393	20.4
542.03461	2.5
542.12164	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	541.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08570	0.6
59.01384	13.5
60.01708	0.9
60.99311	15.1
61.98838	1.0
65.00320	0.6
67.01875	1.0
69.03442	0.9
69.49006	1.4
69.49403	1.3
71.01398	2.8
73.02957	1.0
78.06810	0.5
78.95932	0.6
79.01881	1.3
81.03452	0.9
83.01390	1.3
85.02971	1.6
86.00072	0.5
87.00882	1.7
88.00412	0.8
88.98810	98.5
89.02447	5.8
93.03503	0.7
95.01397	2.4
96.96026	0.7
97.02943	1.1
98.22572	0.7
101.02435	1.9
107.01397	4.2
111.00865	1.5
113.02454	2.1
119.03472	0.8
123.00891	17.2
123.04406	0.6
124.01683	10.6
125.02453	18.3
135.04512	2.2
136.98810	1.1
139.00348	2.6
140.01175	2.6
141.01938	3.0
144.20197	0.6
145.03006	0.6
151.00377	9.1
159.10289	1.0
161.02428	0.9
166.70674	0.5
168.00670	3.0
169.01436	26.1
175.91922	0.6
177.01956	1.0
181.01482	0.6
181.05054	0.6
195.53200	0.6
211.02512	1.4
229.01378	1.0
253.03754	0.5
257.00906	0.7
259.72171	0.5
271.04733	1.0
275.01938	1.9
299.99213	0.6
300.99850	3.2
313.05667	2.0
335.06299	0.6
392.21628	1.5
393.22018	0.8
406.04724	0.6
450.99521	1.8
466.03207	1.1
480.30377	1.3
481.31021	2.2
503.67563	0.6
541.22943	100.0
542.03503	1.1
542.23242	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	541.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01219	0.3
55.01867	0.3
55.29251	0.3
59.01382	2.7
66.61967	0.4
67.01883	0.4
68.83035	0.3
69.03455	0.5
69.40051	0.7
69.40455	0.8
71.01394	2.1
71.05000	0.4
73.02952	0.7
74.29523	0.3
79.01893	0.7
82.00567	0.5
83.01382	0.8
85.02949	1.3
86.00082	0.5
89.02443	0.4
95.01400	1.7
97.02969	0.8
101.02422	1.2
106.00575	0.4
106.97650	0.3
107.01396	3.3
111.00865	1.5
113.02460	0.8
123.00896	14.4
124.01677	11.5
125.02461	13.9
126.02834	0.3
126.31449	0.3
127.00430	0.5
136.98834	0.6
139.00375	2.3
139.07568	0.4
140.01160	1.4
141.01970	2.2
151.00381	10.8
153.01924	0.9
155.10779	1.3
163.04001	0.3
168.00645	3.2
169.01437	19.8
170.01813	0.4
177.04082	0.4
179.03537	0.3
181.04979	0.4
211.02492	1.5
227.16478	0.4
253.03581	0.4
271.04617	1.3
299.01978	0.3
302.18704	0.3
313.05533	1.7
341.37988	0.3
450.99466	0.7
460.19946	0.3
533.03143	0.3
541.22919	100.0
542.23254	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	541.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11676	0.9
57.03479	0.9
59.01385	100.0
60.01715	1.0
61.98837	63.4
66.53506	0.7
69.03456	0.8
69.20187	3.5
71.01387	2.4
77.50459	0.9
83.05057	0.9
85.02930	1.2
96.96005	2.0
97.02973	1.0
101.02467	1.3
107.01408	1.3
107.05045	1.0
120.02178	2.4
123.00900	4.8
123.04571	1.3
124.01672	3.2
125.02477	6.7
138.03241	6.3
141.01936	1.0
151.00403	3.2
151.04027	0.8
153.05594	56.0
154.05891	2.1
161.04575	1.1
168.00687	1.9
169.01433	10.5
182.64314	0.9
183.10266	12.4
192.09116	0.9
211.02483	5.7
239.64612	0.9
271.04697	4.9
300.99649	1.4
310.04782	0.8
329.90616	0.8
434.65939	0.8
466.03021	1.0
480.30478	1.9
481.31473	5.8
490.80444	0.9
541.23065	40.8
541.35553	1.7
542.23346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03458	0.4
59.01086	0.4
59.01384	6.5
60.58755	0.3
61.98835	2.6
66.91682	0.3
67.01875	0.5
69.03449	0.7
71.01390	2.3
72.99296	0.3
73.02949	0.5
73.93116	0.3
79.01892	1.1
81.03456	0.4
84.95150	0.4
85.02947	1.0
85.95468	0.3
87.04510	0.5
89.02435	1.2
90.44415	0.3
95.01394	1.3
97.02957	0.7
101.02460	1.6
107.01389	3.4
109.02963	0.6
111.00893	1.0
113.02457	1.1
123.00897	9.7
123.04542	0.4
124.01674	8.8
125.02461	16.4
125.06111	0.5
135.04526	2.3
136.98843	0.8
137.02454	0.5
139.00372	1.6
139.04028	0.4
140.01164	1.1
141.01968	1.8
150.03227	1.1
151.00374	6.5
153.09221	1.2
153.88625	0.4
155.10762	0.4
165.05595	2.0
167.03506	0.8
168.00653	4.7
169.01443	24.3
170.01752	0.9
179.07175	0.6
183.10248	0.5
195.06555	0.5
202.31093	0.4
211.02495	16.2
212.02864	0.4
241.03474	0.6
271.04608	14.8
272.04916	0.9
301.00180	0.4
313.05713	1.3
395.40121	0.4
425.01578	0.6
433.79926	0.4
479.19376	0.4
481.31622	1.0
541.22961	100.0
542.23376	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	541.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03448	0.7
59.01390	4.9
62.32462	0.4
63.36485	0.4
65.00328	0.6
66.71876	0.4
67.01902	0.8
69.03472	0.6
69.35144	1.7
71.01390	3.8
73.02962	0.8
75.00888	0.4
79.01897	1.1
81.03474	0.4
82.00583	0.4
83.01389	0.7
85.02958	1.7
87.00897	0.7
89.02452	2.2
95.01408	2.1
97.02966	0.9
98.22713	0.3
99.00907	0.5
101.02446	2.3
107.01406	3.7
108.02115	0.4
109.02981	0.5
110.00089	0.7
111.00912	2.0
111.04518	0.5
113.02462	1.5
119.03542	0.5
123.00906	15.5
124.01686	10.6
125.02463	16.6
127.00424	0.6
136.98807	0.5
137.02463	0.4
139.00383	2.2
139.04010	1.2
140.01166	2.4
141.01953	3.1
145.02953	0.5
146.64307	0.4
150.03253	1.3
151.00388	10.0
151.03934	0.7
153.01999	0.7
157.70993	0.4
162.03293	0.8
163.00443	0.4
163.04004	1.0
165.05623	0.6
166.99779	0.4
168.00658	5.8
168.04160	0.4
169.01443	22.4
170.01793	0.7
173.02441	0.5
177.01888	0.5
177.04114	0.7
177.05573	0.8
181.01462	0.4
181.05049	0.5
181.55658	0.3
183.03000	4.3
189.01979	0.4
197.04420	0.4
201.01961	0.5
203.19289	0.3
211.02496	2.8
220.64847	0.3
227.16434	0.4
249.04063	0.4
259.33896	0.4
271.04666	2.4
274.01297	0.4
275.02008	1.2
299.99158	0.7
300.99890	3.8
302.00336	1.1
313.05441	1.7
327.07202	1.8
450.99588	1.3
466.02261	0.4
479.12000	0.5
493.13486	2.0
494.14682	0.4
541.22980	100.0
542.23340	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	541.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90182	2.1
59.01385	100.0
67.31697	2.2
67.43278	2.2
112.27782	2.3
174.82677	2.5
197.11861	41.2
209.11855	30.1
300.99945	5.2
326.17120	2.2
384.74243	2.8
525.94476	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.6
59.23192	0.4
60.99311	13.6
61.01816	0.7
61.14485	0.5
61.98832	0.8
69.13195	2.5
71.01365	0.7
77.75072	0.5
78.98744	0.4
83.05011	0.7
85.02953	0.8
87.00885	1.7
87.04533	0.9
88.00410	0.6
88.98815	100.0
89.02449	9.9
95.80238	0.5
106.31466	0.4
107.01423	0.6
113.68955	0.5
122.34327	0.6
123.00920	1.7
124.01697	0.8
125.02480	2.2
137.79771	0.4
139.00401	0.5
149.02617	0.5
151.00377	0.9
153.01936	1.3
159.10313	1.2
168.04254	0.6
169.01477	3.0
223.52727	0.5
271.04620	0.5
300.99994	0.6
320.19217	0.6
392.21808	3.6
455.74359	0.7
480.30539	1.8
481.30917	6.6
541.22900	9.4
542.23291	0.7
558.29572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31781	0.2
55.01872	0.7
57.03444	0.6
59.01126	0.3
59.01387	5.0
61.98817	0.5
65.00327	0.5
67.01887	1.4
68.99818	0.3
69.03451	0.8
71.01392	4.3
71.05019	0.4
72.99298	0.5
73.02941	1.3
78.01098	0.7
79.01895	1.5
80.79229	0.3
81.03446	0.7
81.14640	0.3
82.00603	0.5
83.01370	1.2
83.05037	0.5
85.02963	2.3
86.00085	0.6
87.00885	0.5
87.04535	0.3
88.04010	0.5
89.02454	1.5
95.01405	3.1
95.05026	0.5
96.96036	0.3
97.02949	1.8
98.22604	0.8
99.00895	0.6
101.02444	2.4
107.01403	7.0
108.01704	0.5
109.02937	0.3
110.00145	0.3
111.00895	3.0
113.02445	1.8
117.03436	0.3
121.02934	0.3
123.00894	25.1
124.01711	14.4
125.02473	26.9
126.02789	2.5
127.00354	0.9
129.03412	0.3
131.05078	0.3
135.04527	2.8
136.98804	1.1
137.02461	0.6
139.00388	5.0
139.07648	0.5
140.01190	2.7
141.01964	4.1
142.02232	0.6
145.02948	0.9
146.08228	0.5
147.04509	0.4
149.02412	0.4
150.03163	0.8
151.00385	14.3
152.00735	1.8
153.01915	0.9
155.10791	1.9
156.10934	0.3
157.02977	0.3
159.04468	0.3
161.02415	0.3
163.03984	1.0
165.05537	0.7
166.05936	0.3
166.99831	1.1
168.00641	4.8
169.01440	32.5
170.01758	3.3
171.04488	0.3
173.02402	0.9
175.04057	0.6
175.09790	0.7
177.04007	0.7
179.03429	0.6
181.05009	0.4
185.02516	0.6
187.04039	0.5
189.01917	0.5
191.03476	0.4
195.06596	0.3
199.00323	0.4
200.01180	0.3
201.01918	1.1
203.03516	0.7
209.02663	0.3
209.04538	0.3
211.02458	2.6
211.04071	0.3
212.02890	0.5
213.01947	1.0
217.01392	0.5
218.10262	0.5
226.99806	0.3
227.16521	1.0
229.01433	1.7
230.02243	0.4
231.03000	0.7
237.01857	0.3
241.01472	0.4
242.02351	0.3
243.02965	0.6
245.00935	0.8
247.02338	0.6
253.03598	0.4
257.00931	1.2
258.01596	0.8
259.02487	0.9
265.71637	0.3
267.02914	0.4
269.00781	0.4
270.98828	0.3
271.02087	0.4
271.04837	1.5
273.00345	0.7
274.01184	0.7
275.01981	3.4
281.04556	0.4
283.02316	0.4
285.00378	1.1
295.02466	0.5
297.00174	0.3
298.98654	0.5
299.01950	2.5
299.99097	1.2
300.99954	6.5
301.03265	0.4
302.00327	0.7
311.02127	0.5
312.99835	0.5
313.05832	1.7
314.00464	0.8
315.01508	2.2
316.02023	0.4
323.02060	0.7
325.03348	0.4
328.02008	0.5
335.01837	0.5
337.03668	0.3
340.99356	0.4
343.01004	2.5
344.01260	0.4
349.03577	0.7
351.01398	0.4
353.03061	0.4
365.03110	0.6
376.99054	0.3
379.00751	0.4
381.02423	0.4
383.04196	0.7
399.03619	0.7
407.00467	0.4
422.99957	0.4
425.01563	2.0
426.02142	0.5
450.99402	7.0
451.99866	1.4
457.02438	0.8
461.97168	0.3
466.03000	2.2
466.52930	0.4
491.19165	0.3
493.19601	1.6
494.20151	0.5
495.29645	1.6
496.29462	0.3
502.02728	0.5
502.53348	0.3
511.03250	1.1
511.53668	0.3
533.02319	0.4
541.22919	100.0
542.23273	62.5
543.23999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
59.01387	8.3
60.01730	0.9
61.01805	1.4
61.98835	100.0
69.18066	0.7
69.18481	2.0
71.05040	0.5
78.26410	0.4
83.05039	5.0
84.05351	1.9
85.02966	1.3
89.02418	0.4
95.71629	0.3
98.22620	0.9
115.07670	0.6
133.82745	0.5
147.39232	0.4
159.10280	3.8
159.27783	0.5
160.10619	2.1
161.10878	1.5
169.01523	1.1
252.70905	0.4
301.00070	0.5
319.19388	0.6
320.19617	0.7
321.19849	1.2
322.19925	0.6
479.29807	0.5
480.30380	2.4
481.30869	3.7
482.31094	12.8
542.22437	3.1
552.52289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99854	0.3
54.65143	0.3
59.01388	1.6
61.98836	100.0
69.06837	0.7
69.07236	1.8
71.01400	0.5
73.67594	0.3
89.02505	0.6
96.96040	1.0
107.01421	0.4
123.00903	0.6
124.01724	0.5
125.02504	1.4
126.02793	0.6
140.62379	0.4
153.02008	0.5
163.04062	0.3
167.03615	0.7
168.00806	0.3
169.01465	1.6
170.01750	0.4
207.06631	0.4
290.37262	0.4
301.00085	1.4
311.08975	0.4
312.10315	0.4
318.18192	0.4
319.18518	0.4
327.12479	1.3
341.14072	0.4
416.61948	0.3
450.99640	0.7
482.31866	1.0
542.15350	2.0
542.21533	0.6
543.27039	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	542.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23190	0.3
59.01383	2.4
60.01705	0.4
61.98835	100.0
71.42309	0.3
73.02968	0.6
80.62130	0.3
80.70097	0.3
81.49734	0.3
84.42688	0.3
92.59003	0.3
95.01392	0.3
123.00907	1.3
124.01688	0.6
125.02462	2.2
136.01701	0.3
150.03227	0.6
151.00409	0.5
151.04031	0.5
165.05641	0.8
166.05980	0.3
169.01445	2.2
183.10291	0.4
195.06688	0.3
211.02539	0.7
212.02998	0.6
214.28731	0.3
271.04700	0.8
274.05386	0.4
300.99988	0.8
328.09561	0.3
450.99600	0.4
466.02625	0.4
482.32315	0.9
494.16010	0.5
542.23303	6.4
543.24579	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	542.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98837	100.0
69.14691	1.7
71.01392	0.3
79.24647	0.2
89.02516	0.3
96.96033	0.8
107.01387	0.3
123.00933	0.4
125.02460	1.7
153.01527	0.3
167.03510	0.4
169.01448	2.8
170.01797	0.3
300.99982	1.7
311.97302	0.3
355.66669	0.3
450.99704	0.6
466.03156	0.7
482.32068	0.7
509.28735	0.3
542.23157	0.6
543.26416	0.7
550.18073	0.3
561.47559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	14.5
80.99184	1.2
81.00721	1.2
84.39989	1.2
88.98816	77.2
95.01431	1.4
98.21901	3.5
107.01414	3.3
123.00903	10.2
124.01677	18.7
125.02466	21.9
139.04048	5.4
151.00389	4.6
161.81960	1.2
168.00671	5.9
169.01459	30.5
177.13329	1.3
183.03078	3.3
189.19479	1.3
256.73703	1.3
258.49133	1.4
270.31076	1.1
275.01999	3.3
293.30811	1.4
301.00064	7.2
302.00116	1.8
309.01035	1.2
313.05530	6.7
450.99408	2.4
452.00006	2.2
453.10422	100.0
454.10693	4.5
466.53278	2.6
467.03030	1.9
559.19196	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	2.1
59.01390	26.9
61.98835	14.4
69.03442	2.3
71.01381	10.8
73.02931	4.5
78.91879	3.7
80.96491	1.6
83.01369	2.4
85.02937	4.6
87.00867	1.6
89.02448	4.4
93.03437	2.1
95.01387	3.9
96.96014	6.8
97.02961	1.5
101.02453	7.3
107.01408	11.9
108.02217	8.5
109.02963	100.0
110.03333	2.0
111.00872	2.0
113.02441	4.8
123.00894	19.8
123.04560	5.3
124.01687	14.2
125.02464	68.4
134.03731	3.1
135.04541	85.9
136.98811	1.6
137.02382	1.7
139.00412	3.3
140.01181	3.2
141.01933	2.3
151.00389	14.3
153.05470	1.9
154.21269	1.4
166.05106	2.8
168.00635	5.6
169.01439	91.7
179.03473	3.1
185.06091	43.2
211.02536	4.7
212.29643	1.5
229.05075	85.9
230.05342	4.4
271.04404	2.4
300.99673	3.9
302.00363	2.8
313.05682	35.3
391.10358	18.4
480.11896	4.1
499.12152	3.7
543.11499	99.5
543.24341	54.6
544.12134	10.4
544.25226	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	543.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15076	0.5
57.43608	0.6
59.01386	4.3
60.03726	0.7
61.44905	0.6
61.98834	12.3
65.00330	5.6
65.25491	0.7
67.01879	0.7
68.59498	0.6
69.03461	1.2
71.01389	4.2
73.02921	1.0
76.70348	0.7
78.91891	3.1
81.03403	0.8
83.01392	4.3
85.02952	1.2
89.02432	1.0
95.01393	0.8
96.96012	1.9
97.47340	0.8
101.02438	1.6
107.01402	11.2
107.05031	0.7
109.02968	0.8
113.02431	1.0
117.78726	0.7
119.05064	4.1
121.02950	1.1
123.00895	6.4
123.04548	1.3
124.01679	4.1
125.02463	43.2
126.02782	1.1
135.04533	1.6
137.02473	0.9
139.00400	1.5
141.01962	1.7
143.05019	5.2
145.02962	13.8
150.03241	1.0
151.00388	16.9
151.04001	2.0
161.06059	4.9
165.05589	1.8
168.00655	2.2
169.01445	60.3
181.05069	0.8
185.06107	5.9
187.04004	1.0
211.02446	4.2
229.05072	53.4
230.05428	1.5
241.03514	1.5
253.05049	2.8
271.04517	4.3
275.01953	1.1
275.48724	0.6
287.09277	2.2
299.99179	2.7
300.99820	1.7
313.05698	28.1
314.05896	1.6
315.01678	1.3
321.20737	3.8
461.07001	2.0
543.11493	100.0
544.11920	7.1
566.39874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
61.98835	5.0
69.03461	2.2
71.01381	3.4
71.41422	0.5
73.02948	1.0
75.62251	0.5
80.91692	0.8
81.03467	1.8
81.72374	0.6
85.02944	1.2
87.91925	0.5
89.02448	1.3
96.96033	2.0
97.02974	2.7
101.02465	1.8
105.03492	1.8
107.01405	16.3
107.05044	0.8
108.02194	0.5
109.02988	0.6
109.06604	8.4
111.00927	0.6
111.08141	0.6
113.02477	1.6
123.00897	2.4
123.04501	0.6
124.01670	2.4
125.02466	78.7
126.02815	1.3
127.07679	6.8
132.02252	0.6
133.02989	0.9
135.04543	0.7
140.01073	0.8
149.02550	0.7
151.00354	0.8
151.03958	0.7
153.05606	2.0
155.10753	0.9
160.01715	0.7
161.02458	12.1
168.00679	1.2
169.01443	70.0
170.01776	1.5
173.02432	0.5
177.01958	1.1
193.01431	3.0
195.06664	0.6
200.04892	1.6
201.05557	0.7
205.01422	8.9
212.04808	0.7
215.07161	0.8
227.16525	0.8
228.04321	3.1
240.04326	1.5
245.00821	0.5
253.05362	0.7
255.06729	1.8
256.03787	4.3
257.04401	1.1
262.04718	0.5
267.03061	0.7
268.03506	0.8
269.04828	0.6
271.06128	1.9
272.03342	0.5
273.00522	0.6
273.04138	0.6
275.01978	0.9
281.04651	2.1
284.03262	6.1
287.05640	1.0
288.06464	1.7
296.06845	0.7
299.05673	16.6
299.99075	0.8
300.99902	3.1
301.99860	1.5
303.08881	1.4
314.08005	5.5
317.10406	0.7
329.10349	5.5
331.04349	0.8
347.11539	1.1
373.09326	8.8
391.10400	11.4
466.53177	1.5
467.90314	0.6
528.09473	1.2
543.11523	100.0
543.28571	12.5
544.11932	6.8
544.27631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71894	3.7
58.00597	4.5
59.01382	36.1
70.82838	3.7
71.01376	30.4
71.39977	4.7
72.86673	3.7
73.02953	4.9
80.05241	3.8
83.01478	4.5
85.02979	5.8
89.02460	53.5
95.01432	3.6
96.96024	6.4
97.03005	7.6
99.00878	8.5
101.02434	7.2
113.02450	6.8
115.04016	7.1
118.40103	3.7
123.00915	4.9
125.02473	39.0
137.02425	4.0
149.04573	11.1
150.03246	15.3
165.05577	12.5
169.01472	11.9
189.49084	3.9
191.05557	6.2
195.06659	16.9
201.01936	5.7
204.39888	4.7
229.01372	7.7
233.06636	17.9
247.02504	5.6
249.03899	4.2
257.00824	6.6
275.02121	19.3
276.02325	6.9
293.08820	100.0
299.99222	7.7
300.99908	59.7
302.00134	19.7
385.64908	4.2
450.99438	17.0
452.00104	7.6
459.15198	47.5
466.52936	20.4
467.03308	6.0
471.14871	6.8
489.16296	13.1
494.96030	4.1
507.17236	53.9
543.15240	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	543.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21426	0.4
56.56733	0.3
57.03422	0.4
59.01386	4.8
61.98821	0.7
65.00323	0.3
67.01891	0.9
67.25611	0.3
69.03466	0.6
69.24664	1.5
71.01383	2.8
72.99312	1.1
73.02946	0.4
73.34965	0.4
77.13677	0.3
78.01091	0.3
79.01893	0.9
81.03468	0.5
83.01377	0.6
83.89476	0.3
85.02955	1.1
88.98798	2.8
89.02460	1.2
92.05016	0.3
95.01408	1.9
96.96025	0.7
97.02966	0.9
101.02444	1.4
107.01395	3.4
111.00858	1.6
113.02421	1.3
116.11558	0.3
119.03452	0.4
121.02997	0.4
123.00896	15.2
124.01681	9.3
125.02460	14.6
125.03223	0.2
125.03417	0.3
127.00301	0.4
135.04568	0.5
136.98788	0.8
139.00388	3.2
140.01186	1.9
141.01961	2.7
146.64522	0.4
151.00385	10.4
151.04022	0.4
153.01979	0.9
161.02390	0.5
163.04027	0.7
166.99896	0.7
168.00633	3.3
169.01437	20.3
179.03529	0.8
181.01459	0.4
181.05074	0.6
201.01883	0.4
203.03401	0.4
209.04581	0.3
211.02486	1.7
229.01344	0.6
233.27652	0.4
244.43771	0.4
257.01065	0.5
271.04630	2.4
273.00543	0.4
274.00937	0.4
275.02145	1.5
276.02319	0.6
299.01907	0.4
299.99194	0.4
300.02292	0.5
300.99872	2.8
302.00385	0.9
313.05649	1.6
335.02344	0.3
372.91245	0.4
425.01389	0.4
441.85202	0.5
450.99490	1.0
451.99518	0.8
457.24469	0.3
466.53055	0.4
467.03711	0.6
533.53015	0.4
542.53357	1.1
543.24500	100.0
544.17230	0.5
544.24872	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	543.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	24.5
69.13844	100.0
104.56705	16.1
151.71034	15.6
248.05046	18.3
267.03192	16.1
300.99829	18.9
331.01672	17.2
348.67300	17.4
464.32440	23.6
515.21399	19.9
543.34247	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	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38773	2.4
59.01388	27.1
60.51224	2.6
61.98833	2.7
65.80301	2.5
68.29110	2.2
70.35427	6.2
70.35787	2.6
71.01391	12.7
73.02927	4.3
89.02444	8.6
93.53110	2.5
97.06615	4.6
98.22545	2.9
99.80127	2.5
101.02431	13.9
117.73782	2.3
119.03515	3.8
121.06661	2.8
125.09609	2.5
135.08228	3.7
161.04570	6.4
163.11311	6.2
169.12390	5.8
171.10309	4.6
185.11839	7.6
191.14456	5.3
203.97000	2.4
207.10243	4.1
209.11864	31.1
213.60907	3.0
235.08247	3.9
237.11314	11.2
245.19084	16.6
253.09311	38.4
263.20029	2.8
289.18137	80.0
289.21298	5.5
290.18381	4.0
300.99716	3.4
307.19177	100.0
308.19662	4.6
391.96591	2.8
424.52112	2.9
543.29181	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64654	2.2
59.01342	2.1
79.15762	2.0
98.22714	4.2
114.45151	2.1
134.41899	2.1
229.29288	2.4
242.63481	2.6
300.99741	2.8
337.99652	2.2
403.95969	2.5
472.21738	2.9
485.32770	57.1
486.33023	3.8
543.28461	100.0
544.28906	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	544.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.98835	100.0
70.28346	1.1
70.28673	0.9
74.87183	0.6
83.68153	0.6
105.72794	0.6
145.01187	0.6
197.11935	0.7
228.45808	0.6
230.47621	0.6
293.25705	0.6
322.83426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41703	26.3
51.77758	23.9
59.01388	61.8
61.98841	39.4
70.83949	21.2
71.07542	20.9
87.00912	38.3
88.24719	23.2
89.02453	27.5
97.78811	21.6
99.26740	22.5
108.39204	22.2
123.04539	25.9
157.79329	22.4
195.42667	26.4
209.11816	47.3
210.12167	40.4
254.09578	25.2
282.41931	24.0
290.18600	28.1
308.19507	100.0
387.42093	23.5
446.20566	24.9
476.53696	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	545.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68315	0.2
59.01379	0.5
61.98829	0.5
66.67210	0.2
71.01390	0.3
71.53648	0.2
79.95739	3.3
80.07721	0.2
85.02975	0.3
92.48801	0.2
96.96024	100.0
97.95977	0.3
101.02447	0.3
108.83482	0.2
125.02441	0.6
149.02473	0.3
150.03246	0.9
153.05576	0.6
154.12000	0.2
165.01712	0.2
165.05571	0.7
169.01425	1.0
176.01266	0.3
187.00217	0.2
193.01550	0.5
195.06647	0.4
242.99336	0.3
245.00948	0.7
259.99661	1.7
270.98846	0.6
298.98380	0.5
299.99146	4.3
300.99905	1.4
343.12030	0.3
356.87067	0.2
356.95667	0.8
371.94434	0.7
398.96762	1.7
447.05716	2.9
469.08951	0.5
507.07968	0.6
544.24084	0.5
545.10516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82885	36.0
63.85747	32.1
70.91807	43.1
86.41840	33.6
96.95998	54.8
108.89079	31.3
113.87399	31.6
123.24610	34.8
125.02490	64.7
149.06084	44.3
169.01463	44.1
177.05481	39.6
193.08347	39.1
239.05605	100.0
269.18079	44.4
297.92206	33.8
300.99792	88.2
440.99020	44.0
506.55508	46.4
547.88275	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	0.7
71.01366	0.6
71.05029	1.4
71.42318	0.8
73.73263	0.7
74.38768	0.5
81.03468	1.2
81.65826	0.6
82.02993	4.4
83.01403	1.9
84.04539	0.8
93.03462	2.0
95.01392	1.4
96.04561	1.5
96.96033	0.8
97.02959	3.4
98.06109	4.2
100.03449	0.6
105.03473	1.4
107.05044	1.5
108.02174	1.1
109.02964	33.0
109.04068	1.1
110.03327	0.9
115.44354	0.6
116.92881	0.6
119.05001	0.8
121.02961	2.2
122.03768	0.8
123.00894	1.1
123.04539	11.4
125.02470	4.7
127.05144	4.8
128.03561	19.7
133.02924	1.2
135.04520	1.7
137.02460	20.7
139.04027	11.7
145.02866	0.7
145.06206	8.1
147.04549	3.5
149.01260	1.2
149.02464	24.9
150.03185	1.7
151.04015	18.9
154.02562	0.6
161.01250	0.9
161.02473	6.0
162.03238	1.1
163.04060	3.5
163.08739	1.0
169.01431	3.9
169.22377	0.7
173.06055	0.9
175.04066	1.4
176.01152	4.5
177.01926	5.1
177.94322	0.6
178.02756	4.6
179.03531	3.3
187.07593	0.7
191.03525	7.8
192.04286	2.0
197.06073	3.5
203.03516	1.7
211.07819	0.6
213.03815	0.9
213.05627	9.1
213.08812	1.8
215.07144	37.2
216.07483	1.7
233.08154	0.9
239.07147	0.9
243.09882	44.5
244.10165	1.5
257.08176	11.0
273.00458	0.8
275.02017	2.5
276.02039	0.7
283.06122	1.3
301.00198	4.1
301.07202	100.0
302.00183	1.1
302.07587	5.0
323.98483	0.8
483.11557	3.3
493.91525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30324	8.1
71.05038	2.5
82.03001	2.9
83.01408	3.0
97.02986	3.1
98.06140	3.3
109.02966	36.0
109.04143	2.3
121.02975	4.1
122.03779	2.4
123.04533	13.1
125.02457	3.1
127.05181	3.9
128.03564	19.8
135.04549	4.2
137.02451	20.0
139.04012	12.3
145.06207	6.3
147.04546	3.2
149.02461	24.5
150.03119	2.1
151.04039	18.4
161.02428	8.8
163.04114	3.2
169.01408	1.8
176.01144	4.7
177.01913	7.3
178.02721	7.1
179.03513	3.1
191.03508	10.4
192.04356	1.8
197.06158	3.4
203.03424	1.9
213.05579	7.9
215.07135	46.9
220.40034	1.5
243.09863	38.1
257.08267	10.7
283.06207	1.7
301.00247	3.4
301.07196	100.0
302.07538	3.2
329.42932	1.6
335.31400	1.4
523.17719	1.8
553.22357	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
59.19872	0.7
60.24522	0.8
61.98837	1.5
69.39742	3.2
71.01385	2.6
79.60635	0.7
82.95418	2.2
83.01391	0.9
84.40929	0.7
87.06169	0.8
89.02435	1.5
98.21880	1.5
99.92590	1.0
107.01375	3.4
107.16364	0.7
111.00864	2.8
112.46931	0.8
115.92098	2.5
121.03014	1.5
123.00893	3.6
124.01663	13.0
125.02468	26.9
126.02808	0.8
127.00373	1.1
136.98790	1.4
139.00392	2.6
140.01176	2.5
141.01949	0.9
142.94334	1.0
151.00368	1.9
162.40602	0.8
165.01978	1.4
167.03487	2.3
168.00676	15.9
169.01462	38.5
170.01773	1.1
200.63991	1.0
211.02502	75.1
212.02795	1.9
213.90221	0.8
227.49617	0.8
241.03606	1.8
259.43933	0.7
271.04614	100.0
272.04944	3.0
331.06784	13.6
545.04059	2.5
545.20325	51.9
545.28223	2.1
546.20770	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	545.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.88378	5.3
61.98831	17.0
67.25140	4.8
69.08264	39.5
71.01376	29.1
71.13217	4.8
73.02959	24.2
75.05235	5.2
84.95097	4.9
85.02967	10.5
87.00851	6.7
87.04523	38.9
87.18062	4.5
89.02435	13.6
96.96011	15.4
99.00886	11.7
101.02438	15.7
113.02428	9.6
116.92826	7.5
125.02438	13.1
135.04533	9.4
161.04565	6.0
169.01421	14.5
176.50952	4.9
178.55771	4.6
181.12363	11.2
190.07436	10.8
199.13359	8.2
201.11304	12.3
207.10324	10.2
209.11871	17.2
225.11308	13.7
232.08594	7.5
300.99747	5.5
309.20795	8.1
317.15833	8.2
363.73456	5.5
382.17758	11.6
501.26517	7.6
509.26001	50.7
527.28540	14.9
545.23151	25.3
545.31445	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81689	28.3
59.01379	100.0
68.65598	28.3
71.05549	29.2
72.74289	29.3
95.56954	42.8
109.13226	27.4
112.25041	32.6
136.24672	32.6
164.44090	30.2
170.64508	30.3
240.10094	32.3
307.04623	28.7
309.20673	35.0
310.56622	34.7
431.83121	34.6
522.10175	38.6
545.23041	55.2
545.34259	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34488	1.4
53.17221	1.3
54.27039	1.5
57.03436	2.1
59.01129	1.6
59.01389	20.6
61.98829	4.4
69.03452	1.6
71.01392	20.2
73.02953	11.3
75.00871	2.0
78.95917	2.6
83.01392	4.1
85.02956	9.4
87.00848	2.2
89.02464	10.6
91.81362	1.3
95.01397	1.7
96.95492	1.8
96.96022	11.0
96.96997	7.0
96.97520	1.7
97.02930	2.9
99.00877	6.6
101.02442	11.9
113.02480	7.4
118.06779	1.6
123.00917	2.1
125.02427	3.6
129.86205	1.5
138.09277	3.7
139.91852	1.4
142.64783	1.5
160.77663	1.4
161.04492	2.2
198.95706	1.4
215.32727	1.5
235.17168	2.6
327.12723	1.7
362.18582	8.2
413.21899	2.5
545.26117	100.0
546.26215	6.7
561.99182	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51719	0.2
55.00236	0.3
57.03429	0.4
59.01379	2.2
67.05545	0.4
71.01395	2.3
74.22057	0.3
77.40349	0.3
79.39909	0.3
96.95982	0.3
98.21857	0.5
98.32696	0.3
109.06593	1.2
111.08163	0.6
112.86631	0.3
121.06612	0.5
123.00898	0.4
125.02499	0.5
127.07665	7.1
137.56085	0.3
139.07664	6.6
143.95766	0.2
147.93677	0.3
153.09229	0.4
157.08714	100.0
158.09094	1.7
161.04608	0.4
169.01379	0.3
225.14915	0.7
300.63678	0.3
367.25842	0.3
387.20203	0.4
408.05350	0.3
409.28885	0.3
471.39230	0.4
485.17108	0.5
545.24164	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.2
58.00605	1.3
59.01384	26.6
61.98823	4.4
69.03475	1.8
71.01388	12.0
71.43821	0.9
73.02947	2.7
76.18138	0.8
82.95421	16.5
83.01382	1.6
83.05032	1.4
84.95131	12.7
85.02969	3.2
87.00867	2.1
89.02454	13.5
95.01378	1.0
99.04551	6.1
101.02453	14.2
111.08167	18.6
113.02447	5.5
119.03525	3.1
119.09798	0.9
125.02457	4.2
131.03510	0.9
133.68748	0.7
143.03482	1.3
151.11307	0.8
153.09070	0.8
153.12830	1.0
154.34370	0.8
161.04578	6.5
169.12338	6.7
179.05630	2.1
181.12361	1.5
183.13904	1.8
197.11844	100.0
198.12192	2.3
199.13397	6.4
209.11887	1.2
210.54497	0.8
211.13425	10.0
227.13120	1.9
248.37437	1.0
253.09299	47.8
263.20160	5.0
265.18054	3.2
273.18646	1.4
289.42358	0.8
291.16461	1.9
291.19681	31.1
292.19925	1.1
300.99933	0.9
309.20743	96.8
310.21030	2.7
311.68906	0.9
327.21732	2.9
433.20822	1.0
545.29449	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
71.83956	1.1
76.97948	1.2
85.50018	1.3
87.00201	1.2
165.92282	1.3
487.34351	61.8
488.34531	5.1
545.30170	100.0
546.30719	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	545.349
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01384	100.0
60.01716	0.3
69.19238	1.4
69.19637	0.6
73.02934	0.4
76.69347	0.3
96.96028	0.4
98.22617	0.6
165.09526	0.3
183.74474	0.3
187.08525	0.3
209.11913	0.4
267.50809	0.3
309.20914	0.6
485.32834	9.5
486.33258	0.5
504.52634	0.3
545.34882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
60.02034	1.3
61.98845	9.4
70.78343	2.5
83.01418	1.3
87.00901	1.9
107.01410	5.2
109.02972	6.6
110.03321	1.8
111.00905	4.5
113.02543	2.2
123.00898	5.9
124.01689	13.2
125.02467	30.9
128.03529	3.6
136.98877	2.3
137.02457	4.0
139.00452	7.3
139.04048	2.6
140.01152	5.7
145.06349	1.7
149.02463	6.0
150.02875	2.8
151.00389	4.6
151.04019	3.0
153.01958	5.8
154.02786	3.9
155.03517	3.1
161.02373	2.2
167.03496	1.9
168.00626	11.3
169.01443	42.8
169.05142	2.3
183.03041	3.2
203.03598	1.6
215.07152	4.9
216.07527	3.9
241.03622	1.8
243.09732	7.7
244.10243	3.5
257.08130	1.6
297.06149	4.0
300.99933	5.3
301.04105	1.9
301.07242	13.3
302.07565	15.7
313.05585	8.4
419.66748	1.7
483.11533	100.0
484.11816	3.4
557.30896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36012	1.0
59.01376	1.5
61.98837	10.9
69.44839	5.7
69.68530	1.0
71.01395	2.2
85.02982	1.2
95.01399	1.9
97.67632	1.1
101.02449	1.5
107.01406	4.5
111.00931	1.8
113.02451	1.4
123.00906	12.2
124.01671	11.2
125.02475	20.9
128.03568	2.1
139.00391	14.7
139.04028	1.6
140.01195	7.9
141.01923	3.7
151.00414	5.3
153.02042	2.4
154.02724	10.9
155.03526	4.3
168.00638	6.1
169.01450	32.0
169.05084	5.4
172.14627	1.4
183.03011	8.8
205.63115	1.1
216.93814	1.1
275.01965	1.8
285.06284	1.6
301.00116	1.8
313.05646	5.5
327.07242	2.7
432.41772	1.2
483.11472	100.0
484.11792	5.5
511.14624	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	546.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
61.98839	9.9
65.75304	0.8
70.44295	1.1
71.01395	2.2
77.40204	0.9
80.51361	0.8
85.02946	1.2
89.02439	1.7
91.83365	0.9
97.02985	1.7
101.02450	2.8
107.01399	1.9
113.02478	1.8
123.00873	10.5
124.01686	6.9
125.02464	14.0
139.00348	1.8
140.01173	1.5
141.01988	1.9
141.65407	1.1
151.00388	5.9
168.00661	2.7
169.01440	16.5
177.04059	2.7
211.02391	1.9
247.32382	0.9
271.04645	2.3
297.07407	1.2
313.05557	1.5
329.05164	1.1
343.00531	0.9
353.06735	2.4
483.18781	100.0
484.19043	7.4
546.27386	1.0
547.14270	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	546.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
59.01382	11.4
61.98830	16.0
69.03459	5.4
69.11684	4.5
71.01387	35.9
71.05016	6.9
72.00918	0.8
73.02941	2.4
80.54433	0.8
83.01398	1.2
85.02947	2.5
87.00872	1.1
88.04049	6.7
88.98839	0.8
89.02457	5.4
90.32056	0.6
93.03465	0.7
95.01430	0.8
96.95978	1.3
99.00883	0.7
99.04517	1.3
101.02443	6.4
101.06108	0.7
107.01378	1.0
111.08121	0.7
113.02449	2.6
116.03516	0.9
116.07134	0.9
119.03514	1.1
123.00889	1.2
124.01695	1.4
125.02454	2.1
128.07161	2.7
129.05600	1.0
135.04547	0.9
135.72255	0.7
136.97156	0.6
139.11304	9.9
146.08241	48.8
151.00298	0.9
155.07181	0.9
161.04509	1.9
168.00659	3.6
169.01361	2.8
176.36710	0.7
179.03549	1.1
183.10280	14.2
197.11934	1.0
218.10358	1.3
250.15720	0.7
290.12411	1.9
300.99933	0.8
308.13528	5.2
312.99951	1.0
360.76447	0.8
362.14569	3.6
380.15643	25.0
381.15790	1.3
384.83270	0.8
447.07343	0.9
459.56061	0.8
483.18738	4.6
484.18665	0.9
485.28726	1.1
503.06256	6.0
508.22772	1.3
546.25586	100.0
547.11969	0.8
547.26257	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	546.308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44480	13.9
69.13317	100.0
73.03511	12.2
86.05715	16.6
98.22639	25.1
280.24420	16.0
306.42514	17.1
392.62024	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	546.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20280	14.6
54.42849	16.4
59.01375	27.7
61.98840	100.0
68.12070	16.7
86.87399	14.5
96.79703	15.5
96.96010	30.8
110.90631	15.2
112.19968	16.6
147.84616	15.4
152.03539	44.7
224.31079	19.5
230.82523	16.0
243.17514	16.6
259.46588	17.5
278.89130	16.9
503.19434	35.5
535.64349	17.5
546.34479	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70395	25.4
70.71375	36.9
76.97447	25.2
87.12373	26.2
325.96017	25.2
436.36530	29.2
503.33801	100.0
546.35321	53.3
558.05603	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	547.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
58.97723	0.7
59.01089	1.1
59.01386	21.2
59.30761	0.8
67.01884	0.7
70.96327	1.2
71.01387	20.6
72.99298	1.8
73.02946	2.2
76.65356	0.9
83.01401	7.3
85.02954	2.4
87.00887	30.6
89.02454	4.7
96.96021	3.3
99.00914	0.9
101.02454	1.3
104.87138	0.9
111.00884	7.1
113.02444	3.8
115.00387	56.1
123.00862	1.0
125.02416	1.6
127.00362	1.3
139.00397	14.0
149.04546	1.8
157.01445	29.1
169.01340	1.4
169.56142	0.8
171.46626	1.0
175.02496	100.0
176.02827	1.0
267.11356	1.1
270.99002	0.9
275.01852	0.9
280.08551	2.8
295.10849	6.5
297.12247	0.9
300.99823	2.6
309.12546	1.3
325.12103	1.5
327.13477	5.2
339.09869	2.0
353.11511	1.7
371.12445	9.5
391.13165	1.3
399.12042	1.3
401.13425	2.3
429.12985	3.7
431.15131	1.8
435.12073	1.8
443.14246	0.9
452.70477	1.0
467.14624	5.5
485.15790	6.7
487.13547	3.0
511.13330	1.8
547.08356	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	547.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.03439	1.0
59.01383	17.2
64.84290	0.5
69.52495	1.1
69.52882	1.4
71.01386	17.6
72.99313	1.4
73.02947	1.9
83.01397	6.3
85.02962	2.0
87.00883	35.4
89.02457	1.1
90.56725	0.6
96.96028	2.4
99.00861	0.9
101.02438	1.6
107.84610	0.7
111.00895	7.6
113.02484	2.2
115.00383	56.6
122.06110	0.8
125.02498	1.1
127.00369	1.8
135.04492	0.6
139.00386	15.3
144.04602	0.6
157.01437	28.0
157.08727	6.3
158.09042	2.3
159.09268	0.8
169.01324	0.9
175.02492	100.0
176.02847	1.1
239.37601	0.7
251.07903	0.8
252.08942	0.7
267.11383	1.2
275.01804	0.9
278.91443	0.6
279.07751	0.9
280.08585	3.2
284.20554	0.6
295.10938	8.3
297.12488	1.3
309.12546	1.4
325.11966	1.9
327.10175	0.7
327.13409	3.6
335.10245	0.7
339.09952	4.6
353.11465	1.9
355.13199	0.8
369.11230	0.6
371.12527	9.5
391.13235	0.8
397.10461	1.7
399.11874	1.2
401.13568	2.0
413.13367	0.6
417.10538	0.6
429.12854	5.9
429.17654	0.6
431.14563	1.0
435.11902	2.4
443.14526	0.7
453.12671	0.7
467.14664	8.0
485.15698	6.6
486.15683	0.7
487.13461	3.1
511.13458	0.8
547.16577	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	547.2037
Annotation	Kunzeaphlogin F
Peak:m/z	Relative Intensity
54.96104	1.2
55.01890	1.4
57.03444	2.7
59.01384	52.4
61.98821	1.4
62.29052	1.2
62.71894	1.2
69.03469	3.7
69.16870	6.0
69.17282	2.6
71.01390	28.2
72.99317	2.3
73.02945	16.0
75.00885	3.8
83.01401	4.7
83.05064	1.3
85.02952	17.6
86.03782	1.8
87.00883	4.8
87.04510	10.2
89.02466	7.5
95.01421	3.4
97.02972	27.4
98.21883	2.6
99.00902	1.9
99.04540	1.9
101.02453	41.7
107.08674	2.4
111.00928	2.2
111.04537	1.7
113.02457	11.4
119.03513	1.8
124.05279	1.6
125.02448	17.2
131.03552	3.1
135.08224	1.4
135.11826	21.2
136.12148	1.2
144.11711	1.3
147.11813	7.2
149.04582	1.8
159.11810	9.3
161.04532	7.6
161.09726	5.1
163.11313	3.3
165.12885	11.3
169.01434	3.1
175.11325	4.6
177.12866	8.7
179.10786	100.0
180.11122	2.4
182.77870	1.3
193.12338	43.1
203.10809	7.1
221.06694	54.0
221.11841	30.2
223.09756	26.4
224.10165	1.2
242.06674	1.6
251.12947	5.9
265.10831	34.9
281.14053	2.4
295.11890	37.5
296.12091	1.4
325.12943	99.9
326.13239	2.3
367.13681	1.9
383.17065	3.8
385.15045	84.1
386.15472	2.5
427.16080	64.6
427.21878	3.1
428.16409	3.7
457.17426	2.0
476.19540	1.5
484.18994	11.8
487.18149	13.7
533.70282	1.4
545.78455	1.7
547.20306	3.7
547.27783	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	547.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
55.43953	1.4
56.06876	1.3
57.03466	2.3
59.01379	10.4
61.98837	2.7
63.06266	1.5
63.47529	1.6
67.01881	1.5
71.01387	26.6
71.05044	1.5
73.02946	9.6
81.03458	1.6
83.01395	4.8
83.31725	1.9
85.02973	12.9
87.00877	1.9
89.02439	4.3
93.03463	2.9
93.07126	1.6
95.01407	4.4
96.96002	7.6
97.02978	2.3
98.95603	2.7
99.00871	4.3
101.02446	14.3
108.05835	1.4
109.02972	3.7
110.38208	1.4
111.00906	2.0
111.04538	2.7
113.02467	12.3
113.06136	3.0
115.35992	1.4
119.08678	4.0
121.02959	5.7
121.06578	2.2
123.00900	46.3
124.01675	100.0
125.02525	2.6
125.06088	10.1
135.08205	3.0
136.05345	3.4
137.02499	3.0
137.06009	1.8
138.03236	22.5
138.06898	3.6
139.00374	3.0
139.04027	73.9
139.07658	6.9
140.04350	1.8
143.03474	1.6
145.06647	3.0
149.02477	1.7
149.06094	2.8
151.04010	2.1
151.07637	14.9
152.04758	2.7
152.08420	4.8
153.05606	2.4
153.09225	4.8
154.22131	1.5
159.03006	3.5
159.11745	1.5
161.04584	19.6
161.09746	4.1
162.04895	1.6
163.07668	5.0
166.02693	2.7
169.01474	3.2
173.04758	1.4
173.06284	1.4
176.02647	1.4
181.01436	3.8
181.05119	3.4
182.02219	1.6
185.09665	1.8
186.10571	1.7
187.11247	2.1
189.05487	3.5
189.09204	5.2
193.05063	1.6
194.92728	1.8
196.03752	1.8
196.31442	1.6
197.04559	11.8
201.12865	37.7
203.10704	10.0
204.11551	24.4
211.06229	1.8
219.13907	69.1
220.14212	1.6
227.10799	1.9
230.09492	5.9
239.05620	20.4
241.81052	1.4
245.11845	36.1
263.12891	82.2
264.13297	1.9
268.59534	1.4
269.06650	3.5
299.07733	7.0
301.09357	18.9
353.05588	1.4
389.16205	1.5
407.17197	6.1
511.21667	5.2
547.20575	11.0
547.28949	11.8
548.22351	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	547.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91606	1.0
53.88439	1.2
55.01870	3.3
57.03449	3.1
58.96279	1.1
59.01391	8.1
61.98826	1.8
69.03454	1.0
69.32255	2.6
69.32667	4.8
70.24181	1.0
70.51196	1.1
71.01386	34.4
71.05035	1.1
73.02944	11.9
79.05509	1.2
81.03458	1.5
83.01386	4.0
85.02958	15.6
87.00887	3.3
89.02440	1.3
93.03457	4.4
93.07098	3.1
95.01407	3.2
97.02957	3.8
99.00896	4.3
101.02441	17.9
104.07328	1.1
105.07112	1.2
107.01381	2.8
107.05046	1.6
107.82510	1.3
108.05799	1.1
109.02978	2.6
109.06541	1.1
110.48613	1.1
111.04517	4.8
113.02454	17.3
113.06102	1.6
119.08650	3.8
121.02962	1.3
121.06604	3.0
122.03752	2.9
123.00900	26.0
123.08180	1.7
124.01672	92.1
125.02496	13.9
125.06101	11.6
126.02760	2.9
135.08128	1.5
136.05310	5.4
137.02451	4.6
137.06099	2.2
137.09778	1.7
138.03275	12.2
138.06914	3.3
139.00388	1.3
139.04021	54.9
139.07648	8.5
143.03496	1.9
145.06581	3.1
149.06105	1.8
151.07661	17.8
152.04886	1.5
152.08426	3.8
153.09190	3.5
159.02994	3.5
159.11813	3.7
161.03242	1.6
161.04575	33.5
161.09702	3.3
163.04037	1.1
163.07617	6.3
163.11357	1.1
165.05605	1.9
169.01442	19.7
170.01752	8.5
171.08133	1.8
177.09317	1.1
181.05090	1.4
185.09766	6.4
186.10521	2.6
188.08316	1.4
189.05635	5.7
189.09216	3.9
201.12854	49.9
202.10042	1.5
203.10797	13.8
204.11555	25.6
217.12355	2.1
219.13910	79.8
220.14188	2.3
227.10718	2.3
230.09525	8.3
245.11844	56.0
246.12253	2.4
263.12903	100.0
264.13226	3.9
287.12793	1.3
301.09332	9.7
329.13916	1.3
343.85767	1.1
348.26099	1.1
389.16180	1.2
407.17139	5.6
547.13293	2.1
547.21661	8.8
547.28204	1.2
548.22296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89025	59.3
53.67919	54.7
79.81676	55.1
79.98999	58.1
83.52349	55.5
85.02942	71.3
85.03720	65.1
169.75349	60.0
489.61246	61.4
503.19800	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	547.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75517	16.1
69.75871	17.7
98.21932	12.8
105.62388	8.2
151.97263	7.3
196.65356	7.9
209.12015	10.1
252.25053	7.6
301.14951	8.5
311.22311	12.7
313.69647	8.6
369.47247	8.3
432.87854	7.7
439.28610	70.9
441.30246	71.2
517.31769	100.0
518.31738	9.3
547.32886	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	547.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35612	0.4
52.81295	0.3
53.55403	0.3
59.01384	100.0
65.17348	0.3
69.89863	1.1
77.97010	0.3
87.99203	0.3
135.58636	0.4
276.13403	0.4
279.64319	0.4
471.35147	1.2
547.28857	0.5
547.36481	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	548.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.3
61.98824	5.0
63.73511	1.6
69.07991	11.7
71.01380	4.6
83.05024	4.9
85.02953	1.8
89.02492	2.4
96.96028	3.2
101.02486	2.8
123.00888	1.9
125.02461	2.7
129.05571	2.8
135.04523	1.9
159.10278	3.0
169.01439	5.7
229.14389	2.5
254.16339	1.8
269.98087	5.7
270.98557	1.8
275.02078	1.9
285.00372	6.1
297.97549	22.9
298.98346	3.0
300.99808	3.1
312.99924	42.2
314.00446	2.7
328.02261	48.4
329.02933	5.5
343.04602	100.0
344.04965	3.4
353.03058	1.9
368.18616	1.9
435.25046	2.4
485.19656	2.1
511.29172	37.6
512.29517	37.4
547.28430	3.9
548.29376	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	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	73.4
61.98837	100.0
71.01381	6.3
73.68396	1.5
74.57986	1.5
84.87619	1.5
89.02447	2.5
89.12508	1.6
101.02460	5.0
113.02463	4.0
123.00874	2.4
125.02504	2.8
129.77094	1.8
141.66290	2.0
145.01411	2.1
161.04547	1.7
167.21175	1.9
167.65677	1.9
169.01414	1.7
177.01909	3.4
179.70676	1.7
187.71036	1.5
400.56631	1.9
488.33386	3.7
549.23364	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	548.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81277	1.4
59.01383	40.2
60.01720	1.3
61.98836	100.0
70.58913	2.5
71.01382	5.7
73.02943	2.8
83.01350	1.4
85.02959	4.0
89.02449	1.8
97.02988	1.5
97.44814	1.2
101.02451	3.5
107.01379	1.8
113.02455	2.4
115.92107	1.6
116.92862	3.6
117.92899	3.2
123.00930	2.1
124.01631	3.6
125.02435	8.1
135.04564	2.5
137.02460	1.6
140.01155	1.2
151.00433	1.7
168.00612	5.0
169.01424	9.5
179.03575	1.4
183.02904	1.4
203.03351	1.5
211.02451	7.5
217.04984	1.9
229.94289	1.3
232.08630	1.4
271.04584	9.7
300.99942	2.7
331.06839	1.5
488.32358	1.3
548.22211	2.2
549.14795	1.3
549.23401	33.2
549.31769	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	548.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18521	8.8
59.01377	7.8
61.98835	100.0
66.46763	8.1
82.38864	8.2
98.22618	23.9
130.84200	7.8
192.98132	8.0
203.15726	8.1
223.71713	7.8
488.34921	13.3
548.30811	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11858	0.7
52.53474	0.8
57.03458	5.0
59.82711	0.7
63.02399	6.3
65.00331	5.9
69.67680	3.3
83.01401	7.5
93.03463	1.6
95.01420	1.1
107.01396	13.1
109.02988	1.3
121.03001	1.7
124.01670	1.0
125.02465	22.8
135.00827	1.0
137.02452	1.4
139.72935	0.7
151.00383	44.1
152.01126	2.3
163.00360	6.5
165.01953	6.7
169.01428	4.5
177.02002	1.1
178.99873	80.4
180.00267	1.0
187.03999	1.0
197.04564	3.5
209.06029	0.7
213.05586	1.0
215.03505	2.0
219.02237	0.7
225.05659	1.0
233.06013	0.9
239.03493	1.5
239.05649	1.9
241.05168	1.6
255.06654	0.8
265.05051	2.2
267.03113	1.0
269.06656	0.9
277.05087	0.7
279.06607	1.3
281.04611	2.1
283.05975	1.3
289.05246	1.4
291.03387	0.8
292.75861	0.7
293.04721	1.5
299.07712	0.7
305.04532	2.5
305.07776	1.0
307.05960	1.3
309.03842	1.2
317.04517	1.3
321.03668	1.2
323.05478	1.4
329.04651	0.8
333.04099	3.4
335.01855	1.2
337.03494	1.2
341.06720	1.5
343.06079	1.1
349.03445	3.7
349.07370	1.1
351.05011	4.0
357.03983	1.0
361.03622	1.5
367.04449	1.6
369.06171	1.9
377.02960	2.3
381.03879	1.1
383.03949	1.7
387.01477	3.2
395.04752	0.9
399.05130	1.1
405.02988	0.8
417.06226	1.8
423.05060	0.8
445.05408	0.9
451.04968	1.3
457.06256	0.8
464.13934	0.8
467.03830	0.9
485.05035	1.2
487.06348	1.2
495.03595	2.4
513.04498	7.8
531.05652	7.4
549.06805	100.0
549.23901	2.8
550.07111	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	549.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92611	1.0
59.01382	3.3
60.07630	1.0
66.97880	1.0
71.01396	2.4
72.11563	1.1
73.02963	1.0
75.52467	1.1
78.95893	1.3
79.95747	2.1
83.01385	1.5
93.56886	1.1
96.95389	2.1
96.96022	43.9
107.01395	1.8
108.02216	2.5
121.02979	2.5
125.02488	1.5
135.00932	1.1
148.01689	1.7
150.03027	1.1
151.00375	7.9
151.29959	1.1
163.00403	1.7
169.01445	1.8
173.16646	1.1
177.01927	1.4
178.99911	3.5
227.03520	3.7
243.02963	10.2
251.14716	1.3
254.02170	1.3
255.02995	25.6
271.02518	56.3
272.03055	2.3
299.01941	2.5
300.02777	100.0
301.00061	1.9
301.03506	30.1
387.11768	1.0
463.08911	11.7
505.09918	74.6
506.10480	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
69.00942	2.2
71.01389	1.5
76.33163	1.2
77.41319	1.1
87.38155	1.1
96.96009	1.1
101.02487	1.5
106.68226	1.2
107.01392	2.3
108.02151	1.8
109.02976	1.5
118.64800	1.2
121.02959	1.9
129.60747	1.2
148.01729	1.4
151.00400	8.5
152.34406	1.3
157.78006	1.2
160.03987	1.3
161.04517	1.3
163.00352	1.4
178.99858	5.6
227.03630	2.3
243.02945	9.6
254.02148	2.0
255.03009	23.4
271.02499	48.7
271.25278	1.2
272.03119	4.0
284.47824	1.2
300.02777	100.0
301.03531	32.0
301.06824	0.9
311.10461	3.5
369.10953	2.8
387.12424	1.9
463.08936	6.2
468.91675	1.5
505.09964	62.8
506.09879	4.9
549.17572	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	549.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51645	0.2
59.01380	0.8
61.98832	2.1
63.43560	0.3
70.02000	0.6
74.03186	0.3
77.03954	1.8
106.64384	0.3
121.02965	100.0
122.03265	1.7
165.01939	53.8
166.02238	0.9
168.20688	0.3
176.91736	0.3
180.05835	0.6
181.06636	2.5
197.06111	2.2
207.04544	0.9
225.05583	1.5
257.09927	0.4
281.37704	0.3
313.07233	1.8
340.35928	0.3
357.06207	1.0
383.07874	0.5
417.09790	2.4
505.11493	1.7
549.10419	29.1
550.10986	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	549.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66754	1.5
56.12029	1.8
57.03418	1.8
59.01384	60.0
61.96922	1.4
61.98798	1.9
63.81169	1.5
63.92471	1.4
69.14251	3.9
69.14668	6.2
71.01385	15.9
73.02920	1.5
78.29697	1.4
80.52850	1.5
81.03418	1.5
83.01332	1.7
85.02905	5.1
87.00832	2.6
89.02450	8.3
96.96021	41.7
97.02904	1.5
101.02463	9.0
107.01360	2.3
108.02161	1.7
109.02946	3.5
113.02355	4.6
115.00237	1.5
119.03401	2.4
121.02906	1.7
123.00855	3.3
123.04533	2.1
124.01596	2.0
125.02473	9.9
127.07549	1.8
133.02968	11.6
135.04539	3.1
137.02397	2.0
139.00414	1.7
139.07573	2.3
145.02824	2.2
147.04453	2.2
148.39490	1.5
149.02345	2.5
151.03918	2.3
153.09143	1.6
157.08722	30.4
159.51527	1.3
161.02344	3.6
161.04486	5.2
161.05821	1.7
163.03908	3.3
169.01445	9.7
173.02306	1.9
175.02473	2.3
175.03886	6.6
177.01767	2.7
177.05319	2.1
181.04959	3.0
189.01791	2.7
190.02672	2.7
191.03369	3.7
196.07304	1.9
201.01788	3.5
203.03345	5.4
205.01234	1.9
205.04982	2.9
211.09644	3.8
213.05544	1.7
215.03355	1.5
217.01294	1.9
217.04909	1.8
219.02910	2.8
223.06042	2.4
225.14941	2.9
229.01347	3.9
231.02853	3.2
245.04207	2.3
247.02333	2.1
253.04871	1.7
253.10777	3.3
255.06406	2.3
257.04385	2.0
260.24475	1.7
269.04135	1.5
269.07907	3.1
271.02164	2.6
271.09552	2.4
274.98975	1.6
275.01694	3.2
284.03079	1.9
285.03848	1.7
295.05975	2.5
295.09933	1.9
297.03729	5.4
297.07245	3.3
297.12192	2.3
298.04797	8.1
299.05273	6.3
299.08997	6.4
299.98871	4.8
300.99844	19.2
309.03812	2.5
311.05667	7.9
311.08496	1.4
312.06345	11.1
313.07291	10.6
315.08505	2.1
323.05527	3.4
325.06870	7.5
325.11572	3.5
327.04745	5.7
337.11472	1.6
339.05136	12.4
341.02777	1.7
341.06628	15.4
343.08276	11.4
351.04816	3.6
353.06314	3.1
353.10971	1.7
355.12762	3.7
357.05887	2.3
369.06183	51.7
369.10535	3.1
370.06143	3.1
381.05676	7.0
385.09082	3.8
387.19739	3.7
392.03308	1.6
399.07187	39.7
399.12170	2.2
411.06653	4.7
429.07605	6.4
441.07562	6.9
445.11157	2.4
459.09341	44.1
463.04562	2.0
471.09082	2.9
489.10266	13.9
505.05679	5.2
505.12897	4.6
514.85803	1.7
521.12366	3.2
531.10663	4.9
549.11804	100.0
549.25397	6.3
550.12085	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1253
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
54.66754	1.5
56.12029	1.8
57.03418	1.8
59.01384	60.0
61.96922	1.4
61.98798	1.9
63.81169	1.5
63.92471	1.4
69.14251	3.9
69.14668	6.2
71.01385	15.9
73.02920	1.5
78.29697	1.4
80.52850	1.5
81.03418	1.5
83.01332	1.7
85.02905	5.1
87.00832	2.6
89.02450	8.3
96.96021	41.7
97.02904	1.5
101.02463	9.0
107.01360	2.3
108.02161	1.7
109.02946	3.5
113.02355	4.6
115.00237	1.5
119.03401	2.4
121.02906	1.7
123.00855	3.3
123.04533	2.1
124.01596	2.0
125.02473	9.9
127.07549	1.8
133.02968	11.6
135.04539	3.1
137.02397	2.0
139.00414	1.7
139.07573	2.3
145.02824	2.2
147.04453	2.2
148.39490	1.5
149.02345	2.5
151.03918	2.3
153.09143	1.6
157.08722	30.4
159.51527	1.3
161.02344	3.6
161.04486	5.2
161.05821	1.7
163.03908	3.3
169.01445	9.7
173.02306	1.9
175.02473	2.3
175.03886	6.6
177.01767	2.7
177.05319	2.1
181.04959	3.0
189.01791	2.7
190.02672	2.7
191.03369	3.7
196.07304	1.9
201.01788	3.5
203.03345	5.4
205.01234	1.9
205.04982	2.9
211.09644	3.8
213.05544	1.7
215.03355	1.5
217.01294	1.9
217.04909	1.8
219.02910	2.8
223.06042	2.4
225.14941	2.9
229.01347	3.9
231.02853	3.2
245.04207	2.3
247.02333	2.1
253.04871	1.7
253.10777	3.3
255.06406	2.3
257.04385	2.0
260.24475	1.7
269.04135	1.5
269.07907	3.1
271.02164	2.6
271.09552	2.4
274.98975	1.6
275.01694	3.2
284.03079	1.9
285.03848	1.7
295.05975	2.5
295.09933	1.9
297.03729	5.4
297.07245	3.3
297.12192	2.3
298.04797	8.1
299.05273	6.3
299.08997	6.4
299.98871	4.8
300.99844	19.2
309.03812	2.5
311.05667	7.9
311.08496	1.4
312.06345	11.1
313.07291	10.6
315.08505	2.1
323.05527	3.4
325.06870	7.5
325.11572	3.5
327.04745	5.7
337.11472	1.6
339.05136	12.4
341.02777	1.7
341.06628	15.4
343.08276	11.4
351.04816	3.6
353.06314	3.1
353.10971	1.7
355.12762	3.7
357.05887	2.3
369.06183	51.7
369.10535	3.1
370.06143	3.1
381.05676	7.0
385.09082	3.8
387.19739	3.7
392.03308	1.6
399.07187	39.7
399.12170	2.2
411.06653	4.7
429.07605	6.4
441.07562	6.9
445.11157	2.4
459.09341	44.1
463.04562	2.0
471.09082	2.9
489.10266	13.9
505.05679	5.2
505.12897	4.6
514.85803	1.7
521.12366	3.2
531.10663	4.9
549.11804	100.0
549.25397	6.3
550.12085	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66754	1.5
56.12029	1.8
57.03418	1.8
59.01384	60.0
61.96922	1.4
61.98798	1.9
63.81169	1.5
63.92471	1.4
69.14251	3.9
69.14668	6.2
71.01385	15.9
73.02920	1.5
78.29697	1.4
80.52850	1.5
81.03418	1.5
83.01332	1.7
85.02905	5.1
87.00832	2.6
89.02450	8.3
96.96021	41.7
97.02904	1.5
101.02463	9.0
107.01360	2.3
108.02161	1.7
109.02946	3.5
113.02355	4.6
115.00237	1.5
119.03401	2.4
121.02906	1.7
123.00855	3.3
123.04533	2.1
124.01596	2.0
125.02473	9.9
127.07549	1.8
133.02968	11.6
135.04539	3.1
137.02397	2.0
139.00414	1.7
139.07573	2.3
145.02824	2.2
147.04453	2.2
148.39490	1.5
149.02345	2.5
151.03918	2.3
153.09143	1.6
157.08722	30.4
159.51527	1.3
161.02344	3.6
161.04486	5.2
161.05821	1.7
163.03908	3.3
169.01445	9.7
173.02306	1.9
175.02473	2.3
175.03886	6.6
177.01767	2.7
177.05319	2.1
181.04959	3.0
189.01791	2.7
190.02672	2.7
191.03369	3.7
196.07304	1.9
201.01788	3.5
203.03345	5.4
205.01234	1.9
205.04982	2.9
211.09644	3.8
213.05544	1.7
215.03355	1.5
217.01294	1.9
217.04909	1.8
219.02910	2.8
223.06042	2.4
225.14941	2.9
229.01347	3.9
231.02853	3.2
245.04207	2.3
247.02333	2.1
253.04871	1.7
253.10777	3.3
255.06406	2.3
257.04385	2.0
260.24475	1.7
269.04135	1.5
269.07907	3.1
271.02164	2.6
271.09552	2.4
274.98975	1.6
275.01694	3.2
284.03079	1.9
285.03848	1.7
295.05975	2.5
295.09933	1.9
297.03729	5.4
297.07245	3.3
297.12192	2.3
298.04797	8.1
299.05273	6.3
299.08997	6.4
299.98871	4.8
300.99844	19.2
309.03812	2.5
311.05667	7.9
311.08496	1.4
312.06345	11.1
313.07291	10.6
315.08505	2.1
323.05527	3.4
325.06870	7.5
325.11572	3.5
327.04745	5.7
337.11472	1.6
339.05136	12.4
341.02777	1.7
341.06628	15.4
343.08276	11.4
351.04816	3.6
353.06314	3.1
353.10971	1.7
355.12762	3.7
357.05887	2.3
369.06183	51.7
369.10535	3.1
370.06143	3.1
381.05676	7.0
385.09082	3.8
387.19739	3.7
392.03308	1.6
399.07187	39.7
399.12170	2.2
411.06653	4.7
429.07605	6.4
441.07562	6.9
445.11157	2.4
459.09341	44.1
463.04562	2.0
471.09082	2.9
489.10266	13.9
505.05679	5.2
505.12897	4.6
514.85803	1.7
521.12366	3.2
531.10663	4.9
549.11804	100.0
549.25397	6.3
550.12085	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03437	0.7
59.01386	11.9
65.00331	0.6
67.01876	1.8
68.99806	0.7
69.03446	1.2
69.12345	2.9
71.01019	0.9
71.01392	12.2
72.99316	0.8
73.02947	4.9
75.00883	0.6
78.01115	0.6
79.01887	1.8
81.03488	0.5
82.00597	0.7
83.01392	1.4
85.02962	6.2
87.00866	1.4
87.04531	0.8
89.02459	5.5
95.01403	3.8
96.95993	0.6
97.02984	2.1
99.00880	3.1
101.02452	7.8
107.01389	6.0
111.00881	2.0
113.02470	4.3
119.03480	0.4
123.00900	23.6
124.01688	11.5
125.02464	23.2
126.02803	0.5
127.00346	0.7
136.98785	1.2
139.00369	4.0
139.03935	0.8
140.01183	3.6
141.01976	4.7
143.03464	0.8
147.04515	0.6
149.04572	0.8
151.00392	12.4
151.03979	0.6
153.01936	1.1
161.04570	2.4
161.92580	0.5
163.00516	0.4
163.04044	0.6
166.99892	1.3
168.00668	4.1
169.01434	24.6
170.01770	0.6
179.03456	0.7
181.12340	1.6
183.02977	1.5
191.05504	0.6
192.07784	1.0
198.31908	0.4
205.08768	0.6
211.02379	1.1
225.11424	2.2
253.03662	0.6
271.04605	0.6
277.10794	1.1
313.05573	1.2
349.52686	0.5
417.25027	3.4
429.17639	0.5
501.28568	0.6
503.11780	0.6
513.19775	1.3
529.28442	0.5
549.16132	100.0
549.28625	14.1
550.16498	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	549.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.2
61.98820	1.1
71.01370	3.9
71.43065	0.8
73.02950	1.9
74.08282	0.9
82.38662	0.9
84.95110	2.5
85.02911	2.0
89.02440	2.4
91.70715	0.9
96.96031	1.4
101.02438	3.2
109.02924	1.5
113.02433	2.6
117.13725	0.9
121.02957	3.2
122.03692	1.5
123.00923	2.1
125.02425	2.1
136.01675	30.0
137.02495	4.7
137.74544	0.9
138.83380	0.9
149.04626	1.0
151.00383	13.6
151.04021	46.6
160.05289	1.3
161.02422	0.9
161.04579	2.3
162.03183	1.2
163.03969	1.8
166.02728	40.9
167.03413	1.3
169.01439	2.3
175.04015	1.1
175.07628	1.3
177.01962	2.5
181.05084	40.9
190.06317	1.0
207.06761	0.9
249.03925	0.9
275.01990	1.1
300.29614	1.1
300.99866	1.5
334.57950	0.9
357.09842	9.8
372.12061	6.1
387.14523	100.0
388.14890	4.2
486.19873	1.2
548.28827	1.5
549.29614	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	549.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51169	0.2
52.23038	0.2
57.03441	0.2
59.01384	2.8
60.70475	0.2
61.98837	1.0
62.15891	0.2
69.34676	0.2
70.91439	0.2
71.01377	0.8
73.02969	0.4
73.37614	0.2
75.00851	0.2
80.65221	0.2
81.03448	0.6
83.01377	0.3
87.00886	0.2
89.03978	2.3
95.05053	0.3
96.96005	0.2
99.04564	0.2
101.02433	0.4
104.02705	0.2
105.03472	3.2
107.01359	0.4
113.02457	0.4
118.02383	0.2
123.00911	0.7
123.04580	0.2
124.01661	0.4
125.02448	1.8
133.02972	9.2
135.04555	0.3
145.01384	0.4
148.01648	0.4
149.02458	1.0
151.00397	0.4
152.75728	0.2
168.00601	0.6
169.01425	1.8
176.01173	0.6
177.01947	100.0
178.02255	2.2
183.13962	0.8
205.41019	0.2
211.02698	0.3
225.22836	0.2
227.12904	0.3
243.06602	0.5
291.38229	0.2
293.14050	0.3
299.99069	1.0
300.99957	0.5
387.18231	0.5
489.34348	0.5
506.34454	0.3
537.27954	0.2
549.06396	0.7
549.20398	7.4
550.19379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1983
Annotation	Eucommin A
Peak:m/z	Relative Intensity
59.01389	3.9
69.18272	3.9
71.01388	3.5
73.02938	1.9
76.28174	0.7
84.95129	2.0
85.02952	1.7
89.02443	1.7
99.00850	0.8
101.02439	1.6
107.46617	0.7
108.02222	1.0
109.02985	1.6
113.02477	1.4
121.02980	4.2
122.03755	1.6
123.00908	2.4
123.37842	0.7
125.02467	2.0
136.01672	28.2
137.02452	4.7
146.22998	0.8
149.02400	1.0
151.00398	10.8
151.04016	44.1
152.01151	1.0
152.04771	0.7
161.04561	1.8
162.03221	0.8
163.04034	0.8
166.02728	34.9
167.03461	1.2
169.01436	2.0
175.04005	1.5
177.01901	1.5
179.03651	1.0
179.05490	0.7
181.05077	43.4
182.05411	1.0
190.06444	0.8
191.03459	1.0
193.05110	0.8
219.06642	0.9
275.02087	1.1
300.99838	2.2
329.10464	1.1
331.93277	0.7
357.09900	8.1
372.12192	7.6
387.14511	100.0
388.14740	4.4
511.29141	1.3
549.29181	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	549.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88913	0.9
59.01382	7.1
61.98830	2.1
63.16332	1.3
68.27232	0.9
68.99813	2.1
70.67337	1.5
70.67647	1.2
71.01382	4.5
78.60508	1.1
79.01920	1.0
82.95417	1.7
83.22185	1.0
85.02944	1.1
89.02499	1.0
95.01361	1.1
97.03005	1.1
101.02440	1.3
107.01391	4.0
108.02177	5.2
111.00911	3.6
113.02470	1.1
123.00909	9.8
123.04552	5.0
124.01675	16.5
125.02456	25.5
127.00355	1.9
130.54359	1.1
136.98839	2.3
139.00371	3.3
140.01176	5.2
141.01878	1.4
150.03244	4.3
151.00380	5.1
162.03281	2.2
167.03549	1.5
168.00648	16.0
168.01970	1.4
169.01445	35.2
175.04005	1.3
176.33900	1.0
177.04117	1.5
177.05530	2.6
178.02742	7.2
184.90054	1.1
193.05029	11.2
211.02487	33.5
218.05885	1.2
224.49345	1.2
241.03543	1.2
271.04617	38.2
279.06653	2.4
295.06146	3.1
306.08954	1.5
307.06171	3.7
309.07782	1.8
310.08603	3.3
322.08609	2.9
324.10043	2.4
325.10870	5.1
331.06604	1.2
337.10941	4.3
377.10519	1.1
401.26566	1.0
446.87317	1.1
449.13107	1.2
457.73636	0.9
462.62970	1.2
519.16473	1.8
549.23663	100.0
550.24188	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01387	5.7
59.12390	0.2
59.20456	0.2
61.98838	0.6
65.24312	0.2
69.03454	0.2
71.01386	3.1
71.42678	0.2
72.01769	0.2
72.99308	0.2
73.02946	1.2
82.95423	0.2
83.01419	0.4
85.02957	1.6
87.00905	0.3
89.02453	1.5
89.04004	0.3
95.01417	0.5
97.02980	0.3
99.00887	0.3
101.02431	1.5
105.03481	0.7
113.02461	1.0
117.03512	1.2
119.03534	0.4
119.05114	0.3
123.00912	0.7
123.04543	0.4
123.08261	0.3
124.01694	0.2
125.02460	0.9
132.02194	1.6
133.02977	32.6
134.03673	0.9
135.04541	9.2
137.02428	0.5
138.06900	1.2
139.04030	0.5
145.01456	0.4
145.03033	0.3
153.09229	2.1
161.02464	100.0
162.02812	2.0
163.04048	0.2
166.99896	0.2
169.01482	0.6
177.05472	0.3
179.03529	4.6
183.10289	0.3
188.76007	0.2
207.13959	0.3
221.04555	0.3
225.15001	0.9
246.94402	0.2
269.17755	0.2
271.17178	0.2
275.01913	0.3
295.53659	0.2
297.11850	0.3
300.99991	0.4
505.06943	0.4
549.23413	72.0
550.23706	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.02100	1.1
57.03453	7.0
58.00584	1.3
59.01383	87.3
69.03455	2.6
71.01387	88.6
71.05015	1.8
71.60800	1.0
72.99296	2.5
73.02950	21.6
83.01399	9.3
85.02952	27.0
87.00876	6.5
89.02450	53.2
90.02793	1.4
95.01387	6.6
95.05079	1.2
96.96022	17.8
97.02970	6.9
99.00877	7.2
101.02454	65.6
107.01402	2.3
109.02920	1.6
109.06586	2.5
111.00871	3.2
111.04495	1.5
113.02460	39.1
115.04089	1.1
119.03523	25.2
123.00898	3.6
124.01668	1.6
124.69444	1.2
125.02464	19.4
127.37113	1.2
131.03491	4.6
133.03061	1.2
135.09444	1.2
137.02379	1.3
138.06892	16.3
139.00395	1.2
139.07477	1.1
141.01941	2.5
143.03528	10.7
149.02516	1.6
149.04544	3.4
151.00337	1.8
151.04033	1.4
153.05510	1.1
153.09222	40.9
156.54057	1.5
159.02965	4.1
161.04565	39.4
163.00443	1.2
163.03992	1.2
169.01427	6.4
175.03969	1.5
179.00206	4.5
179.05614	21.7
191.03542	1.9
207.13890	2.9
221.06680	8.6
225.14975	55.8
245.01131	1.5
245.06586	3.1
263.07700	4.2
275.02002	2.0
281.07996	1.5
285.03766	1.2
297.07462	2.0
299.05594	1.1
299.09314	2.8
300.99905	6.1
307.28699	1.3
313.06485	1.8
323.09866	6.0
325.07114	4.4
341.06708	4.5
343.08228	4.0
352.29944	1.2
369.05927	7.3
373.52539	1.1
387.12854	1.6
387.20258	35.5
388.20813	1.5
410.32303	1.2
437.10614	1.4
489.19760	2.0
531.10828	2.5
549.13257	6.1
549.19214	4.3
549.25543	100.0
550.25940	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	549.284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41010	15.0
59.00950	14.6
69.15341	100.0
98.21856	29.8
130.85106	18.5
142.83192	19.8
167.91136	19.9
188.80276	16.1
249.29675	19.0
277.21799	25.3
291.19534	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49149	1.7
53.74080	1.8
57.97577	2.5
58.83752	1.8
59.01382	100.0
59.57852	1.8
61.98819	2.8
62.11398	1.6
67.07504	1.7
71.43952	2.2
72.50921	1.7
83.66547	1.6
105.22636	1.7
121.02975	2.4
137.05960	1.8
144.56061	1.9
283.09875	2.0
489.35513	5.4
549.30823	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20499	0.5
55.01880	3.5
57.03436	2.0
58.00585	1.0
59.01383	39.8
61.98833	0.8
67.01872	1.0
69.03444	2.1
69.19133	3.0
71.01387	53.5
72.99316	0.9
73.02953	21.2
75.00882	1.1
79.01924	0.8
81.03461	0.7
83.01395	5.4
84.02161	0.5
85.02956	21.3
87.00896	3.1
87.04500	1.9
89.02451	25.1
90.76988	0.5
95.01400	4.5
95.71112	0.4
97.02946	3.3
99.00896	10.3
99.04547	0.7
101.02448	31.9
107.01400	2.4
111.00867	2.1
111.04554	0.7
113.02464	18.7
113.03263	1.0
115.04015	1.7
119.03522	4.4
123.00893	10.2
123.01775	0.9
124.01693	4.3
125.02460	14.2
127.37290	0.5
129.01939	1.0
131.03517	3.6
139.00368	1.8
140.01180	0.9
141.01915	1.9
143.03491	2.6
149.04575	5.6
151.00378	4.4
159.03018	3.5
161.02498	0.6
161.04568	16.5
162.04980	0.5
166.99806	0.7
168.00623	1.7
169.01439	9.7
179.00041	0.5
179.05623	0.9
179.51620	0.5
191.05595	2.0
225.11519	0.7
233.06641	2.1
255.19656	1.2
293.08853	1.9
417.24976	27.8
418.25345	1.4
501.28500	0.5
513.19574	0.9
532.47278	0.6
549.16101	38.6
549.29144	100.0
550.16681	2.8
550.29425	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	549.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32318	0.2
59.01385	0.3
69.17334	0.9
69.17747	0.3
76.19593	0.2
78.95911	2.8
79.95742	2.6
87.30311	0.2
94.98107	0.3
95.97600	0.2
96.96022	100.0
96.96911	5.0
98.21883	0.4
122.03880	0.2
189.97760	0.2
205.06241	0.2
225.14934	0.3
255.95190	0.2
413.83481	0.2
438.72827	0.2
489.18173	0.4
495.12646	0.2
549.20575	0.9
549.30292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.5
56.92767	0.5
57.03482	1.2
57.87788	0.6
59.01383	7.0
61.06657	0.5
64.29590	0.5
64.83137	0.5
66.56382	0.5
69.26465	3.0
71.01386	3.4
71.98783	0.5
73.02988	1.6
81.12281	0.5
82.95496	0.5
84.60469	0.7
85.02982	1.5
87.00908	0.7
88.98842	1.2
89.02477	3.0
95.01412	0.9
96.96042	4.9
101.02483	2.1
107.01411	0.6
113.02497	1.3
115.00408	0.6
119.03542	0.8
120.63833	0.6
123.00925	1.6
125.02477	3.1
135.04517	0.6
137.02487	0.8
142.98138	1.0
145.02972	0.8
161.02486	0.8
161.04622	0.9
163.03951	0.7
169.01477	3.3
175.04016	0.7
179.00266	2.9
181.03384	0.5
190.02734	1.0
191.03545	1.8
200.04729	0.6
203.03549	1.0
209.06296	0.7
225.14990	0.7
229.01472	1.0
235.39427	0.5
244.89149	0.5
245.00923	0.7
255.06598	0.6
255.99867	0.5
273.00327	0.6
275.01990	1.4
292.90024	0.6
299.09332	2.2
301.00015	1.9
325.07434	1.2
341.06607	1.7
343.08255	1.5
361.25406	0.8
363.27057	1.1
369.06161	2.2
378.58841	0.6
385.09399	1.9
411.83957	0.7
428.26099	0.7
487.30701	100.0
488.31088	4.4
505.14420	3.7
505.20761	0.9
505.23633	0.9
505.31702	12.0
506.32254	0.8
517.14142	1.0
521.12604	1.0
549.12567	5.0
549.30719	69.0
550.30957	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	550.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.2
61.98837	9.7
67.18526	6.2
71.01367	12.1
82.71363	6.9
83.01428	7.8
93.03454	9.5
95.01373	12.9
96.95957	8.1
107.01450	6.2
111.00911	7.2
111.04519	18.6
113.02435	8.3
123.00909	31.4
125.02455	58.0
135.04593	11.5
139.00374	7.0
140.19652	6.6
141.01982	8.7
151.00360	21.5
155.03490	15.5
169.01471	78.5
170.61739	6.7
173.04608	8.2
177.45638	6.6
186.18381	6.7
189.01915	6.5
191.03545	9.3
193.31804	8.5
193.44244	6.4
201.01791	10.6
211.02501	12.5
271.04419	7.6
275.01978	20.3
300.99835	54.0
317.82462	10.0
331.06833	16.6
341.03464	6.9
425.68158	7.7
469.10016	41.0
469.46378	9.1
487.10974	100.0
546.44861	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	550.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	34.5
71.41291	25.1
83.11111	16.2
83.94505	18.3
92.11123	17.9
112.14246	17.1
120.50209	19.8
131.07896	16.0
172.56548	17.5
209.11795	100.0
223.13403	84.0
393.95004	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	550.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12775	10.4
53.31092	12.4
56.22574	11.3
57.03403	10.6
59.01394	13.2
61.98843	100.0
69.13795	77.4
74.75600	10.3
98.21906	28.8
102.00968	12.5
134.50624	12.0
156.05905	11.6
158.79767	11.6
190.51099	11.7
551.08405	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	550.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.9
61.98834	100.0
67.98521	0.5
69.16791	3.5
85.68961	0.5
103.05241	0.5
115.64262	0.5
133.62352	0.5
329.58945	0.5
333.47641	0.5
483.87949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	67.9
69.06484	13.5
71.01379	29.2
71.43233	14.0
89.02457	43.5
135.45061	13.6
157.10745	13.3
169.01604	19.2
173.69772	17.3
239.02849	15.3
289.53528	14.6
350.64221	17.1
401.16025	62.2
448.29196	15.4
507.33405	100.0
516.46436	14.1
550.33655	47.5
550.42877	18.8
551.21564	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	551.0839
Annotation	Epitheaflagallin 3-O-gallate
Peak:m/z	Relative Intensity
59.01379	5.4
61.98829	1.1
69.75853	1.3
71.01391	2.4
73.02944	0.8
85.02966	0.7
89.02446	1.1
95.01382	0.8
97.02962	0.4
99.59577	0.4
101.02444	1.8
107.01400	1.3
111.00874	0.6
113.02483	0.9
123.00889	6.4
124.01698	3.8
125.02461	9.0
134.03746	1.1
135.04521	1.7
137.09717	3.6
139.00377	1.6
140.01180	2.2
141.01962	1.2
151.00400	3.6
155.10788	13.0
168.00632	2.2
169.01440	11.7
169.12369	1.6
172.01672	0.6
178.02620	1.3
179.03503	0.6
181.08754	0.6
193.05095	3.0
197.11911	0.6
199.09784	14.5
200.01201	0.4
219.14017	0.4
223.09723	0.8
228.00671	0.5
241.10887	2.6
242.99359	0.6
268.00107	0.8
270.98846	6.3
271.11871	1.3
281.00961	0.5
282.01822	0.4
282.98865	0.7
283.99667	1.1
285.00357	0.5
293.01138	1.0
297.00436	4.8
298.01108	1.1
298.98395	5.1
299.99146	9.7
300.99890	1.4
301.12943	4.3
307.02948	0.5
309.00302	0.9
310.01389	0.6
311.01923	0.9
313.05838	0.8
321.00162	0.6
321.03574	0.6
322.01151	1.7
323.01871	1.1
323.99030	1.4
330.32755	0.4
335.01950	1.6
336.02844	0.8
336.99918	9.2
337.03687	0.8
338.00522	0.6
349.03619	1.1
350.00662	2.0
351.01257	1.5
351.05081	0.5
361.15277	1.9
363.01440	2.1
365.03055	1.3
375.01160	0.7
375.05310	0.6
377.03281	2.0
379.00629	0.5
379.04727	1.2
391.00955	1.4
392.05530	2.7
393.02515	5.9
419.04288	0.5
421.05817	0.7
451.02979	0.5
456.30908	0.4
463.06714	2.1
479.02457	0.9
491.06238	3.9
550.23901	0.8
551.08337	100.0
551.24933	35.2
552.08661	5.5
552.25464	0.6
570.05096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0835
Annotation	Epitheaflagallin 3-O-gallate
Peak:m/z	Relative Intensity
51.00493	0.4
59.01369	0.6
70.56459	0.5
70.68499	0.4
72.25809	0.5
91.00802	0.5
95.01389	0.5
97.06952	0.4
123.00901	1.7
124.01664	1.0
125.02435	1.9
134.93689	0.5
145.86530	0.4
151.00389	0.8
153.11290	0.5
168.00644	0.5
169.01462	2.2
169.02684	0.5
192.99614	0.6
198.46631	0.5
200.01125	1.0
209.11812	1.9
216.00693	0.7
217.18088	0.4
223.13490	2.9
242.99248	1.1
256.00153	0.8
268.00119	1.6
269.00943	0.5
270.98856	9.4
271.23746	0.5
271.99173	0.5
282.01807	0.7
282.98776	0.7
283.99573	3.2
285.00281	0.7
293.00775	2.4
294.01459	0.7
297.00424	5.1
298.01166	1.3
298.98355	9.6
299.99127	15.8
300.99832	3.5
304.99966	0.4
305.04089	0.4
307.99640	0.9
309.00464	3.2
310.00793	0.7
310.98477	0.7
311.01950	1.0
314.00540	0.5
321.00208	0.7
322.01257	3.4
323.99115	2.5
324.99835	1.0
332.03168	0.5
335.01984	1.1
336.99921	42.2
338.00616	3.1
339.01352	0.6
350.00696	1.5
351.01529	5.8
351.98483	0.8
359.02118	1.1
361.03607	2.3
366.00226	0.8
367.00983	3.4
373.03345	1.1
375.01309	2.5
377.02682	0.6
377.06839	0.7
387.05396	0.6
389.02722	3.0
391.04666	0.9
393.99750	1.1
401.02545	0.7
403.04675	0.9
405.06125	1.4
413.02802	0.7
415.04233	0.6
417.06210	1.4
419.07932	1.2
429.06085	2.8
431.07718	6.7
445.05829	0.7
447.07397	2.7
463.06918	0.7
482.09723	0.5
491.06238	1.3
507.09381	7.1
508.09894	0.6
551.08337	100.0
551.25012	9.6
552.08643	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	551.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03432	1.1
59.01387	32.8
61.98825	3.5
67.01894	2.4
69.03474	2.7
71.01392	15.8
73.02953	19.3
73.03361	1.0
75.00887	2.3
79.01892	3.2
81.03461	1.4
83.01402	11.2
85.02976	4.3
87.00890	1.9
87.79622	1.3
88.98832	1.9
89.02459	8.0
91.05547	10.5
93.03471	1.2
95.01412	5.5
96.96035	1.6
97.02991	2.7
98.21902	2.9
101.02454	13.5
107.01408	17.9
109.03012	1.3
110.10323	1.0
111.00880	2.3
113.02461	9.1
115.05563	2.2
117.03466	6.8
117.07115	1.9
119.03521	2.0
121.02921	1.2
123.00898	45.4
124.01703	12.4
125.02466	61.1
127.00304	1.0
131.03528	1.1
133.02986	5.2
133.06604	22.9
133.07530	1.9
135.04562	2.8
137.02458	3.2
139.00409	5.5
139.04010	2.3
140.01190	3.7
141.01976	8.3
151.00385	28.3
151.03976	1.3
153.01988	2.2
155.03554	1.1
161.02469	18.0
161.04601	1.5
161.06081	4.9
162.02753	2.1
163.04034	5.4
165.01938	2.0
165.12859	2.5
167.03502	2.0
168.00612	8.5
169.01445	100.0
177.05562	4.0
179.03516	2.3
179.05588	1.5
183.02998	18.9
183.13969	4.8
187.03999	7.2
189.01892	1.0
193.01437	2.4
211.02504	17.8
219.06746	1.3
223.05997	1.3
225.04118	4.8
227.12927	5.6
253.03503	3.9
271.04651	3.6
275.01920	1.2
299.99039	1.2
300.99985	1.2
313.05591	8.6
331.06638	9.8
345.08313	25.0
346.08411	1.5
348.68414	1.1
371.24637	1.2
373.07767	80.4
374.08334	2.4
381.12018	1.5
387.09418	4.2
389.19016	1.3
389.25076	1.1
399.12784	1.6
404.15851	1.3
461.19464	1.1
478.01859	1.1
491.11588	1.3
507.28314	4.0
533.12933	13.8
551.14136	72.0
551.24677	45.7
552.14404	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	551.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01384	18.8
60.99911	0.5
61.98830	1.0
65.00353	0.5
67.01904	0.6
69.03452	0.7
69.42147	1.5
69.42540	1.1
71.01376	3.0
73.02946	1.4
73.15000	0.4
75.00881	0.5
78.01124	0.5
79.01896	1.3
81.03464	0.6
82.00607	0.6
83.01410	1.2
84.16064	0.5
85.02959	1.3
87.00884	0.8
87.04546	0.5
88.98814	1.0
89.02471	2.6
90.04575	0.4
90.56673	0.4
95.01405	1.8
97.02961	1.5
98.22708	0.4
99.00906	1.2
101.02450	2.2
107.01399	7.4
110.00119	0.5
111.00872	2.6
113.02464	1.1
120.09792	0.5
123.00904	13.2
124.01684	16.7
125.02464	37.9
127.00404	1.0
135.04466	0.7
136.98810	1.7
137.02513	0.5
139.00420	3.5
140.01175	3.3
141.01999	2.5
151.00378	8.4
153.01958	1.2
161.02470	0.5
161.04532	0.6
165.12891	0.7
168.00650	7.4
169.01448	40.9
170.01801	0.7
179.05577	0.6
181.05045	0.6
183.13942	2.7
197.15567	1.6
207.03043	0.5
211.02495	1.2
227.12927	2.3
271.04767	1.0
295.04691	0.5
313.05682	1.6
325.49066	0.5
353.86938	0.6
381.11929	5.2
382.12054	0.6
399.12970	20.7
400.13437	0.8
455.24731	0.6
491.26785	1.4
507.33615	1.5
508.33401	1.5
551.14166	100.0
551.23950	6.9
552.14392	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	551.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.4
69.03033	0.8
70.66052	1.3
70.66399	1.5
71.01365	1.1
85.02952	1.2
93.03461	3.7
103.00404	1.3
103.01517	4.3
108.02271	0.9
121.02948	2.2
122.03751	18.3
122.35406	0.8
123.00941	1.2
124.01660	1.3
125.02448	2.4
133.02959	1.7
136.01619	1.2
147.04501	1.0
149.02460	17.8
150.03241	97.5
151.00371	2.3
151.03616	2.0
162.03252	1.7
164.04788	3.0
165.05585	100.0
166.05914	2.0
169.01379	2.6
175.03995	7.5
176.04768	1.0
177.05530	1.3
178.99872	2.2
180.04321	6.2
190.06367	3.0
192.59074	0.9
195.06639	53.9
218.05820	3.2
222.05376	2.1
223.07620	1.2
235.07654	1.7
237.05554	1.5
239.07085	1.0
251.07167	2.1
263.07083	1.3
265.08713	1.5
266.09448	0.9
267.06702	5.7
270.98798	1.3
279.06656	14.7
281.08295	1.5
283.99677	1.3
286.68304	0.9
291.06668	6.8
292.07431	3.1
293.08237	2.7
294.05750	1.3
294.09027	3.0
295.06137	14.0
296.06870	1.9
298.98282	1.0
299.99060	4.3
305.08115	1.5
306.09128	6.4
307.06183	19.2
307.09579	1.6
308.06207	1.0
309.07742	3.5
310.08548	9.5
311.09204	2.0
322.08484	12.3
324.09906	2.9
325.10843	34.5
326.11227	1.3
328.98221	0.9
337.10846	45.8
338.11224	1.8
343.11789	1.9
373.12848	3.3
401.09152	0.9
429.13428	1.5
443.11523	1.2
473.16370	6.2
503.17194	6.1
504.18372	0.9
521.18250	6.3
533.18304	1.5
551.08447	6.6
551.19244	9.6
551.25867	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	551.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56701	0.7
52.64085	0.9
54.57243	0.8
58.53741	0.8
59.01169	0.8
59.01394	9.1
61.98833	3.0
67.33621	0.9
69.89771	2.7
71.01381	2.2
83.01400	0.9
85.02946	2.2
87.04510	2.0
89.02473	1.1
101.02440	1.1
107.01391	1.9
108.02171	2.7
109.02999	1.0
116.49387	0.9
121.03057	0.9
123.00888	5.8
123.04506	1.3
124.01672	5.8
125.02463	10.3
126.02738	1.3
128.90149	1.6
134.03751	3.6
135.04535	2.5
136.05275	1.1
137.02431	1.4
139.00394	1.7
139.03912	1.0
147.04515	0.9
149.02446	1.4
150.03238	1.0
150.44049	0.8
151.00356	3.3
161.02441	1.6
161.40765	1.1
162.03238	93.7
163.04039	13.2
164.04802	8.6
168.00627	2.9
169.01427	12.9
175.03883	1.4
176.04819	2.1
177.05588	100.0
178.06070	3.6
179.07176	1.8
191.03506	2.0
192.04317	4.6
207.06650	17.0
210.05347	1.5
211.02496	7.8
219.06580	4.1
220.78563	0.9
237.07677	8.8
239.07022	1.7
240.04190	4.1
247.17065	2.5
255.06787	1.0
265.05121	1.2
266.05527	1.4
267.06488	4.2
271.04678	6.3
283.06119	1.1
295.06146	11.8
298.08484	3.3
300.99789	1.9
310.08621	5.6
313.10834	3.0
315.12350	1.7
325.10849	6.4
343.11835	7.6
347.86377	1.0
353.23407	6.0
373.12918	9.6
491.33792	3.5
551.24982	49.7
552.25415	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	551.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.4
69.03033	0.8
70.66052	1.3
70.66399	1.5
71.01365	1.1
85.02952	1.2
93.03461	3.7
103.00404	1.3
103.01517	4.3
108.02271	0.9
121.02948	2.2
122.03751	18.3
122.35406	0.8
123.00941	1.2
124.01660	1.3
125.02448	2.4
133.02959	1.7
136.01619	1.2
147.04501	1.0
149.02460	17.8
150.03241	97.5
151.00371	2.3
151.03616	2.0
162.03252	1.7
164.04788	3.0
165.05585	100.0
166.05914	2.0
169.01379	2.6
175.03995	7.5
176.04768	1.0
177.05530	1.3
178.99872	2.2
180.04321	6.2
190.06367	3.0
192.59074	0.9
195.06639	53.9
218.05820	3.2
222.05376	2.1
223.07620	1.2
235.07654	1.7
237.05554	1.5
239.07085	1.0
251.07167	2.1
263.07083	1.3
265.08713	1.5
266.09448	0.9
267.06702	5.7
270.98798	1.3
279.06656	14.7
281.08295	1.5
283.99677	1.3
286.68304	0.9
291.06668	6.8
292.07431	3.1
293.08237	2.7
294.05750	1.3
294.09027	3.0
295.06137	14.0
296.06870	1.9
298.98282	1.0
299.99060	4.3
305.08115	1.5
306.09128	6.4
307.06183	19.2
307.09579	1.6
308.06207	1.0
309.07742	3.5
310.08548	9.5
311.09204	2.0
322.08484	12.3
324.09906	2.9
325.10843	34.5
326.11227	1.3
328.98221	0.9
337.10846	45.8
338.11224	1.8
343.11789	1.9
373.12848	3.3
401.09152	0.9
429.13428	1.5
443.11523	1.2
473.16370	6.2
503.17194	6.1
504.18372	0.9
521.18250	6.3
533.18304	1.5
551.08447	6.6
551.19244	9.6
551.25867	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	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
62.85954	0.4
71.01374	1.3
73.02929	1.9
75.84134	0.4
83.01376	0.7
85.02960	0.7
89.02443	0.8
97.02952	0.8
97.06574	0.5
101.02438	1.1
107.05052	2.3
111.00880	0.6
113.02452	0.8
123.00881	2.1
124.01672	2.5
125.02469	3.3
134.03738	4.0
135.04541	100.0
136.04860	2.1
136.98885	0.6
139.00427	0.8
140.01222	0.6
141.02028	0.5
146.03757	4.1
151.00407	1.8
152.59966	0.5
155.10793	0.7
161.06104	1.5
164.04822	2.7
165.12883	3.5
168.00659	1.4
169.01445	5.2
179.03555	1.9
179.07175	5.3
183.13911	11.1
189.12991	0.7
196.66878	0.4
203.14606	0.8
207.13986	1.2
209.12010	0.7
221.15549	1.4
223.13615	0.5
227.12920	8.3
231.14006	1.3
233.11978	1.6
237.15109	0.6
244.21733	0.5
249.14970	2.2
251.12901	5.5
265.14462	2.7
269.03387	0.5
269.14087	1.0
275.12897	2.4
293.13983	16.5
294.14417	0.6
301.18091	1.2
311.15176	0.9
319.19446	1.4
341.08002	0.5
371.17184	6.9
373.73712	0.5
507.22388	5.4
544.07672	0.5
551.25476	18.8
552.25470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95301	0.4
53.07690	0.4
57.02887	0.4
59.01404	1.8
63.67126	0.4
65.28339	0.4
69.03471	0.4
70.39798	0.7
71.01410	1.2
72.99329	0.9
73.02963	0.9
73.53657	0.4
74.59760	0.4
79.05568	0.5
85.02942	0.5
91.30377	0.4
94.22038	0.5
95.59762	0.4
97.06673	0.4
98.22584	0.5
101.02488	0.6
107.05035	5.9
111.08160	0.5
117.03471	0.9
120.33261	0.4
122.03761	0.4
123.00846	0.5
123.04508	1.1
124.01669	0.7
125.02457	0.9
133.02954	0.6
134.03769	4.1
135.04541	100.0
136.04832	2.0
145.76820	0.4
151.00435	0.5
151.04051	2.0
161.02519	0.5
165.12885	3.2
165.53044	0.4
168.00607	0.5
169.01398	0.9
179.03513	14.6
183.13924	9.6
184.14195	0.4
197.04648	3.2
197.15533	0.6
207.13863	1.2
209.11754	0.7
211.10217	0.4
221.15518	1.0
227.12881	6.0
231.13742	0.8
233.11615	1.1
249.14807	1.4
251.12985	3.3
265.14481	2.0
269.13947	1.1
275.12784	1.7
293.13992	12.9
294.14139	0.7
299.98935	0.5
301.18100	3.7
311.14920	0.7
319.18887	1.5
341.08759	0.5
345.04535	0.4
370.11121	0.4
371.17084	5.8
507.21912	1.2
523.21259	0.6
533.19293	0.4
551.07422	1.0
551.20990	16.3
552.21106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58936	4.8
59.01385	100.0
61.98842	7.0
68.98345	5.1
69.74443	12.2
71.01392	27.8
73.02946	8.4
80.04504	5.1
85.02961	5.9
87.00909	16.7
89.02463	20.5
89.63092	6.3
92.06687	5.5
98.21997	9.0
101.02451	13.8
113.02467	10.5
121.03000	9.5
122.03706	7.5
125.02444	10.3
146.03764	11.4
152.01193	10.7
164.04802	8.3
165.05569	9.2
167.03522	14.0
169.01466	15.4
175.04045	6.0
179.07127	10.3
275.02124	7.8
347.15189	31.4
359.14923	36.3
491.19388	28.7
551.16028	19.6
551.27130	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	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58936	4.8
59.01385	100.0
61.98842	7.0
68.98345	5.1
69.74443	12.2
71.01392	27.8
73.02946	8.4
80.04504	5.1
85.02961	5.9
87.00909	16.7
89.02463	20.5
89.63092	6.3
92.06687	5.5
98.21997	9.0
101.02451	13.8
113.02467	10.5
121.03000	9.5
122.03706	7.5
125.02444	10.3
146.03764	11.4
152.01193	10.7
164.04802	8.3
165.05569	9.2
167.03522	14.0
169.01466	15.4
175.04045	6.0
179.07127	10.3
275.02124	7.8
347.15189	31.4
359.14923	36.3
491.19388	28.7
551.16028	19.6
551.27130	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	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	57.1
61.10242	6.9
69.39584	32.1
71.01384	36.5
73.02974	14.0
84.63093	7.5
85.02964	10.7
89.02466	22.7
93.68378	6.2
108.02174	43.9
109.02961	19.3
113.02435	8.6
121.02966	23.2
125.02493	7.5
135.87309	6.4
152.01190	95.1
161.02333	8.9
175.04027	12.0
193.71861	6.5
220.99355	7.3
250.89845	6.4
344.12827	33.4
359.14996	60.9
429.10495	34.7
491.19391	100.0
503.15619	11.2
551.14148	73.3
551.30750	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	551.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07463	3.3
58.11338	3.4
59.01386	31.1
61.98837	4.0
64.84542	3.1
66.00200	3.3
67.32496	3.5
69.18349	21.6
71.01395	7.0
80.01601	3.1
84.32497	3.4
85.02986	4.8
87.00855	4.7
89.73775	3.3
104.34827	3.4
108.02202	38.8
109.02961	11.0
116.95908	3.5
121.02972	22.3
152.01173	100.0
160.01608	9.9
163.04044	4.0
165.05551	4.9
175.04021	11.1
311.09207	4.1
337.09265	5.7
344.12500	6.4
359.15112	17.0
388.15179	5.0
389.15109	8.4
429.10474	33.1
440.28372	3.6
444.63220	3.7
491.19464	36.3
503.15558	15.6
551.13977	73.3
551.30988	5.5
552.14142	4.4
576.96350	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	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06331	2.5
59.01382	52.6
69.18413	11.6
71.01382	25.2
71.43013	2.5
85.02956	3.8
89.02446	50.3
101.02425	4.8
105.64008	2.6
106.74818	2.5
113.02467	9.3
117.40403	3.2
123.00871	3.8
125.02449	10.9
131.03508	8.8
135.95566	2.4
140.01157	3.1
145.02937	3.3
149.04558	11.6
160.42769	2.9
168.00618	3.3
169.01413	15.2
173.65863	2.9
207.79262	3.4
224.04672	3.5
240.59549	2.7
283.09735	26.1
295.09723	4.1
296.10428	5.6
298.12012	4.3
311.09265	63.8
325.10895	3.9
326.11615	48.5
341.13947	100.0
342.14194	3.5
399.13019	5.5
415.81604	3.6
519.07867	3.5
551.14288	28.6
551.30817	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	551.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.0
61.98834	0.6
66.99603	0.3
69.03455	0.4
69.38194	0.7
69.38603	0.9
71.01382	1.6
73.02952	1.1
83.01391	0.6
85.02979	0.4
89.02427	0.3
95.01377	0.4
101.02435	1.1
107.01424	0.3
107.05027	2.2
108.02194	0.4
111.08176	0.6
113.02457	0.6
117.03457	0.3
117.47769	0.3
122.03715	0.4
123.00900	1.4
124.01675	1.1
125.02459	2.2
133.10172	0.3
134.03748	3.4
135.04539	100.0
136.04829	1.9
140.01164	0.4
151.00374	0.8
161.04372	0.3
165.12868	3.1
167.03505	0.3
168.00661	0.7
169.01462	3.3
177.04051	0.6
179.03511	3.5
183.13902	8.9
184.14340	0.3
186.03093	0.3
187.72844	0.3
189.12912	0.6
203.14458	0.4
206.02383	0.3
207.13947	1.0
208.14073	0.3
209.11966	0.3
211.02576	1.1
212.02773	0.3
221.15524	1.2
223.13449	0.3
227.12927	5.8
227.16443	0.3
231.14001	0.7
233.11780	1.6
237.15051	0.5
241.14496	0.3
249.15034	1.2
251.12885	3.8
265.12015	0.4
265.14410	1.9
266.51917	0.3
269.14050	0.4
270.99026	0.4
271.04614	0.7
275.12909	1.8
293.13980	13.4
294.14337	0.4
299.99014	0.5
301.18103	1.3
311.15161	0.6
319.19171	0.9
353.16138	0.3
361.20233	0.5
371.17053	4.4
491.30139	0.4
507.22397	3.5
508.23376	0.3
531.39636	0.3
551.08612	2.1
551.25262	8.8
552.25018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21682	1.2
59.01385	26.0
69.01273	1.1
69.12157	7.0
71.01395	15.2
73.02947	4.9
74.12646	1.1
83.01389	1.8
85.02954	3.4
87.00884	5.1
89.02451	11.6
94.52503	1.3
95.01378	1.8
97.02954	1.3
98.22622	2.4
101.02447	13.0
107.01410	1.9
111.08113	1.6
113.02463	8.0
119.03510	2.9
123.00895	4.6
124.01649	3.5
125.02453	5.8
125.59193	1.2
131.03477	1.4
137.02499	1.3
141.01895	1.9
143.03558	1.4
147.50969	1.1
149.47760	1.2
151.00374	2.6
161.02498	1.6
161.04578	2.5
165.12871	36.1
169.01482	6.0
179.14459	1.3
183.13914	100.0
184.14287	1.8
197.15466	15.4
207.13898	4.9
209.11804	10.7
225.14951	8.7
227.12909	97.5
228.13234	2.9
229.26024	1.3
242.35609	1.5
251.12878	4.2
269.13953	12.3
287.01215	1.3
299.14960	10.9
329.16107	36.3
330.16327	1.5
331.81845	1.1
341.10822	2.2
355.12762	1.3
389.05298	1.7
389.18213	69.7
390.18182	2.2
537.80573	1.4
551.23950	57.6
552.24146	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	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01383	48.5
60.28770	1.8
60.99308	12.3
61.98826	11.5
69.03448	2.2
69.21163	13.4
71.01395	12.2
73.02941	7.4
75.00863	3.6
78.59368	2.0
83.01401	3.0
83.05066	1.9
85.02949	4.8
86.30241	1.9
87.00873	6.9
88.98814	100.0
89.02450	8.8
91.47455	2.2
95.01376	3.7
97.02966	3.0
99.00848	2.5
101.02435	7.0
106.21030	2.0
107.01397	8.5
111.00892	2.9
113.02445	5.6
117.03474	2.4
119.05006	3.3
121.02939	2.8
123.00883	12.4
124.01720	11.2
125.02460	29.5
133.02977	6.2
135.04512	4.9
137.02556	2.7
139.00400	2.1
145.02954	14.3
147.04568	2.6
149.99585	5.7
151.00331	6.9
161.02458	15.4
163.04027	4.1
168.00655	15.2
169.01465	33.5
177.01924	4.2
179.05695	2.6
183.13884	3.6
211.02414	5.3
227.12898	5.5
263.16473	3.3
271.04510	5.2
289.07144	2.9
296.13385	2.7
299.99173	2.2
313.05524	2.5
331.03534	2.3
380.80286	2.0
389.19241	2.7
399.12854	7.3
514.45740	2.1
551.13940	32.0
551.23676	29.6
551.31085	13.7
552.14575	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	1.5
59.01385	30.4
61.98832	3.3
67.01894	1.1
71.01398	2.5
73.02952	1.4
79.10275	0.7
80.36872	0.7
81.91000	0.6
83.01406	0.7
85.02980	2.3
85.89194	0.7
86.04938	0.8
87.41695	0.8
89.02438	1.4
95.01389	1.8
95.05088	0.9
98.21905	2.6
101.02440	2.0
107.01389	3.9
111.00883	2.4
113.02460	1.0
115.48163	0.8
121.02977	1.4
121.48499	0.7
122.03740	4.1
123.00906	10.5
124.01685	8.7
125.02459	16.1
127.59557	0.9
136.98811	0.8
139.00375	2.2
139.04138	0.9
139.10318	0.7
139.11311	0.8
140.01178	2.4
141.01973	1.9
149.02470	4.5
150.03255	19.3
151.00375	8.3
151.03828	1.0
153.01985	1.0
165.01959	0.9
165.05579	18.8
168.00641	5.5
169.01434	24.2
170.35965	0.8
175.04001	1.4
176.35570	0.8
178.99867	1.5
180.04353	0.9
183.10280	0.9
195.06645	10.8
211.02493	12.7
214.12379	0.7
235.07657	0.8
237.05849	1.1
267.06717	1.6
270.98886	1.3
271.04623	9.7
279.06641	3.2
293.08130	1.1
294.08929	1.3
295.06223	3.3
298.98502	2.4
299.99094	3.6
301.00015	0.9
305.37695	0.8
306.09106	1.7
307.06198	4.5
307.09085	0.8
309.08054	0.9
310.08585	2.1
311.09036	0.8
313.05811	1.0
322.08575	2.9
325.10776	7.1
328.09167	0.9
337.10883	10.6
473.16336	1.2
491.30399	2.1
495.08685	0.8
503.17444	2.1
515.30591	1.4
521.18237	1.7
551.08539	5.5
551.25134	100.0
552.07794	0.8
552.25439	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	551.2503
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
51.31532	1.3
53.55138	1.3
59.01386	9.1
61.70047	1.3
61.98830	1.4
71.01386	4.1
79.01881	1.3
80.40502	1.4
89.02437	1.8
95.01403	2.3
97.17213	1.4
101.02441	1.5
107.01390	9.6
111.00909	3.3
123.00913	14.9
124.01691	10.8
125.02462	35.8
134.90514	1.4
139.00349	4.3
140.01164	6.0
141.01945	2.5
151.00401	8.8
168.00667	4.3
169.01443	52.1
211.02599	2.3
227.95595	1.4
348.94971	1.4
551.25049	100.0
552.25122	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	551.2503
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
53.20671	0.3
55.01884	0.4
59.01388	3.0
61.98825	0.6
67.01887	1.1
69.03448	0.6
69.73061	0.3
71.01388	2.5
73.02956	1.0
79.01891	1.0
83.01389	1.0
83.05058	0.3
85.02978	1.5
87.00905	0.5
89.02462	0.7
92.55539	0.4
95.01392	1.7
96.95989	0.3
97.02961	1.3
99.00900	0.4
100.24448	0.3
101.02458	1.7
107.01405	4.4
111.00909	1.8
113.02450	0.6
123.00895	15.9
124.01681	8.1
125.02462	16.6
126.02794	0.4
127.00394	0.7
136.98804	1.3
139.00371	3.1
140.01193	2.9
141.01984	3.0
150.07867	0.3
150.82735	0.3
151.00397	9.5
153.01955	0.5
163.04108	0.6
165.01936	0.3
168.00652	4.4
169.01439	20.4
179.03545	0.3
209.11739	0.5
211.02519	3.9
223.13423	1.1
225.08022	0.3
242.89856	0.3
270.98984	0.3
271.04617	3.7
297.00296	0.6
298.98413	0.3
299.99240	0.4
313.05734	1.1
336.99899	0.9
375.24191	0.3
393.02652	0.6
428.16992	0.3
483.18726	0.4
551.08508	6.0
551.25012	100.0
552.08496	0.5
552.25458	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	551.2502
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
52.90467	0.3
57.01292	0.2
57.03439	0.4
59.01384	3.4
61.98825	0.5
66.91024	0.3
67.01883	0.7
69.03451	0.5
69.90666	0.7
71.01386	2.7
72.99313	0.5
73.02947	0.4
79.01885	0.8
80.47869	0.3
82.00603	0.7
83.01398	0.5
85.02956	1.1
87.00903	0.4
89.02474	0.6
95.01396	2.2
97.02959	0.9
99.00890	0.3
101.02467	1.6
101.06006	0.3
107.00735	0.3
107.01411	4.2
111.00880	2.3
113.02453	0.8
123.00902	16.1
124.01682	10.8
125.02462	16.8
126.02783	0.4
127.00377	0.9
129.01909	0.3
136.98827	1.6
137.02521	0.4
138.03209	0.3
139.00383	3.3
140.01183	3.4
141.01981	2.8
151.00388	9.5
151.03998	0.3
153.01878	0.7
163.04005	0.6
168.00671	7.1
169.01443	23.9
177.04134	1.3
177.05414	0.4
182.93793	0.3
211.02486	3.2
223.02486	0.3
253.03551	0.4
265.12674	0.3
270.03854	0.5
271.04617	1.0
300.99988	0.2
313.05743	1.5
329.05173	0.4
389.15817	0.4
410.38538	0.3
455.73813	0.3
551.25031	100.0
552.25342	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2504
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
55.01877	0.4
59.01127	0.4
59.01394	4.7
65.29826	0.3
70.58654	0.7
71.01385	2.6
71.04997	0.3
73.02960	0.9
83.01402	0.4
85.02969	1.2
87.00906	0.6
89.02479	0.9
101.02465	1.5
105.03412	0.4
109.02989	0.4
113.02477	1.0
117.03484	1.5
118.19834	0.3
119.03493	0.4
121.03030	0.5
123.00922	0.8
124.01672	0.9
125.02464	1.1
132.02182	1.9
133.02968	31.1
134.03729	0.8
135.04538	7.8
139.07632	0.4
151.00427	0.4
155.10779	1.2
161.02458	100.0
162.02808	1.5
168.00618	0.7
169.01433	1.4
179.03508	3.9
203.03703	0.4
227.16576	0.5
271.04630	0.4
389.25598	0.4
399.12991	1.8
401.16183	0.6
403.12628	0.5
551.24988	71.8
552.25391	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	551.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03448	1.0
59.01386	4.3
61.67385	0.6
61.98834	0.7
63.05649	0.8
65.69501	0.7
67.73795	0.6
71.01376	3.3
71.44254	0.9
72.99297	1.1
73.02946	1.2
75.00888	0.8
79.01880	1.3
83.01405	1.6
85.02954	1.4
95.01408	1.3
97.02935	0.8
101.02415	1.7
107.01392	3.2
111.00897	2.4
123.00896	14.3
124.01683	12.6
125.02457	19.0
127.00364	0.9
130.44371	0.6
132.61540	0.7
134.03767	2.6
136.98825	1.7
139.00365	3.2
140.01149	3.6
141.01933	2.1
146.03775	0.8
149.06093	0.9
151.00385	9.2
153.01950	1.3
154.99843	0.7
165.05630	0.7
168.00668	8.8
168.99989	1.2
169.01431	23.0
177.04015	2.0
178.02786	0.8
179.07062	0.9
183.92401	0.7
193.05017	3.4
211.02518	3.0
235.43831	0.7
313.05618	1.3
329.05060	1.2
363.29724	0.7
551.25024	100.0
552.25677	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	551.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	1.5
59.01385	30.4
61.98832	3.3
67.01894	1.1
71.01398	2.5
73.02952	1.4
79.10275	0.7
80.36872	0.7
81.91000	0.6
83.01406	0.7
85.02980	2.3
85.89194	0.7
86.04938	0.8
87.41695	0.8
89.02438	1.4
95.01389	1.8
95.05088	0.9
98.21905	2.6
101.02440	2.0
107.01389	3.9
111.00883	2.4
113.02460	1.0
115.48163	0.8
121.02977	1.4
121.48499	0.7
122.03740	4.1
123.00906	10.5
124.01685	8.7
125.02459	16.1
127.59557	0.9
136.98811	0.8
139.00375	2.2
139.04138	0.9
139.10318	0.7
139.11311	0.8
140.01178	2.4
141.01973	1.9
149.02470	4.5
150.03255	19.3
151.00375	8.3
151.03828	1.0
153.01985	1.0
165.01959	0.9
165.05579	18.8
168.00641	5.5
169.01434	24.2
170.35965	0.8
175.04001	1.4
176.35570	0.8
178.99867	1.5
180.04353	0.9
183.10280	0.9
195.06645	10.8
211.02493	12.7
214.12379	0.7
235.07657	0.8
237.05849	1.1
267.06717	1.6
270.98886	1.3
271.04623	9.7
279.06641	3.2
293.08130	1.1
294.08929	1.3
295.06223	3.3
298.98502	2.4
299.99094	3.6
301.00015	0.9
305.37695	0.8
306.09106	1.7
307.06198	4.5
307.09085	0.8
309.08054	0.9
310.08585	2.1
311.09036	0.8
313.05811	1.0
322.08575	2.9
325.10776	7.1
328.09167	0.9
337.10883	10.6
473.16336	1.2
491.30399	2.1
495.08685	0.8
503.17444	2.1
515.30591	1.4
521.18237	1.7
551.08539	5.5
551.25134	100.0
552.07794	0.8
552.25439	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	551.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95654	8.8
59.01377	17.5
65.26314	10.3
69.14611	57.6
71.01376	18.9
78.81857	9.2
101.02439	12.8
123.00813	17.5
125.02450	26.6
126.81260	12.5
130.21527	8.1
138.03000	9.8
161.04533	8.3
169.01442	27.6
219.00993	10.6
232.02814	10.6
299.99274	12.3
336.99719	21.1
469.29565	73.0
515.28534	78.4
551.08167	63.0
551.24323	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	551.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91823	14.0
58.41521	16.1
59.10809	13.8
59.11664	13.8
65.98779	13.4
69.15662	100.0
77.36931	13.4
78.95905	18.1
79.95953	12.1
136.08975	14.1
138.47534	12.7
146.01247	14.2
180.46049	16.3
184.11241	16.0
304.06302	18.2
434.91812	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	551.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	1.3
69.11459	2.4
69.11866	7.3
71.05039	1.5
103.10744	1.5
201.11349	2.2
230.41235	1.4
260.40182	1.4
289.95071	1.5
293.21365	1.5
404.52533	1.5
469.33286	100.0
470.33868	6.0
507.93713	1.3
513.52191	1.5
551.08417	2.1
551.33685	56.5
552.33716	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	551.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
61.98834	0.9
63.23017	0.7
71.05037	0.7
73.66213	0.8
74.72024	0.7
75.29123	0.6
78.46126	0.7
92.20934	0.8
96.96059	1.0
99.80811	0.7
100.67590	0.7
170.35493	0.8
387.98666	0.7
405.31668	1.1
469.33261	100.0
470.33649	7.6
548.75891	0.8
551.33594	57.4
552.34027	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65182	1.5
58.03808	1.5
59.01385	10.5
68.10448	1.9
70.32974	2.0
70.33299	2.8
74.86517	1.7
98.21929	2.9
101.02435	2.9
102.50010	1.7
144.90240	1.6
227.77953	1.5
232.15105	1.6
235.08315	2.6
253.09392	12.0
255.23312	100.0
256.23669	2.9
457.83383	1.9
469.32892	2.0
517.88196	1.7
551.34058	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	551.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	0.4
61.98825	0.4
64.75052	0.2
68.77695	0.2
69.06744	1.6
85.02973	0.9
88.72621	0.2
89.82252	0.3
92.71018	0.2
94.64528	0.2
98.21805	0.4
108.02247	0.4
120.51778	0.2
124.01691	0.3
125.02538	0.3
150.03310	0.2
162.03270	2.1
162.44986	0.2
165.05591	0.3
169.01410	0.3
177.02020	0.6
177.05573	1.9
192.04372	0.5
207.06711	0.9
213.05498	0.2
215.91241	0.2
225.05630	0.7
233.15601	0.3
240.07990	0.5
256.07465	0.3
271.09821	1.0
286.47906	0.3
301.10992	0.3
301.18225	0.6
319.19354	0.7
383.59406	0.2
440.67786	0.2
491.33896	5.9
491.40472	0.4
492.34399	0.3
551.25372	1.2
551.36414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	5.3
59.01388	100.0
65.57087	5.1
65.63638	5.0
69.08333	9.0
69.08732	31.5
71.01385	55.3
71.47429	5.1
75.60815	5.2
76.53006	4.8
85.02932	12.3
89.02457	75.5
101.02451	11.7
104.89748	5.4
109.88421	6.2
113.02469	13.1
119.03596	5.4
121.02986	8.1
123.00864	8.7
131.03529	11.3
135.44626	5.2
144.36818	5.3
149.04608	28.9
149.79109	6.5
162.03233	72.4
166.06337	17.0
169.01454	7.9
177.05585	71.8
181.08643	10.5
195.06659	6.7
201.06470	5.6
273.14951	7.1
372.11658	6.3
373.20032	7.1
391.21289	42.9
416.08722	5.8
420.17523	14.5
539.05670	7.2
552.21704	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.1
71.41084	6.2
81.03467	5.3
83.05057	7.2
109.06566	11.6
123.62595	5.2
163.11276	8.2
169.01379	8.0
181.12396	8.0
185.11940	10.6
207.10262	31.1
209.11852	100.0
225.11267	24.4
227.12917	18.2
298.47021	5.7
299.14990	8.2
399.21802	6.1
473.25702	27.9
491.26605	12.3
552.08307	11.2
552.25580	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	553.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98142	1.2
59.01364	4.3
64.34724	1.1
69.72347	4.2
71.01381	4.7
73.02940	1.3
73.90801	1.0
75.08241	1.2
79.01858	1.6
83.01407	1.6
84.95116	1.8
85.02959	2.1
87.00887	1.7
89.02446	2.4
95.01393	2.5
96.96038	2.6
98.22597	1.6
101.02429	3.0
107.01398	10.5
107.05036	8.2
111.00896	1.4
113.02436	3.6
123.00903	17.3
124.01668	9.2
125.02469	56.5
128.58295	1.2
131.05023	4.1
133.06631	7.1
134.03702	1.2
135.04514	5.0
139.00360	3.2
140.01128	2.5
141.01955	2.8
149.06099	3.9
151.00385	10.4
158.03786	1.2
159.04248	1.1
168.00555	3.3
169.01448	72.3
170.01765	1.9
177.05598	6.8
195.06630	3.4
202.90213	1.2
203.03560	10.5
211.02448	3.3
229.01358	1.6
271.04669	1.8
275.01874	3.5
300.99802	5.5
313.05716	31.9
341.08426	2.0
391.29572	1.3
401.10837	6.8
421.11282	6.0
449.10956	7.8
459.03729	1.6
463.12643	8.6
473.11206	3.2
491.11896	3.9
493.09967	15.3
517.09814	19.6
518.09814	1.5
553.11945	100.0
554.12134	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	553.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17578	1.9
63.33355	2.6
63.94690	2.4
66.54997	1.7
69.28474	4.5
69.28864	5.3
69.50146	2.2
73.94482	2.0
84.99117	2.1
87.00899	11.6
93.30715	2.2
123.04533	62.4
125.02470	2.6
135.02989	4.3
147.60406	2.3
149.06090	13.1
150.03256	2.8
165.05545	10.4
193.05084	12.3
194.13757	2.2
195.03050	15.2
255.02417	4.8
255.05113	100.0
256.05389	4.8
257.05670	2.6
300.99896	9.3
322.98120	2.3
368.77759	2.5
433.13477	2.5
454.96603	4.0
507.45978	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	553.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79990	0.4
53.61760	0.4
56.68781	0.5
59.01440	3.8
61.18619	0.5
69.03519	0.7
70.15338	1.0
71.01463	2.0
73.03008	1.1
76.85137	0.5
81.03535	0.9
82.06561	0.4
85.03051	1.6
87.00959	0.5
88.98347	0.5
88.98896	1.0
89.02505	1.1
97.03039	1.1
99.00919	0.5
100.89634	0.5
101.02551	0.9
105.03543	0.9
107.01389	6.0
109.03022	1.1
113.02553	0.9
123.00885	2.5
124.01777	1.9
125.02458	32.3
126.02878	0.6
135.04672	0.7
137.02483	1.1
139.00381	0.5
139.04091	0.5
149.02559	1.0
151.00516	1.3
151.04105	1.1
152.04822	0.5
153.05611	0.7
160.01741	0.5
161.02463	12.7
161.04588	0.6
166.71954	0.5
168.00795	0.9
169.01437	27.4
170.01897	0.7
177.02040	0.9
178.02895	0.8
179.03513	2.3
180.08072	1.5
181.05165	1.0
193.01436	10.2
205.01579	1.3
211.02505	0.7
214.02855	0.9
221.01102	0.7
223.02597	1.9
227.03606	0.6
228.04353	1.2
229.05128	0.6
230.02293	0.6
240.04497	0.7
241.01472	0.5
242.02493	0.5
243.03069	1.1
244.03773	0.6
245.04572	0.9
255.03163	1.0
256.03882	1.7
257.04333	0.7
258.01779	3.0
259.02521	1.3
260.07138	0.7
271.02499	1.7
272.03378	3.4
273.04092	5.0
273.15054	1.1
274.04791	1.1
275.09332	0.8
281.04764	0.7
283.06210	0.9
284.03436	2.5
284.06372	0.4
286.04883	1.0
287.05627	3.6
288.06430	7.6
289.07101	1.6
296.06992	0.6
299.05664	7.1
300.06161	0.9
301.00101	0.7
301.07175	1.2
302.04819	0.5
302.08078	2.1
303.08768	6.8
313.70477	0.5
314.08047	3.9
315.08676	0.5
316.02405	1.6
317.02985	0.7
317.06723	1.0
317.10400	4.1
329.10324	14.7
331.04593	4.1
331.08112	0.9
333.06149	1.6
347.11304	4.3
361.05399	0.7
361.09412	1.4
361.16464	0.8
373.09171	1.3
373.20502	0.8
376.08282	1.0
390.09625	1.5
391.10370	100.0
391.17053	4.5
391.21445	3.1
392.10590	4.2
553.15558	38.4
553.30029	0.9
554.16125	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	553.1568
Annotation	Arillanin G
Peak:m/z	Relative Intensity
55.01876	0.5
55.06123	0.4
59.01386	4.9
61.98840	2.2
65.00334	0.5
67.01897	0.8
69.03461	1.0
69.50804	1.8
71.01386	2.2
73.02951	0.8
78.95563	0.4
79.01919	1.0
79.28033	0.4
81.03455	0.9
82.00546	0.4
83.01394	0.7
85.02953	1.1
86.00085	0.6
87.00872	0.4
89.02444	1.2
95.01405	2.2
97.02939	1.0
99.00903	0.4
101.02449	1.2
107.01405	7.7
107.05125	0.4
111.00880	1.7
113.02451	1.0
113.06016	0.6
119.20265	0.3
123.00906	11.6
124.01687	14.0
125.02466	31.3
126.02784	0.6
127.00369	0.9
134.03723	0.5
135.04541	0.6
136.98813	1.5
137.02443	0.6
139.00394	3.3
140.01170	3.3
141.01938	2.2
143.03497	0.4
151.00391	7.8
151.04019	0.5
153.01942	0.8
155.10764	0.6
160.01514	0.5
161.02405	0.6
163.03949	0.5
165.05528	0.5
166.99927	0.6
168.00664	7.0
169.01443	34.4
170.01726	0.6
179.03606	1.0
181.01515	0.5
181.05042	0.5
193.05048	0.7
203.33559	0.4
209.08205	0.7
211.02457	1.0
237.04005	0.6
300.99954	1.0
313.05899	0.7
367.13687	0.7
383.13480	5.7
401.14563	21.7
402.14734	0.8
420.41788	0.4
492.33694	0.6
534.33075	0.5
553.15686	100.0
554.16040	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	553.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09214	0.7
59.01388	9.7
61.98828	2.3
67.24195	0.7
69.52357	1.6
69.52752	1.2
71.01392	1.7
72.97872	0.6
76.75096	0.6
81.73508	0.7
83.01385	0.8
85.02947	0.8
88.48959	0.7
93.03473	1.2
101.02431	1.3
107.01425	1.7
108.02187	1.3
111.00925	0.8
113.02457	2.2
119.05057	1.6
121.02966	7.3
122.03759	4.9
123.00928	1.9
123.04540	5.3
123.38801	0.8
124.01644	0.9
125.02486	6.9
132.02130	0.8
133.02965	2.4
134.03781	1.5
135.04506	4.3
136.05309	15.9
137.02458	0.8
137.06081	2.6
147.04520	1.1
148.01666	1.0
149.02457	15.5
149.04521	0.9
149.06155	1.4
150.03241	53.0
151.04036	13.4
151.07634	2.0
152.04559	0.6
155.05914	0.7
161.02469	0.8
162.03339	0.8
164.04829	5.1
165.05580	28.7
166.05981	0.8
168.00729	0.9
169.01450	7.0
180.04303	2.5
181.05096	7.6
193.01468	0.9
195.06639	36.4
196.07076	0.8
209.04533	1.1
211.02493	1.9
230.24416	0.7
237.07962	0.9
239.05493	0.8
241.08588	1.0
257.00818	0.7
269.08279	1.1
271.04556	2.2
275.01883	0.8
283.09805	4.7
284.10556	1.9
297.03101	0.8
300.99969	1.1
311.09317	8.5
313.05585	1.5
325.10846	2.0
335.67001	0.7
343.11887	74.4
344.12289	3.9
367.11792	4.5
385.12946	1.2
391.14014	100.0
392.14313	4.9
415.14111	0.9
433.15186	1.0
464.58301	0.7
483.07852	2.1
535.14435	0.8
553.18726	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	553.2086
Annotation	threo-Carolignan K
Peak:m/z	Relative Intensity
53.68567	0.9
70.74016	2.3
70.99814	0.9
77.04003	1.4
77.54449	1.1
93.03439	4.6
95.05054	2.1
105.03477	5.2
108.02188	1.8
111.62063	0.8
112.74648	0.9
117.03469	1.2
119.05018	2.6
121.02987	4.4
121.19305	0.9
122.03746	15.8
123.04530	3.6
123.09706	0.9
132.02185	5.0
133.02974	34.7
134.03760	21.0
135.04549	24.7
136.01672	2.7
137.02470	1.8
145.02933	1.5
146.03740	1.3
147.04536	5.0
148.05331	10.6
149.02455	23.1
149.06087	6.4
150.03242	100.0
151.04047	6.5
160.01677	11.4
161.02457	9.7
161.06084	2.6
162.03281	2.5
163.04106	1.0
164.04803	4.4
165.05579	82.5
166.05867	1.6
175.04019	23.8
177.01880	1.3
178.02774	3.2
179.03511	17.9
179.07153	1.1
180.04301	8.2
181.05096	3.3
193.05063	10.0
193.67235	1.0
195.06635	31.6
207.06697	1.9
234.97102	1.0
244.46718	0.9
252.08195	1.4
313.10983	1.2
325.10745	1.5
327.08527	1.0
328.09454	1.3
329.14035	1.5
341.10156	1.2
342.11029	14.6
343.07959	1.6
343.11874	18.6
343.96744	1.0
344.11899	2.1
355.11874	2.6
356.12622	12.3
357.13455	59.1
358.13721	2.5
409.79266	1.1
411.14191	3.0
445.67502	1.1
457.88272	1.0
490.16376	2.8
505.18719	85.7
506.18823	5.7
517.18652	2.3
535.19794	7.8
553.20782	20.7
554.21033	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	553.2086
Annotation	threo-Carolignan K
Peak:m/z	Relative Intensity
62.32193	2.4
68.34890	2.6
77.63101	2.7
77.66427	2.6
93.03459	2.9
94.15406	2.5
98.21851	8.2
105.03476	6.1
108.05976	3.3
115.22363	3.0
121.02954	4.6
122.03762	18.3
123.04547	5.5
132.02180	6.9
133.02962	33.6
134.03731	16.6
135.04527	20.3
147.04482	4.6
148.05305	10.6
149.02452	16.8
149.06091	10.1
150.03249	100.0
151.03998	3.2
160.01663	9.5
161.02472	7.6
165.05582	82.6
166.05995	3.8
175.04007	21.5
179.03491	18.2
180.04211	7.3
181.05095	4.0
185.43007	3.2
193.05032	8.8
195.06662	34.5
244.02596	2.8
255.70793	2.7
315.26120	3.1
342.10910	10.3
343.11890	15.2
354.49283	3.9
356.12662	11.4
357.13489	56.3
358.13760	4.1
505.18716	78.7
506.18887	3.9
509.99121	3.4
535.19891	7.6
553.20795	19.9
554.21661	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	553.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
59.01391	9.9
61.98832	8.9
68.99811	4.2
69.52335	3.6
69.52718	3.4
71.01393	1.8
83.01387	2.2
89.42379	1.5
93.03447	5.7
97.02983	1.7
98.45673	1.5
107.05045	3.6
108.02183	11.6
109.02933	2.2
117.03476	2.1
121.02971	22.1
122.03763	23.4
123.00900	5.2
123.04566	12.2
124.01653	2.7
125.02455	27.9
132.02193	2.8
133.02954	3.7
134.03749	6.4
135.04552	27.3
136.01694	23.3
136.05312	2.4
137.02470	14.8
139.04005	2.3
145.03059	1.8
146.03761	16.2
147.04480	5.8
149.02457	47.8
149.06087	4.1
150.03239	88.0
151.04034	27.1
153.05539	2.3
160.05261	3.3
161.02397	5.1
161.06105	8.5
162.03239	15.0
163.04037	9.0
164.04831	20.2
165.05586	79.4
169.01465	3.1
173.06183	2.0
175.04057	11.8
175.07658	4.0
176.04901	2.3
177.05574	23.8
178.02699	8.2
179.03450	2.8
179.07149	27.2
180.04263	4.9
189.05586	6.7
190.06342	13.4
191.07010	2.4
193.05087	11.3
194.05817	2.3
195.06630	35.1
196.06972	1.6
197.06049	6.9
205.08803	2.4
209.08234	2.6
213.05612	5.0
225.05611	34.0
226.06360	5.9
237.07700	6.0
240.04279	3.2
240.07930	25.4
241.05127	12.7
241.07224	1.6
241.08530	3.6
241.58301	1.4
252.04259	2.2
255.06746	4.1
256.07452	12.2
267.06610	3.5
271.09793	37.6
273.11456	2.7
279.06396	1.6
283.09903	1.9
299.09274	6.3
299.39908	1.7
301.10916	8.9
303.12415	30.6
311.09335	2.2
313.10947	2.5
327.12357	6.7
329.14066	2.2
343.11902	10.7
357.13492	21.7
369.13409	2.4
373.12689	1.7
412.73862	1.8
475.17874	10.0
493.18597	4.3
505.18726	100.0
506.19101	7.4
523.19653	19.6
553.20667	18.7
554.20636	2.3
580.89484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	4.4
61.98816	2.1
68.99830	4.3
69.12794	5.8
93.03480	4.5
105.01952	5.2
108.02187	16.4
109.02953	3.5
121.02962	8.8
122.03755	16.8
123.00888	2.2
123.04538	11.5
124.01653	1.7
125.02442	1.2
132.02139	2.5
133.02966	2.4
134.03796	1.5
135.04533	1.2
136.00725	1.2
136.01677	13.0
137.02505	1.6
138.03223	1.6
147.04523	2.1
148.01668	1.8
149.02452	18.0
150.03244	100.0
151.04031	14.2
153.05621	1.3
161.02449	2.0
162.03230	5.8
163.04027	3.0
164.04778	3.9
165.05588	88.5
165.28018	0.8
166.05975	1.8
175.04010	2.9
177.05583	8.4
178.02725	20.2
179.03340	1.3
180.04332	6.1
190.06319	2.9
193.05075	21.9
194.05699	2.7
195.06644	48.5
269.08170	4.1
273.11676	1.0
275.59619	0.9
283.09763	1.3
299.09262	4.7
306.45895	0.8
311.09311	5.0
314.11618	6.1
318.38559	0.9
326.11713	3.0
327.12549	4.4
329.13968	7.3
339.78363	1.0
341.13922	2.6
343.11948	2.1
357.13492	8.4
366.10623	1.1
381.13629	4.8
475.17590	1.5
505.18701	9.5
523.19611	3.1
553.20819	29.5
554.21210	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	553.2088
Annotation	threo-Carolignan K
Peak:m/z	Relative Intensity
58.83510	1.1
59.01377	2.0
60.87598	0.9
61.98798	2.2
70.67178	1.3
77.12566	1.1
89.51572	1.0
108.67866	1.0
111.00842	1.4
113.41930	1.1
115.33064	1.0
117.03423	3.9
119.04987	1.5
121.02157	1.0
121.02950	7.5
123.00829	3.8
124.01626	1.8
125.02397	4.5
132.02177	8.5
133.02921	2.8
134.03758	91.1
135.04503	1.4
136.01610	2.6
137.02357	4.2
139.10152	1.0
140.81010	1.1
149.06111	23.3
150.03137	3.1
151.00337	2.6
151.03937	1.8
160.01668	31.3
161.02328	2.8
162.03154	3.2
165.05460	2.2
166.06380	22.9
169.01317	4.6
175.04022	30.1
176.04579	1.0
177.05510	1.5
178.02725	27.5
181.08739	6.4
192.04147	3.0
193.05078	100.0
194.05370	2.1
207.06493	1.4
321.33707	1.0
327.12143	2.0
371.11038	2.6
480.71002	1.0
538.17682	1.2
553.20105	43.8
553.26251	5.3
554.20062	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	553.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89133	0.9
59.01389	8.6
61.98809	1.0
69.14144	5.9
71.01374	6.0
73.02956	2.2
73.99789	0.9
81.77724	0.9
85.02940	2.7
87.04522	2.8
89.02445	4.5
93.30908	0.9
93.85691	0.9
95.01389	1.4
97.02953	1.0
101.02441	4.3
107.01385	9.2
111.00917	1.1
113.02473	2.3
119.03510	2.0
123.00898	9.9
124.01662	4.2
125.02459	29.1
128.23033	0.9
135.04536	11.6
137.02455	5.8
139.00349	3.0
143.03511	0.9
147.04498	1.8
149.06070	3.1
150.03157	1.1
151.00349	4.0
151.03989	3.8
152.04816	6.4
153.01927	1.0
160.05145	1.0
161.02455	3.8
161.04642	1.1
161.06075	4.6
163.04007	2.3
166.06308	1.7
169.01442	32.4
179.07149	6.6
180.07942	25.8
182.05821	2.1
190.06348	0.9
191.07101	1.0
192.07939	6.9
193.08669	3.7
194.05824	4.7
194.09447	2.9
195.06561	3.4
209.08083	1.1
210.08957	1.2
212.06998	4.7
226.08437	1.5
271.04681	1.3
300.99780	1.1
311.09152	1.7
327.12198	1.3
328.09595	4.6
343.11740	3.4
346.14139	3.2
358.14334	7.7
361.16476	10.4
373.16577	6.8
391.10471	7.0
391.17593	100.0
392.18008	5.4
493.27927	1.2
509.31113	1.5
510.31458	3.7
511.29034	2.9
553.15558	48.3
554.15930	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	553.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05254	0.9
53.36855	1.1
57.03436	3.4
59.01379	9.2
68.06438	1.2
69.03463	2.4
69.35937	5.2
70.49672	1.1
71.01375	6.0
73.02947	4.5
81.03417	2.0
85.02956	12.0
87.04522	3.6
88.98813	1.2
89.02449	3.5
95.01440	1.8
96.95982	1.9
97.06592	1.8
98.22633	2.2
99.04485	1.2
101.02446	3.6
101.06070	3.2
107.01397	23.3
109.02946	1.1
113.02432	2.8
113.23591	1.2
123.00886	6.6
124.01630	3.1
125.02460	57.8
125.06071	1.5
125.67546	1.3
137.02533	1.4
137.86369	1.0
138.03252	1.1
149.02473	1.6
151.00398	2.9
161.02457	7.1
168.00615	2.2
169.01443	72.7
170.01773	1.9
179.03490	1.7
181.01468	1.2
184.28258	1.0
193.01454	6.1
205.01289	1.5
221.09698	3.9
221.11728	1.2
223.02567	1.2
231.13721	1.3
237.12874	2.0
239.10832	2.1
249.15128	5.8
251.12857	3.7
255.13821	3.2
258.01883	1.4
272.03104	1.5
273.03906	1.9
273.15005	17.6
274.12280	1.7
275.12885	1.4
285.14954	1.4
287.05655	1.6
288.06433	4.0
299.05576	4.5
300.99664	1.4
301.17996	2.1
302.07809	1.9
303.08734	4.2
317.10309	1.7
319.18964	2.2
329.10382	6.8
331.04715	1.5
355.19208	2.8
358.97589	1.5
373.09576	1.7
373.20285	15.1
376.08331	1.4
387.21548	3.2
390.09430	1.6
391.10431	53.7
391.21304	100.0
392.10608	2.7
392.21555	4.0
439.24753	2.6
452.39899	1.2
457.26041	5.8
475.26987	12.0
509.16467	1.3
553.15662	77.9
554.15521	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	553.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.5
59.01377	12.9
60.97850	1.0
61.98812	1.9
68.37358	0.9
69.03448	1.5
69.43665	3.6
71.01380	6.4
72.63360	0.8
72.99297	1.0
73.02951	7.0
75.00860	1.1
81.03467	0.9
85.02953	10.7
87.00977	1.0
87.04520	3.8
88.98801	1.5
89.02439	3.9
95.04990	1.3
99.04501	2.5
101.02459	2.8
101.06093	2.0
109.06588	1.5
113.02453	2.1
119.03515	1.2
121.06533	1.0
123.00871	2.2
124.01676	1.9
125.02432	3.7
125.06139	1.1
135.04446	1.0
151.00357	1.0
166.06311	1.5
168.00653	1.1
169.01448	5.9
175.03970	1.1
180.04323	1.6
183.11748	2.8
195.06662	4.0
197.08295	1.7
211.02452	2.2
221.09738	5.2
221.11707	1.2
231.13943	1.7
249.14967	3.9
251.12900	3.2
255.13866	3.0
271.04633	2.7
273.15024	19.5
274.12131	1.1
299.16519	1.5
300.41000	1.0
300.99741	2.3
301.18042	1.9
305.17722	1.2
315.16241	0.9
329.17502	2.0
355.19162	2.9
373.20175	15.5
387.21579	1.8
391.21286	100.0
392.21616	3.6
439.24881	1.7
457.26205	4.6
463.26715	0.9
475.26862	9.1
553.18884	6.6
553.32294	5.8
575.20813	1.1
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
50.90072	0.4
53.72866	0.4
54.71811	0.5
59.01390	1.1
61.98837	0.9
69.01375	0.4
69.20221	1.6
69.20622	1.0
77.64109	0.4
80.96526	1.0
81.41380	0.4
86.87572	0.5
87.66949	0.4
96.35352	0.4
96.96005	0.6
98.22691	0.8
98.95623	0.6
117.90617	0.5
145.68486	0.4
157.12589	0.4
274.48071	0.5
374.26608	0.5
393.31693	0.8
423.32849	1.2
471.34808	100.0
472.35107	5.1
505.49289	0.6
553.27771	2.4
553.35144	58.2
554.35669	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	553.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98817	0.6
65.62177	0.4
71.48019	0.5
80.96504	0.8
85.65829	0.4
96.95973	0.6
98.95609	0.5
103.77647	0.4
110.13799	0.4
114.00676	0.4
128.46657	0.4
150.81067	0.4
152.99625	0.5
224.13564	0.4
446.62167	0.5
471.34805	100.0
472.35199	6.8
553.35162	59.3
554.35626	4.1
581.97827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51063	1.3
65.55109	1.4
71.14697	2.8
85.08688	1.6
85.19082	1.5
98.95586	1.8
131.76477	1.4
155.62427	1.3
163.55617	1.5
185.89900	1.5
471.34796	100.0
472.35034	7.9
553.26605	3.2
553.35144	60.2
554.35443	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	554.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01685	0.6
57.03446	0.7
59.01384	1.1
61.98836	100.0
66.52159	0.5
69.71094	1.8
69.71457	0.6
71.01414	0.6
77.64590	0.6
85.02982	2.0
90.81744	0.5
96.14158	0.7
106.72520	0.5
107.01402	13.7
113.02506	1.1
120.71792	0.5
123.00854	0.6
124.01675	5.5
125.02464	32.9
136.98897	0.8
139.00446	0.7
140.01213	1.7
154.33434	0.6
168.00647	1.5
169.01445	71.3
170.01781	1.2
175.04018	0.6
183.03210	0.7
184.04109	1.1
202.05194	2.5
246.04153	1.8
249.15067	0.6
254.80963	0.6
273.15067	1.7
274.15329	1.4
279.16159	0.6
320.82425	0.5
373.20175	1.4
374.20572	1.2
387.21347	0.6
391.21347	7.7
392.16730	1.0
392.21628	13.1
398.68912	0.6
426.10623	2.5
468.59579	0.6
476.27719	1.1
493.32120	0.7
494.31873	0.9
554.15234	10.4
554.23669	0.8
555.16669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84022	0.4
54.23616	0.4
59.01391	0.8
61.98835	100.0
72.99349	0.4
77.31954	0.4
98.22722	0.6
106.19878	0.5
125.02487	0.6
138.66733	0.5
143.61833	0.4
150.99139	0.5
191.31392	0.4
225.96494	0.4
278.53537	0.5
400.92749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01385	4.2
61.98837	100.0
68.25099	0.5
69.26857	1.4
69.27280	2.7
71.01409	1.1
73.02958	1.4
74.08273	0.7
75.00892	0.6
85.02979	2.7
86.03376	0.7
87.04533	1.0
98.22643	1.0
101.06106	1.2
107.05081	0.8
108.02236	0.9
121.02998	0.7
123.04586	0.7
124.01701	0.8
125.02465	1.4
126.72336	0.6
136.62231	0.6
150.03276	2.7
151.04005	0.9
152.01183	1.3
165.05627	2.7
166.42455	0.6
169.01488	1.4
181.55170	0.8
183.11809	0.7
190.06398	0.7
195.04710	0.5
195.06664	1.2
221.09805	1.3
222.10085	0.9
249.15024	1.2
250.15347	0.9
255.14156	0.8
256.14291	0.8
273.14948	2.9
274.15347	3.4
344.12341	0.9
373.20395	2.5
374.20602	3.1
388.22464	0.8
391.21301	14.0
392.21655	16.3
422.19116	2.2
432.11710	0.9
475.27341	1.1
476.27725	2.3
484.82358	0.7
495.29657	1.0
507.20340	3.5
554.23248	1.6
555.22870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01385	4.2
61.98837	100.0
68.25099	0.5
69.26857	1.4
69.27280	2.7
71.01409	1.1
73.02958	1.4
74.08273	0.7
75.00892	0.6
85.02979	2.7
86.03376	0.7
87.04533	1.0
98.22643	1.0
101.06106	1.2
107.05081	0.8
108.02236	0.9
121.02998	0.7
123.04586	0.7
124.01701	0.8
125.02465	1.4
126.72336	0.6
136.62231	0.6
150.03276	2.7
151.04005	0.9
152.01183	1.3
165.05627	2.7
166.42455	0.6
169.01488	1.4
181.55170	0.8
183.11809	0.7
190.06398	0.7
195.04710	0.5
195.06664	1.2
221.09805	1.3
222.10085	0.9
249.15024	1.2
250.15347	0.9
255.14156	0.8
256.14291	0.8
273.14948	2.9
274.15347	3.4
344.12341	0.9
373.20395	2.5
374.20602	3.1
388.22464	0.8
391.21301	14.0
392.21655	16.3
422.19116	2.2
432.11710	0.9
475.27341	1.1
476.27725	2.3
484.82358	0.7
495.29657	1.0
507.20340	3.5
554.23248	1.6
555.22870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.0
69.22934	5.0
83.05030	3.0
98.22645	1.2
107.05093	0.8
114.83027	0.8
118.51109	0.9
132.30055	0.8
163.11322	2.8
165.12862	2.0
171.10277	4.3
209.11839	100.0
210.12158	3.1
213.40356	0.8
227.12906	13.7
265.14487	1.0
279.31226	0.8
486.30527	0.8
493.27859	1.1
508.51062	0.9
554.09460	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	554.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.4
69.26207	8.8
69.26615	10.9
69.81955	3.0
176.11014	3.1
204.28972	3.4
209.11833	100.0
227.12901	14.7
257.53271	3.1
374.30713	3.2
435.34583	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	554.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.16398	6.9
73.91485	0.9
80.96520	5.1
81.34628	1.0
84.63583	1.1
94.98115	1.4
96.96033	2.1
98.21899	2.2
148.69667	1.0
202.26793	0.9
225.00838	1.2
265.56393	1.1
349.52728	1.1
377.89301	1.3
555.28473	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	554.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01030	0.7
55.96759	0.7
59.01394	5.3
61.98836	100.0
69.88677	1.9
69.89025	1.0
93.43482	0.6
97.04684	0.7
98.21891	0.8
108.25525	0.7
144.89796	0.7
150.03276	0.9
178.06055	0.7
183.10251	1.6
184.46106	0.7
193.05116	0.9
218.63887	0.8
225.19310	0.7
229.74872	0.8
286.39816	0.7
309.31433	0.7
356.09265	0.9
554.27332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49596	0.4
59.01384	21.7
61.98828	0.9
69.07680	2.9
77.49500	0.4
78.89310	0.4
78.95911	16.8
86.52579	0.4
89.23672	0.5
96.34918	0.4
126.14378	0.4
152.99609	2.8
168.04301	3.2
181.18843	0.4
224.06946	7.9
242.07991	1.0
255.23308	100.0
256.23685	3.2
291.37955	0.5
472.34979	1.9
480.30997	64.2
481.31583	3.2
485.63425	0.5
554.27405	0.5
554.35425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.3
59.01386	12.8
61.98838	20.1
69.18061	7.1
71.01388	5.3
72.99306	1.5
73.02963	3.9
83.01389	1.6
89.02444	2.3
93.03471	2.6
95.01406	1.2
96.96027	4.5
101.02445	1.7
113.02495	1.8
113.04177	1.4
115.00336	1.3
116.92896	1.1
121.02974	13.3
122.03751	13.8
123.00919	2.4
123.04544	3.2
124.01690	2.6
125.02441	4.5
133.01480	1.8
133.02943	2.2
135.04532	4.8
137.02466	1.3
147.04553	2.0
149.02461	49.0
149.06111	1.3
150.03244	72.8
151.03766	1.6
160.05305	1.9
163.03969	3.2
164.04811	12.1
165.05588	73.8
166.06377	2.9
169.01456	3.8
177.05632	1.3
179.03528	1.3
179.07167	2.1
180.04305	5.3
181.08649	1.6
181.85413	1.1
192.07837	1.4
195.06645	46.4
207.06657	2.1
233.92827	1.3
253.08842	1.8
255.53400	1.4
259.40701	1.2
269.08176	2.9
269.11868	4.0
283.09677	1.5
295.06091	1.9
296.10519	1.6
297.11377	9.9
298.08350	1.6
298.12317	1.5
299.09271	2.6
301.00055	1.6
310.08359	1.2
311.09183	4.5
311.12729	2.7
313.10742	2.8
314.11621	5.6
315.12228	1.5
325.10785	4.0
326.11612	3.1
329.13962	14.0
341.13989	6.7
371.15179	1.2
431.15033	4.6
433.16629	3.8
434.16956	1.4
462.16547	2.9
469.77054	1.2
477.19238	19.9
478.19696	1.4
489.18954	2.5
492.17645	2.3
507.20276	100.0
508.20599	5.9
525.21643	1.9
555.07446	2.0
555.22766	7.1
555.32520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48579	0.8
58.48980	0.8
59.01386	4.5
61.98833	4.0
62.00772	0.8
69.30023	4.6
71.01362	1.0
78.70325	0.7
85.02959	1.1
85.06542	0.8
86.02100	0.8
93.03452	3.9
95.05041	1.1
101.02481	1.0
111.64410	0.8
121.02979	6.1
122.03751	15.5
124.01738	0.9
125.02447	1.8
131.03546	1.0
133.02979	2.3
135.04491	1.2
136.01659	1.7
138.28482	0.9
149.02473	18.1
150.03241	91.6
151.03511	1.0
163.04031	1.7
164.04755	5.5
165.05585	100.0
166.06227	3.9
169.01497	1.5
174.23006	0.9
180.04309	6.3
195.06648	62.4
196.07085	1.6
207.06653	1.4
237.07729	1.2
238.06102	1.0
240.04333	1.7
266.05786	1.0
269.08182	3.9
281.08371	1.3
283.09772	2.3
295.06046	1.9
297.11261	1.9
299.09259	4.6
300.99814	0.9
310.08475	1.8
311.09277	4.7
311.12366	1.0
313.10855	1.7
314.11743	7.0
325.10785	1.9
326.11578	3.9
329.13962	16.0
341.13953	11.1
343.11978	2.6
373.12936	1.0
385.28766	1.1
393.57410	1.0
449.90005	0.9
455.05188	1.1
477.19366	4.3
507.20264	9.4
525.21167	2.1
555.07294	1.5
555.23621	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	555.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93428	0.7
59.01384	3.7
61.98839	5.8
71.01382	2.1
73.02974	0.9
77.03989	0.7
83.04990	0.7
88.87782	0.7
89.02445	1.3
93.03461	2.3
96.96078	0.7
108.02173	3.2
109.02968	8.4
113.02445	0.8
121.02984	3.5
122.03745	8.6
123.00907	0.8
123.04514	4.4
124.01657	1.7
125.02455	2.2
132.02216	1.0
133.02956	5.8
134.76721	0.7
135.04514	4.4
136.01613	1.0
139.04036	0.8
145.02989	0.7
147.04562	2.1
149.02457	17.0
149.06104	1.2
150.03241	78.5
151.04021	8.9
159.04501	3.2
162.03249	0.9
163.04054	1.2
164.04803	4.9
165.05579	57.2
166.06075	1.0
169.01468	3.9
173.06079	2.6
180.04247	3.7
181.05090	6.5
183.06589	0.7
185.06078	0.7
189.05585	2.7
195.06642	30.7
203.07130	2.1
211.02463	1.2
219.91875	0.8
229.33397	0.9
240.04289	1.8
241.05029	5.6
255.06587	3.0
267.06696	2.0
269.08270	1.7
271.04602	1.6
281.08469	1.1
283.09720	1.2
295.09802	1.1
297.07809	4.0
297.10953	0.8
298.08209	1.4
299.09232	3.8
311.09006	1.0
313.10873	6.3
329.10251	2.8
343.11609	1.6
344.12650	11.0
345.13345	2.7
357.13748	0.9
358.14368	1.5
359.15027	25.6
391.20825	0.9
392.21463	1.5
393.22205	2.6
431.14914	1.2
443.15271	1.6
447.14471	2.2
461.16083	7.5
462.16641	0.9
477.15604	2.9
492.18167	1.3
495.29666	2.3
507.20291	100.0
508.20480	4.4
555.09033	0.9
555.21912	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	7.6
61.98829	7.1
65.85287	0.8
71.01380	1.9
76.72456	0.8
79.95737	2.2
88.08366	0.7
89.72198	0.9
93.03458	2.2
96.96024	62.2
101.02477	0.9
105.03473	1.4
114.93439	4.8
121.02966	6.7
122.03762	10.2
123.01042	0.9
123.04527	2.2
124.01667	1.3
125.02448	2.4
132.02185	1.2
133.02969	8.0
134.03741	3.7
135.04582	1.9
136.01695	1.1
139.04083	1.0
146.03838	1.2
147.04553	12.1
148.05312	2.4
149.02440	22.1
149.06128	4.3
150.03241	56.5
151.03955	0.9
157.60385	0.9
158.03769	5.0
159.04515	4.5
160.05302	15.8
161.02299	1.0
161.06126	6.6
162.03281	1.0
163.04077	1.9
164.04807	7.1
165.05589	41.5
169.01466	1.8
173.06073	5.0
174.06908	3.0
175.04108	1.7
175.07645	12.2
176.04861	4.9
177.05553	6.8
178.06393	6.5
179.07059	1.3
180.04277	3.1
184.43680	0.8
191.07312	1.1
192.07901	6.8
193.08676	1.2
193.80843	0.9
195.06654	22.0
196.06972	1.0
216.40639	0.9
270.09055	3.0
284.10693	1.4
285.11298	1.7
296.10489	1.1
300.99765	1.7
315.12448	2.6
329.13968	28.1
355.36441	1.0
371.15060	1.1
383.14975	1.1
409.15579	1.5
432.15570	2.6
447.18207	6.2
459.18570	1.2
469.17413	2.1
477.19235	100.0
478.19437	5.9
489.18930	1.2
507.20349	2.8
525.21338	11.5
555.22015	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87389	1.0
53.91305	0.9
57.03440	2.2
59.01383	40.9
60.01673	0.9
61.98829	1.3
63.22556	1.0
69.03468	1.0
69.33408	2.4
69.33798	2.3
71.01387	19.0
71.85902	0.9
73.02969	4.9
75.00878	3.5
83.01383	4.6
83.05074	0.9
85.02960	10.7
87.00850	2.5
87.04488	1.7
87.86530	0.9
89.02454	13.7
95.01400	2.7
96.95992	1.2
97.02966	0.9
98.21827	1.4
99.00905	1.6
101.02451	15.1
107.01348	2.2
109.02988	1.0
111.00919	1.3
111.04526	5.1
113.02460	6.9
119.03511	5.2
123.00874	4.7
124.01698	3.7
125.02465	12.7
125.06026	1.2
125.36167	0.9
139.00435	1.3
139.04024	1.4
143.03572	1.7
148.76901	1.2
149.04488	1.6
150.20541	1.0
151.00418	2.4
161.04594	3.3
165.05618	1.5
168.00601	2.3
169.01434	11.9
179.03635	1.0
179.05623	4.6
225.12877	1.9
231.13881	4.0
231.15927	1.4
249.15096	1.0
277.14551	2.3
297.14908	2.3
299.13062	2.4
300.99878	3.9
302.00418	1.3
312.99994	1.6
315.16003	16.6
317.17810	1.3
333.17105	44.4
340.99295	5.5
341.10892	1.3
403.12469	8.9
477.21426	1.6
495.22479	100.0
495.29550	9.0
496.22653	6.2
514.29425	1.0
537.06860	1.8
555.13568	17.7
555.23016	3.0
555.34039	3.0
556.14008	1.5
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
53.56985	0.3
55.72985	0.3
59.01385	0.8
63.96242	0.9
67.53013	0.3
67.66515	0.3
69.03443	0.5
69.35826	0.3
71.01391	5.7
71.32539	0.4
73.02972	1.7
78.98605	5.7
79.95747	8.8
80.96526	57.9
81.03445	0.7
85.02953	2.9
87.00890	2.6
94.98099	13.6
96.96030	0.8
97.02939	1.4
99.00907	0.5
99.04543	0.3
101.02460	2.4
106.98112	3.0
113.02487	0.5
114.80402	0.3
122.97600	2.9
125.02483	2.7
127.04003	0.6
134.97606	4.9
136.99135	1.0
145.96840	0.4
148.99146	4.6
152.98643	5.6
164.98639	10.3
167.00266	0.4
206.99654	2.5
225.00755	13.2
255.23244	1.9
299.04324	2.7
314.06287	0.4
372.77951	0.4
555.28479	100.0
556.28802	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	555.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47809	0.7
52.93988	0.7
59.01400	0.9
60.97384	0.9
61.98850	0.8
62.99620	0.7
65.16235	0.7
66.12623	0.7
71.01389	5.1
73.02963	1.4
78.98587	5.1
79.95738	9.8
80.96525	61.2
81.03461	0.8
85.02962	2.3
87.00887	1.8
94.98102	16.2
97.02980	0.9
101.02459	1.2
106.98089	2.4
108.45750	0.8
110.40704	0.8
122.97578	3.1
125.02441	3.2
127.04033	0.8
134.97575	3.2
135.51987	0.9
136.99071	1.2
148.99150	4.8
151.06129	0.7
152.98647	5.3
164.98648	11.9
206.99655	1.4
225.00735	15.1
245.84282	0.8
248.32411	1.0
255.23270	3.1
299.04437	3.2
455.28564	0.8
541.18542	0.9
555.28485	100.0
556.28668	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85879	0.5
57.03443	1.7
59.01385	13.2
59.74350	0.4
60.24136	0.5
61.98816	0.9
69.03463	0.9
70.45193	0.9
71.01396	1.1
71.05018	1.5
73.02956	1.9
75.00872	3.4
77.93371	0.4
79.72435	0.5
83.04522	0.7
83.05027	14.3
85.02937	0.8
87.04523	0.8
97.06588	0.7
99.04516	0.8
101.06021	0.4
115.07681	2.4
123.08161	0.6
125.06100	1.0
141.09158	0.6
159.10278	11.4
159.11636	0.6
162.16779	0.5
199.11244	0.7
201.12798	2.1
213.12941	0.8
219.13889	1.3
225.12944	0.5
227.14444	1.3
228.16048	0.5
229.12346	3.8
231.13948	1.0
243.13953	1.4
245.15480	3.9
247.13477	2.0
257.17789	0.9
271.16846	0.7
281.15549	0.5
299.16446	1.8
301.14496	0.5
311.20023	0.5
317.17532	4.0
319.19171	0.5
335.18661	3.0
375.64166	0.5
387.25247	0.8
389.23340	1.4
403.24802	1.1
405.26263	1.6
459.27472	1.2
477.28571	3.8
495.29678	100.0
496.29968	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	555.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79812	0.8
57.03446	2.9
59.01379	5.9
60.07236	0.8
69.03439	1.6
69.30312	5.1
71.01378	2.8
72.02161	1.3
73.02946	10.4
83.05035	34.4
84.47711	0.8
85.02958	11.6
87.04523	17.5
95.05046	4.9
96.96025	1.9
97.06590	3.0
99.04540	3.4
101.06085	3.6
103.63980	1.0
107.05039	1.4
113.02462	0.9
113.06101	6.9
123.00909	2.9
123.04565	1.1
124.01690	2.4
125.02463	4.5
125.06052	1.3
127.07643	1.0
131.07140	3.3
139.07660	7.8
145.08719	1.0
151.00409	1.9
157.08664	1.5
165.05637	1.4
168.00563	1.0
169.01421	7.0
175.09763	59.2
176.10063	1.0
230.28308	1.0
231.13931	1.7
247.17084	1.3
264.19913	0.9
267.13776	1.2
273.14944	1.3
301.18008	5.1
312.99933	1.4
319.19278	6.4
340.99237	1.6
361.20184	3.2
385.23795	1.5
403.12430	5.8
403.24954	1.4
407.24432	1.1
477.28528	2.1
495.29691	100.0
496.30139	8.3
537.06995	2.1
555.13568	7.3
555.20917	3.1
556.13257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01383	25.8
61.98837	6.5
69.35813	5.1
71.01385	17.1
73.02952	66.1
83.05032	55.1
85.02961	4.7
87.04523	10.6
89.02449	19.0
91.50664	1.4
96.96059	1.4
97.77823	1.2
98.21865	2.3
101.02509	1.6
101.06087	100.0
103.00440	1.2
103.01505	3.3
107.01342	1.0
108.02235	1.3
113.02464	1.3
119.03491	1.0
121.02950	1.2
123.00874	2.5
125.02486	2.6
131.03481	2.6
134.03749	1.1
135.04527	2.5
145.02855	1.1
149.04562	6.0
161.02394	1.0
162.03239	12.7
166.06348	4.2
169.01393	3.3
175.09767	13.1
177.05577	11.6
181.08769	3.0
211.02403	1.5
221.00989	1.2
271.04660	2.8
283.16794	1.3
287.14001	1.2
300.99979	1.4
301.18246	2.8
319.19119	11.2
345.20700	6.1
361.20212	2.5
391.21066	1.5
393.22415	1.8
477.28500	4.9
495.29645	49.9
496.29810	3.4
555.21088	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	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24738	2.1
57.03449	7.3
59.01383	83.2
69.17817	14.1
71.01404	5.5
71.05026	4.7
83.05035	51.4
85.02956	4.6
87.00920	2.7
89.02438	4.9
96.96034	10.9
101.02424	4.5
115.07668	7.2
116.92878	2.3
123.00883	6.2
124.01686	3.7
125.00588	2.1
125.02457	18.3
151.00348	3.3
159.10301	37.9
165.05537	4.6
166.99791	2.4
169.01431	21.3
175.04044	2.0
183.99883	2.1
195.06506	2.1
211.02496	4.6
215.14467	4.4
216.44200	2.0
221.08238	3.8
228.94557	2.3
247.13383	5.7
251.14462	9.8
258.44669	2.3
269.15417	13.0
271.04657	5.8
275.01947	2.4
287.16565	11.8
300.99875	5.9
305.17432	3.9
335.18774	8.0
373.11496	12.8
411.25519	19.8
429.26501	20.5
429.31906	3.3
447.27527	34.3
465.28528	37.8
477.28668	20.0
495.29651	100.0
496.29868	5.2
503.29327	2.3
555.13293	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	555.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76086	17.5
53.13943	17.1
65.99838	19.0
69.14404	100.0
82.47172	16.3
84.67519	18.6
88.17067	18.7
136.91103	23.6
214.69005	19.8
504.18359	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	555.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65639	0.6
59.01327	10.1
61.98792	1.2
71.04972	2.7
77.24429	0.6
92.95640	0.7
93.87833	0.6
100.83540	0.8
120.12472	0.6
142.11461	0.6
209.11877	3.9
211.13376	5.1
212.13756	0.8
280.86353	0.7
341.15317	0.6
359.51440	0.8
388.49777	0.8
409.34848	1.9
411.32092	0.9
413.34146	6.4
429.37149	1.0
473.36374	100.0
474.36984	7.2
525.48645	0.8
555.36749	56.6
556.37018	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	556.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76451	1.8
50.98821	1.9
59.01375	7.7
60.78371	1.9
61.98836	13.7
65.67413	2.0
65.69588	1.8
69.17812	12.8
71.01380	4.8
73.02936	3.7
80.00307	1.8
83.05042	4.4
84.96397	1.9
85.02948	3.2
87.04537	2.2
89.02477	2.1
93.04407	2.1
100.67973	2.1
107.01398	7.0
113.02467	2.2
123.00863	10.2
124.01707	6.5
125.02457	47.4
139.00359	2.0
140.01122	2.4
146.03719	8.5
148.10387	2.1
151.00331	7.3
161.06026	3.1
164.04800	6.7
165.05467	2.2
167.03406	2.4
168.00652	5.2
169.01454	66.8
170.01704	3.5
179.07130	3.2
211.02464	2.5
300.99805	3.7
313.05704	16.4
335.18768	3.1
493.13562	100.0
494.13919	6.1
495.29459	7.8
496.30142	3.8
556.13806	8.3
557.22406	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	556.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20549	0.3
57.27553	0.3
59.00888	0.3
59.01373	1.2
60.36615	0.3
61.06038	0.3
61.98834	2.6
69.03474	0.4
71.01386	0.4
74.23599	0.4
78.01120	0.8
83.01414	0.3
94.03019	0.3
95.01417	0.3
97.02927	0.4
104.05106	0.4
106.00648	0.4
107.01399	27.2
109.02952	0.3
109.29815	0.3
110.00060	0.4
111.00899	1.8
119.04977	0.3
123.00882	1.0
124.01677	7.8
125.02458	45.6
126.02814	0.6
127.00401	0.8
130.06572	0.4
135.35199	0.3
136.98796	1.1
137.02432	0.9
139.00386	1.9
140.01184	2.5
147.04524	1.4
154.99893	0.4
156.04550	0.5
158.06049	0.7
161.06081	1.1
168.00633	1.7
169.01439	100.0
170.01752	1.3
174.05583	0.5
175.04039	1.2
184.04092	1.0
187.02745	0.4
202.05112	4.1
209.64134	0.3
220.06125	0.3
246.04082	3.4
269.59940	0.3
299.05673	0.4
364.10416	0.4
380.15140	0.4
408.09341	0.5
512.16174	0.4
556.14612	17.3
557.14758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76388	2.5
60.28132	2.2
61.98836	100.0
67.70768	2.8
69.26833	15.5
70.00742	3.0
91.83937	2.5
149.23373	2.8
272.67639	3.2
274.98849	3.1
343.27341	3.1
385.54663	3.1
527.28394	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	556.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48162	0.3
57.03447	0.3
59.01389	2.3
59.22957	0.3
61.98838	100.0
69.22908	1.4
71.01422	0.3
73.02953	0.4
75.00880	2.8
76.01197	0.3
83.05036	1.4
85.02968	0.2
107.01344	0.2
111.04544	0.3
124.01677	0.4
125.02489	0.9
145.02986	0.5
150.03233	0.3
150.17482	0.2
159.10313	0.6
166.05070	0.4
168.00729	0.4
169.01442	1.1
180.11057	0.2
195.14893	0.3
198.75505	0.3
211.02579	1.1
249.14816	0.3
271.04678	1.4
272.05020	0.5
272.45251	0.3
331.06903	0.4
394.22421	0.4
423.84210	0.3
478.29227	0.5
495.29724	1.6
496.30051	7.5
508.20993	0.3
556.18036	0.4
578.92969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65559	1.2
59.01375	3.7
61.98835	3.0
70.81776	2.1
71.01370	2.8
89.02452	2.3
101.02453	4.4
113.02456	1.3
113.89283	1.2
119.94684	1.3
154.77469	1.4
253.09309	15.2
259.20883	1.5
277.21747	100.0
278.22119	6.1
279.23328	4.1
415.96814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.5
61.98831	7.3
69.12645	6.1
71.01376	2.1
89.02454	2.1
95.84874	1.0
98.22647	1.3
101.02451	2.4
102.78833	0.8
113.02424	1.3
118.72301	0.9
120.14259	0.8
160.42940	0.8
161.04614	1.4
179.65718	0.9
225.34250	1.0
253.09306	17.9
277.21744	100.0
278.22070	3.5
552.98102	1.0
556.32501	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	556.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98837	100.0
67.93539	0.3
69.12955	0.5
69.13358	1.3
86.06950	0.3
91.27040	0.3
91.79682	0.3
93.06284	0.3
97.06637	0.8
125.02476	0.5
128.86708	0.3
169.01456	0.5
173.11940	0.3
173.53322	0.3
174.12187	0.5
211.02582	0.4
246.46291	0.3
262.55457	0.3
271.04852	0.5
308.01294	0.3
494.32214	0.3
495.32538	0.3
496.32751	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	556.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30698	0.3
59.01385	2.1
61.98838	100.0
68.04013	0.3
85.02978	0.6
97.06595	1.4
98.06927	0.5
124.01660	0.3
125.02438	0.6
160.41933	0.2
166.06392	0.4
169.01424	0.8
173.11876	1.2
174.12180	1.0
175.12373	0.3
180.20799	0.3
321.19968	0.3
472.69055	0.3
494.32245	0.9
495.32516	0.8
496.32703	3.1
509.94052	0.4
544.77997	0.3
556.23315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98047	0.8
57.25232	0.9
61.98835	100.0
66.92065	0.9
71.40367	1.0
83.77020	0.8
282.53137	1.1
471.34796	15.3
472.35294	4.3
474.35434	1.2
556.32562	69.6
557.32990	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	556.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.19138	3.0
69.19542	1.4
70.82503	0.6
74.52014	0.7
77.83383	0.6
78.95911	2.0
79.66748	0.8
90.38075	0.6
104.38680	0.7
152.99559	0.9
241.21788	0.9
326.30396	0.7
444.66510	0.7
448.60773	0.6
464.80997	0.6
471.28445	1.2
471.34787	14.3
472.35168	2.6
474.36026	1.0
484.35547	0.7
556.32513	55.9
557.34174	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	556.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
59.93716	0.7
61.98836	100.0
62.19931	0.8
64.89090	0.8
69.26732	4.6
86.43185	0.8
98.21851	1.8
101.02430	0.9
101.67872	0.8
140.78775	0.9
167.48204	0.8
253.09166	2.0
277.21823	8.4
451.61423	1.0
471.34805	22.1
472.35220	4.2
474.35767	1.6
556.32550	80.0
557.33136	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10211	1.8
58.56921	1.4
59.01382	32.7
61.64328	1.5
63.27404	1.3
63.33816	1.2
71.01397	2.9
71.83905	1.3
81.11221	1.5
84.79714	1.7
85.02988	2.2
87.00907	3.3
88.98815	3.6
89.02417	1.5
95.01418	2.7
97.02975	2.1
103.00385	39.2
107.01398	5.6
111.00884	2.4
113.02435	2.8
123.00909	15.5
124.01684	23.7
125.02467	35.5
127.00332	1.7
134.17418	1.4
136.98782	1.9
137.02423	2.0
139.00414	4.2
139.04033	4.5
140.01137	1.6
141.01898	3.0
151.00375	7.8
153.01994	3.6
161.02545	1.9
165.01910	7.0
167.03563	2.2
168.00662	8.2
169.01440	59.7
179.03482	2.7
180.04333	2.4
181.01448	2.6
183.03011	4.7
195.06664	3.0
201.02054	1.9
225.04036	1.7
231.03062	1.8
237.10625	1.5
249.04234	2.1
251.81735	1.8
257.00851	1.7
271.04471	2.5
274.00974	1.7
275.02032	7.6
285.06213	4.4
301.00049	7.3
313.05600	13.5
327.07068	1.9
344.43219	1.8
385.08179	1.8
391.03415	1.9
453.10413	100.0
454.10577	5.2
467.12097	3.5
497.11606	1.6
507.59320	1.7
509.12952	17.0
519.53070	1.4
539.13959	1.8
540.13837	2.4
557.15613	17.5
557.22772	5.7
558.14948	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64840	1.9
59.01381	2.9
60.99309	16.5
69.36415	9.2
71.01390	3.3
85.37132	1.7
88.98818	98.5
98.58514	1.8
99.22588	1.9
107.01379	3.5
113.02498	2.1
116.92881	2.5
123.00896	10.8
124.01677	5.7
125.02473	34.5
138.03250	2.1
139.00356	3.4
141.01872	2.2
150.03204	2.0
151.00403	5.9
153.01962	3.3
153.05553	10.8
161.30020	2.0
165.05527	2.8
168.00711	5.3
169.01450	51.1
211.02448	2.8
229.01450	2.6
231.02907	2.5
271.04611	2.9
275.01968	8.5
289.60480	1.8
300.32751	1.8
300.99896	9.5
313.05771	16.5
467.12027	100.0
468.12079	2.8
557.22253	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	557.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69734	1.7
59.01393	3.3
60.99307	14.3
71.01395	2.1
77.13873	1.9
85.02969	2.4
88.98818	97.4
95.11202	1.8
98.21835	5.6
106.97812	2.0
107.01373	4.7
111.00960	1.9
113.02516	1.7
122.88566	1.8
123.00895	8.3
124.01676	6.0
125.02467	33.7
137.02513	2.0
150.03235	2.1
151.00359	6.4
153.01942	1.8
153.05611	12.4
161.02438	1.8
162.76030	1.7
164.04936	1.7
168.00635	4.3
169.01450	45.6
181.01472	2.1
183.02974	2.8
188.35818	2.1
203.03638	1.6
211.02525	2.4
229.01419	2.8
231.02872	2.4
257.00925	2.0
259.65405	1.8
271.04599	2.9
275.01819	8.6
300.99857	8.9
313.05792	14.0
333.37781	1.9
467.11981	100.0
468.12173	4.8
475.66824	1.8
557.22620	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	557.1306
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
51.02405	0.5
55.01891	0.5
59.01378	2.1
61.82903	0.5
61.98834	7.3
65.00319	0.4
67.01871	0.7
69.03454	4.5
69.27134	2.8
71.01393	4.0
73.02939	0.9
79.01900	1.8
81.03470	1.3
83.01397	0.6
85.02965	1.3
87.00909	0.7
89.02460	0.8
91.93480	0.4
95.01405	2.3
96.99345	0.6
97.02969	3.1
101.02464	1.3
107.01399	12.3
108.02193	5.6
109.02961	6.7
111.00882	2.0
113.02466	1.3
121.02985	3.8
122.03748	0.6
123.00896	10.9
124.01679	7.8
125.02457	61.2
126.02804	0.9
131.50327	0.5
134.03685	0.6
135.00894	1.3
135.04575	0.8
136.98848	1.0
137.02463	5.2
139.00426	2.6
140.01181	3.0
141.01953	2.2
149.02510	0.6
150.03215	1.0
151.00371	9.2
151.03944	0.6
152.01158	1.6
153.01956	7.2
161.02492	0.6
161.06064	0.5
163.04118	0.6
165.01920	0.8
165.05577	0.8
166.06377	3.2
167.03432	0.5
167.44350	0.4
168.00653	5.3
169.01440	70.1
170.01825	1.1
177.01938	0.7
179.07161	0.9
181.01465	0.7
181.08717	2.0
183.03223	0.5
193.01547	0.5
195.06577	0.5
197.06087	4.9
211.02510	2.1
213.05611	1.0
215.07147	0.8
225.05603	0.5
226.06209	0.6
230.02727	0.5
230.57190	0.5
234.06808	0.5
241.03665	1.5
242.05846	1.6
243.06587	3.9
257.07993	0.6
297.06226	1.4
312.04990	0.5
313.05679	21.6
314.06030	0.7
315.07272	0.6
345.13470	0.9
422.08374	2.2
449.07108	3.4
466.07623	1.9
527.22498	2.4
557.13025	100.0
558.13416	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	557.1305
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
59.01368	4.0
61.98838	58.3
65.00327	1.6
65.57442	1.2
69.03458	5.3
69.17332	1.9
69.17739	5.6
71.01399	2.7
73.02972	1.6
73.38056	1.2
79.01900	3.0
81.03458	1.6
85.02959	1.3
95.01387	2.6
96.96021	1.3
97.02956	4.7
107.01400	11.8
108.02204	10.5
109.02946	4.8
111.00916	2.7
112.63737	1.3
113.02432	2.1
113.69809	1.1
121.02983	1.5
123.00897	14.7
124.01667	14.3
125.02458	37.3
135.00902	3.7
136.98869	1.2
137.02470	1.2
139.00368	4.0
140.01167	5.1
141.01884	1.4
149.99557	2.5
151.00333	8.3
152.01151	15.2
153.01965	3.5
166.32745	1.2
166.99879	2.2
168.00650	15.2
169.01442	48.4
175.03989	1.3
177.01906	2.4
181.01389	1.5
193.01399	1.3
193.98581	31.2
194.99367	7.8
211.02530	3.3
259.05255	1.2
287.01877	1.7
296.05511	2.0
297.06189	4.7
303.31049	1.3
313.05710	15.9
314.06137	1.6
315.07181	3.3
422.08688	7.4
449.07217	36.8
450.07306	1.3
466.07486	39.1
467.08032	1.3
557.13037	100.0
558.13312	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	557.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77996	1.2
57.03447	1.2
57.25605	1.1
59.01382	8.9
60.16481	1.0
60.65356	1.2
63.52472	1.5
67.01900	1.9
69.03465	2.9
70.78963	1.2
71.01373	7.2
73.02952	2.6
78.04054	1.3
79.01908	3.1
81.03461	1.7
82.00629	1.7
83.01380	2.6
85.02958	4.0
87.00891	2.8
93.28831	1.4
95.01389	5.4
97.02983	4.4
101.02447	4.3
103.00372	11.0
107.01411	21.8
111.00893	6.8
113.02476	2.2
123.00904	36.9
124.01675	33.7
125.02462	77.7
126.02795	1.4
127.00365	2.9
136.98807	3.4
137.02454	4.3
138.03278	3.0
139.00386	8.6
139.04007	3.6
140.01147	8.8
141.01959	5.3
149.02419	1.8
151.00372	21.3
151.04015	1.9
152.01039	2.5
153.01959	5.0
164.94649	1.2
165.01962	21.5
166.02705	5.6
166.99895	2.5
167.03528	2.7
168.00665	17.0
169.01445	100.0
170.01775	2.2
177.01978	3.6
179.03490	8.1
180.04303	15.1
181.05028	2.6
182.02217	1.4
183.03000	14.6
192.04367	1.5
193.04987	1.7
194.05780	1.7
195.03053	1.7
195.06653	11.7
210.01675	3.3
211.02492	9.1
215.00188	1.4
223.02441	1.4
225.04059	11.5
229.01355	1.6
243.16031	1.5
253.03479	1.5
271.04617	4.9
275.02081	2.6
285.06168	21.2
286.06891	1.3
297.06149	2.4
300.99942	3.6
302.00085	1.8
313.05652	23.3
327.07181	3.0
345.08374	1.9
385.07825	12.0
453.10492	17.4
454.10635	1.7
509.13028	98.0
510.13370	4.6
521.13098	1.9
539.13971	18.4
557.15039	90.2
557.22626	62.8
558.15314	5.4
558.23077	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	557.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38710	6.0
53.81919	5.5
54.46051	5.9
57.03441	21.0
59.01386	100.0
60.82266	7.0
61.98834	70.1
65.05175	5.7
71.01407	40.2
71.43864	6.1
73.02930	10.0
83.01396	11.4
85.02982	8.0
87.00875	10.2
89.02442	17.3
96.95997	17.7
97.62399	8.1
97.73064	6.0
99.04529	18.6
101.02446	24.2
108.25026	5.9
113.02438	17.9
119.03515	7.9
122.45655	6.3
123.00855	16.4
123.04527	10.5
125.02442	29.0
129.10225	5.7
145.94995	6.3
150.03232	24.4
151.00258	7.3
153.05556	8.4
155.10724	8.7
161.04494	10.1
165.05569	25.6
169.01424	14.7
195.06581	20.4
271.04712	9.6
311.09268	7.4
313.07330	6.8
325.10788	6.7
338.00717	6.7
341.10370	37.3
351.10773	18.0
356.12738	10.9
371.15091	70.4
413.14606	11.3
438.26645	7.1
491.22623	8.5
509.18460	8.9
557.22327	37.3
557.30756	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	557.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	78.0
61.98824	54.0
66.91092	12.8
69.45840	67.6
70.72794	12.6
71.01369	38.6
89.02444	65.2
98.22655	28.2
101.02438	37.9
104.95763	14.3
111.63260	14.5
114.86604	13.7
119.03516	28.8
125.02477	29.6
152.91539	14.6
169.01443	36.0
177.40529	14.2
179.05618	20.8
230.40906	14.8
283.09689	22.2
283.50256	14.7
311.09262	47.8
326.11514	41.1
341.14005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03431	0.7
59.01383	4.8
64.99879	0.6
65.00314	0.7
67.01875	1.1
69.03449	2.3
70.19006	0.5
70.95784	0.6
71.01385	3.9
71.42485	0.6
73.02946	1.3
79.01878	1.0
81.03461	0.8
83.01393	1.3
85.02942	2.0
87.00890	1.3
89.02435	0.8
89.21549	0.5
95.01393	2.6
96.96011	0.7
97.02964	1.2
101.02460	1.8
102.73688	0.6
103.00372	2.6
107.01402	7.2
111.00890	2.3
113.02477	1.6
123.00909	19.1
123.04497	0.6
124.01682	13.4
125.02463	31.9
127.00365	0.7
132.46336	0.5
136.98828	1.5
137.02481	0.7
138.03159	0.6
139.00371	3.1
139.04018	1.5
140.01172	2.8
140.85869	0.6
141.01932	3.7
151.00388	14.6
153.01927	1.8
155.10802	1.9
165.01959	3.5
166.99889	0.7
167.03476	0.6
168.00685	5.3
169.01448	41.2
170.01784	0.7
177.01968	0.6
179.03511	2.0
180.04288	1.9
183.03044	2.9
187.00093	0.7
191.03444	0.7
195.03076	0.9
195.06651	2.7
211.02518	3.6
223.02519	0.9
225.04071	2.0
235.27783	0.7
243.16084	1.1
253.03471	1.0
255.66939	0.6
271.04651	2.9
275.02026	1.5
285.06213	2.1
297.06015	0.9
300.99979	2.2
311.00195	0.5
313.05740	5.8
385.07809	1.8
425.02243	0.8
453.10349	6.1
454.10861	0.8
498.76849	0.7
509.12982	11.6
510.13385	0.9
539.14044	1.9
557.14978	11.5
557.22467	100.0
558.15356	1.2
558.22742	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	557.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47704	0.3
57.03445	1.0
59.01384	3.9
61.98825	0.6
65.00319	1.3
67.01889	0.7
67.88556	0.2
69.03462	0.5
69.41629	0.2
71.01385	2.3
73.02960	0.3
78.01094	0.3
79.01900	0.5
81.03451	0.5
82.00600	0.5
83.01387	0.7
85.02945	0.7
87.00877	0.3
88.98807	0.6
89.02464	1.1
95.01392	1.6
97.02965	2.9
98.21927	0.8
101.02436	1.0
107.01401	3.7
109.02927	0.4
111.00924	1.4
113.02481	0.9
119.03460	0.3
119.29656	0.3
121.02994	0.4
123.00900	13.3
124.01678	7.3
125.02460	17.0
126.02725	0.3
127.00362	0.5
128.57101	0.3
130.44421	0.3
136.98813	1.0
137.02444	0.5
139.00392	2.3
140.01172	1.7
141.01941	1.9
145.02954	0.4
149.02432	0.3
149.09726	1.1
150.03201	0.4
151.00388	7.4
153.01949	4.3
153.09206	0.5
163.04041	0.7
165.01926	0.7
165.05588	0.5
166.99852	0.6
167.03499	0.5
167.10791	0.6
168.00653	4.9
169.01439	24.2
177.01950	0.4
177.04066	0.3
181.01431	6.9
182.02214	0.4
183.03017	1.7
183.43492	0.3
189.02002	0.4
190.02740	0.4
191.03555	0.4
193.01453	0.4
201.01929	0.5
203.03462	0.5
211.02504	9.2
217.01631	0.6
229.01405	0.7
231.03017	0.5
245.00771	0.4
247.02399	0.4
249.03906	0.4
257.00928	0.8
258.01764	0.3
259.02707	0.3
271.04660	11.2
273.00452	0.8
274.01154	0.8
275.02029	2.7
285.00391	0.5
298.98682	0.4
299.02081	1.1
299.99295	0.4
300.99945	2.6
301.03317	0.5
303.01517	0.4
313.05777	1.4
329.20972	0.3
458.03159	0.4
467.03564	1.6
481.17142	0.8
494.13956	0.5
539.21204	0.8
555.87726	0.4
557.22430	100.0
558.22766	7.3
570.90533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.2
60.99303	0.6
61.98840	0.6
65.26160	0.6
67.01886	1.1
71.01383	4.7
73.02954	0.6
78.75407	0.5
79.01889	0.9
83.01389	1.7
85.02919	1.1
87.00844	0.7
88.57185	0.5
88.98811	2.9
89.01911	0.8
89.02444	5.5
95.01390	1.5
96.96016	1.5
97.02941	1.0
100.93368	0.6
101.02441	3.1
107.01379	2.7
111.00903	0.9
113.02464	2.3
116.92859	2.3
119.03519	2.7
123.00892	9.6
123.02271	0.6
123.04558	1.4
124.01675	9.0
125.02463	18.5
126.02805	0.6
136.98853	1.0
139.00354	2.5
140.01141	1.5
141.01942	2.0
141.03014	0.5
143.03644	0.5
149.09668	1.5
150.03258	1.2
151.00369	6.5
153.05548	1.4
164.04678	0.5
165.05589	1.1
168.00670	6.4
169.01439	27.4
170.01788	0.6
179.05667	1.3
179.07097	0.7
181.01511	0.6
211.02490	20.0
229.01376	0.7
241.03506	0.8
257.00870	0.6
271.04611	18.8
272.05249	0.7
275.02057	2.1
298.59998	0.6
300.99960	2.8
313.05701	2.1
454.29129	0.6
467.04721	0.6
467.11908	4.2
479.22794	4.4
497.24002	1.5
539.21313	0.7
557.22424	100.0
558.22772	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	557.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.5
61.98827	6.5
81.03439	1.3
87.00706	1.1
88.98915	1.3
89.02432	1.7
93.03521	2.9
96.95996	3.0
101.02448	1.2
121.02956	11.6
121.48007	1.3
122.03747	16.4
123.04620	1.3
125.02473	2.7
131.03545	1.4
135.04735	1.5
136.01697	5.9
137.02393	1.4
146.03693	1.4
149.02451	29.6
150.03241	89.9
151.04004	4.6
164.04776	6.3
165.05582	100.0
166.06375	29.3
167.07130	6.7
180.04276	5.7
181.08730	27.7
190.09047	1.3
195.06630	75.6
251.22308	1.4
263.12900	1.4
294.20572	1.3
327.12341	7.6
509.21869	21.4
543.35315	1.3
550.18909	1.6
557.22931	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
57.34536	0.7
59.01385	1.8
62.49803	0.7
67.01894	1.2
69.03460	6.8
71.01389	1.6
71.05029	2.3
71.32889	1.1
80.02695	1.5
81.03458	1.8
83.01389	2.1
83.05018	4.8
84.02187	1.3
86.26334	0.8
95.05000	0.9
97.06593	1.4
108.02178	0.7
109.06644	1.0
111.00881	2.9
118.33987	0.7
123.08161	2.4
125.09753	5.1
135.08192	0.8
146.61478	0.7
149.09801	1.0
151.11307	5.4
153.12863	2.2
159.33589	0.8
161.09737	10.2
163.11304	4.5
165.12880	2.1
166.13243	0.7
179.10800	28.5
180.11134	1.1
181.12376	0.9
185.11864	1.4
191.10756	0.9
197.11847	83.7
198.12207	2.5
209.11850	66.3
210.12172	1.7
223.09807	4.4
227.12901	8.4
241.10799	10.9
246.15031	0.7
297.13495	6.6
315.14490	16.5
389.23096	1.3
422.58511	0.8
507.25531	1.5
525.27075	100.0
526.27478	7.8
557.29779	3.9
568.96497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60445	1.0
59.01387	8.0
61.98824	2.3
65.00337	8.7
67.01899	1.5
70.57612	2.6
71.01392	4.6
73.80183	1.2
79.01907	2.6
79.59203	1.0
81.03471	1.2
89.02435	1.3
93.03440	1.2
95.01398	3.3
97.02950	17.6
101.02434	1.6
107.01390	7.0
110.00115	1.2
111.00880	2.3
113.02460	1.3
119.03486	1.0
121.02955	1.4
123.00900	21.8
124.01708	15.7
125.02466	38.9
126.02783	2.0
133.03000	1.5
136.98854	1.6
137.02449	1.7
137.99628	1.3
139.00381	3.7
140.01186	2.9
141.01950	3.3
145.02968	2.1
149.09630	1.3
150.88582	1.0
151.00389	11.7
151.03918	1.4
153.01961	32.7
154.02264	2.0
161.02512	1.8
163.03957	1.5
163.72005	1.1
166.99834	3.2
168.00703	7.2
169.01443	47.2
170.01759	4.1
173.02449	2.4
173.56390	1.2
175.03912	2.0
175.38733	1.2
181.01443	51.5
182.01939	3.9
183.02985	8.9
185.02440	1.5
189.01952	2.4
191.03479	2.1
193.01498	1.3
201.01955	3.0
203.03435	2.5
211.02486	14.5
212.02762	2.2
217.01456	1.7
217.11012	1.1
228.00679	1.4
229.01509	3.6
230.01802	1.5
231.03032	3.2
233.89850	1.3
241.01372	1.1
243.02908	1.9
245.00932	3.2
247.02382	1.2
249.04016	4.7
257.00912	3.9
258.01602	2.0
259.02420	1.8
271.04666	13.0
272.05035	2.3
273.00372	3.0
274.01151	4.1
275.02029	19.0
276.02292	1.8
276.77097	1.1
285.00403	1.3
287.01794	1.6
298.98871	1.4
299.01810	5.9
299.98996	2.3
300.02325	1.5
300.99985	13.7
301.03168	2.5
302.00293	2.3
303.01529	1.6
313.05710	3.5
315.01520	3.5
317.03101	1.3
329.03165	1.6
365.03165	1.7
382.02429	1.5
391.03085	2.2
439.08646	1.8
457.01776	1.4
458.02917	3.3
467.03781	5.4
557.22479	100.0
558.22784	73.0
559.09595	1.2
559.22919	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	558.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80056	1.4
59.01382	66.0
60.21468	1.5
61.98830	13.2
68.02547	13.3
71.01358	6.0
71.43146	1.2
73.02952	5.3
83.01395	2.0
83.90494	1.1
88.98756	1.0
96.96030	1.7
101.02459	4.1
113.02480	2.1
126.42496	1.2
126.99574	100.0
127.99863	2.2
130.81480	1.1
161.04556	2.7
166.09868	9.1
279.75937	1.3
380.82596	1.3
558.30829	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	558.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52443	0.5
59.01382	100.0
61.98834	1.3
68.02531	2.6
69.03483	0.9
71.01388	13.1
73.02952	35.8
83.01394	8.6
85.02978	1.9
87.00883	0.7
89.02454	4.9
95.01440	0.7
96.71558	0.6
98.21864	0.9
101.02450	26.5
113.02451	10.2
115.35549	0.6
119.03512	3.3
125.02496	1.7
126.99605	3.4
128.56010	0.5
131.03481	2.6
133.40378	0.5
143.03477	2.4
149.04562	3.2
155.03511	1.0
161.04562	7.7
169.12413	1.3
170.12779	0.7
185.45425	0.5
197.11996	1.4
203.05705	1.1
209.11900	1.7
210.12248	0.7
213.13539	0.5
221.06763	2.0
439.86169	0.5
473.61282	0.6
525.27142	0.7
526.27673	2.0
558.29352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.50187	0.2
87.04518	1.4
88.04882	0.3
89.04978	0.2
90.56913	0.2
91.07504	0.2
159.24084	0.2
181.01489	0.3
300.99979	0.3
313.40381	0.2
318.38577	0.2
465.48883	0.2
497.30426	0.4
498.30661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07342	0.2
59.01393	0.3
61.98837	100.0
71.01374	0.2
71.41475	0.2
73.02964	0.3
79.51258	0.2
83.05046	0.8
84.05374	0.2
85.02962	0.3
87.04527	0.4
88.04836	0.2
89.02514	0.2
91.79391	0.2
96.96058	0.3
97.02940	0.3
107.01317	0.2
123.00899	0.2
123.97044	0.2
124.01698	0.2
125.02462	1.0
137.02455	0.2
153.05614	0.3
166.06439	0.3
169.01468	1.2
175.09785	1.2
176.10144	0.9
177.10228	0.5
181.01479	0.2
212.82359	0.2
264.07089	0.2
275.02124	0.4
301.00046	0.5
303.18991	0.2
309.56348	0.3
451.95096	0.2
495.15240	1.2
496.30240	0.4
497.30429	0.6
498.30560	2.8
558.22644	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	558.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17901	0.2
59.01377	1.0
61.98835	100.0
63.99259	0.6
73.02962	1.1
74.03294	0.4
74.88293	0.3
78.15200	0.3
80.96529	0.3
83.05046	0.9
84.56190	0.3
89.02493	0.4
89.79356	0.3
95.01399	0.4
96.96041	1.0
101.06090	1.4
102.06454	0.4
105.01951	0.7
107.01432	0.5
111.00910	0.4
123.00923	0.8
125.02450	1.8
139.00423	0.4
150.03206	0.4
169.01541	0.9
175.09906	0.3
185.02553	0.3
192.53983	0.3
194.09735	0.3
217.01347	0.3
226.02776	0.3
229.01425	0.4
257.00909	0.5
258.01724	0.3
259.02438	0.4
275.01895	0.3
285.00555	0.6
286.00839	0.4
295.02161	0.3
299.99188	0.6
300.99957	0.9
315.01489	0.4
425.01849	0.3
426.02118	0.4
450.99448	0.8
451.99826	0.8
475.90631	0.3
498.31177	0.8
559.26349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
57.89590	0.2
61.98834	100.0
69.67873	0.8
75.66634	0.2
83.05038	0.4
92.78995	0.2
97.02955	0.2
107.01411	0.3
124.01691	0.3
125.02456	6.0
126.02800	0.3
151.00429	0.5
152.01213	0.7
156.16888	0.2
165.02029	0.3
178.99898	0.7
185.57298	0.2
198.90585	0.2
226.02032	0.2
259.02548	0.3
309.03366	0.5
318.03833	3.9
318.54108	0.7
385.02261	0.6
480.19870	0.2
493.04092	0.4
496.30460	0.6
497.30661	0.6
498.30399	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	558.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.19230	2.9
74.92632	0.5
107.65054	0.5
114.77235	0.4
315.14618	0.5
413.34177	0.8
473.36307	8.4
474.36655	1.0
476.36777	0.5
558.34082	21.7
559.34210	1.0
588.75879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72065	2.7
59.01395	3.6
61.98828	18.5
70.93821	2.9
78.79636	3.6
113.27376	3.4
124.23273	3.1
253.09280	14.0
279.23300	100.0
281.24878	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	558.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92042	1.5
59.01382	2.8
61.07741	1.6
61.98845	3.6
71.01401	2.2
79.24487	1.7
83.29260	1.6
89.02470	1.5
101.02456	1.8
142.45454	1.5
168.42976	1.4
212.79529	1.9
253.09286	11.6
279.23322	100.0
280.23636	2.5
281.25046	1.9
365.75000	1.7
465.37302	1.7
511.74164	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	559.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46619	0.9
52.22644	0.9
55.99559	1.2
57.02178	1.1
58.65577	1.3
59.01382	16.1
59.47898	1.0
60.65805	1.0
61.98837	3.3
69.25063	2.8
69.25463	4.0
71.01382	3.4
73.02943	1.8
74.09344	1.1
84.93889	3.2
85.02952	1.4
93.58602	1.3
96.96023	10.6
98.22721	2.1
99.00896	1.1
99.92586	24.3
100.93377	24.8
113.02431	2.2
114.93462	3.2
115.91315	1.9
115.92094	25.5
116.92868	100.0
117.92876	2.8
120.85580	1.1
126.94993	1.6
128.92871	2.7
135.45389	1.1
141.93643	2.6
142.94444	5.8
154.94438	3.6
155.62180	1.1
169.93034	1.2
170.94019	1.2
172.95520	1.3
184.91931	1.8
185.92706	1.9
186.93463	1.6
196.95512	1.6
199.94221	1.3
212.94966	7.1
224.94870	2.4
240.94254	1.2
242.95981	16.0
260.97040	2.0
284.97095	1.2
302.98126	3.4
328.96078	2.8
346.97107	5.8
368.87128	1.2
416.49860	1.1
464.33273	1.3
473.02917	1.6
515.04187	2.0
517.30493	1.3
523.01117	1.4
558.29431	1.2
559.03369	8.4
559.31604	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	559.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35304	5.7
55.76606	5.6
57.97289	6.3
59.01383	18.5
60.13824	5.7
60.55636	6.0
61.43412	6.1
61.98834	17.9
70.98965	5.9
71.01387	22.8
93.03481	12.9
95.01380	7.5
97.02968	7.8
104.63836	5.7
111.00880	7.5
115.00388	15.9
119.05019	24.1
123.00906	29.1
124.01679	10.8
125.02477	53.5
127.70758	5.9
133.01451	50.4
139.00327	6.5
145.02969	8.6
146.28877	5.6
151.00331	8.0
151.52118	6.1
153.01950	16.1
161.02467	9.1
163.04050	24.6
169.01469	51.3
169.67456	5.7
170.01743	10.8
181.01433	14.0
211.02467	11.6
217.01404	9.0
229.01286	15.4
231.86629	6.3
257.01025	10.0
275.02054	30.1
276.02246	6.6
298.98566	7.2
300.99918	29.0
302.00262	9.8
326.35147	5.6
326.90796	6.6
327.08838	58.0
558.22937	49.3
559.07263	11.4
559.23071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93998	1.5
55.19640	1.3
59.01344	1.6
61.98843	2.1
64.82498	1.5
69.13478	10.1
78.95900	8.1
96.41277	1.4
98.22649	2.4
115.01102	1.5
120.25513	1.4
146.43295	1.5
152.99628	2.2
190.87595	1.5
201.30539	1.4
242.07993	2.9
277.21759	100.0
278.21985	3.2
502.29434	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	559.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82180	2.0
60.66872	1.7
61.98816	1.7
69.09820	10.7
69.10243	3.0
73.89184	1.7
78.95911	24.6
79.49081	1.9
80.97460	2.1
81.46559	2.0
91.94329	1.8
98.21920	4.8
101.04580	2.0
124.52863	1.7
141.46538	2.3
149.91824	1.9
152.99599	4.9
168.04378	2.9
220.47433	1.9
224.06940	11.6
242.08090	3.7
277.21744	100.0
278.22162	3.2
317.61380	2.3
452.92938	1.9
485.32648	7.8
502.29449	75.0
503.29849	3.5
537.04541	2.2
559.26074	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	560.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64019	1.7
61.98832	14.6
69.44604	8.3
71.01382	3.4
80.51776	1.4
95.01394	4.7
106.04780	1.4
107.01373	5.6
111.00893	2.2
123.00084	1.4
123.00857	10.0
124.01713	10.0
125.02457	48.9
126.02825	2.3
128.03571	2.3
139.00380	2.9
139.03946	2.0
140.01219	1.9
145.02977	1.9
150.03230	2.9
151.00365	5.8
154.02710	2.3
161.02446	2.4
166.99802	2.5
168.00629	5.5
168.04300	4.2
169.01442	65.0
170.01726	1.9
183.02994	4.3
183.06616	4.6
191.03496	2.3
229.01491	2.2
243.09866	2.1
245.00946	2.1
247.02397	1.7
249.03873	2.1
257.00967	2.4
271.04605	3.3
273.00378	2.2
275.01944	8.1
299.99088	3.2
301.00037	12.1
313.05661	13.0
374.36215	1.7
392.29797	1.6
428.68378	1.7
453.43240	1.7
497.13116	100.0
498.13455	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	560.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03460	0.5
57.20514	0.4
59.01380	5.8
61.98835	12.2
67.01878	0.6
69.03452	1.1
69.88663	0.5
71.01392	5.4
72.99303	0.7
73.02942	2.0
73.23441	0.5
75.00864	1.2
79.01912	0.6
79.29795	0.4
83.01396	1.0
85.02950	2.5
87.00869	0.4
89.02444	1.2
95.01398	1.5
96.96014	2.0
97.02952	1.0
100.59820	0.4
101.02448	2.6
107.01405	3.9
111.00870	1.3
113.02446	2.4
116.92893	2.2
119.03544	0.6
123.00890	12.1
124.01678	7.4
125.02460	18.2
127.00322	0.6
129.01942	0.5
130.52347	0.5
135.04552	0.8
136.98770	0.9
139.00378	2.0
140.01143	1.7
141.01933	2.0
151.00391	8.7
151.04071	0.4
153.01950	0.6
159.03087	0.7
160.04031	0.6
168.00662	4.2
169.01440	32.4
171.10384	0.5
177.04051	5.5
183.81712	0.5
209.11832	1.5
211.02505	1.8
234.58383	0.5
271.04471	2.7
275.02094	0.5
313.05695	2.9
325.20245	0.6
329.05130	1.2
329.11499	1.0
338.11963	2.1
361.37155	0.5
371.09793	7.4
456.16617	0.8
497.20328	100.0
498.20737	6.6
501.30942	1.7
519.31927	0.7
533.50494	0.4
560.29785	0.5
561.29559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28839	8.6
53.53480	7.4
57.87677	6.6
59.01391	8.8
79.63097	7.0
83.23335	7.9
128.25905	6.8
147.00984	7.6
167.32829	8.0
253.09261	17.5
254.09845	7.5
277.21735	100.0
278.22137	64.5
304.66077	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	561.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84511	0.6
55.78033	0.6
59.01376	2.8
69.03445	0.7
71.01389	7.9
71.06140	1.0
85.02955	6.8
89.02450	1.9
95.01389	2.9
96.96043	1.2
97.02959	1.3
107.01419	5.8
113.02456	8.7
123.00889	3.4
124.01677	2.7
125.02461	52.5
126.02766	1.1
128.03609	0.7
132.66827	0.7
137.02530	0.7
138.91019	0.6
139.00418	0.7
143.03543	1.5
148.45633	0.7
151.00435	1.4
151.04048	0.8
161.02394	0.8
165.01894	1.0
168.00668	1.7
169.01440	100.0
170.01782	2.0
177.05765	0.7
178.62045	0.7
181.08690	1.0
203.03465	0.7
211.02483	7.8
241.03545	9.1
245.01093	0.8
266.53528	0.7
271.04538	5.9
272.49713	0.7
272.71359	0.8
275.01712	1.3
281.05838	0.8
295.04596	9.9
300.99939	4.4
302.00345	1.2
313.05682	37.3
314.05957	1.5
331.06766	1.6
429.10483	2.2
443.92813	0.8
449.88959	0.7
463.10974	46.1
464.11353	2.1
561.14203	10.7
562.15497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
76.75523	5.9
95.01418	7.3
96.52696	5.3
103.69449	5.6
109.02945	10.5
111.04524	10.8
114.30040	6.4
121.02952	10.4
121.55071	5.6
123.00892	11.5
123.04567	10.9
125.02457	89.9
128.03590	12.6
137.02438	64.4
139.04025	22.0
148.84470	6.4
149.02472	49.3
150.46097	6.4
151.04001	7.0
160.78094	6.7
163.00375	16.2
165.01947	74.4
167.03510	29.0
169.01407	7.1
175.04048	6.5
176.01125	7.0
177.01990	25.2
179.03436	6.1
185.06128	6.4
191.03516	14.8
229.04855	6.7
231.06630	100.0
243.09891	17.1
245.40620	6.5
255.14641	5.6
273.07660	50.2
300.99866	14.2
317.06671	93.1
358.67587	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	561.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63511	1.4
55.30277	1.4
56.64801	1.3
69.03465	2.1
69.31056	1.3
69.39215	7.1
71.05031	2.0
81.03474	2.8
82.70521	1.3
83.01408	4.8
93.03463	4.1
95.01400	2.2
96.96007	1.8
97.02998	2.7
105.03505	2.5
109.02982	13.7
111.04530	6.0
111.16820	1.5
121.02976	4.5
123.00908	5.7
123.04538	5.2
124.01682	5.0
125.02463	67.5
127.05150	1.7
128.03563	6.0
135.04530	1.8
137.02464	51.4
137.03520	2.5
139.04041	25.3
145.06184	2.9
147.04541	5.0
149.02466	59.8
150.03152	2.2
151.04019	7.2
163.04059	2.7
165.01935	2.6
167.03522	26.5
169.01488	2.7
175.04099	1.7
176.01117	7.0
177.01964	25.6
178.02763	1.7
179.03503	3.4
185.06096	2.7
191.03519	16.9
192.04344	1.6
203.07152	1.7
213.05522	3.8
215.03549	1.4
229.01489	3.3
229.05028	7.2
231.06642	91.6
232.07047	2.6
239.05486	1.9
243.09940	9.3
245.00943	2.4
257.00903	2.0
273.07733	48.0
275.02020	4.5
283.99710	1.4
299.05594	4.7
300.99957	20.4
302.00259	3.2
308.04749	1.4
317.06705	100.0
318.07007	3.0
356.95474	1.4
394.25662	1.5
450.99329	3.8
468.77902	1.4
488.94827	2.9
529.11584	1.5
557.24744	1.5
557.33551	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	561.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24321	1.4
55.75100	1.5
59.01386	8.8
61.07106	1.2
63.17364	1.4
63.72944	1.5
71.01368	2.5
85.02959	1.7
89.02457	1.8
93.15902	1.3
96.96021	1.6
98.22605	3.8
101.02438	3.2
101.11101	1.8
105.97466	1.9
109.02946	1.8
117.74377	1.4
121.02984	5.1
122.03756	3.1
136.01675	73.4
137.02496	3.7
151.04025	100.0
152.04346	2.6
160.05261	2.1
163.04097	1.6
163.06128	1.7
181.05080	1.8
342.11188	3.7
357.13474	77.6
358.13696	4.6
453.87704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
69.73866	0.8
85.02953	0.4
92.02680	0.5
93.03461	0.7
108.02192	1.9
113.48555	0.3
121.02970	5.5
122.03767	3.1
134.03738	1.1
136.01675	73.0
137.02541	2.3
149.06093	0.5
151.04021	100.0
152.04359	1.8
159.04579	0.5
159.08145	0.3
160.05296	1.6
162.03282	1.4
163.04051	0.9
165.60605	0.4
169.01421	0.4
175.03912	0.4
175.07658	1.2
176.04796	0.6
177.05597	1.0
179.03513	0.6
180.24782	0.5
188.77364	0.4
206.05882	0.5
311.12888	0.5
342.11166	3.9
357.13474	78.4
358.13855	3.3
470.42981	0.4
474.88297	0.4
511.67126	0.4
583.85797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19883	0.4
59.01388	5.6
64.10973	0.5
67.01922	0.5
68.19329	0.4
71.01381	2.9
73.02943	0.6
76.76669	0.4
82.00627	0.6
83.01400	0.5
86.00065	0.5
89.02455	2.4
96.96017	0.6
98.21868	0.7
99.00835	0.6
101.02440	1.4
101.43415	0.4
107.01398	4.7
109.07760	0.5
111.00907	2.1
113.02440	0.6
116.92891	0.4
119.03521	0.5
123.00885	3.7
124.01671	17.2
125.02464	28.8
127.00376	0.8
136.98816	1.0
137.02512	0.5
139.00404	1.6
139.03978	0.7
140.01186	2.8
141.01894	0.6
149.02431	0.5
149.04564	0.8
151.00392	2.8
160.46764	0.4
165.01938	0.7
166.99878	0.6
167.03525	1.5
168.00658	15.6
169.01445	42.2
170.01753	1.0
172.08965	1.4
179.74739	0.4
183.03065	0.5
187.07635	0.6
187.11383	0.6
211.02499	71.1
212.02847	1.3
229.12341	0.9
238.87544	0.4
241.03589	1.9
271.04620	100.0
272.04944	2.1
313.05609	1.9
331.06708	11.4
332.07104	0.6
543.18713	2.8
561.19843	57.6
562.19867	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	561.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29249	8.5
51.33713	8.0
59.01382	92.9
61.98841	11.9
68.10999	7.8
69.93953	19.9
69.94321	19.4
78.91910	12.0
83.05024	11.0
96.19936	9.5
97.06619	12.5
109.06595	69.8
123.08148	11.6
125.09729	38.5
146.25359	8.9
163.11221	34.1
171.10277	14.6
175.11224	10.6
207.10263	92.8
209.11792	34.1
225.11400	65.2
263.12839	18.5
348.06961	8.4
365.23932	11.5
371.18494	15.3
435.23828	24.4
445.22421	49.7
453.30469	10.6
463.23434	100.0
464.23932	13.7
489.25003	31.5
501.32324	46.0
507.25906	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	561.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17596	1.2
61.98821	1.3
65.81468	1.2
70.95860	1.9
71.83125	1.5
78.95906	5.2
85.60889	1.3
93.56852	1.2
120.15964	1.3
122.76287	1.4
136.68330	1.3
152.99619	3.4
154.89851	1.5
166.17433	1.3
227.07524	1.5
242.07870	2.2
279.23322	100.0
280.23615	3.7
504.31042	35.7
513.31848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42973	3.2
78.95909	15.8
98.22655	6.2
132.59935	3.1
152.99684	4.5
224.06976	5.6
229.20648	3.0
279.23288	100.0
280.23636	4.0
504.30994	69.6
505.31628	3.6
533.85944	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	562.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53085	8.6
59.01378	16.8
61.98825	13.7
62.59798	8.2
64.42382	9.4
66.63209	9.2
69.18938	29.1
69.19347	21.6
71.01383	16.5
95.01416	13.1
96.96030	22.4
98.22636	18.6
107.01399	12.7
109.35979	7.9
123.00956	41.2
124.01696	16.8
125.02474	57.9
136.01697	40.4
136.98743	8.5
151.00374	15.5
151.04027	71.3
161.80745	7.8
166.99866	15.1
168.00624	17.9
169.01428	58.3
189.05524	13.9
211.02512	17.3
218.18079	9.0
227.76643	8.5
271.04645	12.5
300.99838	16.7
319.29922	9.1
329.13818	12.4
357.13437	100.0
411.09387	9.7
525.22833	10.1
526.23657	22.4
545.49701	8.9
562.11792	26.6
562.20184	23.4
562.27814	19.1
563.10779	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16684	0.7
59.01380	3.9
61.98834	100.0
76.31708	0.8
77.38268	0.9
81.30511	0.8
89.36353	0.8
98.21873	1.9
115.40901	0.9
130.59224	0.9
135.04529	0.9
152.99388	0.8
171.10300	1.2
236.84552	0.8
413.93405	0.9
568.73407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
61.98830	5.1
68.88148	1.5
71.41846	2.0
94.95730	1.8
111.11554	1.5
132.63412	1.5
132.99245	1.7
134.97076	67.5
135.97162	9.4
136.96780	57.5
137.94524	2.2
155.82324	1.6
176.98122	51.1
177.98265	7.8
178.97835	43.3
179.95561	2.7
234.97076	2.8
236.96992	2.8
276.95190	1.6
276.98248	58.1
277.98370	20.2
278.97983	100.0
279.95407	2.2
279.98135	4.4
294.96036	2.4
318.99341	6.7
319.99414	2.0
320.99118	13.3
420.99350	4.1
502.97815	4.7
550.20105	1.7
562.97308	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	563.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17996	4.3
67.13394	4.1
68.08230	3.9
69.75258	3.6
98.21808	10.2
110.85749	3.8
123.00890	13.9
124.01678	13.8
125.02480	24.1
150.03314	9.3
151.00368	6.5
162.99518	4.4
165.05547	13.5
167.49464	4.1
168.00620	5.0
169.01450	52.9
173.51227	3.8
183.03108	5.9
200.06712	4.6
285.06186	5.0
313.05615	15.2
377.23264	5.0
479.12079	31.7
527.14038	100.0
528.14545	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	6.8
64.65151	7.5
69.65249	31.3
79.62497	7.0
98.22598	14.1
116.92921	10.6
120.12997	6.4
123.00867	12.0
124.01762	11.0
125.02461	35.1
150.03253	10.4
163.35924	7.4
165.05594	8.5
169.01440	61.8
211.02426	8.5
255.51395	7.3
271.04376	8.6
275.01984	8.8
300.99933	18.8
313.05551	22.7
479.12128	16.9
518.11292	8.7
527.14008	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	563.1408
Annotation	Vicenin 1
Peak:m/z	Relative Intensity
52.90260	0.5
56.53160	0.5
59.01379	1.0
69.75281	1.9
79.01867	0.5
91.05579	0.5
93.03468	2.1
99.64442	0.5
109.02951	1.3
111.00876	0.6
117.03472	4.8
119.04989	1.2
121.99996	0.6
123.04502	0.7
125.02497	1.0
126.36962	0.5
135.04523	2.5
147.04454	0.6
149.02486	1.1
159.04532	1.0
161.02460	2.2
163.04034	1.9
167.29089	0.6
169.01424	0.7
171.04504	0.7
173.06134	1.0
175.04050	1.2
177.05602	1.1
187.04073	0.5
189.01971	0.6
189.05661	1.1
191.03503	1.5
203.03494	1.2
205.05103	0.7
221.04544	0.8
233.04585	1.1
241.05231	0.9
251.07190	0.6
267.06622	0.6
268.07574	0.9
282.05344	2.3
283.06174	2.9
293.07968	0.6
295.06085	4.7
296.06873	5.0
297.07684	16.7
298.08212	0.6
307.06100	2.4
309.07739	2.1
311.05554	3.6
321.07675	0.6
323.05527	3.9
324.06335	1.1
325.07224	7.2
328.05939	2.0
335.05759	1.2
337.07306	2.5
344.12674	1.6
351.05075	0.7
353.06699	37.0
354.07095	1.9
355.08124	0.9
359.14993	5.3
365.06726	6.1
383.07736	26.1
384.07767	0.8
389.06268	0.7
395.07642	3.7
407.07794	0.6
413.08832	3.6
425.08823	1.4
443.09879	10.4
444.09949	0.7
451.89023	0.7
455.09918	0.9
473.10843	8.3
503.11945	1.8
545.13159	1.0
563.14081	100.0
564.14392	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	563.1775
Annotation	Aloinoside B
Peak:m/z	Relative Intensity
55.01862	0.5
57.03443	0.8
59.01387	26.5
61.98835	6.8
67.01892	0.6
69.03447	0.5
69.29479	0.5
71.01387	11.4
73.02938	0.8
79.01874	0.7
82.95422	0.8
83.01391	1.0
85.02966	3.0
85.03843	0.7
85.41232	0.5
87.00849	0.8
89.02454	14.8
95.01402	2.3
97.06609	0.6
98.21790	0.9
99.00921	0.8
101.02451	8.7
107.01392	2.9
109.02940	0.7
111.00879	1.6
113.02448	4.9
119.03506	3.9
119.17019	0.5
123.00890	7.5
123.04522	0.6
124.01678	8.4
125.02467	17.4
131.03514	0.7
134.03760	0.9
135.04567	0.7
136.98872	0.7
139.00356	1.9
140.01152	2.1
141.01976	0.7
141.35983	0.5
147.04475	0.7
149.04524	1.0
151.00375	2.4
151.03952	0.8
158.03761	0.6
159.04532	1.8
160.05299	2.2
161.04575	0.6
161.06047	0.6
166.99805	0.6
167.03516	0.9
168.00652	5.4
169.01443	22.5
172.05264	1.4
173.06096	2.8
175.07602	1.5
178.06337	0.9
179.03493	0.7
187.04018	1.7
187.07689	10.9
189.05536	0.6
195.49442	0.6
201.05579	2.3
202.06371	20.5
203.06778	0.8
203.10690	1.0
211.02495	19.5
213.09233	1.0
216.07944	1.0
217.01408	0.5
225.14873	0.5
231.10268	18.2
232.10512	1.0
249.11311	1.3
271.04636	22.6
275.02106	1.5
299.99014	1.2
300.99805	1.3
313.11539	0.6
329.13943	5.8
331.06628	1.1
387.20035	1.3
393.15634	3.3
411.16699	14.7
503.19095	1.1
521.20642	0.8
545.16663	9.8
546.16852	1.1
563.17712	100.0
564.18073	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	563.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80419	0.3
54.06078	0.3
59.01382	1.8
59.16713	0.3
61.71474	0.3
69.10629	0.6
69.11031	1.3
71.01372	0.7
73.02956	0.4
82.95420	0.3
88.68322	0.3
89.02464	0.5
96.96024	1.4
98.22610	0.7
101.02434	0.4
109.02982	0.4
113.02507	0.3
121.02972	3.5
122.03756	2.4
123.00889	0.8
123.04498	0.3
124.01676	0.5
125.02470	0.8
131.10651	0.3
135.04558	0.6
136.05273	1.7
137.02396	0.4
137.06091	0.4
143.05017	0.7
145.02882	0.3
147.04526	2.4
149.02483	1.0
150.03244	2.0
151.04018	0.4
153.05574	0.3
158.03732	3.0
159.03195	0.5
159.04524	10.3
160.05312	30.2
161.06093	8.9
163.04004	1.8
164.04793	2.7
165.05704	0.3
169.01440	1.2
173.06090	4.5
174.06871	2.0
175.07651	26.0
176.04756	0.6
176.08006	0.6
177.05598	4.0
178.06369	15.3
191.03496	2.7
192.07930	7.8
193.08722	2.8
235.02441	1.0
274.01062	0.3
275.01941	0.4
299.99136	0.7
300.99951	1.2
309.35251	0.4
314.11554	1.0
329.13956	100.0
330.14301	4.5
341.13947	0.4
359.14886	1.9
401.16290	0.4
413.38211	0.3
472.13995	0.3
473.18311	1.1
500.18851	0.3
503.19315	0.9
563.10834	0.6
563.18536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41650	0.3
59.01385	3.4
69.58161	1.4
71.01379	2.5
72.70235	0.3
72.89816	0.3
73.02945	0.6
73.23677	0.3
83.01397	0.3
83.04996	0.3
85.02968	0.8
87.00903	0.5
89.02455	1.5
95.01387	0.7
96.96007	1.4
97.02950	0.5
98.22593	0.5
101.02441	1.5
101.75623	0.3
107.01399	1.4
108.02213	0.8
108.02947	0.3
109.02973	0.8
111.00915	0.5
113.02458	1.1
119.03513	0.7
119.05064	0.3
121.02953	3.9
122.03757	1.3
123.00883	2.6
123.04573	1.3
124.01686	2.7
125.02451	8.6
135.04509	1.0
136.05309	1.2
137.02463	0.4
137.06038	0.6
138.87138	0.4
139.00414	0.6
140.01178	0.4
141.02026	0.4
143.05043	0.7
145.02960	0.5
146.03773	0.5
147.00929	0.5
147.04497	2.3
149.02435	1.3
149.06061	0.5
150.03270	2.3
151.00394	1.6
158.03738	2.2
159.04533	8.7
160.05310	28.9
161.02449	0.4
161.06091	7.7
163.03976	2.1
164.04829	3.5
166.99898	0.5
168.00612	1.2
169.01440	10.3
170.01770	0.4
173.02386	0.3
173.06107	3.6
174.06856	1.2
175.07655	23.8
176.04874	0.7
177.01985	0.7
177.05586	4.7
177.98697	0.4
178.06367	12.9
179.03471	0.5
187.07684	0.5
191.03500	1.5
191.07074	0.7
192.07951	6.9
193.08684	2.8
202.06326	0.4
211.02522	1.1
215.03340	0.4
217.01498	0.6
228.00755	0.3
229.01387	0.6
231.10168	0.7
239.07027	0.5
247.02457	0.6
249.03914	0.5
257.00964	0.6
258.01828	0.4
267.16092	1.1
269.08121	0.4
271.04630	1.3
272.05063	0.4
275.01886	2.1
298.98193	0.4
299.09290	0.5
299.12524	0.4
299.99054	0.8
300.99951	1.8
311.09244	0.9
313.05743	0.6
313.11496	0.5
314.11490	2.0
329.13950	100.0
330.14346	4.4
341.13934	0.9
352.90564	0.4
353.06619	0.4
359.14847	2.2
371.14835	0.5
401.15067	0.4
411.09396	3.6
411.14539	0.5
411.16882	0.5
417.00684	0.3
433.17715	0.4
467.03714	0.8
487.07047	0.5
521.29498	0.4
545.12451	0.7
563.10406	9.0
563.18335	4.0
563.28479	0.4
564.10980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04403	8.3
59.01387	100.0
60.53696	7.5
61.98841	13.6
66.11610	10.4
69.48206	7.5
69.48695	7.4
71.01389	39.5
73.02953	91.1
83.01400	23.1
85.02955	15.5
89.02454	22.6
101.02454	47.5
113.02463	31.4
123.00870	8.5
125.02465	23.7
161.04613	15.0
169.01427	20.3
271.04633	15.3
283.09814	25.9
311.09341	75.5
326.11615	39.3
341.13956	80.5
344.63403	8.8
451.87891	9.5
533.20764	10.4
563.20593	18.6
563.28400	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	563.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75826	1.0
59.01376	4.0
61.98836	2.3
78.67949	1.0
80.02680	1.9
81.03475	4.5
83.05022	7.1
84.02196	1.4
87.00896	1.8
97.02966	3.5
109.06603	22.7
109.07354	1.2
110.03760	1.2
113.00925	1.2
121.06657	1.3
125.06074	1.5
125.09731	3.7
131.55676	1.2
135.08176	2.2
136.05296	1.7
161.09717	1.4
163.11288	15.7
165.12856	3.0
168.17944	1.0
170.17178	1.1
171.10277	2.6
177.01968	3.1
181.12392	3.2
185.11865	4.4
189.09331	1.9
191.10750	1.3
193.32005	0.9
207.08318	1.8
207.10287	49.2
209.11845	100.0
210.12268	3.6
211.13603	1.4
225.11356	23.7
227.12936	9.4
299.14963	4.4
373.23846	1.8
473.25473	4.0
491.26773	1.8
510.28238	3.1
563.25403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06108	0.4
55.01887	2.4
57.03449	4.3
59.01385	100.0
61.98837	10.8
66.88911	0.4
68.99858	0.4
69.03470	1.5
69.36688	1.9
71.01389	18.9
72.99307	1.0
73.02955	7.4
75.00877	0.5
81.03460	0.6
83.01391	5.3
83.50666	0.4
85.02959	11.8
85.03470	0.9
86.00131	0.8
87.00878	2.5
87.57855	0.4
89.02454	2.6
95.01406	2.5
96.96011	1.4
97.02975	2.3
98.21941	0.6
99.00910	3.0
101.02455	13.7
107.01424	0.8
108.02196	1.3
109.02972	1.1
111.00894	2.6
111.08169	1.1
112.01723	0.6
113.02468	9.6
114.38866	0.5
115.04021	1.0
117.03457	0.5
119.03529	0.5
119.05108	0.4
123.00932	1.5
123.04579	0.6
124.01685	2.6
125.02462	5.1
127.11292	2.2
129.01921	0.5
135.04614	0.7
137.09717	2.8
141.01884	0.5
143.03554	1.7
145.01552	0.6
145.02957	1.6
151.00340	0.8
151.03976	1.0
152.01199	2.0
153.01994	0.9
153.05688	0.4
153.12894	1.6
155.10809	5.1
157.12367	1.7
159.02997	1.2
161.04527	2.3
165.05569	0.6
168.00679	2.3
169.01443	5.8
173.11874	0.6
178.44589	0.5
201.14989	5.4
211.02461	5.2
230.15219	3.2
235.02451	0.7
245.17871	0.5
253.09227	0.5
271.04614	8.7
300.99948	0.6
301.16663	0.5
327.21875	1.1
331.06647	2.5
341.27023	1.8
350.75711	0.5
357.26587	1.3
359.28058	15.8
360.28442	1.0
411.20239	1.5
413.29102	0.7
433.28146	0.9
435.74289	0.5
436.55399	0.5
455.30093	0.9
466.11414	2.3
467.30237	0.7
473.31183	1.4
485.31168	1.5
503.32297	88.5
504.32562	5.4
521.33356	32.2
522.33417	2.7
528.01257	0.5
545.33490	1.3
563.21210	4.5
563.34259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71137	0.5
51.36503	0.4
59.01383	100.0
60.01727	0.4
61.98842	0.9
63.21505	0.4
65.12952	0.4
69.69461	1.7
81.38697	0.4
101.57460	0.4
125.39740	0.4
136.20576	0.4
160.64526	0.5
209.11920	0.7
225.87700	0.4
409.31204	1.0
441.33856	0.7
474.64801	0.4
503.33893	4.6
504.34338	0.6
563.35840	5.2
563.43188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85448	0.6
54.89848	0.6
59.01386	4.8
61.98819	2.1
67.01910	1.0
69.03462	1.5
69.04606	4.8
71.01396	3.4
73.02943	0.8
76.85690	0.6
79.01900	0.8
81.03490	0.7
83.01349	0.6
85.02966	0.7
89.02435	1.3
95.01393	2.2
96.96059	0.8
97.02960	1.2
100.07530	0.6
101.02470	1.6
107.01405	10.6
111.00896	2.1
111.52699	0.6
113.02467	1.9
123.00896	13.1
124.01676	13.7
125.02464	45.4
126.02782	1.0
135.04507	0.8
136.98807	1.6
138.76495	0.6
139.00400	3.2
140.01178	2.4
143.03566	0.7
151.00389	7.2
153.01929	1.1
163.04073	0.6
165.05643	0.7
166.99898	1.1
168.00664	8.8
169.01447	61.1
170.01755	1.0
177.01907	0.9
193.01413	0.7
193.04948	0.6
211.02501	17.4
211.04535	0.9
241.03467	1.1
255.02980	1.2
257.00888	0.8
271.02640	1.3
271.04739	13.7
275.02057	1.6
295.04697	1.4
299.99429	1.1
300.02719	5.0
300.99933	2.2
313.05746	5.9
325.00076	0.9
331.06714	0.9
340.99164	1.0
379.53824	0.7
394.11441	5.0
407.00485	4.8
412.12564	8.1
424.00800	9.4
431.04019	0.8
475.06894	1.8
478.83359	0.7
483.07776	4.7
493.08218	1.0
501.19778	9.7
505.15833	0.7
521.07330	8.0
564.13635	100.0
565.05664	0.7
565.13556	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	564.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45973	0.5
59.01382	1.9
60.65928	0.6
67.01878	0.5
69.03447	0.8
69.14257	1.4
69.14685	2.2
71.01395	2.2
76.02392	0.5
78.01151	0.5
79.01891	0.6
81.03467	1.2
83.01431	0.5
83.21954	0.5
85.02950	1.0
87.00886	0.7
95.01369	1.8
97.02961	1.1
98.21883	1.3
101.02473	1.2
107.01399	7.6
111.00882	1.3
113.02489	1.3
118.58019	0.5
121.02983	0.6
123.00896	9.1
124.01675	12.5
125.02462	38.9
126.02790	0.7
137.02467	0.8
139.00394	2.1
140.01167	1.6
146.12807	0.5
147.04468	0.7
151.00348	4.2
153.02005	0.6
167.03474	1.0
168.00655	6.8
169.01442	49.1
170.01747	0.8
183.02879	0.7
193.01541	0.9
211.02504	14.8
237.04076	0.6
253.03571	0.7
269.11270	0.7
271.04614	12.2
295.04681	1.2
303.00549	0.6
313.05539	4.2
314.11172	0.6
329.13913	0.6
361.16614	2.0
394.11514	4.6
410.02072	0.5
412.12567	8.0
434.58130	0.6
483.07849	3.4
501.20261	0.8
525.59827	0.7
564.13617	100.0
565.13922	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	564.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57958	0.4
57.03456	0.4
59.01388	2.3
61.98839	1.5
62.74338	0.4
67.01919	0.7
69.03461	0.9
69.13759	2.7
71.01395	2.6
72.99323	0.5
73.02950	0.8
79.01887	0.5
81.03452	1.2
82.00621	0.5
83.01410	0.5
85.02956	1.6
87.00874	0.7
89.02448	0.9
93.03440	0.5
95.01408	2.3
97.02949	1.2
101.02457	1.7
107.01404	8.7
111.00877	1.5
113.02453	1.1
123.00911	11.2
124.01675	11.7
125.02466	40.6
126.02791	1.0
127.00370	0.6
136.98840	1.0
139.00391	2.6
140.01163	2.1
151.00389	6.3
151.04001	0.9
153.01976	0.8
161.02475	0.5
163.02533	0.7
163.04004	0.7
165.05505	0.5
166.99895	1.3
168.00708	5.0
169.01447	49.6
170.01790	0.9
179.03479	0.8
181.01350	0.5
193.01434	0.9
193.05168	0.6
211.02463	1.8
237.04100	0.7
253.03600	0.5
271.04834	0.6
275.01822	0.5
295.04510	2.0
301.00159	0.5
313.05695	7.7
361.16681	0.5
367.10437	0.9
385.11441	1.5
394.11554	4.4
395.12045	0.6
407.00568	0.5
412.12479	13.5
413.12561	0.7
424.00519	0.5
434.85596	0.5
465.00882	0.6
465.06812	2.1
495.28140	0.6
505.21103	0.9
521.07092	1.4
537.11908	0.8
564.13617	100.0
565.06519	0.6
565.14270	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	564.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.1
61.98833	6.7
63.97522	0.6
67.01892	1.3
69.03441	0.9
69.66570	0.8
69.66946	1.2
71.01394	3.8
73.02928	0.6
75.71333	0.5
79.01897	1.4
83.01406	1.0
85.02934	1.4
87.00838	0.6
89.02449	1.6
95.01392	2.0
97.02956	1.3
99.00880	0.6
101.02439	2.9
107.01395	7.5
110.30301	0.5
111.00887	1.8
113.02398	1.3
116.92878	0.8
123.00896	15.9
124.01675	10.8
125.02457	37.1
126.02777	0.8
127.00315	0.6
136.98834	0.7
137.02434	1.1
139.00391	2.6
139.03978	0.7
140.01184	2.9
141.01933	2.6
151.00388	11.8
151.04092	0.9
153.01878	0.5
154.34163	0.5
165.01894	0.6
168.00659	6.1
169.01440	49.8
170.01741	1.0
174.72511	0.6
179.03511	0.9
193.01372	1.0
194.26143	0.5
211.02501	10.1
241.03386	1.0
253.03641	0.9
261.00345	0.6
271.04639	11.2
295.04489	0.9
300.99734	0.7
313.05640	5.6
394.11316	2.3
398.49951	0.6
412.12531	4.1
424.00699	0.6
483.07651	2.1
501.19821	100.0
502.20285	5.1
564.13635	51.5
565.14142	4.9
594.09821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04262	3.3
58.88657	3.4
59.01384	100.0
59.45380	3.6
66.81300	3.7
67.50461	3.7
71.01385	57.7
85.02959	10.9
87.00863	4.2
89.02448	99.3
94.33303	3.8
101.02458	26.4
113.02469	24.5
119.03507	36.2
143.03474	6.0
161.04597	6.9
179.05620	21.1
255.10260	5.7
266.05487	3.8
276.18625	3.6
283.09802	23.8
311.09277	69.9
311.12619	6.0
312.09308	5.1
326.11600	44.7
341.13922	66.2
521.07495	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	564.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88102	2.4
55.61102	2.3
59.01385	20.4
61.98838	3.4
71.01385	7.0
71.43332	2.3
82.95425	2.8
89.02465	10.9
96.67444	2.4
101.02441	2.9
123.00877	4.0
124.01654	2.4
125.02473	8.2
126.81990	2.8
139.00400	2.2
160.01756	5.3
169.01422	7.0
202.75362	2.3
218.69389	2.3
242.09552	4.8
257.11816	2.9
259.60220	2.2
270.08945	4.5
282.09021	3.3
285.11313	7.1
298.08469	7.6
311.09305	5.0
313.10703	6.6
325.10870	8.4
326.07990	8.1
326.11536	4.0
337.63858	2.8
340.13211	3.5
341.10291	51.5
341.14020	4.1
356.12524	19.2
371.15002	100.0
372.15225	3.5
501.19653	3.8
504.19449	11.0
532.02380	2.6
564.21851	5.7
565.22821	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	565.0483
Annotation	uridinediphosphoglucose
Peak:m/z	Relative Intensity
52.74277	0.4
59.69672	0.4
59.92612	0.3
60.88684	0.4
62.96413	0.9
70.28747	1.0
78.95913	100.0
96.96084	1.9
96.96972	36.4
111.02010	8.5
120.96980	1.7
136.04131	0.4
136.94002	0.4
138.98082	2.2
150.98004	2.1
151.34886	0.4
156.11632	0.4
158.92558	14.6
162.98061	0.7
164.03526	0.6
174.97951	1.1
176.93568	1.1
178.95058	0.6
192.99084	1.0
211.00146	4.0
223.00198	0.4
241.01207	7.1
259.02133	0.6
272.95746	4.4
280.02271	1.2
305.01846	1.3
320.97974	2.6
323.02881	56.3
324.03094	1.3
378.81210	1.2
379.81332	0.5
380.81192	1.3
384.98413	3.6
402.99496	1.8
420.82230	1.5
421.82742	0.8
422.81891	2.0
436.78308	0.4
564.83380	0.8
565.04816	18.0
566.05420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01385	13.9
61.25578	0.6
61.98828	1.4
67.01893	1.0
69.03441	1.0
69.17561	0.6
69.92136	1.8
70.64449	0.6
71.01051	0.6
71.01395	4.2
73.02935	1.5
75.00850	0.6
79.01868	0.6
81.03433	1.1
82.00621	0.6
83.01388	1.8
84.08968	0.6
85.02950	2.3
87.00880	1.2
87.55607	0.5
89.02461	1.5
95.01389	2.8
96.95976	0.9
97.02983	0.9
98.21934	0.8
101.02459	4.2
107.01404	6.1
109.02982	1.0
111.00875	2.5
113.02448	2.7
123.00903	12.9
124.00856	1.1
124.01681	14.9
125.02463	30.6
127.00420	1.0
134.03728	0.6
135.04538	3.0
136.98819	1.4
139.00395	4.2
140.01122	2.7
141.01892	1.9
145.02936	0.8
149.02422	0.8
149.05972	0.8
151.00383	6.9
153.01949	1.5
158.10536	0.6
166.99835	0.7
168.00645	8.7
169.01442	37.5
170.01802	0.8
175.03899	0.7
179.03484	1.6
193.01357	0.8
193.05089	0.6
211.02525	2.4
271.04553	2.4
279.02985	0.7
285.00452	1.4
297.00525	1.0
297.97522	2.7
312.99969	5.4
313.05731	2.1
314.00687	3.5
323.01941	2.2
324.99887	3.7
326.00555	0.7
328.02414	5.5
335.01907	1.5
343.01544	0.7
343.04654	8.2
351.01413	3.5
352.02151	2.0
352.99170	0.7
361.29254	0.9
367.00842	1.2
379.13910	0.7
380.01633	1.3
391.00723	5.4
395.13525	5.7
413.14557	24.8
414.14902	1.0
421.09216	2.2
449.08810	2.9
459.06876	1.3
468.09048	1.1
505.33865	5.5
521.07306	35.2
522.07703	4.4
522.32819	0.6
523.34631	1.6
535.20325	0.7
565.07385	3.4
565.15570	100.0
565.22687	5.8
566.15649	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
59.01387	46.2
71.01389	24.0
71.40517	1.2
72.99287	2.3
73.02902	1.9
83.01365	1.6
85.02965	6.3
87.00869	1.7
89.02457	29.9
95.01355	3.3
96.95969	4.4
97.02929	1.5
99.04470	3.9
101.02461	14.1
107.01349	1.3
111.04476	2.0
113.02467	13.2
119.03530	11.0
119.04994	3.2
123.00851	2.7
125.02471	8.5
127.30741	1.1
131.03526	1.8
133.10190	1.2
135.04524	1.9
135.11751	5.3
143.03456	2.9
145.01419	1.4
147.04501	1.3
151.00319	1.6
161.04475	3.5
161.09773	7.2
163.03970	3.5
169.01472	11.4
179.05666	8.0
179.10806	35.2
180.11066	1.1
205.08653	2.1
221.11786	1.5
223.09778	100.0
224.10008	2.7
241.10809	1.5
242.99191	2.5
256.61707	1.1
265.10663	4.2
268.27893	1.2
270.98929	10.9
275.01871	1.7
283.09570	1.4
298.98358	17.9
299.99130	55.4
300.99768	9.2
313.05453	5.2
324.99631	1.4
331.11664	1.6
353.06589	1.2
354.07007	1.8
355.07233	2.4
359.16782	3.2
385.15109	15.8
388.86426	1.5
403.16132	51.4
404.15811	1.6
407.00354	2.6
424.00458	4.3
428.82385	1.4
432.03214	3.2
433.04276	19.1
445.10748	1.2
445.17010	1.5
477.09912	4.9
493.07080	1.4
516.90070	1.4
521.07343	7.9
551.19562	1.3
565.07867	48.1
565.21539	11.2
566.08203	4.2
566.22034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93526	1.3
55.01872	1.4
57.03441	5.9
59.01385	83.0
67.19213	1.6
69.03431	2.0
69.61473	1.7
69.61832	4.0
71.01391	12.7
71.05034	1.9
73.02950	6.1
79.05527	1.8
83.01395	1.9
85.02966	3.8
87.00861	9.0
89.02447	3.9
95.01370	1.9
96.10843	1.2
96.96079	1.4
97.02949	3.7
98.22606	1.7
99.00884	1.9
99.04565	2.3
101.02444	13.0
113.02449	2.8
119.08652	2.9
121.06605	1.8
125.02453	10.8
131.03506	1.4
133.10265	3.3
135.04581	1.9
135.08170	5.8
137.09724	12.5
145.01474	1.4
149.06081	1.8
153.09224	1.5
156.37170	1.5
159.11755	4.3
161.04568	2.5
161.09741	11.6
162.98906	1.3
163.07674	8.8
169.01447	3.7
179.10817	10.4
181.08688	13.1
197.11833	51.7
205.08614	1.7
221.03191	1.6
221.06628	11.3
223.09816	18.1
241.10828	49.3
283.11902	27.4
284.05731	1.7
285.00351	1.8
299.99097	2.7
301.00000	3.8
312.99927	5.0
313.12967	11.6
314.00638	2.5
323.01862	1.8
324.99869	6.3
339.98535	2.6
340.99347	4.8
343.14029	42.1
352.99475	2.4
375.01196	2.0
385.15201	2.8
395.00223	1.8
403.16119	100.0
404.16196	3.8
405.99893	1.7
407.00580	9.4
417.06360	2.4
424.00757	17.3
431.03937	5.0
432.04932	1.9
445.17191	52.1
446.17621	1.5
447.07318	6.4
475.06830	11.6
475.18033	9.2
477.08182	5.1
493.07446	4.5
505.19315	40.0
506.19537	2.4
507.53699	1.4
521.07318	70.8
522.07465	5.8
565.13379	10.3
565.21985	20.1
566.21783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08300	0.8
55.01877	0.9
59.01385	13.4
61.98833	1.7
69.03482	1.4
69.12113	3.2
69.12526	2.5
71.01386	4.8
73.02935	1.2
75.00881	6.2
83.82819	0.9
85.02941	2.0
89.02460	2.1
95.01387	2.4
97.03001	1.0
99.00871	1.7
99.92603	1.6
101.02448	3.0
107.01366	5.9
110.60881	0.9
111.00889	2.3
113.02504	1.4
116.92867	11.1
116.97269	1.0
117.01952	2.3
123.00900	14.6
124.01685	11.2
125.02467	25.4
139.00414	3.4
140.01131	3.1
141.01942	2.1
149.02455	1.4
150.03265	2.0
151.00380	6.5
161.02435	0.9
165.05602	2.7
167.00037	1.2
168.00653	8.0
169.01440	36.3
177.04045	3.4
179.03569	1.0
195.06693	1.7
209.08026	1.0
211.02492	26.6
241.03520	1.1
271.04608	24.8
295.06247	1.3
308.71890	1.0
310.08563	1.4
325.10822	3.2
339.08685	1.2
369.13269	2.0
565.22931	100.0
566.23419	6.6
568.70941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06538	13.7
59.01379	25.4
61.98843	24.2
66.38447	11.9
70.48199	14.8
81.17358	13.7
123.00887	18.8
125.02431	35.1
151.00339	17.9
168.26628	13.2
169.01414	70.9
175.04063	23.6
209.11923	18.2
237.04076	14.6
270.45999	15.8
283.33209	14.6
393.20425	13.1
438.71869	12.8
546.30823	15.7
565.22406	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	565.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.9
61.98817	71.5
63.12294	19.0
68.59666	18.3
69.30114	100.0
78.78144	18.0
78.94006	17.7
79.95798	21.3
84.50128	16.7
96.96027	36.8
111.01415	20.4
113.01691	16.5
135.04552	65.1
169.01384	27.9
170.75029	17.3
177.56848	16.6
179.94539	17.5
209.11908	36.6
309.28278	20.5
317.60577	20.5
521.20734	28.0
554.27429	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	565.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
59.01385	100.0
61.36256	0.7
70.17699	0.7
71.01395	1.9
73.02951	0.8
85.02958	5.0
89.02442	1.2
93.28372	0.6
94.42013	0.6
101.02467	1.2
107.01422	2.0
111.00924	0.8
113.02441	0.8
123.00935	1.3
124.01657	3.8
125.02466	4.9
125.06105	1.2
135.04597	0.7
136.04761	0.6
139.00420	0.9
159.86388	0.6
165.05663	2.1
168.00661	1.8
169.01442	11.1
175.11296	0.6
233.15344	0.7
235.49666	0.6
269.67133	0.6
300.99869	1.4
301.18173	2.6
316.35986	0.6
319.19107	3.5
340.52142	0.8
369.37729	0.6
411.25540	0.7
424.00824	1.2
429.26712	1.0
447.27551	27.4
448.28006	1.7
460.34991	0.7
461.29736	0.8
487.19208	0.7
505.31741	1.4
521.07465	2.2
565.06750	1.3
565.15186	1.4
565.23065	3.1
565.33881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
61.98841	1.2
69.23981	2.6
70.42805	0.4
71.01399	0.7
74.79937	0.4
78.01115	0.4
85.02966	0.5
88.98840	0.4
95.01397	0.7
98.22607	0.9
107.01398	28.9
109.02937	0.5
111.00890	2.0
111.08191	0.7
123.00943	1.7
124.01676	8.5
125.02459	50.4
126.02811	1.0
127.00385	0.8
136.98808	1.2
137.02451	1.6
139.00400	1.9
140.01199	2.4
156.04561	0.8
157.08725	0.5
168.00609	2.2
169.01437	100.0
170.01773	1.6
175.03951	0.8
184.04021	0.9
187.02840	0.9
187.13397	0.9
202.05084	4.1
246.03998	3.6
252.07826	0.4
271.04782	0.6
365.33759	0.6
382.11200	0.6
426.10291	1.1
507.33081	1.9
566.18671	22.5
567.25464	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1724
Annotation	Foliachinenoside A1
Peak:m/z	Relative Intensity
53.23458	0.4
59.01384	7.8
61.47921	0.4
67.01881	0.5
69.03455	0.5
71.01382	3.8
73.02966	1.5
75.45576	0.3
79.01918	1.1
83.01397	0.4
83.59892	0.3
85.02963	0.6
89.02450	3.3
95.01406	0.6
97.02983	0.9
98.21848	1.2
99.00888	3.2
101.02462	1.6
107.01406	32.5
111.00882	0.5
113.02459	1.1
123.00903	6.7
124.01693	2.2
125.02463	64.9
126.02829	1.0
139.00372	1.1
140.01210	0.7
141.01955	1.4
149.04546	0.6
151.00400	3.3
153.02000	0.5
164.09721	0.4
168.00705	0.5
169.01445	80.9
170.01804	1.7
185.11853	0.5
191.05586	0.5
193.03267	0.4
193.73152	0.4
237.06108	0.4
263.16556	5.0
317.17587	1.4
385.46136	0.4
449.29089	0.6
507.33795	0.7
534.01074	0.4
567.17230	100.0
568.17505	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
59.01385	31.6
61.98828	3.6
67.59952	1.2
69.03450	2.0
69.42297	2.9
69.42681	2.9
71.01398	11.7
71.05016	1.7
72.99330	2.3
73.02963	3.9
75.00880	48.5
82.95419	1.3
83.01399	2.1
83.16989	1.4
85.02954	7.1
87.00893	5.2
89.02455	2.9
93.03465	3.6
95.01402	3.0
96.96022	1.1
97.02959	2.0
97.06566	1.3
97.79292	1.3
98.22622	2.6
99.00881	2.5
99.82044	1.1
101.02466	7.6
106.04204	1.8
107.01404	5.1
107.05039	56.1
111.00873	4.2
113.02470	3.4
123.00914	16.6
123.04479	2.0
124.01672	16.9
125.02465	30.1
127.00291	1.3
133.06604	23.3
134.03748	8.4
135.04567	8.8
136.98848	1.6
139.00400	3.3
139.11317	7.3
139.12265	1.3
140.01170	4.0
141.01959	2.6
149.06088	16.0
150.03261	1.7
151.00412	9.4
151.04001	1.5
153.02008	1.8
159.03094	1.2
168.00682	9.9
168.99980	2.0
169.01437	40.9
170.01823	1.4
175.04065	1.4
177.04070	5.6
177.05600	24.8
179.05603	1.1
183.10301	13.3
195.06621	6.5
202.74028	1.0
211.02547	8.9
250.57123	1.1
271.04617	12.6
271.19357	3.4
313.05640	3.5
325.10886	1.5
329.05133	2.0
331.06702	2.8
477.28400	2.4
507.18646	4.8
507.33255	12.1
567.23669	100.0
568.25507	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	567.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	45.8
59.89022	4.0
69.03455	6.3
71.01390	35.3
71.40841	3.8
73.02958	7.1
74.99099	3.5
83.01373	5.0
85.02969	9.6
87.00893	7.1
89.02446	24.9
95.01403	9.2
101.02464	21.8
107.01408	12.5
113.02486	14.9
119.03535	12.4
123.00888	28.5
124.01679	18.2
125.02460	67.5
131.05115	4.3
133.03009	3.9
137.06058	5.1
139.00394	8.1
139.11333	7.6
143.03549	5.7
149.06085	4.7
151.00391	15.9
161.02467	8.4
161.04648	11.2
168.00668	12.6
168.11096	3.6
169.01439	74.7
179.05663	14.9
181.12370	14.3
183.03049	5.3
183.10298	28.8
197.11893	10.5
203.03505	13.2
207.10329	4.6
215.10162	3.7
225.11319	59.5
243.12379	3.9
267.12424	8.5
299.98636	4.1
300.99884	3.7
313.05725	11.2
323.09702	7.6
324.76797	3.7
341.10837	41.5
394.70413	4.0
397.11612	4.1
405.10684	11.5
405.17654	46.4
415.12482	35.2
447.18655	7.0
463.12390	9.8
473.11053	5.2
491.19278	8.5
507.20700	7.6
517.09998	32.0
567.13593	100.0
567.22797	9.6
568.14050	9.1
575.75824	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	567.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37172	0.5
59.01387	12.9
61.98815	0.9
67.01888	0.9
69.03460	0.6
69.10374	3.0
69.10793	0.7
71.01389	4.0
71.96449	0.4
72.99316	1.5
75.00883	29.8
82.27665	0.5
82.95435	0.9
83.01406	0.5
84.04717	0.5
85.02961	0.9
87.67207	0.5
89.02453	1.7
95.01376	1.6
101.02477	1.0
107.01405	3.4
110.00086	0.6
111.00896	2.3
113.02476	0.7
115.49883	0.4
123.00903	10.8
123.04498	0.5
124.01680	14.2
125.02472	13.7
127.00429	0.6
136.98813	1.7
139.00410	3.4
140.01195	3.6
141.01938	1.2
149.02411	0.5
151.00394	6.7
153.01967	0.6
159.03009	0.8
161.88759	0.4
163.04062	0.5
168.00677	9.5
169.01453	23.3
177.04027	1.9
182.02237	0.6
193.01422	0.5
211.02467	6.6
271.04688	1.4
313.05630	0.7
315.52310	0.6
329.05176	1.0
455.15619	1.2
497.20392	2.1
507.26715	0.6
507.33331	3.8
541.80322	0.6
567.24530	100.0
568.25006	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	567.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07790	0.4
59.01384	4.2
67.01881	0.9
69.03470	0.9
69.17776	2.5
71.01398	2.6
73.02950	0.5
78.01126	0.6
79.01896	1.1
82.00603	1.0
83.01390	0.8
85.02952	1.0
86.00117	0.6
89.02476	0.8
90.23729	0.3
91.68177	0.5
95.01382	1.7
97.03014	0.5
101.02454	1.6
107.01389	2.7
109.55512	0.4
111.00878	2.0
113.02439	1.1
123.00903	11.8
124.01675	24.8
125.02465	13.2
127.00394	0.9
135.04562	0.5
136.98853	2.0
139.00398	3.7
140.01184	4.1
141.01942	2.7
151.00386	7.8
151.04044	0.5
153.01988	0.7
154.99942	0.5
166.99863	0.5
168.00659	14.7
169.01448	19.4
177.04051	1.0
179.03491	0.6
211.02509	4.0
241.03545	0.4
271.04614	1.3
297.06229	3.6
313.05771	0.9
329.05276	0.8
331.72653	0.4
399.12927	0.6
401.10797	0.7
481.17365	0.8
496.19238	0.7
497.20212	2.8
567.24536	100.0
568.24817	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	567.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89883	0.4
59.01387	8.0
61.98836	0.4
65.00328	0.5
67.01891	0.8
68.99818	0.3
69.03462	0.5
69.05732	2.9
71.01388	3.1
75.00867	1.1
78.01101	0.8
79.01907	1.1
82.00601	0.6
83.01395	0.4
85.02955	1.5
87.00894	0.5
89.02447	1.3
95.01392	2.9
97.02954	1.3
99.00903	1.0
101.02480	1.9
107.01402	5.4
111.00883	1.4
113.02467	0.6
118.96391	0.4
123.00906	13.5
124.01677	14.4
125.02464	22.3
125.84509	0.4
126.02735	0.4
127.00404	0.6
129.02000	0.6
136.98869	0.7
137.02426	0.9
139.00362	2.4
140.01202	2.1
141.01979	2.0
151.00401	5.8
153.01886	0.6
166.99847	0.5
167.03520	0.6
168.00645	5.7
169.01442	31.6
170.01819	0.7
170.83098	0.4
177.04060	4.4
179.07115	0.4
181.01515	0.5
211.02509	13.1
241.03432	0.4
253.03520	0.4
270.03748	0.4
271.04636	11.4
313.05643	1.2
329.05197	1.8
331.06680	0.4
355.97852	0.4
507.33795	0.5
567.24506	100.0
568.24908	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	567.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32612	0.5
59.01388	5.2
69.03425	0.8
69.33739	2.5
71.01395	3.3
73.65625	0.5
75.00868	1.4
79.01886	0.9
83.01410	0.7
85.02946	1.9
85.33989	0.5
87.00887	0.8
89.02457	1.3
95.01392	1.3
97.02945	0.7
99.00880	0.8
101.02441	1.8
107.01389	5.2
111.00854	1.7
113.02421	0.7
123.00893	11.6
124.01674	16.4
125.02460	23.4
127.00371	0.6
130.09732	0.6
136.98795	0.7
139.00349	2.1
140.01163	2.2
141.01920	2.2
151.00383	6.3
167.03566	0.9
168.00648	6.3
169.01440	32.2
170.01762	0.7
177.04018	5.8
211.02486	13.8
266.61734	0.6
271.04608	10.3
313.05576	1.4
329.05075	1.7
355.56299	0.6
567.24469	100.0
568.24994	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
56.92873	0.3
59.01384	5.7
61.98816	0.5
65.00333	0.5
67.01888	0.6
69.03464	0.6
69.71465	0.8
71.01383	4.1
73.02936	0.7
74.92416	0.4
75.00854	0.8
78.01127	0.7
79.01897	0.9
81.03450	0.5
82.00607	0.6
83.01382	0.6
85.02957	1.1
86.00074	0.4
88.98825	0.4
89.02453	1.3
95.01392	1.5
97.02966	0.9
98.21931	0.7
99.00893	0.5
101.02454	1.6
107.01378	3.9
111.00876	2.5
113.02437	0.8
123.00903	12.8
124.01672	20.1
125.02459	18.6
127.00339	0.8
135.04520	1.2
136.98802	1.5
137.02420	0.7
139.00401	3.2
140.01157	3.8
141.01912	2.1
149.02411	0.5
151.00371	8.3
151.03941	0.7
153.01938	0.6
163.04065	0.6
166.99863	0.6
168.00656	11.6
169.01434	23.7
170.01636	0.6
177.04071	1.4
179.03558	0.6
181.01353	0.7
193.01453	0.4
211.02507	7.4
227.75647	0.4
241.03494	0.5
249.04172	0.5
270.03870	0.6
271.04633	3.3
313.05661	1.3
329.04996	0.4
378.24487	0.4
411.12842	0.7
454.67099	0.5
455.15573	1.3
479.19388	0.4
497.20285	1.0
507.33435	0.8
567.24487	100.0
568.24695	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	567.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55436	1.6
59.01387	100.0
62.29278	1.6
63.35824	1.5
67.32012	1.5
69.81130	5.6
90.24659	2.3
108.32403	1.6
156.79395	1.6
195.13908	3.0
201.11366	2.4
205.12314	2.6
209.11829	21.0
223.13422	31.8
227.12932	4.5
247.30048	2.2
272.59616	1.7
286.16339	1.8
486.92352	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	567.3306
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
51.59898	0.6
59.01379	0.6
61.37419	0.6
80.37603	0.6
80.91679	0.7
96.58511	0.6
198.11565	0.6
199.24205	0.8
440.92578	0.6
485.32742	100.0
486.32999	5.4
567.33063	46.7
568.33588	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3309
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
70.20016	2.7
71.04997	2.0
80.91693	4.2
255.15968	1.4
391.30304	2.4
423.18091	1.3
470.25931	1.3
485.32773	100.0
486.32996	4.9
567.33105	53.1
568.33795	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.0
59.01384	30.1
61.98821	3.0
69.03446	2.2
71.01376	4.4
73.02951	1.5
76.08931	0.8
82.95409	2.7
85.02524	1.2
85.02956	10.6
85.06599	3.7
88.98801	1.7
89.02408	1.2
95.01399	1.3
99.08144	4.1
101.02437	1.6
107.01393	13.6
107.05067	1.1
108.01745	3.0
108.77119	1.0
111.00913	1.2
111.08163	36.8
119.38156	0.8
123.00905	8.2
123.04474	1.0
124.01672	9.5
125.02472	28.4
125.06098	1.1
126.02791	6.2
129.09218	1.6
136.98860	1.1
139.00369	2.8
140.01135	2.5
141.01982	1.1
143.10818	2.4
150.03214	2.2
151.00339	5.3
151.03969	1.7
151.11330	1.0
168.00693	2.5
168.54950	1.0
169.01437	55.2
169.12390	1.1
170.01787	16.8
171.01888	1.0
175.01833	0.8
177.04056	1.2
187.11717	2.2
187.13411	45.8
188.13654	1.5
202.04961	1.1
203.05388	1.0
211.02478	4.1
231.13844	1.2
246.04088	0.9
251.40453	0.8
267.13956	1.3
271.04553	4.1
273.14917	1.0
283.16995	1.6
285.14963	1.6
301.18057	7.1
313.05716	1.1
319.19168	13.7
395.25461	0.9
413.27087	2.1
455.42712	1.0
489.32098	2.1
507.33301	100.0
508.33331	7.1
567.25354	41.5
568.25629	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	567.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01384	100.0
60.01730	0.5
64.97320	0.4
70.98257	0.6
85.02974	1.7
95.81646	0.4
107.68542	0.4
128.89555	0.4
129.09261	0.9
169.01575	0.4
223.39738	0.4
239.45309	0.4
283.17252	0.5
301.18204	1.3
319.19318	1.4
471.31604	0.5
507.33310	21.7
508.33868	1.7
567.26288	0.7
567.35791	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01384	100.0
60.01727	0.8
61.98829	2.5
63.85857	0.4
69.36814	2.1
70.16078	0.4
71.01379	0.8
72.99324	0.4
75.00888	1.1
82.95463	0.4
85.02954	3.0
89.02477	1.0
91.09267	0.4
95.01429	0.4
97.30776	0.4
98.51862	0.4
105.01986	0.8
123.00923	1.2
124.01708	1.4
125.02454	2.5
125.06169	0.6
129.09222	0.9
149.02458	0.4
151.00371	0.5
168.00761	1.3
169.01437	3.4
190.83681	0.4
211.02611	0.4
233.15468	0.6
250.12010	0.4
267.13770	0.6
271.04810	0.8
273.15167	0.4
301.18292	1.4
311.09619	0.5
313.04742	0.5
313.11154	0.5
319.19305	1.3
326.08093	0.5
329.05441	0.4
340.13202	0.4
341.10300	2.4
356.12924	0.8
371.14999	4.1
449.29208	0.5
489.32513	0.8
507.33386	30.2
508.34052	1.7
567.24786	8.0
567.35779	3.3
568.24811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
57.46384	0.4
59.01384	100.0
61.98839	1.7
64.91211	0.3
71.01402	0.7
71.11510	0.3
75.00900	1.1
83.11116	0.3
85.02959	2.8
87.00891	0.5
89.02480	1.2
101.02480	0.5
105.01913	0.4
107.01414	0.9
107.05071	0.5
108.02174	0.5
123.00884	1.7
123.04555	0.7
124.01690	1.0
125.02452	2.8
125.06054	0.8
129.09261	0.9
151.00415	0.9
165.05606	0.7
168.00659	0.7
169.01459	3.8
193.05112	0.6
211.02562	0.7
213.13232	0.3
271.04678	0.6
279.49686	0.4
301.18307	1.5
313.10751	0.4
319.19220	1.8
341.10483	1.2
356.12784	0.7
371.15112	2.9
489.32486	0.5
502.33243	0.4
507.33398	23.7
508.33878	2.3
567.24805	8.5
567.35706	2.6
568.25244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.2
69.09814	9.9
71.01363	4.5
85.02945	1.7
87.00886	3.3
88.98790	1.8
89.02438	3.7
95.01386	3.0
96.81995	1.3
96.96011	2.8
98.22627	2.9
101.02393	1.8
107.01386	12.8
108.01485	2.2
108.02189	35.2
109.02975	16.6
123.00871	7.4
123.04519	4.6
124.01657	3.8
125.02466	39.9
126.02868	1.3
135.03165	1.2
146.01567	1.6
147.04512	1.8
151.00323	4.1
151.03993	4.1
152.01176	68.6
153.01944	3.6
163.04041	3.9
165.05554	1.7
168.00610	1.5
169.01440	53.5
170.01857	2.5
179.03563	1.6
193.05038	1.5
201.02068	1.5
204.29367	1.2
211.02614	1.6
219.02960	5.1
241.07133	5.2
271.04639	1.4
275.01974	5.1
300.99985	7.9
302.00055	1.9
313.05582	2.7
399.09531	2.9
410.81534	1.5
417.10431	38.5
418.10730	1.5
426.01007	1.4
525.12396	9.0
533.08783	2.5
542.46234	1.4
569.11426	100.0
570.11682	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	569.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.00841	2.9
71.01382	11.0
71.40498	4.7
72.99306	4.5
73.02962	6.7
75.03667	3.2
81.03463	9.9
83.05032	4.3
85.02955	38.3
87.00877	4.6
89.02451	8.8
93.03480	7.1
94.89655	3.6
95.01391	19.1
96.56234	4.0
99.04545	6.7
101.02428	8.5
103.04035	4.1
108.02155	6.1
109.02986	16.0
111.00906	9.4
111.04546	3.9
113.02463	10.5
123.00922	4.3
125.02456	8.1
127.04023	25.2
137.02477	5.6
139.00371	21.4
145.05101	11.6
155.03465	12.3
169.05103	4.2
171.03053	5.2
181.01529	3.5
199.02464	37.6
248.74194	3.4
300.99933	8.2
307.51154	4.0
311.91592	3.8
345.08081	10.5
387.09149	10.6
402.07910	4.1
405.10513	8.4
418.62720	3.4
465.12231	6.0
551.16083	4.2
569.11725	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	569.1879
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
59.01379	2.1
64.54045	0.8
69.35954	1.8
69.36337	1.4
71.01377	2.3
79.01900	1.1
85.02954	1.1
95.01385	1.2
97.02988	0.8
101.02487	1.1
104.84866	0.7
107.01400	6.0
111.00890	2.1
113.02419	1.2
116.12164	0.8
121.02970	3.7
123.00899	18.1
124.01685	18.0
125.02457	20.0
127.00323	0.8
133.86969	0.7
136.98860	1.3
139.00395	2.7
139.03978	0.9
140.01129	3.4
141.01942	2.6
151.00386	8.4
165.01823	0.8
166.06380	16.9
167.07072	1.2
168.00667	9.3
169.01440	25.4
181.08685	5.5
183.02998	3.1
211.02521	4.7
225.04059	2.5
271.04620	1.1
285.06171	1.3
313.05734	1.7
384.23093	0.7
387.09268	2.6
395.78122	0.8
569.18799	100.0
570.19073	6.9
594.87604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1878
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
53.65587	0.3
59.01385	3.1
61.98827	0.5
67.01895	0.7
69.65485	0.7
69.65868	0.9
71.01390	2.1
75.00885	0.9
79.01884	0.9
81.03465	0.5
82.00581	0.3
85.02934	0.6
89.02440	1.0
95.01400	3.5
97.02943	1.2
101.02457	0.7
104.79049	0.3
105.01945	0.4
107.01382	1.1
109.02956	0.6
111.00879	1.0
113.02460	0.6
123.00896	21.3
124.01677	9.0
125.02461	10.2
127.00344	0.5
136.01642	0.5
136.98801	1.1
137.02440	0.6
138.03229	0.6
139.00389	4.1
139.03979	0.5
140.01172	1.3
141.01970	2.5
145.71309	0.3
149.06035	0.4
150.03256	0.6
151.00342	0.9
152.01202	0.4
153.01923	1.0
165.05527	0.8
166.06297	0.4
166.99872	8.2
168.00650	4.0
168.99982	0.8
169.01440	15.4
174.90013	0.4
180.00621	0.7
181.01416	0.4
181.05154	0.6
181.08652	0.5
182.02261	0.4
183.02927	2.5
194.99341	0.9
195.03099	0.7
195.06618	0.7
196.07426	0.4
211.09741	0.6
223.64999	0.3
232.78703	0.4
241.05058	0.7
242.05850	0.8
286.04895	0.4
289.07187	0.9
302.08002	0.6
303.08783	0.8
314.07791	1.5
317.06696	5.8
317.17789	0.8
318.07440	6.3
319.08212	0.3
328.04840	0.4
331.08194	2.6
332.09048	22.4
333.09766	8.5
345.09729	0.8
359.11517	0.4
374.10089	1.3
375.10818	0.5
389.12378	3.3
393.11575	0.4
407.13501	2.1
407.20642	0.6
569.18787	100.0
570.19092	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	569.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.30376	0.6
59.01387	3.4
61.98832	0.9
67.01895	0.9
71.01398	3.5
71.42552	0.7
72.99297	0.8
73.02943	0.9
73.25172	0.6
79.01900	1.1
82.00601	0.8
85.02957	1.6
89.02466	0.8
95.01398	2.1
96.96029	0.9
97.02954	1.0
101.02457	2.4
107.01399	7.9
111.00863	2.0
113.02449	1.5
116.92886	1.2
121.02958	3.2
122.09251	0.6
123.00893	16.7
124.01677	16.2
125.02464	26.7
126.02801	0.7
127.00368	0.9
135.04543	1.1
136.98807	1.9
137.02426	0.7
139.00400	3.6
139.03925	0.9
140.01170	3.9
141.01944	2.4
142.83516	0.7
151.00371	10.1
153.01958	0.8
163.04004	0.9
165.01942	1.0
166.06366	15.5
166.99794	0.6
167.07228	1.1
168.00623	7.8
169.01434	31.5
171.10280	0.9
172.10376	0.6
181.08688	5.8
183.03030	2.8
211.02437	2.8
225.04062	2.3
271.04590	1.0
283.47983	0.7
285.06195	1.9
300.61835	0.6
313.05673	2.4
371.09747	1.0
387.09451	2.2
397.13193	0.8
407.19058	0.8
417.13763	1.4
519.10614	0.8
569.18884	100.0
570.19238	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	569.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78183	1.2
55.01864	1.1
57.03444	1.6
59.01121	1.5
59.01390	11.8
61.98836	39.0
68.42182	0.9
69.03452	1.7
71.01402	5.5
72.99326	2.0
73.02945	4.5
74.86639	1.0
79.01891	1.2
83.01396	2.0
83.05001	1.2
85.02978	2.0
89.02445	2.1
92.00785	1.0
95.01393	6.1
97.02982	1.9
97.06564	1.4
99.04565	1.2
99.92574	2.4
100.93353	1.9
101.02465	4.7
107.01398	4.2
111.00910	2.1
113.02430	2.1
115.92080	3.0
116.92895	7.6
121.02979	1.4
123.00897	43.7
123.04523	2.2
124.01711	6.8
125.02480	17.1
126.90460	6.6
135.04532	2.4
137.02519	2.6
138.03246	12.0
139.00377	2.3
140.01193	2.1
141.01930	2.5
151.00380	7.7
152.01147	1.1
152.99553	1.4
153.05615	5.1
165.12872	7.0
166.99881	31.6
168.00652	4.2
169.01440	25.4
170.01717	1.8
171.10399	1.8
179.03424	1.2
182.02229	74.1
183.02927	2.0
183.13921	15.3
197.04565	100.0
198.04819	1.4
203.14493	1.4
207.13885	2.6
209.11827	2.4
211.02490	2.1
221.15479	2.2
227.12881	14.9
231.13931	2.6
233.11818	2.7
237.15109	1.4
242.96065	1.5
249.14996	3.8
251.12939	8.0
265.14493	4.6
267.06589	1.5
271.04630	3.6
275.12872	4.1
293.13962	30.9
299.99240	2.6
311.14859	1.3
327.49646	1.3
371.17154	10.7
399.19373	1.2
434.34622	1.2
569.25897	74.8
570.26685	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	569.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60069	1.2
59.01385	8.9
61.98840	5.4
71.01394	5.6
72.96861	1.1
79.01905	1.4
81.03443	1.4
83.01402	1.3
85.02953	2.3
89.02431	3.6
95.01408	2.3
97.02919	2.1
101.02404	3.2
107.01405	7.4
115.03992	4.0
123.00108	1.2
123.00894	15.6
124.01685	7.2
125.02463	28.3
126.02856	1.1
136.98842	1.5
139.00342	2.2
140.01123	2.3
141.01929	4.6
149.02412	1.3
150.03151	1.7
151.00359	11.2
161.04333	1.2
165.05501	1.3
168.00597	4.7
169.01437	39.2
181.04947	2.5
196.07358	2.5
211.02478	8.7
237.14777	1.5
243.10123	2.1
271.04565	7.4
313.05527	4.2
569.22156	100.0
570.22528	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	569.2243
Annotation	TMC 2A
Peak:m/z	Relative Intensity
59.01385	10.0
61.98827	4.2
69.16269	5.3
71.01390	2.7
73.02990	1.1
79.01884	1.4
81.03451	1.2
82.00688	1.0
82.95421	3.1
85.02969	2.0
95.01412	1.8
97.02958	1.4
98.21810	1.7
101.02448	1.6
107.01396	13.3
111.00881	1.7
113.02419	1.6
115.04006	4.1
122.04399	0.9
123.00897	15.7
124.01693	7.0
125.02458	35.2
136.66914	1.1
139.00371	2.2
140.01123	1.8
141.01978	1.9
142.85701	1.0
151.00368	9.4
154.91649	1.1
168.00641	3.6
169.01440	50.1
188.95027	1.0
193.16013	4.8
209.11958	1.4
257.09833	1.0
271.66364	1.0
311.36609	1.0
313.05630	4.3
389.77985	1.0
394.34650	1.0
569.22388	100.0
570.22375	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.4
59.01384	18.8
61.98853	1.7
68.55817	1.3
69.26534	3.0
69.26941	4.0
71.01392	12.5
73.02948	4.9
75.00885	2.7
83.01384	2.3
85.02955	5.4
87.00860	2.5
88.98819	5.7
89.02458	7.1
93.03485	3.0
94.51037	1.2
95.01364	2.0
96.96014	3.6
99.00865	2.1
101.02441	8.0
105.01969	1.6
109.36696	1.4
113.02467	4.5
118.09684	1.4
121.02974	5.8
122.03753	16.2
123.00903	4.6
124.01672	3.1
125.02441	6.2
133.02985	3.1
135.04530	2.0
140.01129	1.6
149.02452	22.3
149.06021	1.4
150.03236	100.0
151.00337	2.2
158.87009	1.2
161.04535	2.1
164.04794	5.3
165.05579	99.0
166.05960	2.7
169.01373	7.0
171.10274	2.4
177.05602	1.3
180.04362	6.5
181.05002	1.4
195.06635	57.8
196.07312	4.3
211.09789	4.2
259.56104	1.7
300.99878	2.0
313.05502	1.6
317.17297	1.9
323.07758	1.4
347.22183	1.4
355.82434	1.6
359.14972	4.2
373.15057	22.4
407.20828	3.2
410.56326	1.5
461.28946	1.5
521.20288	50.5
522.20538	2.6
569.14581	2.1
569.26227	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49611	1.9
59.01373	7.4
60.22253	2.3
61.98835	58.1
69.21048	9.4
71.01377	3.8
77.09188	1.7
79.94998	1.8
86.34597	1.7
90.48093	1.8
93.03463	2.0
96.86856	1.7
107.01415	5.5
111.00909	3.1
121.02939	7.1
123.00888	15.5
124.01643	6.9
125.02466	28.7
126.90501	2.9
135.04582	2.2
136.98767	2.5
139.00330	3.5
139.59457	1.9
140.01183	3.1
145.02939	2.8
147.04515	3.7
149.02448	26.6
150.03223	5.4
151.00372	8.7
151.04004	4.2
161.06071	2.2
164.04805	6.8
165.05547	2.5
168.00659	4.5
169.01454	40.4
179.07156	3.2
181.05061	4.9
199.09729	1.9
211.02518	2.8
216.12218	1.8
218.54308	2.0
251.07133	2.2
258.01920	2.0
269.08240	8.9
269.11841	3.5
271.04669	2.2
283.09665	2.7
297.11285	8.9
299.09109	3.5
311.09229	8.4
314.11569	8.4
325.10452	3.1
326.11636	6.0
329.13928	21.0
341.14157	10.2
431.14856	4.3
477.19119	26.3
478.19293	2.5
500.63956	2.2
507.20288	66.0
508.20453	3.8
569.04803	3.9
569.25958	100.0
570.26483	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	569.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23531	0.4
59.01386	7.9
61.98839	5.3
67.01889	0.8
69.03472	1.1
69.21967	2.5
71.01394	4.1
72.99294	1.1
73.02956	1.8
78.43455	0.4
78.95918	0.9
79.01897	1.1
82.95435	1.4
83.01378	1.1
83.05068	0.6
85.02955	1.7
87.00928	0.6
88.40498	0.5
89.02465	2.3
95.01392	3.0
96.96024	0.5
97.02942	0.6
97.65622	0.4
100.93328	0.4
101.02446	3.2
107.01416	4.9
109.02946	0.9
111.00895	0.9
113.02468	1.9
115.92077	0.8
116.92879	1.9
119.03412	0.5
121.03004	0.6
123.00896	15.4
123.04559	1.0
124.01690	7.9
125.02460	19.4
127.00364	0.7
135.04510	1.1
136.98860	1.0
137.02435	0.8
139.00377	2.5
140.01230	2.4
141.01978	3.1
151.00394	10.9
152.01195	0.8
152.99582	1.1
153.01971	1.0
155.10818	0.7
163.03975	0.7
168.00658	3.4
169.01442	26.5
179.03534	0.9
183.13986	0.5
197.04576	1.4
211.02460	4.3
217.10814	0.6
271.04593	4.8
313.05798	2.8
341.23160	0.8
510.04651	0.5
569.26099	100.0
570.26501	6.7
596.39209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89698	0.5
56.61810	0.6
57.03433	0.8
59.01384	7.8
61.98830	0.8
63.95690	0.5
64.95885	0.6
67.01917	0.6
69.03450	0.6
69.43433	2.6
71.01397	4.3
73.02948	1.1
74.14447	0.5
75.00892	0.8
79.01877	0.6
79.14223	0.5
83.05059	0.7
84.67535	0.5
85.02953	3.2
87.00865	0.8
87.04531	4.8
88.98799	1.0
89.02458	5.1
92.67564	0.5
95.01405	1.7
96.96017	1.5
101.02435	2.1
101.06107	1.4
107.01375	3.5
111.00888	0.7
113.02477	0.9
119.03461	0.8
123.00904	11.4
124.01681	8.2
125.02461	13.3
131.03471	0.6
136.98799	0.9
139.00375	1.9
140.01152	1.4
140.02899	0.5
141.01968	1.8
145.08737	0.9
149.04538	0.7
151.00386	7.3
153.01926	0.8
168.00656	2.3
169.01440	17.6
170.01668	0.6
177.01891	0.7
177.04080	2.2
179.00160	0.7
192.04329	0.9
193.05031	0.5
195.06578	0.5
207.06642	0.9
209.62628	0.5
211.02510	1.6
219.02985	0.9
246.12207	0.6
271.04639	2.1
301.00067	0.6
313.05576	1.9
324.77441	0.5
329.05298	0.9
407.20715	1.4
477.41803	0.7
479.30408	0.7
509.31207	9.2
510.31552	0.6
569.26062	100.0
570.26373	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	569.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
59.01388	3.5
61.98829	0.3
64.86406	0.2
65.00331	0.2
66.21555	0.2
67.01888	1.0
69.03468	0.4
70.10491	0.7
71.01393	2.7
73.02947	0.5
78.01099	0.4
79.01917	1.3
81.03437	0.3
82.00608	0.6
83.01393	0.7
85.02949	1.6
86.00111	0.3
89.02458	1.0
95.01397	1.8
97.02956	0.7
98.22569	0.3
99.00870	0.3
101.02462	1.4
107.01405	4.5
110.00135	0.3
111.00905	1.1
113.02451	1.0
119.03480	0.3
120.46380	0.2
123.00903	16.1
124.01680	12.2
125.02467	18.7
126.02821	0.3
127.00395	0.6
136.98816	0.8
139.00406	2.4
140.01190	1.8
140.11534	0.2
141.01952	2.9
145.02835	0.2
151.00391	9.6
153.01978	0.8
154.99788	0.3
163.03841	0.3
165.01906	0.3
167.03535	0.5
168.00656	4.2
169.01447	23.3
170.01810	0.5
211.02493	6.6
212.02885	0.3
241.03807	0.3
253.03568	0.4
271.04630	5.3
313.05545	1.5
349.15930	0.2
569.26062	100.0
570.26385	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	569.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
57.42160	0.4
59.01386	3.0
61.98842	2.1
67.01893	0.8
69.03467	1.1
69.28475	0.7
69.28865	1.1
71.01385	3.1
72.99317	1.1
73.02951	0.6
73.37941	0.4
75.00880	5.0
79.01902	1.0
81.03461	0.9
83.01405	0.4
84.85159	0.4
85.02977	2.8
87.00896	0.6
87.38238	0.3
88.98846	0.4
90.21486	0.4
95.01376	1.1
97.02965	1.4
99.00867	0.9
101.02438	2.2
107.01404	8.5
111.00890	0.9
123.00901	7.5
123.04550	0.6
124.01691	5.5
125.02459	35.8
126.02781	0.5
129.01947	1.9
131.13106	0.5
136.98856	0.7
137.02513	0.5
138.11478	0.4
139.00375	1.4
140.01163	0.9
141.01942	1.4
150.03215	1.1
151.00398	4.9
151.03979	1.7
153.01941	0.8
155.50328	0.4
159.02994	1.3
165.05563	1.0
168.00699	2.5
169.01439	50.8
170.01768	0.9
177.04059	20.6
181.05099	0.7
195.06609	0.6
211.02472	2.8
241.03583	0.6
271.04648	1.4
311.04117	0.5
313.05701	0.6
329.05099	4.2
343.11859	0.7
458.17542	0.4
569.26093	100.0
570.26416	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	569.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
56.71773	0.3
57.03472	0.3
59.01387	4.0
61.98818	0.4
67.01891	0.9
68.99828	0.3
69.03461	0.7
69.14905	0.6
69.15313	1.2
71.01387	2.9
73.02946	0.8
78.01098	0.6
79.01897	1.1
81.03453	0.3
83.01396	0.9
83.17276	0.3
85.02954	1.6
86.57711	0.3
89.02458	0.7
95.01400	2.1
97.02956	1.2
99.00916	0.3
101.02475	2.2
107.01395	5.8
111.00919	1.4
113.02446	1.2
123.00900	18.3
124.00752	0.3
124.01677	10.5
125.02460	21.3
126.02818	0.3
127.00382	0.4
136.98807	1.0
137.02463	0.4
139.00362	2.0
140.01202	2.2
141.01958	3.4
151.00392	12.0
151.03998	0.6
153.01929	0.8
163.04027	0.6
166.02791	0.3
168.00667	3.8
169.01443	27.6
170.01715	0.5
177.04031	0.9
179.03462	0.7
179.29301	0.3
179.78934	0.3
181.05081	0.5
211.02507	3.7
253.03595	0.4
271.04623	4.1
313.05615	2.2
569.26068	100.0
570.26447	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
59.36539	1.8
60.99310	15.5
65.45383	1.7
71.01424	2.3
87.00883	6.9
88.00404	5.4
88.98815	100.0
89.02451	75.4
96.96025	3.5
107.01383	2.1
108.36559	1.9
123.00863	3.5
125.02459	5.0
152.32372	1.9
169.01416	6.1
206.32236	1.8
317.17569	10.7
407.20493	4.3
440.15820	2.0
569.14905	13.7
569.24109	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97745	1.4
57.03439	4.3
59.01379	13.2
68.27483	1.5
69.03461	2.7
71.01384	5.9
73.02959	21.0
83.05044	17.0
85.02966	12.0
87.04524	5.2
89.02470	1.4
95.05024	9.8
97.06580	7.5
101.02429	1.8
101.06098	1.7
108.02175	4.4
113.06128	5.0
123.00877	4.4
123.04535	7.0
123.08173	3.5
124.01659	2.7
125.02464	7.8
127.07671	2.4
129.05600	3.5
131.07159	56.7
150.03313	3.0
151.00356	2.1
156.89523	1.6
165.05583	3.8
168.00604	2.6
169.01425	11.7
171.10303	6.2
188.10664	1.6
189.11346	30.5
195.03024	3.6
207.06667	2.8
211.02301	2.0
212.75282	1.7
231.14108	1.5
240.04335	2.7
283.17050	1.7
300.99985	2.9
301.18060	5.7
313.10748	2.3
319.19168	8.0
332.13312	1.6
343.11743	2.4
373.13013	3.8
373.20032	3.1
391.21155	2.8
397.13647	2.0
415.24966	3.7
417.14023	4.7
433.25742	2.9
451.27048	14.0
491.30261	3.4
509.31256	100.0
510.31357	5.1
569.14478	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	569.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18603	0.7
57.03463	1.1
59.01389	10.6
59.17481	0.6
61.98828	2.5
69.03464	1.6
71.01382	1.9
71.05030	0.9
73.02962	3.3
74.20896	0.7
75.00880	16.1
85.02980	1.4
85.06600	1.9
87.04543	1.5
88.98815	0.8
89.02423	1.2
94.35542	0.8
95.01420	0.6
96.96023	0.9
97.02959	1.7
97.06599	14.8
99.04587	0.7
103.62451	0.7
116.92878	0.8
122.03735	1.8
124.01675	0.9
125.02460	1.7
125.06169	1.3
129.09215	1.9
134.03755	3.0
137.29585	0.7
149.02440	3.4
150.03232	10.2
162.03242	83.0
163.03653	3.1
164.04933	1.1
165.05591	10.4
169.01465	2.1
173.11844	10.0
173.84938	0.7
177.05588	92.4
178.05931	3.0
179.07150	1.2
185.13380	0.8
191.10796	1.1
195.06628	4.8
201.12907	1.7
213.12933	0.8
217.12488	0.8
219.13901	1.9
227.14461	1.3
229.12355	3.0
237.07692	1.2
243.13966	1.6
245.15486	3.8
247.13411	1.5
299.16489	2.2
301.10846	1.5
317.17651	2.0
325.21729	0.8
335.18579	4.6
343.11871	1.4
388.76163	0.7
403.24838	1.2
407.20898	6.4
491.30878	3.4
509.31229	100.0
510.31625	6.2
569.18896	2.9
569.26477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18603	0.7
57.03463	1.1
59.01389	10.6
59.17481	0.6
61.98828	2.5
69.03464	1.6
71.01382	1.9
71.05030	0.9
73.02962	3.3
74.20896	0.7
75.00880	16.1
85.02980	1.4
85.06600	1.9
87.04543	1.5
88.98815	0.8
89.02423	1.2
94.35542	0.8
95.01420	0.6
96.96023	0.9
97.02959	1.7
97.06599	14.8
99.04587	0.7
103.62451	0.7
116.92878	0.8
122.03735	1.8
124.01675	0.9
125.02460	1.7
125.06169	1.3
129.09215	1.9
134.03755	3.0
137.29585	0.7
149.02440	3.4
150.03232	10.2
162.03242	83.0
163.03653	3.1
164.04933	1.1
165.05591	10.4
169.01465	2.1
173.11844	10.0
173.84938	0.7
177.05588	92.4
178.05931	3.0
179.07150	1.2
185.13380	0.8
191.10796	1.1
195.06628	4.8
201.12907	1.7
213.12933	0.8
217.12488	0.8
219.13901	1.9
227.14461	1.3
229.12355	3.0
237.07692	1.2
243.13966	1.6
245.15486	3.8
247.13411	1.5
299.16489	2.2
301.10846	1.5
317.17651	2.0
325.21729	0.8
335.18579	4.6
343.11871	1.4
388.76163	0.7
403.24838	1.2
407.20898	6.4
491.30878	3.4
509.31229	100.0
510.31625	6.2
569.18896	2.9
569.26477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62964	0.9
51.37343	0.8
59.01359	1.4
61.98820	0.8
80.05084	1.0
80.91692	5.0
90.37737	1.2
93.22620	0.9
93.35365	0.8
101.28426	0.9
188.16161	0.9
264.63354	1.1
409.31195	1.3
487.34320	100.0
488.34674	7.8
569.34650	54.5
570.35040	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	569.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69107	3.1
61.98838	5.3
87.72979	3.4
103.93243	3.0
111.60628	2.9
118.49611	2.9
119.23146	3.1
128.41124	3.0
255.61571	3.2
480.02698	3.5
487.34360	100.0
569.34692	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	11.6
62.29485	1.1
70.02979	4.6
72.00926	2.5
91.05551	10.5
95.78311	1.1
98.59081	1.2
125.02454	5.2
131.08525	1.7
144.15959	1.1
147.04530	19.7
151.00346	1.4
153.01974	2.2
164.07181	55.6
175.00340	1.8
178.99849	1.6
191.03543	1.9
193.01434	9.9
206.08228	100.0
207.08527	2.7
301.03537	2.2
319.04691	1.8
343.76846	1.2
385.37848	1.5
388.04330	1.3
579.74988	1.2
586.57166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90442	0.5
61.98834	100.0
69.23521	2.8
106.41012	0.5
140.64185	0.4
174.27748	0.5
211.13438	0.4
319.11343	0.5
320.77527	0.5
370.57935	0.5
439.32452	1.0
485.33215	0.9
487.34436	0.7
488.34705	3.8
570.31128	1.4
570.35297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63601	0.7
59.68145	0.7
61.98837	100.0
69.14773	3.6
73.44781	0.7
101.92651	0.7
134.20532	0.6
206.63394	0.8
208.31363	0.8
274.30765	0.7
421.64307	0.8
570.30505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01042	0.4
59.01388	0.9
59.51337	0.5
62.77728	0.4
67.78255	0.6
71.01375	0.7
87.25954	0.5
89.02441	0.5
94.26983	0.4
98.21783	1.1
99.92599	10.0
107.01411	0.7
108.02180	1.1
109.37908	0.4
116.92870	100.0
117.92908	2.1
119.30285	0.4
123.00889	1.6
123.04514	0.5
124.01719	0.5
125.02461	3.0
152.01186	1.5
153.48250	0.5
163.04073	0.4
169.01436	3.2
171.46123	0.5
198.07239	0.5
252.94548	0.8
273.00687	0.7
275.02124	0.9
300.99921	2.7
320.26852	0.5
405.62726	0.6
419.11288	1.3
453.10422	1.5
570.12329	0.6
571.12573	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	571.0865
Annotation	dimeric 9-hydroxyrubrofusarin-fuscofusarin
Peak:m/z	Relative Intensity
58.76653	1.9
69.43007	2.0
74.55181	2.2
81.34325	2.3
88.24933	2.1
112.57742	1.9
120.02188	2.5
121.02973	54.6
126.91438	2.1
160.84567	2.5
161.02203	4.7
181.06714	3.2
187.00125	12.1
197.06104	6.5
205.01227	6.2
223.03914	3.2
223.89462	2.1
225.05637	4.4
251.03526	3.6
251.07161	2.8
265.04800	15.1
289.22348	2.2
295.06155	9.0
309.07498	8.3
313.07248	4.3
325.47180	2.6
341.08139	3.2
353.06522	11.0
355.94461	2.6
369.07333	8.7
378.99948	2.4
379.04245	12.1
429.09207	3.6
457.09113	23.4
483.07001	15.6
545.10693	47.8
546.10907	4.8
571.08630	100.0
572.09100	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	571.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08978	1.5
59.01382	17.1
66.63969	1.5
69.03472	3.0
71.01369	4.8
71.42542	2.7
73.02949	1.8
87.00852	2.2
88.98816	1.8
95.01396	3.2
96.96022	1.7
97.02988	1.9
101.02471	4.2
103.00390	16.7
107.01377	12.0
108.02197	3.1
111.00864	2.3
113.02441	2.6
116.92847	5.2
123.00912	17.6
123.04489	2.0
124.01703	12.7
125.01514	2.8
125.02460	55.9
126.02795	1.9
139.00415	3.5
140.01122	1.9
141.01952	3.2
148.45723	1.7
151.00377	11.2
152.01131	3.7
153.05566	5.7
156.88103	1.6
168.00630	6.7
169.01447	67.3
211.02440	3.9
239.05554	1.8
275.02048	4.2
285.46732	2.0
295.04492	2.3
300.99750	5.5
302.00012	1.8
313.05670	8.0
389.18515	1.7
401.10645	4.4
419.11917	22.6
467.12027	34.1
468.12384	2.4
481.09778	3.4
532.59827	1.6
571.12976	100.0
572.13293	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	571.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49301	1.0
55.99193	1.0
59.01377	3.1
61.98839	8.4
66.73661	1.0
67.86549	1.0
68.34303	1.2
69.16631	7.4
71.01360	1.3
72.99310	2.7
75.00879	3.7
86.63877	1.2
88.98817	3.5
89.02465	2.5
93.03481	4.8
95.01324	1.3
97.79736	1.5
100.46652	1.3
108.02161	2.8
108.45438	1.1
109.02991	1.4
114.84228	1.2
121.02961	9.2
122.03752	13.8
123.04514	3.5
124.01655	2.1
125.02458	3.4
133.03018	1.6
135.04512	2.8
136.01688	5.5
137.02499	1.7
145.02936	3.6
146.03754	52.0
147.04498	4.5
149.02457	38.2
149.06050	2.5
150.03235	92.7
151.00400	2.5
151.04042	12.9
153.05527	1.1
160.05307	3.9
161.06087	13.7
162.03171	2.1
163.04033	2.9
164.04796	43.5
165.05571	100.0
166.05988	1.9
169.01399	5.5
175.04037	3.5
175.07681	4.0
177.05632	1.9
179.07141	74.5
180.04329	5.2
195.06628	70.4
196.06985	1.3
197.04503	1.9
203.45355	1.1
233.31699	1.4
237.07698	1.8
255.06551	1.5
267.06656	2.6
270.09192	1.6
282.08884	3.3
285.07571	2.0
297.11331	1.8
298.08444	2.8
299.09369	5.9
312.10141	5.0
313.10751	3.8
325.03537	1.8
327.12369	17.2
329.10529	1.5
343.11865	36.1
344.12222	1.5
345.13290	1.5
355.11896	6.3
373.12958	1.7
391.14059	4.3
465.06369	1.4
493.18979	5.6
523.19757	19.1
571.22192	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	571.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.4
60.96383	0.8
61.98840	12.0
67.01878	1.0
68.36839	0.7
69.03453	0.8
70.99808	0.7
71.01392	11.1
72.99287	0.9
73.02952	1.8
75.71506	0.8
79.01855	1.0
83.01368	1.6
83.05034	11.0
85.02948	3.1
89.02459	8.4
95.01373	2.8
96.96024	0.9
101.02443	8.8
107.01389	3.7
108.54763	0.7
113.02433	4.8
119.03534	4.0
123.00902	11.3
124.01687	4.6
125.02452	18.5
127.04049	0.9
133.01434	1.5
135.04518	1.2
139.00349	2.2
139.11269	2.5
140.01129	1.1
141.01915	1.6
145.01460	1.1
150.03258	0.9
151.00381	3.4
165.05589	1.0
166.99896	1.5
168.00668	3.1
169.01436	18.1
199.01234	0.8
211.02518	9.3
218.39185	0.8
239.16571	5.4
257.17639	3.2
271.04605	9.2
277.07376	0.8
313.05685	1.7
331.06754	1.3
419.22946	16.0
474.73541	0.9
553.22968	1.4
571.23956	100.0
572.24390	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48145	1.4
61.98807	2.9
74.25290	1.2
76.11712	1.3
78.95898	2.3
91.74856	1.3
99.92597	20.7
100.93374	61.2
115.92090	100.0
116.92159	2.6
116.92877	7.9
160.61430	1.5
365.38333	1.4
422.68250	1.7
471.34662	2.5
473.35440	3.2
553.26556	3.1
571.27350	93.9
572.27692	9.6
585.25092	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	571.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40270	0.8
60.35581	1.0
61.98825	4.4
69.20850	5.3
78.95881	1.0
96.96957	1.7
99.92600	10.5
100.93376	45.6
101.93354	1.3
104.17558	1.0
111.15215	1.0
115.92087	71.1
116.92095	2.0
116.92860	3.2
152.24272	1.1
160.82103	1.0
312.23761	1.0
432.49203	1.0
471.34625	6.1
472.34885	2.7
473.35400	4.0
571.27295	100.0
572.27686	8.8
585.25348	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	571.2893
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
62.96429	0.7
64.50936	0.5
73.72511	0.5
78.95910	66.7
96.96969	15.7
96.97594	0.6
98.22598	0.6
132.96602	0.5
134.98634	0.6
140.14960	0.5
142.34824	0.4
145.40649	0.6
150.98035	0.6
152.99602	61.7
171.00697	0.5
181.16759	0.5
186.90866	0.5
198.52544	0.5
223.00116	3.1
240.98679	0.8
241.01199	31.5
255.23306	71.3
256.23669	1.7
315.04886	10.3
343.91531	0.6
391.22522	7.4
571.28906	100.0
572.29260	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	572.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49998	0.3
59.01400	0.6
59.25302	0.3
61.98834	2.3
69.03439	0.5
69.22688	2.2
71.01393	0.7
72.62966	0.4
78.01127	0.8
81.03469	1.1
82.00611	0.6
83.01380	0.5
85.02950	0.6
88.74185	0.4
94.03001	1.4
97.02952	0.7
101.02454	0.5
104.05093	0.7
106.00562	0.4
107.01405	19.6
111.00914	1.7
117.03467	1.8
119.05045	1.3
123.00903	1.2
124.01680	10.6
125.02464	57.1
126.02776	0.7
127.00361	0.5
130.06599	0.4
136.98833	1.3
137.02467	0.6
139.00423	2.3
140.01193	2.4
145.02974	9.9
151.00394	0.6
156.04565	0.5
161.06133	0.6
163.04074	1.8
168.00671	2.2
169.01442	100.0
170.01811	1.1
174.05565	0.4
175.04021	1.8
182.08221	0.4
184.04042	0.8
187.02747	0.8
202.05124	4.1
230.26930	0.4
246.04103	2.9
259.88809	0.4
296.59470	0.4
307.08331	2.0
382.11646	0.8
402.12103	1.7
408.09299	0.5
421.11447	0.7
426.10480	18.0
483.18921	0.5
509.16647	1.5
572.14154	26.8
573.14294	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07735	1.0
53.10509	0.9
59.01384	6.5
61.98838	20.5
65.05283	0.8
69.03477	1.3
69.28634	4.4
80.31437	1.1
81.03471	1.4
89.02402	1.1
93.03442	0.9
94.03001	2.2
96.09060	0.9
97.02955	1.7
98.22704	1.1
101.02465	1.1
102.96637	0.9
107.01398	20.0
111.00916	0.9
117.03460	2.2
119.05030	2.7
123.00900	2.6
124.01688	6.9
125.02460	57.6
131.03500	0.8
136.98798	2.0
138.03232	1.9
139.00362	2.1
140.01135	2.3
145.02980	10.1
146.03749	1.0
150.03229	1.5
151.00435	2.2
151.04019	1.2
156.04543	1.5
158.06172	1.0
163.03961	2.1
164.04829	1.3
165.02011	1.3
165.05644	1.2
166.02725	1.1
168.00659	3.2
169.01439	100.0
170.01830	2.2
177.05524	1.1
179.03555	1.0
179.07170	2.3
181.05045	1.3
181.08745	1.2
184.04010	1.3
196.87285	1.0
202.05099	3.2
246.04059	4.1
274.35522	0.9
300.99780	2.1
302.00458	1.6
307.08255	3.1
315.16263	0.8
402.11612	1.5
426.10394	17.5
537.19861	2.6
572.13763	18.5
572.22144	1.5
573.13000	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	572.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22697	0.3
54.48038	0.3
59.01378	0.6
61.98834	100.0
69.52486	1.4
71.01393	0.4
75.00875	0.5
78.81674	0.3
89.02424	0.3
94.82054	0.3
116.92882	0.4
123.00936	0.4
124.01600	0.3
125.02459	0.6
169.01469	0.9
301.00073	0.5
312.48007	0.3
509.16638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79593	0.2
61.98836	100.0
81.62079	0.3
88.53703	0.2
95.09221	0.3
98.22684	0.6
115.65871	0.3
123.76084	0.3
283.85159	0.3
389.68118	0.3
491.85132	0.3
553.09186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32236	0.2
53.71778	0.2
54.62198	0.3
59.01390	0.6
61.98835	100.0
63.27182	0.2
69.86576	0.8
70.85805	0.2
77.44216	0.2
80.73398	0.2
81.39234	0.2
85.26565	0.3
96.34091	0.2
96.34708	0.2
96.92742	0.2
139.13797	0.2
153.60408	0.2
209.11900	0.4
231.37122	0.2
327.64459	0.3
351.16888	0.2
407.96600	0.3
469.41782	0.3
572.32422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
61.98837	100.0
67.26398	0.3
69.28225	1.1
73.07884	0.2
78.91887	0.4
88.98854	0.3
92.97478	0.3
96.96030	0.5
99.66509	0.2
110.97046	0.3
121.02960	0.5
122.03770	0.8
125.02461	0.7
136.01668	0.3
146.03761	2.2
147.04118	1.0
149.02492	1.8
150.03258	5.1
151.03535	1.8
152.04453	0.4
161.06041	0.5
162.06372	0.3
164.04813	1.9
165.05577	5.0
166.05981	1.6
169.01495	0.7
179.07130	3.3
180.04295	0.4
180.07486	1.3
195.06641	3.0
196.06956	1.7
275.01877	0.3
280.95230	0.2
298.11649	0.3
300.99902	0.3
306.45715	0.3
343.12094	0.8
344.12305	1.4
491.29370	0.3
512.32178	0.4
518.31964	0.3
524.19800	1.3
540.86346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.8
60.99321	13.9
71.01365	3.5
81.10746	2.3
83.05041	7.2
88.98818	71.9
95.01411	3.7
100.07610	3.0
107.01434	3.9
111.00896	3.6
123.00886	7.5
124.01676	10.1
125.02476	30.9
137.02438	2.5
139.00374	6.0
140.01181	5.7
145.02872	3.6
151.00316	3.9
153.01933	3.5
154.02740	5.2
159.10236	6.1
165.46748	3.3
168.00703	7.4
168.09442	2.5
169.01442	41.5
249.03966	5.4
275.01892	9.0
300.99899	7.7
313.05585	6.3
362.06754	2.5
385.36792	2.6
407.83344	2.7
462.31970	9.0
483.11578	100.0
484.11966	6.1
543.88971	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	573.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
59.01379	2.8
61.98831	7.1
65.00319	0.6
67.01865	0.5
69.03461	1.5
69.53720	0.9
69.54131	1.8
71.01386	2.8
73.02946	1.1
76.58858	0.5
78.01114	0.9
79.01911	1.4
80.91723	1.0
81.03461	1.1
82.00611	0.5
83.01398	0.9
85.02953	1.8
87.00877	0.5
88.98811	0.8
93.11278	0.4
95.01381	2.6
96.96058	0.5
97.02937	1.3
101.02457	3.2
107.01398	14.7
109.02935	0.7
110.00161	0.6
111.00904	2.3
113.02424	0.7
117.03575	0.4
122.99998	0.7
123.00900	14.6
124.01685	14.9
125.02460	43.9
127.00402	1.1
136.98856	1.8
137.02434	0.6
138.03288	0.4
139.00381	4.0
140.01176	3.1
141.00432	0.5
141.01967	3.4
145.02975	0.6
149.02403	0.9
150.03210	0.6
151.00392	13.2
151.03975	0.9
153.01952	1.3
163.03964	0.8
165.05553	1.0
165.19077	0.5
167.99347	0.7
168.00648	7.0
169.01440	52.0
170.01779	1.1
179.03467	0.7
180.34004	0.4
195.06676	0.6
253.03555	0.5
283.09872	1.1
295.04413	0.6
310.22897	0.5
311.09308	2.0
313.05603	3.8
326.11633	1.2
341.14038	4.8
374.27942	0.5
403.10400	1.3
421.11432	44.5
422.11850	2.4
477.28247	0.6
573.12543	100.0
574.13080	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	573.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01383	4.2
61.98817	1.7
67.01910	1.0
68.15899	0.3
69.03464	1.2
71.01396	2.8
71.03925	0.4
73.02955	1.5
75.00836	0.5
78.01136	0.6
79.01906	1.1
81.03452	1.3
82.00615	0.5
83.01376	1.3
85.02964	1.7
87.00888	0.5
88.98825	0.7
95.01387	2.8
96.96040	1.2
97.02971	1.8
101.02464	2.6
101.03074	0.5
107.01405	14.4
110.00118	0.5
111.00878	2.0
113.02465	1.6
122.99997	0.6
123.00899	15.6
124.01680	17.4
125.02461	47.3
126.02783	0.8
127.00371	0.8
135.04550	0.7
136.98846	1.2
139.00386	3.4
140.01172	3.3
141.01947	2.7
151.00388	11.1
151.03978	0.7
153.01962	0.9
161.04559	0.4
168.00658	6.8
169.01443	54.6
170.01686	0.8
179.03528	1.1
181.01448	0.6
181.05121	1.0
208.92961	0.4
211.02594	0.5
237.04167	0.6
253.03560	0.6
283.04565	0.4
295.04425	0.6
311.09445	0.5
313.05600	2.6
375.27579	1.2
403.10422	1.4
421.11432	46.3
422.11722	2.3
537.19830	0.5
573.12561	100.0
574.12848	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	573.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20697	0.7
53.84124	0.7
59.01388	5.8
61.98832	2.3
66.75939	0.7
69.21980	1.1
69.22379	2.7
71.01379	2.7
74.20000	0.6
78.36015	0.6
78.91901	1.5
80.91690	22.9
85.01515	0.9
85.42176	0.8
85.86493	0.6
88.98804	1.5
89.02471	3.2
96.96042	1.8
98.30651	0.8
101.00954	1.5
101.02501	0.8
113.02454	1.8
117.00446	3.6
121.02922	0.8
125.02480	0.8
131.03523	0.7
136.01787	0.8
141.00459	10.3
141.01703	3.7
145.02927	1.2
146.03426	0.6
150.03226	1.4
151.00343	1.3
153.90459	0.6
165.05659	1.5
166.02731	2.6
169.01450	1.9
171.01517	1.7
180.07927	1.3
181.05089	2.8
183.61819	0.8
201.02606	1.3
213.70717	0.7
222.07103	0.9
224.04845	1.7
231.03552	1.6
238.06456	2.0
239.10823	1.2
251.07133	0.9
252.04253	0.8
255.10242	4.4
266.05780	1.2
267.70685	0.7
269.11899	1.4
270.12665	1.3
282.08792	0.8
283.09760	19.0
284.10135	0.8
294.09039	1.1
295.09790	3.1
296.10504	1.2
297.11304	0.8
297.61499	0.7
298.12115	2.9
309.11420	1.2
310.12042	1.0
311.09283	49.1
312.09677	1.8
325.10873	3.4
326.11606	44.3
327.11951	2.3
335.07712	0.9
341.13950	100.0
342.14297	4.0
365.13708	1.5
393.08337	1.9
408.10684	2.5
423.13937	10.6
453.13766	0.9
483.15247	2.4
531.17572	0.8
573.18262	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	573.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77615	0.4
59.01387	9.8
61.98815	1.1
67.01888	1.0
69.03443	1.0
69.17946	2.1
71.01392	6.5
72.99284	0.7
73.02961	2.5
78.01132	0.7
79.01895	1.6
81.03458	0.4
81.36014	0.4
81.39498	0.4
83.01389	1.0
85.02965	2.1
87.00892	0.5
89.02454	6.1
91.39619	0.5
95.01376	2.1
97.02959	1.7
99.00887	1.7
101.02450	4.1
107.01399	7.6
111.00903	1.9
113.02446	1.3
119.02385	0.4
119.03461	0.8
123.00900	21.2
124.01693	8.3
125.02464	25.5
127.00412	0.5
131.03537	0.8
136.98802	1.3
139.00395	3.9
140.01187	2.5
141.01956	3.5
149.02385	0.6
149.04390	0.5
150.03200	0.5
151.00389	13.0
151.03935	0.6
152.30020	0.4
161.04521	0.5
166.99896	0.5
168.00714	2.5
169.01448	29.1
191.05577	0.5
195.06720	0.6
210.35258	0.4
223.02522	0.8
277.92270	0.4
283.04575	1.7
333.14621	0.5
362.18762	0.8
466.94513	0.5
543.26611	0.5
573.21918	100.0
574.22113	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
61.98831	0.7
67.01875	0.5
69.03458	0.9
69.07462	0.8
69.07865	2.5
69.11065	0.4
71.01395	5.3
73.02949	2.3
77.40912	0.4
79.01899	1.1
85.02972	2.5
89.02456	1.0
90.31375	0.5
92.53877	0.4
95.01394	1.0
96.96023	0.7
97.02916	0.9
98.22659	0.8
98.29819	0.4
99.00925	1.0
101.02454	2.9
102.74174	0.4
107.01402	33.6
109.60316	0.5
111.00857	0.8
113.02452	1.7
123.00894	7.2
123.49133	0.4
124.01672	1.9
125.02460	71.4
126.02806	0.9
129.55006	0.4
139.00366	0.8
139.04007	0.7
140.01151	0.6
141.01959	1.9
145.71521	0.5
150.32324	0.5
151.00395	3.9
151.01492	0.6
151.02043	0.5
161.04575	0.7
168.00700	0.6
169.01440	97.7
170.01790	1.8
177.43863	0.5
183.10300	0.8
241.03575	0.7
301.05695	0.5
362.18832	1.0
372.17331	0.9
443.25732	0.5
573.21899	100.0
574.22205	4.3
588.05469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
59.01388	7.8
61.98832	1.1
67.01873	0.6
69.03426	0.7
71.01394	5.2
73.02943	1.9
79.01881	0.8
81.03450	0.6
81.19754	0.5
83.01389	0.8
85.02962	1.7
89.02446	5.0
95.01388	1.8
97.02962	1.0
98.22646	1.5
99.00886	2.1
101.02452	3.2
101.03001	0.5
107.01403	12.8
110.00105	0.7
111.00891	1.3
113.02464	1.8
114.30477	0.5
119.03488	0.8
121.11398	0.6
123.00900	14.4
124.01676	8.2
125.02459	35.9
127.00407	0.8
136.98840	1.3
139.00385	3.4
140.01186	4.1
141.01941	3.2
151.00383	7.3
168.00655	2.6
169.01442	43.4
268.86246	0.5
295.34903	0.4
573.21899	100.0
574.22260	5.1
604.25116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65565	0.3
54.03915	0.3
59.01390	7.4
67.01904	0.6
67.19400	0.4
69.03464	1.0
69.06807	2.1
71.01386	4.5
73.02952	1.4
73.67800	0.3
76.96500	0.4
78.01128	0.4
79.01891	0.7
82.27847	0.4
83.01389	0.8
85.02979	1.4
89.02462	2.8
95.01402	1.5
96.96018	0.6
97.02960	1.6
98.21844	0.6
99.00906	1.4
101.02475	2.3
107.01398	32.2
111.00892	0.8
113.02465	1.5
119.03526	0.7
123.00894	11.3
124.01683	5.2
125.02459	70.0
126.02791	0.7
136.98828	0.5
139.00398	1.6
140.01178	1.2
141.01910	1.7
142.12311	0.3
151.00391	5.8
165.71663	0.3
168.00714	1.0
169.01440	86.5
170.01787	1.3
211.02399	0.4
223.02489	1.0
283.04630	1.5
421.11301	1.2
466.15472	0.4
573.21863	100.0
574.22284	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	573.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71865	0.8
61.98830	3.2
70.63937	1.5
78.91898	1.3
88.98839	1.0
93.03466	4.2
105.03475	1.0
106.51923	0.9
118.02037	0.7
121.02972	14.5
122.03748	14.9
123.04564	1.5
125.02432	1.2
133.02994	1.6
136.01700	1.3
149.02458	45.7
150.03244	91.4
151.03645	2.8
164.04813	13.8
165.05586	100.0
166.06369	34.6
167.07101	3.2
169.01512	1.5
175.04054	1.9
177.05753	0.9
180.04292	6.5
181.08717	23.1
181.10246	1.6
195.06647	71.8
196.06915	2.0
232.35434	0.9
267.06635	1.2
268.73920	1.0
269.08078	1.5
270.08939	1.2
285.07745	1.5
298.08472	1.5
299.09061	1.2
313.10840	2.3
314.11661	6.8
329.10300	2.4
329.13928	30.2
330.14313	1.6
343.11902	26.2
344.12360	1.9
377.16077	2.3
391.14066	1.5
439.19006	0.9
525.21362	25.4
526.21649	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	573.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.9
61.98830	2.6
71.01395	2.7
71.11007	0.9
89.02428	2.3
91.27043	0.9
101.02463	3.3
113.02487	1.6
235.08273	2.1
253.09355	14.0
277.21756	100.0
278.22055	3.4
313.66541	1.2
353.63370	1.2
573.34698	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31607	1.7
59.01386	6.5
61.98839	39.8
62.57096	2.0
71.01398	7.1
71.41460	1.9
71.81009	1.7
79.01923	2.1
79.26653	1.7
85.02966	2.9
89.02445	2.7
89.20431	1.6
95.01369	2.0
97.02956	2.0
101.02465	1.9
103.51438	1.8
107.01386	8.8
113.02451	2.6
123.00909	11.1
124.01673	9.5
125.02461	53.5
141.01970	2.4
150.03236	3.0
151.00374	8.2
154.83345	1.8
164.46390	2.0
168.00656	4.3
169.01442	100.0
171.85431	1.8
183.02968	8.6
197.04695	2.3
211.02478	5.4
225.04089	2.8
233.60881	2.0
241.03471	2.8
261.54926	2.2
271.04715	8.8
285.06168	2.9
300.99872	5.0
313.05704	40.8
331.06622	3.0
340.51440	1.9
511.10980	85.9
512.11371	3.8
513.30084	3.2
574.17761	12.7
575.09943	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	574.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70274	0.9
61.98836	100.0
69.88433	1.9
69.88786	1.6
93.82784	1.0
134.67044	0.8
143.93970	0.8
174.73083	0.8
410.97549	0.9
519.88873	0.9
551.65002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
63.70285	0.3
63.99611	0.3
66.82159	0.2
70.78150	0.3
75.10355	0.3
110.72181	0.3
129.69812	0.3
263.66354	0.3
420.85480	0.3
465.10663	0.3
528.05554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83812	6.9
52.44936	6.7
55.81342	7.4
59.01385	28.6
64.56895	6.5
69.09171	35.8
69.09577	14.3
71.01391	23.8
89.02448	9.9
96.96014	100.0
98.22610	15.6
105.72103	7.8
109.02997	11.3
115.00383	25.8
119.05070	25.5
123.00897	13.2
125.02478	36.3
133.01448	62.0
133.05087	27.1
135.04518	21.7
149.39481	7.8
161.02454	20.6
163.04034	32.6
169.01471	36.6
179.03514	18.5
181.05095	12.5
217.01453	8.5
229.01299	7.6
255.10217	10.3
275.01953	13.8
279.08630	15.1
300.99994	19.7
302.00168	8.8
343.08438	7.8
423.09375	12.6
526.87140	8.0
575.10541	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	575.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98425	1.3
69.03464	2.8
71.73509	1.3
83.01409	6.4
87.37202	1.5
93.03465	3.8
109.02994	5.5
116.86205	1.6
121.02971	1.9
123.00909	2.0
125.02454	5.6
125.97400	1.6
128.03561	3.3
135.00906	2.5
136.01654	2.4
136.15741	1.3
137.02458	60.6
137.61407	1.4
139.03957	1.6
147.00859	9.6
151.03775	1.7
161.02484	2.9
163.00391	11.4
163.04073	1.8
164.01152	2.0
165.01938	6.5
167.03500	9.4
167.04929	2.8
169.01561	1.5
175.00381	49.3
175.03909	1.9
177.01936	2.3
179.07959	1.4
180.77248	1.5
189.01955	3.1
191.03525	2.3
193.01428	100.0
194.01869	2.3
223.04140	2.1
225.05656	1.5
239.05663	1.5
243.02898	2.5
243.09966	1.4
245.04385	1.7
251.03523	29.3
261.00528	2.9
267.02951	2.2
269.04587	3.2
285.03961	1.5
295.02551	22.8
313.03574	32.4
314.03918	2.3
331.04611	28.9
332.04813	1.6
407.07083	2.1
427.74988	1.4
546.98730	1.6
575.06866	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.28033	52.2
71.01392	56.0
89.02474	73.7
89.02927	14.5
96.96043	16.0
98.21947	23.1
101.02473	24.4
110.16505	13.0
113.02473	23.0
119.03504	24.7
125.02440	16.6
161.04572	11.9
174.35973	9.3
179.05621	50.5
184.94209	12.2
316.85706	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	575.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.2
60.54802	2.3
70.35658	1.9
70.36001	4.6
71.01382	2.5
78.95880	2.6
89.02429	2.4
98.19146	1.9
101.02437	2.3
155.28391	1.9
161.04535	2.5
253.09239	14.0
279.23328	100.0
280.23608	2.5
415.18695	2.2
437.64603	2.6
442.42914	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	575.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.2
59.01388	3.1
81.03459	1.8
83.05046	4.6
95.05074	1.3
95.42207	1.1
100.96288	1.2
109.06618	2.8
111.08175	9.0
125.06154	1.5
135.82054	1.1
137.09758	1.5
163.11316	4.5
165.12904	1.6
167.10832	2.1
169.08459	1.0
171.10260	4.8
177.12978	1.6
179.10835	2.2
195.13882	7.7
207.10266	7.2
209.11850	89.5
210.12202	2.0
210.59319	1.2
225.11401	4.7
227.12897	9.5
247.20703	2.7
273.18872	1.5
291.19693	100.0
292.19934	4.0
293.21307	7.9
329.21335	2.1
401.10034	1.2
467.81003	1.2
483.30890	1.4
557.35333	2.4
575.36383	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	575.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20208	17.1
55.11916	16.6
55.51918	18.5
69.20553	100.0
79.31073	20.0
132.90524	16.2
199.48145	16.2
262.05127	17.3
382.86136	19.4
420.45798	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	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45785	0.4
61.98835	100.0
69.13707	3.4
80.96530	2.1
126.85083	0.4
148.98990	0.4
164.98589	0.7
278.22186	0.5
316.67487	0.5
338.73602	0.5
577.26965	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.12934	1.3
69.13350	0.6
70.13457	0.3
70.91446	0.2
70.97051	0.3
79.51182	0.3
79.95742	0.5
80.96532	1.9
88.13789	0.2
94.98110	0.6
98.21883	0.6
99.72794	0.3
120.00544	0.2
120.34220	0.2
164.98709	0.3
171.10333	0.3
209.11938	0.5
292.19724	0.3
487.98172	0.3
577.26880	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10408	0.9
54.54142	0.9
59.01370	1.4
59.73023	0.9
61.98835	100.0
69.14705	6.1
69.82054	0.9
72.62006	0.8
162.90091	1.0
188.52681	0.9
270.28516	0.9
310.77277	0.9
381.72806	1.0
436.42715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.5
66.73981	1.0
67.51953	1.0
70.58894	1.6
70.59226	2.0
78.95915	7.1
87.62983	1.1
99.76336	1.2
107.01855	1.0
110.69601	1.1
123.10493	1.1
163.91658	0.9
168.04385	2.2
168.48529	1.1
242.08000	2.8
277.21747	100.0
278.22079	4.4
315.58340	1.2
421.91907	1.3
502.29416	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	576.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.1
78.95912	27.9
85.25864	2.3
110.01880	1.9
119.80447	2.3
127.75642	1.9
152.99548	5.1
168.04274	2.7
224.06984	10.3
242.08122	2.6
266.11246	2.4
272.62238	2.3
277.21744	100.0
277.33887	2.3
306.75565	2.0
414.80991	2.7
502.29471	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1358
Annotation	ent-Epicatechin-(4alpha->6)-ent-epicatechin
Peak:m/z	Relative Intensity
57.03447	13.1
71.54528	1.1
77.17857	1.1
83.01390	4.0
93.03474	2.2
95.05012	1.3
96.96030	1.4
97.02966	4.2
107.05033	1.3
109.02972	18.4
121.02975	2.4
122.03748	1.5
123.04545	11.8
125.02462	100.0
126.02789	1.6
133.02979	4.5
135.02957	2.3
135.04536	3.1
136.01718	1.1
137.02461	18.5
139.04030	3.3
146.08246	1.4
149.02463	6.3
151.04036	13.7
159.04514	3.4
161.02451	29.3
161.03737	2.1
161.06128	6.4
162.03194	2.0
163.04012	3.6
164.01157	4.7
165.01926	4.3
167.03487	1.2
169.01448	1.4
173.06110	1.3
175.04007	10.2
177.01927	5.0
179.03503	6.3
187.04039	6.8
188.04776	2.2
189.01988	1.3
194.98236	1.3
200.04884	1.3
201.05684	1.3
202.06352	2.0
203.03464	2.6
203.07101	8.3
205.01477	2.0
205.05087	9.0
209.06328	1.5
211.04153	1.8
212.04759	1.7
213.05637	1.4
217.05092	1.7
227.03564	2.7
227.07191	1.9
229.05045	3.7
243.02902	3.8
245.04532	5.7
245.08186	14.6
255.03006	9.4
255.10297	1.4
256.03741	5.6
257.04498	2.8
269.04553	2.7
273.04037	5.2
274.01257	1.7
275.01978	2.6
281.04666	3.6
285.04135	2.2
287.05573	9.8
289.07202	74.7
290.07547	2.5
297.04092	1.6
299.05600	6.1
300.99857	3.3
329.06613	1.7
339.08752	4.0
368.03821	1.5
381.09726	3.5
397.05481	1.5
407.07758	66.0
408.08282	2.5
425.08838	22.9
451.10291	14.8
457.95636	1.6
480.05429	4.5
559.13062	1.5
577.13916	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	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65753	1.1
54.94976	0.9
56.12336	1.0
58.28470	1.0
59.01378	4.9
61.06627	1.0
71.01386	2.1
73.02953	6.1
78.95916	2.4
82.95419	6.5
89.02437	2.9
96.96027	13.7
96.96966	3.9
117.03473	3.3
119.05045	1.4
125.02472	1.9
127.00156	1.1
135.04504	1.1
149.02449	1.1
149.04565	1.4
151.00330	1.1
161.02490	1.2
163.04004	1.7
169.01436	2.8
177.01857	1.8
177.05569	2.0
216.09546	1.0
255.03094	1.0
281.04831	1.2
282.05292	1.7
283.02621	1.7
283.06000	3.3
285.04056	3.5
295.06174	2.9
296.06921	2.9
297.07681	14.4
300.99829	2.6
307.05936	1.2
309.07779	1.2
311.05585	2.9
323.05655	2.8
324.06363	1.4
325.07294	7.2
335.05542	1.9
337.07016	1.9
347.27478	1.0
353.06705	29.5
354.06775	1.9
365.06641	4.0
383.07755	18.4
395.07693	1.6
413.08459	1.2
457.11432	13.5
480.05338	3.8
487.12509	6.0
495.15161	1.4
577.15656	100.0
578.16272	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	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.6
56.30504	0.5
59.01388	4.4
61.98840	1.0
69.03458	1.5
69.25940	2.9
71.01386	6.2
73.02939	0.7
74.34441	0.5
79.01900	1.1
81.03480	0.7
82.95410	1.0
83.01385	1.0
85.02958	1.9
85.76308	0.5
89.02449	0.9
95.01394	1.4
96.96020	0.7
97.02958	1.2
101.02451	2.6
107.00680	0.4
107.01401	10.8
111.00888	1.4
111.86556	0.5
113.02462	2.3
121.03005	0.6
123.00898	9.0
124.01679	12.0
125.02458	66.6
137.02440	1.0
138.06941	0.7
139.00374	1.4
139.04001	0.8
140.01189	2.2
141.01953	1.5
147.04565	0.6
149.02458	0.7
151.00383	7.9
162.67920	0.6
165.01929	1.6
167.03502	1.5
168.00652	12.1
168.01997	1.0
169.01436	100.0
170.01727	1.4
178.99809	1.1
179.03545	0.6
183.03055	0.7
193.01335	0.8
201.12923	0.6
203.10846	0.7
204.11568	1.1
211.02486	39.2
212.02907	0.7
219.13867	1.4
241.03618	4.6
253.03574	0.7
271.04614	57.0
272.04962	1.7
313.05676	71.6
314.06042	2.0
331.06693	10.6
439.11517	1.8
482.98065	0.6
484.14920	0.9
499.17410	3.9
517.17401	0.7
547.19714	1.8
577.19287	83.1
578.19366	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	577.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
69.07928	2.0
69.08346	3.2
78.95910	37.3
79.95731	3.5
96.96016	100.0
96.96967	58.6
97.02986	0.8
98.02457	0.7
112.57623	0.6
124.26929	0.6
124.93007	0.6
164.36937	0.7
201.00790	1.2
211.02725	0.9
219.14937	0.8
257.07172	0.8
381.14886	0.7
430.90213	0.7
480.05511	1.1
512.68280	0.7
577.27686	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.0
60.48880	1.2
61.98835	10.0
65.51834	1.5
69.03454	1.7
69.47346	3.0
69.47757	3.8
71.01388	6.4
73.02943	2.4
78.98594	6.9
79.95741	10.7
80.42603	1.2
80.96526	70.0
81.03488	1.3
85.02940	2.9
87.00903	2.7
93.71315	1.5
94.98105	15.6
96.95993	1.7
101.02465	2.7
102.25575	1.3
106.98092	4.4
116.69074	1.2
122.97603	2.2
123.29589	1.4
125.02469	2.3
134.97604	4.0
142.20818	1.3
148.99152	6.3
152.98642	5.7
158.52626	1.4
164.98650	10.2
206.99686	2.3
209.11777	8.5
225.00757	13.0
277.21826	2.1
299.04517	1.5
492.78604	1.5
492.85608	2.1
577.26886	100.0
578.27283	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	577.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61194	1.7
59.01381	2.1
61.81134	1.5
61.98841	8.9
63.28473	1.6
65.60754	1.9
70.91628	2.0
70.91946	1.6
71.01376	7.5
73.02950	2.1
78.98592	5.4
79.95746	12.6
80.96525	75.8
85.02950	2.5
94.98097	18.0
96.95982	2.1
101.02460	2.1
106.98097	3.4
122.97575	5.7
125.02441	3.0
127.04108	1.8
134.97589	4.1
136.99115	1.9
148.99117	5.5
152.98613	7.5
164.98640	10.3
175.46948	1.9
182.99776	2.1
194.85153	1.8
203.08817	2.0
203.88425	2.1
206.99614	2.3
225.00743	13.4
274.74323	1.7
277.21594	2.8
299.04440	2.4
496.44351	1.9
577.26929	100.0
578.27380	6.7
595.73279	1.8
596.32715	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	577.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45665	9.8
58.10404	9.2
59.01379	19.2
61.98835	100.0
64.01745	10.4
89.02468	20.7
101.68583	12.3
126.99625	23.7
136.39226	11.8
415.88446	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45665	9.8
58.10404	9.2
59.01379	19.2
61.98835	100.0
64.01745	10.4
89.02468	20.7
101.68583	12.3
126.99625	23.7
136.39226	11.8
415.88446	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	578.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
63.85190	0.9
65.00362	0.7
67.01875	1.1
69.66747	2.5
71.01377	2.2
76.15414	0.8
78.01099	1.3
93.78020	0.9
94.02998	8.9
95.01402	1.1
97.02952	1.5
101.02466	0.8
107.00733	1.2
107.01405	19.4
111.00877	4.2
115.02787	0.7
123.00921	11.8
123.30907	0.9
124.01676	21.5
125.02460	62.7
126.02805	1.0
138.90900	0.9
139.00397	2.5
139.04021	0.9
140.01141	3.1
141.01932	1.8
151.00378	6.7
168.00645	5.8
169.01439	100.0
170.01839	0.9
184.04088	1.9
202.05130	2.6
211.02496	3.5
241.03435	1.3
246.04044	1.7
271.04688	1.0
296.12982	0.9
313.05658	18.3
379.54416	0.9
396.09323	3.5
408.09363	27.1
409.09546	1.2
426.10461	74.3
427.10648	3.6
562.87061	1.0
578.11523	63.3
579.11609	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	578.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30856	0.7
59.01384	2.5
63.03767	0.8
64.29768	0.6
67.01895	1.4
69.03436	0.9
69.14603	3.5
71.01385	2.6
78.20901	0.6
79.01918	0.8
81.03466	0.6
83.01428	0.6
85.02915	0.7
85.52405	0.6
85.71240	0.7
94.02989	8.1
95.01392	1.3
96.96014	0.7
97.02981	0.8
101.02475	1.6
107.01401	19.1
111.00889	1.7
112.55201	0.8
113.02440	1.4
113.42699	0.6
123.00881	9.4
124.01662	15.3
124.02498	1.2
124.48086	0.7
125.02458	69.1
126.80657	0.6
137.02437	1.4
139.00366	2.8
140.01186	1.8
141.01938	2.8
151.00356	7.8
151.04024	0.7
158.06219	0.7
165.05550	0.8
168.00650	4.7
169.01437	100.0
170.01816	1.9
175.04041	1.2
187.02809	1.0
193.01408	0.7
202.05087	2.4
211.02460	4.1
223.02431	0.8
241.03607	1.4
246.04178	2.1
253.03343	0.8
257.00739	0.7
271.04556	2.3
273.00797	0.7
274.00970	0.7
300.99811	0.9
313.05701	30.1
314.06021	0.9
396.09311	6.4
398.06036	1.0
408.09378	37.7
409.09824	1.8
426.10452	62.6
427.10645	3.2
511.24194	0.7
557.11108	0.9
571.46362	0.8
578.11578	49.7
579.11877	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	578.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.92479	0.8
69.11879	2.5
69.12301	2.4
77.87028	0.8
80.96526	1.0
98.21857	1.4
255.18849	0.7
280.23599	0.9
309.56531	0.8
496.88162	0.9
499.50717	0.8
579.54047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.9
61.98837	1.1
70.01569	2.7
78.95918	6.2
80.96527	4.0
85.91498	1.0
85.99448	1.0
86.33686	0.9
92.54881	0.9
94.98060	1.5
152.99609	1.3
164.98685	1.3
168.04282	1.6
212.26717	0.9
242.07996	2.5
252.10614	0.9
279.23312	100.0
280.23584	5.3
306.87326	0.9
409.22119	1.0
504.31015	29.1
514.92468	1.1
578.26935	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	578.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43050	2.3
59.01384	23.7
60.65186	2.5
61.98846	3.6
71.01392	2.7
78.95918	24.5
80.96513	15.2
90.31806	2.3
125.79230	2.6
152.99554	2.5
168.04417	3.6
168.24120	2.5
209.11853	4.4
210.12241	3.1
224.06999	9.7
243.93605	2.5
279.23331	100.0
280.23553	5.2
352.09369	2.5
371.95532	2.6
504.30969	59.8
505.31345	4.5
578.27118	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	579.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23228	0.6
57.94897	0.7
59.01387	0.7
69.94785	2.3
89.55610	0.6
96.96019	15.3
98.21947	0.9
105.42598	0.6
144.24139	0.6
191.00414	0.8
203.03598	0.7
229.01480	1.2
240.98082	0.9
244.97722	0.9
245.01051	1.0
246.99321	0.8
255.96938	0.8
256.97748	1.8
257.00961	1.8
258.01425	0.9
258.99286	0.8
268.97586	1.1
272.97287	0.7
274.99176	0.8
275.01993	4.4
283.96439	0.9
284.97205	6.5
298.95233	2.4
299.95923	1.2
300.96606	2.1
300.99927	7.4
301.97458	0.9
312.96588	4.3
313.97330	0.7
314.94647	0.8
319.01172	0.7
326.94620	1.2
326.98212	2.0
327.95526	0.7
330.97745	10.2
339.95258	1.5
344.95715	4.1
345.96274	1.8
354.97760	3.3
356.91238	1.6
356.95667	30.9
357.96198	1.4
368.99033	1.0
370.93591	8.0
371.94357	21.7
372.98828	24.1
374.96567	2.1
397.95587	0.8
398.96722	100.0
399.97009	3.6
400.94751	1.5
410.96796	1.7
416.97763	20.4
428.97842	1.5
458.99835	1.0
481.06433	3.9
579.03430	1.1
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
59.01377	1.6
69.61900	3.3
71.01382	1.2
75.00872	1.1
95.01399	0.8
96.96020	7.9
97.02947	0.9
101.02463	0.9
107.01402	2.2
109.02974	5.1
112.59653	0.7
114.60526	0.9
121.02945	1.6
123.00864	2.4
123.04483	0.8
124.01684	1.1
125.02470	8.9
133.02974	10.7
135.04527	3.4
136.01659	1.8
137.02408	0.9
146.03709	0.8
149.06091	1.0
150.03262	1.4
151.04024	2.5
157.02931	0.8
159.04494	1.0
161.02496	1.4
163.03909	0.9
168.00558	2.0
169.01450	11.7
173.02487	1.0
175.04033	4.1
177.01965	2.9
177.05608	1.7
179.03506	1.9
184.01958	0.8
187.04126	0.9
189.01900	1.3
189.05629	1.1
190.02666	1.0
191.03487	2.4
201.01912	1.6
203.03476	2.5
205.01572	0.8
205.05051	1.4
211.02377	3.9
219.03030	1.2
225.34738	0.9
227.03459	0.9
233.04623	1.0
235.02472	0.9
238.96117	0.9
239.07115	1.4
253.05208	1.2
267.06573	5.0
271.04556	4.5
275.01938	1.3
282.08945	3.7
283.06256	1.6
295.06158	1.2
297.04065	3.5
297.07886	1.1
297.11246	7.3
298.04834	10.8
299.05554	5.0
299.08994	0.9
301.00000	4.3
309.04111	1.9
310.04855	1.2
311.05554	8.4
312.06412	11.1
312.10037	2.1
313.07327	9.8
323.05664	2.3
325.07178	1.9
327.05066	6.3
327.12360	8.6
331.06790	1.3
339.05115	16.4
340.05573	1.2
341.06680	6.4
345.13583	5.0
353.06555	3.3
357.06061	2.4
357.13443	1.7
369.06168	45.2
370.06433	1.8
371.07422	1.1
375.14410	3.1
381.06210	5.5
383.07767	1.7
395.07831	1.1
399.07220	40.5
400.07526	1.8
406.03409	0.9
411.07233	4.7
423.06860	1.0
427.10742	1.5
429.08313	8.2
435.07297	1.0
441.08353	3.8
453.08557	1.2
459.09348	15.6
471.09454	2.8
483.07867	7.0
489.03314	1.4
489.10431	29.6
490.10822	0.9
501.10498	1.5
519.11444	6.5
561.12561	5.2
579.13556	100.0
580.13849	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	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.9
69.94582	13.8
95.40990	5.4
96.84222	4.9
96.95991	11.0
107.05033	16.8
110.30826	4.2
118.17900	4.7
122.54950	4.5
123.00848	5.6
125.02450	20.4
133.06660	8.2
135.02995	14.3
135.04524	13.6
149.06104	18.7
157.31691	5.7
161.02426	7.9
161.62111	4.4
169.01451	18.1
177.02013	26.1
177.05600	28.6
179.03494	40.7
184.22826	5.0
203.03435	5.6
211.02440	5.9
229.01219	7.9
239.05629	100.0
247.02519	5.4
275.01968	18.2
300.99872	32.9
302.00238	10.1
373.33444	6.1
391.02820	13.6
391.53137	18.5
392.03052	5.8
447.77936	5.6
537.62872	7.0
579.19843	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	579.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18923	2.1
59.01382	2.3
60.89722	1.8
69.41006	7.1
69.41411	4.0
83.15063	2.0
87.92019	2.0
90.35146	1.7
93.03458	4.5
98.21903	3.8
114.39546	1.8
116.79881	1.9
121.02997	3.4
122.03722	12.7
149.01376	1.8
149.02422	9.9
150.03236	72.9
165.05591	70.5
180.04248	7.4
191.03621	2.0
195.06636	36.7
233.20447	2.3
236.04829	6.7
252.04210	3.5
267.06607	6.9
280.03860	3.4
295.06091	24.9
323.05551	20.3
338.07745	3.6
342.82034	2.3
353.06610	48.3
353.10895	3.3
368.09027	25.9
383.11401	100.0
384.11752	3.7
519.39313	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	579.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57950	0.6
54.98903	0.7
57.67200	0.6
59.01386	1.0
64.84989	0.7
68.99820	20.5
80.02700	0.8
81.03474	1.4
88.28036	0.7
93.03518	0.8
95.01376	0.8
107.01363	0.9
108.02187	33.2
109.02972	5.1
117.03482	1.3
121.02966	1.4
122.03748	4.5
123.00892	8.5
123.04543	33.1
124.04824	0.8
125.02467	0.8
132.02205	5.1
133.02954	2.0
134.03731	1.4
135.04588	0.7
136.01636	1.2
138.03252	11.6
138.67766	0.7
147.04523	3.4
148.01672	1.5
150.03249	14.6
152.13570	0.6
153.05609	1.3
160.01649	1.4
161.02455	10.1
162.03247	29.4
163.04037	11.8
164.04774	1.4
165.05598	2.0
166.74309	0.6
169.95174	0.7
175.04002	6.9
176.04811	0.9
177.05595	39.6
178.02734	38.8
178.05925	0.8
179.03471	2.6
190.06367	4.1
193.05081	100.0
194.05838	11.9
217.05161	0.9
218.05879	13.5
222.05275	2.3
231.06726	0.9
237.05586	1.1
238.06407	3.3
250.06354	1.2
251.06952	0.7
253.05080	1.2
254.05911	2.1
265.05066	1.6
266.05841	4.6
269.08151	0.9
277.05072	1.4
278.05865	6.1
279.06619	2.3
281.04697	1.5
281.08264	3.4
282.05371	1.7
292.07388	1.5
293.04550	0.8
293.08054	0.7
294.05377	2.4
297.07739	2.4
306.05432	8.5
306.08829	1.1
307.06161	5.7
308.06683	0.8
309.04108	1.6
309.07733	2.6
310.05115	3.7
310.08084	1.0
320.06766	3.4
321.03925	1.1
321.07693	22.4
322.04782	2.2
322.08450	4.1
324.06381	2.8
324.09940	1.1
325.07211	18.6
326.07639	1.1
335.09250	2.1
336.10110	7.7
337.07257	17.1
337.10904	1.9
339.08783	6.7
340.09604	11.7
352.09491	5.2
353.10303	1.1
354.11041	10.2
355.11890	25.0
367.11887	35.8
368.12280	1.3
384.12247	1.4
395.11108	0.8
519.16730	2.1
531.16473	1.2
549.17365	2.8
561.17859	1.1
579.18750	33.5
580.19183	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22607	1.2
61.66836	1.1
69.24959	7.4
82.19262	1.3
93.03453	4.1
98.21923	2.8
121.02945	5.7
122.03767	12.8
123.04553	1.5
124.01640	1.1
133.03000	1.3
149.02457	21.1
150.03239	84.3
157.59865	1.5
163.04083	1.5
164.04773	2.7
165.05580	93.4
166.05948	2.0
180.04309	5.1
195.06650	46.1
196.06952	1.5
226.06517	1.4
236.04808	8.5
252.04321	4.2
267.06631	5.1
280.03790	3.5
295.06143	23.3
307.06180	1.3
308.03171	1.7
321.07739	2.6
322.08322	3.6
323.05655	21.2
324.06519	2.2
325.06891	1.2
335.05664	2.9
337.10764	2.3
338.07837	4.1
353.06699	44.8
354.07071	2.2
367.08185	1.6
368.08978	28.2
383.11401	100.0
384.11670	4.5
501.15576	8.3
531.16370	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	579.2091
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.33421	0.6
59.01390	8.1
61.98832	1.1
71.01392	4.6
73.02944	2.4
81.03481	0.6
85.02953	2.1
88.37428	0.7
89.02467	3.5
93.69349	0.8
94.98121	1.2
95.01370	1.3
96.81581	0.8
96.96028	2.5
98.95605	0.9
101.02445	3.1
107.01438	0.6
109.02950	1.8
113.02453	2.3
115.58633	0.6
119.03561	1.7
121.02966	2.4
123.00916	2.7
123.04559	0.9
124.01688	1.0
125.02454	3.7
137.02473	9.2
143.03496	0.8
145.02841	0.7
149.02470	1.1
150.99173	1.1
151.00391	19.6
151.04004	1.5
152.01199	1.9
152.04878	3.3
159.04494	1.1
161.04584	1.5
163.04028	0.7
165.01956	1.5
166.02733	58.5
167.03444	2.7
168.00580	0.9
169.01447	2.5
173.93980	0.6
175.04074	1.0
177.01962	2.7
179.03493	0.7
179.05618	0.9
179.07080	0.8
180.04352	0.7
180.06017	0.6
181.05084	68.5
182.05417	2.3
190.02815	0.7
190.06317	1.3
191.03485	0.8
192.04297	1.9
195.06615	2.6
205.05255	0.9
205.08775	1.4
207.06592	0.9
209.04561	2.0
209.08258	2.0
210.05241	0.7
211.02551	1.7
229.01598	0.6
251.05649	0.8
265.04880	0.7
271.04681	2.4
300.02658	0.8
301.00064	1.4
301.07095	0.9
343.21143	0.8
359.11520	1.6
371.15005	1.0
375.14584	2.0
387.10883	14.5
402.13144	6.9
417.15610	100.0
418.16013	6.3
433.24661	0.8
480.63986	0.8
540.76636	0.7
579.21289	1.9
579.30231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67205	3.4
51.83360	3.2
59.01368	11.3
61.98837	6.9
69.08628	5.5
69.09032	25.4
71.01389	100.0
73.02937	6.8
73.13014	3.9
83.05030	7.9
85.02942	5.8
92.44247	3.7
93.28934	3.5
97.02941	10.1
97.06617	3.8
98.22626	6.8
106.98334	3.4
109.06601	41.6
110.03772	3.7
121.06471	3.7
123.08141	5.2
125.09755	9.9
135.08228	5.1
155.10670	4.6
161.09694	6.8
163.11287	27.7
165.12881	3.9
171.10272	8.6
179.10800	7.0
181.12338	9.8
185.11818	9.3
197.11864	4.3
199.09767	6.5
201.11249	4.2
207.10291	62.6
209.11842	57.3
213.11400	6.8
223.09726	19.4
225.11337	37.3
226.11552	3.7
275.92172	3.2
286.32935	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	579.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11091	0.5
55.01868	1.8
57.03447	2.1
59.01386	20.9
60.01707	0.6
61.98840	4.2
69.03458	0.7
71.01389	19.7
71.42870	0.7
72.99316	1.1
73.02951	6.7
75.00865	0.6
75.77122	0.5
83.01380	2.5
85.02959	9.4
85.06589	0.9
87.00871	4.2
89.02459	6.9
95.01389	1.5
96.96017	0.7
97.02930	1.5
99.00887	3.0
100.76710	0.6
101.02451	14.5
111.00892	1.0
113.01737	0.6
113.02477	7.1
114.06883	1.3
118.36022	0.5
119.03513	2.3
123.00907	0.7
125.02458	3.1
125.09760	1.0
127.11285	0.6
131.03549	1.1
133.02940	1.5
134.53880	0.5
135.04529	2.2
137.02451	0.6
141.09251	1.8
143.03516	1.3
143.10780	2.2
151.00334	0.6
159.03021	1.1
159.04442	1.4
161.02446	2.3
161.04543	3.5
169.01482	1.5
173.06024	0.7
193.15970	1.6
209.11789	0.8
211.17043	1.2
217.82199	0.6
221.06676	0.8
253.09198	0.6
255.16164	2.8
417.21265	3.9
561.30774	0.8
579.26575	100.0
580.27057	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	579.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22703	100.0
136.47861	48.8
144.30693	49.5
171.90413	61.5
181.12392	55.3
225.61739	52.2
227.12775	71.9
428.09958	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
58.00595	0.7
59.01384	17.5
61.98824	1.2
62.96569	0.7
69.70161	2.6
71.01383	8.3
73.02949	2.8
78.95937	0.7
83.01386	1.1
83.05009	0.8
85.02960	3.1
87.00900	0.8
89.02464	4.4
95.01399	0.9
96.80698	0.7
97.06646	0.9
101.02458	8.2
111.08150	2.9
113.02478	3.6
119.03512	1.4
121.06566	1.7
131.03519	0.6
137.09735	5.6
157.96109	0.7
161.04576	1.1
165.12852	27.4
167.14397	1.0
181.12607	0.7
183.13914	73.8
184.14238	1.0
189.12820	0.7
195.13942	1.1
197.15495	11.1
207.13963	3.2
209.11845	5.3
225.14978	4.6
227.12904	100.0
228.13200	1.9
230.11552	0.7
251.12827	4.2
258.12112	0.8
269.13934	11.2
289.00107	0.8
299.15030	7.2
329.16071	24.7
330.16507	1.3
375.04074	0.6
389.18207	14.6
487.23035	0.7
579.31787	16.2
580.31818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33503	4.9
61.43516	4.4
61.98829	30.9
74.04017	5.1
75.92277	4.8
82.95432	22.2
96.95293	5.6
116.92886	6.6
121.02995	10.8
125.02476	7.3
135.04482	13.3
140.10106	4.9
151.00409	8.3
151.96498	5.6
169.01335	6.0
178.99878	19.3
180.07964	55.0
193.04936	6.2
195.10260	11.2
208.07280	11.0
223.09770	100.0
224.29967	6.2
233.68361	5.0
253.04997	7.8
265.04984	10.0
277.05127	5.3
370.82227	5.5
429.13278	7.6
431.15607	6.2
443.15005	9.5
447.14856	13.4
459.14456	44.0
462.16910	32.2
471.14514	19.9
474.16806	26.5
477.19235	57.3
489.19211	93.8
501.19214	23.5
507.20453	51.5
519.20233	77.9
520.21130	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	581.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48412	2.0
70.93780	2.7
79.22694	1.9
87.00881	12.8
96.96008	8.2
99.00875	8.2
117.01910	3.1
119.23243	2.3
123.04542	62.9
133.91667	2.1
145.01448	28.7
149.06123	13.8
151.04059	2.1
163.02505	56.6
165.05556	10.1
169.01349	3.1
175.03885	3.0
193.05049	10.8
195.03020	14.1
255.05113	100.0
334.62680	2.4
411.13467	2.4
537.95123	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.3
65.12408	2.9
78.22676	2.7
87.94415	3.5
96.96024	100.0
105.99422	3.3
120.87750	3.1
123.00840	3.5
125.02450	16.6
166.47382	3.0
167.03535	3.0
169.01450	20.2
179.03560	7.7
195.48413	4.0
209.04639	6.0
211.02448	3.7
239.05637	20.7
262.43460	3.4
267.53445	3.7
273.00320	4.6
275.02054	5.5
300.99997	8.8
320.37988	3.5
373.08795	3.9
474.70657	3.6
483.08002	5.1
581.12372	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	581.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68308	1.5
57.03456	2.1
59.01385	18.4
61.78190	1.3
69.03465	3.8
69.18915	9.4
71.01388	8.8
73.02946	3.6
79.75809	1.5
81.03461	18.6
83.01393	12.1
83.66936	1.3
85.02949	4.4
86.70068	1.5
89.02452	4.1
93.03453	5.0
95.01402	6.9
95.05027	6.9
96.96013	3.5
97.02969	12.9
98.21843	3.0
99.00893	2.0
99.04495	7.9
101.02460	4.1
105.73677	1.5
106.29784	1.5
107.01412	2.6
107.05013	4.3
109.02966	4.0
111.00903	1.8
111.04530	6.5
113.02464	7.2
115.02428	1.5
117.03510	3.2
119.05048	1.9
121.02934	3.0
123.00884	6.4
123.03645	1.6
123.04536	29.1
124.01652	4.3
125.02457	65.0
125.06052	1.9
131.03499	1.6
133.25891	1.6
135.04536	5.2
137.02452	16.2
137.06071	3.2
139.04028	5.4
149.02495	3.9
149.06030	1.7
151.04002	7.0
153.05536	6.3
153.12270	1.5
155.03430	2.3
161.04514	2.0
163.03996	3.2
164.01103	1.6
165.01982	2.7
165.05534	5.6
167.03500	62.1
169.01411	17.1
177.01997	2.5
179.03503	18.5
179.88168	1.5
181.05058	2.5
191.03522	2.3
197.04562	20.2
209.04568	89.7
210.04836	2.3
211.02435	6.1
221.04546	6.8
227.16553	3.1
239.05605	100.0
247.02510	1.7
251.05649	6.3
269.06674	42.9
271.04547	4.4
275.02039	4.0
281.06610	10.2
293.06311	1.6
299.07700	15.9
299.99030	1.7
300.99905	5.1
311.07620	7.5
313.05685	2.1
329.08881	17.3
341.08618	4.2
359.09720	4.0
371.07709	34.6
372.07843	2.0
401.08685	27.1
401.18179	2.5
419.11792	8.0
429.10461	3.2
431.09604	9.6
438.81500	1.7
443.09805	3.7
461.10876	13.5
473.11154	3.6
483.07736	4.3
491.12039	8.5
521.13306	2.1
521.25610	2.6
563.05261	1.7
563.13794	2.2
581.12988	13.0
581.22833	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38894	2.6
50.48677	2.4
57.03457	2.6
59.01382	18.6
60.99311	8.0
61.98837	8.3
63.02414	4.1
63.17410	2.4
64.51134	2.3
65.00327	5.6
68.26871	2.7
68.86035	2.6
71.01385	8.2
85.03011	3.6
87.00895	8.9
88.00410	5.4
88.98822	43.1
89.02460	100.0
96.96019	4.1
98.21909	7.3
107.01411	7.9
113.02470	4.2
117.63558	3.1
123.00898	7.0
124.01632	4.8
125.02480	23.3
138.03206	3.3
148.90991	9.2
150.03198	6.0
151.00377	20.1
153.05537	3.2
153.44713	2.5
165.05612	6.9
168.00711	2.9
169.01443	20.8
174.15800	2.5
176.90430	2.5
178.99876	33.1
183.02895	2.8
195.03093	2.7
201.05658	2.8
211.02544	4.6
271.04691	3.7
343.02783	2.8
478.54602	2.6
521.31134	5.8
581.08337	12.8
581.22235	7.6
608.29797	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80041	0.7
93.03461	4.4
98.70245	0.7
106.92845	0.8
119.05019	1.3
121.02967	5.1
122.03749	18.6
123.04492	0.8
133.02980	1.9
147.04561	1.8
149.02458	20.2
150.03239	100.0
151.03696	2.1
162.03221	1.0
164.04779	4.5
165.05582	94.2
166.05913	2.1
166.93288	0.7
175.04015	17.9
176.04713	1.6
177.05592	1.3
180.04303	6.2
188.04805	0.8
190.06366	10.2
195.06642	44.0
203.07019	1.2
208.66814	0.6
210.06828	1.2
218.05843	5.3
219.06564	1.1
221.06175	0.8
222.05247	3.9
237.05544	1.2
238.06323	3.6
249.05397	0.9
250.06316	1.4
253.05074	1.5
254.05832	1.9
265.05078	1.1
266.05844	3.7
267.02841	1.2
278.05786	7.0
279.06506	2.0
281.04532	2.5
281.08139	2.2
282.05222	2.0
293.04480	1.4
293.08078	1.2
294.05466	1.6
294.08984	1.3
295.09622	1.6
296.07083	0.8
297.07678	1.6
305.04691	0.8
306.05447	4.9
307.06180	3.7
308.06650	1.0
309.03967	2.9
309.07709	3.0
310.04715	3.0
320.06888	1.6
321.07687	18.9
322.05096	1.4
322.08365	4.1
323.09158	6.1
324.06317	4.8
324.09970	4.0
325.07172	13.9
335.09222	2.6
336.10095	5.4
337.07062	11.9
337.10858	3.2
339.04987	0.7
339.08740	10.7
340.09506	8.9
341.10074	2.6
352.09576	3.9
353.10022	1.9
354.07025	1.0
354.11041	9.1
355.11877	26.5
356.12170	1.3
367.11862	37.6
368.11945	2.6
445.12787	1.0
459.14395	0.9
473.12164	1.6
488.14716	1.7
489.15414	1.3
503.17126	17.3
504.17194	1.0
515.17133	3.2
533.10034	1.4
533.18231	23.8
534.18384	1.1
551.19250	17.0
581.20313	19.8
582.20551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06073	0.6
68.30564	0.7
69.22081	1.0
69.22488	2.8
80.87722	0.6
93.03470	3.9
105.03486	0.8
119.13943	0.6
121.02992	3.2
122.03751	16.1
130.70287	0.6
133.02994	1.1
136.01674	1.6
147.04552	1.0
149.02457	17.2
150.03241	99.7
150.33182	0.6
151.03612	1.6
162.03340	0.9
164.04799	3.9
165.05589	100.0
166.05936	2.4
175.04027	11.8
176.04764	1.3
177.05551	1.3
180.04300	6.1
181.05042	0.9
190.06377	6.8
192.80399	0.6
195.06642	53.1
196.07037	1.3
218.05846	6.7
219.06673	0.9
222.05327	2.1
225.05595	0.6
231.06735	0.7
237.05832	1.0
238.06407	2.0
249.05634	0.8
250.06377	1.4
254.05852	1.8
265.05032	1.5
266.05798	2.8
277.04861	0.8
278.05887	5.3
279.06613	1.5
281.08218	1.6
282.05457	1.2
291.06610	0.8
292.03668	0.6
293.08081	1.0
294.05399	1.9
297.07773	1.2
305.04636	0.8
306.05469	5.9
307.06247	4.5
309.04205	1.5
309.07745	1.9
310.04843	2.0
320.06805	0.9
321.07718	18.4
322.04813	1.7
322.08405	3.6
324.06448	2.2
325.07199	15.1
326.07660	1.3
335.09409	2.1
336.10046	7.8
337.07263	14.7
337.10916	2.7
339.08786	5.1
340.09625	8.4
352.09592	5.7
354.11096	5.8
355.11902	30.5
356.12433	0.7
367.11887	46.3
368.12228	2.0
503.17126	1.8
551.19238	8.2
581.20239	15.9
582.20740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98839	1.2
68.34824	0.5
68.99824	17.1
69.12917	3.2
81.03452	0.7
83.86751	0.5
86.86181	0.5
93.03468	0.8
95.01398	0.7
98.63448	0.5
103.11430	0.5
107.01431	1.2
108.02187	26.5
109.02974	4.9
115.34595	0.6
117.03498	1.7
121.02974	1.7
122.03774	3.5
123.00907	10.1
123.04539	26.3
125.02460	1.3
132.02196	4.6
133.02971	2.1
133.35620	0.6
134.03728	1.3
135.04581	0.9
136.01758	0.6
138.03258	20.0
147.04544	2.2
148.01703	1.9
149.02477	1.1
150.03239	14.8
151.03957	0.8
153.05592	1.0
160.01692	2.0
160.64478	0.5
161.01151	0.5
161.02467	11.0
162.03252	28.4
163.04045	10.2
164.04797	2.1
165.05574	2.2
167.03595	1.1
175.03952	1.0
176.04861	1.3
177.02011	2.6
177.05586	41.5
178.02737	34.5
178.05923	1.1
179.03487	3.0
190.06406	1.3
192.04298	2.4
193.05080	100.0
194.05847	20.1
195.06534	1.0
207.06668	3.8
219.06601	0.8
220.07442	1.9
226.04813	0.6
240.08009	0.9
243.06638	0.6
268.07455	3.6
279.06601	0.9
280.07413	1.1
283.09818	2.5
295.06235	0.9
296.06888	1.3
299.09229	1.1
308.06931	1.9
309.07645	1.7
311.09241	1.4
312.06396	2.9
322.08224	1.4
323.09387	3.1
324.06339	1.7
324.10147	1.7
327.08728	6.9
327.12280	0.8
337.10806	0.6
338.11649	1.2
339.08752	8.9
339.12378	1.5
340.09088	0.9
341.10495	1.2
342.11115	8.0
343.11627	0.9
354.11014	3.0
356.12790	1.5
357.13455	13.8
358.13867	0.7
358.45178	0.6
369.13470	12.1
373.12912	0.6
503.16589	0.7
551.19519	1.3
563.19244	0.6
581.20288	35.0
582.20557	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	581.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08496	1.2
61.98838	2.4
68.99825	20.1
69.88353	3.2
69.88721	2.7
91.97625	1.4
93.03432	1.3
95.01365	1.6
98.21948	1.5
107.01421	2.2
108.02183	30.5
109.02985	9.1
117.03482	1.5
121.02930	3.3
122.03749	5.0
123.00900	18.1
123.04541	31.7
124.01640	1.4
125.02435	2.7
132.02170	3.9
134.03802	2.1
136.01685	15.5
137.02490	1.4
138.03241	32.8
147.04523	1.9
148.01744	1.7
149.02551	2.1
150.03242	19.8
151.00397	3.7
151.04033	12.3
153.05540	1.5
161.02475	13.3
162.03241	41.3
163.04050	21.7
164.04819	2.3
165.05608	6.6
166.02728	7.5
167.03514	2.1
175.04057	1.5
177.05592	58.7
178.02731	37.9
178.05904	1.4
179.03537	6.2
181.05072	7.9
193.05084	100.0
194.05843	21.3
195.06583	3.8
245.99620	1.5
250.79384	1.3
276.16562	1.3
355.11996	1.5
357.09399	3.1
357.13361	2.2
367.11694	2.8
372.12167	2.4
387.14474	10.7
417.76675	1.4
551.19080	4.7
581.20166	43.8
582.19910	2.9
591.52039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18909	10.0
58.61515	10.4
59.01386	100.0
62.13280	10.6
65.47383	9.7
69.22421	60.0
70.60451	10.4
71.01391	58.0
71.43683	10.9
89.02462	80.2
96.71719	11.7
101.02462	15.4
113.02454	24.8
119.03527	37.8
158.51335	12.3
179.05594	28.4
275.65582	10.8
283.09735	28.5
311.09253	64.3
326.11548	43.2
341.13925	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74434	0.4
50.81850	0.4
59.01386	100.0
59.42216	0.4
71.01395	0.7
71.42001	0.6
71.84458	0.5
85.00462	1.0
85.03009	0.6
85.19443	0.5
85.83065	0.5
87.00910	0.8
93.38482	0.5
107.52498	0.6
116.92917	0.6
120.56859	0.5
121.03022	1.6
125.02440	0.8
128.90216	2.0
137.02435	1.2
145.03014	0.7
147.04501	1.2
150.03316	0.6
151.04054	1.3
157.09074	0.5
161.04716	0.7
163.04056	1.7
166.06360	0.7
169.01448	0.9
174.03236	0.8
175.04019	5.3
176.04849	1.0
177.05544	0.6
178.99908	0.7
180.04337	0.7
183.58771	0.5
188.04878	0.6
189.05687	1.8
190.06357	6.1
191.07124	3.2
193.05087	1.2
194.05856	0.6
196.47293	0.5
203.07188	0.9
205.08696	4.6
207.06761	1.3
208.07425	5.3
222.09114	2.0
235.50009	0.5
255.10399	0.8
269.08221	7.9
271.09753	0.6
281.08310	1.1
283.09860	4.6
294.09161	0.9
295.09900	0.5
298.12387	0.5
299.09277	6.2
311.09241	9.5
311.12482	0.7
314.11624	16.1
315.12305	0.6
325.10941	0.8
326.11618	8.2
329.13953	50.2
330.14459	1.9
341.13971	27.9
342.14285	1.4
359.15460	0.8
374.13974	1.1
389.16101	26.7
390.16763	1.5
419.17502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28007	6.4
58.60058	6.8
59.01387	34.8
61.98828	17.8
70.51909	6.7
71.01388	11.7
80.65626	7.0
82.95443	10.7
87.00944	7.8
89.02467	12.6
89.81879	6.9
95.01356	7.0
101.02435	7.9
107.01406	17.9
116.92834	12.2
123.00880	15.1
124.01684	14.3
125.02461	71.4
138.71777	8.7
150.03241	9.5
151.00398	47.9
165.05449	10.3
167.03265	7.0
168.00652	18.2
169.01445	47.5
178.99855	60.7
184.75034	7.6
191.22433	7.8
195.03001	10.8
198.51538	6.9
211.02513	61.6
237.78242	6.6
271.04614	100.0
331.06821	28.9
341.10211	21.7
356.12396	9.7
367.66797	11.1
371.14960	35.9
393.09363	8.5
455.05557	8.0
501.97443	9.2
537.19684	12.2
559.48334	7.6
576.92694	7.7
581.09552	24.9
581.19305	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
59.01385	64.5
69.03484	2.1
71.01390	19.9
71.43513	1.1
72.99317	2.0
73.02956	9.0
76.27409	0.9
80.95606	0.9
83.01394	5.8
85.02953	13.6
86.00105	1.0
87.00899	2.8
89.02470	4.5
93.03466	3.9
95.01398	4.9
95.05015	1.6
97.02971	1.3
99.00898	3.4
101.02457	13.3
107.01381	1.1
108.02203	1.2
111.00894	1.1
112.01669	1.9
113.02468	9.3
119.03574	2.2
121.02963	7.8
122.03745	12.1
123.00896	2.5
123.04606	1.7
124.01670	1.5
125.02471	5.9
132.02217	2.6
133.02965	13.1
134.03764	2.8
135.04526	2.7
136.01694	1.7
137.02440	1.3
145.02969	2.1
147.04556	2.2
149.02458	52.0
149.06097	3.3
150.03242	75.3
151.00468	1.8
151.03772	1.0
162.03270	2.2
164.04823	10.9
165.05574	67.3
166.06400	8.1
167.07120	1.4
168.00760	1.1
169.01447	6.2
177.05550	2.8
180.04276	4.2
181.08662	7.4
195.06628	29.9
197.06131	1.1
211.02483	2.4
275.01910	2.0
283.09454	1.2
300.99673	1.3
314.11746	7.2
315.12350	2.9
325.12955	17.2
329.13962	16.5
343.14087	5.9
371.15042	1.2
385.15027	2.4
429.13971	1.9
458.16162	2.4
473.18195	100.0
474.18494	5.5
491.19257	47.1
492.19839	1.8
521.20520	5.5
521.27417	1.5
533.20337	32.1
539.21643	5.7
581.14856	4.1
581.22437	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	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28007	6.4
58.60058	6.8
59.01387	34.8
61.98828	17.8
70.51909	6.7
71.01388	11.7
80.65626	7.0
82.95443	10.7
87.00944	7.8
89.02467	12.6
89.81879	6.9
95.01356	7.0
101.02435	7.9
107.01406	17.9
116.92834	12.2
123.00880	15.1
124.01684	14.3
125.02461	71.4
138.71777	8.7
150.03241	9.5
151.00398	47.9
165.05449	10.3
167.03265	7.0
168.00652	18.2
169.01445	47.5
178.99855	60.7
184.75034	7.6
191.22433	7.8
195.03001	10.8
198.51538	6.9
211.02513	61.6
237.78242	6.6
271.04614	100.0
331.06821	28.9
341.10211	21.7
356.12396	9.7
367.66797	11.1
371.14960	35.9
393.09363	8.5
455.05557	8.0
501.97443	9.2
537.19684	12.2
559.48334	7.6
576.92694	7.7
581.09552	24.9
581.19305	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03451	4.7
59.01389	14.4
61.98833	1.3
68.09869	0.8
69.03472	1.3
71.01388	17.3
73.02946	5.7
79.95854	0.8
83.01396	2.8
84.55582	0.6
85.02960	10.2
87.00916	1.2
89.02438	3.2
95.01393	1.1
99.00889	2.1
101.02456	13.1
111.08183	5.1
113.02460	7.2
119.03460	1.0
128.29001	0.7
130.52710	0.7
137.09760	0.8
161.04573	3.1
165.12860	34.4
181.12424	0.9
183.13913	93.5
184.14284	2.1
191.10689	0.9
209.11847	5.5
209.15442	5.1
214.28455	0.7
227.12895	6.6
234.04655	0.7
371.20660	4.9
563.32257	0.9
581.33374	100.0
582.33667	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	582.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13885	0.4
59.01385	0.5
60.31165	0.4
61.98836	100.0
70.37045	0.4
70.65810	0.7
75.99615	0.4
80.81458	0.4
87.00876	0.6
105.23973	0.5
132.89334	0.5
151.83768	0.4
162.03262	0.4
169.01492	0.7
181.22063	0.5
285.61905	0.4
353.09149	0.4
398.10538	0.5
428.23495	0.4
583.24341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.5
60.91999	2.9
61.98832	21.9
69.09119	5.8
69.09534	12.5
70.93854	2.3
71.01373	2.4
80.76789	2.2
87.00852	4.1
87.09109	2.3
89.22832	2.2
107.01389	4.3
107.31837	2.2
123.00896	4.1
124.01642	13.6
125.02468	23.1
140.01160	2.8
168.00645	17.3
169.01448	41.7
178.99843	2.9
188.22009	2.3
211.02515	78.2
227.02138	2.4
271.04636	100.0
272.04999	3.0
331.06772	25.3
333.97318	2.9
519.18756	73.2
520.18994	4.1
549.11310	2.9
583.24109	4.9
584.28870	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	582.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52987	1.9
53.53749	2.2
57.25119	1.9
59.01384	100.0
60.26339	2.3
69.17817	8.6
69.18224	4.3
70.52792	1.9
71.01385	58.0
72.99266	2.3
73.02943	5.3
83.01365	3.9
85.02953	9.4
89.02451	84.9
95.01386	4.1
101.02442	25.1
113.02470	27.4
119.03506	30.4
123.00920	3.3
125.02426	10.9
125.58861	2.2
131.03474	5.0
136.22217	1.9
143.03471	9.5
149.02429	5.4
149.04538	5.8
150.03229	8.1
161.04555	11.7
165.05569	9.8
169.01431	11.3
179.03427	2.2
179.03987	2.9
179.05620	37.5
195.06648	5.6
275.01849	2.5
300.99750	3.6
359.14844	2.5
424.00470	2.2
477.08835	2.2
495.09268	6.1
498.20496	2.6
521.07025	3.8
532.15149	2.2
539.08417	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	582.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37019	90.0
81.44215	78.9
92.95755	86.8
103.91808	79.4
115.72895	81.6
123.78072	71.1
172.22107	90.6
181.73482	82.2
195.84232	100.0
348.56137	81.9
429.49207	81.1
442.25082	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13820	0.8
65.13558	0.8
69.06983	5.3
81.70323	1.0
93.03450	6.3
121.02247	1.1
121.02987	10.8
122.02895	1.6
122.03751	21.0
122.63190	1.1
124.01693	1.5
132.02278	1.2
132.13605	1.3
133.02959	1.5
135.04541	5.6
136.01663	13.7
137.02443	1.8
147.04552	1.9
148.15065	0.9
149.01279	1.5
149.02460	29.0
150.03241	100.0
151.00331	2.4
151.04036	12.9
152.01109	1.0
160.05286	1.9
161.06126	0.9
163.03947	2.1
164.04807	5.9
165.05583	95.9
166.02747	8.5
166.05927	1.9
167.03467	2.7
174.03397	0.9
175.04031	4.4
175.42937	0.9
180.04321	5.6
181.05067	11.0
189.05554	4.7
190.06395	4.7
195.06638	54.2
196.06981	1.2
205.08714	1.9
282.05621	1.0
329.10278	4.2
342.11023	1.8
356.12592	3.0
357.09671	1.5
357.13504	12.8
369.13272	1.1
372.11887	2.0
373.12851	2.5
387.14490	28.1
388.14560	1.6
505.18930	7.3
517.19012	2.2
535.19824	48.1
536.19958	4.0
583.21716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59002	0.4
58.84081	0.4
58.84689	0.4
61.45652	0.5
70.13408	0.8
77.03983	0.4
93.03477	4.1
105.03475	0.7
121.02967	4.7
122.03749	17.0
123.04544	0.8
124.01685	0.7
125.02483	0.7
133.02991	1.5
134.03766	0.5
135.04543	0.8
136.01680	1.1
146.03786	0.6
147.04619	0.5
148.01668	0.4
149.02454	28.4
150.03235	100.0
151.03735	1.4
159.04474	0.8
162.03278	0.5
164.04813	5.8
165.05577	90.0
166.05934	1.6
174.04744	0.4
175.49461	0.5
176.04776	0.5
177.05533	2.0
178.20016	0.5
179.07190	0.5
180.04285	5.5
190.06419	1.5
192.07906	0.7
195.06635	49.2
196.06921	0.9
198.34343	0.4
225.05447	0.5
237.05534	0.8
240.07967	1.2
249.05482	0.5
256.07480	0.6
267.06677	0.9
267.10242	0.4
268.07471	2.1
269.08078	0.4
278.05917	0.4
279.06821	0.7
279.10022	0.7
280.07458	0.8
283.09750	1.2
284.06805	0.8
294.08704	0.7
295.06265	0.9
295.09561	0.9
296.07004	1.1
297.07816	0.6
297.11273	0.8
299.09189	0.8
307.06332	0.8
307.09729	1.0
308.06885	0.9
308.10519	1.6
309.07657	1.3
309.11063	0.8
310.08289	0.5
311.05731	0.7
311.09113	0.7
312.06433	2.2
312.09653	0.5
313.10812	0.6
322.08255	0.9
323.09219	3.3
324.06445	0.7
324.09906	1.9
325.07120	0.7
325.10745	2.6
325.20044	0.4
326.08102	0.6
326.11581	4.0
327.08749	6.3
327.12253	0.8
337.10791	0.9
338.11618	0.9
339.08783	8.9
339.12518	1.7
341.10294	1.0
341.14020	1.1
342.11063	5.4
343.11880	0.7
354.11057	3.4
357.13467	20.2
358.13705	1.0
369.13455	22.0
370.13693	0.7
398.97043	0.5
399.63974	0.5
457.12640	0.9
461.16168	1.3
473.16122	0.5
487.17542	1.4
489.15378	0.6
490.16193	0.9
505.18732	6.2
517.18445	1.6
530.29242	0.5
535.19769	37.1
536.20264	1.5
553.20697	0.7
583.22119	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	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28411	0.5
61.98836	0.9
93.03477	3.6
96.26052	0.6
108.02145	0.9
120.19214	0.6
121.02968	5.8
122.03750	16.1
123.00860	0.6
133.02986	2.3
135.04538	0.6
136.01680	7.3
137.02463	1.2
140.34843	0.5
149.02461	16.8
150.03241	99.9
151.00333	1.5
151.04034	7.5
164.04803	3.3
165.05585	100.0
166.02756	4.4
166.05920	2.3
175.03932	0.9
180.04280	6.9
181.05095	6.3
190.06380	1.0
195.06648	68.0
196.07074	2.0
198.73233	0.5
259.63019	0.5
329.10306	0.8
342.11057	1.0
357.09729	1.2
357.13519	9.0
372.12076	0.7
373.12692	0.8
387.09723	0.8
387.14499	14.7
390.91473	0.6
505.18213	0.8
535.19775	2.8
583.21704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58894	0.3
71.97767	0.3
75.61355	0.3
77.51132	0.3
80.22032	0.4
85.58174	0.3
93.03471	3.8
96.82623	0.3
105.03432	0.4
108.02129	0.4
121.02970	3.4
122.03746	14.3
123.00882	0.4
123.04566	0.5
125.02460	0.4
133.02959	2.0
135.04544	0.5
136.01678	1.1
138.03262	0.4
149.01462	0.2
149.02446	17.1
150.03235	91.7
151.03632	1.0
153.05643	0.7
160.01682	0.8
164.04797	3.1
165.05577	100.0
166.05920	1.5
169.01401	0.4
175.04056	0.4
177.05554	0.6
179.03624	0.3
179.07101	0.5
180.04279	6.6
190.06410	0.5
193.01479	0.4
195.06635	62.2
196.06947	1.0
208.03839	0.6
223.06120	0.6
240.07954	1.2
256.07416	0.5
267.06619	0.5
268.07376	2.1
279.06696	0.8
280.07413	1.1
283.09842	1.8
284.06985	0.7
293.08163	0.6
294.09052	0.5
296.06790	1.0
297.07813	0.7
299.09216	0.7
308.07022	1.7
309.07602	1.3
311.09177	0.7
312.06387	1.4
313.10529	0.5
323.09229	3.5
324.06305	1.1
324.10046	1.7
325.10611	0.7
326.11749	0.6
327.08823	5.7
327.12439	0.4
329.13644	0.4
337.10492	0.4
338.11566	1.2
339.08746	8.5
339.12354	1.1
342.11060	4.6
354.11072	4.3
357.13461	21.0
369.13455	20.9
370.13541	0.6
387.70969	0.4
393.41010	0.4
425.12512	0.4
494.00729	0.3
500.05356	0.3
505.18637	0.9
517.20532	0.4
535.19556	1.4
578.61340	0.4
583.22064	1.4
607.85815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.9
60.18620	0.8
60.74790	0.8
61.98828	3.2
70.68950	0.8
93.03477	3.7
98.22708	1.7
110.80622	1.0
120.01273	2.2
121.02947	4.1
122.03761	12.3
123.00925	1.5
124.01667	1.4
125.02477	1.8
133.02992	1.1
136.01648	1.6
149.02446	21.2
150.03238	90.1
151.03682	1.4
160.01697	0.9
161.98767	0.9
164.04767	4.3
165.05580	100.0
166.05965	1.6
169.01421	3.3
177.05545	1.7
178.99910	1.9
180.04320	7.0
195.06638	64.9
196.07086	0.9
211.02551	0.9
240.07935	1.6
256.07550	1.0
268.07480	2.9
271.04700	1.2
271.09726	1.5
280.07574	1.2
283.09857	1.7
308.06763	1.1
309.07748	1.4
312.06375	1.5
323.09201	3.6
324.06522	1.0
324.09921	1.9
325.10782	1.2
326.11490	1.7
327.08694	7.6
338.11472	1.1
339.08694	9.5
339.12228	1.9
342.11191	6.3
354.11176	4.9
357.13467	22.6
358.13712	1.1
369.13470	21.6
375.70416	1.0
505.18588	4.1
535.19708	10.9
536.19873	1.5
570.74658	1.0
583.23547	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2193
Annotation	buddlenol E
Peak:m/z	Relative Intensity
55.59280	0.6
68.39227	0.6
69.08489	4.7
76.83492	0.7
93.03452	3.8
98.22622	1.2
105.03481	2.6
121.02972	6.3
122.03762	18.0
123.04488	1.0
132.02191	2.2
133.02975	9.7
134.03764	11.1
135.04546	13.6
136.01677	1.3
137.02422	1.3
140.58984	0.6
147.04510	1.3
148.05316	3.0
149.02461	16.9
149.06091	3.5
150.03236	100.0
151.03989	3.4
160.01678	3.4
161.02484	1.3
163.04048	1.3
164.04785	4.5
165.05583	96.8
166.05846	1.9
175.04005	5.6
177.02046	1.0
178.02718	3.2
179.03511	11.8
179.07129	1.6
180.04286	6.0
181.05109	2.4
182.10017	0.7
193.05063	9.1
195.06642	41.5
196.07033	0.8
207.06636	2.3
289.48114	0.7
322.05344	0.7
357.09918	1.0
371.11020	0.9
372.12091	4.2
373.12869	1.6
385.12875	1.3
386.13800	5.8
387.14529	50.8
388.14758	1.6
394.83575	0.6
430.27390	0.8
535.19855	8.4
565.21155	1.4
583.21924	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	583.2191
Annotation	Buddlenol B
Peak:m/z	Relative Intensity
54.94710	0.5
61.08283	0.5
61.38852	0.5
65.96443	0.5
70.89819	0.6
89.03978	0.6
93.03471	4.7
95.05035	1.6
100.23270	0.5
105.03477	5.8
108.02187	0.9
117.03469	0.8
119.05038	1.9
121.02973	5.7
122.03763	14.5
123.04531	2.4
132.02171	6.3
133.02971	24.5
134.03763	22.3
135.04541	23.2
136.01677	3.1
137.02478	2.6
145.02969	1.2
146.03781	1.5
147.04543	6.0
148.05322	7.2
149.02461	21.9
149.06104	8.5
150.03238	100.0
151.04066	4.9
160.01672	11.0
161.02464	6.3
161.06088	1.8
162.03264	1.3
163.04054	3.4
164.04831	6.6
165.05583	86.3
166.05908	1.0
170.61234	0.5
175.02498	1.2
175.04008	20.1
177.01959	3.4
177.05579	1.6
178.02718	4.8
178.06233	0.7
179.03513	23.4
179.07083	2.5
180.04300	7.6
181.05066	3.0
193.05083	18.5
195.06639	31.8
196.07112	1.2
205.05148	0.8
207.06593	3.5
327.45123	0.6
355.11902	0.9
357.09647	2.0
371.11292	2.2
372.12189	10.9
373.12964	13.1
374.13324	0.8
385.12933	1.6
386.13760	20.1
387.14499	65.3
388.14825	1.8
409.65292	0.5
430.70712	0.5
441.15570	0.9
459.16769	1.2
461.73660	0.7
505.16037	0.6
520.17334	2.1
535.19775	58.7
536.20117	3.1
565.21045	2.3
583.21912	30.1
584.22321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
57.03450	2.9
57.27462	0.8
58.00590	1.0
59.01385	100.0
61.98835	6.0
69.03457	1.8
69.27564	0.8
69.54555	3.3
71.01386	70.0
71.07202	0.8
72.99323	2.6
73.02950	13.0
75.00910	0.9
81.03492	0.9
82.95451	1.2
83.01389	7.0
83.93417	0.8
85.02957	23.8
85.03474	1.2
87.00889	6.3
88.98818	1.0
89.02453	69.9
93.03482	1.4
95.01406	5.0
96.36162	0.7
96.96049	2.1
97.02950	2.2
98.22637	1.6
99.00907	5.1
101.02453	48.1
107.01425	2.7
111.00925	2.9
113.02458	33.1
115.97572	0.7
119.03513	18.2
121.02955	1.0
122.03735	1.6
123.00909	7.1
123.04548	1.4
124.01666	5.2
125.02458	13.9
129.67554	0.9
131.03511	31.6
131.04453	1.8
133.03055	0.9
135.04568	1.3
139.00400	1.3
141.01860	1.1
143.03508	5.8
149.02699	1.5
149.04570	32.9
150.03212	5.0
151.00404	4.6
155.03477	0.9
161.02469	2.4
161.04588	7.4
165.05598	4.6
168.00681	3.8
169.01445	17.9
169.02802	1.4
173.04596	1.3
179.05655	14.2
191.05623	10.4
195.06703	2.6
211.02475	11.8
215.05659	1.4
233.06738	1.4
251.07765	1.0
271.04645	15.1
272.04984	1.1
285.06613	0.8
289.16617	2.0
293.08984	2.4
311.09860	1.3
313.05673	1.0
331.06836	3.3
353.11218	2.2
385.18896	1.7
421.20844	67.9
422.21320	2.2
431.19009	1.4
513.20117	1.9
523.34686	2.5
535.20068	2.0
547.22290	2.4
565.22998	1.2
583.25800	75.8
584.26276	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	583.2609
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
55.01886	2.4
57.03450	2.9
57.27462	0.8
58.00590	1.0
59.01385	100.0
61.98835	6.0
69.03457	1.8
69.27564	0.8
69.54555	3.3
71.01386	70.0
71.07202	0.8
72.99323	2.6
73.02950	13.0
75.00910	0.9
81.03492	0.9
82.95451	1.2
83.01389	7.0
83.93417	0.8
85.02957	23.8
85.03474	1.2
87.00889	6.3
88.98818	1.0
89.02453	69.9
93.03482	1.4
95.01406	5.0
96.36162	0.7
96.96049	2.1
97.02950	2.2
98.22637	1.6
99.00907	5.1
101.02453	48.1
107.01425	2.7
111.00925	2.9
113.02458	33.1
115.97572	0.7
119.03513	18.2
121.02955	1.0
122.03735	1.6
123.00909	7.1
123.04548	1.4
124.01666	5.2
125.02458	13.9
129.67554	0.9
131.03511	31.6
131.04453	1.8
133.03055	0.9
135.04568	1.3
139.00400	1.3
141.01860	1.1
143.03508	5.8
149.02699	1.5
149.04570	32.9
150.03212	5.0
151.00404	4.6
155.03477	0.9
161.02469	2.4
161.04588	7.4
165.05598	4.6
168.00681	3.8
169.01445	17.9
169.02802	1.4
173.04596	1.3
179.05655	14.2
191.05623	10.4
195.06703	2.6
211.02475	11.8
215.05659	1.4
233.06738	1.4
251.07765	1.0
271.04645	15.1
272.04984	1.1
285.06613	0.8
289.16617	2.0
293.08984	2.4
311.09860	1.3
313.05673	1.0
331.06836	3.3
353.11218	2.2
385.18896	1.7
421.20844	67.9
422.21320	2.2
431.19009	1.4
513.20117	1.9
523.34686	2.5
535.20068	2.0
547.22290	2.4
565.22998	1.2
583.25800	75.8
584.26276	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	583.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03450	3.5
59.01385	15.0
61.98834	3.6
62.69982	0.8
69.03461	0.9
69.78334	2.1
69.78680	0.9
71.01390	21.0
72.99323	0.8
73.02954	8.2
83.01392	4.0
85.02959	11.5
87.25855	0.6
89.02465	2.1
95.01396	1.7
97.02923	0.8
99.00874	2.5
101.02450	13.8
111.08169	4.5
113.02468	7.2
119.03494	0.8
122.06143	1.7
125.02469	1.3
148.53604	0.6
148.96622	0.7
161.04567	5.6
165.12866	38.3
166.13141	1.0
183.13914	99.1
184.14305	1.4
209.11852	6.7
211.17128	1.7
213.15062	3.4
227.12943	4.9
252.08966	1.1
253.09796	2.6
266.10474	1.2
267.11401	4.4
268.12247	2.0
309.20721	1.3
311.10547	1.1
373.22400	4.1
388.16556	1.2
390.18161	1.0
404.19720	1.0
416.19882	2.0
434.17038	2.3
457.09436	0.8
460.18857	1.4
583.34888	100.0
584.35327	5.0
589.56946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86629	0.9
57.03449	8.0
59.01385	18.1
61.98817	2.2
69.03442	1.7
71.01396	6.6
71.05033	7.5
72.02174	1.0
72.22595	1.0
72.99333	1.0
73.02953	33.0
76.09945	0.8
81.03452	2.7
83.05033	29.7
85.02959	15.1
87.00870	1.2
87.40614	1.0
88.98802	5.1
89.02437	2.2
95.01366	1.3
96.96029	2.1
97.06616	1.3
99.04518	2.6
101.02435	1.5
101.06104	7.2
105.91975	0.9
107.01375	1.1
107.05013	0.9
109.02892	1.1
109.06609	6.9
110.03757	1.3
111.04541	4.7
113.02446	1.6
123.00918	4.3
123.08157	1.1
124.01670	4.1
125.02463	8.8
125.06100	23.2
127.07668	5.2
135.04588	1.4
139.00392	1.0
140.60275	0.9
141.01933	1.0
143.07153	2.8
145.08725	92.3
146.09055	1.2
150.03206	1.4
151.00356	2.8
165.05547	2.8
166.34235	1.3
168.00647	3.6
169.01466	8.7
203.03600	0.9
203.12851	4.9
211.02423	2.6
215.30641	1.1
220.13313	1.0
231.13850	1.1
233.04555	0.9
249.15036	1.4
255.13957	1.0
271.04706	1.7
273.14926	3.5
275.01923	1.2
283.17087	1.7
285.14963	2.7
285.18451	1.4
299.98941	1.8
300.99844	1.7
301.18152	7.0
303.19537	3.0
311.46964	0.9
314.00558	1.5
319.19113	10.9
331.19205	1.1
343.18973	1.3
346.60483	1.0
349.20175	1.0
351.01602	1.4
361.20322	1.9
373.20245	2.4
379.00882	1.4
385.23895	2.1
391.21359	2.3
393.23648	1.6
407.00269	2.0
411.25296	2.2
423.00146	1.3
424.00952	1.6
429.26523	3.2
439.06842	1.9
443.28043	1.1
447.27637	5.6
465.28610	43.9
466.28909	1.8
477.08301	1.2
495.09531	3.8
521.07507	1.6
523.32794	100.0
524.33124	3.7
539.08307	2.5
565.06445	2.0
565.22406	1.5
583.07434	2.5
583.24298	22.8
584.24200	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41854	1.3
57.03459	7.9
57.93771	1.4
59.01387	16.7
61.98832	3.6
65.64336	1.4
69.30638	5.9
71.01375	3.0
71.05032	6.9
73.02952	31.3
80.91711	1.4
81.03460	2.8
83.05032	26.1
85.02955	17.1
87.04541	1.4
88.98814	10.9
89.02444	2.5
92.52250	1.4
98.22630	2.3
101.06097	7.3
103.01528	1.8
109.06605	6.8
111.04533	2.5
123.00869	1.6
124.01630	3.8
125.02449	4.9
125.06099	21.9
127.07636	5.1
143.07138	3.2
145.08722	93.7
151.00423	1.9
153.01894	1.8
169.01389	3.8
190.25768	1.3
203.12888	6.1
233.15451	1.9
267.13739	1.7
273.15027	2.7
275.16342	1.6
277.09003	1.3
283.17056	2.0
285.15067	1.6
301.17987	6.4
303.19662	3.2
319.19159	12.3
361.20087	4.1
391.21222	3.0
393.23520	2.4
411.25308	2.4
429.26672	2.3
447.27341	3.7
461.28769	1.8
465.28598	49.2
466.29001	2.5
523.32825	100.0
524.32892	6.1
583.24384	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	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65540	0.6
59.01380	4.4
61.98837	100.0
71.01392	1.3
75.00865	0.7
76.83824	0.5
85.02955	0.7
88.98814	0.6
89.02467	1.3
89.21577	0.6
101.02469	1.2
107.01416	0.6
109.00475	0.5
109.74673	0.6
111.53212	0.6
112.60815	0.6
119.03466	0.6
119.95939	0.6
123.00928	1.2
123.04517	1.2
124.01682	0.9
125.02512	2.7
151.00410	1.1
155.54308	0.5
165.01970	0.8
165.05650	1.5
165.27473	0.5
169.01465	2.8
169.58986	0.6
177.82703	0.5
195.06619	0.6
211.02579	0.7
249.27814	0.5
271.04745	1.0
279.25366	0.6
416.59314	0.7
481.10062	0.7
584.25867	1.1
585.25519	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	584.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66573	0.2
61.98835	100.0
67.09988	0.2
69.09318	1.2
69.09717	0.5
98.21763	0.5
133.10509	0.2
169.01419	0.3
196.65811	0.2
207.74246	0.2
268.17746	0.2
284.32828	0.3
356.68628	0.3
490.14810	0.2
555.35272	0.2
585.25671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12016	1.5
59.01381	4.6
61.98838	8.9
69.18600	7.9
71.01410	1.7
98.21865	2.1
107.01385	3.3
123.00912	6.1
124.01670	13.3
125.02459	25.6
140.01151	1.9
146.82832	1.4
151.00406	2.6
168.00659	14.3
169.01440	41.4
179.43028	1.4
211.02490	59.0
241.03503	1.7
271.04602	100.0
272.05145	2.6
331.06714	33.3
332.06815	1.7
521.20319	65.4
522.20776	4.1
584.24615	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	584.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.9
59.01385	8.7
61.98835	56.9
69.31267	7.2
71.01373	4.1
78.52355	1.5
82.80921	1.7
85.02946	2.8
87.00866	5.8
88.98801	4.6
89.02450	2.7
107.01394	2.1
108.02171	4.7
113.02422	2.5
121.02946	2.8
122.03725	3.2
123.00902	5.0
123.04565	11.1
124.01684	3.1
124.04832	3.2
125.02437	7.8
139.11290	4.5
140.01167	1.6
145.02968	3.8
146.03795	2.0
149.02449	9.9
150.03232	58.7
151.00366	2.5
152.01125	7.6
153.01584	1.9
158.65199	1.9
161.02541	1.9
161.04512	3.7
162.03267	3.6
164.04745	4.9
165.05579	100.0
166.05905	2.7
168.00542	2.0
169.01410	13.4
177.05569	2.8
180.04279	2.2
183.10269	28.7
193.05074	2.9
195.04982	3.1
195.06636	36.8
211.02461	4.4
226.05852	1.7
270.08994	3.7
271.04514	5.2
309.09665	4.5
313.05353	2.2
327.10757	4.8
327.14322	2.9
411.98059	2.0
493.20596	6.2
521.20593	3.7
584.19977	16.2
585.25671	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25965	1.0
51.58273	1.1
54.32328	1.0
55.86056	1.0
57.03455	2.0
57.41648	1.2
59.01377	3.9
61.13889	1.3
69.03454	1.5
69.48204	1.1
69.48542	4.9
71.01382	4.9
73.02921	1.4
80.03341	1.1
81.03468	3.9
83.01401	5.0
84.29842	1.1
85.02946	4.2
93.03474	2.2
95.01408	5.4
95.05018	2.9
96.96034	2.5
97.02953	7.2
101.02440	3.0
107.01394	10.1
109.02985	10.2
111.00888	3.5
113.02469	1.5
119.05001	1.7
121.02966	3.6
122.03711	2.2
123.00903	16.9
123.04564	8.9
124.01677	14.3
125.02466	57.5
135.04523	4.6
137.02444	8.2
139.00383	2.8
139.04008	2.6
140.01143	5.0
143.03532	3.1
145.02963	2.5
147.04526	1.9
149.02454	7.4
149.06111	2.2
151.00383	12.3
151.03989	4.7
155.33199	1.1
159.04547	2.4
161.02435	4.2
161.06053	2.9
162.03220	1.3
163.00372	1.8
163.04050	2.7
164.01163	3.4
165.01938	6.6
165.05624	2.0
166.02652	3.5
167.03596	2.0
168.00719	7.7
169.01445	52.9
175.03978	3.8
176.01068	1.3
177.01949	3.2
177.05624	3.1
179.03510	4.6
181.05055	1.5
182.21425	1.3
187.04028	3.6
188.04802	2.1
189.02003	1.7
189.05539	1.5
191.03456	2.5
193.01407	13.5
193.05040	2.1
201.05586	1.5
203.03569	3.5
203.07193	4.2
205.01427	2.2
205.05064	8.8
211.02498	3.9
217.05077	2.9
221.04561	2.9
223.02495	4.0
229.05031	2.2
231.03094	1.3
233.04591	3.6
235.06154	4.4
245.08298	4.7
247.06114	1.3
251.05690	1.2
257.01193	1.2
289.07233	20.7
295.04633	31.7
300.99960	3.7
313.05765	2.6
367.08417	4.6
369.50970	1.2
379.08344	2.5
385.09390	4.3
397.09412	14.4
405.08353	2.4
415.10284	30.0
433.13687	44.7
523.13580	1.3
541.86816	1.3
585.14703	100.0
586.15161	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	585.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84883	1.1
58.60322	1.2
59.01376	1.9
67.25241	1.3
69.03440	1.3
71.01385	3.8
83.01357	1.3
85.02958	1.7
95.01390	2.5
98.22715	2.3
101.02415	1.3
107.01407	7.3
111.00892	1.9
115.00347	4.6
123.00902	16.0
124.01673	15.7
125.02464	35.9
133.01462	10.5
134.28481	1.2
135.04520	3.9
137.02417	1.4
139.00386	3.8
140.01099	1.4
140.65167	1.5
141.01907	2.6
151.00388	6.6
151.27487	1.2
166.99840	1.2
168.00752	7.7
169.01448	35.3
179.03484	3.2
203.07166	1.4
211.02509	3.0
244.64851	1.3
275.02042	1.5
278.78751	1.4
289.07095	1.8
295.04578	3.6
300.99982	2.5
313.05716	3.2
415.11826	4.9
433.13550	16.0
460.03928	1.6
585.14581	100.0
586.14789	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48430	0.3
53.90913	0.3
59.01376	1.8
67.01888	0.8
69.03448	1.1
69.58649	1.6
71.01379	1.5
71.04992	0.5
73.02944	0.8
79.01887	1.7
81.03463	0.9
82.00571	0.5
82.96833	0.3
83.01382	0.7
83.05003	0.7
85.02977	0.9
87.00877	0.4
87.27545	0.4
89.02425	0.4
95.01403	1.9
97.02981	1.8
97.67856	0.4
99.00864	0.6
99.60119	0.4
101.02464	1.2
107.01390	8.6
110.00141	0.4
111.00881	1.6
113.02465	0.6
119.07140	0.5
122.99993	0.7
123.00896	13.6
124.01683	15.1
125.02458	33.7
126.02832	0.6
127.00398	0.6
136.98784	1.2
139.00368	2.6
140.01186	2.4
141.01959	2.0
151.00403	8.1
153.01909	0.9
168.00664	6.4
169.01442	35.1
170.01735	0.5
175.03880	0.5
179.03561	0.9
193.05109	0.5
211.02469	1.1
223.02481	0.5
237.04018	0.5
243.15804	0.4
253.03612	0.5
271.04724	0.7
295.04736	0.7
313.05630	1.5
399.13156	0.5
415.12546	6.7
433.13544	28.8
434.13879	1.4
585.14673	100.0
586.14954	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	585.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.4
56.21982	0.5
57.88083	0.5
59.01370	1.7
67.01889	0.9
69.03448	1.3
70.08463	0.9
70.08827	0.9
71.01409	2.2
72.99306	0.6
73.02930	0.4
78.54832	0.5
79.01901	1.0
81.03446	1.3
82.00598	0.8
83.01405	0.7
85.02945	1.0
86.00098	0.6
87.00893	1.1
95.01376	3.1
96.96012	1.1
97.02956	1.6
99.00895	0.5
101.02428	1.3
102.20382	0.4
107.01401	8.5
109.02937	0.8
111.00912	2.4
113.02467	0.5
121.02969	0.8
123.00902	16.9
123.04532	0.5
124.01688	13.7
125.02464	39.4
126.02814	0.9
127.00360	0.8
136.98825	1.9
139.00391	3.7
140.01186	3.4
141.02007	2.7
149.02376	0.9
151.00389	8.3
151.04050	0.7
153.01930	1.3
161.02432	0.6
163.03946	0.6
165.01897	0.7
168.00668	7.0
169.01448	43.2
170.01759	1.2
173.02458	0.6
177.01982	0.8
181.01477	0.5
181.05090	0.6
189.01979	0.6
191.03490	0.6
193.01358	1.4
193.05174	0.7
211.02492	2.8
221.04204	0.5
237.03960	0.6
271.04642	1.3
271.08304	0.5
275.01956	1.3
289.07104	0.7
295.04587	1.7
297.06183	1.5
300.99954	2.1
302.00394	0.6
313.05746	3.5
314.00314	0.5
329.08954	0.4
373.28268	0.5
383.98657	0.5
415.12531	4.3
433.13577	16.3
452.00049	0.5
458.67752	0.5
501.10263	0.5
577.95532	0.5
585.14648	100.0
586.14923	5.9
592.11792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.215
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40812	3.8
69.41196	4.1
82.03003	10.1
96.04550	3.8
98.06113	6.6
127.05177	11.0
128.03549	45.6
130.56688	1.8
132.77176	1.7
145.06209	17.0
152.64236	1.9
163.08780	2.1
175.81676	2.2
196.80739	2.0
209.12836	2.1
239.48972	2.1
243.09863	100.0
273.90656	2.1
303.05756	2.6
328.80148	1.8
351.74655	2.6
388.97098	2.0
466.63757	2.2
585.14337	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	585.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	1.7
59.01368	2.4
59.96354	1.4
70.24918	4.5
71.01384	1.8
82.02987	16.0
83.01396	2.6
83.04990	2.0
84.04563	2.5
85.02968	2.2
86.06119	1.8
87.99426	1.4
93.17584	1.3
95.01381	1.9
96.04544	8.2
96.95998	3.1
97.02934	4.0
98.06129	7.6
101.02457	2.2
107.01408	8.5
107.05077	1.4
109.04105	2.8
123.00922	10.2
123.04488	1.6
123.88904	1.6
124.01685	14.2
125.02466	33.6
127.05131	11.4
128.03554	58.8
139.00314	2.3
140.01155	2.7
141.01973	2.5
145.06194	16.6
151.00372	6.5
153.01944	2.2
163.08757	3.1
168.00656	5.4
169.00023	1.7
169.01447	33.3
189.05350	1.6
211.02486	2.6
212.42223	1.5
213.08841	5.5
242.06717	16.1
243.07144	9.6
243.09846	100.0
244.10164	3.4
252.58829	1.5
313.05566	2.5
316.97485	1.6
399.61035	1.7
415.12286	5.7
433.13504	42.2
434.13455	1.8
454.58859	1.5
585.14679	83.6
586.14923	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	585.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20166	0.8
54.15863	0.7
54.25010	0.7
57.03421	0.8
58.00579	1.5
59.01383	45.5
61.98828	6.9
64.85137	0.8
68.70602	0.7
69.31959	2.6
69.32366	1.4
71.01028	1.1
71.01387	18.5
73.02940	2.0
75.89272	0.7
78.90850	0.7
81.03439	1.0
82.95403	2.7
83.01371	1.3
83.05051	1.0
83.45621	0.7
85.02940	2.0
89.02449	14.0
89.07188	0.7
89.27716	0.7
95.01368	2.5
97.02946	1.5
98.22638	1.7
99.04518	2.4
101.01813	0.8
101.02448	12.1
102.29803	0.9
107.01407	4.7
111.00878	0.9
113.01816	0.9
113.02455	8.3
115.04017	5.5
119.03515	6.0
123.00893	7.2
124.01669	10.5
125.02461	23.3
133.02957	1.4
137.02557	1.0
139.00392	1.5
140.01176	1.7
143.03561	1.1
151.00372	4.4
161.02454	4.1
161.04604	1.0
167.03371	0.8
168.00665	7.8
169.01440	33.1
179.05559	2.0
191.14473	3.5
208.65953	0.7
211.02492	39.5
212.02820	1.4
241.03577	0.7
253.14378	1.6
271.04608	57.8
272.04874	2.0
300.99744	1.4
313.05542	1.3
331.06705	9.5
412.37180	0.8
429.14075	4.0
433.20804	13.4
433.60086	0.8
549.23358	2.8
567.20605	5.8
585.21832	100.0
586.22076	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	585.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.8
61.98852	0.8
69.14169	4.1
82.79887	0.6
93.03478	3.7
107.01439	0.5
113.90607	0.5
121.02985	5.7
122.03759	15.8
123.00867	0.7
123.04560	0.6
124.01707	0.9
125.02460	1.5
126.22403	0.6
133.02974	1.9
135.04527	0.6
136.01707	0.7
147.04485	0.5
147.18370	0.6
149.02455	15.2
150.03241	93.9
151.03645	2.1
163.04042	0.8
164.04811	3.2
165.05580	100.0
166.05942	2.4
169.01427	1.7
175.04070	2.7
180.04280	5.4
189.05663	1.3
190.06381	3.3
191.07143	1.8
193.04967	0.6
195.06636	65.5
196.06973	1.7
205.08685	2.2
206.78549	0.6
208.07378	3.0
216.24472	0.8
222.08995	0.7
284.07150	0.7
325.10852	1.0
328.13071	0.7
329.10297	1.6
341.10074	1.7
344.12534	2.1
345.12869	0.8
359.15030	20.8
359.30569	0.6
360.15118	0.9
371.14932	4.3
507.20139	1.2
537.21082	4.2
585.25092	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	585.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45363	0.6
59.01397	3.1
59.64130	0.7
61.98833	6.7
71.01426	1.3
71.75935	0.7
80.79882	0.7
82.95464	1.2
89.81558	0.7
92.10817	0.7
93.03484	3.7
95.01398	1.0
95.05087	0.8
98.21891	1.5
99.04529	0.8
101.02436	0.9
105.03481	1.2
121.02981	6.1
121.11456	0.7
122.03759	16.5
123.00896	1.9
123.04581	0.9
124.01691	2.0
125.02451	2.8
125.16859	0.7
127.11196	0.8
133.02991	2.1
136.01694	1.6
139.71178	0.7
147.04512	0.8
148.07503	0.7
149.01263	1.8
149.02466	35.8
150.03250	97.4
151.00340	0.9
151.03671	1.7
160.01700	1.1
164.04840	7.5
165.05597	100.0
166.05884	1.2
169.01430	3.6
179.07182	1.6
180.04355	5.7
189.10484	0.8
195.06654	59.7
196.07079	1.4
211.02472	1.1
214.17442	0.7
242.09363	1.6
257.11816	1.3
270.08994	1.2
283.09729	1.1
285.11179	1.8
297.11105	0.8
298.08499	1.6
299.09256	2.1
299.12781	1.2
300.99924	2.9
311.09155	1.4
313.10788	1.1
314.07944	2.7
327.12411	5.3
328.13254	7.7
329.10269	5.5
330.11053	1.1
341.10287	5.9
343.15530	1.1
344.12820	6.0
345.13330	1.5
356.12564	3.0
359.14996	22.5
360.15579	0.9
371.14996	14.6
461.15836	2.1
492.17728	1.3
493.18637	0.8
507.20325	8.9
519.19360	1.1
519.69446	0.9
537.21362	47.0
538.21399	3.8
585.25092	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	585.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77001	0.4
57.03450	0.5
59.01088	0.5
59.01386	8.3
59.79249	0.4
61.98834	65.6
62.98535	1.3
63.99247	0.6
64.11504	0.5
67.01896	1.0
67.72026	0.4
69.03447	0.7
69.26875	2.3
71.01394	4.1
72.99327	1.1
75.00883	1.0
79.01893	1.0
81.03469	0.8
83.01378	0.9
85.02969	1.9
87.00889	0.6
88.98809	2.5
89.02442	1.4
93.03477	0.6
95.01417	1.5
95.75897	0.5
97.02981	1.3
101.02438	2.0
104.69897	0.4
105.01983	0.8
107.01397	6.5
107.70962	0.4
111.00922	2.6
111.04547	1.2
113.02431	1.0
123.00897	11.8
124.01666	10.1
124.02499	0.7
125.02460	26.2
127.00412	0.9
129.02007	0.7
132.47211	0.4
136.98837	1.4
137.02475	0.7
139.00432	2.7
139.04027	0.6
140.01152	2.1
141.01993	2.1
151.00374	8.2
151.04030	0.9
153.01988	1.1
153.05566	0.5
155.03513	1.1
165.01929	1.0
167.03600	0.8
168.00673	6.4
169.01443	39.2
170.01764	0.5
173.04565	0.6
177.04085	5.0
195.06641	0.6
211.02498	21.6
215.05643	1.0
241.03679	0.7
271.04608	22.7
300.99850	3.6
313.05765	1.5
329.05145	2.2
331.06689	0.7
349.01102	0.5
435.79596	0.4
439.08978	1.7
585.25665	100.0
586.25928	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	585.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01116	1.0
59.01386	9.7
61.98842	6.3
64.37498	0.7
67.01881	0.9
69.41596	3.4
71.01390	3.9
72.99297	1.1
75.00887	1.5
83.01405	1.1
85.02956	1.6
88.98808	1.5
89.02454	2.1
95.01402	2.3
97.02964	1.0
101.02425	2.1
107.01398	7.1
110.33694	0.7
111.00877	1.4
111.09449	0.7
113.02455	1.6
122.03748	1.5
123.00898	16.2
123.04527	0.9
124.01689	14.5
125.02470	30.4
126.02776	2.1
127.00398	0.9
134.03738	1.0
135.04459	0.7
136.98787	1.4
139.00394	3.7
140.01202	2.1
141.01945	2.3
149.02461	1.8
149.06068	1.9
150.03229	5.7
151.00392	11.2
165.05598	6.6
168.00635	9.8
169.01443	36.2
170.01787	2.7
177.04042	2.9
195.06584	4.5
211.02501	22.1
211.04526	1.0
212.02811	5.5
241.03511	1.0
262.06116	1.6
271.04617	29.0
272.04959	11.8
300.99951	2.6
313.05704	1.4
329.05008	1.0
331.06915	3.6
332.07126	4.3
338.06439	3.0
359.15045	2.0
513.19830	2.0
522.20752	14.3
523.20984	1.4
537.21246	2.2
585.25610	100.0
586.26331	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	585.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12341	0.6
55.29928	0.5
58.01204	0.6
59.01371	2.1
60.99022	1.0
60.99313	12.6
61.98835	3.3
62.34994	0.6
64.06759	0.5
65.27991	0.6
66.28202	0.6
71.43002	0.6
85.47610	0.6
87.00892	1.6
87.04488	0.7
88.98814	100.0
89.02455	12.5
94.54343	0.6
97.10128	0.7
97.55858	0.5
122.88303	0.6
123.00864	1.0
124.01753	1.0
125.02484	3.5
169.01462	3.8
181.05061	0.8
189.99644	0.6
217.85370	0.7
239.11031	0.7
300.99863	5.5
365.10532	0.7
433.04208	1.4
470.64551	0.7
495.30511	0.7
509.72995	0.7
525.30548	0.7
585.26410	4.8
592.60669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
59.01385	10.9
61.98834	41.9
69.03444	3.3
69.39008	6.7
70.02635	1.2
71.01355	5.1
72.99316	1.7
73.02942	4.4
75.00865	2.7
79.01891	1.7
82.95428	12.2
83.01366	1.8
85.02940	3.3
87.00812	1.8
87.04520	35.0
88.98775	4.4
89.02445	2.4
95.01363	3.5
97.02911	2.2
101.02424	4.4
101.06045	5.2
105.01877	2.5
107.01407	6.9
109.02868	1.3
111.00858	2.9
113.02435	2.4
115.03915	1.6
123.00888	16.6
124.01664	10.5
125.02461	26.6
137.02397	3.2
137.06052	1.8
139.00354	3.0
140.01099	2.8
141.01877	4.3
149.02464	2.0
150.03233	9.3
151.00398	11.4
151.04005	2.6
153.01920	2.8
153.09183	1.7
165.01855	4.4
165.05505	6.2
168.00584	7.5
169.01422	32.0
177.05574	2.5
178.02742	1.8
179.03419	2.2
180.04247	3.8
193.04939	2.1
195.06636	8.5
201.12744	1.7
211.02385	5.1
225.07651	1.9
229.12331	2.5
245.15480	3.3
271.04376	4.0
290.02243	1.7
296.05176	2.4
297.06091	2.1
299.16321	1.7
299.98996	5.3
300.99881	20.9
301.80133	1.5
302.00195	1.5
313.05154	1.8
317.17645	1.5
335.18411	3.4
341.10001	1.9
341.21005	1.9
359.14780	2.3
387.14227	4.4
388.15402	1.7
389.11871	1.4
423.23898	1.6
433.04163	14.7
433.20389	2.4
507.29062	3.6
525.30707	100.0
526.30621	5.5
537.20593	2.4
539.32001	2.9
585.05939	3.2
585.21631	87.7
586.22186	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	585.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83012	1.3
57.03457	1.8
59.01381	37.5
59.46689	1.2
62.48920	1.5
65.93391	1.1
71.01391	21.4
73.02939	6.2
75.00868	2.4
78.95910	22.1
83.01398	2.9
85.02963	7.4
87.00885	1.4
89.02465	10.9
95.01389	1.7
96.96967	24.7
98.93956	2.0
101.02453	12.0
111.08170	2.0
113.02463	5.7
113.92636	2.2
119.03566	2.5
125.02464	1.4
132.57918	1.3
152.99483	1.6
165.12849	16.5
183.13893	56.6
183.93703	1.4
195.13910	17.6
197.15512	7.8
207.13910	2.4
209.11893	3.7
213.14992	21.2
223.13557	1.6
227.12889	40.5
227.15053	2.2
231.94005	1.5
251.12822	3.3
265.14456	1.8
269.79272	1.3
293.14041	9.9
357.19263	6.8
371.17203	5.5
375.20236	33.8
379.81265	1.4
417.84769	1.6
487.34338	35.4
488.34955	2.8
507.63666	1.6
541.33789	8.1
567.31628	5.3
585.32941	100.0
586.33313	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	585.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.4
61.01827	0.7
64.40948	0.7
67.51114	0.6
69.05969	5.3
72.99313	3.4
75.00878	6.9
87.00868	0.8
98.21815	1.4
103.00407	0.7
103.01503	1.9
105.01947	100.0
121.33106	0.7
125.02463	1.0
134.03729	1.8
150.03326	0.7
151.00415	1.1
151.04027	0.9
158.01895	0.7
163.04018	2.2
164.04771	0.9
169.01433	1.6
178.02708	1.2
181.05081	1.3
182.12442	0.8
193.05046	5.2
207.06615	1.6
208.73985	0.7
211.06073	1.2
250.62262	0.7
277.43692	0.8
346.90790	0.7
374.63672	0.7
392.71045	0.8
399.59085	0.8
540.02795	0.7
585.26422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54515	0.4
59.01402	2.4
61.98838	6.0
65.39600	0.4
66.18616	0.5
67.01887	0.6
67.14659	0.4
69.43114	1.5
69.43513	0.8
71.01009	0.4
71.01386	1.6
73.02950	0.6
79.01882	1.1
83.01374	0.7
85.02950	1.1
87.00859	0.5
95.01402	1.4
97.02949	0.6
98.81985	0.5
101.02443	1.5
107.01395	1.9
107.97290	0.5
111.00847	0.5
113.02462	0.7
123.00911	11.4
124.01675	7.7
125.02465	11.9
139.00360	1.5
140.01189	0.9
141.01944	1.8
150.03201	0.6
151.00397	8.5
163.47426	0.5
165.05524	0.9
168.00650	2.1
169.01448	13.5
176.36006	0.5
209.15514	0.5
210.20978	0.5
211.02486	1.0
271.04611	1.0
313.05667	1.1
393.74323	0.5
523.21906	100.0
524.22192	7.6
532.68134	0.5
539.19757	0.6
586.25604	4.4
587.27307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06779	1.9
53.51284	1.7
59.01371	3.9
68.78715	1.5
70.56360	3.0
75.70627	1.4
81.88830	1.6
83.05030	3.0
100.41414	1.7
118.97675	1.5
130.88145	1.6
170.75688	1.6
171.10289	7.9
178.34946	1.4
181.88664	1.6
209.11841	100.0
227.12936	10.9
239.22424	2.1
249.39923	1.7
261.16422	1.6
269.12802	2.3
270.13297	2.3
291.19659	5.4
317.43021	1.6
362.45026	2.0
369.16135	1.9
449.25595	1.8
467.92474	1.9
475.26767	3.2
526.79535	1.9
586.27765	2.4
586.36542	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	587.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74734	0.7
59.01382	9.6
61.98510	0.8
61.98832	16.2
67.01889	0.7
69.03408	0.7
71.01379	5.3
72.99295	0.6
73.02956	1.6
79.01883	1.1
81.03467	1.5
83.01392	1.1
84.45058	0.6
84.95123	1.3
85.02942	1.9
89.02433	2.5
89.68575	0.7
95.01400	2.4
95.62307	0.7
96.96030	0.9
97.02966	1.2
99.00854	1.0
101.02450	2.9
107.01395	7.9
109.85683	0.7
111.00900	2.4
113.02460	1.6
115.04018	0.7
119.03510	0.9
121.02983	2.1
121.81545	0.7
123.00900	14.9
123.04497	0.8
124.01677	16.1
125.02461	40.0
126.02831	1.4
127.00365	1.2
135.04541	1.2
136.98798	1.1
137.02461	0.8
139.00435	3.8
140.01192	3.9
141.01956	2.6
151.00368	7.4
152.01183	0.7
153.02020	1.0
161.02458	2.7
165.01958	2.3
165.05591	0.8
166.99821	0.9
168.00658	9.6
169.01437	45.1
170.01784	2.6
171.01950	0.7
171.10301	2.2
196.85915	0.7
211.02420	6.0
212.02831	0.9
213.02908	1.0
258.54721	0.8
271.04691	6.1
272.04996	2.8
273.05151	2.7
292.84216	0.7
295.04602	0.7
297.06073	1.4
313.05688	2.7
417.11832	2.1
424.19226	1.0
435.13034	9.7
435.18756	0.8
435.21487	1.0
549.23627	1.4
569.21899	1.2
586.22638	2.0
587.14160	100.0
587.22687	13.4
588.14624	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	587.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
57.68777	0.4
59.01388	9.4
60.99315	0.4
61.98834	10.1
67.01891	0.7
68.99837	0.5
69.03452	0.9
71.01398	4.0
72.99316	0.4
73.02955	0.7
76.40954	0.4
79.01895	1.1
81.03450	0.5
82.00561	0.4
82.95457	0.4
83.01407	0.6
85.02957	1.6
86.00173	0.4
87.00899	0.6
88.98824	2.5
89.02455	2.0
90.98611	0.6
93.03474	0.5
95.01399	1.7
96.96046	2.1
97.02964	1.4
101.02452	2.1
106.00610	0.4
107.01401	10.9
107.05029	0.5
110.00117	0.5
111.00889	1.4
113.02491	2.1
116.92876	0.4
119.03520	0.9
121.02156	0.5
121.02972	1.7
122.03795	0.8
123.00896	14.0
123.04523	1.4
124.01680	7.4
125.02464	35.3
126.02823	0.4
127.00380	1.1
133.02986	1.5
134.38536	0.4
135.04543	2.6
136.98851	0.8
137.02415	0.7
139.00420	2.4
140.01169	2.7
141.01976	2.2
149.02499	3.4
150.03236	4.6
151.00397	10.3
153.01965	0.5
153.09216	0.4
157.05067	0.9
161.02480	6.1
161.04553	0.4
163.04083	0.7
164.04793	0.8
165.05577	9.6
166.06378	3.6
167.03519	1.3
168.00664	4.4
169.01447	45.8
170.01759	1.1
179.03529	1.9
181.05214	0.5
181.08763	2.0
195.06656	2.1
203.03485	0.7
211.02498	3.9
246.76761	0.5
253.03677	0.4
271.04568	4.3
273.07660	1.3
287.05850	0.4
300.99829	0.9
304.62592	0.4
313.05746	3.3
314.11426	1.0
329.13950	3.1
358.66953	0.6
389.25146	0.5
435.12991	100.0
436.13287	4.3
439.08524	0.9
549.23425	3.0
551.24371	1.2
586.25714	0.8
587.14087	17.7
587.26581	5.0
588.14728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25443	0.8
59.01376	2.3
67.01897	1.1
69.03440	1.0
69.40810	3.7
71.01344	0.7
73.08292	0.7
78.01108	0.8
81.03463	1.3
85.02980	1.1
89.02431	0.9
89.60944	0.7
95.01374	1.9
95.64026	0.7
97.02950	1.4
98.22663	1.2
101.02422	0.9
107.01403	7.1
111.00881	1.1
123.00907	12.3
124.01678	16.0
125.02464	31.1
136.98787	1.3
139.00375	2.8
139.04016	0.9
140.01152	2.2
141.01918	2.1
146.41260	0.8
151.00398	6.3
166.99808	0.8
168.00655	6.5
169.01434	34.6
170.01741	1.0
211.02594	1.6
271.04480	1.4
313.05615	0.8
342.83130	0.8
396.78580	0.7
417.11816	5.6
435.12897	13.4
494.14240	0.8
524.23602	0.7
587.14111	100.0
588.14282	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	587.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	32.1
61.98829	40.2
62.06134	6.1
69.19752	5.6
69.27218	24.1
71.01380	21.2
86.16907	5.7
89.02461	28.3
92.92754	6.0
92.97504	10.7
101.02450	9.8
103.00394	9.9
113.02534	7.4
119.03540	14.1
124.01719	9.8
125.02470	13.7
150.03249	24.3
151.03967	7.8
160.01683	8.1
161.04556	7.5
165.05638	32.0
169.01448	13.1
179.05611	9.9
195.06639	18.3
199.59325	7.0
216.51204	6.8
281.11624	7.4
285.11276	10.1
325.10895	8.5
326.08148	8.8
341.10327	46.8
356.12579	18.8
371.15045	100.0
394.78619	6.6
418.50488	7.5
483.18674	19.5
491.56531	7.6
587.23914	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	32.1
61.98829	40.2
62.06134	6.1
69.19752	5.6
69.27218	24.1
71.01380	21.2
86.16907	5.7
89.02461	28.3
92.92754	6.0
92.97504	10.7
101.02450	9.8
103.00394	9.9
113.02534	7.4
119.03540	14.1
124.01719	9.8
125.02470	13.7
150.03249	24.3
151.03967	7.8
160.01683	8.1
161.04556	7.5
165.05638	32.0
169.01448	13.1
179.05611	9.9
195.06639	18.3
199.59325	7.0
216.51204	6.8
281.11624	7.4
285.11276	10.1
325.10895	8.5
326.08148	8.8
341.10327	46.8
356.12579	18.8
371.15045	100.0
394.78619	6.6
418.50488	7.5
483.18674	19.5
491.56531	7.6
587.23914	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01385	31.3
61.98824	2.8
67.03499	0.6
71.01395	14.9
71.42456	0.7
72.99311	0.8
79.01896	0.7
80.02700	1.0
81.03453	1.9
83.01389	1.8
84.63299	0.8
85.02957	3.0
87.00919	1.2
87.41803	0.7
89.01949	0.9
89.02457	13.5
95.01376	2.2
97.02959	1.2
97.19143	0.7
99.04550	1.6
101.02463	11.7
103.36074	0.7
107.01409	5.3
111.00854	1.5
113.02480	5.2
115.04015	3.1
119.03506	5.8
123.00896	6.3
124.01668	7.5
125.02466	21.8
137.02440	0.8
139.00406	0.8
140.01158	1.6
141.01961	1.2
150.03217	0.9
151.00385	3.1
153.01927	0.9
161.04552	1.1
162.05661	1.1
165.02013	0.8
168.00658	7.7
169.01437	25.9
169.64243	0.7
175.14819	0.7
179.05692	0.8
181.12244	0.9
193.15987	4.8
211.02487	30.3
213.13959	1.3
237.14961	1.9
239.11920	1.3
271.04611	54.6
272.04843	0.8
313.05582	1.0
331.06738	10.0
344.45929	0.8
362.18677	2.9
380.19647	1.6
406.17743	1.9
424.18857	2.5
435.22229	14.4
533.18396	1.2
569.22003	5.3
587.23425	100.0
588.23932	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	587.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01382	20.8
61.98815	1.0
62.36847	0.5
62.90297	0.4
69.03457	0.9
70.73567	0.5
71.01383	9.7
72.99316	0.6
73.02956	0.7
78.01148	0.5
78.91888	0.5
79.02981	0.6
80.91696	0.5
81.03468	2.6
82.73158	0.4
83.01403	1.0
85.02953	2.2
89.02448	7.8
95.01376	2.0
96.24302	0.5
97.02948	1.5
99.00907	0.5
99.04517	1.5
101.02440	8.6
107.01395	5.7
111.00884	0.6
113.02464	4.0
115.03997	1.5
116.92861	0.8
119.03490	2.5
123.00882	5.8
124.01685	5.7
125.02456	44.5
126.99573	0.5
133.52167	0.5
135.04507	0.6
139.00337	0.9
139.03987	0.7
140.01173	1.0
141.01944	0.5
149.04521	0.5
151.00339	3.0
155.72568	0.4
167.03534	0.6
168.00642	2.7
169.01436	52.6
170.01756	0.6
171.10332	0.7
175.14990	0.6
179.03506	0.5
181.12358	0.7
193.15996	3.0
211.02518	4.7
237.14977	1.4
255.15952	0.7
271.04492	1.6
313.05627	1.4
331.06723	2.5
340.01355	0.5
435.22452	4.4
569.22314	2.0
587.23468	100.0
588.24036	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	587.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
58.00593	0.4
59.01383	19.8
61.98834	0.8
66.31480	0.3
69.03456	1.1
71.01389	9.9
71.42828	0.3
72.99290	0.3
73.02951	0.9
74.31049	0.3
79.01881	0.6
81.03459	3.0
83.01395	1.6
85.02516	0.3
85.02938	1.8
87.00878	0.5
89.02452	6.7
95.01401	1.3
97.02978	1.2
99.00905	0.4
99.04514	1.9
101.02448	7.5
103.41400	0.3
107.01398	5.3
111.00885	0.9
113.02448	3.9
115.04028	1.6
115.92017	0.3
116.92880	1.0
118.92676	0.5
119.03504	3.1
123.00890	5.4
124.01680	4.7
125.02457	43.7
126.02779	0.7
127.00369	0.4
135.04532	0.6
136.98828	0.5
137.02589	0.4
139.00339	0.9
139.03944	0.4
140.01167	1.1
141.01962	0.7
143.03487	0.4
149.04675	0.4
151.00386	3.2
153.12843	0.5
161.04622	0.4
163.11317	0.5
165.01965	0.5
166.99861	0.3
167.03517	0.8
168.00687	2.7
169.01434	53.2
170.01791	0.7
171.10286	1.0
175.14793	0.7
178.77472	0.3
179.03429	0.4
179.05667	0.6
181.48360	0.3
183.02972	0.6
193.01395	0.6
193.15965	2.6
197.11821	0.7
211.02458	3.6
237.14989	1.2
237.91803	0.3
241.66051	0.3
271.04517	1.6
273.16953	0.4
300.06891	0.3
313.05673	1.5
331.06738	3.2
332.06952	0.3
435.22418	3.3
539.72021	0.3
545.29700	0.5
569.22150	2.2
587.23474	100.0
588.23871	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	587.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02425	7.3
51.71546	7.2
59.01382	14.1
60.99304	16.4
61.98834	16.9
66.20193	8.5
70.50105	7.7
88.98820	88.3
123.00889	15.4
125.02454	37.5
149.26143	9.2
151.00327	14.0
169.01411	44.2
177.04019	8.2
181.04955	7.8
183.10161	7.7
251.80176	8.6
259.14328	8.4
371.09628	12.0
497.20288	100.0
533.65729	8.9
587.25891	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.1
55.25743	0.4
58.00592	1.1
59.01384	85.1
60.01730	0.7
61.98833	0.5
66.82872	0.4
67.34976	0.4
68.02548	8.0
69.03461	2.9
71.01387	59.3
72.01730	0.5
72.99325	1.3
73.02953	22.0
75.00873	1.4
81.03462	1.5
82.04086	0.6
83.01388	2.1
85.02963	4.6
87.00890	1.5
89.02451	100.0
90.02760	0.9
95.01395	0.5
97.02955	4.7
97.56575	0.5
99.00889	31.2
99.04516	1.4
101.02451	35.0
106.99666	0.4
107.01358	0.6
111.00897	0.7
113.02454	9.2
115.04025	3.1
119.03532	4.4
122.73483	0.5
123.00891	1.0
124.07678	0.7
125.02459	18.5
126.95943	0.5
126.99587	20.9
127.03898	0.6
131.03520	19.4
143.03528	2.4
149.04568	56.4
150.04871	0.6
161.04568	4.5
166.08543	0.8
166.09866	9.5
169.01491	2.2
173.04558	0.5
179.05588	1.2
191.03947	0.8
191.05644	15.5
191.07289	0.6
211.02567	1.0
220.69800	0.4
221.06621	1.8
233.04309	0.6
233.06657	11.8
251.07722	3.1
271.04645	1.2
272.04880	1.2
293.08795	17.7
378.30859	0.5
506.66965	0.5
588.22784	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	588.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83958	0.8
59.01379	2.8
61.98841	18.6
62.37204	1.0
69.67010	4.1
70.34067	1.0
71.01376	1.9
73.02967	1.1
79.01917	1.3
80.73139	0.9
83.01360	1.0
85.02950	1.8
86.91149	0.8
87.52419	0.9
95.01412	2.0
101.02454	2.3
107.01398	2.6
123.00907	12.7
124.01675	8.1
125.02462	12.1
136.01666	1.2
139.00420	2.0
140.01189	1.5
141.01959	1.5
150.03229	4.2
151.00363	10.0
151.02237	1.0
151.03867	2.1
165.05528	2.9
166.05931	1.1
168.00627	4.0
169.00133	1.8
169.01443	16.3
178.99858	2.2
181.04951	1.2
182.02138	1.0
195.06689	4.5
196.06911	0.9
197.04552	2.7
343.11789	1.1
358.14023	1.0
409.05389	1.8
420.23434	1.1
426.12247	1.1
525.23438	100.0
526.23334	5.0
589.12109	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	588.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01332	0.4
61.98834	100.0
65.50352	0.5
69.14614	0.9
69.15015	2.9
70.42147	0.5
91.03207	0.5
95.89526	0.5
138.50488	0.5
175.14856	0.5
209.92299	0.4
293.21283	0.6
505.10785	0.6
510.52136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	73.6
61.98839	72.9
70.94547	31.3
71.01364	39.4
96.96050	63.4
96.96949	36.4
125.02469	46.0
235.01404	38.9
282.37292	37.7
328.77426	31.8
415.50797	32.5
417.44028	38.2
589.27313	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	590.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33123	0.9
57.85170	1.1
61.98830	6.0
70.09445	1.7
70.09801	2.2
71.01393	3.1
73.00123	1.0
77.83845	0.9
82.00565	0.9
82.13386	1.0
85.02961	1.0
93.31506	0.9
107.01415	3.2
109.02972	1.5
111.00944	1.0
112.12869	0.9
120.11279	1.0
122.03764	1.2
123.00900	10.0
124.01690	13.3
125.02460	27.4
127.44099	0.9
137.02444	1.1
139.00351	3.2
140.01173	2.7
141.01984	1.4
145.02965	1.0
149.02486	2.2
150.03242	14.2
151.00395	7.7
151.04041	2.1
164.04871	1.1
165.05563	7.8
168.00638	7.3
169.01448	44.1
183.03018	3.8
195.06703	1.2
210.01793	1.2
211.02454	4.8
225.04018	4.4
271.04575	3.2
275.02029	1.3
285.06305	4.7
297.06052	1.1
313.05695	16.5
327.07111	1.6
342.74307	1.0
343.79083	0.9
385.07663	4.1
444.23468	1.0
479.12024	31.5
480.12189	1.6
509.13089	5.6
527.14117	100.0
528.14465	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	590.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60165	0.1
56.99953	0.2
60.71353	0.2
61.98833	100.0
69.83476	0.3
69.83833	0.3
71.76349	0.1
79.82504	0.1
99.92901	0.2
110.14027	0.1
123.70413	0.1
131.25716	0.2
169.20567	0.2
387.27679	0.2
472.06750	0.2
590.28357	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	591.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01388	7.7
61.98832	2.8
69.22209	1.0
69.22617	2.3
70.79052	0.5
71.01391	6.3
73.02946	1.3
79.95745	7.3
83.01394	1.1
85.02950	2.8
87.00880	1.0
88.98811	0.5
89.02463	2.8
95.01404	2.1
96.96021	100.0
97.02968	0.8
101.02440	2.6
107.01398	2.3
107.05028	0.5
109.02881	0.6
110.97572	0.6
111.00916	0.9
113.02433	3.7
117.31971	0.5
118.83559	0.5
119.03474	0.6
121.02966	0.7
123.00899	7.7
123.04535	0.7
124.01678	5.3
125.02471	8.3
133.03017	0.6
134.03731	0.5
135.04547	3.2
136.07640	0.6
136.98846	0.7
137.02441	0.9
138.09273	2.0
139.00383	2.0
139.04019	1.2
140.01186	1.4
141.01939	1.0
143.03542	0.5
146.03789	0.6
148.04021	0.9
151.00323	1.3
153.01897	0.6
161.04695	1.1
161.07224	1.0
166.99878	2.8
168.00653	3.1
169.01436	8.1
171.10274	4.2
173.07178	0.6
179.03517	1.3
179.07193	0.7
183.03035	3.7
195.03087	0.7
197.48056	0.6
201.11365	4.2
209.11858	0.7
215.08180	3.4
233.09402	0.9
241.09732	2.5
269.08182	0.8
273.00351	0.5
282.08990	0.9
300.09970	0.7
300.99841	0.6
314.11588	1.0
315.12405	3.9
327.12332	1.5
367.16653	0.8
375.10754	1.9
380.19785	1.5
398.20822	0.7
410.20578	0.9
428.21579	1.1
429.17935	0.7
439.10675	17.2
448.12042	1.1
451.10242	1.9
463.10333	0.7
466.12860	5.1
478.12646	5.0
481.15088	23.3
482.15283	1.5
493.15088	9.5
511.16132	12.2
512.16241	0.7
531.28186	1.3
535.32800	0.7
561.27313	0.8
573.34644	0.8
591.11798	69.6
591.26843	1.8
591.35431	1.9
592.11981	5.2
608.89001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98231	0.8
59.01178	0.7
59.01383	7.4
61.98836	2.9
66.05693	0.7
69.03468	2.7
69.27245	2.6
69.27654	2.7
71.01382	4.9
73.02943	1.5
78.95908	19.3
79.01910	0.9
80.91650	0.8
81.03458	1.1
82.00626	0.9
83.01388	1.3
83.05042	1.3
85.02944	2.4
87.00854	1.5
88.98832	1.1
89.02449	3.6
95.01399	2.9
96.96951	1.6
98.21844	1.7
101.02440	3.4
104.07402	0.8
105.07879	0.8
107.01408	11.4
108.04543	0.8
111.00901	3.5
113.02457	2.6
120.04575	4.4
123.00900	12.5
123.04393	0.9
124.01663	13.4
125.02459	48.2
135.04556	4.3
136.07697	1.7
136.98804	1.5
137.02383	1.2
138.05626	1.0
139.00381	2.9
139.03966	0.9
140.01169	3.5
141.01933	2.4
147.03284	1.1
148.04056	62.4
149.04619	1.0
150.05576	1.3
150.09259	1.9
151.00403	8.6
152.99606	10.8
153.01886	1.4
160.04066	2.2
161.04750	1.8
162.05615	19.4
163.11232	1.6
168.00674	9.2
169.01442	50.7
170.01804	1.3
172.07697	1.7
174.05602	1.2
175.07607	1.2
176.07147	1.1
179.03436	1.5
188.07036	1.0
203.05891	0.9
209.11835	17.0
211.02480	6.9
216.06664	6.6
217.07454	9.0
218.08231	28.7
227.12920	2.3
262.07227	2.9
267.02945	0.9
271.04620	6.5
313.05746	1.4
332.61136	0.9
334.19611	1.2
346.19296	2.4
349.15173	1.1
363.12173	8.7
367.16644	65.0
368.16867	1.8
381.13174	1.7
408.19370	2.4
411.15564	2.1
426.20425	1.5
439.16104	30.9
440.16623	2.0
507.49384	1.0
591.17242	100.0
591.26093	12.3
592.17352	8.3
592.25775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98231	0.8
59.01178	0.7
59.01383	7.4
61.98836	2.9
66.05693	0.7
69.03468	2.7
69.27245	2.6
69.27654	2.7
71.01382	4.9
73.02943	1.5
78.95908	19.3
79.01910	0.9
80.91650	0.8
81.03458	1.1
82.00626	0.9
83.01388	1.3
83.05042	1.3
85.02944	2.4
87.00854	1.5
88.98832	1.1
89.02449	3.6
95.01399	2.9
96.96951	1.6
98.21844	1.7
101.02440	3.4
104.07402	0.8
105.07879	0.8
107.01408	11.4
108.04543	0.8
111.00901	3.5
113.02457	2.6
120.04575	4.4
123.00900	12.5
123.04393	0.9
124.01663	13.4
125.02459	48.2
135.04556	4.3
136.07697	1.7
136.98804	1.5
137.02383	1.2
138.05626	1.0
139.00381	2.9
139.03966	0.9
140.01169	3.5
141.01933	2.4
147.03284	1.1
148.04056	62.4
149.04619	1.0
150.05576	1.3
150.09259	1.9
151.00403	8.6
152.99606	10.8
153.01886	1.4
160.04066	2.2
161.04750	1.8
162.05615	19.4
163.11232	1.6
168.00674	9.2
169.01442	50.7
170.01804	1.3
172.07697	1.7
174.05602	1.2
175.07607	1.2
176.07147	1.1
179.03436	1.5
188.07036	1.0
203.05891	0.9
209.11835	17.0
211.02480	6.9
216.06664	6.6
217.07454	9.0
218.08231	28.7
227.12920	2.3
262.07227	2.9
267.02945	0.9
271.04620	6.5
313.05746	1.4
332.61136	0.9
334.19611	1.2
346.19296	2.4
349.15173	1.1
363.12173	8.7
367.16644	65.0
368.16867	1.8
381.13174	1.7
408.19370	2.4
411.15564	2.1
426.20425	1.5
439.16104	30.9
440.16623	2.0
507.49384	1.0
591.17242	100.0
591.26093	12.3
592.17352	8.3
592.25775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.7
59.35566	1.6
60.99316	12.6
65.24094	1.8
69.05022	4.3
69.05425	8.4
71.01392	9.2
73.02918	1.6
77.03362	1.9
83.01390	3.1
85.02979	2.0
88.98812	76.7
89.02460	7.2
93.03465	2.9
95.01410	2.3
96.96024	4.2
99.04530	1.9
101.02448	7.4
107.01408	3.1
113.02425	4.1
119.03536	3.5
123.00893	13.9
124.01689	5.7
125.02457	18.2
130.25940	1.9
139.00407	2.4
141.01987	2.7
151.00398	9.6
160.87325	1.7
161.04575	2.4
161.13367	3.6
168.00690	4.3
169.01439	24.5
179.05690	2.0
187.11293	8.0
205.12427	4.9
211.02490	4.2
229.12315	3.2
247.13644	2.2
249.11346	6.9
271.04761	5.4
313.05746	3.1
425.10660	2.8
429.17627	5.8
451.08771	2.9
501.19839	100.0
502.20190	3.9
531.20697	4.5
591.23547	3.5
594.33704	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	591.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77993	1.1
59.01371	2.1
61.98833	1.5
71.01373	1.2
71.44339	1.1
85.02969	1.3
93.03458	1.2
96.96004	10.9
96.96956	1.5
109.02964	2.3
113.02398	1.1
119.27051	1.1
121.02962	4.3
122.03741	2.5
123.00902	2.5
125.02444	3.0
136.01669	36.3
137.02470	4.9
142.99274	1.1
151.00374	14.0
151.04022	45.3
153.01930	1.4
155.86229	1.1
163.04037	1.4
166.02718	38.2
167.03452	2.0
168.34280	1.0
169.01424	2.8
175.04091	1.3
177.01881	2.3
178.99881	1.4
181.05078	42.8
213.16708	1.0
267.16022	1.5
284.12460	1.4
357.09781	9.2
362.18600	2.5
372.12106	6.0
387.14508	100.0
388.14874	5.0
535.76837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25996	1.4
52.48650	1.2
57.03467	1.9
59.01373	1.7
64.83542	1.3
69.03469	7.1
69.34750	6.8
71.01377	2.8
75.06021	1.2
75.84370	1.4
81.69807	1.2
96.96021	16.8
97.06580	1.7
98.22650	2.8
109.06580	1.7
111.08105	1.5
118.02637	1.3
123.08141	2.4
125.09771	4.0
151.11282	5.3
161.09756	7.3
179.10797	29.5
195.13939	5.9
197.11842	85.2
198.12123	1.8
207.10294	1.9
209.11852	2.5
219.57664	1.4
223.09821	5.2
223.13441	5.7
225.11313	3.3
241.10872	12.3
271.92706	1.4
275.20096	2.5
284.22327	1.3
291.19565	1.4
293.21265	35.1
295.77319	1.4
297.13492	6.1
309.20572	2.2
315.14468	16.9
341.03577	1.5
591.35504	100.0
592.36078	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	592.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
59.61239	0.3
61.98833	0.5
65.00335	0.3
66.74484	0.3
69.03465	0.4
71.01389	0.9
78.01140	0.8
79.01917	0.3
83.44827	0.2
85.63893	0.2
95.01395	0.5
104.05099	0.3
107.01401	27.5
110.00088	0.4
111.00892	1.4
118.06664	0.4
120.09136	0.3
123.00900	1.1
124.00754	0.3
124.01675	10.0
125.02459	49.7
126.02805	0.8
127.00395	0.3
136.98822	0.8
137.02449	1.0
137.03809	0.3
139.00392	1.5
140.01183	2.5
146.48962	0.3
147.04562	0.3
148.40733	0.3
156.04587	0.5
158.06131	0.6
168.00677	1.5
169.01439	100.0
170.01767	1.7
174.05545	0.3
175.03955	1.2
184.04050	0.7
187.02777	0.5
202.05125	4.2
246.04117	3.3
272.26062	0.3
320.08871	0.3
344.97348	0.3
382.11566	0.7
408.09879	0.3
426.10495	3.5
570.99005	0.3
592.20422	24.2
593.20813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
65.93092	0.4
71.22336	0.3
71.42176	0.5
78.95935	0.4
79.35824	0.4
80.68921	0.4
80.91660	0.4
80.96545	1.3
89.95365	0.4
102.99020	0.4
201.53401	0.4
209.11983	0.9
256.34152	0.4
540.18274	0.4
577.16547	0.5
593.26306	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	592.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
59.81714	0.2
61.98836	100.0
69.03449	0.2
69.30293	1.3
76.25336	0.2
80.69003	0.3
86.07959	0.2
93.53867	0.2
101.02502	0.3
107.01411	0.6
120.14221	0.2
123.00890	0.5
124.01752	0.2
125.02450	1.2
161.04492	0.2
169.01430	1.3
252.94597	0.2
334.86792	0.3
441.17929	1.0
473.39529	0.2
593.18781	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	593.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27972	0.2
59.01375	1.2
61.98833	6.9
63.45965	0.2
66.71668	0.2
69.69497	0.5
69.69831	0.2
71.01396	0.6
76.03202	0.2
77.03976	0.3
85.02952	0.4
89.02441	0.7
91.01890	0.2
95.01428	0.2
101.02449	0.3
112.13255	0.2
113.02477	0.2
120.02179	3.5
120.03004	0.3
121.02964	100.0
122.03310	1.6
126.99570	3.0
128.99283	3.0
129.33577	0.2
157.97498	0.2
161.04562	0.3
165.01935	4.1
180.05836	0.6
181.06599	2.7
197.06094	2.1
199.07339	0.2
207.04497	1.0
207.08107	0.2
209.04558	53.2
210.04932	1.1
211.05399	0.3
223.04012	0.4
225.05540	1.5
226.06381	0.2
251.07124	0.3
257.09695	0.6
285.09146	0.3
295.06201	0.2
313.07205	1.8
357.06152	1.0
374.09930	0.2
383.07730	1.1
401.09058	0.4
417.09784	1.0
476.21219	0.2
487.88251	0.2
505.11456	2.9
549.10419	5.9
549.18597	0.3
550.10577	0.3
593.13000	8.7
593.27411	0.3
594.13403	0.6
610.57031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85551	2.2
57.03461	13.9
59.27942	2.2
68.26958	2.0
69.95394	2.6
69.95735	5.4
76.07979	2.1
81.03490	2.1
93.03461	3.7
96.96033	4.1
97.02963	3.4
109.02966	17.8
112.90544	2.0
121.02962	8.1
123.00903	3.4
123.04535	14.8
125.02458	100.0
135.04526	2.3
137.02452	22.1
139.04021	5.4
149.02441	9.4
151.03996	10.7
159.04572	2.8
161.02425	5.6
162.03209	2.3
163.04077	2.3
164.01164	6.9
165.01933	5.5
167.03487	4.6
175.03970	10.7
177.01949	84.5
177.03508	4.3
179.03519	5.8
187.04016	8.1
188.04807	4.9
203.03610	3.4
203.07201	4.4
205.05055	6.4
215.03627	2.8
217.05229	3.9
227.07036	2.6
229.05125	4.2
243.03152	2.9
243.06558	2.6
245.08104	11.4
248.03700	2.1
255.02989	11.8
256.03748	7.9
257.04721	4.6
269.04468	2.7
273.04129	5.7
281.01123	2.2
281.04617	3.9
285.03946	3.8
289.07224	57.4
297.03928	4.3
303.05090	7.7
305.06677	14.7
316.24695	2.4
336.71021	2.3
407.07770	74.9
408.08188	3.6
408.56839	2.3
423.07208	12.4
425.08768	30.6
439.35007	2.8
467.09985	6.7
593.12799	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	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
62.13034	0.9
69.84680	1.8
93.03469	1.7
117.03471	5.1
119.05003	1.1
135.04536	4.1
137.23503	0.9
161.02480	2.5
163.04092	2.6
175.04062	2.1
177.01982	1.0
177.05544	1.7
189.05565	1.6
191.03525	2.2
203.03488	1.6
205.05135	1.1
233.04306	1.1
253.08589	1.2
267.06760	1.3
281.04425	1.3
282.05386	2.2
283.06046	4.0
295.06073	4.8
296.06982	4.7
297.07721	25.7
300.77521	1.2
307.06128	2.3
309.07700	2.4
311.05585	3.5
323.05673	3.4
324.06387	2.6
325.07162	12.2
328.05753	2.4
335.05450	2.8
335.09778	0.9
337.07153	3.4
351.04868	1.3
353.06686	55.6
354.07175	1.3
355.08206	1.5
365.06738	5.7
381.44525	1.0
383.07779	30.5
395.07742	2.9
413.08829	2.0
425.09024	1.7
473.11023	14.8
503.12003	4.2
536.47296	1.1
549.57935	1.0
575.14191	2.0
593.15186	100.0
594.15369	7.0
604.51563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
57.21917	0.7
58.62241	0.7
59.01384	23.3
59.13165	0.7
61.98824	1.7
67.01879	1.3
67.21705	0.8
69.03430	1.1
71.01386	11.3
71.01755	1.5
73.02942	0.9
76.56792	0.8
78.01070	0.8
81.03458	0.9
82.95402	2.4
83.01394	1.2
85.02952	2.8
87.00874	0.8
89.02452	8.9
95.01408	2.4
96.96003	1.0
97.02932	1.1
100.47317	0.7
101.02453	7.2
107.01414	6.6
109.02952	1.9
111.00880	3.0
113.02431	4.1
119.03506	3.7
123.00892	13.4
124.01678	15.9
125.02467	29.2
133.06560	3.0
136.98830	1.6
137.06055	1.1
139.00401	4.0
139.01305	0.8
139.07664	2.0
140.01164	3.9
141.01950	2.7
151.00374	6.5
161.04501	0.9
167.03552	1.4
168.00648	13.8
169.01443	43.7
179.03604	0.8
183.03024	1.2
205.12384	2.1
211.02502	44.4
212.02942	1.1
217.12358	1.6
235.13554	0.9
241.03477	1.2
271.04617	50.7
313.05634	2.0
324.08005	0.8
330.13318	1.4
331.06744	5.8
334.90015	0.8
385.11404	1.6
397.18564	2.1
441.17722	14.6
482.14349	15.4
483.15073	7.9
549.19824	15.4
575.17700	3.3
593.18799	100.0
594.19098	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	593.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.15263	0.3
57.38444	0.3
59.01387	3.6
61.98833	22.7
65.00311	0.3
67.01888	1.2
69.03445	0.9
69.18370	0.7
69.18770	1.6
70.72400	0.3
71.01393	2.8
72.99306	0.3
73.02936	0.9
79.01891	1.0
81.03471	1.3
81.66716	0.3
82.00597	0.5
83.01374	0.9
85.02951	1.4
86.00137	0.4
87.00882	0.7
89.02453	1.0
95.01403	2.1
97.02967	1.6
99.00892	0.6
101.02455	2.5
107.01400	11.2
111.00905	2.3
113.02458	1.1
123.00900	15.1
124.00726	0.5
124.01671	14.5
125.02459	40.4
126.02803	0.4
127.00370	0.7
135.04523	0.6
136.98813	1.5
137.02446	0.4
139.00372	3.9
140.01170	4.0
141.01945	2.6
151.00381	10.3
153.01939	1.0
154.28143	0.3
154.99892	0.6
161.04607	0.5
161.47437	0.5
163.03951	0.6
165.01830	0.4
168.00647	6.3
169.01437	45.5
170.01730	0.7
179.03528	0.5
181.04945	0.7
182.02159	0.3
193.01338	0.4
193.05205	0.5
207.02994	0.5
209.04510	0.5
211.02579	0.6
223.02402	0.4
235.11856	0.8
253.03560	0.6
271.04758	0.5
295.04489	0.4
300.50354	0.4
313.05722	1.9
357.26492	0.8
375.27545	3.2
423.16776	0.9
441.17661	38.8
442.17889	1.2
580.33282	0.4
580.55365	0.4
593.18799	100.0
594.19110	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	593.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85459	1.4
59.01379	6.7
61.98826	5.0
70.69157	1.9
71.01376	6.4
78.95898	1.7
81.03434	1.8
89.02453	4.5
97.02896	1.7
101.02443	3.7
104.79624	1.7
107.01402	5.3
119.03549	1.9
123.00872	11.4
124.01693	9.8
125.01553	1.6
125.02469	28.4
136.40491	1.5
140.01102	1.8
151.00369	6.6
168.00665	6.8
169.01453	32.2
188.36296	1.6
258.01770	1.6
423.16644	3.9
441.17709	10.2
443.66553	1.9
593.18842	100.0
594.19019	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	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58447	0.7
59.91569	0.7
62.61673	0.6
66.55181	0.6
70.27416	0.7
70.47820	0.9
71.01399	0.7
77.02251	0.6
78.95909	65.8
91.27814	0.7
96.96969	12.0
150.98062	1.0
152.99600	100.0
154.00012	0.7
171.00693	1.6
171.10257	0.8
197.11826	1.0
209.11838	10.1
223.00143	9.1
241.01219	23.1
259.02310	2.1
264.62820	0.7
277.21753	48.0
278.21960	1.6
292.15518	0.7
309.20676	2.7
312.76096	0.7
315.04904	18.5
333.06137	1.7
427.56482	0.7
436.54007	0.7
442.02963	0.8
575.71692	0.8
593.27350	79.2
594.27863	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	593.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
55.93686	2.4
57.03449	5.7
59.01085	3.0
59.01387	51.0
61.95081	2.3
71.01389	55.2
73.02956	17.7
78.95926	3.6
83.01395	9.2
85.02953	18.7
89.02460	22.6
95.01413	6.1
96.96020	38.9
96.96985	3.4
97.02994	2.7
99.00904	5.5
99.04536	5.5
101.02459	45.0
112.13016	2.1
113.02474	21.4
119.03519	7.1
123.00852	2.8
125.02490	9.6
126.41610	2.1
143.03497	3.3
152.87737	2.1
159.02995	5.1
161.04558	15.5
169.01396	5.3
179.05547	6.2
193.99265	2.5
240.39412	2.5
249.11386	3.5
250.11688	2.4
251.12846	9.4
284.03223	2.4
359.15375	3.5
371.20755	36.4
372.21017	2.8
430.18161	3.5
431.19171	13.7
474.46860	2.3
487.05707	2.3
533.26160	100.0
534.26495	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70015	3.9
60.59727	3.7
61.98835	89.6
71.01383	4.4
79.95748	5.7
80.91689	24.6
80.96512	10.4
81.10051	3.0
83.05017	5.1
87.28089	3.1
96.52054	2.7
97.02922	4.7
97.77447	2.7
101.02414	3.8
109.06570	5.6
115.92033	3.5
116.92869	6.9
121.02975	53.6
163.11200	5.9
164.98735	3.9
165.01933	46.6
203.47575	3.1
209.11838	100.0
223.13431	14.8
225.11174	4.2
357.20642	9.7
375.21939	4.0
413.23538	4.4
549.27100	7.4
593.26166	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01295	1.8
78.91900	21.2
81.03456	2.3
83.05034	3.4
97.06611	2.3
98.22598	5.5
117.90762	1.8
125.09724	2.4
163.11353	4.9
165.12863	3.6
167.14354	2.7
168.68745	1.9
169.51051	1.9
171.10303	6.4
181.12387	5.6
195.13739	2.4
197.11746	3.2
207.10320	4.1
209.11847	100.0
211.13448	3.6
217.15390	1.9
221.15489	4.3
225.11316	6.4
227.12921	15.2
243.12473	3.2
247.20695	3.0
291.19662	26.2
293.21066	4.4
309.17117	2.5
309.20715	51.5
311.22073	2.1
347.22144	2.5
372.14545	2.2
557.35156	3.0
575.35699	4.1
593.36981	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	594.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01385	0.4
61.98836	3.5
63.02409	0.5
65.00314	0.5
66.52020	0.2
69.03468	0.4
71.01390	0.7
78.01110	0.3
82.00616	0.2
83.01396	0.8
83.59149	0.2
94.02997	0.3
95.01397	0.6
97.02956	0.4
101.02468	0.2
104.05082	0.6
106.00591	0.3
107.01402	24.8
108.01715	0.3
109.02946	0.4
110.00114	0.2
111.00913	1.3
123.00916	0.8
124.01681	7.0
125.02460	45.5
126.02792	0.8
127.00380	0.4
130.06639	0.4
136.98807	0.9
137.02446	1.2
138.61418	0.2
139.00378	1.6
140.01180	2.0
142.02811	0.2
147.04584	0.7
151.00357	2.7
153.01953	1.0
156.04570	0.6
158.06195	0.5
167.03548	0.2
168.00702	1.4
169.01442	100.0
170.01791	1.5
175.04002	1.7
177.01833	0.2
178.99883	3.2
181.01437	2.1
184.04114	0.8
185.11887	0.9
187.02704	0.5
191.03514	0.5
193.01474	0.8
199.13435	0.3
202.05121	3.8
203.03563	1.0
219.02998	5.0
221.04651	0.7
221.85587	0.2
231.02951	0.3
246.04059	3.4
275.02069	0.7
291.34723	0.2
297.04022	0.4
327.05206	0.4
339.05170	0.7
355.04715	0.4
371.04443	0.3
371.09286	0.2
383.04080	0.8
401.05167	0.9
408.09348	0.5
426.10406	0.8
503.06497	0.3
514.75812	0.2
594.21991	21.3
595.07422	3.0
595.21704	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	594.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98836	100.0
63.74826	0.5
71.01398	1.4
80.21448	0.4
89.02454	1.2
100.23285	0.5
101.02466	0.9
113.02451	1.1
114.81339	0.5
132.57733	0.5
169.01440	0.7
183.10245	0.9
314.53864	0.5
357.13425	0.5
530.60846	0.5
563.24249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01395	0.5
59.01383	2.9
61.98835	100.0
62.22035	0.6
67.81915	0.6
69.18505	2.7
71.01382	3.3
72.62439	0.5
73.02934	0.7
85.02981	0.7
89.02445	2.8
101.02483	1.1
103.13986	0.5
107.01375	0.6
113.02475	1.8
134.83237	0.5
166.29707	0.5
169.01450	2.1
171.01927	0.8
308.34039	0.5
367.57773	0.6
442.17941	0.9
473.29608	0.6
593.37469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98837	100.0
69.12080	2.4
71.01388	1.3
71.97588	0.4
72.85199	0.4
85.02985	1.2
89.02473	0.5
101.02489	0.7
113.02477	1.0
125.02454	0.4
128.13123	0.4
146.67496	0.4
151.00459	0.6
168.00591	0.4
169.01392	0.7
178.02780	0.4
193.04945	0.5
371.11298	0.4
594.37463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82496	1.2
59.01361	4.0
71.01363	3.0
71.42731	1.2
76.14368	1.2
82.96047	1.2
87.00846	1.5
89.02432	1.4
95.01390	2.0
96.96011	2.9
98.42348	1.3
101.02409	2.0
101.33140	1.2
105.07700	1.2
107.01335	2.4
118.70457	1.2
119.04998	3.5
123.00832	4.7
124.01658	1.6
125.02442	11.2
134.14665	1.3
135.02986	2.2
135.04486	1.6
137.02374	1.6
145.02847	1.9
151.00317	2.3
161.02390	2.5
163.03976	4.6
168.00520	1.1
169.01436	13.9
173.02338	1.8
175.03984	1.7
177.01855	1.4
179.03441	1.8
189.01833	2.0
190.02603	4.1
191.03337	1.2
199.00264	1.3
200.01054	1.5
201.01837	3.1
203.03325	2.3
216.00624	1.8
217.01402	2.4
218.02130	2.8
227.03432	1.3
228.00630	1.5
229.01344	4.1
230.02071	2.0
231.03008	1.4
242.99223	3.5
243.99997	1.7
245.00978	7.0
246.01535	1.7
247.02266	1.8
248.03133	5.1
249.03764	2.3
257.00879	3.2
258.01593	1.4
270.98853	32.4
271.99335	2.8
273.00421	13.2
274.01199	15.3
275.02020	11.9
284.03140	1.4
289.07419	1.4
298.95084	2.2
298.98343	36.6
299.99127	100.0
300.99890	32.2
302.00226	1.6
311.46509	1.1
312.99756	2.6
313.05511	3.9
322.00720	1.3
327.08597	3.1
345.09671	1.5
355.08237	1.8
371.07602	8.7
385.09177	1.8
389.08636	2.0
397.01321	1.4
397.05661	18.0
415.06641	9.2
432.03064	2.8
433.04172	14.5
463.05167	8.7
477.10309	7.1
480.05414	31.8
481.05768	2.1
551.13934	3.5
577.11945	17.7
595.09222	70.3
596.09576	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	595.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82496	1.2
59.01361	4.0
71.01363	3.0
71.42731	1.2
76.14368	1.2
82.96047	1.2
87.00846	1.5
89.02432	1.4
95.01390	2.0
96.96011	2.9
98.42348	1.3
101.02409	2.0
101.33140	1.2
105.07700	1.2
107.01335	2.4
118.70457	1.2
119.04998	3.5
123.00832	4.7
124.01658	1.6
125.02442	11.2
134.14665	1.3
135.02986	2.2
135.04486	1.6
137.02374	1.6
145.02847	1.9
151.00317	2.3
161.02390	2.5
163.03976	4.6
168.00520	1.1
169.01436	13.9
173.02338	1.8
175.03984	1.7
177.01855	1.4
179.03441	1.8
189.01833	2.0
190.02603	4.1
191.03337	1.2
199.00264	1.3
200.01054	1.5
201.01837	3.1
203.03325	2.3
216.00624	1.8
217.01402	2.4
218.02130	2.8
227.03432	1.3
228.00630	1.5
229.01344	4.1
230.02071	2.0
231.03008	1.4
242.99223	3.5
243.99997	1.7
245.00978	7.0
246.01535	1.7
247.02266	1.8
248.03133	5.1
249.03764	2.3
257.00879	3.2
258.01593	1.4
270.98853	32.4
271.99335	2.8
273.00421	13.2
274.01199	15.3
275.02020	11.9
284.03140	1.4
289.07419	1.4
298.95084	2.2
298.98343	36.6
299.99127	100.0
300.99890	32.2
302.00226	1.6
311.46509	1.1
312.99756	2.6
313.05511	3.9
322.00720	1.3
327.08597	3.1
345.09671	1.5
355.08237	1.8
371.07602	8.7
385.09177	1.8
389.08636	2.0
397.01321	1.4
397.05661	18.0
415.06641	9.2
432.03064	2.8
433.04172	14.5
463.05167	8.7
477.10309	7.1
480.05414	31.8
481.05768	2.1
551.13934	3.5
577.11945	17.7
595.09222	70.3
596.09576	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	595.1314
Annotation	Tricetin 6-C-glucoside-8-C-arabinoside
Peak:m/z	Relative Intensity
51.33572	0.5
59.01382	2.8
61.98832	0.9
62.48071	0.4
67.01891	0.6
69.03469	1.0
69.21992	0.9
69.22381	2.6
71.01380	2.1
71.05022	1.9
75.00877	0.5
78.01123	0.5
79.01922	1.1
81.03446	1.0
83.01368	0.5
83.94125	0.5
85.02963	1.8
89.02464	1.1
95.01389	2.2
96.96030	2.6
96.96957	0.7
97.02937	1.6
101.02432	2.1
107.00728	0.7
107.01422	8.0
111.00861	1.7
113.02451	2.2
114.93417	0.9
115.04037	1.8
123.00902	10.7
123.04618	0.5
124.01677	10.8
125.02468	36.6
126.02765	0.7
127.00381	0.6
136.98796	1.3
137.02438	1.3
139.00395	3.2
140.01160	2.8
141.01929	1.8
151.00397	7.4
151.04022	1.2
153.01952	1.0
161.02547	0.6
163.04002	0.9
166.99966	0.8
168.00687	4.6
169.01448	39.8
170.44786	0.5
175.04077	0.6
178.99857	1.3
179.03499	0.9
193.05049	0.8
211.02545	1.1
220.58733	0.5
223.02412	0.6
237.04175	0.7
249.73071	0.5
275.02063	0.7
295.04562	2.7
296.99844	0.6
313.05753	6.4
373.16629	1.4
425.10971	7.2
443.11978	10.3
451.03430	0.7
465.06839	0.8
501.36520	0.6
557.59540	0.5
595.13080	100.0
596.13367	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	595.1309
Annotation	6-Hydroxyluteolin 7-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.26510	0.4
59.01386	1.5
65.00318	0.4
71.01405	0.7
82.35135	0.4
88.56673	0.5
89.02436	0.6
92.35333	0.4
98.21891	1.3
100.63166	0.5
101.02453	0.8
107.01400	2.0
108.02183	1.6
121.02987	0.6
123.00935	0.9
124.01694	0.9
125.02425	1.1
135.04512	0.4
136.05286	0.5
141.66629	0.4
148.01721	1.3
150.03233	1.9
151.00386	5.1
151.03969	0.5
163.00365	1.2
164.01199	0.5
165.05603	1.0
169.01501	2.1
178.99915	3.1
183.04550	1.0
195.06688	0.7
199.04073	1.0
201.02078	0.5
211.04044	1.6
212.57227	0.4
215.03482	0.7
226.02803	0.9
227.03436	2.6
229.01411	0.6
229.05133	0.9
242.02528	0.5
242.05461	0.5
243.02985	10.8
244.03375	0.5
245.00816	1.0
248.03406	0.6
254.02208	1.7
255.02986	25.3
256.03384	0.9
270.99231	1.9
271.02493	54.1
272.02994	3.4
273.00381	1.7
273.04071	2.8
274.01205	1.6
275.02020	0.7
283.02551	0.5
285.07813	0.5
298.98364	1.9
299.02048	2.7
299.48312	0.5
300.02765	100.0
301.00043	0.7
301.03409	11.0
317.02902	0.5
327.08594	0.7
343.11938	1.7
371.07718	1.7
390.52850	0.5
391.13989	1.5
397.05716	3.4
415.06561	1.2
445.07739	0.6
463.09406	0.5
551.14490	0.6
577.11603	2.8
595.13080	59.8
596.13501	3.2
602.46295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1676
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01388	1.8
66.81535	1.1
71.01398	2.4
73.02989	1.4
78.36007	1.1
79.01934	1.9
81.03493	2.3
83.01409	3.9
93.03460	5.8
95.01411	4.3
95.05057	1.8
96.96011	2.4
97.02947	6.4
107.01393	8.6
107.05063	1.5
109.02956	3.0
111.00956	1.5
111.04535	1.4
117.03561	2.3
119.05047	41.1
121.03012	4.9
123.00928	4.2
123.04575	4.1
124.01672	1.8
125.02455	20.0
126.90530	1.9
126.91464	1.3
133.03008	1.4
135.04573	3.6
137.02467	6.4
139.04054	4.4
143.05080	5.4
145.02968	8.4
147.04529	2.6
149.02475	5.3
149.06204	1.3
150.03246	1.9
151.00447	3.5
151.04048	1.8
161.02502	1.9
161.06047	2.3
163.00392	3.1
163.04095	3.4
164.01201	2.8
165.01978	8.6
165.05611	2.0
167.03482	8.3
169.01448	8.1
169.06685	1.5
169.42664	1.2
173.02444	1.8
175.04019	2.8
177.01944	7.4
177.05624	1.7
178.02701	1.6
179.03398	2.9
187.04007	6.8
189.01880	1.5
190.02785	2.3
191.03604	4.4
193.01480	10.7
197.04626	3.2
199.07730	1.9
203.03513	2.3
205.01460	8.1
205.05083	1.2
207.03110	4.8
209.04633	4.6
211.02464	1.6
211.04443	1.3
211.07794	1.4
217.01459	2.5
219.03149	4.5
223.02654	1.3
225.56738	1.3
227.07265	3.6
229.01495	1.9
231.03201	2.4
233.04622	2.1
235.02515	16.0
239.05515	2.2
245.04591	1.8
247.02452	2.5
249.04083	5.7
255.10634	1.7
257.01074	1.9
261.00500	1.4
261.03967	1.9
265.03586	5.9
270.98981	5.0
271.06235	3.8
273.00558	3.1
274.01285	2.5
275.02014	6.0
283.06287	2.4
298.98492	9.3
299.99152	24.0
300.99930	11.1
313.07349	20.6
325.07172	10.1
327.08936	3.1
343.08325	7.4
355.08270	100.0
356.08749	5.4
367.08401	5.0
369.09711	1.5
385.09326	82.1
386.09668	3.4
397.09460	3.4
415.10480	22.6
427.10394	2.2
433.04083	3.2
445.11230	1.6
457.11423	10.5
463.05347	3.5
475.12482	43.8
476.13150	2.1
480.05521	1.8
487.12280	7.5
505.13687	10.6
559.15833	1.5
577.15912	5.5
578.15497	1.6
595.09393	10.7
595.17102	82.0
596.17273	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	595.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03444	1.4
59.01382	38.7
60.34981	0.6
61.98831	6.6
69.18726	1.5
69.19121	3.0
71.01386	26.3
72.99321	0.9
73.02952	3.8
75.00880	0.9
81.03452	0.7
82.62048	0.6
83.01378	2.1
83.05021	0.7
85.02955	7.3
87.00879	2.2
87.03085	0.6
89.02453	12.7
95.01386	1.4
96.96005	2.2
97.02924	0.7
98.21841	1.2
99.00896	1.2
101.02451	12.4
111.00890	1.3
113.02451	9.0
115.00378	8.4
116.92867	0.8
117.03452	0.6
119.03538	4.1
119.05032	11.0
121.02917	0.7
123.08131	0.9
124.01700	1.1
125.02453	3.6
133.02911	0.9
135.04512	3.3
135.11795	2.0
143.03561	0.9
145.02992	1.3
147.08167	14.0
149.06084	0.9
151.07674	1.1
153.05573	0.8
161.02425	2.5
161.04591	2.2
163.00391	3.1
163.04012	16.4
163.05363	1.0
164.01169	2.0
169.01466	4.3
179.03474	1.1
207.10335	0.9
261.07620	1.0
269.13959	2.1
273.28934	0.7
278.54367	0.6
299.16559	6.9
301.18085	1.8
317.17538	1.1
329.99100	0.7
461.20486	1.7
479.22888	100.0
480.23160	5.9
487.63458	0.7
557.12756	1.9
559.13898	0.8
595.26361	12.4
595.37811	1.1
596.26361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2759
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
51.01283	0.8
57.03448	2.3
58.05950	1.0
59.01374	2.5
61.98824	2.9
71.01359	1.0
80.02667	2.5
81.03455	4.7
83.01405	1.8
83.05039	8.4
84.02193	1.6
89.65121	0.9
93.03473	1.4
95.05050	6.1
96.75977	1.0
97.02956	9.4
97.06585	4.2
101.02432	1.0
106.04280	1.0
107.05052	1.7
109.06616	1.8
123.08163	5.2
125.06105	1.2
125.09722	3.6
135.08186	1.9
139.03987	1.0
149.09767	1.3
159.16591	1.0
163.11320	8.9
165.12849	4.1
169.67616	0.9
177.12932	2.2
179.14420	2.9
181.12268	1.3
183.79836	0.9
185.11787	1.7
187.11290	1.3
191.10925	1.1
197.11784	1.1
205.12349	16.0
207.10355	1.2
209.11842	89.2
210.12167	1.9
223.13408	100.0
224.13667	3.2
225.14989	1.2
225.93877	0.8
227.12878	12.5
237.14986	1.1
247.13445	1.0
249.11357	8.9
265.14453	1.2
267.12436	10.9
323.15030	4.4
341.16049	10.8
415.25024	1.3
429.86209	0.9
449.47729	1.1
533.27502	1.6
551.28595	34.6
552.28979	4.2
595.27557	18.6
596.28046	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	595.2896
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
78.95911	68.5
96.96979	12.9
96.97600	0.7
124.01663	5.7
131.08627	0.5
131.36798	0.7
133.06613	0.8
150.98082	1.3
152.99606	100.0
169.89000	0.6
171.00659	2.3
177.64256	0.6
223.00131	11.1
241.01218	26.4
241.08728	17.0
259.02219	2.1
279.23318	60.6
280.23657	2.8
315.04889	19.1
323.12888	2.1
333.06131	0.8
353.13776	1.0
548.60559	0.6
559.21283	0.7
595.28967	76.2
596.29053	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	595.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	18.6
59.94638	6.0
61.98832	12.6
70.19700	6.6
71.01376	7.9
71.43837	10.1
73.67460	7.0
75.14039	5.9
78.31620	6.0
81.03468	6.0
82.95435	11.7
85.02968	8.0
85.82468	6.8
97.02895	5.8
101.89753	7.7
109.06628	15.8
119.11680	6.9
163.11255	12.0
207.10268	44.6
209.11868	100.0
225.11397	32.4
227.12894	23.8
245.56567	7.0
245.79921	6.9
368.47006	7.5
377.23541	7.7
381.04391	7.5
447.24063	6.4
470.52472	8.2
501.32269	11.9
570.22754	6.9
595.29938	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	595.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29219	1.1
55.01877	1.9
57.03448	1.8
59.01384	100.0
69.03467	1.7
70.60774	1.7
71.01386	33.9
73.02955	10.5
76.07858	1.4
79.78229	1.1
81.91978	1.1
83.01388	5.1
85.02954	15.1
87.00881	4.7
89.02464	10.0
91.05550	1.5
95.01408	6.6
96.96004	4.7
97.02962	1.3
99.00897	5.3
101.02440	22.3
107.01404	3.4
111.00866	1.8
113.02454	16.2
117.03432	2.0
118.22318	1.4
119.03500	4.3
119.05023	3.0
120.02166	6.0
121.02965	84.9
122.03339	1.7
123.00883	7.2
124.01713	2.6
125.02464	15.6
133.02982	1.6
139.00359	1.5
143.03529	3.2
145.01505	1.6
145.02956	2.6
151.00348	2.3
153.09312	1.5
159.02975	2.1
161.02496	2.3
161.04567	11.4
163.03992	2.9
168.00671	1.8
169.01434	16.4
173.02454	2.7
175.04112	1.6
177.01971	2.1
179.05624	2.9
187.04083	1.3
189.01918	3.6
190.02698	3.3
191.03474	2.9
201.01912	3.8
202.02544	2.0
203.03534	3.0
203.18707	1.2
204.04111	1.3
209.04559	70.9
211.02408	2.6
214.99837	1.6
216.79907	1.1
217.01491	3.8
218.02243	2.9
219.02959	2.1
228.00758	1.6
229.01422	4.9
230.02081	2.0
231.03148	1.6
237.04027	1.5
242.99348	3.4
244.00134	2.2
245.00943	14.8
246.01544	1.8
247.02441	2.0
248.03271	4.6
249.04060	1.6
257.00943	3.5
258.01706	1.8
261.00409	1.3
270.98865	24.4
271.04614	3.1
271.99310	2.8
273.00409	24.9
273.03546	2.3
273.11340	1.3
274.01178	27.6
275.01981	13.2
279.02094	1.3
295.02097	1.8
298.98361	26.5
299.99118	26.7
300.99930	25.2
301.03354	2.6
302.00348	3.2
313.05624	3.2
325.42911	1.3
345.09784	1.6
353.07153	1.5
367.05048	1.4
371.07700	17.9
372.08069	1.7
373.22400	9.1
389.08685	3.8
397.00467	2.3
397.05649	44.1
398.06253	2.7
415.06674	13.9
452.05182	1.3
477.10370	3.8
479.04840	3.1
480.05557	17.1
483.07904	2.7
535.27600	78.1
536.28125	4.1
549.25366	2.2
577.11981	41.0
578.12543	5.1
595.12915	14.0
595.26031	3.3
596.12817	1.4
612.29712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98834	8.8
69.75604	3.4
69.75929	5.3
71.01389	8.3
73.02959	2.6
73.52342	2.2
85.02972	4.4
89.02459	7.3
93.79716	2.2
95.39754	2.5
101.02446	4.9
102.23302	2.6
113.02435	4.2
139.11320	5.2
139.39749	2.4
169.01491	3.6
179.05630	2.5
183.10298	35.4
188.55231	2.2
197.11937	4.5
225.11334	9.1
505.52545	2.6
579.65845	2.8
595.30194	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	596.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18325	1.1
50.48859	0.9
52.96936	0.8
59.01402	1.5
60.61612	0.8
61.98836	100.0
70.92579	1.2
71.01355	1.0
79.61355	1.0
85.26592	0.9
111.55922	0.9
192.04167	1.0
207.01514	0.9
278.00702	1.1
379.09451	1.1
458.00504	1.4
612.10333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31566	1.8
56.18831	1.6
59.01393	3.3
69.03496	2.6
71.01035	1.8
71.01398	5.7
71.05036	1.5
73.02969	3.5
81.03458	16.6
83.01395	16.7
83.28790	1.7
85.02991	2.2
87.00878	3.4
90.22500	1.6
91.63163	1.7
93.03475	5.1
95.01404	6.2
95.05039	10.2
97.02952	11.8
99.04539	7.7
101.02468	2.0
105.03501	2.5
107.01423	1.7
107.05051	3.1
109.02946	9.5
111.00891	3.4
111.04523	7.1
113.02456	3.9
121.02981	6.3
121.06638	2.9
122.03764	4.3
123.00927	3.5
123.04538	33.9
124.01692	2.4
125.02464	51.8
133.02977	26.8
135.04565	7.2
137.02457	15.7
137.06107	4.3
138.03265	1.7
139.04027	7.6
147.04605	4.1
149.02441	6.4
150.03258	13.2
151.04030	9.2
153.05595	6.1
155.03493	2.2
163.04045	5.9
164.01227	2.1
164.04787	3.1
165.01918	3.7
165.05591	16.3
166.02689	3.4
167.03517	62.9
168.03781	1.9
169.01486	9.5
175.04030	4.1
177.01909	13.4
177.05603	3.4
179.03535	19.5
180.04404	1.6
181.05096	2.8
187.03984	2.4
191.03517	5.7
193.01601	2.4
193.05133	2.6
195.06642	10.4
197.04556	17.6
207.02991	3.2
209.04570	100.0
210.04900	2.6
221.04527	10.1
223.06087	1.7
233.04544	1.8
235.02448	7.8
239.05615	80.1
240.06062	2.4
245.86023	1.9
247.02438	3.6
251.05606	7.7
259.06049	2.0
269.06668	38.2
277.03586	19.4
281.06598	15.5
293.06805	2.1
299.07767	18.2
300.99957	5.0
307.04584	9.6
311.07895	10.4
329.08755	18.4
337.05792	3.3
337.09470	4.5
341.08948	2.8
349.05728	4.0
359.09793	2.9
367.06665	4.8
387.07224	74.9
388.07712	3.2
397.07977	2.9
399.07092	2.0
401.10962	2.1
417.08310	37.8
418.08405	2.5
419.12027	11.9
429.08249	2.1
441.07971	2.1
447.09363	11.7
459.09268	8.7
461.14569	3.0
477.10419	21.1
489.10440	5.2
507.11633	15.3
519.11725	2.4
551.27118	2.3
579.16772	2.2
583.99725	2.1
597.16376	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	597.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22672	0.4
58.78568	0.4
59.01390	3.7
60.36482	0.4
61.98812	0.6
67.01902	0.7
69.03446	1.3
70.02679	1.3
71.01373	2.3
73.02950	1.1
75.00876	3.9
78.01107	0.9
79.01886	1.5
81.03466	4.1
83.01374	1.2
83.05040	10.0
85.02946	0.9
87.00874	0.4
89.02454	0.9
89.05414	0.4
93.03442	0.4
95.01396	1.9
97.02946	0.9
98.22515	0.5
99.04520	0.6
100.07671	1.1
101.02453	1.4
107.01407	7.6
111.00880	2.0
113.02470	1.8
116.92884	0.9
117.05530	0.6
117.20380	0.4
119.03518	0.6
121.02966	0.6
123.00905	11.2
124.01682	16.2
125.02465	36.6
126.02776	0.8
128.11244	0.4
135.04523	0.6
136.98831	1.0
137.24272	0.4
139.00383	2.6
139.03996	0.9
140.01157	2.5
141.01933	1.8
149.02454	0.4
151.00389	7.4
153.01909	1.0
161.02486	0.5
163.03981	0.7
164.42903	0.4
166.02783	0.6
166.06364	0.6
166.99883	0.6
168.00668	6.5
169.01443	35.5
175.03990	0.5
179.03429	0.7
181.08621	0.6
183.03024	2.2
185.03659	0.5
193.01450	0.5
199.18204	2.1
211.02501	1.4
225.04066	1.2
225.16153	2.2
243.17131	4.4
251.05498	0.6
257.94186	0.6
275.02045	0.4
285.06186	0.8
292.57599	0.5
293.07141	0.4
313.05664	1.2
353.20786	1.4
395.09885	2.1
413.10861	3.3
427.12323	3.3
435.11356	0.5
444.58157	0.5
445.13574	11.2
469.34152	3.1
520.58887	0.4
553.10315	0.5
565.12042	1.4
579.37732	1.2
597.14661	100.0
597.38690	25.3
598.14862	6.0
598.38904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.9
61.98829	1.5
65.00361	0.5
66.44544	0.5
67.01894	1.3
69.03438	1.3
69.30628	0.6
69.33668	3.3
71.01374	2.4
73.02965	0.5
75.00877	6.4
79.01881	1.0
81.03470	9.0
81.29280	0.5
83.01382	1.3
83.05035	24.7
85.02962	1.1
86.00098	0.5
89.02438	0.7
91.88447	0.5
95.01377	2.3
97.02950	1.8
98.21937	0.9
99.04523	1.0
100.07698	4.0
101.02448	1.7
107.01398	9.1
108.83753	0.5
109.02876	0.6
111.00891	1.5
113.02437	0.9
123.00901	13.9
124.01678	18.7
125.02463	39.1
126.05572	0.6
136.98849	1.2
139.00427	2.7
139.04031	1.1
140.01181	2.5
141.01959	2.6
151.00385	6.9
153.01933	1.5
168.00658	7.0
169.01442	40.8
178.99800	0.8
179.03630	0.6
183.02998	3.1
199.18178	4.3
211.02477	0.8
225.04088	1.1
225.16096	5.8
237.04037	0.6
239.09215	1.1
243.17148	13.1
269.15192	1.0
285.06415	0.9
308.23126	0.6
309.21725	0.8
313.05731	1.3
353.20859	4.1
373.38596	0.6
395.09927	2.3
413.10941	3.5
427.12698	4.1
445.13550	12.6
451.32901	1.4
469.33905	9.1
528.34686	0.6
565.12115	1.4
579.37994	2.0
597.14667	100.0
597.38702	72.8
598.15070	6.9
598.38989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.4
66.73732	1.4
69.03464	2.0
69.27375	6.6
71.01381	2.6
73.02956	2.0
80.81336	1.3
81.03473	15.9
83.01385	13.6
85.02965	2.9
93.03468	2.7
95.01395	6.2
95.05030	6.3
97.02967	12.3
99.04530	7.0
109.02956	11.9
111.04528	5.2
113.02455	4.1
115.26368	1.3
121.02956	5.2
121.06628	2.8
123.00902	3.1
123.04540	27.6
124.01672	1.9
125.02456	40.6
133.02975	23.9
135.04565	5.1
137.02452	16.1
137.06084	2.5
139.03998	4.9
142.75481	1.4
149.02448	2.9
149.06110	2.1
151.04007	9.4
153.05597	4.4
155.03508	1.9
163.03981	4.0
165.01964	3.7
165.05603	6.4
167.03511	51.0
169.01451	3.7
175.03970	3.2
177.01953	10.2
177.05573	2.2
179.03502	13.0
181.05029	2.3
191.03484	4.6
193.05075	3.5
195.06607	2.5
197.04564	16.7
203.03534	2.1
205.01447	1.6
206.02155	3.0
209.04572	100.0
221.04546	6.9
233.04370	1.6
235.02541	4.4
239.05629	87.5
240.06136	1.5
247.02469	2.9
249.03886	1.7
251.05672	5.7
263.05563	3.3
265.03436	1.6
269.06696	35.5
277.03540	17.5
281.06689	11.6
299.04736	2.2
299.07813	21.8
300.99893	1.7
307.04657	11.9
311.07813	9.2
329.08798	15.0
337.05731	3.2
341.08688	5.1
359.09802	3.5
363.09546	1.4
367.06650	4.8
379.06699	2.7
387.07242	56.9
388.07562	2.0
397.07794	4.1
399.07141	3.0
401.10901	3.0
417.08310	39.0
418.08478	2.3
419.11969	13.6
436.98047	1.4
447.09363	9.5
459.09225	7.2
477.10410	19.8
489.10303	6.1
507.11395	10.3
525.12628	2.7
597.14502	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	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25056	1.7
59.01386	5.1
64.03355	1.9
69.46558	7.6
71.01403	4.5
73.02946	4.3
81.03477	1.8
83.01405	4.5
85.02962	3.1
85.54369	1.7
87.00883	35.5
91.91439	2.1
93.03466	3.9
96.96007	2.0
99.00887	4.6
101.02473	3.1
102.13074	2.1
103.91939	1.9
109.02975	2.3
111.00893	42.4
121.02957	4.4
122.03783	10.9
123.00887	2.2
123.04596	2.7
124.01685	2.8
125.02462	6.7
131.03500	3.2
135.04576	2.3
147.02998	2.0
149.02469	22.3
150.03249	92.4
151.04005	10.6
151.91055	2.1
156.54085	2.3
161.02493	4.5
163.03973	2.3
164.04816	16.0
165.05586	100.0
166.02678	5.7
169.01468	9.9
176.04813	2.7
177.02051	2.6
179.03503	5.6
179.07103	12.8
180.04280	8.1
181.05058	5.5
190.02800	2.5
191.01918	2.8
191.03539	3.4
194.05882	6.8
195.06625	34.3
205.05032	2.4
207.06566	2.3
209.08157	9.6
234.05394	2.5
239.05763	2.9
247.06070	2.8
249.04071	3.4
249.07742	6.4
261.04059	2.0
264.06369	12.7
265.07098	11.2
279.08743	3.2
291.08694	2.4
300.99973	3.3
337.09152	9.7
357.13446	3.3
373.08459	2.8
385.13281	2.3
413.12625	5.5
461.14575	71.3
462.15195	3.0
487.16055	2.8
505.17062	4.2
521.16437	3.6
532.16376	2.2
579.17303	7.4
597.18384	86.5
598.18463	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	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21486	0.8
57.03449	1.1
57.48862	0.6
59.01371	2.8
59.51216	0.7
68.99796	1.0
69.03445	0.6
69.20211	3.6
71.01395	2.1
73.02969	0.9
75.00868	1.3
81.03464	8.0
83.01385	7.3
85.02964	1.9
86.09170	0.6
87.00871	2.5
93.03471	5.6
95.01398	1.7
95.05035	4.0
96.96001	0.8
97.02959	4.0
98.22622	1.7
99.04523	2.2
107.01379	0.8
107.05032	1.9
109.02946	2.6
109.06578	0.8
111.04520	2.1
113.02467	2.1
119.05030	7.0
121.02969	3.1
121.06602	1.7
122.03705	0.9
123.00893	1.3
123.04522	14.7
125.02446	12.8
135.04539	4.3
137.02446	3.7
137.06071	7.3
139.04025	10.2
141.05536	0.8
147.04504	4.1
149.02466	1.7
149.06125	2.1
151.04050	4.2
152.23943	0.7
153.05568	2.0
155.03473	1.1
161.02460	1.1
161.06099	2.0
163.03998	3.4
164.04787	0.7
165.01945	2.4
165.05577	6.8
166.02786	0.9
167.03500	27.5
169.01447	0.8
175.57991	0.6
177.05548	1.5
179.03526	7.5
179.07080	1.1
180.04195	1.0
181.05086	2.7
182.26456	0.6
189.05566	7.5
191.03529	2.2
191.07155	1.1
192.04453	0.7
193.05095	3.3
197.04546	5.7
205.05066	1.6
207.03021	1.1
207.06702	1.9
209.04570	26.4
219.03085	0.8
221.04561	5.0
222.59836	0.8
229.08673	1.0
233.04626	1.6
239.05611	11.6
251.05644	4.7
263.05670	1.9
269.06677	2.3
273.07690	3.5
281.06677	1.3
285.07745	1.5
299.09644	0.7
315.08731	15.3
327.08691	8.3
341.10260	0.9
345.09839	6.2
357.09808	100.0
358.10086	3.5
369.09879	4.8
371.11346	1.5
387.10867	78.2
388.11185	2.3
399.10831	4.3
417.11929	23.1
429.12222	1.8
432.74719	0.8
441.11908	1.6
459.12961	9.5
477.13998	17.8
489.13986	6.7
507.15396	2.4
579.17639	1.5
597.18475	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	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82972	1.8
59.01372	4.6
69.06780	1.6
71.01390	8.4
71.42599	2.5
73.02938	6.0
81.03465	4.7
83.01389	4.4
85.02956	3.7
87.00890	25.0
93.03470	3.0
95.01399	2.1
96.96095	1.9
97.02946	2.7
99.00903	5.8
100.01678	3.9
101.02443	2.6
107.01405	2.2
111.00907	15.6
112.98814	4.6
121.02975	4.2
122.03758	17.4
123.00900	9.2
123.04538	4.9
125.02447	14.7
133.02942	4.2
135.04561	3.4
136.01654	2.4
137.02502	4.5
142.99886	5.4
145.01498	2.6
149.02449	26.4
150.03239	91.5
151.00391	3.1
151.03996	6.4
160.02728	1.7
161.02455	5.6
163.04015	5.4
164.04834	12.2
165.05580	100.0
166.02693	4.7
167.03523	6.4
169.01424	8.0
173.00977	9.8
173.02255	1.8
174.01718	4.1
175.04037	2.7
176.04773	5.3
177.01982	3.1
178.02855	2.2
178.06328	3.5
179.03494	6.4
179.07182	6.0
180.04301	6.9
181.05130	7.2
189.05496	2.0
190.02682	1.9
191.03505	5.2
191.07138	2.7
194.05847	4.1
195.06644	43.4
197.04608	2.4
203.03485	2.8
205.05089	3.0
206.05798	4.3
209.04497	12.0
209.08260	6.7
219.02919	4.1
221.08228	5.7
231.02782	2.0
234.05408	3.9
239.05652	9.3
246.01793	3.4
247.02486	4.1
249.04004	4.1
249.07724	3.4
261.04144	4.4
262.04916	6.1
264.06412	4.3
265.07257	4.8
269.06671	4.8
275.02008	2.1
276.06430	3.9
277.03928	2.3
277.07266	10.2
299.07776	2.6
299.99304	2.4
300.99838	6.5
337.05200	2.3
337.09296	41.2
369.13315	10.1
387.07236	7.8
413.12402	5.8
417.08334	5.8
443.13480	2.7
461.14636	33.6
473.14432	3.7
477.10565	2.4
482.06009	2.0
485.15100	3.9
491.15680	2.2
521.16968	5.3
533.16376	9.5
579.17548	16.0
597.18365	84.4
598.18719	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	597.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29675	1.0
59.01374	2.1
61.98824	4.5
71.01378	1.3
79.76762	0.9
95.05012	1.0
97.34843	0.9
119.20744	0.9
121.02941	3.6
123.00912	1.3
138.34688	0.9
149.02455	40.0
149.06091	1.4
150.03206	5.1
153.05560	1.2
159.04472	1.1
160.01779	1.1
164.04813	11.0
165.05559	3.3
170.08342	1.0
175.03984	1.2
177.05621	4.7
179.07112	2.5
190.06314	1.8
192.08025	1.4
195.06660	1.6
209.90375	1.2
219.06812	1.2
224.06798	1.8
238.22241	1.1
240.07878	1.7
256.07413	1.4
267.06644	1.5
267.10056	1.2
268.07352	2.2
279.10049	1.1
280.07407	1.5
283.09711	2.2
284.06842	1.2
293.08188	1.3
296.06909	2.6
297.07986	1.6
297.11356	3.1
299.09250	1.3
307.06476	1.2
307.09766	3.9
308.06927	2.7
308.10553	4.8
309.07684	3.0
309.11169	1.4
311.09296	2.1
311.12769	1.3
312.06473	3.8
323.09427	5.5
323.12622	1.2
324.06387	2.3
324.09903	3.5
325.10898	7.1
326.11536	11.8
327.08792	9.6
328.09399	1.9
338.11618	2.1
339.08804	15.7
339.12497	2.6
340.09344	1.6
341.13971	3.5
342.11038	9.7
343.11758	1.6
354.10941	5.2
357.13452	25.3
369.13455	29.1
452.06158	1.0
457.12665	2.7
461.16275	3.4
472.15256	2.0
487.17654	3.9
489.15454	1.2
490.16196	2.3
505.18781	18.4
517.18909	5.8
535.19788	100.0
536.19952	6.2
574.95905	1.0
597.22424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.0
71.01383	5.4
72.41759	0.7
73.02950	2.9
85.02968	1.5
87.00871	0.7
87.04530	0.9
88.98791	1.2
89.02457	3.2
97.02953	0.9
101.02447	2.5
102.33130	0.7
106.82570	0.7
111.07032	0.8
113.02426	1.4
116.92828	0.9
125.02442	2.4
135.08199	1.8
136.44611	0.8
137.09738	9.6
155.10793	99.0
156.11168	1.5
157.06583	0.8
169.01440	1.5
199.09769	20.7
225.73016	0.8
241.10770	2.2
247.34863	0.8
372.48517	0.7
396.85190	0.8
597.24036	100.0
598.24310	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	597.3285
Annotation	Cyl-2
Peak:m/z	Relative Intensity
57.03438	3.4
59.01389	10.8
61.98834	2.5
69.03471	1.4
69.91491	1.2
71.01382	7.7
73.02942	2.6
77.24216	1.2
83.01440	1.6
83.05036	1.4
85.02954	4.6
89.02453	3.1
101.02448	4.5
109.06606	2.2
111.08161	3.4
113.02464	4.2
135.08508	1.1
138.06892	5.2
153.09227	13.5
161.04498	1.5
165.12866	27.3
171.10234	1.6
183.13914	69.5
197.15547	2.9
207.13976	1.8
209.11757	7.7
223.13199	1.7
225.15013	14.9
227.12964	6.0
229.25552	1.5
229.69498	1.4
294.85132	1.7
330.78836	1.2
478.05157	1.4
597.32928	100.0
598.33228	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	597.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.4
61.67160	0.6
61.98840	3.5
67.01865	0.8
69.03448	0.9
70.29629	0.9
70.29963	1.3
71.01386	2.0
73.02950	0.8
75.00875	24.3
79.01898	0.7
81.03462	12.1
83.05033	35.4
89.02432	1.1
95.01400	1.5
96.82778	0.6
97.02987	1.1
99.76740	0.6
100.07678	5.2
101.02462	0.9
103.00359	0.9
103.01479	0.7
107.01402	7.9
111.00884	1.5
111.78888	0.6
113.02460	1.5
116.92888	2.1
118.12918	0.6
123.00896	10.9
123.04526	0.8
124.01679	13.8
124.05674	0.7
125.02462	30.4
126.02795	0.7
126.05602	1.1
136.98799	0.9
138.03146	0.8
139.00392	2.1
140.01184	2.5
141.01990	1.2
151.00388	6.3
153.01860	0.9
166.99921	0.9
168.00658	6.5
169.01433	29.5
170.01764	0.8
183.03023	1.8
188.94861	0.6
199.18129	6.3
211.02594	0.8
225.04353	0.8
225.07622	1.1
225.16090	8.4
228.29524	0.8
239.09253	1.4
243.17117	18.0
269.15033	1.5
271.04376	0.7
285.06198	1.0
309.21909	1.2
311.68430	0.6
313.05643	1.4
323.74951	0.6
326.11838	0.8
338.25586	0.6
353.20840	6.7
395.09933	1.8
413.10843	2.5
427.12460	2.3
435.16547	1.1
445.13513	8.6
446.13626	1.0
451.32700	1.7
469.33969	13.1
579.37219	3.6
597.14661	76.3
597.38696	100.0
598.15002	7.6
598.39056	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	598.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51014	0.9
59.01379	1.1
61.98835	9.1
69.03446	1.4
71.01398	2.0
71.44516	0.9
86.57211	1.1
88.39883	0.8
95.01412	1.8
97.02981	1.3
107.01405	7.2
111.00870	1.9
116.92888	0.8
123.00902	12.7
124.01689	12.7
125.02465	38.8
136.98825	1.1
139.00426	4.2
140.01187	3.2
141.01909	1.4
145.02905	1.1
150.03156	1.2
150.41127	0.8
151.00414	5.0
166.99890	2.6
168.00664	11.4
169.01443	44.6
170.01804	1.1
177.01939	2.0
177.04045	1.0
179.03401	1.0
192.04285	2.5
207.06657	3.1
211.02466	2.4
237.03970	1.5
271.04703	1.5
295.04733	1.0
297.06213	0.9
322.98389	0.9
362.24402	0.8
381.11713	1.2
399.12964	2.6
402.73755	0.9
411.11929	0.9
428.11990	4.4
429.12885	1.0
446.12982	10.0
468.36356	1.0
598.14172	100.0
599.13983	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	598.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21127	2.0
61.98835	100.0
98.21893	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	599.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.7
61.98812	2.1
63.88906	0.6
67.01871	1.2
69.03454	0.7
71.01385	4.2
71.30320	0.5
71.43468	0.8
75.00884	1.1
76.77576	0.5
78.01097	0.9
78.45116	0.6
79.01886	1.3
79.54977	0.5
82.00613	1.0
82.02199	0.6
83.01392	1.3
83.43161	0.5
85.02984	1.0
87.00871	0.9
89.02448	1.3
95.01409	2.1
96.96017	2.3
97.02949	1.4
100.51304	0.6
101.02464	1.2
103.00378	1.6
103.01475	2.8
107.01385	4.1
110.00086	0.7
111.00887	2.5
113.02425	0.7
121.02998	0.6
123.00887	14.0
124.01669	21.1
125.02460	19.9
126.76319	0.6
127.00347	1.2
133.92940	0.6
135.04526	1.1
136.98810	2.1
138.03223	0.7
139.00388	4.3
139.03987	1.4
140.01193	5.8
141.01907	2.1
151.00392	5.1
151.04037	1.3
152.17934	0.6
153.01926	0.8
153.05608	1.2
165.01938	1.2
165.05560	1.3
166.99881	1.7
168.00645	13.7
169.01434	26.8
170.01801	0.7
177.03966	0.9
179.03537	1.0
181.01460	1.1
181.05058	9.5
182.02222	1.9
182.05806	0.7
183.03000	6.2
195.06639	0.7
196.07414	7.1
197.08308	1.1
210.01642	1.4
211.02502	8.6
211.09787	3.5
220.57712	0.5
225.04071	5.6
247.95735	0.6
271.04648	3.4
275.02023	1.1
285.06226	1.9
300.99963	1.9
311.87708	0.6
313.05624	1.4
327.08728	0.6
371.09625	1.0
387.09238	1.9
450.99643	1.6
508.60931	0.7
599.19836	100.0
600.20129	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	599.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.7
61.98812	2.1
63.88906	0.6
67.01871	1.2
69.03454	0.7
71.01385	4.2
71.30320	0.5
71.43468	0.8
75.00884	1.1
76.77576	0.5
78.01097	0.9
78.45116	0.6
79.01886	1.3
79.54977	0.5
82.00613	1.0
82.02199	0.6
83.01392	1.3
83.43161	0.5
85.02984	1.0
87.00871	0.9
89.02448	1.3
95.01409	2.1
96.96017	2.3
97.02949	1.4
100.51304	0.6
101.02464	1.2
103.00378	1.6
103.01475	2.8
107.01385	4.1
110.00086	0.7
111.00887	2.5
113.02425	0.7
121.02998	0.6
123.00887	14.0
124.01669	21.1
125.02460	19.9
126.76319	0.6
127.00347	1.2
133.92940	0.6
135.04526	1.1
136.98810	2.1
138.03223	0.7
139.00388	4.3
139.03987	1.4
140.01193	5.8
141.01907	2.1
151.00392	5.1
151.04037	1.3
152.17934	0.6
153.01926	0.8
153.05608	1.2
165.01938	1.2
165.05560	1.3
166.99881	1.7
168.00645	13.7
169.01434	26.8
170.01801	0.7
177.03966	0.9
179.03537	1.0
181.01460	1.1
181.05058	9.5
182.02222	1.9
182.05806	0.7
183.03000	6.2
195.06639	0.7
196.07414	7.1
197.08308	1.1
210.01642	1.4
211.02502	8.6
211.09787	3.5
220.57712	0.5
225.04071	5.6
247.95735	0.6
271.04648	3.4
275.02023	1.1
285.06226	1.9
300.99963	1.9
311.87708	0.6
313.05624	1.4
327.08728	0.6
371.09625	1.0
387.09238	1.9
450.99643	1.6
508.60931	0.7
599.19836	100.0
600.20129	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	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.7
68.33819	0.9
71.01377	3.0
77.98722	0.9
87.69612	0.9
89.02454	3.3
92.01224	1.1
95.01412	2.2
97.02959	2.0
99.00896	1.6
101.02451	2.9
107.01397	12.1
123.00903	13.3
123.93377	1.0
124.01691	9.1
124.97999	1.2
125.02466	32.4
136.98782	1.4
139.00366	3.5
140.01120	3.0
141.01965	2.3
151.00360	7.3
164.31157	1.0
168.00706	3.0
169.01445	41.8
171.10278	1.9
180.85181	1.1
209.11806	1.1
321.91754	1.0
343.11493	1.1
470.85428	1.1
599.23511	100.0
600.23798	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	599.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13241	1.1
59.01386	70.3
61.98834	1.5
64.10828	1.2
66.41579	0.9
69.37392	4.8
71.01392	1.9
89.02499	1.2
96.95989	1.4
107.01445	1.7
121.02966	5.1
122.03749	2.7
123.00918	3.1
125.02483	5.9
130.57524	1.3
133.05144	1.9
147.04523	1.2
149.02461	54.1
150.03238	16.4
151.00468	1.4
154.92677	1.3
163.04034	3.2
164.04793	13.5
165.05591	24.7
166.02826	1.2
166.06355	4.0
167.07156	3.5
169.01462	8.8
180.04280	1.6
181.08699	1.6
195.05023	1.3
195.06660	14.7
201.01932	1.5
201.11304	3.3
209.04384	1.3
264.41507	1.2
275.02036	1.8
283.09744	2.7
285.06354	1.3
299.98932	1.2
301.00015	2.1
314.11667	26.5
329.13971	100.0
330.14453	3.4
377.16083	41.2
447.15567	1.8
450.99573	2.1
599.14697	2.4
627.42786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.7
67.01901	1.7
71.01383	7.1
71.42101	0.6
73.02944	3.1
79.01906	1.4
83.01388	0.8
85.02944	1.6
89.02464	7.2
95.01369	2.1
97.02953	2.3
99.00902	3.7
100.94289	0.9
101.02456	2.4
107.01412	7.8
111.00869	2.2
113.02450	1.1
115.20403	0.8
119.03505	1.3
120.78272	0.7
123.00897	26.2
124.01694	9.9
125.02464	24.3
136.98869	1.2
139.00386	4.8
140.01129	2.7
141.01926	4.5
149.04480	0.8
151.00383	14.1
153.01933	0.8
168.00633	2.7
169.01450	26.5
238.53166	0.7
252.69426	0.8
381.35294	0.8
543.04938	1.0
599.23505	100.0
600.23633	5.9
605.82721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80756	0.6
59.01385	4.4
59.13480	1.0
61.98830	5.0
65.14217	0.7
67.01894	0.7
67.23997	0.6
69.03457	1.6
69.14874	4.7
71.01385	4.6
73.02943	2.4
74.32203	0.6
75.00895	1.0
79.01890	1.2
81.03493	1.0
81.08595	0.6
85.02954	1.8
89.02450	3.0
89.75657	0.6
91.10683	0.6
95.01394	1.9
97.02991	1.1
98.22616	1.3
99.00888	2.5
101.02457	2.8
107.01403	32.1
111.00904	1.0
113.02467	1.6
123.00907	12.3
124.01704	1.7
125.02464	73.3
126.02869	1.1
137.02582	0.7
139.00375	0.9
141.01936	2.6
150.03236	1.5
151.00394	5.6
151.03961	0.7
165.05573	1.5
168.00685	1.0
169.01442	95.6
170.01773	1.1
179.03575	1.6
193.68205	0.7
209.11736	0.9
241.03502	2.0
269.08246	1.0
301.05716	2.3
311.09274	0.8
314.11432	0.8
329.13855	2.5
341.13916	0.8
354.98621	0.7
403.14108	1.5
461.09177	4.0
491.26364	0.7
507.20245	1.9
537.21350	4.5
581.12628	0.7
599.23499	100.0
600.23810	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	599.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89567	3.4
52.96370	3.6
58.71101	3.2
59.01385	100.0
61.98839	13.9
69.11903	23.6
71.01389	49.1
73.02948	4.9
83.15393	3.2
85.02982	8.3
89.02451	58.6
94.56100	4.0
94.92220	3.7
96.96024	8.9
101.02436	24.7
109.03017	3.9
113.02451	21.3
119.03503	18.2
123.00883	3.6
125.02383	5.5
143.03578	7.2
161.04608	11.9
169.01422	10.0
177.14459	3.4
179.05650	30.6
211.02527	3.4
300.99811	5.1
329.14148	3.8
336.40500	3.5
450.99747	4.4
538.30316	4.2
539.29785	8.1
599.24097	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	599.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.4
59.01382	5.7
61.98832	0.9
63.71559	0.3
67.01868	0.4
69.03468	1.0
69.08180	0.3
70.81371	0.3
71.01391	3.0
71.07355	0.5
73.02953	1.2
75.00876	0.4
78.04007	0.3
79.01888	1.0
81.03465	0.5
85.02949	0.8
86.06441	0.3
89.02454	2.9
95.01402	1.1
97.02960	1.0
99.00912	2.4
101.02424	1.9
107.01400	37.7
108.01723	0.5
109.03014	0.5
111.00881	0.6
113.02453	0.7
123.00902	8.7
124.01703	2.6
125.02458	72.6
126.02787	0.8
131.03549	0.5
139.00395	0.9
140.01065	0.5
141.01933	1.2
150.03232	0.6
151.00385	4.2
161.04611	0.4
168.00661	0.7
169.01439	94.5
170.01785	1.2
191.05630	0.6
195.06779	0.4
241.03683	0.4
272.34515	0.4
283.04694	0.4
393.73041	0.4
421.07526	0.4
564.81000	0.4
573.08240	0.4
599.23499	100.0
600.23828	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	599.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03456	3.7
59.01387	10.9
60.28320	0.6
60.69942	0.6
61.98826	2.5
62.27475	0.6
64.05159	0.6
64.32029	0.7
66.61750	0.7
67.66917	0.7
69.03437	1.5
69.14479	4.3
69.87051	0.7
71.01392	12.4
71.05013	1.9
72.99339	0.9
73.02950	4.2
77.27030	0.7
83.01373	1.9
83.05019	1.3
85.02969	7.2
87.00879	0.8
89.02448	3.2
95.01372	2.0
97.06591	1.0
99.00882	1.8
101.02460	7.0
104.98544	0.8
107.01382	1.9
111.08153	4.5
113.02477	5.7
115.90704	0.6
119.03485	1.0
123.00871	1.2
124.01684	1.1
125.02492	4.6
139.07666	2.6
151.00394	1.1
153.09193	1.8
155.10796	7.8
161.04535	2.9
163.11327	1.2
165.12852	30.9
169.01477	4.1
171.10281	23.9
181.12308	0.8
183.13911	78.3
184.14201	1.9
191.10881	1.1
209.11853	24.0
227.13019	4.2
227.16518	7.0
235.08366	0.9
242.47188	0.7
253.09384	1.5
284.80063	0.8
354.32260	0.8
389.21960	1.1
479.98709	0.8
581.31567	0.7
599.23846	11.0
599.34320	100.0
600.24841	1.1
600.34698	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	600.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33391	0.5
59.01390	3.8
61.98836	3.7
65.60265	0.5
67.01881	0.7
71.01378	1.9
77.16795	0.5
83.01418	0.5
85.02937	0.6
87.00869	0.5
88.40210	0.5
89.02439	1.2
95.01421	1.4
96.96027	3.8
101.02467	1.4
107.01397	2.4
110.00150	0.6
111.00875	1.1
113.02411	1.0
119.03530	0.6
123.00898	10.4
124.01681	7.9
125.02456	13.2
136.98756	0.8
139.00392	1.1
140.01147	1.1
141.01952	2.3
147.04597	0.7
151.00380	6.8
153.09227	0.8
154.58612	0.6
157.04506	0.5
157.84935	0.5
159.94820	0.5
166.99948	0.7
168.00639	4.2
169.01442	18.9
170.01828	0.7
205.12311	1.1
206.43140	0.6
211.02470	4.9
223.60005	0.6
242.97101	0.6
269.54636	0.5
271.04633	5.4
275.01880	0.7
300.99860	0.7
313.05472	1.9
401.67249	0.5
408.92105	0.6
526.34381	0.6
537.19836	100.0
538.20221	7.2
600.22760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.2
61.98841	18.2
69.28895	9.5
71.01379	3.6
96.96009	8.8
107.01387	4.5
111.00892	3.4
123.00898	10.1
124.01677	11.2
124.13080	2.4
125.02454	30.8
151.00385	4.5
167.03453	2.2
168.00658	15.5
169.01440	40.3
174.72641	1.6
175.55949	1.7
187.03871	1.8
190.08179	1.9
211.02495	66.8
271.04620	100.0
272.04971	3.2
275.01804	2.5
300.99750	4.8
313.05746	5.5
331.06763	30.2
511.10999	2.4
537.11676	3.4
537.19830	68.8
538.20459	4.1
551.15771	2.4
601.15729	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	600.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47960	0.7
61.98836	100.0
87.10180	0.7
89.02427	1.0
98.22804	1.1
125.02492	1.2
133.02994	0.8
137.02505	0.8
171.10246	0.9
179.03549	1.5
193.05084	1.0
330.14249	1.3
488.90482	0.8
508.21091	1.8
537.21497	1.4
538.22009	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	601.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.6
69.03457	1.3
71.01399	4.9
73.02962	1.4
81.03483	1.0
85.02952	2.9
85.84290	1.1
87.00922	1.2
89.02460	3.9
95.01379	2.7
96.96032	2.9
97.02938	1.7
100.87252	1.1
101.02465	3.0
107.01413	8.5
109.02915	1.3
111.00923	2.5
113.02462	2.1
119.03490	1.5
123.00894	15.0
123.04464	1.4
124.01688	9.2
125.02463	37.7
127.00378	1.1
133.01421	1.4
136.98792	1.1
137.02446	1.4
139.00381	2.7
140.01193	2.1
141.01936	2.0
149.02437	3.4
150.03217	3.2
151.00381	7.0
152.72720	1.0
153.01862	1.5
161.02460	1.7
163.04031	1.2
165.05598	2.7
168.00659	5.8
168.99983	2.4
169.01447	49.6
175.03932	1.7
177.01982	2.1
179.03459	1.9
181.01485	1.3
181.05185	1.1
187.00462	2.1
191.03534	2.3
193.05098	1.3
195.06647	3.9
207.03180	1.2
211.02530	3.8
213.05637	1.1
214.99841	2.7
216.61473	1.2
217.01486	1.2
225.71950	1.2
229.01405	1.7
271.04587	3.5
275.02017	2.5
286.98541	1.5
293.27155	1.2
295.04730	1.7
300.99936	3.9
313.05670	3.0
346.24652	1.0
431.12186	7.1
449.13107	25.8
484.73953	1.1
528.05377	1.2
553.19458	2.2
601.06250	3.8
601.14117	100.0
602.14459	3.7
628.96301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.8
59.85880	0.6
61.98852	2.9
68.99852	0.8
69.31132	3.6
71.01399	2.5
73.02981	0.8
75.00882	0.8
78.95910	1.1
79.95747	12.1
80.96549	0.7
83.01411	0.8
85.02952	1.2
86.97150	0.6
88.98874	0.7
89.02453	1.9
93.21849	0.6
95.01410	0.6
95.95266	1.5
96.96026	100.0
101.02476	1.1
105.01952	3.9
107.01410	1.5
109.02946	0.8
110.97594	3.0
113.02428	0.8
119.03522	1.0
121.02982	5.3
123.00896	3.4
123.04559	0.8
124.01693	5.7
125.02464	15.6
139.00369	0.9
140.01158	0.9
150.03212	1.4
151.00354	1.4
165.01875	2.1
165.05620	3.2
165.12717	0.6
168.00665	8.4
169.01451	19.5
177.05444	1.0
180.04251	1.0
183.02902	0.9
195.06570	1.1
207.13773	0.9
209.11723	2.4
210.54863	0.7
211.02519	31.9
225.07578	0.8
225.14790	0.7
243.06531	0.9
269.14011	5.3
271.04633	42.7
288.31903	0.7
300.99658	1.5
311.09073	1.6
312.09351	0.8
313.05499	1.1
326.11685	3.0
331.06757	9.1
341.13788	1.5
343.11444	0.8
393.06281	0.8
407.07498	1.7
421.08932	2.4
421.14291	0.8
449.19562	3.0
467.01160	0.7
583.19843	1.0
586.12048	0.9
601.14764	57.9
602.15277	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	601.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65631	0.8
59.01382	19.2
61.98838	1.2
69.32442	5.2
71.01394	4.3
79.95766	3.0
84.95145	1.4
85.02976	1.2
89.02489	3.0
89.63577	0.9
95.01389	1.5
96.96020	38.3
99.04537	1.6
101.02500	2.3
107.01400	4.9
111.00946	2.0
121.03021	2.8
122.03813	0.8
123.00965	4.0
124.01668	17.1
124.02492	1.2
125.02464	29.6
136.35927	0.8
136.98912	1.6
139.00345	1.2
140.01189	1.2
141.01944	0.8
145.31476	0.9
150.03284	4.6
151.00458	3.4
153.55547	0.8
165.02066	1.0
165.05576	8.3
167.03560	1.1
168.00662	16.5
169.01448	42.2
170.01982	1.1
183.03081	1.3
193.01404	1.0
193.69753	1.0
207.14023	3.1
209.11929	5.7
211.02496	75.4
212.02943	2.0
213.07805	1.4
225.15085	1.2
251.13057	1.9
264.61646	1.0
269.13937	11.7
271.04611	100.0
272.05020	2.5
286.82239	0.9
287.04691	1.0
300.99741	1.1
331.06711	24.0
332.07220	1.6
449.20273	12.7
449.25305	1.0
541.20197	3.0
583.20544	2.3
601.22125	64.3
602.22247	4.0
625.48761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90883	0.7
59.01387	10.0
61.98829	1.0
67.01895	0.9
69.03439	0.8
71.01392	5.2
79.01904	0.9
81.03420	0.9
83.01364	1.1
83.60165	0.6
85.02948	2.8
88.98817	1.5
89.02447	2.7
95.01377	1.9
97.02950	1.6
101.02478	3.5
104.58964	0.7
107.00750	0.8
107.01409	8.6
111.00913	1.3
113.02451	2.5
115.04020	1.7
119.03477	1.1
120.06533	0.7
123.00001	1.1
123.00897	17.9
123.04505	0.6
124.01691	8.4
125.02464	27.2
136.98788	1.4
137.09906	0.7
139.00348	3.0
140.01157	2.2
141.01976	3.3
151.00378	7.5
166.99818	0.9
168.00671	5.4
169.01440	32.9
170.01726	1.1
171.10271	2.9
172.10574	1.0
183.02966	2.9
209.11922	1.5
209.15457	0.7
210.12245	0.8
211.02501	11.2
211.13347	2.1
225.04002	2.3
243.07846	0.9
253.03978	0.9
271.04642	9.2
285.06067	2.1
313.05646	1.6
419.42056	0.9
462.20105	0.8
569.22479	15.4
570.22375	1.0
601.25061	100.0
602.25238	7.9
608.96472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33216	2.7
59.01382	5.8
61.98837	8.3
69.07935	7.2
69.08344	17.7
71.76639	3.2
73.68332	3.0
79.71558	3.4
83.58200	3.1
87.00886	3.9
93.03433	4.6
107.01403	15.9
120.12624	3.0
121.02995	8.6
122.03798	6.6
123.01015	3.9
124.01672	10.1
125.02454	46.3
139.11293	6.0
149.02490	20.4
150.03250	83.1
151.00385	5.5
152.97070	2.9
160.01729	4.5
161.02464	9.8
161.04568	3.5
162.03276	4.6
164.04839	6.4
165.05585	100.0
166.02707	3.6
168.00650	3.9
169.01443	89.4
169.02805	5.8
173.87100	3.4
175.04015	7.9
176.04752	6.1
177.05612	3.8
179.03549	14.1
180.04283	4.8
181.05090	8.2
183.10277	25.1
194.05896	11.0
195.06630	41.1
202.05156	5.6
209.08238	26.3
303.76636	3.3
343.11932	15.4
426.10391	12.0
437.71030	3.9
455.09067	3.4
463.17206	3.7
493.20407	4.7
538.20001	7.8
539.21442	6.3
601.25287	7.6
602.15277	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.9
61.91390	1.0
61.98829	3.1
69.35516	5.3
72.55709	1.1
78.27717	0.9
97.02943	1.1
107.03776	1.3
108.04585	1.2
110.02499	15.4
112.04107	0.9
120.08192	1.4
121.05321	1.5
122.06125	19.1
124.04018	1.6
134.06117	1.7
136.07632	1.5
139.49620	1.2
144.08257	1.3
146.09868	1.2
148.04033	1.1
150.09210	1.5
159.06857	1.4
160.07675	1.2
171.10292	5.4
172.07683	1.3
174.09282	4.8
178.05069	1.5
194.70625	1.0
196.07655	1.1
196.11304	2.6
198.12910	1.4
209.08652	1.4
209.93892	1.1
210.07999	2.6
211.08751	1.4
211.13426	2.0
212.10748	1.5
213.10133	1.6
214.08798	5.1
214.12384	1.5
223.08928	1.3
224.10844	3.2
225.10362	3.5
226.08888	1.3
227.09538	1.2
237.06790	1.3
238.07468	3.7
239.08276	4.4
239.11932	2.6
240.08998	1.4
241.13573	1.1
242.11905	5.0
251.08238	4.2
252.09059	23.3
252.49344	1.1
253.09830	28.5
254.10503	4.4
255.07703	2.2
255.11342	3.3
265.09808	2.5
266.10608	19.9
267.11395	100.0
268.12183	33.9
269.09427	3.9
269.12799	2.8
270.10196	1.8
283.10898	3.4
284.11615	4.9
285.12466	34.0
286.12976	3.4
311.10410	12.0
312.11066	2.9
327.09921	5.9
328.10736	1.7
329.11453	9.7
330.11966	1.9
364.55630	1.1
374.15070	5.1
374.19269	1.2
388.16739	12.0
389.17569	6.7
390.18240	15.1
391.19293	0.9
404.19852	13.1
416.19839	11.2
417.20435	2.0
432.15469	2.6
433.16443	1.9
434.17245	71.1
435.17569	3.7
450.16669	2.4
460.18661	4.5
461.19672	1.8
478.19824	18.9
479.20279	4.3
480.21567	1.6
539.26678	42.8
540.26892	3.2
557.27325	3.1
583.25598	33.7
584.25775	3.0
601.26727	29.3
602.27075	1.7
604.77612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.5
63.20785	1.2
68.24939	1.1
70.56482	2.5
71.01363	1.4
73.08762	1.3
92.71989	1.3
93.94007	1.4
107.03815	1.5
110.02483	15.0
116.30934	1.2
122.06123	17.3
124.04033	1.8
134.06108	1.9
150.05635	1.5
150.09233	2.7
157.08722	1.8
169.01440	1.8
171.10300	11.9
174.09206	3.8
190.28218	1.5
196.11404	2.2
198.12793	1.7
209.08537	1.9
210.07941	1.7
211.13431	9.7
214.08754	5.3
214.12392	1.6
224.10994	2.5
225.10332	3.3
226.08543	2.0
227.09581	1.4
238.07559	3.1
239.08235	3.9
239.11903	1.8
240.09007	2.7
242.11749	5.2
251.08379	2.6
252.09071	21.3
253.09834	31.2
254.10638	3.9
255.11382	2.0
265.09872	4.7
266.10638	19.0
267.11404	100.0
268.10059	2.0
268.12177	34.2
269.12854	2.7
270.10098	2.3
284.11633	1.9
285.12451	26.6
286.13116	1.3
300.13943	1.4
311.10388	14.8
312.11078	2.3
329.11420	9.6
373.19189	1.8
374.15164	3.5
388.16647	11.9
389.17398	7.4
390.18280	16.1
404.19873	11.2
416.19922	13.4
417.20325	4.7
420.18839	1.7
422.09189	1.4
432.15567	2.9
433.16394	3.2
434.17209	74.3
435.17090	2.5
438.20569	1.6
450.16614	2.4
460.18710	4.8
461.18994	1.6
478.19592	3.2
479.20389	3.2
503.33569	4.2
539.26697	47.7
539.34845	2.7
540.27075	1.9
557.27441	4.5
583.16638	2.9
583.25653	43.0
601.26434	39.9
602.26758	2.6
628.56793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50330	1.5
59.01381	2.7
60.99313	15.1
65.82489	1.9
66.43790	1.4
68.99149	1.6
69.74550	3.0
69.74940	3.2
87.00896	5.3
88.98811	100.0
89.02450	40.0
98.21933	3.1
101.02459	1.6
125.84095	1.5
146.83537	1.5
151.36465	1.7
171.10281	15.0
183.14162	1.7
211.13396	13.5
413.84976	1.9
439.05298	1.8
553.06750	1.7
590.07556	1.9
607.34497	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3905
Annotation	Lup-20(29)en-28-al-3beta-yl caffeate
Peak:m/z	Relative Intensity
71.24110	0.9
71.77718	0.5
76.77866	0.6
91.32719	0.6
117.03477	12.7
118.04245	1.3
119.05036	2.1
121.02987	0.8
145.02969	30.4
163.04054	0.9
196.54378	0.5
212.22887	0.6
229.19305	0.7
279.71652	0.6
437.34476	2.1
547.02277	0.7
601.39044	100.0
602.39288	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	602.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21848	0.5
51.05218	0.4
53.38815	0.5
59.01376	0.4
61.98833	100.0
62.29422	0.4
62.50216	0.5
69.74143	1.7
79.95751	0.4
95.01446	0.7
96.46460	0.5
96.96021	4.2
108.31635	0.4
123.00907	1.5
124.01681	0.9
125.02454	3.4
139.00513	0.4
166.99825	0.6
169.01460	3.5
260.11240	0.6
300.99857	1.5
313.05789	1.4
314.06064	1.1
340.38989	0.5
409.09555	0.6
602.16541	5.8
603.10077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29112	0.7
59.01376	2.3
61.98832	3.7
69.19715	1.8
69.20132	3.2
71.01362	2.2
73.02919	0.9
79.01902	0.8
83.01387	0.9
85.02911	1.2
89.02495	0.9
95.01405	1.5
97.02970	0.8
101.02468	0.8
107.01379	2.5
123.00906	11.6
124.01682	7.8
125.02462	13.1
125.88561	1.0
138.06882	1.1
139.00395	1.9
140.01161	0.7
141.01944	2.5
149.27608	0.8
151.00403	9.7
153.09201	1.8
168.00604	2.0
169.01434	17.9
174.21338	0.8
211.02524	1.2
225.14926	1.3
271.04507	1.9
313.05667	2.0
316.71811	0.8
360.45914	0.7
459.74127	0.7
503.22266	0.9
539.21362	100.0
540.21881	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	602.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
61.98835	4.8
69.03467	0.4
69.41280	1.7
71.01383	2.0
73.02963	0.4
79.01896	1.1
83.01373	0.6
85.02950	1.0
89.02450	0.6
95.01405	1.2
97.02982	0.5
99.86850	0.4
101.02463	1.5
107.01395	3.3
109.02968	0.5
111.00891	1.1
113.02480	0.6
119.04965	0.6
123.00902	11.5
124.01694	6.7
125.02460	12.9
126.02802	0.5
136.98784	0.7
137.02504	0.6
138.06918	0.6
139.00398	1.8
140.01192	1.2
141.01941	2.1
145.01395	0.5
151.00391	8.9
153.01883	0.7
153.09235	1.6
163.04115	0.4
165.05566	0.6
168.00687	2.9
169.01442	20.3
170.01804	0.4
171.72298	0.4
179.03503	0.7
180.07355	0.4
195.06544	0.4
211.02531	2.1
225.15071	0.7
230.80205	0.4
253.03624	0.6
271.04526	2.7
300.99838	1.3
302.00278	0.7
313.05704	2.1
329.05225	0.5
451.12799	2.4
539.21381	100.0
540.21716	5.9
602.25031	1.8
603.26654	4.6
628.83588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82909	2.2
57.37152	2.2
61.98837	100.0
71.39437	2.5
84.66492	1.9
99.41755	1.9
101.88038	1.9
113.00025	2.1
121.76495	2.4
133.66534	1.9
210.39046	2.3
345.07016	2.0
501.71228	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60353	1.2
57.03454	83.0
59.01388	27.0
61.98836	3.8
71.01392	6.0
73.02956	8.3
81.03462	6.5
85.02975	1.4
97.12422	1.5
99.04530	100.0
100.04857	1.6
101.02459	17.0
101.53455	1.7
113.02460	2.6
125.02459	89.7
126.99577	10.8
131.08719	1.8
143.03438	2.4
146.66078	1.6
146.94400	1.6
151.03145	2.2
163.07617	1.6
164.23520	1.3
165.04820	2.4
167.06343	86.1
168.06703	2.3
169.12408	3.4
171.10271	2.1
181.00636	4.8
186.67255	1.5
191.36938	1.4
203.05470	2.0
207.06059	1.4
211.05324	50.3
212.05630	2.8
224.94696	1.3
225.06900	24.3
253.06364	12.6
374.58002	1.8
385.17532	1.4
418.24771	1.7
479.20819	1.8
603.29913	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14766	0.7
59.01385	13.8
61.98829	0.9
71.01389	8.0
71.42301	0.8
78.91898	1.1
80.91691	26.0
87.00848	0.7
89.02469	6.6
96.48882	0.8
96.96048	1.1
98.99413	0.8
99.00677	1.0
101.02445	3.2
107.01404	1.1
109.87012	0.7
113.02468	2.3
117.00495	1.0
119.03523	2.2
121.02976	4.8
125.02497	3.7
141.00452	4.9
141.01711	9.2
143.03487	0.8
145.03047	1.2
151.00447	1.2
153.01738	2.9
165.05791	1.0
169.01413	3.1
169.90503	0.7
179.05670	1.9
179.07095	1.2
201.02434	1.0
224.04802	2.2
241.81296	0.9
255.10284	3.9
267.10153	1.5
269.11969	1.4
270.12619	2.1
283.09766	18.7
289.49911	0.7
290.04477	0.9
294.08963	1.6
295.09836	2.5
296.10477	2.2
297.11328	1.0
298.12158	1.9
309.11563	1.5
310.12140	1.6
311.09293	46.9
312.09656	2.4
323.07770	1.2
325.10889	3.1
326.11621	42.8
327.11954	1.3
341.13962	100.0
342.14325	4.0
363.12424	1.7
365.13858	1.5
378.09442	1.0
393.08374	3.1
408.10513	4.0
409.11377	1.1
423.14160	15.9
435.13062	0.9
441.14230	2.6
455.12048	3.0
483.15094	1.4
561.17981	3.5
603.19666	6.1
603.27362	1.1
604.12885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34462	0.9
51.86899	1.0
54.13994	1.1
59.01382	7.4
61.98839	3.9
71.01388	3.0
71.42766	1.0
72.29961	0.9
75.00806	1.2
81.03461	1.0
82.95418	2.0
84.47835	1.0
85.02965	1.0
87.00851	1.1
89.02452	2.7
93.03460	6.6
96.96030	2.8
101.02488	2.1
107.01405	2.4
107.86660	0.9
109.03031	1.1
111.00890	2.2
113.02434	1.6
119.03468	1.2
121.02962	22.5
121.03761	1.8
122.03744	13.9
123.00871	5.1
123.04504	1.4
124.01682	7.1
125.02470	11.8
125.53264	1.0
133.01491	1.4
133.02968	2.9
134.03754	2.2
135.04546	7.3
136.01733	2.6
137.02460	3.6
137.06097	1.2
139.00357	1.3
140.01189	1.5
147.00928	1.3
148.01740	1.1
149.02449	33.0
149.03609	2.0
149.06082	3.4
150.03242	90.8
151.00349	3.2
151.03688	1.7
153.05731	1.3
161.02628	1.0
164.04816	11.8
165.01944	14.4
165.05586	100.0
166.06366	56.9
166.07843	1.3
167.07094	2.0
168.00719	3.9
169.01434	18.3
175.03996	1.1
177.01942	1.5
177.05632	1.9
179.03520	10.0
179.07132	1.8
180.04298	17.5
181.05156	1.8
181.08722	36.2
181.99840	1.0
182.01537	1.2
194.05869	2.8
195.06636	93.6
196.06976	2.2
205.05023	1.8
205.17963	1.0
209.08218	1.1
211.02466	2.0
225.07661	7.0
271.04630	1.9
275.01938	1.0
289.07208	2.6
297.07639	2.0
299.09238	2.2
300.99582	1.2
301.10852	1.7
329.10333	13.6
343.11703	4.5
344.12701	9.0
359.15036	38.6
373.12955	47.4
374.13071	1.4
407.17245	4.1
421.15060	8.3
451.12497	15.8
540.14209	1.9
540.21100	2.0
555.22473	17.5
567.17377	3.8
567.81757	1.2
603.04523	1.4
603.13666	19.2
603.24487	2.7
604.13885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86410	0.6
59.01390	0.8
60.05427	0.6
61.98832	1.8
69.15842	4.6
80.91674	1.8
84.22508	0.7
93.03456	3.4
98.22602	1.5
116.92880	1.0
119.01351	0.7
121.02979	8.1
122.03744	14.0
123.04464	1.1
125.02444	1.1
133.03008	0.9
134.03661	0.7
135.04564	1.3
136.01668	1.4
137.02483	2.2
147.00903	1.0
149.02454	19.9
150.03241	90.9
151.03723	2.0
156.78169	0.7
164.04807	6.2
164.06068	1.2
164.24178	0.8
165.01965	7.6
165.05586	100.0
166.06383	13.3
167.07150	0.7
169.01442	1.5
177.28502	0.8
179.03488	4.7
180.04295	11.5
181.05086	7.6
181.08704	6.0
181.23720	0.6
184.16130	0.6
194.05884	1.7
194.45511	0.7
195.06641	85.3
196.07339	7.4
197.08199	1.9
202.80797	0.7
210.05200	0.7
211.09798	5.6
225.07747	4.5
273.79639	0.7
283.09839	0.8
296.11227	1.1
301.10925	1.2
311.09253	3.1
326.11566	2.0
329.10287	10.5
341.13998	5.2
343.11896	6.8
344.12595	6.3
359.14996	30.6
360.15414	1.1
373.12790	2.8
380.81845	0.8
407.17117	1.6
421.15225	1.6
423.14645	0.7
426.12479	0.7
540.21777	1.5
555.22388	5.8
603.13361	0.8
609.78882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
59.01846	0.7
61.98833	2.4
64.21275	0.8
69.03448	1.0
69.15984	5.4
71.01392	5.5
73.02943	1.6
79.01897	1.0
85.02985	2.0
87.00888	0.9
89.02444	3.1
95.01395	3.3
96.09331	0.7
96.96017	1.2
97.02970	1.1
98.21885	1.5
101.02444	3.2
107.01404	6.7
109.02961	1.7
111.00894	2.2
113.02439	2.4
115.00373	1.1
119.03519	0.8
123.00899	24.2
123.04517	0.9
124.01688	14.0
125.02467	29.1
125.17728	0.8
126.02802	1.8
135.04524	2.9
136.98808	1.3
137.02431	2.3
137.06030	1.0
138.06888	1.0
139.00356	2.2
140.01163	2.5
141.01958	4.1
149.02443	1.1
150.03229	3.3
151.00389	15.3
152.00723	0.9
153.01909	1.2
163.04128	0.8
165.01921	1.8
165.05573	3.3
168.00635	5.5
169.01437	41.9
170.01753	1.7
179.03513	1.5
185.76926	0.8
195.06622	2.3
209.04633	1.0
211.02505	7.7
257.12073	1.0
271.04572	10.2
275.01923	1.2
300.99734	1.1
301.10883	1.1
313.05667	4.0
333.13184	1.5
359.14468	0.7
360.70435	0.9
451.12570	38.4
452.12656	2.2
465.06555	1.1
487.16162	2.6
539.21240	1.1
540.15143	0.7
540.21698	41.2
541.22351	2.9
603.14294	2.9
603.26666	100.0
604.27039	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	603.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
59.01846	0.7
61.98833	2.4
64.21275	0.8
69.03448	1.0
69.15984	5.4
71.01392	5.5
73.02943	1.6
79.01897	1.0
85.02985	2.0
87.00888	0.9
89.02444	3.1
95.01395	3.3
96.09331	0.7
96.96017	1.2
97.02970	1.1
98.21885	1.5
101.02444	3.2
107.01404	6.7
109.02961	1.7
111.00894	2.2
113.02439	2.4
115.00373	1.1
119.03519	0.8
123.00899	24.2
123.04517	0.9
124.01688	14.0
125.02467	29.1
125.17728	0.8
126.02802	1.8
135.04524	2.9
136.98808	1.3
137.02431	2.3
137.06030	1.0
138.06888	1.0
139.00356	2.2
140.01163	2.5
141.01958	4.1
149.02443	1.1
150.03229	3.3
151.00389	15.3
152.00723	0.9
153.01909	1.2
163.04128	0.8
165.01921	1.8
165.05573	3.3
168.00635	5.5
169.01437	41.9
170.01753	1.7
179.03513	1.5
185.76926	0.8
195.06622	2.3
209.04633	1.0
211.02505	7.7
257.12073	1.0
271.04572	10.2
275.01923	1.2
300.99734	1.1
301.10883	1.1
313.05667	4.0
333.13184	1.5
359.14468	0.7
360.70435	0.9
451.12570	38.4
452.12656	2.2
465.06555	1.1
487.16162	2.6
539.21240	1.1
540.15143	0.7
540.21698	41.2
541.22351	2.9
603.14294	2.9
603.26666	100.0
604.27039	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	603.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69072	0.6
55.01896	0.7
57.03460	0.7
59.01385	9.1
61.14584	0.6
61.98830	1.8
64.31180	0.6
69.03466	1.0
69.72337	0.5
71.01389	4.7
71.42702	0.6
73.02966	2.1
79.01902	1.3
81.03465	1.0
82.25039	0.7
83.01418	1.0
85.02978	2.2
88.98751	0.6
89.02472	1.8
89.24311	0.6
93.03494	1.0
95.01377	3.2
96.95997	0.6
97.02967	2.1
98.62823	0.7
101.02448	3.7
107.01402	8.3
109.02987	1.4
109.35327	0.6
111.00893	1.5
113.02459	1.9
121.02969	1.1
123.00900	20.4
124.01674	10.0
124.99370	0.6
125.02459	37.2
126.02748	0.7
135.04582	1.2
136.98863	1.0
137.02455	2.9
139.00383	3.6
140.01180	2.9
141.01964	3.7
149.02464	5.5
150.03233	3.9
151.00383	11.1
151.04027	1.0
153.01979	1.1
161.02495	1.1
164.04857	1.1
165.01895	5.5
165.05588	3.8
166.06339	1.2
168.00682	5.1
168.01903	0.9
169.01442	47.9
170.01717	1.1
177.02071	0.7
179.03528	2.7
180.04282	2.5
181.08742	0.7
183.02930	0.7
195.06653	5.3
209.04646	0.8
211.02492	7.1
223.02626	0.7
225.04083	2.2
225.07729	3.3
271.04614	11.7
273.90738	0.8
289.07254	1.1
300.99750	0.8
313.05600	5.3
314.11655	2.7
329.14032	4.8
365.18228	2.4
433.07755	1.3
440.18750	0.9
451.12573	14.4
451.18573	1.3
452.13135	0.8
465.06702	0.7
471.19183	1.2
499.18005	3.6
517.19397	3.4
555.23114	0.8
559.20502	2.4
603.13300	8.7
603.26794	100.0
604.12524	1.1
604.27325	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99299	6.7
65.43011	3.9
68.55612	3.8
70.74866	3.8
87.00868	5.0
88.98809	44.8
89.02451	100.0
103.92031	4.6
162.05260	4.9
363.83780	4.5
621.42871	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	603.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48259	1.9
56.95264	2.1
59.01379	37.0
59.07396	1.7
61.98826	8.0
63.80689	2.0
67.00481	1.9
71.01391	3.6
79.63196	2.5
89.02480	4.7
128.75641	2.1
171.10275	8.1
177.30396	1.9
193.65204	2.0
201.46332	2.1
209.11835	100.0
210.12195	2.4
227.12930	9.2
423.25525	3.3
473.72702	2.0
609.04956	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	604.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75831	0.5
54.13116	0.7
58.31543	0.6
59.01383	1.4
61.98831	7.1
67.01894	1.0
68.83337	0.6
69.03445	0.7
69.13447	2.5
69.13853	1.3
70.46242	0.5
71.01379	2.1
79.01884	1.2
83.01430	0.7
95.01394	1.7
97.02921	1.0
98.22751	1.2
98.90366	0.6
101.02471	1.5
107.01371	3.0
111.00860	1.1
123.00907	12.1
124.01682	10.0
125.02462	14.5
136.98743	0.8
139.00400	2.0
140.01196	1.8
141.01891	1.3
150.03207	0.6
151.00407	7.7
168.00653	3.3
169.01440	22.7
169.07449	0.5
179.03510	0.7
187.01297	0.7
211.02509	1.1
214.51953	0.6
271.04657	1.0
273.59131	0.7
313.05777	3.3
386.95544	0.8
432.15359	0.6
453.10272	9.0
465.06647	2.4
541.22986	100.0
542.23206	6.3
569.18738	1.7
605.11420	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	604.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
60.49432	0.2
61.98837	100.0
71.01389	0.2
107.01425	0.4
116.79542	0.2
123.01120	0.2
125.02474	1.1
126.02806	0.2
137.02480	0.2
149.02461	0.3
150.03242	1.6
151.00429	0.2
151.03705	0.5
154.47932	0.2
165.05597	1.7
166.05977	0.5
169.01463	1.3
170.01845	0.6
171.01994	0.3
189.09747	0.2
195.06703	1.0
196.07111	0.7
211.02629	0.3
271.04913	0.2
280.74777	0.2
343.11584	0.2
359.15030	0.2
360.15253	0.2
465.06711	0.2
466.07227	0.3
541.23163	1.2
604.15753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70058	1.0
59.01382	0.9
61.98835	100.0
80.74576	0.8
119.02006	0.8
217.95006	0.9
243.27104	1.0
305.41318	0.9
439.73080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89155	90.5
59.09345	87.0
59.46641	80.4
64.08985	80.1
67.51016	79.0
79.04654	93.0
96.38372	95.2
193.86424	87.3
197.72476	99.0
224.85623	87.0
229.92883	88.2
236.54184	94.2
304.88052	91.6
317.36938	96.1
455.81430	97.2
505.14557	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	604.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06962	92.6
71.20472	83.3
82.57836	80.9
86.10172	81.8
111.97817	82.8
119.90427	78.0
136.39305	86.0
156.08336	77.9
230.53940	85.9
277.21756	90.9
295.28772	100.0
489.01074	95.4
511.00168	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.2
69.08115	6.9
71.01387	6.6
73.02975	1.0
75.16754	1.1
75.17183	1.0
81.03484	1.6
82.00562	1.2
85.02982	1.5
93.27659	1.0
95.01411	2.2
97.02950	2.8
98.15083	1.2
100.32957	1.2
101.02437	2.0
107.01400	14.7
111.00896	2.3
113.02446	2.3
123.00908	19.4
124.01682	26.2
125.02460	82.6
127.00381	1.4
127.17145	1.1
128.84799	1.1
136.98796	1.8
137.02495	1.1
138.03300	1.1
139.00386	4.3
139.04036	4.0
140.01147	3.4
141.01949	2.5
149.02495	1.8
151.00381	8.0
153.01987	1.9
154.47588	1.1
166.08501	1.1
166.99925	2.4
167.03589	2.0
168.00648	10.6
169.01440	99.1
170.01706	1.3
179.03448	2.0
183.02980	3.8
183.67952	1.1
193.01402	4.8
211.02571	6.9
223.02452	1.5
235.02449	1.3
241.03391	1.8
248.49017	1.5
295.04709	2.4
297.06274	5.3
311.25833	1.2
313.05667	27.5
314.06082	2.0
435.09482	1.9
453.10364	5.7
465.06763	83.6
466.07040	5.2
479.08063	2.1
605.11536	100.0
606.11993	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	605.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09605	0.9
69.22881	5.4
69.74777	1.0
70.73006	1.0
71.01395	6.2
79.01867	1.2
81.03495	1.2
82.00614	1.2
83.01358	1.6
85.02937	1.7
95.01354	2.5
96.96033	2.0
97.03000	1.2
101.02453	1.3
107.01411	9.7
109.02981	1.3
111.00891	1.8
113.02492	1.5
119.91555	1.0
123.00899	12.8
124.01668	13.7
125.02462	58.9
126.50974	1.1
128.35426	1.0
135.04526	1.3
137.02477	1.4
138.03265	1.2
139.00374	2.2
139.04060	1.8
140.01134	1.6
141.01920	2.6
149.02460	1.5
151.00392	7.8
165.02010	1.3
166.99889	1.3
167.03543	1.0
168.00653	5.2
169.01443	83.0
179.48351	1.1
183.03047	1.7
193.01396	6.7
211.02515	5.4
223.02425	2.8
247.02420	1.6
252.92665	1.0
253.03444	1.3
295.04456	2.5
297.06186	4.4
313.05667	32.0
326.74594	1.5
453.10526	11.4
465.06769	100.0
466.07083	4.3
605.11536	30.6
606.12036	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	605.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55058	0.9
54.56868	1.0
57.64107	1.3
59.01374	3.3
63.86584	1.1
65.42013	1.3
67.11205	1.0
69.03456	1.3
71.01368	4.4
74.54433	1.0
76.86769	1.0
78.15728	1.0
79.01892	1.2
81.03447	1.6
86.09348	1.3
87.00891	2.1
95.01382	2.7
96.96024	1.2
97.02923	1.6
101.02449	1.5
107.01392	9.8
110.42126	1.1
113.02488	1.1
123.00903	11.8
124.01688	19.7
125.02461	65.3
126.02789	2.0
135.04541	1.8
139.00360	2.7
139.04021	9.1
140.01149	2.3
141.01938	2.9
143.99591	1.1
145.64655	1.0
149.02505	1.2
151.00407	8.6
163.03957	1.7
165.01942	2.0
165.05627	1.8
168.00645	5.0
169.01439	62.6
170.01781	1.7
179.03438	2.4
181.05209	1.4
193.01416	1.6
211.02486	2.4
225.07541	1.1
231.45755	1.2
235.65451	1.1
253.03419	1.3
285.62921	1.5
295.04538	1.8
313.05704	9.9
355.72653	1.4
435.09235	3.9
453.10034	8.5
465.06894	2.0
604.26599	1.5
605.11523	100.0
606.11322	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36230	5.3
59.01385	12.3
61.98850	8.6
69.28761	26.3
70.24281	5.8
71.01398	9.5
73.02955	9.4
82.64966	5.1
82.95448	7.3
87.03719	4.8
96.96001	19.4
110.36111	5.2
125.02500	11.6
135.04550	9.1
136.01675	86.7
150.03299	6.0
151.04041	79.9
165.05588	10.6
166.05867	6.4
169.01450	7.3
196.07085	6.5
281.90042	6.9
357.13440	100.0
358.13583	9.1
529.65723	6.4
609.60376	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	605.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52133	10.0
59.01385	85.6
61.98837	95.0
63.02373	16.2
65.00340	16.9
71.01379	61.7
74.68978	8.5
83.01420	11.1
85.02970	9.9
89.02464	67.9
93.81264	10.0
93.87234	8.5
101.02471	24.7
107.01411	27.5
107.18450	9.1
113.02491	19.5
119.03532	24.6
123.00908	21.1
124.01672	19.0
125.02483	100.0
137.02400	18.0
151.00381	54.7
161.26053	10.7
169.01436	92.4
178.99889	98.4
179.05588	32.2
189.01962	10.5
193.01379	24.5
227.03491	19.8
229.01349	13.0
231.03117	18.7
453.09357	17.5
455.99490	11.4
515.21484	13.1
553.33826	11.8
605.11646	66.4
605.20715	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	605.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04262	3.4
57.80892	3.4
59.01380	18.0
61.98847	4.4
62.00019	2.8
67.37514	3.1
70.27991	3.6
71.01389	6.8
85.02962	4.5
88.98904	3.3
95.01392	4.8
101.02454	6.8
103.81754	3.4
104.52135	3.2
107.01407	4.8
123.00919	16.3
124.01714	5.8
125.02464	18.9
151.00404	12.4
151.04013	4.1
169.01434	26.6
178.99889	3.7
196.97681	4.6
276.92047	3.8
381.18243	4.8
545.19049	13.7
569.26062	100.0
570.26270	6.4
576.03271	3.7
605.33893	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	605.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10612	1.0
71.19041	1.4
130.23399	1.1
145.03017	2.3
184.47282	0.9
213.33943	1.2
225.14145	1.1
394.12177	1.4
443.19388	1.4
457.20596	2.5
459.18024	2.5
471.18307	1.5
473.19974	4.3
485.19666	1.6
486.20532	4.6
499.17944	2.8
501.23505	2.5
511.21567	2.9
513.19141	3.1
514.20233	7.2
518.19824	1.5
529.22510	100.0
530.22791	5.8
532.21570	1.3
533.21991	1.8
573.21472	2.4
605.25085	1.5
605.42334	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	605.422
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30364	0.5
71.18670	0.5
72.89682	0.4
78.95907	1.0
117.02646	1.0
117.03479	20.3
118.04289	2.1
119.05048	2.9
121.02951	1.9
123.04514	0.6
133.02922	0.5
145.02972	57.1
146.03328	1.3
163.04074	0.6
170.78830	0.4
311.23618	0.5
605.42188	100.0
606.42517	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	605.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86145	1.2
82.68091	0.9
99.68222	0.7
113.10698	0.7
117.03481	16.0
118.04327	1.4
119.05013	2.2
121.02982	1.2
123.04579	0.9
139.17395	0.9
145.02966	48.8
218.20363	0.8
255.19254	0.8
260.78827	0.8
350.75012	0.8
386.88535	0.8
605.42194	100.0
606.42566	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	606.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18885	0.3
61.98834	100.0
62.76847	0.3
68.13180	0.3
69.24257	0.9
69.24664	0.6
71.01393	0.3
78.95940	0.3
88.47365	0.3
92.83893	0.3
98.22563	0.5
158.79753	0.3
200.36905	0.3
212.84586	0.3
262.37189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23058	0.3
61.98835	100.0
62.08145	0.4
63.03334	0.3
69.10632	0.7
69.11032	1.4
72.76989	0.3
73.06813	0.3
74.99422	0.3
98.22613	0.9
112.03854	0.4
117.66410	0.4
126.02196	0.3
154.43954	0.3
234.50934	0.4
259.93658	0.4
376.50623	0.3
429.72522	0.3
445.42627	0.4
575.39539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65264	3.0
59.01381	23.3
63.02390	12.4
65.00320	7.9
69.11416	24.7
69.62705	3.2
71.01380	16.3
71.16997	3.3
75.86890	3.4
78.25869	3.6
83.01389	10.8
85.02963	4.2
86.97012	3.4
89.02457	9.9
96.95996	21.3
101.02446	11.5
105.29589	3.7
107.01403	22.0
109.02873	5.2
113.02473	4.1
119.03462	3.6
119.90287	3.2
121.02924	3.7
123.00877	4.2
123.04516	3.5
124.01669	4.5
125.02462	29.3
131.03514	3.3
137.11116	3.7
141.01958	5.0
149.02617	3.5
151.00388	53.6
154.53818	3.8
165.01871	5.0
169.01477	29.6
175.03984	7.3
177.01962	5.6
178.99867	100.0
193.01447	7.1
197.02292	3.9
203.03506	7.7
209.11842	51.6
215.03491	6.0
227.03514	11.7
229.05063	9.0
231.02911	16.3
235.08316	4.3
241.01460	5.7
242.02284	4.3
243.02953	8.5
253.04938	3.3
255.02954	13.8
257.04520	13.5
259.02509	24.0
270.76190	3.4
273.04010	5.2
281.04385	4.4
283.02512	53.5
287.02020	20.7
299.01770	4.6
301.00092	8.2
301.03534	9.3
309.03903	10.2
311.02060	7.3
323.05762	6.3
335.05615	4.7
339.05057	7.4
351.05032	8.8
377.02893	8.8
391.04654	8.8
397.13458	20.2
407.04034	8.0
409.05679	40.5
410.06036	4.3
415.14490	14.0
419.03979	9.9
435.03314	8.1
437.04944	4.0
443.39032	3.6
445.02155	8.3
463.03146	40.9
464.03677	6.5
481.04181	52.1
502.19992	6.3
503.05972	7.9
503.20535	6.1
527.06403	4.6
545.07141	5.0
553.04626	4.4
571.04999	10.4
589.06152	7.2
600.69604	4.1
606.33405	6.6
607.12213	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	607.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65264	3.0
59.01381	23.3
63.02390	12.4
65.00320	7.9
69.11416	24.7
69.62705	3.2
71.01380	16.3
71.16997	3.3
75.86890	3.4
78.25869	3.6
83.01389	10.8
85.02963	4.2
86.97012	3.4
89.02457	9.9
96.95996	21.3
101.02446	11.5
105.29589	3.7
107.01403	22.0
109.02873	5.2
113.02473	4.1
119.03462	3.6
119.90287	3.2
121.02924	3.7
123.00877	4.2
123.04516	3.5
124.01669	4.5
125.02462	29.3
131.03514	3.3
137.11116	3.7
141.01958	5.0
149.02617	3.5
151.00388	53.6
154.53818	3.8
165.01871	5.0
169.01477	29.6
175.03984	7.3
177.01962	5.6
178.99867	100.0
193.01447	7.1
197.02292	3.9
203.03506	7.7
209.11842	51.6
215.03491	6.0
227.03514	11.7
229.05063	9.0
231.02911	16.3
235.08316	4.3
241.01460	5.7
242.02284	4.3
243.02953	8.5
253.04938	3.3
255.02954	13.8
257.04520	13.5
259.02509	24.0
270.76190	3.4
273.04010	5.2
281.04385	4.4
283.02512	53.5
287.02020	20.7
299.01770	4.6
301.00092	8.2
301.03534	9.3
309.03903	10.2
311.02060	7.3
323.05762	6.3
335.05615	4.7
339.05057	7.4
351.05032	8.8
377.02893	8.8
391.04654	8.8
397.13458	20.2
407.04034	8.0
409.05679	40.5
410.06036	4.3
415.14490	14.0
419.03979	9.9
435.03314	8.1
437.04944	4.0
443.39032	3.6
445.02155	8.3
463.03146	40.9
464.03677	6.5
481.04181	52.1
502.19992	6.3
503.05972	7.9
503.20535	6.1
527.06403	4.6
545.07141	5.0
553.04626	4.4
571.04999	10.4
589.06152	7.2
600.69604	4.1
606.33405	6.6
607.12213	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	607.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.1
69.55771	6.1
69.56093	8.3
72.01996	4.0
80.54116	4.0
81.56253	4.4
87.00870	4.3
93.86975	3.7
98.22614	4.5
99.00888	3.9
107.05053	11.9
119.05073	3.9
119.46581	3.9
123.00908	4.5
125.02435	5.2
133.06551	4.8
135.02988	7.1
135.04535	8.8
137.02512	4.1
145.01457	13.2
149.04794	3.8
149.06042	20.6
165.05525	5.3
166.99890	4.3
169.01413	12.7
177.05606	17.9
179.03517	37.7
205.03561	7.7
229.84421	4.2
231.03076	4.1
239.05611	100.0
249.46288	4.7
280.88345	5.1
300.99896	13.4
313.75357	5.7
328.43866	4.5
491.11609	4.5
501.54047	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	607.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.2
69.32198	7.7
71.01379	10.4
73.21320	2.1
87.00852	2.2
87.01425	2.0
99.00906	3.4
115.00370	27.6
123.00919	2.4
125.02466	4.4
131.03513	3.5
133.01456	100.0
133.03020	4.4
135.02975	3.1
135.04541	22.6
145.01413	3.4
149.04572	29.5
161.02446	5.4
161.93864	2.1
169.01434	5.7
179.03502	29.4
195.02966	2.2
252.19608	2.2
264.04129	2.0
275.01987	2.0
295.04489	4.3
301.00015	5.6
311.07620	5.8
450.99448	2.4
500.75140	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	607.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88276	4.0
55.70067	4.2
57.51674	4.0
59.01373	17.8
62.11340	4.1
66.24513	3.8
70.31014	4.2
71.01378	14.4
71.43823	4.9
83.88811	3.8
87.00884	6.0
89.02458	7.0
101.02439	5.8
111.00854	16.2
113.02444	10.7
121.02948	5.8
125.02432	18.3
135.04533	9.5
147.04610	4.4
150.03191	13.4
159.04518	5.7
160.05318	24.6
161.06038	7.7
165.05602	21.1
169.01416	22.5
175.07701	28.0
177.05592	5.5
178.06329	18.6
191.03482	12.1
192.07913	12.5
209.11847	25.9
272.30295	4.6
300.99988	4.8
329.13916	100.0
397.13330	7.4
403.13950	7.3
415.14294	7.9
559.32336	4.8
607.12653	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	607.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.78901	12.4
69.03455	11.3
69.29813	71.3
71.01391	44.4
73.02946	28.4
83.01370	12.4
85.02957	13.3
89.02445	26.6
89.35876	14.1
101.02446	41.0
113.02465	26.8
125.02429	19.0
136.01712	15.5
149.12109	10.2
151.04010	12.7
161.04555	12.0
185.72635	11.0
211.02644	12.9
283.09665	16.1
311.09341	37.9
326.11630	26.7
341.13879	38.1
485.18222	13.9
491.19128	12.7
503.19391	19.2
507.63434	13.1
533.20404	23.3
545.20105	22.8
607.15833	23.6
607.34839	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	607.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34917	19.2
59.01385	95.7
62.41301	16.8
65.00308	17.5
69.19984	71.6
69.20394	46.5
71.01385	53.3
83.01400	30.5
84.95140	27.8
85.02940	25.5
89.02449	34.5
96.95992	19.2
101.02436	37.3
107.01389	30.0
113.02453	28.9
125.02500	36.3
136.01703	20.8
150.33591	21.7
151.00429	87.6
151.04004	39.9
159.04533	20.4
169.01451	34.7
178.99916	100.0
199.03922	24.0
220.75464	21.4
259.02393	46.5
281.08295	21.9
283.02460	49.7
287.01733	33.2
329.14212	22.9
339.58163	18.6
409.05515	39.4
463.03186	30.2
473.18152	51.1
481.04034	38.8
485.18298	24.6
491.19275	46.9
503.19135	42.4
505.12189	22.3
533.20251	84.9
545.20172	48.0
607.35077	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46720	2.0
55.01894	2.8
56.16724	1.9
57.03448	5.5
59.01385	100.0
61.98841	7.3
62.33433	2.4
69.03472	2.5
69.14967	12.1
70.70771	1.9
71.01389	42.6
72.99321	2.6
73.02953	9.5
78.95920	4.9
81.23031	1.9
82.19107	1.7
82.95448	2.2
83.01394	5.3
85.02952	18.0
87.00900	4.0
89.02453	29.2
92.76711	1.8
95.01393	4.6
96.96038	4.1
98.21891	4.7
99.00878	4.0
101.02448	25.5
113.02473	17.5
116.92881	2.6
119.03531	13.6
119.05040	3.5
121.03015	2.6
123.00925	2.9
124.01690	4.6
125.02464	7.9
125.61138	2.2
129.01924	2.6
135.04538	4.3
143.03508	4.6
150.03249	5.6
150.05670	3.6
155.10829	4.6
159.02979	2.5
161.04611	9.3
163.03961	3.4
165.05573	9.3
169.01425	6.8
177.01849	2.2
179.05682	3.2
189.06732	2.4
209.11807	4.7
245.15483	3.0
267.14069	3.6
283.17047	13.8
300.99997	2.4
301.18170	2.9
359.28006	8.3
381.18365	2.8
382.18411	4.7
383.18878	6.2
401.06345	2.0
415.45425	2.2
427.28314	5.5
444.20801	2.2
445.29617	7.7
503.32394	53.9
504.32779	5.7
521.33380	20.7
522.33630	2.3
569.26001	8.5
589.24384	3.2
589.33234	12.1
607.25873	10.2
607.35022	62.4
608.35474	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	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70527	2.3
53.55657	3.0
57.03444	6.0
59.01384	100.0
61.98837	18.6
63.90501	2.8
69.03465	4.0
70.43092	6.5
71.01387	49.8
71.11813	2.5
72.99285	2.8
73.02948	10.9
78.95902	5.4
83.01405	6.1
85.02951	21.1
87.00861	3.9
89.02444	28.8
95.01366	6.2
96.96027	4.1
97.02988	3.4
99.00880	3.5
101.02451	29.0
113.02461	24.7
119.03500	11.7
123.08150	3.4
124.01640	3.7
125.02453	8.1
134.70195	2.9
135.04517	11.6
138.09291	2.8
139.11261	2.8
143.03499	2.7
161.04582	7.6
169.01414	9.1
179.03413	2.7
179.05653	9.2
183.10262	5.7
183.13907	3.3
195.06569	5.2
201.85991	3.2
205.09830	6.4
209.11958	3.9
231.07750	10.7
249.11407	2.9
271.04636	2.7
277.65253	2.9
294.16254	3.1
301.00006	4.6
301.18225	3.1
320.13959	10.5
324.81018	3.1
359.28122	5.1
401.19107	2.6
426.20139	5.3
444.21359	4.8
445.29504	7.7
503.24466	2.5
503.32214	58.5
504.32684	4.7
521.33527	17.8
563.33813	3.9
589.33984	6.4
607.26910	11.3
607.35785	39.3
608.34747	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62203	1.8
64.53024	2.1
69.03455	8.1
71.01378	3.2
71.80777	2.2
83.86073	2.3
92.71968	2.0
96.70508	2.5
111.08174	4.7
115.55850	2.4
123.08183	3.1
123.66187	2.1
125.09747	4.4
141.65883	2.2
151.11285	6.7
161.09741	7.7
179.10803	24.4
197.11845	100.0
211.13365	2.4
223.09665	5.0
241.10843	9.6
291.19641	3.4
297.13489	5.4
309.20877	11.3
315.14517	13.2
457.99100	2.6
607.34918	92.0
608.35358	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	608.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46157	0.4
59.01378	2.4
61.98829	2.1
63.31144	0.5
67.01870	0.8
69.03473	1.1
69.08076	3.0
71.01392	1.7
73.02946	0.9
75.33419	0.5
81.03479	0.7
83.01402	0.6
85.02957	0.5
87.00876	0.5
89.02459	0.8
94.02989	8.0
95.01409	0.6
97.02990	1.4
98.21891	1.4
101.02451	1.2
107.01398	12.1
111.00861	0.7
113.02471	0.7
123.00912	0.7
124.01697	4.6
125.02460	55.6
126.02805	0.9
136.98842	0.6
137.09724	0.6
140.01166	1.1
151.00374	1.3
155.10800	6.3
156.44534	0.5
168.00670	1.0
169.01437	100.0
170.01790	1.5
175.04019	1.0
178.99889	2.1
179.10832	0.6
199.09764	3.6
202.05139	1.5
241.10846	1.2
246.03937	1.3
283.11923	2.0
342.02148	0.6
343.13919	1.8
426.17355	0.5
438.17749	6.8
439.17950	0.6
441.34488	0.5
447.77786	0.5
456.18799	4.7
608.19897	20.3
608.34521	0.9
609.20331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.1
59.01384	100.0
61.98833	19.3
69.03459	5.3
71.01389	85.7
73.02949	12.0
75.00857	5.3
82.95428	5.0
83.01428	6.5
85.02963	38.5
85.54154	4.1
87.00883	5.4
89.02454	60.1
95.01408	12.6
99.00891	5.9
101.02455	41.4
107.01437	5.8
113.02467	51.0
114.02788	7.9
119.03495	23.4
123.00883	5.6
125.02465	36.6
129.10190	5.3
135.04552	11.2
143.03574	8.8
148.04060	8.7
149.04677	5.4
150.05566	6.0
161.04631	8.1
168.00655	5.2
169.01434	26.5
179.05624	7.8
245.15643	5.6
247.17050	13.6
275.01904	8.8
283.17239	5.5
303.19565	5.2
383.18372	6.9
400.18719	6.2
401.19196	7.1
419.91214	4.5
445.29620	14.3
446.29825	9.4
447.31116	8.9
499.08591	5.1
564.24762	5.6
589.34229	5.9
590.34229	11.0
607.34973	20.5
608.35315	44.3
609.17517	14.2
609.36914	22.1
614.69092	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37120	1.2
57.03455	7.2
59.01382	33.5
59.34263	1.2
61.76706	1.4
62.47085	1.2
63.02392	6.8
65.00340	10.3
71.01395	18.0
73.02941	2.3
75.64251	1.3
83.01405	9.1
83.05022	5.4
85.02974	5.3
87.00874	1.6
89.02467	18.4
93.03475	1.6
95.01431	2.3
97.70479	1.1
101.02460	10.2
102.97234	1.2
107.01403	16.5
109.03017	2.3
113.02477	10.3
117.15248	1.2
119.03514	8.7
121.02990	1.8
123.00896	3.0
123.04585	1.6
124.01601	2.4
125.01542	1.7
125.02467	30.7
135.00937	1.3
137.02411	1.9
143.03467	1.6
145.06499	1.7
149.04593	1.7
151.00392	42.6
152.01027	1.4
153.01971	2.4
159.04552	2.2
161.02484	3.0
161.04565	3.0
165.01926	11.9
169.01451	12.5
175.04082	1.9
176.04745	2.0
177.01956	4.4
178.99883	66.1
179.05609	3.0
180.40211	1.3
181.05118	2.3
183.04501	3.4
185.02419	1.8
185.06009	1.6
187.04050	3.0
190.99838	1.5
191.03448	2.8
193.01384	7.4
194.05962	2.5
199.04082	1.9
201.05653	1.7
203.03545	6.4
205.01390	1.7
209.08211	3.0
211.04056	2.9
211.13474	2.4
213.05594	2.7
215.03525	4.2
227.03549	6.0
229.05013	3.0
230.02142	2.0
231.03015	6.5
233.00940	2.8
239.03526	6.3
241.05093	7.2
243.03001	5.3
245.04549	5.2
251.03725	1.7
255.03099	3.1
257.04514	7.0
259.02335	2.1
259.06158	2.2
265.04874	2.6
266.02338	1.8
267.03043	9.5
267.31522	1.8
269.01031	2.0
269.06985	2.5
271.02426	1.9
282.01736	2.1
283.02487	5.3
283.05673	1.7
285.04019	11.4
293.01007	1.6
293.04105	2.0
295.02451	9.6
301.03537	3.1
303.05139	5.9
305.04651	2.1
311.02063	1.9
311.05493	4.8
313.03522	15.3
321.00467	2.1
335.05435	3.6
337.03506	2.3
339.01334	9.2
347.05612	3.2
361.03568	2.7
375.04980	5.1
379.04684	2.3
391.04367	3.4
393.05859	2.6
399.05017	1.9
399.14673	3.0
403.04666	5.0
407.04153	2.9
409.05731	5.7
411.07178	19.4
419.04178	3.9
421.05716	7.5
439.51181	1.4
447.03644	29.9
447.09518	3.0
448.03955	3.5
457.17160	1.9
463.07053	4.2
465.04663	100.0
466.04901	6.2
483.05759	7.3
487.06793	13.9
529.07855	14.9
555.05890	14.9
573.06616	11.9
591.08002	1.6
608.34991	3.7
609.08929	7.1
609.18488	6.6
609.36414	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	609.1254
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
57.03449	12.3
71.42221	1.8
77.31960	1.9
81.19690	1.8
83.01391	3.3
93.03448	2.7
95.01397	2.1
107.05025	2.0
109.02991	11.7
111.04521	6.7
112.45039	2.2
121.02945	4.8
123.00852	5.0
124.01659	2.5
125.02462	100.0
126.02819	3.2
133.02971	5.5
137.02457	26.6
139.04010	14.8
141.63567	1.8
149.02449	6.2
151.04002	4.5
163.03964	4.0
164.01167	3.7
165.01971	13.9
166.11494	2.2
167.03528	8.2
175.04022	7.3
177.01944	66.0
177.05449	3.7
179.03540	10.9
187.04027	5.4
199.03783	2.4
203.03456	2.5
205.01447	2.3
217.01253	2.5
217.05032	3.4
219.06593	7.3
221.04640	3.6
229.05032	3.7
243.03041	7.9
244.54015	2.1
255.02989	19.9
256.03748	5.7
257.04559	3.3
261.04047	3.1
261.07715	2.7
269.04587	4.7
273.04053	3.9
283.02484	14.2
284.03378	3.1
285.04117	7.7
297.04080	7.5
301.00021	2.4
303.05063	8.5
305.06711	81.9
306.06976	3.0
315.05219	3.0
369.06226	5.2
423.07263	96.0
424.07336	5.4
441.08350	22.7
447.09283	4.2
483.09271	6.3
489.10162	3.3
609.13843	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1464
Annotation	Rutine
Peak:m/z	Relative Intensity
62.89671	1.1
70.43658	2.3
104.72321	1.3
107.01389	3.1
108.02206	1.9
111.44726	1.0
116.22584	1.1
121.02962	2.1
135.00909	1.2
151.00369	11.6
163.00362	2.0
178.99864	4.9
225.21590	1.0
227.03482	3.2
234.71091	1.2
243.02997	7.7
254.02261	1.9
255.02989	21.9
256.03397	1.4
270.99545	2.2
271.02487	46.1
272.03140	2.7
283.02457	2.3
300.02759	87.7
301.03522	32.3
311.55563	1.2
329.64389	1.3
383.37201	1.3
384.10007	1.1
609.14618	100.0
610.14832	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	609.1465
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
53.92908	0.7
59.01363	1.0
64.23260	0.8
70.98517	1.0
70.98856	1.3
107.01415	1.3
109.02947	3.4
120.15182	1.0
123.00911	1.6
123.65687	0.8
125.02492	2.3
125.13216	1.1
133.02953	10.7
134.03731	0.9
135.04514	2.5
147.04501	1.1
149.02391	0.9
161.02519	1.6
163.04031	2.1
169.01460	2.8
175.04044	2.7
177.01962	3.7
177.05617	1.4
179.03487	1.2
185.02480	0.8
191.03638	0.9
203.03525	2.2
205.01439	1.8
215.03458	1.3
217.01360	0.9
225.05406	1.2
227.03732	0.9
264.92239	1.0
267.06537	1.0
269.08167	1.2
283.06186	1.1
284.03284	1.2
285.04028	1.2
288.56073	1.1
297.04071	3.6
298.04846	12.3
299.05594	4.6
299.99051	1.3
300.99841	2.4
309.04324	1.2
310.04703	1.0
311.05640	9.0
312.06375	12.5
313.03964	1.5
313.07257	10.8
323.05652	3.1
324.02963	1.0
325.03473	0.9
325.07339	1.1
327.05115	7.1
338.04251	0.9
339.05084	17.0
340.05615	1.3
341.06625	8.4
351.05182	1.2
353.06665	4.6
357.06296	2.9
367.04672	1.3
369.06171	57.3
370.06375	2.5
371.07620	1.0
381.06204	6.4
384.44937	1.0
399.07227	36.0
400.07629	1.5
411.07291	5.1
413.08859	1.3
429.08237	8.5
441.08136	3.0
459.09454	1.3
471.09387	2.7
480.05414	1.3
489.10446	43.9
490.10553	2.1
519.11578	13.2
519.19220	1.9
591.13580	2.1
609.14667	100.0
610.14905	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	609.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04684	2.0
59.01382	5.1
61.89770	1.9
61.98834	5.7
68.99821	11.5
70.23221	2.4
70.23541	3.1
71.01377	2.8
83.60962	1.9
89.02473	2.1
95.01402	2.0
98.22041	2.4
99.30212	2.0
109.02972	3.5
123.00874	13.8
125.02484	10.1
134.74471	2.0
137.02449	4.4
138.03256	18.0
139.04007	2.4
149.02481	3.7
153.01950	4.1
153.05573	31.8
161.43033	2.3
162.03191	2.9
165.01930	6.8
168.04222	14.5
175.00389	12.1
175.04047	4.9
176.01181	9.4
177.01947	10.3
177.05637	3.3
178.02689	4.9
179.05769	2.5
190.06357	4.4
191.03543	13.8
192.04305	18.0
193.01427	23.3
193.05119	10.2
207.06622	21.0
208.03798	37.1
209.04509	3.7
218.05893	13.5
222.05096	2.8
223.06139	100.0
224.06795	11.3
238.06520	3.7
266.05933	6.2
277.05347	2.1
278.05829	9.1
279.06830	2.4
294.05307	2.5
306.05539	9.7
307.06097	6.6
310.04794	4.8
316.35483	2.1
321.07706	21.9
322.08405	4.6
325.07227	16.6
336.10120	7.4
337.07257	18.5
337.10873	3.2
339.08859	3.1
340.09555	11.0
352.09531	6.6
354.11102	6.1
355.11868	34.5
367.11890	45.0
367.16370	4.5
368.12216	2.3
579.18561	4.3
609.19843	29.3
609.29016	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	609.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98307	1.5
55.01868	2.7
57.03446	3.7
59.01385	78.4
61.98826	3.8
69.03451	2.1
71.01387	47.5
73.02953	7.9
81.03444	1.9
83.01393	3.8
85.02953	13.8
89.02448	49.5
94.62363	1.6
95.01384	7.4
97.02960	1.8
99.00867	5.0
101.02457	26.6
107.01433	8.1
109.99884	1.6
113.02462	21.3
119.03526	14.8
119.04980	1.5
122.56888	1.7
123.00878	6.4
125.02457	35.5
131.03528	3.2
143.03477	2.0
149.04611	9.5
151.00381	4.4
161.04532	4.9
169.01439	41.2
179.05576	5.0
192.30267	1.5
201.11339	1.7
221.11815	3.5
267.17758	1.5
285.18597	4.5
303.19687	5.5
411.29337	2.4
418.93564	1.8
429.30313	3.1
447.22275	4.9
447.31165	6.1
461.19067	1.8
573.21960	58.6
574.22205	4.8
591.35693	2.3
609.27521	12.5
609.36505	100.0
610.36829	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	609.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
58.00600	1.8
59.01385	74.6
61.98832	1.8
62.56292	1.6
71.01386	51.7
71.43402	1.9
72.99303	2.4
73.02949	6.7
73.93763	1.5
83.01382	5.9
85.02952	11.5
87.00863	1.9
89.02457	45.0
95.01390	4.5
97.02953	1.6
99.00911	2.9
100.76791	1.5
101.02450	26.6
107.01379	9.6
113.02456	21.7
116.44235	1.6
119.03529	13.0
123.00877	6.2
123.40456	1.6
125.02464	34.7
131.03513	4.3
141.37459	2.0
143.03500	3.4
149.04521	7.3
151.00450	2.4
161.04579	6.7
164.97218	2.1
169.01437	44.9
178.99863	2.3
179.05661	8.1
221.11810	2.5
235.13568	2.0
236.66780	1.8
269.15457	1.7
275.07834	1.9
285.18640	5.5
303.19730	4.5
318.44516	1.7
375.28320	1.6
429.30151	2.1
447.22241	4.8
447.31375	8.2
573.21881	55.6
574.22852	2.0
591.35291	3.5
593.97046	1.6
609.27948	9.3
609.36505	100.0
610.36450	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	609.2772
Annotation	Atractyloside A 14-O-beta-D-fructofuranoside
Peak:m/z	Relative Intensity
51.74661	0.7
55.01890	2.4
57.03452	2.9
57.69454	0.7
58.00597	1.6
59.01384	100.0
61.98825	1.3
69.03453	1.4
71.01387	69.4
71.42404	0.7
72.99321	2.8
73.02956	9.4
75.00874	1.0
83.01386	5.6
85.02961	18.1
87.00882	6.2
89.02451	67.4
95.01402	5.0
97.02959	3.5
99.00869	4.5
101.02454	49.5
107.01450	1.0
109.02959	1.0
112.47155	0.8
113.02455	31.1
116.04305	0.7
119.03513	36.0
123.00925	1.7
125.02462	6.9
129.01990	1.0
131.03522	4.5
143.03514	8.4
143.10768	0.8
149.04544	2.5
151.00383	1.0
159.03033	1.1
161.04573	11.5
166.99907	1.4
169.01491	2.3
178.99915	2.2
179.05632	17.1
179.07161	1.1
182.02272	3.1
183.13930	2.1
193.12401	1.0
197.04573	5.7
211.13412	29.5
215.05751	0.7
224.66245	0.6
235.08270	1.7
247.17114	1.6
286.10007	0.7
293.08948	1.0
295.25751	0.7
315.18118	3.7
389.39569	0.7
397.13535	10.3
415.14572	7.1
429.21472	1.2
447.22556	21.9
447.31195	3.2
465.25092	1.6
515.16504	0.8
591.35883	0.9
609.18018	2.4
609.27887	45.7
609.36792	18.1
610.19263	0.8
610.28247	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
57.03434	6.1
59.01384	100.0
60.01691	2.2
61.98827	6.7
66.11402	1.6
69.90166	2.2
69.90508	5.7
71.01387	48.8
73.02935	8.6
76.11780	1.7
78.95898	2.1
83.01395	7.5
85.02960	14.3
87.00882	6.0
88.98817	5.2
89.02451	36.6
95.01395	5.8
96.95992	2.3
99.00915	2.8
99.04525	2.1
101.02453	29.1
107.05014	4.2
111.00953	3.0
113.02460	23.6
115.87052	2.1
119.03523	19.0
123.00911	2.6
123.04543	2.1
124.59596	1.8
125.02452	15.8
131.03459	3.6
135.04526	3.9
143.03505	4.5
148.04095	2.4
149.04619	2.4
157.93425	1.8
161.04559	10.3
168.00610	2.6
169.01427	15.2
179.05611	6.9
201.14903	2.4
215.08304	3.5
221.11894	3.0
247.17024	3.8
262.64417	2.1
283.02408	2.2
303.19699	9.0
361.29642	7.1
447.31281	13.1
457.16910	2.6
493.90689	2.0
500.41168	2.0
505.33881	61.8
523.34717	12.3
565.35199	2.5
591.25763	2.4
591.35309	4.4
609.18506	11.3
609.28345	4.8
609.36688	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3646
Annotation	Isochainin
Peak:m/z	Relative Intensity
53.54238	1.3
59.01382	3.3
63.50673	1.1
66.05656	1.5
71.01379	3.0
71.05044	1.4
75.61700	1.2
80.02697	2.2
82.95408	1.7
83.05038	7.6
85.02971	2.3
95.05042	2.6
97.03032	1.8
97.06609	2.6
97.95332	1.3
101.19735	1.3
109.03036	1.4
109.06613	3.0
122.03783	1.6
123.08128	1.9
123.76750	1.5
125.09749	6.2
127.07664	3.1
129.84579	1.5
135.08174	3.9
141.09212	3.4
153.09235	12.9
163.11299	4.5
165.12875	2.8
171.10277	28.3
177.09207	1.5
177.20096	1.3
181.12347	1.4
185.11826	6.4
191.10733	4.5
197.11783	4.3
207.10272	5.8
209.11847	100.0
210.12251	2.9
211.13380	2.1
223.13377	2.6
225.11411	3.9
227.12865	19.2
230.28639	1.4
233.39946	1.5
238.12238	1.8
240.49020	1.5
249.15004	1.8
263.16595	1.8
280.99792	1.3
289.18283	7.8
299.14941	1.8
307.19168	24.9
325.20236	16.3
327.21964	2.9
343.53040	1.4
345.20752	4.7
363.21814	3.6
373.23773	4.3
381.22849	4.2
391.25003	3.2
449.25427	2.3
504.27255	2.3
522.28430	5.5
535.32568	2.2
540.29395	1.8
554.51917	1.8
565.33765	1.9
573.34259	5.4
591.35284	12.9
602.94171	1.6
609.37115	11.7
610.32959	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11924	0.3
55.01879	1.8
57.03455	2.7
58.00589	1.0
59.01384	78.0
60.01720	0.3
60.65592	0.2
60.79596	0.3
61.58667	0.3
61.68739	0.3
61.98841	0.7
69.03455	1.0
71.01388	45.0
72.01720	0.4
72.57093	0.3
72.99331	1.1
73.02955	3.8
75.00867	0.4
81.03459	0.3
81.07108	0.4
83.01386	2.8
84.02188	0.3
85.02958	10.4
87.00880	2.1
89.02453	40.2
93.03463	0.3
95.01393	3.5
97.02965	0.4
97.06607	0.8
98.22787	0.4
99.00898	1.4
101.02453	26.5
107.01407	1.2
109.06627	0.4
109.40636	0.2
111.00880	1.0
111.08147	0.3
113.02460	18.7
119.03517	18.5
119.04801	0.4
119.43475	0.3
123.00911	0.4
124.01677	0.7
125.02456	3.7
131.03505	1.8
135.04520	0.4
137.32954	0.3
138.09265	0.3
143.03526	3.0
143.10783	0.8
149.04611	1.2
149.06097	0.7
151.00374	0.5
151.07584	0.4
159.02972	0.7
161.04593	4.8
161.07225	0.4
163.07625	0.5
169.01433	4.3
173.07170	0.4
179.05623	7.5
179.10794	0.6
193.12369	0.7
203.10884	0.7
205.08754	0.4
205.12384	0.7
213.12831	0.5
215.08255	2.1
221.11856	5.8
231.13979	0.5
233.09320	0.3
233.15443	0.8
234.12607	2.9
235.13399	1.7
241.10031	0.3
245.15594	0.7
251.14302	0.3
257.15518	1.1
259.17029	0.7
261.18527	0.4
267.17450	0.5
269.15518	2.4
283.02451	0.4
284.03406	0.3
285.18634	5.0
287.16632	0.6
288.17288	0.8
303.19687	12.3
304.20197	0.4
305.16034	0.8
327.19598	0.3
328.88629	0.3
348.02814	0.3
411.29086	1.6
429.30093	2.7
447.09955	0.4
447.31198	11.7
447.37378	0.6
448.31482	0.4
483.06454	0.3
573.21777	5.0
573.34668	0.7
574.22058	0.4
591.35571	2.9
609.36493	100.0
610.36768	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	609.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.64436	0.2
57.03454	2.3
58.00604	1.7
59.01384	100.0
61.98834	0.8
68.92362	0.2
69.03461	0.5
69.41593	0.3
71.01388	54.2
71.42638	0.3
72.01721	0.4
72.99320	2.0
73.02950	2.3
74.38708	0.2
75.00864	0.3
83.01401	2.3
85.02959	10.3
85.03479	0.5
87.00885	2.7
89.02453	61.7
93.03538	0.2
95.01389	3.8
96.95979	0.3
97.02969	0.2
97.06625	0.3
99.00899	0.8
101.02454	36.4
102.02735	0.3
107.01369	0.3
113.02461	23.1
116.75556	0.2
119.03514	30.6
123.00932	0.4
123.12757	0.2
124.01763	0.2
125.02475	1.8
126.02959	0.2
128.03563	0.2
131.03520	3.1
133.99573	0.2
143.03510	5.5
143.10805	1.0
149.04579	2.7
149.12119	0.2
151.00417	0.5
161.04564	5.7
162.04854	0.3
163.07585	0.4
168.00551	0.3
169.01442	0.8
178.99901	0.5
179.05629	14.8
182.02255	0.5
193.12439	0.3
197.04552	0.3
203.10869	0.3
211.13435	0.3
221.11758	1.5
234.12697	0.8
235.13516	0.5
251.14645	0.3
267.17459	0.5
269.15546	0.6
280.85101	0.2
285.18640	2.2
303.19684	3.6
319.11053	0.3
347.69772	0.3
389.93359	0.3
392.72940	0.3
411.29175	0.6
427.00470	0.3
429.30035	2.4
447.31119	3.9
465.24976	5.8
591.35474	4.1
592.74536	0.3
593.24066	0.3
609.36481	74.1
610.36963	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	610.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39665	0.4
59.01385	3.2
61.98837	100.0
63.56886	0.4
71.01385	1.9
71.42555	0.4
77.63783	0.4
85.02954	0.5
89.02467	1.5
101.02470	1.0
102.02853	0.3
108.29191	0.3
112.89462	0.4
113.02459	0.7
119.03516	0.6
125.02496	1.5
126.02791	0.5
155.39000	0.4
163.04079	0.3
169.01456	1.3
170.01807	0.4
178.99899	0.4
189.01939	0.4
301.00061	1.4
363.06873	0.4
609.36273	0.7
610.37329	1.5
611.10718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08829	34.0
53.31215	32.8
69.92760	100.0
78.95879	35.3
96.96032	45.3
98.59099	33.5
116.92896	54.8
167.41039	34.5
202.97690	38.3
477.29666	41.8
544.77466	40.5
633.62592	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72991	2.8
57.03461	6.0
64.98528	2.7
70.90086	4.1
81.03470	3.2
82.95445	4.9
96.95995	4.7
109.02966	6.8
111.04520	4.0
123.00928	6.3
125.02466	69.0
135.04529	3.5
137.02469	28.7
139.04034	12.8
143.89825	3.2
160.61790	3.0
164.01201	7.0
165.01971	13.8
167.03529	19.3
177.02042	4.5
177.05626	3.5
179.03531	16.2
203.03520	3.9
219.06703	7.4
261.07877	3.9
267.66202	2.7
305.06689	100.0
306.06830	3.6
343.72037	3.2
369.22266	3.1
394.80551	3.0
438.09283	3.4
481.25690	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	611.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42815	0.9
57.03429	1.7
58.22636	0.8
59.01379	1.2
61.78410	0.7
66.58495	0.9
71.01395	3.2
73.02956	1.2
79.94407	0.9
81.03468	12.4
82.95425	34.9
83.01394	13.7
85.02964	2.7
93.03473	3.2
95.01392	4.4
95.05036	5.8
97.02964	11.3
99.04497	4.7
107.05042	2.9
109.02972	4.6
111.00847	1.3
111.04520	3.8
113.02483	2.5
117.03471	3.3
119.05000	1.1
121.02943	3.9
121.06614	2.0
123.00864	3.1
123.04536	26.3
124.01682	1.4
125.02458	39.6
125.06046	1.2
135.04529	3.5
137.02463	10.3
137.06065	2.8
139.04025	4.7
147.04474	1.4
149.02466	1.5
150.03210	1.1
151.04007	5.3
153.05553	3.3
155.03491	1.4
163.00383	1.0
163.04022	2.4
165.01917	2.8
165.05608	5.4
166.02734	1.3
167.03508	44.1
169.01416	3.7
177.01952	2.3
177.05533	1.8
179.03511	15.3
181.05078	2.1
189.01900	1.2
191.03496	4.0
193.05104	1.6
197.04591	13.6
199.57541	0.9
209.04570	100.0
210.04932	3.1
219.06544	1.1
221.04524	5.4
223.06357	1.1
239.05629	81.1
240.05930	2.2
249.04121	1.1
251.05585	6.1
263.05554	1.0
269.06699	34.5
270.07190	1.1
275.01691	1.2
277.03409	1.4
281.06747	4.7
293.06815	1.1
299.07727	1.0
300.99820	2.9
301.07138	1.1
311.07715	9.2
323.07449	1.6
329.08893	19.3
341.08902	7.5
359.10181	5.2
371.07718	43.1
372.08112	1.6
383.07755	2.0
401.08844	28.5
431.09717	9.6
449.13019	7.8
473.10828	6.0
479.11993	1.6
491.11951	15.8
503.11990	4.0
521.13000	3.7
527.14154	4.4
611.16705	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	611.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78889	9.8
59.01384	18.8
61.14815	7.7
69.32966	17.7
69.33362	28.5
69.89139	7.3
87.00858	17.0
91.05532	28.6
98.22019	11.4
101.02474	7.2
133.06570	16.1
161.06090	17.6
163.04004	29.9
169.01476	8.7
223.06151	100.0
269.13895	17.8
298.28653	9.3
351.44989	8.1
422.08456	7.2
449.20404	17.7
475.15594	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	611.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24961	1.4
59.01376	4.1
60.99308	18.9
69.30470	6.8
71.01384	3.2
85.02969	1.9
87.00878	4.0
88.00397	3.0
88.98814	100.0
89.02453	40.4
89.03011	1.4
101.02449	1.3
107.01412	4.4
108.32433	1.6
113.02464	3.2
116.92864	5.2
123.00858	3.8
124.01650	4.1
125.02463	22.5
128.13712	1.3
148.90977	2.2
150.03239	3.5
151.00418	1.6
153.02087	1.2
161.04697	1.4
165.05592	2.6
167.43724	1.2
168.00641	1.8
169.01450	25.5
195.06714	1.8
201.46509	1.4
262.01385	1.3
311.09146	1.9
441.10294	3.9
459.18170	2.6
508.20905	1.4
611.10889	10.3
611.20953	12.7
612.20874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
60.99310	14.2
65.16015	1.4
71.01382	3.1
88.98814	80.5
98.21811	2.7
107.01397	4.0
111.00890	2.1
116.92873	7.9
116.95264	1.7
123.00918	3.8
124.01654	9.9
125.02451	20.9
140.01180	1.6
151.00317	3.3
168.00652	12.3
169.01425	34.0
178.99889	2.3
192.74632	1.4
197.91733	1.2
211.02493	54.0
229.40858	1.5
271.04614	100.0
272.04904	2.1
286.70758	1.3
331.06726	31.4
467.04727	1.7
519.18390	1.7
521.20349	54.1
522.20697	3.7
609.80933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2145
Annotation	C11830
Peak:m/z	Relative Intensity
59.01385	61.4
61.98825	19.3
62.51353	4.5
68.99812	13.0
69.22261	16.1
69.22674	10.3
71.01394	41.8
73.02931	6.2
78.91904	11.4
85.02958	18.1
89.01968	5.7
89.02444	34.0
95.01411	8.4
96.96008	4.7
99.00878	4.9
101.02460	21.8
108.02166	7.8
110.89510	4.3
113.02470	20.3
119.03490	11.5
123.00864	11.8
123.04524	18.7
125.02404	11.9
138.03323	23.6
139.04247	5.2
146.03763	12.8
147.00874	5.3
153.01968	10.7
153.05592	32.1
161.04631	5.3
161.06107	13.7
168.04230	20.9
169.01474	7.7
172.58374	4.5
175.00394	9.1
176.01155	18.0
177.01900	18.3
178.02740	8.3
179.05556	11.8
191.03555	16.9
192.04305	22.4
193.01454	23.6
193.05070	11.9
195.04861	19.5
207.06680	26.2
208.03773	34.1
223.06111	100.0
224.06874	14.3
268.07602	5.2
275.02032	5.9
283.06293	4.9
300.99915	14.0
323.09406	5.3
327.08856	6.3
339.08685	12.3
342.11035	15.4
350.07877	4.2
357.13437	24.0
369.13452	13.5
442.05646	5.0
557.15631	5.2
611.11969	7.9
611.21558	36.5
611.29938	4.4
611.38104	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	61.4
61.98825	19.3
62.51353	4.5
68.99812	13.0
69.22261	16.1
69.22674	10.3
71.01394	41.8
73.02931	6.2
78.91904	11.4
85.02958	18.1
89.01968	5.7
89.02444	34.0
95.01411	8.4
96.96008	4.7
99.00878	4.9
101.02460	21.8
108.02166	7.8
110.89510	4.3
113.02470	20.3
119.03490	11.5
123.00864	11.8
123.04524	18.7
125.02404	11.9
138.03323	23.6
139.04247	5.2
146.03763	12.8
147.00874	5.3
153.01968	10.7
153.05592	32.1
161.04631	5.3
161.06107	13.7
168.04230	20.9
169.01474	7.7
172.58374	4.5
175.00394	9.1
176.01155	18.0
177.01900	18.3
178.02740	8.3
179.05556	11.8
191.03555	16.9
192.04305	22.4
193.01454	23.6
193.05070	11.9
195.04861	19.5
207.06680	26.2
208.03773	34.1
223.06111	100.0
224.06874	14.3
268.07602	5.2
275.02032	5.9
283.06293	4.9
300.99915	14.0
323.09406	5.3
327.08856	6.3
339.08685	12.3
342.11035	15.4
350.07877	4.2
357.13437	24.0
369.13452	13.5
442.05646	5.0
557.15631	5.2
611.11969	7.9
611.21558	36.5
611.29938	4.4
611.38104	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
58.00600	1.6
59.01384	72.6
61.98843	2.1
69.03470	0.7
69.21096	3.3
71.01388	49.9
72.99326	1.4
73.02951	3.6
76.97122	0.5
78.34422	0.5
82.54125	0.5
83.01394	1.9
83.05035	0.9
84.95117	0.9
85.02957	7.4
87.00883	1.2
88.98826	1.4
89.02451	45.1
95.01394	3.8
96.96014	0.6
99.00903	0.9
101.02450	23.4
102.65285	0.5
107.01447	0.7
113.01710	1.2
113.02461	16.8
114.02911	0.7
115.00378	9.9
119.03522	19.1
123.00883	2.0
124.01653	1.8
125.02467	6.7
131.03511	1.9
135.04526	4.5
140.01195	0.6
143.03499	4.0
148.05348	1.1
149.04593	1.5
150.61758	0.6
151.04039	0.9
161.02467	1.0
161.04570	5.3
162.06894	0.7
163.07663	100.0
164.07993	1.7
168.00690	0.9
169.01453	6.3
179.03592	1.9
179.05624	10.5
189.09239	0.6
213.15117	0.6
232.13765	0.6
233.11873	0.7
239.50833	0.5
271.17108	1.0
315.15976	2.1
331.13931	2.3
333.16989	1.0
449.21350	0.7
449.32828	1.0
459.18542	1.9
495.22403	87.5
496.22418	4.9
521.30774	1.6
543.21075	0.6
610.36743	1.3
611.19556	9.4
611.37897	12.6
612.21246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66229	1.3
56.55147	1.1
57.03460	2.0
59.01385	65.4
63.02813	1.2
63.05223	1.2
69.03463	1.3
71.01392	25.0
73.02948	11.1
75.00890	1.4
80.22046	1.3
80.47115	1.2
83.01403	5.5
85.02950	12.1
87.00900	2.0
89.02450	8.5
93.03465	3.8
95.01419	3.9
96.96007	2.1
97.02978	1.8
99.00899	2.5
101.02464	17.5
104.07922	1.2
108.02178	2.3
113.02479	9.4
115.00379	5.9
119.03565	2.9
121.02966	7.1
122.03747	16.6
123.00941	2.7
123.04503	2.3
124.01699	1.7
125.02456	11.0
133.02948	5.7
134.03738	5.5
135.04503	3.1
141.01953	1.5
143.03433	1.7
147.04533	3.3
148.05301	10.1
149.02454	39.4
149.06090	4.0
150.03242	100.0
151.03752	1.8
162.03246	5.3
163.04012	2.3
163.07632	1.4
164.04843	8.9
165.05583	93.7
166.06032	1.7
169.01445	14.0
170.01891	1.3
176.73853	1.4
177.05603	4.6
179.03395	1.2
179.59131	1.3
180.04282	6.1
181.05115	3.5
195.06638	47.7
196.07292	6.1
211.09737	9.3
215.10782	5.7
217.12300	6.8
230.87456	1.2
233.11884	7.7
275.01974	1.4
340.11737	2.2
343.12210	1.4
344.12631	2.2
355.14005	22.8
359.14993	12.3
373.15015	10.3
395.17203	12.4
415.16226	3.1
431.08878	3.5
459.11441	4.1
495.22412	59.6
496.22943	4.0
503.19260	81.8
504.19809	4.6
521.20300	33.2
522.20490	1.4
551.21442	2.7
563.21387	17.1
569.22424	4.5
611.23834	10.5
611.32684	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	611.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.0
59.01382	16.7
69.03481	1.1
71.01390	5.2
71.23197	0.5
71.43643	0.6
72.17912	0.5
73.02959	1.5
83.01397	1.6
85.02959	4.4
85.58804	0.5
87.00891	0.6
89.02467	1.6
93.03479	4.1
95.01414	1.8
97.02961	0.7
101.02464	5.0
105.03483	0.7
107.01402	1.5
109.02957	0.5
111.00945	0.8
113.02483	4.1
116.92849	1.0
121.02959	4.3
122.03757	16.2
123.00865	1.2
123.04556	1.2
124.01690	1.8
125.02467	11.8
132.02196	0.6
133.02985	3.2
134.03746	1.3
134.44861	0.6
135.04532	1.5
136.01695	1.5
143.03484	0.6
147.04453	0.7
149.02463	23.0
149.06090	1.5
150.03246	96.8
151.00414	1.0
151.03682	1.9
161.02400	0.7
161.04713	0.6
162.03186	0.9
163.04100	1.2
164.04805	4.6
165.05589	100.0
166.05908	1.9
168.00703	0.9
169.01437	11.8
180.04308	5.8
181.04965	1.1
195.06647	54.6
196.07317	3.2
211.09746	2.4
300.99612	0.6
325.09052	0.8
355.14038	11.6
359.14777	1.9
373.15094	5.6
415.15839	3.8
441.10223	1.4
459.11877	0.8
459.18317	1.0
465.06442	0.7
503.19244	22.4
504.19357	1.0
521.20343	9.5
551.21442	1.2
563.21405	6.5
569.22058	1.1
611.11932	3.8
611.21216	1.8
612.12347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97272	1.0
57.03454	2.5
59.01386	79.7
61.98819	2.0
64.09445	1.1
68.99818	1.0
70.44315	0.9
71.01385	34.0
72.99310	2.0
73.02954	14.8
73.56891	1.0
75.00883	1.6
79.17158	1.0
83.01398	6.2
85.02958	13.6
85.55091	1.0
87.00893	2.6
89.02451	14.3
93.03460	4.3
95.01369	3.4
96.96008	4.1
97.02926	1.4
99.00887	1.6
101.02463	18.8
107.01416	1.2
111.00877	1.2
113.02451	10.5
115.00394	3.4
116.92846	1.5
119.03506	4.7
121.02954	8.0
122.03753	18.2
123.00893	3.0
123.04506	2.7
124.01655	2.4
125.02481	6.4
127.03978	1.3
131.03510	1.3
132.02159	2.0
133.02954	5.7
134.03738	3.4
135.04549	2.9
136.01678	1.8
137.02457	1.3
143.03523	2.3
145.02971	1.1
147.04543	3.7
148.05301	8.4
149.02457	42.7
149.06027	5.2
150.03238	100.0
151.03664	3.1
152.04837	1.6
153.05550	1.2
161.02458	1.9
161.04539	3.3
162.03223	6.4
163.04001	2.2
164.04828	9.7
165.05588	96.2
169.01450	5.0
177.02005	1.1
177.05623	5.5
179.05623	1.8
180.04276	4.6
181.05058	4.8
193.08516	1.2
195.06642	49.7
196.07457	6.6
211.09848	10.4
215.10808	3.1
217.12343	5.7
225.07805	1.2
227.03384	1.3
233.11859	7.0
256.18500	1.1
275.01947	1.2
300.99777	1.9
320.71646	1.2
340.11655	2.6
343.11957	2.0
344.12558	5.3
355.13995	23.4
359.14990	8.5
373.15112	11.0
382.09601	1.1
395.17087	10.8
415.16119	5.7
430.08829	1.3
431.09219	2.0
449.21738	1.8
456.05795	1.1
459.11395	3.6
495.22394	46.0
496.22983	1.8
503.19257	82.6
504.19659	7.3
521.20276	32.5
522.20673	1.9
551.21222	4.8
563.21399	17.9
569.22375	4.3
593.33002	1.4
611.15112	1.3
611.23334	12.0
611.34259	3.5
611.83698	1.1
612.23376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	68.6
66.94086	1.3
69.51466	6.5
71.01386	27.8
73.02951	1.8
76.56989	1.4
82.73289	1.4
83.01409	2.1
85.02951	5.7
89.02464	24.9
95.01375	2.7
96.96039	1.9
99.04530	23.8
101.02446	14.8
113.02457	8.3
119.03558	8.0
125.02411	1.7
140.83032	1.5
145.47160	1.5
165.12854	1.9
169.01381	1.9
189.12872	8.2
207.13924	35.5
209.11807	5.7
233.11711	2.1
251.12903	100.0
269.13980	14.7
296.23267	1.5
361.32034	1.8
431.19269	86.6
432.19913	4.6
449.20432	14.6
611.16638	3.2
611.25623	79.1
612.25977	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	611.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
56.06894	2.8
56.27474	2.1
57.03461	2.6
59.01124	3.2
59.01389	46.3
60.65742	2.4
61.98835	3.6
69.47836	11.2
71.01022	3.8
71.01385	51.5
71.05035	2.6
73.02940	17.0
81.03481	2.3
83.01390	5.4
85.02975	21.8
87.00866	5.1
89.02461	23.5
93.37180	2.2
95.01384	10.7
95.27929	2.3
96.95995	6.2
97.02959	5.9
99.00894	4.8
101.02445	34.8
107.01382	4.5
109.02960	4.4
111.00906	2.9
113.02466	21.6
116.92889	2.7
119.03458	7.5
121.02959	5.2
123.00878	9.7
123.04494	3.0
124.01625	5.8
125.02467	41.3
133.02939	4.7
135.02997	3.2
135.04533	16.5
136.49750	3.0
137.02457	2.7
139.07654	3.5
143.03566	4.5
149.02422	3.2
150.03247	4.7
155.10754	8.6
161.02460	4.7
161.04588	18.9
161.08179	6.7
163.00343	2.9
163.04016	3.5
165.05531	3.0
167.03441	4.5
168.00591	3.9
169.01436	42.2
170.29176	2.8
175.04005	2.8
177.02061	2.6
179.03522	12.2
179.05585	7.2
191.03474	3.1
209.04532	10.9
211.02420	7.5
227.16496	11.1
229.01512	3.8
231.02936	4.0
239.05687	6.0
243.02838	3.6
245.00708	3.3
249.04079	6.0
255.05330	2.4
257.00885	3.8
257.07153	2.8
271.04608	13.1
273.00397	2.8
275.01874	11.3
298.98502	2.9
299.09296	8.8
299.99020	3.3
300.99905	24.5
302.00006	4.6
313.05582	7.1
324.57388	2.7
363.12265	3.2
387.07132	6.0
389.21811	23.5
459.11600	14.5
491.11740	3.8
493.09769	6.5
495.10696	5.7
543.30682	2.7
551.18622	5.5
551.27136	100.0
552.27386	5.0
567.13538	3.5
611.12067	27.7
611.28076	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	611.3805
Annotation	Heloside B
Peak:m/z	Relative Intensity
55.01876	2.2
57.03450	2.6
59.01384	49.1
61.98851	0.6
70.49559	1.2
71.01387	39.5
72.99310	1.2
73.02946	8.2
73.25101	0.4
75.00848	0.8
83.01394	4.4
85.02959	14.9
87.00874	1.7
89.02451	16.8
95.01385	3.2
97.02990	0.6
98.22029	0.5
99.00888	2.5
101.02451	22.6
103.06949	0.5
111.00888	1.9
113.02461	13.7
119.03502	5.6
120.52201	0.5
123.00855	0.8
125.02467	1.5
129.01852	0.5
131.03546	0.5
135.04532	1.2
143.03500	1.6
143.10840	0.9
159.02982	1.9
161.04568	7.2
163.79929	0.5
169.01477	0.9
179.05617	1.4
190.96933	0.5
226.46198	0.5
267.17795	0.7
269.19199	1.5
300.99915	1.0
309.82953	0.5
449.32916	1.0
459.18518	0.9
557.35040	1.0
575.35620	1.0
593.36884	2.0
596.52802	0.6
611.38062	100.0
612.38507	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	612.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.65023	1.3
61.98829	4.0
69.07902	8.5
71.01391	52.4
73.02981	1.8
85.02969	8.6
86.57489	1.3
87.00848	2.4
89.02455	75.2
95.01441	2.1
101.02451	19.8
101.11533	1.5
113.02463	20.7
116.92881	6.0
117.92889	2.0
119.03523	28.5
125.02470	3.6
131.03514	3.6
143.03479	5.8
149.02464	1.4
149.04559	3.6
161.04565	5.4
165.01845	1.5
169.01453	2.1
178.99715	1.3
179.05646	30.6
184.58897	1.2
216.31581	1.3
251.15834	1.3
552.73010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3183
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
56.17243	1.2
58.48891	1.3
61.98835	1.4
70.69062	2.4
73.48691	1.3
96.91225	1.7
97.38696	1.4
121.02971	100.0
181.06596	8.4
198.77527	1.3
225.05594	8.7
294.75922	1.6
313.07263	18.7
357.06128	9.1
410.65033	1.7
612.31818	50.7
613.32367	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73654	0.8
59.01382	1.5
60.91337	0.8
66.98085	0.8
69.31600	3.8
71.01392	22.4
72.99316	4.2
84.95104	1.4
89.02460	2.1
98.22684	1.0
115.00385	54.4
117.03496	1.0
123.00899	1.2
125.02451	3.8
126.35623	0.9
133.01450	100.0
133.03049	3.2
134.01770	1.0
134.03760	21.9
135.04541	77.5
136.04860	1.4
136.98593	9.8
151.04019	1.1
154.99637	7.8
157.02753	1.8
161.02467	10.9
169.01418	4.2
175.02486	4.1
179.03516	81.2
180.03865	1.6
189.01715	13.8
201.01714	94.4
202.02066	2.3
219.01443	2.6
229.03560	1.6
252.99728	1.4
271.00839	3.8
271.81015	1.1
273.04086	10.0
275.02100	1.6
289.01566	2.2
293.34949	1.0
295.04541	4.8
298.98434	1.2
299.98947	1.1
300.99994	2.5
317.02811	91.5
318.03009	2.7
335.03973	4.9
345.04849	4.9
433.03397	2.7
451.04968	3.7
453.06668	2.2
517.98883	1.1
613.04980	2.2
613.14734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.7
61.34532	1.6
69.33810	9.6
71.01392	3.6
72.99311	2.3
81.03466	6.6
83.01390	6.7
85.02985	2.0
93.03425	2.1
95.01398	2.0
95.05016	4.1
96.96004	5.4
97.02955	4.6
99.04539	3.2
102.64079	1.7
105.01989	1.8
107.05021	2.6
109.02969	12.3
111.04515	2.6
113.02495	2.0
119.05032	2.2
121.02991	9.1
121.06622	2.2
123.00861	2.0
123.04515	17.9
125.02470	21.6
135.04535	18.0
137.02455	5.0
137.06059	7.5
139.04028	9.3
149.02507	1.9
149.06075	1.8
151.04013	2.7
153.05605	2.4
161.06140	3.2
163.03990	4.7
165.05544	5.6
167.03516	29.1
169.01447	3.8
170.29245	1.8
177.05647	2.6
179.03503	8.0
181.05067	3.1
189.05605	2.7
191.03539	2.2
193.05052	3.7
197.04596	8.7
205.05099	2.2
207.06584	2.9
209.04562	41.2
214.99025	2.0
219.03040	2.0
221.04655	10.6
233.04497	4.6
235.06113	2.4
239.05681	16.0
251.05640	20.4
263.05591	5.3
281.06613	7.9
289.07089	2.0
293.06543	3.0
300.86865	1.7
331.08255	8.8
341.94281	2.3
361.09268	4.3
373.09323	100.0
374.09518	6.7
385.09308	4.5
403.10413	74.4
404.10794	3.6
415.10352	5.2
433.11395	23.2
445.11157	2.1
475.12476	10.1
493.13574	25.1
505.13605	5.8
523.14648	4.0
555.28766	2.1
613.18103	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	613.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63762	0.8
56.69451	1.1
59.01394	4.1
60.99319	11.5
71.01385	2.4
85.02954	1.2
88.98814	69.2
89.02448	1.8
95.01392	1.4
98.21861	1.7
101.02470	1.9
107.01398	2.5
111.00880	1.1
123.00912	10.0
124.01672	6.2
125.02465	13.2
137.02477	1.3
139.00404	1.4
140.01201	1.5
141.01953	1.7
151.00403	6.8
161.02557	1.0
163.07619	5.4
165.01942	1.1
165.05615	1.5
168.00717	3.2
169.01451	16.4
195.06647	1.8
303.59561	0.9
313.05746	2.0
313.14575	0.9
416.64105	1.0
421.21213	1.0
473.61230	0.9
493.39584	1.0
495.22345	2.8
523.21893	100.0
524.22198	7.2
613.15247	1.6
613.25104	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	613.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.0
60.01701	1.9
61.98839	4.5
71.01392	16.0
72.01717	1.7
73.02953	1.6
85.02949	2.9
85.38646	0.9
87.00890	1.0
88.58114	0.6
89.02452	20.4
90.02785	2.3
91.02859	1.1
91.35978	0.7
95.01396	0.9
99.57670	0.7
101.02465	8.4
102.02797	0.8
105.01932	0.8
107.01384	0.8
109.03005	1.6
113.02453	5.7
114.02827	1.7
119.03512	8.6
120.03819	2.0
125.02457	2.3
136.01683	2.9
137.02464	18.5
139.00386	1.2
143.03526	1.2
144.03860	1.1
150.03232	4.5
151.00337	0.9
151.04019	2.9
161.04559	1.9
164.01205	2.0
165.01945	100.0
165.05611	4.1
166.02394	2.3
169.01442	2.4
177.05528	1.8
179.03522	22.8
179.05548	3.4
180.04292	56.6
181.04768	1.3
181.44559	0.8
194.05865	3.7
195.02965	2.8
195.06635	72.6
196.07024	1.8
210.05350	12.5
217.06288	0.8
219.03159	0.8
225.07700	58.5
226.07983	1.0
240.07941	0.9
250.06682	0.8
253.97897	0.7
255.15979	1.3
263.63394	0.7
268.07336	1.8
273.11096	0.7
279.06610	1.2
280.07574	1.2
283.09787	2.0
296.07153	1.0
296.10672	0.7
297.07895	0.8
297.11319	1.3
299.09314	0.9
301.05618	1.5
308.06821	0.7
309.07736	1.0
312.06451	1.4
323.09280	2.0
324.09912	1.5
325.10846	1.8
326.11575	3.1
327.08688	4.3
328.09399	0.8
337.10974	1.1
339.08704	6.1
339.12521	2.1
340.09073	0.8
341.14133	1.1
342.11041	5.0
343.11819	2.1
353.10312	1.3
354.11230	2.6
355.12180	1.2
357.13507	17.8
369.13419	18.3
370.13971	0.8
373.13095	1.4
430.19870	1.7
448.21066	0.9
458.80252	0.9
517.18683	1.2
535.20062	5.3
565.20795	33.2
566.21069	2.2
567.28314	0.8
612.38715	1.6
613.28821	3.5
613.38867	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	613.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15103	0.6
51.85397	0.5
59.01387	1.7
61.98834	7.6
67.01895	0.6
67.15089	0.6
69.22509	3.7
71.01405	1.2
77.21629	0.6
89.02452	0.9
93.03471	3.6
94.20267	0.6
95.01455	1.2
95.05046	0.8
95.45404	0.6
97.24400	0.7
108.02155	0.7
109.02961	3.9
121.02967	6.8
122.03748	15.9
123.00914	1.2
123.04545	1.4
124.01766	1.0
125.02464	1.8
129.74745	0.6
132.02190	0.9
133.02965	1.8
135.04596	1.8
136.01718	3.5
137.02463	14.8
138.03238	1.4
139.04021	1.6
147.04539	1.2
149.02451	26.3
149.06049	0.8
150.03241	96.9
151.00368	7.6
151.04008	5.3
152.01155	1.5
152.04848	2.5
153.01918	0.7
159.04501	1.4
161.02577	0.9
162.03198	1.6
163.03923	0.8
164.01167	0.7
164.04803	5.8
165.01950	11.9
165.05585	100.0
166.02728	18.5
166.05945	2.0
167.03510	1.6
169.01445	1.7
175.04025	3.0
176.04840	1.1
177.01985	1.5
177.05598	2.0
178.02748	0.8
179.03508	3.9
179.07062	0.9
180.04285	12.2
181.05092	21.9
187.04018	2.9
190.02725	1.1
190.06392	2.3
191.03548	1.4
192.04224	0.9
193.05040	1.9
195.06638	56.4
196.06914	1.0
202.06419	1.0
203.03537	0.9
205.05095	7.7
206.05795	1.1
210.05327	1.7
220.07442	4.1
221.08148	1.6
225.07684	4.8
235.09811	2.1
252.08597	0.6
266.05905	1.0
282.05536	0.7
315.08630	0.8
327.05142	1.0
327.08847	0.8
329.10318	3.3
339.08624	1.1
341.60873	0.6
356.12689	0.9
357.13504	1.0
359.11264	0.8
371.11182	0.7
372.12161	1.3
373.13132	1.0
385.12781	0.8
387.14688	16.8
399.14209	0.9
402.13147	2.1
403.13943	3.3
416.14728	1.1
417.15594	28.1
535.20264	6.3
547.19794	1.8
550.18604	1.9
565.20819	53.4
566.21307	2.1
607.99799	0.7
612.38110	0.7
613.12256	1.1
613.22791	2.3
613.39313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
60.08429	0.4
61.98837	3.3
62.17542	0.4
64.30054	0.4
69.08006	1.9
69.08405	1.0
71.01406	0.5
75.00895	0.4
77.90300	0.4
87.44918	0.4
93.03472	3.7
98.22606	1.2
102.42055	0.4
105.03519	0.5
109.02963	0.7
113.02445	0.5
119.53953	0.4
121.02971	5.0
122.03754	15.9
123.00931	1.2
123.04555	1.1
124.01706	0.9
125.02477	1.3
133.02974	1.4
134.03752	0.8
135.04562	0.8
136.01703	2.5
137.02454	4.4
138.03325	0.5
139.04048	0.9
149.01253	0.9
149.02460	16.5
150.03244	95.4
151.00383	4.8
151.04001	2.0
152.04874	0.5
162.03224	0.9
163.04034	0.5
164.04837	3.4
165.01952	13.1
165.05586	100.0
166.02739	9.9
166.05875	2.4
167.03474	0.8
169.01404	0.9
175.04010	0.7
177.01929	0.9
177.05600	1.0
179.03513	2.0
180.04305	13.6
181.05077	12.6
182.05481	0.5
187.04019	1.3
187.40916	0.4
190.06340	0.4
191.03625	0.5
192.04462	0.4
193.05034	1.0
194.05847	0.5
195.06647	66.9
196.07004	1.4
205.05112	2.1
206.05811	0.7
210.05353	1.6
220.07394	1.1
221.08189	1.3
225.07692	7.6
252.90866	0.4
262.76743	0.4
329.10611	0.5
357.09702	0.5
357.13583	0.8
372.12064	1.1
387.10608	1.6
387.14780	8.9
402.13211	1.3
403.13934	1.3
417.15567	12.3
418.16104	0.6
565.20538	2.5
573.42230	0.4
613.12921	0.6
613.22681	1.8
637.09509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08091	2.9
59.01382	100.0
66.51297	2.6
68.78169	2.9
71.65051	2.7
90.04666	3.6
103.01507	67.0
171.07957	3.2
171.10289	35.7
177.16336	2.8
197.11896	18.8
205.12285	3.5
209.11870	19.1
211.31850	3.3
223.13425	25.5
253.09421	3.0
465.14258	3.0
504.86621	3.6
526.44012	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	613.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82772	0.7
55.70763	0.7
57.03466	3.5
57.03702	0.6
57.20607	0.7
57.95174	0.6
59.01385	100.0
59.96087	0.7
60.01717	0.7
61.98845	2.7
66.73921	0.6
69.03465	4.9
69.08797	1.8
69.09222	3.7
71.01392	7.9
71.05040	0.9
73.02969	2.2
74.65670	0.6
83.01400	1.4
85.02961	3.8
87.00897	1.3
88.98798	0.8
89.02478	3.1
95.01414	1.3
97.02937	0.9
101.02421	3.9
113.02454	3.5
119.03559	2.1
123.00937	1.1
125.02455	3.9
135.08218	0.8
138.06946	2.9
139.11319	14.1
150.03233	1.1
151.04048	0.7
153.09235	7.5
159.03072	1.2
161.04550	6.8
165.05719	1.2
169.01505	3.3
179.05630	1.4
183.10274	84.7
184.10687	2.5
185.11913	1.4
195.06773	0.8
209.11914	2.1
225.14977	14.6
279.33334	0.8
285.04050	1.2
289.85867	0.7
387.20355	12.6
439.60806	0.8
553.30273	1.2
613.12311	1.1
613.32526	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11741	12.2
56.93788	13.7
60.73333	12.9
63.16912	12.9
67.79411	12.5
69.03915	100.0
91.32509	11.3
101.12873	11.7
116.92869	17.2
127.71717	12.3
194.07903	11.5
275.16678	12.0
365.10828	14.9
441.72354	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	613.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28633	26.4
66.70865	27.4
69.87323	34.1
69.87668	100.0
75.30958	35.2
80.96563	43.3
98.21935	61.7
305.44119	30.7
555.28442	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98837	100.0
70.95031	0.3
74.83742	0.3
90.21331	0.4
93.92088	0.3
99.25889	0.3
99.77116	0.3
107.01451	0.4
121.03039	0.4
125.02452	0.7
134.07808	0.3
161.02486	0.5
165.05634	0.3
169.01437	0.7
193.05312	0.4
285.21616	0.3
301.00122	0.7
551.22369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.6
61.98834	22.7
66.78498	3.6
75.58298	4.1
81.86723	3.6
108.23984	4.0
111.00904	3.9
123.00907	14.6
124.01693	12.0
125.02419	18.3
128.97304	3.7
151.00391	6.7
168.00633	5.2
169.01465	18.3
189.16920	3.8
267.08255	4.8
416.15894	4.1
483.18668	4.1
551.25031	100.0
551.32544	4.1
552.25238	4.3
613.29797	5.8
614.30389	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0633
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
51.79221	0.6
59.51040	0.7
60.00994	0.7
62.83580	0.6
66.65358	0.6
67.90966	0.7
69.11304	1.5
69.11720	3.5
69.53611	0.6
70.05710	0.7
96.95981	0.8
107.01419	2.3
123.00916	1.2
125.02438	5.9
133.01428	0.7
162.64677	0.7
169.01451	6.0
173.02467	0.9
185.02477	2.7
189.01965	0.9
200.01208	1.7
201.01953	1.9
216.00754	1.7
228.00710	2.3
228.99385	0.8
229.01447	2.9
231.03088	0.8
244.00157	2.1
245.00772	0.8
257.00909	2.3
270.81631	0.8
270.98877	1.1
271.99609	2.7
275.01913	1.4
282.98660	1.4
283.99719	1.5
298.98294	1.4
299.99139	42.4
300.99921	100.0
302.00128	4.3
315.01398	0.7
462.62375	0.9
463.05206	27.6
464.05670	1.5
615.06274	55.1
616.06555	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	615.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	65.4
71.01385	3.6
71.05011	5.1
72.99274	2.8
83.01383	6.9
88.98788	2.6
89.02400	1.9
98.21906	5.0
99.00888	26.8
99.04529	10.6
99.08173	2.6
101.02447	6.1
103.00378	6.4
115.04053	3.9
117.01964	10.7
117.05578	7.1
121.02998	2.4
123.00908	2.7
125.02428	10.4
135.04538	8.4
143.07108	5.3
145.01450	100.0
153.05569	2.3
161.08214	87.7
169.01442	12.3
179.03496	5.4
187.02487	4.0
203.03482	2.4
203.09280	21.7
205.03555	65.4
212.85512	2.0
217.98146	2.0
224.20950	1.9
227.03183	2.3
229.01587	2.7
249.04102	3.8
275.01935	5.9
300.99905	22.5
307.04492	2.8
354.35818	2.1
392.29800	2.0
463.14273	2.1
483.07663	2.6
615.05560	4.1
615.14948	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	615.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33417	2.4
52.31490	2.6
59.01384	5.6
61.98841	56.5
68.99776	3.0
69.33006	14.3
71.94364	2.4
105.50687	2.6
121.02959	4.6
122.03716	4.8
123.00871	5.2
123.60747	2.4
124.01765	2.6
125.02438	6.4
137.02463	20.7
144.59503	2.5
149.02441	3.7
150.03250	19.8
165.01947	100.0
165.05586	22.8
166.02591	3.9
169.01494	5.9
178.53288	2.4
179.03505	9.7
180.04315	57.8
180.06772	2.9
194.05817	4.2
195.06650	88.4
209.08200	3.6
210.05327	12.5
225.07703	86.2
226.07986	2.6
261.44476	2.7
287.09103	5.7
299.12985	2.3
301.00110	3.3
329.10501	3.6
341.10156	6.9
344.12653	4.8
359.14740	12.1
371.14908	10.9
375.89206	2.7
389.15948	3.1
405.15359	3.0
446.77393	2.6
498.38071	2.5
533.19104	2.6
615.21362	6.3
615.31152	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	615.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
58.23254	1.2
59.01394	9.8
61.98821	1.2
71.01383	4.9
71.42358	1.5
71.81348	1.2
73.02928	1.1
78.90944	1.3
81.03439	1.4
83.01400	1.2
83.05022	1.7
85.02963	1.6
87.00883	1.1
89.02431	2.6
89.19415	1.0
96.04545	1.9
97.02960	2.0
101.02444	3.3
102.43642	1.0
107.03761	3.5
109.06584	8.2
113.02433	1.8
114.18589	1.1
116.92820	1.1
120.04572	1.6
122.06135	19.7
125.09744	3.5
130.63219	1.2
134.06100	2.5
135.08183	1.5
141.65038	1.1
146.06126	1.3
148.04074	7.0
150.05605	3.7
150.09268	2.9
160.07646	7.3
161.04764	3.1
161.06102	1.1
162.05615	8.6
163.11308	7.4
169.01527	1.2
171.10281	65.5
176.10757	1.1
181.12312	3.7
183.13902	2.7
185.11928	2.4
186.05606	1.6
188.67471	1.1
200.07227	1.6
204.10298	2.4
207.10280	38.2
209.11853	3.5
213.10379	3.9
215.11974	1.0
225.11461	22.6
226.07439	3.4
227.08276	3.6
230.10745	1.6
235.08392	1.6
239.08296	4.5
239.11909	3.6
240.08965	3.6
241.09790	10.0
243.07701	1.3
243.12384	1.7
251.08612	1.3
252.09172	1.6
253.09518	9.1
254.06979	5.6
254.10643	2.0
255.07802	12.9
255.11464	8.7
256.08453	1.7
265.09949	2.0
266.10645	5.4
267.07761	11.6
267.11386	13.3
268.08524	3.5
268.12109	5.1
269.09332	11.8
282.10089	7.9
283.10901	30.9
284.11612	5.9
285.12527	2.1
297.12451	6.6
299.10397	2.4
299.14105	4.0
309.08820	3.7
311.10352	1.7
316.10507	1.6
318.13318	1.2
327.09875	100.0
328.10522	11.1
329.11392	4.0
330.08923	2.6
330.12524	1.6
331.13882	1.5
332.13950	2.1
336.09622	2.5
341.11395	10.9
342.12152	1.4
343.13309	1.3
344.10428	3.2
345.11197	3.8
345.15952	3.3
346.15631	2.6
350.11523	3.4
358.11902	1.4
359.12784	4.1
360.13522	20.0
372.13440	1.8
373.14462	1.9
374.15085	14.5
378.14728	2.2
388.16647	13.1
389.17432	9.7
390.18158	2.2
416.19760	2.6
432.15659	17.7
433.16263	8.2
434.17154	4.4
443.19168	2.7
460.18924	4.4
461.20389	6.7
464.18436	6.4
465.15512	3.9
474.20486	2.5
477.19022	5.2
478.19827	18.7
492.21469	88.9
493.21625	6.1
539.26587	2.7
555.22565	3.0
573.23175	3.1
583.25647	63.8
584.25641	5.2
597.28894	4.7
615.28595	82.7
616.28851	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	615.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13348	1.0
57.31352	1.4
57.36162	1.2
59.01383	100.0
69.26228	4.2
69.26633	2.4
72.92684	0.9
103.00370	3.5
103.01507	63.1
109.06590	8.4
163.11258	4.4
171.10281	34.6
176.01315	1.2
207.10268	25.0
223.82487	1.1
225.11298	10.1
235.08263	1.6
253.09180	3.5
269.80756	1.3
273.52948	0.9
307.46292	1.1
461.20267	3.1
538.70795	1.4
570.46552	1.3
615.30249	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	615.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41441	0.4
57.03447	1.5
59.01383	100.0
61.98846	0.7
69.03466	2.3
71.01392	3.6
71.05044	0.7
73.02966	1.0
77.36071	0.4
85.02957	0.9
89.02471	1.8
95.01410	0.6
96.96058	0.7
99.00888	0.7
101.02434	2.8
104.51859	0.4
107.01398	1.5
111.08147	0.5
113.02505	2.0
115.92090	0.5
123.00896	1.0
124.01691	1.6
125.02468	4.3
139.11314	7.7
155.10815	1.3
161.04547	5.2
161.05704	0.6
165.01875	0.6
165.05556	0.6
169.01427	5.9
171.10353	1.2
183.10280	40.8
184.10657	1.3
222.84651	0.5
225.11378	0.7
227.16498	3.2
229.29343	0.5
275.02075	0.5
389.21823	7.9
615.31805	15.9
616.32117	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	615.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37777	85.3
75.28697	80.0
76.18649	86.3
94.82405	78.2
183.21909	100.0
224.05066	91.3
264.31464	94.1
468.97195	88.7
484.07990	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99785	2.9
61.98839	100.0
70.75504	2.7
135.15407	2.7
176.14702	2.8
177.65752	2.9
179.71481	2.3
492.21057	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	616.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
86.57705	44.2
160.84254	100.0
182.79265	39.7
300.49341	40.7
349.76727	39.6
599.79443	44.7
616.19562	47.6
617.38367	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17725	0.8
59.01384	100.0
60.01751	0.9
61.98848	1.1
63.14419	0.8
69.73238	1.6
115.02513	6.1
117.00466	5.5
132.98222	4.8
138.98615	0.8
141.00455	1.7
159.01508	56.8
160.01657	3.4
161.01328	1.1
174.99265	41.9
192.95914	2.4
196.37871	0.7
201.02570	11.8
217.00322	78.4
218.00604	0.9
232.98311	2.4
246.46992	0.7
248.96202	0.9
259.01605	0.8
274.33127	1.0
274.99319	5.2
290.97180	2.3
301.02664	23.6
302.02759	1.1
317.00430	59.0
318.00537	2.3
332.98203	19.1
335.59103	0.8
359.01605	4.4
374.99277	26.8
389.39014	0.8
432.98007	1.0
458.95694	0.8
459.01334	4.6
474.99359	24.7
475.99521	1.4
516.33191	0.9
556.98456	31.6
557.98676	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1155
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03437	9.8
57.57446	2.4
59.01361	3.8
61.98817	3.8
70.56678	4.2
71.01370	4.6
71.65900	2.6
75.00877	27.6
93.11363	2.3
107.01398	8.2
108.02165	18.2
109.02924	3.4
111.00879	4.3
121.02974	14.5
123.00895	10.1
123.04521	10.3
125.02467	100.0
126.02862	2.9
133.02942	12.1
137.02425	5.0
139.03995	4.8
149.02426	11.6
150.03244	19.4
151.00377	14.5
151.03992	10.6
152.01170	42.3
153.01860	3.9
154.99239	2.5
161.06068	4.4
163.00432	3.7
165.01961	9.6
165.05566	14.4
167.02122	5.1
167.03502	66.0
169.01445	51.7
175.04004	8.3
176.01202	6.0
177.01891	8.6
178.99808	4.6
180.04259	2.9
181.05098	5.9
188.04884	3.7
189.05566	16.0
193.04942	3.0
195.06711	15.3
209.45953	2.5
215.03529	4.5
217.05070	40.8
218.02229	3.3
218.05283	3.3
219.02972	4.3
225.04106	18.3
245.37531	2.7
259.06165	38.2
267.02893	3.7
275.02118	3.7
275.05405	3.4
284.03241	6.4
285.04095	70.3
286.04352	3.3
300.99786	10.8
313.05646	17.7
381.08148	4.2
421.11520	13.1
447.09329	41.3
463.08731	13.4
465.10559	32.0
473.70816	2.6
511.15384	3.4
559.18195	20.5
573.12854	16.7
579.45795	3.1
595.06696	3.0
599.10535	42.4
600.10895	4.1
617.11414	86.6
617.20129	4.9
618.10754	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	617.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.8
57.57446	2.4
59.01361	3.8
61.98817	3.8
70.56678	4.2
71.01370	4.6
71.65900	2.6
75.00877	27.6
93.11363	2.3
107.01398	8.2
108.02165	18.2
109.02924	3.4
111.00879	4.3
121.02974	14.5
123.00895	10.1
123.04521	10.3
125.02467	100.0
126.02862	2.9
133.02942	12.1
137.02425	5.0
139.03995	4.8
149.02426	11.6
150.03244	19.4
151.00377	14.5
151.03992	10.6
152.01170	42.3
153.01860	3.9
154.99239	2.5
161.06068	4.4
163.00432	3.7
165.01961	9.6
165.05566	14.4
167.02122	5.1
167.03502	66.0
169.01445	51.7
175.04004	8.3
176.01202	6.0
177.01891	8.6
178.99808	4.6
180.04259	2.9
181.05098	5.9
188.04884	3.7
189.05566	16.0
193.04942	3.0
195.06711	15.3
209.45953	2.5
215.03529	4.5
217.05070	40.8
218.02229	3.3
218.05283	3.3
219.02972	4.3
225.04106	18.3
245.37531	2.7
259.06165	38.2
267.02893	3.7
275.02118	3.7
275.05405	3.4
284.03241	6.4
285.04095	70.3
286.04352	3.3
300.99786	10.8
313.05646	17.7
381.08148	4.2
421.11520	13.1
447.09329	41.3
463.08731	13.4
465.10559	32.0
473.70816	2.6
511.15384	3.4
559.18195	20.5
573.12854	16.7
579.45795	3.1
595.06696	3.0
599.10535	42.4
600.10895	4.1
617.11414	86.6
617.20129	4.9
618.10754	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	617.1158
Annotation	Taxillusin
Peak:m/z	Relative Intensity
59.01370	4.1
61.98832	3.7
69.03458	3.3
69.35587	4.0
71.01393	4.0
72.99339	1.6
73.02944	1.4
79.01895	1.9
81.03460	2.3
82.95412	3.2
83.01433	1.8
84.55524	0.9
85.02983	1.2
87.00882	1.2
93.03468	3.3
95.01418	2.5
97.02956	2.1
101.02481	1.9
107.01407	13.4
109.02985	1.8
111.00884	2.4
113.02433	2.5
123.00877	12.4
124.01707	9.3
125.02458	79.9
127.00462	1.4
137.02457	6.0
139.00383	3.6
140.01160	2.7
141.01952	1.7
147.37509	0.9
149.80063	0.9
150.04257	1.1
151.00383	8.5
151.04016	8.8
161.02525	1.4
163.04008	2.2
165.01968	1.3
166.99881	1.3
167.03452	1.6
168.00665	6.4
169.01436	83.2
170.01706	1.8
178.99785	1.3
183.03009	2.6
191.03510	2.7
193.01485	2.2
211.02553	2.8
221.04649	3.3
232.98763	1.1
241.98163	1.2
259.02124	1.1
291.01791	1.2
295.04730	5.1
313.05701	12.1
447.09357	4.2
465.06888	7.7
479.08389	3.0
491.02634	2.7
617.11560	100.0
618.11517	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	617.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99317	19.5
69.36090	7.1
71.01389	2.5
88.98815	73.5
93.60316	1.9
95.01424	2.0
98.22581	4.1
107.01411	7.8
109.02963	1.6
113.02464	2.2
117.55352	1.7
123.00893	17.2
124.01715	9.8
125.02460	36.6
139.00392	3.4
140.01173	4.2
141.01987	3.3
149.02467	3.9
150.03232	13.3
150.64372	1.7
151.00391	6.1
161.02515	2.2
165.05602	6.2
166.99945	2.4
168.00661	8.3
169.01443	51.3
183.03000	6.1
195.06500	1.6
207.99554	1.7
211.02673	2.3
225.04077	4.1
231.03142	1.9
249.03967	4.1
271.04761	2.7
275.02008	7.7
285.06281	4.7
300.99957	3.9
313.05795	16.6
315.01556	2.4
385.07797	3.9
458.03110	2.8
459.25400	2.2
479.12091	30.4
509.13116	6.5
527.14105	100.0
528.14270	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	617.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52885	1.8
55.73372	1.7
59.66955	1.8
61.98820	3.8
82.02952	3.3
84.95110	1.9
93.03447	2.7
121.02998	4.2
122.03767	12.7
125.02557	2.0
148.04033	7.9
149.02423	14.8
149.04863	4.4
150.03244	79.7
150.05609	8.7
150.09329	2.3
158.43048	1.7
160.03966	2.3
161.04984	2.2
164.04787	2.8
165.05577	89.0
171.10297	2.8
173.03503	2.3
173.28514	1.7
174.04378	10.3
175.04016	16.1
175.05196	2.5
177.05588	2.3
180.04306	5.2
181.04980	2.0
189.06673	5.7
190.06090	4.1
190.07739	9.5
195.06642	64.5
196.06998	2.2
209.11900	2.7
217.09924	2.0
218.05875	4.6
222.05350	7.2
231.07829	4.3
232.08562	14.4
233.09251	2.4
235.38177	2.8
238.06393	2.3
244.08580	6.1
245.09317	3.7
250.06393	1.8
262.09610	2.1
266.05701	2.9
268.15311	1.7
278.05832	2.5
286.09586	2.1
295.06293	2.2
295.10016	2.2
299.14001	4.9
304.10605	2.3
306.05374	4.0
307.06137	4.6
309.03940	2.2
310.04568	4.0
321.07629	13.8
322.04785	3.2
322.08429	5.6
323.09146	5.8
324.06335	4.3
325.07147	12.1
336.09915	6.8
337.07236	13.7
337.10828	3.5
339.08762	14.6
340.09482	12.9
341.10178	4.1
352.09451	6.1
353.10349	2.2
354.11050	8.9
355.11923	45.3
367.11905	81.8
368.12042	4.3
382.17694	14.9
394.17935	2.7
418.17981	2.4
436.18762	9.3
437.17105	2.8
454.19873	42.3
465.09567	2.0
467.16837	2.5
503.17114	19.2
515.16956	7.5
533.18243	54.1
534.18439	2.4
551.19446	30.4
581.20349	100.0
582.20532	3.9
617.25940	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	617.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26264	1.0
59.01368	3.2
61.98833	4.9
62.50131	1.1
69.13872	7.2
82.95432	1.3
93.25190	1.1
97.94798	1.0
107.01415	2.5
121.05315	1.3
123.00876	2.8
124.01707	1.7
125.02459	10.3
134.06151	4.5
136.07689	28.2
137.77344	1.2
138.09253	1.7
147.86787	1.2
150.03223	2.2
151.03879	1.1
157.07608	1.6
162.05579	9.0
165.01962	2.1
165.05589	2.2
166.06331	1.5
169.01439	10.0
173.10805	6.1
185.10811	4.7
194.92833	1.3
195.06683	4.1
197.10834	12.6
198.08029	1.9
198.11574	1.4
199.08783	15.3
200.88631	1.4
212.13139	1.3
213.13966	22.4
223.08577	1.1
225.10440	2.5
237.10385	3.6
238.11140	2.6
239.11903	100.0
240.12254	3.7
252.11346	1.7
260.13730	1.3
279.13873	2.1
283.81543	1.2
291.13690	2.4
303.01688	1.5
308.17715	23.8
313.05872	1.4
318.12384	4.3
319.17841	3.3
320.17664	5.2
332.14172	3.1
333.14816	4.0
336.20816	10.9
344.17368	2.6
345.15173	1.3
347.16406	1.9
360.17188	6.3
362.18747	94.5
363.18866	4.6
378.18213	2.3
380.19800	56.8
381.20010	2.9
392.19925	7.2
406.12366	1.8
406.17740	36.0
407.17758	3.6
410.20883	13.9
424.18811	74.0
425.19052	4.1
436.18900	7.1
454.19867	9.8
465.06921	6.6
543.26221	20.4
544.26416	1.5
573.27191	3.7
587.25061	26.5
588.25751	2.3
617.11523	7.7
617.26154	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	617.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70306	1.0
59.01376	1.5
59.60109	0.8
61.98832	2.1
69.07008	6.6
83.02431	0.9
90.21218	1.0
92.03261	1.0
121.05319	1.9
124.07692	1.4
134.06120	4.5
136.07698	27.4
137.44589	1.0
138.09279	1.7
145.07765	1.1
151.22067	1.0
157.07753	1.7
162.05650	7.8
169.01451	1.5
173.10890	6.5
174.88864	0.9
180.06712	1.3
182.08168	1.0
185.10883	5.9
195.80588	1.1
197.07080	1.4
197.10869	13.3
198.11465	1.4
199.08778	16.6
213.13998	23.7
215.69276	0.9
221.10893	1.1
236.03754	1.0
237.10274	2.2
238.11165	3.7
239.11914	100.0
240.12274	2.6
252.11285	2.3
257.13153	1.3
265.17026	1.3
291.13708	1.2
293.20200	1.9
306.16122	1.3
307.16714	1.1
308.17731	23.3
309.17862	1.4
318.12512	4.0
318.16180	1.1
319.17856	1.5
320.17621	5.3
332.14059	1.7
333.14835	5.8
334.19324	1.4
336.20914	9.9
344.17664	1.7
345.14841	1.1
347.16440	2.2
351.56912	0.9
360.17154	6.8
362.18768	95.9
363.18881	3.8
378.18304	2.2
380.19833	64.2
381.20120	2.9
392.19827	8.6
406.17743	35.8
407.17731	2.9
410.20825	10.7
411.21652	1.2
424.18802	73.7
425.19135	4.4
436.18753	7.2
454.19888	7.5
543.26160	15.7
564.58075	1.1
573.27484	1.8
587.25195	20.0
588.25470	1.8
617.26221	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	617.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72761	0.9
53.44821	1.0
59.01379	2.2
60.71906	1.1
65.59743	1.0
69.77658	1.8
70.20943	0.9
82.02988	5.5
96.04520	1.1
98.22664	1.7
104.93734	1.0
108.04513	1.9
112.04099	1.2
120.04531	3.1
132.04512	1.0
136.07669	3.0
137.27019	0.9
139.02777	1.3
141.78766	1.0
147.03252	2.9
148.04060	21.8
149.04843	10.6
150.05620	25.7
150.09239	4.5
154.05080	3.6
160.04037	3.9
161.04872	8.5
162.05528	2.5
163.02710	2.3
164.03497	6.7
171.10323	4.0
173.03568	8.5
173.04831	2.1
174.04347	32.2
174.05516	1.6
175.02820	1.7
175.05148	6.5
175.06229	5.4
186.05594	3.3
187.06371	3.1
188.07208	2.2
189.06703	12.6
190.05008	1.5
190.07481	33.1
191.05965	1.3
191.08232	4.0
200.07196	4.3
201.07919	4.8
202.07437	4.7
202.09001	2.3
203.05965	2.3
203.08228	2.4
204.10222	1.1
209.11852	3.6
213.06580	1.9
213.10391	1.3
214.05109	1.4
214.11150	3.6
215.08173	2.1
216.06718	1.5
217.07547	2.7
217.09839	3.7
228.06644	3.1
231.07718	14.3
232.08536	48.3
233.09258	6.2
241.09901	2.1
242.08276	3.9
242.10484	1.9
243.07671	3.7
243.09048	1.1
243.11278	1.4
244.08270	13.5
245.06873	2.5
245.09323	4.0
246.07695	2.3
262.09540	3.1
267.07782	1.5
268.08542	2.2
285.08771	2.9
286.09732	8.8
287.07681	1.1
288.08694	1.4
289.09644	5.1
289.12509	1.3
299.14041	13.2
303.09778	2.3
304.10623	4.6
324.13660	9.3
325.11826	3.7
353.15085	1.4
382.17755	37.4
383.18045	2.8
393.18155	2.5
394.17798	9.3
395.15991	3.2
412.18744	4.0
418.17694	3.1
436.18747	20.1
437.17551	5.5
449.15851	2.5
454.19861	100.0
455.20224	7.0
467.16928	8.1
473.70932	1.0
487.20123	1.4
545.24060	4.3
575.25861	1.5
588.71661	1.3
599.25208	4.3
617.26233	22.6
617.35455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.1
59.01385	6.2
61.98829	13.1
62.03447	1.1
65.99850	1.3
68.16111	1.1
69.46306	2.7
69.46713	3.3
71.01401	1.5
73.02963	1.2
82.02979	6.9
83.05028	2.8
89.02452	1.3
101.02473	1.6
108.04544	2.8
112.04052	2.3
113.02460	2.0
120.04528	3.3
124.04084	1.6
129.05605	1.2
136.04018	1.1
136.07700	4.2
138.05557	1.5
147.03253	3.5
148.04068	23.1
149.04848	13.7
150.05618	31.0
150.09253	6.3
154.05116	2.4
160.04045	3.0
161.04880	9.3
162.05598	3.1
163.02715	1.8
163.11357	1.7
164.03542	7.3
169.01459	2.6
171.10286	30.8
173.03606	8.3
174.04335	30.9
174.05600	1.7
175.02663	1.6
175.05124	11.1
175.06429	5.1
176.05994	1.6
177.06633	1.3
178.08691	1.9
186.05637	2.6
187.06400	3.1
188.07237	2.2
189.06682	15.5
190.07498	38.1
190.09229	2.1
191.05849	2.5
191.08217	3.7
200.07195	3.6
201.08011	4.3
202.07272	5.8
202.09079	1.9
203.05977	1.9
203.08205	2.2
209.11847	23.0
213.10181	2.2
214.11136	4.4
215.06120	1.5
215.08220	2.5
217.07445	3.2
217.09840	4.4
227.12912	4.3
228.06657	3.5
231.07755	14.9
232.08525	48.6
233.09245	7.7
241.09866	2.5
242.08177	4.3
243.07829	4.5
244.08290	13.4
245.06926	2.7
245.09311	7.0
246.07663	1.5
253.09276	2.0
255.75095	1.3
261.08878	1.3
262.09622	3.4
267.07800	1.9
268.08621	2.6
285.08841	4.9
286.09705	9.6
287.07651	1.4
289.09512	3.2
299.14011	13.0
303.09915	2.5
304.10635	2.6
324.13641	7.6
325.12018	1.6
337.10464	1.8
340.16696	1.7
351.44217	1.3
353.15070	1.6
376.12469	1.3
377.13724	1.3
382.17755	37.8
383.17734	3.3
393.18201	2.8
394.17822	10.3
395.15833	2.6
412.18689	4.0
418.17795	2.7
436.18839	23.0
437.17032	7.7
438.17099	1.9
449.16058	2.2
454.19861	100.0
455.20126	6.7
466.16190	3.4
467.16882	6.6
545.24115	4.8
575.25049	1.9
599.24884	5.5
608.92035	1.3
617.26257	27.9
618.26593	3.3
647.52667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
60.80086	0.4
65.50861	0.4
70.48964	1.1
71.01394	2.4
73.02982	0.8
80.02668	0.7
81.03475	0.7
83.01394	0.9
83.05051	3.8
84.02209	0.6
85.02942	0.7
89.02457	2.3
101.02460	3.2
113.02469	1.1
119.03549	0.6
125.02402	0.5
125.09756	0.8
127.11266	1.6
135.08202	0.9
148.04073	1.3
149.04854	0.8
150.05624	1.5
150.09216	0.8
153.09163	0.7
161.04698	0.5
163.11301	3.2
165.12834	2.4
171.10280	100.0
172.10625	2.3
174.04335	1.7
179.05679	0.8
190.07504	1.5
191.10820	1.2
202.08817	0.6
209.11838	93.6
210.12202	3.7
215.11897	1.5
227.12901	12.0
231.07814	0.9
232.08647	2.4
235.08234	3.7
241.09842	2.6
242.10370	0.7
244.08507	1.1
253.09308	6.9
285.08984	0.9
286.09534	1.0
299.13864	1.0
303.09796	2.0
363.21869	0.7
375.16733	0.6
382.17670	2.5
394.17871	1.2
407.19284	1.5
418.17474	0.6
436.18631	1.8
437.17130	0.6
454.19751	8.7
455.20059	0.6
617.26465	1.2
639.57263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67721	8.4
59.01384	100.0
61.98818	8.8
64.02255	9.5
69.99980	11.3
70.00307	19.1
75.00869	11.4
78.95927	12.4
82.22495	9.3
85.62341	10.4
91.22398	9.1
93.11396	9.2
103.01506	73.1
150.53093	9.0
163.51212	11.5
209.11887	11.5
354.96564	10.6
417.99280	10.4
582.96326	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	617.3488
Annotation	Garcinielliptone FB
Peak:m/z	Relative Intensity
61.98815	0.9
69.37267	1.4
69.37666	2.1
72.66061	0.6
77.26229	0.7
98.22703	0.8
100.04209	0.6
117.03476	25.8
118.89642	0.6
119.05028	3.3
138.61765	0.6
145.02965	100.0
146.03296	1.7
163.04013	2.7
375.22791	0.6
439.28275	0.8
453.30432	0.8
521.71436	0.7
617.34857	62.7
618.35651	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3849
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
65.37653	0.3
85.00413	0.4
88.42390	0.4
117.22621	0.3
133.02969	8.4
134.03757	2.7
135.04544	2.9
137.02457	1.1
161.02457	21.2
179.03500	1.0
258.15601	0.3
617.38489	100.0
618.38867	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	617.385
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.98907	0.6
58.44787	0.6
69.82202	1.1
69.82545	1.8
78.95901	0.9
105.56251	0.6
132.02168	1.0
133.02045	1.4
133.02971	15.3
134.03778	5.0
135.04543	4.1
137.02452	0.9
161.02463	31.1
179.03522	0.8
212.91063	0.6
221.77078	0.7
255.81209	0.6
404.12668	0.9
451.42947	0.8
489.40759	0.7
503.24658	0.8
573.39551	21.0
574.39966	2.0
617.38489	100.0
618.38812	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	617.3855
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
63.81665	1.4
70.48545	2.1
117.03478	29.9
118.04257	1.2
119.05038	7.8
145.02969	94.5
145.57118	1.4
146.03387	1.4
163.04115	1.7
166.82574	1.3
357.44296	1.2
497.32825	1.5
573.39270	1.9
617.38507	100.0
618.38892	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	617.3853
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.44802	0.5
70.12045	0.5
77.97872	0.5
86.91081	0.5
98.22713	1.1
117.03478	29.8
118.04256	1.2
119.05034	7.1
121.02937	1.2
133.12045	0.5
145.02966	97.7
146.03311	2.0
162.03230	0.8
163.04021	1.7
435.86630	0.6
439.31842	0.7
453.33588	1.2
497.32797	1.7
514.39154	0.6
617.38507	100.0
618.38788	9.1
637.10529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.385
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.37315	0.2
53.46453	0.2
58.05298	0.2
69.77950	0.7
93.03429	0.2
117.03477	26.0
118.03725	0.3
118.04315	0.5
119.05040	7.7
121.02969	1.4
123.04519	0.4
145.02962	100.0
146.03300	1.9
162.03282	0.6
163.03989	1.7
165.31726	0.3
247.24570	0.2
356.86710	0.3
445.34656	0.3
453.33527	1.7
490.78500	0.3
497.32761	1.5
573.39923	0.4
587.91809	0.3
617.38477	98.4
618.38806	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	617.385
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
69.54145	3.2
98.21939	1.8
117.03472	30.5
119.05050	8.0
119.05843	1.2
130.51601	0.8
144.45020	0.8
145.02960	100.0
146.03238	2.0
160.69298	0.8
163.04028	2.6
231.35896	0.8
232.87708	0.8
242.89128	0.8
307.19028	1.6
309.20389	0.9
381.29819	0.9
453.33862	0.9
477.08698	0.9
497.33371	1.1
525.19232	0.9
573.39233	1.2
617.38470	96.5
618.38812	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	618.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.8
56.59279	1.2
57.03446	1.9
59.01382	100.0
68.02544	17.7
68.21185	1.1
69.03455	2.4
71.01388	72.0
72.99295	1.6
73.02950	25.4
76.71966	1.2
79.63713	1.0
81.03447	1.9
82.04087	1.2
82.91920	1.2
83.01391	12.6
83.05802	1.1
85.02953	19.3
87.00885	6.6
89.02451	67.8
95.01392	5.0
97.02954	13.8
99.00889	3.1
101.02451	69.1
113.02462	32.0
115.04008	3.3
119.03514	28.0
125.02454	4.6
126.99582	43.9
131.03519	6.9
143.03510	16.4
148.04077	2.8
149.04590	2.9
150.05574	2.2
159.02982	2.5
161.03220	2.7
161.04565	47.8
166.09897	10.5
171.10335	3.2
171.54193	1.1
173.03445	1.2
174.04379	2.9
175.04716	1.5
179.05624	34.2
180.90228	1.1
181.00351	1.2
190.07433	3.6
209.11870	4.2
221.06703	8.6
221.33496	1.3
232.08443	5.8
233.08897	2.0
244.08330	2.1
245.06627	4.1
245.08937	2.3
263.07874	7.9
286.09714	1.4
323.09784	1.8
382.17639	2.5
383.17938	3.2
392.71683	1.3
424.44464	1.2
437.18814	1.4
454.19766	4.1
455.20221	11.5
456.15347	1.4
516.17456	1.4
618.20648	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	618.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98838	100.0
67.45756	0.5
71.37988	0.5
71.43626	0.6
125.02462	2.2
136.94568	0.6
167.45973	0.5
321.17810	0.7
434.57629	0.6
466.10959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24705	5.6
55.03767	6.1
59.01385	13.3
61.98830	12.6
64.29823	5.3
70.64271	11.1
116.93737	5.5
150.09262	5.3
155.30803	5.6
163.11226	7.0
171.10260	30.4
172.10663	11.3
207.94354	6.0
209.11842	100.0
210.12160	10.1
227.12984	15.0
232.23222	5.9
241.09796	14.0
455.19946	11.4
539.93390	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	619.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
69.03451	0.9
69.43407	1.1
69.43743	2.8
69.63197	0.8
71.01381	2.6
79.01890	1.3
81.03450	1.3
85.02956	1.4
89.02463	1.1
95.01380	3.1
96.95994	1.5
97.02977	1.2
101.02400	1.0
107.01422	6.0
108.01476	1.3
108.02187	22.5
109.02980	7.5
111.00899	1.8
113.02477	1.4
123.00910	11.7
123.04523	1.1
124.01685	11.2
125.02466	43.6
135.04498	2.4
135.77470	0.9
136.98885	0.8
139.00359	2.8
140.01215	1.2
141.01918	1.5
147.04524	1.4
149.02402	1.8
150.03194	2.4
151.00380	6.5
151.99965	1.6
152.01172	29.8
153.01985	4.7
155.53958	0.9
156.04041	0.8
163.04039	1.1
165.05577	2.1
166.99915	1.1
168.00664	8.2
169.01447	53.4
170.01799	1.4
179.03441	2.2
185.26355	0.8
187.03940	1.0
193.01410	1.3
193.98596	4.6
194.47862	0.9
194.99330	2.6
203.03673	0.8
203.10127	0.9
211.02480	2.8
240.23840	0.8
271.04633	1.0
287.09082	1.6
295.04758	2.0
297.06183	2.9
300.99747	1.1
313.05740	10.5
315.07397	1.3
319.91571	0.8
343.11838	1.0
405.08154	3.6
423.09506	4.9
425.49088	0.9
449.07205	4.1
465.06900	3.8
467.07947	4.6
575.10468	17.1
601.08203	2.4
619.09436	100.0
620.09979	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	619.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99352	0.4
55.24736	0.4
57.47227	0.5
59.01386	6.3
64.68372	0.4
67.01900	0.7
69.03468	0.9
69.37876	2.1
71.01396	5.1
73.02983	0.7
79.01911	1.2
81.03479	1.6
83.01392	0.8
83.15984	0.4
85.02953	2.2
87.00864	0.4
89.02452	3.2
89.48129	0.4
95.01430	2.0
96.96016	0.5
97.02974	1.5
101.02441	2.5
107.01395	5.8
107.83696	0.4
108.02180	1.4
109.02956	0.6
111.00902	1.5
113.02478	3.0
119.03532	1.7
121.02995	0.7
123.00900	9.2
123.04533	5.3
124.00995	0.3
124.01685	12.4
125.02466	41.0
126.02899	0.5
135.04543	6.5
136.98831	1.0
137.02402	0.7
139.00392	2.2
140.00212	0.4
140.01172	2.5
141.01994	1.3
149.02480	0.5
149.06140	0.7
150.03221	1.6
151.00395	5.0
151.04076	0.7
152.01155	1.5
153.01944	1.5
153.05588	4.8
161.02420	0.5
163.04022	0.5
165.05566	2.7
166.99821	0.5
168.00665	6.5
169.01447	46.4
170.01839	0.7
177.05559	0.5
179.03479	1.1
195.06662	1.3
209.04688	0.5
211.02501	4.3
237.04025	0.7
241.03618	0.6
271.04559	2.8
275.01819	0.5
295.04791	0.8
297.06293	0.6
297.09918	1.8
301.00043	0.8
313.05652	3.4
315.10873	4.4
449.11322	3.0
465.06784	1.0
467.12094	12.8
467.18533	0.9
535.61932	0.5
575.10541	1.2
619.13159	100.0
620.13495	8.2
634.73370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69997	0.6
59.01396	0.8
61.76830	0.7
67.01891	0.9
71.01385	5.9
81.03465	1.3
81.62283	0.7
85.02990	1.1
95.01393	2.3
96.96024	0.8
97.02959	1.2
101.02463	1.3
107.01405	9.0
111.00871	1.0
113.02454	1.3
123.00893	10.2
124.01693	8.4
125.02460	49.8
126.02759	0.8
127.00451	0.8
127.77994	0.7
136.98740	0.8
137.02469	0.8
138.03233	0.8
139.00363	2.5
140.01161	1.5
141.01970	1.4
149.02489	0.8
151.00414	6.9
153.01924	0.8
153.05611	1.4
166.99873	1.3
167.03528	1.0
168.00665	5.7
169.01447	73.0
170.01753	0.9
193.01460	3.5
195.48572	0.7
197.23289	0.6
211.02480	3.9
218.79153	0.7
223.02536	1.6
253.03523	1.2
270.03394	0.7
295.04623	2.6
297.06143	3.5
300.99918	0.9
302.00476	0.9
313.05719	22.2
465.06784	100.0
466.07172	4.5
467.11935	4.2
532.71643	0.9
619.13214	6.9
619.22418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.59276	0.6
61.98822	0.5
67.01881	0.5
68.55829	0.6
69.03462	0.7
69.20222	3.1
69.20609	0.9
71.01401	1.9
81.03474	1.1
84.34113	0.5
85.02953	0.6
95.01395	0.8
101.02442	0.9
107.01395	14.4
108.64089	0.7
111.00929	0.7
113.02492	1.1
123.00912	5.2
123.04549	7.3
124.01683	4.7
125.02457	61.8
126.02811	0.7
135.04536	2.5
137.02487	1.0
139.00330	0.8
140.01181	1.1
141.01814	0.6
149.02406	0.6
150.03325	1.3
151.00363	3.3
153.04437	1.1
153.05591	12.5
165.01927	0.9
165.05592	1.7
168.00629	2.5
169.01436	100.0
170.01778	2.0
195.06615	0.8
211.02504	2.5
217.01982	0.6
253.03563	0.7
300.99866	1.2
305.06696	38.1
306.07080	1.3
313.05688	25.5
331.06689	0.9
467.11963	60.4
468.12149	2.4
483.07730	1.6
539.21417	1.8
571.21619	0.9
619.13055	45.7
620.13568	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	619.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29076	3.8
54.19633	3.5
59.01385	11.2
61.98832	22.1
66.45377	3.6
69.17399	25.3
72.30173	4.5
73.81956	4.2
80.22846	4.2
83.01337	4.5
83.09147	4.6
86.52972	5.0
96.64678	3.8
122.03761	4.8
123.04527	4.1
129.67018	4.0
149.02419	7.6
150.03236	53.8
152.93672	3.7
164.04800	4.9
165.01971	6.1
165.05586	85.4
169.01436	10.4
180.04260	6.5
195.05000	7.6
195.06668	100.0
199.69545	4.9
226.08142	5.0
299.18973	4.2
339.08734	6.8
357.13373	27.4
369.13458	45.2
583.21899	11.1
619.20367	6.8
649.07581	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	619.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
61.98813	2.9
110.17863	2.6
135.06926	5.0
138.09215	6.4
138.92303	2.6
148.04089	4.9
149.04837	2.5
150.03271	8.7
150.05644	7.6
150.09247	27.9
160.04120	3.6
161.07224	3.2
164.03552	3.6
165.05568	16.8
174.04431	4.2
187.08803	9.4
190.07442	8.3
195.06589	17.1
198.39572	2.9
199.08829	3.9
213.06699	3.3
213.10295	6.4
214.11038	7.4
215.08246	8.4
215.11899	33.4
223.66029	2.6
232.08571	9.8
233.09145	3.7
241.09846	100.0
242.08237	3.3
242.10538	6.0
259.10901	13.6
261.68069	2.9
267.07941	3.4
268.08417	3.6
285.08789	12.7
286.09650	11.3
303.09897	38.7
313.99374	2.9
331.18295	4.6
367.11752	5.8
375.17072	18.4
382.17691	5.8
387.14474	4.1
393.18396	14.5
418.17868	4.7
436.18665	21.7
437.17477	3.2
454.19855	62.3
455.20193	5.6
456.20462	4.9
468.17761	38.0
469.17929	6.8
557.36835	3.3
572.63715	2.9
601.26654	4.7
619.27771	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	619.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20934	7.3
63.43591	8.2
66.60551	7.8
67.35142	7.7
70.69107	17.5
115.05004	9.2
120.04482	10.4
141.72015	9.3
148.03998	27.2
149.04816	16.6
150.03256	46.2
150.05600	24.8
151.03781	8.7
160.04085	14.5
164.03517	20.3
165.05588	59.0
173.03581	15.7
174.04321	38.5
179.21957	9.0
188.07169	9.8
189.06682	14.0
190.07513	45.9
195.06641	52.3
200.07152	15.3
203.07751	8.3
214.11053	11.3
231.07657	14.3
232.08507	59.5
233.09123	14.8
234.60234	7.8
244.08519	19.7
269.11929	8.6
299.13959	28.2
355.11630	11.0
367.11969	20.3
382.17703	27.5
383.17749	10.0
384.18253	10.7
387.14664	17.8
394.17807	13.8
436.18811	15.2
454.19867	100.0
455.20068	17.7
456.20819	16.0
469.18237	20.0
533.18134	14.9
535.19757	21.1
547.25348	17.8
581.20538	15.2
601.26794	13.2
619.27313	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
65.00332	0.8
67.01894	0.9
68.33153	0.5
68.99806	0.5
69.03445	1.4
69.37843	1.9
71.01382	1.4
72.99306	0.7
79.01894	1.0
81.03439	1.4
82.00580	0.6
83.01397	0.7
85.02933	0.9
86.00114	0.6
95.01397	2.3
97.02958	1.9
99.00858	0.6
101.02464	1.2
101.26266	0.5
107.01387	8.4
111.00893	2.8
113.02431	0.5
123.00892	12.3
124.01675	15.4
125.02456	43.6
126.02728	0.5
127.00382	0.8
136.98799	2.0
137.02313	0.7
139.00388	4.7
140.01158	5.3
141.01936	2.0
151.00397	8.1
153.01979	0.7
154.99936	0.6
163.03957	0.6
166.99890	1.0
168.00659	11.5
169.01437	45.8
170.01773	0.7
179.03491	0.7
181.01443	0.8
193.01489	0.5
211.02467	3.0
237.04147	0.7
241.09810	1.1
269.03098	0.6
271.04501	1.3
285.08569	0.6
303.09787	0.7
313.05515	1.1
347.73550	0.5
418.09116	0.6
449.18204	4.6
454.19687	0.7
467.19254	13.5
526.91968	0.5
618.46759	1.0
619.20343	100.0
620.20490	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	619.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.4
65.81367	2.3
71.01385	10.1
71.42152	2.1
71.42680	2.5
85.02975	5.7
87.97105	2.2
89.02455	6.6
96.96022	48.2
101.02454	5.0
112.63287	2.1
113.02473	4.9
119.03482	2.6
121.06610	22.6
123.00899	7.0
124.01643	5.7
125.02439	13.3
128.65535	2.1
139.07675	51.8
147.93719	2.4
151.00304	3.8
168.00676	3.6
169.01396	14.2
178.34911	2.2
183.06636	100.0
184.06993	2.7
185.21300	2.2
197.04454	3.2
211.02512	2.5
253.98766	2.4
398.17719	2.4
435.13013	49.2
473.06149	2.3
494.68494	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	619.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.5
61.98823	0.8
65.00332	0.9
67.01894	0.8
69.03462	1.7
71.01378	1.8
82.93028	0.8
86.00147	0.7
87.00895	0.9
89.02504	1.2
95.01395	1.9
97.02959	1.9
101.02441	1.9
107.01397	10.5
110.00129	1.0
111.00880	3.4
119.03475	0.8
121.44553	0.7
123.00896	12.5
124.01684	16.1
125.02462	44.9
127.00397	1.1
136.98871	1.3
139.00391	5.6
140.01161	6.0
141.01936	2.8
151.00360	6.8
153.01895	1.2
154.99934	0.9
166.99838	1.4
168.00662	11.3
169.01440	42.5
182.02255	1.1
196.53841	0.8
211.02547	1.6
241.09883	0.9
271.04514	1.1
283.17755	0.8
303.09766	1.2
313.05518	1.4
385.47604	0.9
449.18036	1.1
467.19226	36.9
468.19528	1.5
618.46698	1.8
619.20367	100.0
620.21112	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	619.2566
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
66.46342	1.4
69.93536	3.7
70.67786	1.3
84.15776	1.2
98.22520	1.7
128.66048	1.6
187.96156	1.3
272.09818	1.3
401.13889	3.2
415.15707	4.4
416.16461	17.1
417.16809	1.7
429.17023	1.7
430.18005	3.6
444.15945	2.4
458.17261	1.9
459.18323	100.0
460.18826	6.1
473.19794	13.8
474.20422	5.1
485.16235	2.0
501.19519	1.6
503.17197	2.4
517.18665	2.2
518.19586	45.5
519.19946	3.7
532.21460	10.5
533.21991	96.0
534.22156	5.4
587.23401	7.0
604.02954	1.6
619.25659	78.0
620.26556	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	619.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.6
61.98822	3.5
69.08723	17.9
70.77335	2.4
82.03011	2.6
88.18761	3.0
96.25514	2.2
112.04067	2.6
120.04549	4.7
130.02766	2.5
135.06932	4.1
136.65282	2.3
138.09235	5.8
147.03262	3.6
148.04100	20.8
149.04803	11.9
150.05659	22.9
150.09247	23.7
160.04010	2.7
161.04817	6.8
161.07217	3.5
164.03522	9.5
165.50110	2.7
173.03575	7.0
174.04382	20.2
175.05060	6.0
175.06436	4.9
187.06366	3.1
187.08774	7.2
189.06711	7.8
189.10342	2.4
190.07507	29.3
191.06044	2.5
191.08058	3.8
199.08862	2.8
200.07224	6.3
201.07970	7.0
201.09978	2.8
202.07387	3.4
213.06746	3.4
213.10316	8.7
214.11086	10.9
215.08310	6.9
215.11871	24.5
217.07449	2.8
230.10541	2.7
231.07736	11.6
232.08521	44.1
233.09181	7.6
241.09848	67.5
242.08141	3.4
242.10423	8.2
243.07672	4.0
244.08682	9.9
245.06956	2.7
245.09299	7.4
259.10828	10.1
267.07718	3.8
268.08527	5.8
285.08795	15.0
286.09607	12.1
288.67380	2.3
299.14032	9.3
303.09872	42.3
304.10538	5.5
305.10220	2.7
324.13666	5.2
330.47876	2.8
331.18262	3.5
339.12137	6.8
353.15173	3.6
375.17206	8.9
382.17700	25.3
384.18176	3.2
385.56210	2.4
393.18216	9.4
394.17908	7.1
397.16293	3.7
412.18817	5.4
418.17615	6.3
436.18829	32.0
437.17484	8.9
451.17551	4.7
454.19897	100.0
455.20142	10.5
456.20361	7.3
468.17737	30.8
469.18436	14.3
537.77533	2.4
547.25653	9.1
577.26892	3.7
601.26581	10.1
619.27716	75.0
620.27618	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18798	1.3
59.01387	1.6
61.98831	4.0
80.38870	1.7
84.49550	1.4
109.29990	1.5
136.07700	4.9
138.09267	28.5
149.02510	1.7
150.03246	9.0
164.07172	5.9
165.05579	8.2
173.10840	8.7
177.05592	1.4
185.10922	4.3
195.06631	7.8
197.10844	11.0
198.11372	2.1
199.06995	2.3
199.08740	15.0
213.13992	23.3
225.10281	2.4
237.14001	2.2
238.11021	1.9
239.11909	86.3
240.12291	2.9
308.17725	13.3
318.12503	3.1
332.14026	2.4
333.14850	7.4
336.20950	8.0
347.16217	2.7
357.13461	2.3
360.17285	2.5
362.18771	100.0
363.18936	4.3
369.13531	4.2
380.19778	37.0
392.19543	7.3
406.17670	17.1
410.20792	9.2
424.18768	25.9
425.19260	1.8
454.19675	3.6
535.19617	8.8
545.27740	48.5
546.28033	3.0
575.28809	10.0
583.21967	2.3
589.26703	52.3
590.27301	4.3
619.27679	19.4
620.27875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71581	1.2
59.01392	1.7
61.98843	2.7
62.02283	1.1
69.34063	7.2
70.94375	1.6
71.19256	1.2
74.77169	1.3
76.30688	1.2
82.02994	2.3
87.00938	1.3
94.02974	1.4
103.12033	1.2
116.48675	1.2
120.04538	1.3
125.02507	1.6
135.06917	4.3
136.07669	2.6
136.51532	1.2
138.09299	7.0
148.04039	9.1
149.04805	5.3
150.05649	7.9
150.09265	27.5
159.88368	1.4
160.03993	1.5
161.04871	2.8
161.07227	3.5
163.02745	2.7
163.06396	2.0
164.03534	3.4
164.07190	2.9
173.03564	3.2
173.07193	2.8
174.04364	11.0
174.05669	2.5
175.05103	3.0
175.06462	3.0
176.10797	2.3
187.06334	1.5
187.08813	8.8
189.06673	5.7
189.10359	4.4
190.07466	14.5
191.08101	1.5
199.08791	3.9
200.07167	2.4
200.09552	2.5
201.07959	2.9
201.10342	1.7
202.07425	2.3
213.06787	6.2
213.10329	7.5
214.11171	10.2
215.08478	7.2
215.11897	39.1
223.08807	2.7
226.07368	1.7
226.91475	1.6
227.08136	1.9
230.10588	2.5
231.07768	5.1
232.08525	19.0
233.09184	3.9
239.08315	4.6
240.09068	1.5
241.09840	100.0
242.08218	2.4
242.10428	7.6
243.11269	1.9
244.08614	5.9
245.09258	2.6
259.10873	17.1
267.07861	3.3
268.08542	6.4
285.08847	19.4
286.07022	1.4
286.09692	14.8
289.09488	2.2
299.14096	4.2
303.09909	46.7
303.15250	2.9
303.18716	1.8
304.10480	3.8
314.12430	1.3
324.13669	2.8
331.18063	2.5
374.18774	1.6
375.17172	15.4
382.17764	9.7
392.19952	1.8
393.18225	13.6
394.17722	4.8
398.16855	1.6
410.20587	1.6
412.18997	2.0
418.17902	4.9
424.18893	1.3
436.18869	30.5
437.17328	7.0
451.17615	2.7
454.19873	89.7
455.20132	8.4
456.20358	3.6
468.17761	39.0
469.18774	6.5
480.18069	1.7
547.25714	3.7
601.26569	10.1
619.27838	95.6
620.28375	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	619.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23811	1.8
59.01379	16.1
61.98842	4.1
66.04704	1.8
71.01379	10.2
72.70716	1.6
83.05016	2.9
85.02967	2.2
88.39086	2.0
89.02438	9.3
99.04525	2.3
101.02429	7.5
113.02441	4.1
119.03520	2.5
122.09801	1.9
125.02451	3.8
125.09705	5.5
127.11289	2.8
135.06929	3.6
136.07613	1.7
138.09213	3.5
141.25726	1.7
149.04767	2.6
149.06053	1.8
150.05571	2.5
150.09254	24.8
158.09377	1.9
161.04610	2.1
166.05083	2.0
169.01477	3.0
169.12308	2.8
171.10278	72.6
172.10605	31.8
173.07199	2.3
173.10799	10.5
174.04320	2.2
175.04927	1.7
176.10721	3.8
187.08723	6.5
189.10269	2.8
190.07446	1.9
199.08711	3.9
200.09479	2.9
209.11841	57.5
210.12201	39.2
211.12408	15.9
213.06683	3.7
213.10315	6.8
214.11125	7.9
215.08270	7.2
215.11891	34.7
223.08781	2.7
227.12880	5.5
228.13130	4.3
229.13388	1.9
231.07677	3.1
232.08441	2.8
233.09262	2.4
235.08127	2.2
239.08244	2.9
241.09831	100.0
242.10349	7.8
253.09279	5.8
259.08664	2.0
259.10892	15.9
267.07761	3.3
268.08575	4.8
275.37427	1.6
285.08893	16.2
286.09610	13.3
303.06528	3.3
303.09869	45.3
331.17920	5.0
375.17130	12.6
393.18082	9.5
401.23157	2.0
418.17883	3.9
436.18777	22.2
437.17725	2.8
439.24719	3.1
454.19812	52.8
455.19986	6.5
456.20273	7.7
468.17804	35.2
469.18109	2.7
531.27649	2.8
601.26617	6.2
619.27759	64.6
620.27802	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55260	1.2
52.00235	1.2
71.01413	1.3
88.40057	1.2
90.46397	1.4
96.75060	1.4
135.06905	4.1
136.07718	2.2
138.09241	3.6
144.68246	1.3
150.09254	20.6
161.07195	2.1
163.06367	1.8
164.07208	2.4
173.07321	1.4
176.10953	2.1
187.08757	7.4
189.10442	2.3
199.08839	4.3
200.09529	4.3
213.06700	3.5
213.10316	8.6
214.11122	7.2
215.08339	8.0
215.11891	33.6
215.13997	2.5
223.08778	2.4
230.10643	2.3
231.07651	1.8
239.08231	4.4
240.08940	2.0
241.09831	100.0
242.10522	5.4
257.09262	1.5
259.10843	13.2
267.07718	1.5
268.08615	4.1
274.28894	1.4
285.08786	16.2
286.09692	12.5
303.09879	46.6
303.15244	3.4
304.10553	2.1
331.18112	4.0
346.19363	1.9
357.00668	1.4
375.17303	11.3
392.19638	2.0
393.18311	9.3
418.17825	4.6
436.18860	20.3
437.18210	3.1
451.17383	2.5
454.19873	54.9
454.26309	2.7
455.19928	2.5
467.18771	2.2
468.17773	34.7
469.18335	1.5
477.57059	1.6
496.90570	1.5
601.26770	6.5
619.27905	51.5
619.38086	2.5
620.28583	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	620.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
61.98835	100.0
70.64990	1.8
71.01383	2.6
75.00888	4.5
93.71479	1.5
150.21002	1.8
154.10046	1.9
179.10649	1.7
180.71741	1.4
197.11790	4.8
209.11830	7.5
226.73602	1.9
276.62164	1.9
338.81427	1.9
425.42416	2.2
452.94885	1.9
525.27008	17.2
557.29346	2.6
642.48340	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	620.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93092	0.3
59.01384	0.6
60.27831	0.3
61.98834	100.0
65.73077	0.2
68.81111	0.3
69.08310	1.7
71.01389	0.4
93.77496	0.3
98.22618	0.7
158.29248	0.3
205.93158	0.3
225.11372	0.3
229.16174	0.3
279.14099	0.3
382.30911	0.3
401.04358	0.3
621.32465	0.4
621.78717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02542	26.9
69.24961	100.0
69.25365	53.1
74.35913	28.6
97.81941	26.9
117.43660	26.9
131.13974	28.5
144.16422	31.0
209.11813	91.6
278.63251	32.3
293.21207	65.7
314.02585	30.8
431.25269	26.3
554.62579	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76417	35.3
58.30304	29.0
82.12985	35.5
84.02581	29.7
84.56116	30.2
85.60049	29.2
109.50265	34.5
115.00200	33.8
130.10382	40.4
134.67181	33.7
160.48132	31.4
209.11819	100.0
293.21326	78.4
551.29578	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02504	11.1
70.98868	14.8
89.13712	11.1
105.08394	10.9
140.68674	11.4
140.84003	12.1
209.11867	100.0
241.52071	13.5
257.84561	11.4
288.16806	12.2
293.21249	50.0
620.21625	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	621.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22599	1.5
62.02122	1.8
62.48965	1.7
65.84573	1.7
71.01367	2.7
74.12234	1.9
77.96698	1.6
96.69541	1.8
99.00883	15.8
101.02467	3.3
115.00392	6.0
117.01945	7.2
133.01430	13.6
133.02942	2.1
135.04538	8.1
145.01442	61.7
163.02504	100.0
164.02808	1.8
169.01620	1.8
179.03510	5.5
206.87379	1.9
214.83051	1.9
218.79875	1.7
325.05585	3.3
425.01233	3.1
455.89746	2.0
458.59299	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86147	1.4
57.85276	1.5
59.01385	63.0
69.46635	7.6
69.46927	1.6
71.01426	1.9
71.05022	4.5
96.96021	7.2
98.21882	3.5
99.04525	11.7
99.08173	2.8
101.02438	2.5
101.16734	1.4
103.00394	6.3
109.77852	1.4
115.04019	3.1
117.05583	7.7
123.00883	5.9
124.01691	3.4
125.02476	6.1
125.39672	2.1
135.04575	2.5
143.07126	2.7
145.01477	2.1
151.00443	2.9
155.82613	1.7
161.08206	100.0
169.01422	6.0
179.03455	2.3
194.05821	1.9
203.09258	17.5
209.08186	3.2
298.98166	2.7
299.99152	7.7
300.99847	11.2
318.55356	1.8
373.11444	21.8
425.01605	8.9
598.05786	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	621.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06594	9.8
58.46980	11.2
59.01377	44.7
61.98826	38.3
64.03409	9.7
64.15027	10.6
65.31937	9.2
71.01383	16.2
71.37299	9.9
76.61778	10.3
89.02422	20.3
99.45523	11.3
101.02450	16.2
108.26918	12.2
113.02448	14.5
130.36505	10.8
150.03218	76.5
151.00473	13.3
164.74236	12.2
165.05589	74.3
195.06651	100.0
213.67299	10.7
223.13371	36.8
359.15189	27.7
397.13528	32.6
486.76575	13.1
621.24994	17.0
621.33698	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	621.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12671	0.6
52.97114	0.6
54.20575	0.7
56.81505	0.6
59.01373	2.2
63.67277	0.8
69.06284	3.8
69.06703	1.5
71.01368	0.9
89.02420	0.7
96.96027	5.1
98.21889	1.5
98.95606	3.3
109.02977	2.0
116.92870	1.6
123.00896	2.4
123.04488	0.6
125.02435	0.8
137.02457	9.0
149.02431	0.9
151.00392	18.2
151.03989	1.1
152.01186	1.2
152.04807	2.8
166.02731	55.7
167.03384	2.4
169.01315	0.9
176.45398	0.6
177.01942	2.9
180.04166	0.7
181.05083	68.0
182.05458	1.2
190.06462	1.2
192.04291	1.1
359.11450	2.5
387.10931	14.4
388.11475	0.8
402.13232	7.0
417.15594	100.0
418.15988	5.2
492.04874	0.8
531.99951	0.8
591.63098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55022	0.8
57.03459	1.3
59.01387	9.4
61.98833	1.4
68.02544	0.9
69.26910	4.0
71.01392	4.3
73.02966	2.8
83.01429	1.0
85.02960	1.5
88.98824	2.9
89.02464	3.1
96.96023	2.0
101.02448	3.7
113.02469	2.4
125.02444	1.9
125.09749	2.5
126.99599	1.8
130.85307	0.8
135.04553	1.5
137.09755	1.3
139.04091	0.9
155.10780	2.6
161.04547	1.6
169.01462	1.9
171.10306	3.4
185.11853	2.1
215.12967	2.1
229.14438	1.0
300.99823	1.1
337.23914	1.2
343.24817	1.2
355.24841	3.7
371.24445	2.3
373.25974	100.0
374.26349	5.2
415.27100	2.2
577.32562	4.0
621.33044	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	621.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	2.1
57.03448	4.8
59.01385	58.1
61.98829	5.9
69.03468	5.1
69.33285	5.0
69.33687	3.2
70.10479	1.7
71.01389	32.5
71.05022	1.9
72.93563	1.6
73.02950	7.3
83.01416	3.1
83.05059	2.3
85.02969	9.7
87.00887	5.8
88.98832	3.6
89.02453	32.8
95.01379	1.9
96.96028	8.4
97.02962	3.4
99.00891	2.5
101.02449	24.5
111.04584	1.6
113.02468	13.0
119.03478	11.0
123.00929	2.8
123.08117	1.8
125.02499	12.0
125.09723	3.2
134.03825	2.0
137.09782	2.1
141.02013	2.0
143.03528	3.9
153.01955	1.6
155.10777	2.6
157.89131	1.5
161.04572	7.0
167.10780	3.8
169.01445	3.9
171.10301	6.2
175.04022	3.0
179.05653	5.6
179.14423	3.3
195.06784	1.6
195.13904	11.7
205.12334	9.5
212.64236	1.6
221.06755	2.7
223.13417	100.0
224.13693	4.8
235.08163	8.1
253.09412	3.4
323.09732	1.7
328.92590	1.6
345.68369	1.6
350.61188	1.6
355.24918	3.8
362.11383	1.7
371.24765	2.7
373.25986	96.1
374.26315	6.1
375.27557	2.8
397.13528	58.2
398.13962	3.7
408.01163	1.7
415.14587	31.2
415.26868	3.3
416.15250	1.7
464.86099	1.8
502.26431	1.6
537.21722	1.8
577.32861	6.4
621.18951	2.2
621.27899	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	621.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49817	1.1
59.01386	100.0
69.12122	2.5
69.12543	5.4
85.02951	1.5
94.57770	1.1
96.99254	1.4
97.02932	2.6
107.89751	0.9
109.45757	1.0
115.02508	2.7
116.86053	1.2
125.00959	1.2
125.02422	1.4
128.12639	1.1
141.01720	64.9
142.05087	5.0
155.01994	3.0
157.03590	1.8
167.02026	1.9
169.01416	1.9
181.03566	1.8
183.05084	4.5
196.44231	1.4
197.06700	1.2
199.08247	3.0
210.91800	1.2
241.09360	7.6
247.39786	1.2
264.28085	1.0
264.88528	1.0
291.77158	1.2
327.14459	1.3
355.48669	1.3
357.68561	1.3
381.15036	1.8
465.24927	1.8
483.25864	6.6
501.41327	1.1
507.25580	1.1
515.04651	1.1
527.24573	1.6
543.28394	5.3
561.29230	94.9
562.29626	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	622.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88341	0.5
53.74383	0.6
59.01374	0.9
59.25531	0.5
61.98836	100.0
71.01382	0.5
96.95439	0.5
96.95989	2.4
97.40410	0.5
98.21876	1.0
109.06576	0.5
573.03015	0.5
622.33325	2.1
623.29761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77429	15.4
58.80150	15.7
64.89244	17.9
68.94650	16.4
82.06276	14.7
85.83405	15.3
98.21779	29.8
133.46049	16.3
174.07104	18.3
180.97067	16.5
190.61398	16.7
209.11818	100.0
274.42337	18.3
295.22711	67.5
351.28775	16.6
354.08609	22.6
367.95523	17.2
371.34213	16.9
645.84619	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	623.162
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
51.12540	0.9
51.54712	1.0
86.50152	1.0
106.50221	1.1
119.05054	1.3
121.02969	1.1
125.02473	2.4
133.02965	3.7
134.03745	2.7
134.42467	0.9
142.23024	1.0
147.04572	1.2
149.02403	1.5
151.89815	0.9
161.02470	1.3
169.01404	1.9
175.04057	1.6
177.01909	2.6
191.03444	2.1
203.03577	2.1
246.71344	1.2
246.73964	1.1
280.73038	1.1
283.06094	3.0
284.06876	1.3
289.35925	1.2
297.04028	1.7
298.04794	4.5
299.05493	2.8
301.00012	1.4
303.95169	1.0
310.04916	1.4
311.05615	19.4
312.06421	57.9
313.07019	3.8
323.05673	3.7
324.06509	1.3
326.07892	1.7
327.05161	2.4
327.08878	1.3
338.04282	1.3
339.04984	5.9
340.05988	1.3
341.06573	3.1
344.05606	1.2
351.04932	1.9
353.06580	2.5
354.07425	1.6
355.08258	4.0
368.05426	2.1
383.07745	41.3
384.08200	1.9
395.07645	3.7
413.08835	24.7
425.08740	1.6
443.09888	1.3
455.09644	1.4
503.12079	20.8
504.11981	1.3
533.13281	2.4
551.82709	1.3
623.16235	100.0
624.16614	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	623.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33108	4.3
59.01385	100.0
71.01395	42.7
73.02957	37.3
82.95418	10.2
83.01414	7.3
85.02971	16.6
87.00839	4.6
89.02455	25.4
89.06461	4.8
92.55073	4.4
101.02444	46.6
113.02484	28.4
119.03466	9.6
123.00841	6.1
124.04141	5.0
125.02467	22.7
131.03525	12.3
135.04549	5.5
140.12740	5.1
149.04581	12.1
161.04539	12.0
166.02687	5.3
169.01448	37.9
179.05608	7.0
181.05086	8.2
249.03603	4.6
283.09845	15.8
295.10089	5.9
299.16595	12.4
311.09225	40.2
317.17630	6.9
326.11581	27.1
341.13797	47.1
418.15796	6.5
419.16064	11.6
429.70184	5.0
464.62149	5.5
505.62973	5.7
519.32178	7.6
623.16534	11.0
623.34430	38.8
629.72998	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	623.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26560	5.1
59.01385	100.0
66.91401	5.5
71.01379	37.2
71.43080	5.5
73.02966	7.2
77.66984	6.2
82.95438	7.4
84.95108	29.8
85.02956	25.2
85.62244	5.3
87.00880	8.5
88.62640	5.2
89.02486	14.7
96.96018	35.5
97.24660	6.2
101.02450	19.2
109.06613	6.8
111.00858	7.8
113.00645	5.7
113.02449	20.6
119.03497	9.5
119.47929	5.8
123.00890	7.1
125.02448	18.4
126.94180	5.2
143.03458	8.4
169.01407	19.3
207.10216	11.0
225.11377	24.3
246.06668	5.7
275.02036	10.4
278.09467	6.3
282.50546	6.3
298.10168	6.1
300.99835	9.7
519.27905	40.0
537.28973	17.0
623.12170	6.2
623.25214	14.7
623.34180	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	623.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31353	0.4
57.03445	1.5
58.00587	0.5
59.01381	6.3
61.98834	1.2
69.03455	0.5
71.01381	2.8
73.02957	1.9
76.53966	0.4
79.49124	0.4
80.26073	0.4
81.97753	0.4
83.01387	0.6
85.02973	1.1
87.04523	0.6
88.98788	0.7
89.02447	2.4
96.95985	0.5
96.99880	0.4
97.06565	0.5
99.00916	0.4
101.02460	2.7
113.02442	1.6
115.75745	0.5
119.03529	1.1
119.86935	0.5
125.02489	0.8
125.09726	0.9
127.11291	0.5
131.57878	0.4
135.04529	0.8
137.09756	0.5
143.10776	0.5
147.87852	0.4
155.10767	1.0
157.12369	0.5
161.04573	1.3
169.01414	1.3
171.10258	1.5
177.01556	0.4
179.05592	0.6
185.11873	1.0
201.11403	0.4
215.12871	0.6
231.11420	1.0
251.20174	0.7
267.10959	1.1
300.99936	0.6
329.23407	1.5
357.26462	6.3
373.25943	3.5
374.26303	1.2
375.27527	100.0
376.27823	3.3
389.28967	1.4
417.28632	1.5
461.29239	1.0
537.20996	0.5
605.33179	0.5
623.34656	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	623.3442
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01889	1.3
57.03455	1.7
58.00597	1.5
59.01384	100.0
59.16708	0.3
60.01725	0.7
64.41659	0.3
71.01387	50.8
71.05031	1.0
71.43377	0.3
72.99314	1.5
73.02941	2.5
75.00888	0.4
81.53846	0.3
83.01386	2.4
83.05036	5.9
85.02956	9.8
87.00891	3.0
89.02451	63.5
90.02795	0.4
95.01402	3.6
97.03014	0.4
99.00922	0.7
101.02450	30.6
108.38953	0.3
113.02464	20.3
114.81322	0.3
115.07619	0.7
119.03512	31.4
120.03867	0.3
123.08208	0.5
125.02457	2.1
131.03532	2.9
141.09267	0.4
143.03517	6.4
143.10837	0.3
149.04572	3.2
151.00394	0.5
159.10294	7.5
161.04572	6.5
169.01454	1.1
178.99962	0.6
179.05627	17.6
231.32063	0.3
249.12875	0.7
261.00500	0.5
265.16058	0.6
283.17023	1.5
301.18076	5.3
302.18649	0.6
443.28098	2.8
444.27914	0.4
461.29138	12.7
462.29642	0.9
463.23380	1.7
587.32227	0.6
623.34406	43.4
624.34686	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	624.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03446	0.8
59.01386	8.6
61.98829	3.0
67.01891	1.6
68.02544	31.0
69.03458	1.0
71.01392	8.1
73.02935	2.1
78.01141	0.5
79.01893	1.7
82.00606	0.8
83.01388	1.9
83.29583	0.5
85.02956	2.6
87.76556	0.5
89.02456	3.4
95.01406	4.9
97.02985	1.4
101.02450	4.9
107.01414	8.5
107.05032	0.6
109.02976	0.6
111.00878	3.0
113.02470	2.9
119.03529	1.4
122.99991	1.2
123.00897	23.5
124.01685	12.2
125.02464	30.2
126.02801	0.8
126.99583	36.4
127.99858	0.8
134.92329	0.5
135.04543	1.1
136.98781	1.6
137.02406	1.0
139.00388	6.2
140.01157	3.8
141.01958	5.0
147.04446	0.5
151.00391	16.1
151.99066	1.6
153.01968	1.0
161.04561	1.5
163.04010	1.0
166.99947	2.8
167.03563	0.5
168.00648	6.8
169.01439	36.8
179.03508	0.7
181.01593	0.9
193.01498	0.7
195.02863	0.6
208.02861	0.9
211.02499	5.2
211.85788	0.5
271.04599	2.7
313.05783	3.2
322.29669	0.6
415.12494	14.6
416.12430	0.7
427.12338	3.9
472.44962	0.5
496.15790	34.3
497.16257	1.4
555.12830	6.9
580.34418	0.8
623.34644	2.5
624.16046	100.0
625.16248	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	624.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32969	1.6
61.75701	2.0
61.98831	4.6
71.41063	2.5
82.06631	2.7
128.37932	2.1
129.10362	17.8
133.32344	1.9
139.08702	2.7
140.07225	3.3
146.35413	1.7
148.63385	1.8
160.70366	2.2
180.17303	1.8
197.16565	4.5
207.15047	8.1
209.11772	1.8
223.11894	2.3
224.17671	7.8
225.16074	6.0
242.18735	5.3
266.24841	2.1
290.85745	1.9
337.26157	26.5
338.26474	2.4
355.27075	13.6
564.41406	100.0
565.41290	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	625.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72758	0.7
57.03452	1.5
59.01377	2.9
61.98833	2.8
63.02400	3.7
65.00325	2.6
69.06454	1.1
69.06845	3.3
71.01393	2.1
72.00216	0.6
75.98061	0.5
77.97666	0.7
81.03466	2.0
83.01390	3.7
85.02974	1.4
87.72176	0.6
89.02454	1.1
93.03458	0.7
95.01395	1.1
107.01414	5.4
107.05025	1.5
109.02945	3.3
111.00827	0.6
116.92873	1.3
119.03499	0.9
122.03777	0.7
123.00914	0.9
123.04547	5.8
125.02464	7.4
133.03012	1.9
134.03697	0.6
135.04482	0.7
137.02483	1.3
145.02977	2.3
145.73842	0.6
146.03752	5.0
147.04564	1.0
148.01659	0.9
149.66031	0.7
151.00386	13.5
151.04021	1.4
152.01108	1.1
153.01955	6.1
154.84467	0.6
159.04498	1.4
161.02419	1.6
162.03233	3.2
165.01926	0.8
165.05664	0.6
167.03517	10.5
169.01445	3.1
173.02502	1.3
174.03230	0.8
175.04086	1.3
176.01225	1.1
177.01952	1.9
178.99873	22.8
181.01448	10.1
189.02003	1.5
190.02744	12.5
190.85869	0.6
191.03584	1.2
193.01476	3.5
195.03009	13.0
201.02017	0.8
217.01543	1.0
233.04543	1.0
235.02486	7.4
245.00916	2.5
246.01706	0.9
247.06091	1.1
249.04074	100.0
250.04442	2.5
259.02396	0.8
261.04053	1.7
277.03555	1.2
287.02087	3.5
297.04065	0.8
303.01413	1.1
304.02362	0.9
305.03159	3.2
309.04065	0.8
354.03723	1.3
411.03574	1.7
412.04559	0.8
413.05139	2.5
425.05463	0.8
427.07013	0.8
429.04630	6.4
445.29089	0.8
463.30698	1.4
473.20358	1.0
499.05255	4.8
625.21008	1.0
625.36401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.4
67.45329	0.2
69.63869	0.9
79.95750	2.8
95.01401	0.4
96.96023	100.0
97.95972	0.3
107.01424	0.5
114.32230	0.2
121.02937	0.3
123.00904	0.9
124.01643	0.3
125.02461	1.8
126.90549	0.3
149.02423	0.4
150.03226	0.5
153.01996	0.3
165.05611	0.4
169.01440	3.3
191.03583	0.3
192.92107	0.2
201.01880	0.2
202.45641	0.2
206.99886	0.3
217.01555	0.3
220.44354	0.2
231.02863	0.3
247.02509	0.3
248.03206	0.3
249.04001	0.6
265.97580	0.3
266.98196	0.5
270.98792	0.3
275.02072	1.3
276.02264	0.3
278.98334	0.5
283.99973	0.3
285.00696	0.3
299.99161	0.8
301.00076	1.5
308.99210	0.4
313.05728	0.8
343.00888	0.3
357.99884	0.3
458.02725	0.3
458.53299	0.6
479.12427	0.6
502.04550	0.3
517.06763	4.7
518.06921	0.3
527.14142	2.8
577.08685	0.4
625.11145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
62.34888	0.7
63.02396	1.5
65.00325	2.7
71.42426	0.8
74.75148	0.8
83.01396	1.9
96.96028	1.0
100.30728	0.8
107.01396	4.0
109.02953	3.4
113.02499	1.0
121.02930	1.1
123.00901	1.4
123.04479	1.0
124.01689	4.0
125.02489	5.6
137.02460	3.4
148.01688	1.3
151.00385	13.2
152.01128	1.5
153.01956	1.8
155.11914	0.8
158.03612	1.0
161.02425	1.2
163.00429	2.6
164.01189	3.3
169.01454	3.6
177.01999	1.3
178.20555	0.8
178.99886	19.8
179.03510	1.0
189.05556	1.4
193.01421	1.2
194.30788	0.9
199.04173	1.5
203.03529	2.4
204.04239	1.1
211.03958	1.3
214.02715	8.5
215.03444	1.6
217.01431	0.9
217.05043	1.0
219.02898	1.1
227.03526	1.2
231.02945	1.5
232.03851	1.2
242.02235	7.3
243.03004	5.8
249.03906	1.1
255.03001	3.1
256.03781	2.1
257.04578	27.7
258.04932	0.9
259.02490	8.7
270.01733	7.6
271.02499	49.4
272.02957	1.1
275.01999	0.9
287.02014	29.1
287.05164	1.6
288.02725	1.7
300.02679	4.6
300.99796	2.5
315.01520	1.1
316.02267	100.0
317.02902	14.6
409.05789	2.0
419.09900	3.4
463.03076	1.0
463.08911	2.8
481.04480	1.6
625.14209	83.3
626.14655	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.0
65.00329	1.6
70.93921	1.5
71.01402	1.2
80.55180	1.1
82.00550	1.2
86.64564	1.0
89.02437	1.2
95.01378	2.8
101.02448	1.7
109.02940	1.5
110.00105	10.1
111.00911	5.0
123.00851	2.3
125.02413	6.2
136.98775	1.4
137.99603	3.0
139.00404	13.0
151.00401	2.5
152.01192	1.1
153.01942	3.5
159.04449	1.1
165.99104	11.9
166.99841	6.3
168.28954	1.2
169.01468	6.2
174.03258	1.4
178.99866	10.1
181.01439	5.0
182.01907	1.2
183.02994	1.4
191.03583	1.2
193.01570	1.2
194.99388	2.6
195.88721	1.1
198.03172	2.4
199.03984	2.6
201.02002	1.7
206.99265	1.6
209.11864	5.0
209.22913	1.2
214.02791	1.4
215.03464	2.6
226.02699	1.9
227.03569	3.7
227.12796	1.8
232.03816	1.4
242.02103	3.1
243.03088	5.7
244.03702	1.0
247.02586	1.3
249.04033	3.5
259.02518	2.3
270.01813	6.3
271.02499	26.9
275.02017	4.7
287.02017	25.6
288.02719	3.4
299.01929	2.8
300.99902	2.9
302.08743	1.3
316.02261	49.9
317.03012	23.4
331.06149	1.1
338.61636	1.2
359.04285	1.3
397.13559	1.8
523.50031	1.4
549.57819	1.1
562.44440	1.1
625.14172	100.0
626.14484	4.9
647.78998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.11145	5.3
70.27116	8.4
70.27433	6.7
71.01400	42.3
72.98418	4.3
83.01400	6.0
85.02957	14.4
87.00874	7.9
89.02451	44.4
98.69612	5.5
101.02444	22.1
101.37489	4.7
107.01384	8.4
113.02431	17.1
115.29188	4.9
119.03499	12.9
123.00884	9.4
124.01601	8.6
125.02462	34.1
129.82416	5.3
130.57826	5.6
133.02995	5.7
135.04524	11.4
137.02496	4.8
149.02472	19.6
150.03255	24.5
151.00429	6.3
161.04503	8.0
164.04782	5.5
165.05547	25.0
169.01466	36.8
195.06627	7.4
208.44780	5.5
209.11859	63.2
227.12923	20.0
301.00009	9.4
329.13980	9.6
381.80707	6.1
397.13525	22.4
409.22424	9.7
415.14554	11.6
421.18567	31.1
473.18274	38.4
491.19431	16.0
533.20074	20.7
562.27142	6.3
577.62213	5.5
581.22321	11.6
625.17847	64.4
625.35846	23.7
644.33704	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	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29698	1.4
59.01385	33.2
62.68353	1.0
68.26125	1.1
69.03456	1.5
69.13492	7.4
71.01383	17.7
73.02956	2.1
75.24499	1.3
80.02655	1.2
81.03456	2.2
81.64915	1.1
83.01387	1.7
83.05050	7.9
84.02200	1.6
84.95133	1.4
85.02953	5.1
87.00849	4.1
89.02451	20.0
95.01364	1.4
97.02948	3.8
101.02444	13.9
105.11875	1.1
113.02488	6.9
119.03515	6.8
125.02481	9.1
135.04535	2.8
143.03505	3.0
149.02464	1.9
150.03204	3.9
159.10365	1.1
161.04579	3.6
163.11246	4.4
165.05586	4.1
165.12883	1.7
169.01459	6.7
175.60786	1.1
179.03455	1.4
179.05615	5.1
195.06578	2.4
209.11844	100.0
210.12202	1.7
227.12898	19.6
235.08269	4.3
299.99173	8.8
300.99890	21.9
302.00241	1.7
305.08789	1.5
329.78174	1.2
397.08658	2.3
397.13544	33.0
415.14627	18.9
463.05286	6.4
473.17511	1.5
625.08252	9.4
625.17780	2.9
625.35602	5.5
645.71881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50056	0.6
54.68459	0.7
59.01387	26.6
69.03445	0.8
69.09807	3.6
71.01392	13.9
73.02932	2.4
80.02663	1.1
81.03452	2.5
83.01385	1.8
83.05030	5.9
84.02167	1.1
85.02934	3.2
87.00874	3.4
89.02450	15.7
95.01378	1.1
95.05070	1.0
97.02964	2.4
101.02457	11.2
113.02446	5.6
119.03530	5.0
125.02470	6.2
135.08226	0.9
143.03535	1.7
161.02362	0.7
161.04555	2.5
163.11327	5.0
165.12914	3.5
169.01466	1.4
171.03230	0.6
179.05627	3.1
181.36351	0.8
191.10776	1.0
209.11844	100.0
210.12170	3.1
219.96313	0.6
221.06767	0.8
227.12909	18.0
228.13391	0.7
235.08194	4.7
253.09186	1.2
258.23898	0.7
300.99905	15.3
302.00217	1.2
305.08768	1.0
323.09952	1.2
397.13516	30.9
415.14621	16.8
433.88708	0.7
625.18011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92421	0.9
55.01865	1.2
57.03447	2.1
59.01385	64.7
61.98835	2.3
69.03454	2.7
71.01390	39.9
72.99331	2.0
73.02946	4.7
81.03468	1.1
82.95415	1.6
83.01395	4.5
83.05032	1.5
85.02966	8.5
87.00883	4.8
88.98790	1.3
89.02457	35.9
90.04276	1.0
95.01382	2.4
96.95991	1.1
97.02987	2.3
99.00882	2.4
101.02452	24.6
109.02949	1.0
113.02466	13.3
119.03516	12.8
123.04475	1.0
125.02476	5.3
131.03529	2.3
133.02852	1.3
135.04549	2.8
143.03519	2.9
149.04601	1.2
150.03261	4.6
161.02393	1.5
161.04547	5.7
165.05602	3.3
165.12892	10.6
169.01414	4.1
179.03577	1.7
179.05612	7.4
181.05081	1.5
182.61559	1.5
183.13910	73.9
187.11383	1.1
195.06549	1.2
227.12907	13.2
245.15421	1.2
245.24489	1.0
283.17261	1.1
300.99854	1.1
301.18106	4.0
319.18994	1.4
331.75592	1.1
361.18829	1.2
375.27478	2.0
397.13461	7.9
415.14801	3.0
457.97122	1.1
463.30515	4.4
471.23672	1.3
517.13855	1.1
607.25891	1.2
607.35229	3.2
621.04004	1.2
625.27063	100.0
625.36169	30.6
626.27167	3.5
626.36511	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	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29698	1.4
59.01385	33.2
62.68353	1.0
68.26125	1.1
69.03456	1.5
69.13492	7.4
71.01383	17.7
73.02956	2.1
75.24499	1.3
80.02655	1.2
81.03456	2.2
81.64915	1.1
83.01387	1.7
83.05050	7.9
84.02200	1.6
84.95133	1.4
85.02953	5.1
87.00849	4.1
89.02451	20.0
95.01364	1.4
97.02948	3.8
101.02444	13.9
105.11875	1.1
113.02488	6.9
119.03515	6.8
125.02481	9.1
135.04535	2.8
143.03505	3.0
149.02464	1.9
150.03204	3.9
159.10365	1.1
161.04579	3.6
163.11246	4.4
165.05586	4.1
165.12883	1.7
169.01459	6.7
175.60786	1.1
179.03455	1.4
179.05615	5.1
195.06578	2.4
209.11844	100.0
210.12202	1.7
227.12898	19.6
235.08269	4.3
299.99173	8.8
300.99890	21.9
302.00241	1.7
305.08789	1.5
329.78174	1.2
397.08658	2.3
397.13544	33.0
415.14627	18.9
463.05286	6.4
473.17511	1.5
625.08252	9.4
625.17780	2.9
625.35602	5.5
645.71881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3598
Annotation	14-epi-Ponasterone A 22-glucoside
Peak:m/z	Relative Intensity
55.01864	1.3
56.72137	0.8
57.03453	6.2
58.22815	0.9
59.01383	100.0
61.98837	8.1
63.02397	1.0
63.46259	0.8
65.00337	1.8
69.46966	2.6
69.47353	2.0
71.01387	50.0
72.99296	1.4
73.02953	2.8
81.03469	1.1
83.01386	4.9
85.02956	9.9
85.06595	2.9
87.00888	2.8
89.02452	63.2
95.01384	5.4
97.06586	3.8
101.02454	34.0
107.01405	2.2
108.93758	1.5
113.01711	1.8
113.02458	22.9
119.03515	30.7
123.00889	0.9
125.02444	7.5
129.09241	3.2
131.03548	4.2
137.02417	1.9
143.03510	5.2
143.10811	2.2
149.04539	2.6
151.00381	10.5
153.01871	1.3
159.04538	1.2
161.04567	10.2
167.03511	2.1
168.00568	0.9
169.01448	3.3
173.11848	8.6
178.99869	17.2
179.05624	19.8
181.01433	1.3
183.13884	2.4
187.13193	1.8
193.01372	1.9
195.02977	4.0
195.06548	1.0
203.03627	1.0
227.14539	1.0
243.03015	1.4
243.13959	1.2
245.15517	2.8
263.16559	2.2
283.17261	1.1
301.18164	2.1
309.87613	0.8
407.20819	8.0
410.99094	1.0
425.21866	19.4
427.28912	1.2
445.29590	5.6
451.23163	3.6
463.23453	1.3
463.30017	1.5
481.24188	1.2
521.20288	1.2
581.09351	1.9
607.35156	2.4
625.08380	7.1
625.27826	2.3
625.35925	64.4
626.36151	2.6
650.10089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3601
Annotation	14-epi-Ponasterone A 22-glucoside
Peak:m/z	Relative Intensity
55.01878	1.7
56.44037	0.2
57.03456	3.5
57.28854	0.2
58.00600	1.0
59.01384	64.1
60.01717	0.3
61.45096	0.3
66.02430	0.2
69.03461	1.0
69.33801	1.4
71.01387	36.2
72.01748	0.3
72.99329	1.3
73.02952	4.4
75.00878	0.5
81.03461	0.4
83.01398	2.5
83.05036	0.4
85.02959	21.7
87.00893	1.5
87.04529	0.3
89.02452	29.0
95.01403	2.8
95.05032	0.5
97.02985	0.2
97.06622	1.2
99.00889	1.4
101.02453	21.4
107.05016	1.4
109.06583	0.6
111.00899	0.8
113.02463	12.9
119.03514	11.8
125.02480	0.5
125.06099	2.6
131.03520	1.1
133.06621	0.5
135.03055	0.5
135.04549	0.8
135.08231	0.2
137.47925	0.2
140.86676	0.2
143.03525	1.5
143.10782	0.9
149.04532	0.6
149.06078	0.9
159.02977	0.9
161.04564	3.4
163.07623	0.7
169.01372	0.2
175.11310	0.3
179.03595	0.7
179.05614	3.0
183.11763	0.4
189.12766	0.3
191.10759	0.4
201.09380	0.3
203.10793	0.3
203.14201	0.3
211.11342	0.3
211.14885	0.3
217.08676	0.3
221.11839	0.5
227.14392	1.5
229.15968	0.5
231.13893	1.1
233.15454	1.0
237.11336	0.5
243.13840	0.4
245.15399	0.8
247.17006	1.6
249.12874	0.6
250.12083	1.0
251.12944	0.3
257.15411	0.5
263.16553	5.9
265.15979	0.6
267.13950	1.4
273.14948	0.9
281.15579	0.5
283.17010	1.7
285.15018	1.8
285.18173	0.4
299.16415	0.4
301.18115	6.6
303.19635	0.6
305.16122	0.6
319.15436	0.3
319.19162	5.8
361.18781	0.8
377.26294	0.3
409.27246	0.5
427.28540	1.8
445.29568	5.5
463.30692	15.7
464.30737	0.7
494.10461	0.3
563.31976	0.4
589.33972	0.6
607.34955	11.9
608.35181	1.0
625.35950	100.0
626.36322	7.6
640.81213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09783	0.2
55.01885	1.1
57.03452	6.6
58.00600	1.3
58.03211	0.2
59.01385	100.0
60.01710	0.3
61.98848	0.3
63.02393	0.3
69.03457	0.3
69.40328	1.0
71.01389	53.9
71.05024	6.0
72.01740	0.2
72.02191	0.5
72.99314	1.7
73.02948	2.8
75.00864	0.3
81.03471	0.3
83.01402	3.1
83.05035	43.4
84.05400	0.3
85.02959	9.8
85.03480	0.5
87.00887	2.9
87.04507	0.3
87.08166	1.0
89.02454	67.8
90.02788	0.4
95.01400	3.7
95.03715	0.2
96.96059	0.4
97.02995	0.2
97.06631	0.4
99.00896	0.5
99.04541	1.7
101.02454	39.2
101.06113	0.7
102.02848	0.2
107.01410	0.7
113.02463	23.2
113.06081	0.3
115.07664	5.5
119.03516	34.3
123.08174	2.1
125.02460	2.4
125.06104	0.2
125.64431	0.2
129.09254	0.5
131.03531	3.8
141.09236	1.5
143.03520	6.0
149.04567	2.8
151.00381	1.9
152.01147	0.2
157.08711	0.9
158.09508	0.4
159.10284	35.8
160.10619	0.6
161.04573	6.2
165.01883	0.2
169.01422	0.7
173.05896	0.2
175.03943	0.2
178.99860	2.7
179.05635	17.1
180.99165	0.2
209.11871	0.5
217.12483	0.3
227.12949	0.5
251.14644	0.2
263.62787	0.3
267.17587	0.3
285.18643	1.8
303.19766	1.4
389.16226	0.2
390.16248	0.3
391.16544	0.4
393.06476	0.2
427.28314	0.3
445.29688	6.8
446.30280	0.4
463.30658	4.4
465.24957	9.7
466.25299	0.4
467.26709	0.5
495.25986	1.2
537.27551	0.3
607.34955	2.0
608.35211	0.2
625.35962	87.2
626.36334	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	627.1572
Annotation	Taxifolin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.78739	1.7
57.03444	2.2
58.99054	1.3
59.01379	6.7
70.81900	3.0
71.01395	3.5
81.03467	4.5
89.02446	3.9
93.03464	1.8
95.05038	2.4
97.02963	2.1
99.04540	3.4
107.01400	1.8
108.02211	5.3
109.02955	31.8
120.02180	2.7
121.02991	8.4
125.02460	30.1
135.00935	4.5
137.02467	23.1
138.03290	4.0
139.04034	1.9
148.01707	3.7
149.02463	35.5
153.81534	1.6
161.02472	5.5
163.00392	5.6
163.03978	2.5
164.01192	10.1
165.01952	41.4
166.02759	12.6
167.03513	26.3
167.04938	2.9
173.02350	2.4
174.03238	3.0
175.04016	14.8
176.01143	9.0
177.01984	4.0
190.99883	14.6
191.03528	3.9
192.00685	12.9
193.01427	68.2
194.01666	2.2
195.04556	2.4
198.03229	2.5
199.04001	13.3
201.01997	5.0
208.08672	2.0
211.03995	2.7
215.03542	3.6
217.05162	12.7
223.04085	9.5
227.03465	2.9
239.03523	1.9
241.05061	23.7
242.96677	1.6
243.02969	8.2
257.04398	2.0
267.03015	100.0
268.03366	3.1
284.03223	13.4
285.04068	86.4
286.04486	3.9
303.05090	16.9
309.04092	8.0
329.08786	21.0
339.07263	11.5
355.06714	62.1
445.68365	1.8
447.03665	3.3
447.09354	45.8
448.09384	2.1
465.10403	60.2
465.16956	3.1
466.10861	2.0
627.15796	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	627.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53374	1.6
57.03438	2.6
59.01376	8.9
65.33583	1.9
67.91691	1.6
68.05833	1.7
71.01377	3.4
73.31239	1.6
77.18177	1.5
79.87436	1.6
81.03462	5.2
81.39695	1.6
83.01384	4.0
89.02454	4.3
91.04159	1.9
95.05043	4.1
96.38191	1.7
97.02972	3.5
99.04539	4.0
108.02180	9.8
109.02961	40.2
121.02984	9.2
122.46094	1.7
123.00910	2.3
123.04500	2.2
125.02458	26.4
135.00914	3.7
137.02451	26.5
138.03253	3.6
145.02817	1.7
149.02448	35.2
152.01173	4.2
161.02518	6.3
163.00383	4.3
164.01241	9.0
165.01944	39.0
165.03249	3.0
166.02731	11.5
167.03539	23.9
172.81110	1.9
175.04028	13.3
176.01169	7.4
177.01952	3.7
179.03513	2.4
179.05583	2.5
190.99919	16.9
191.03487	4.9
192.00650	13.1
193.01434	72.3
195.04549	3.1
198.03256	2.7
199.03995	16.7
201.01982	6.1
211.03964	3.4
212.04723	2.2
213.05579	3.4
215.03583	2.4
217.05099	9.0
223.04005	10.0
235.02510	2.2
239.03676	2.6
240.04248	2.3
241.05070	19.9
243.03000	7.3
255.02962	3.0
267.03006	100.0
268.03503	2.7
283.02722	1.9
284.03354	13.1
285.03958	79.4
286.04416	3.1
303.05130	13.9
309.04004	8.0
315.95297	1.9
329.08759	23.6
339.07413	9.2
354.05762	2.3
355.06738	62.4
361.01822	1.7
406.35526	2.2
418.80542	1.9
446.81125	1.7
447.09357	47.5
465.10422	67.4
503.48755	1.9
517.12268	2.3
552.39880	2.1
576.72504	2.0
627.15759	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	627.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.3
69.03458	3.0
71.01393	5.1
77.99629	1.1
81.03461	11.2
83.01398	10.9
85.02964	2.9
87.00871	2.1
89.02448	2.5
90.85904	1.3
93.03466	2.6
95.01411	6.0
95.05023	7.5
97.02949	9.3
99.04521	6.7
101.02451	2.5
105.03476	1.3
107.01352	1.4
107.05066	2.1
109.02955	9.9
111.04495	3.2
113.02470	2.6
119.05043	2.0
121.02954	5.6
121.06612	1.6
123.00878	3.6
123.04533	27.5
124.01615	1.6
125.02457	30.8
125.06142	1.6
125.25499	1.1
133.02971	19.3
135.04526	4.6
137.02435	7.1
137.06122	2.4
139.04016	4.4
147.04547	3.3
149.02422	2.2
149.06085	1.5
149.13960	1.2
151.04019	7.5
153.05591	2.9
155.03531	1.7
163.04039	4.0
165.01906	6.5
165.05565	4.3
167.03513	43.8
167.04910	2.3
168.04034	1.2
169.01431	2.7
175.04068	1.7
177.01918	10.8
177.05659	1.9
179.03491	12.7
179.05016	1.2
179.05736	1.1
180.04292	2.3
181.04982	2.7
189.05551	1.5
191.03510	3.7
192.00735	1.5
193.01370	2.8
193.05069	2.6
193.10905	1.2
195.06572	3.6
197.04553	12.9
201.01872	1.8
203.03580	1.3
206.02271	2.1
207.02933	2.2
209.04558	100.0
210.04880	2.3
219.02931	1.9
220.03989	1.1
221.04564	3.7
225.61128	1.0
233.04546	1.7
235.02505	4.0
239.05627	63.0
240.06088	1.8
241.05037	1.4
247.02441	2.7
249.04134	1.7
251.05559	6.2
261.03891	1.2
267.02914	1.4
269.06689	26.7
274.01105	1.1
275.02051	2.1
277.03540	20.4
281.06619	2.9
285.03952	1.4
300.99814	3.1
307.04550	9.9
311.07730	8.4
329.08817	21.8
337.05652	2.5
341.08832	4.4
359.09726	5.7
379.06830	2.3
387.07236	63.7
388.07651	2.5
397.07822	2.7
413.16956	1.5
417.08289	29.1
427.08850	1.3
429.08224	1.4
447.09348	8.1
449.13126	7.7
457.04181	1.1
489.10452	6.6
491.15640	2.0
507.11316	16.9
519.11554	3.3
537.12659	2.8
609.15094	1.2
627.16852	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	627.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.0
65.03963	2.0
67.01894	2.2
69.47430	3.6
71.01387	2.2
85.02951	1.2
87.00893	2.2
91.01906	29.0
95.01422	2.1
96.96014	1.4
99.45811	0.9
107.05048	1.6
108.02171	1.3
109.02966	33.2
121.02957	4.2
123.00896	2.3
125.02448	4.5
133.02972	2.4
135.00894	98.6
136.01169	1.5
137.02425	3.6
149.02460	2.4
151.03972	1.2
153.01955	100.0
154.02266	1.7
161.02486	1.7
165.01945	2.5
165.05594	1.5
167.03458	1.3
169.01465	4.8
172.10747	1.1
175.04051	2.8
177.01936	3.0
179.03506	2.0
180.04305	1.6
195.06606	2.7
195.53856	1.0
197.79814	1.0
209.04572	2.4
220.37457	1.0
225.05537	1.0
225.07709	1.3
229.01469	1.4
243.06638	11.7
245.00781	1.0
249.04057	1.6
275.02060	2.4
281.20929	1.2
297.06201	60.8
298.06549	2.4
301.00043	6.2
327.71368	1.1
405.11942	67.9
406.12213	3.2
447.08923	1.2
491.15744	1.6
627.19409	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07370	1.0
59.01387	11.5
59.21845	1.1
60.99305	8.9
69.19696	7.0
71.01392	7.1
85.02953	2.6
88.98279	2.4
88.98814	43.0
89.02455	4.3
101.02457	4.0
107.01382	2.5
108.02219	1.1
113.02455	2.2
116.09560	1.0
119.03521	2.2
121.02971	1.2
123.00907	10.5
124.01656	5.0
125.02465	17.2
139.00372	2.2
140.01147	2.1
151.00391	10.4
152.01125	2.8
168.00648	3.6
169.01437	23.2
179.00072	1.6
187.28665	1.1
195.54567	1.2
209.11816	3.4
210.12111	1.5
211.02469	5.3
269.79364	1.2
271.04581	5.0
300.99936	2.1
313.05832	1.9
398.13840	1.4
409.22202	1.7
410.22580	1.6
411.22714	1.8
475.18463	2.1
537.19849	100.0
538.20264	7.1
564.13403	2.5
627.20007	5.9
627.37177	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	627.2105
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.14053	1.1
56.09261	1.2
66.09611	1.4
70.63677	2.3
80.88754	1.3
116.92933	1.2
188.41154	1.3
234.87781	1.3
438.13232	1.6
452.14957	5.7
481.15128	10.5
493.15198	2.0
495.16696	17.0
496.17410	1.5
508.17609	1.8
523.20325	1.9
535.16278	2.4
536.16956	4.5
540.16418	3.0
551.19452	51.0
552.19659	4.8
554.18073	2.1
555.18726	1.7
572.15497	2.7
595.18463	11.7
627.21021	100.0
628.21417	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	627.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.0
61.98833	6.3
69.03459	3.1
71.01389	4.9
71.42378	2.4
72.55671	2.3
80.02666	2.7
81.03461	5.0
83.01402	3.3
83.05026	8.1
95.05060	5.0
97.02978	11.0
97.06581	2.3
101.02454	3.1
106.04268	2.2
116.29045	2.5
116.54964	2.4
116.92839	3.0
117.41988	2.1
123.08199	5.6
125.09744	7.4
163.11292	6.4
165.12961	3.2
171.10323	4.7
177.12817	2.9
179.14343	2.7
185.11838	3.3
197.09076	3.1
197.11867	32.1
198.12210	19.3
199.12134	3.2
205.12354	12.1
209.09856	5.5
209.11839	100.0
210.12175	15.6
211.13445	7.3
223.13394	99.2
227.12859	11.4
236.13832	2.9
249.11244	9.2
253.09276	3.4
267.12399	10.3
341.15979	10.5
386.02875	2.3
507.29672	3.1
533.27313	4.0
551.28717	77.0
552.28955	3.5
609.31830	4.7
627.30267	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05336	33.5
55.01712	29.5
61.98826	55.2
74.88544	32.5
78.95912	34.4
116.92883	100.0
124.41232	32.1
197.11942	52.1
215.93613	30.4
287.45502	31.6
335.46442	31.0
359.55948	32.1
369.70416	38.2
530.98816	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	68.2
77.32916	39.0
81.94914	39.5
90.98028	35.9
116.92894	100.0
147.62018	49.3
160.59926	39.4
162.91039	35.7
197.11945	36.6
239.35400	45.4
269.06427	36.5
299.22845	39.6
627.28253	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14926	3.2
61.98835	100.0
65.68543	2.9
69.96487	3.0
152.63240	3.2
209.11803	4.0
231.95363	3.0
627.31964	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	629.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
61.98848	1.2
69.18410	2.2
71.01384	0.7
89.02433	0.6
91.38055	0.4
95.41611	0.3
96.96035	0.5
98.22752	0.6
101.02370	0.4
108.87046	0.4
123.00956	0.4
125.02449	1.2
132.02190	0.3
144.02196	0.7
160.01675	0.7
169.01492	1.7
172.01669	1.8
185.02460	0.9
188.01102	0.6
195.06488	0.4
200.01176	2.2
201.01936	0.5
201.33238	0.4
216.00676	4.5
219.14938	0.4
226.99933	0.4
228.00674	1.6
229.01407	1.6
233.48741	0.3
242.99403	1.5
244.00217	3.9
245.00908	0.7
257.01022	1.0
270.98849	1.0
271.99631	1.8
282.98862	0.8
283.99933	0.7
298.98306	0.8
299.99149	100.0
300.99908	42.1
302.00186	1.2
313.05655	0.4
389.21530	0.4
445.04089	1.0
484.92264	0.4
593.20636	0.5
628.37775	1.2
629.15173	72.7
630.15515	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	629.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32617	0.7
53.50914	0.6
59.01384	0.8
69.48380	1.2
69.48779	2.7
71.01386	1.1
72.99301	1.5
75.00882	0.7
87.00882	4.8
91.05543	2.2
95.01353	0.9
96.96024	1.2
97.61835	0.8
106.04289	1.0
107.01429	0.7
107.05054	10.5
111.08160	1.2
115.00405	1.1
117.03478	1.0
121.02956	1.1
123.00894	1.4
124.01644	1.4
125.02473	2.7
131.05005	0.8
133.02980	1.2
133.06615	5.5
135.04529	2.2
149.06099	19.5
150.06479	0.7
155.07166	2.2
163.03902	1.5
169.01451	4.0
175.02484	2.5
177.05566	18.9
179.03510	29.5
195.06682	2.4
199.04527	0.7
199.06120	4.2
209.01108	0.6
231.03081	0.7
233.19749	0.7
239.05624	100.0
240.05986	3.2
275.01932	1.6
298.98712	0.8
299.02170	0.8
300.99963	4.8
310.20175	0.7
389.11002	3.8
429.10510	1.5
450.99780	1.1
497.69339	0.8
649.34302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
60.99307	7.8
69.03459	0.7
71.01376	1.4
79.01865	0.6
85.02957	1.0
88.98817	39.3
89.02437	0.8
90.39606	0.5
93.34251	0.6
95.01400	1.4
96.96022	0.9
97.02962	0.5
98.21851	1.2
101.02477	0.5
105.03532	0.5
107.01403	2.5
108.52380	0.6
111.00890	1.2
119.03499	0.6
121.02966	1.1
123.00894	8.8
124.01677	6.8
125.02458	11.2
138.06876	1.0
138.50896	0.5
139.00381	1.7
140.01205	0.9
141.01930	1.9
148.36388	0.5
151.00401	7.1
153.09224	1.0
159.04510	0.5
163.04012	0.6
168.00633	1.8
169.01443	17.1
181.40385	0.5
211.02496	1.0
223.02753	0.6
225.14990	0.7
271.04559	1.8
287.32071	0.6
300.99869	1.0
313.05692	1.5
364.37811	0.6
407.06094	2.4
441.59891	0.6
539.21393	100.0
540.21698	5.0
563.34595	0.6
582.27631	0.7
599.37231	0.6
614.02594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
60.53903	0.3
61.98838	0.5
63.80638	0.3
69.61917	1.0
71.01377	0.6
73.02948	0.8
75.00880	2.4
89.02457	0.3
96.67558	0.3
98.21891	0.3
99.00883	0.7
99.92592	11.4
101.02471	0.5
103.32528	0.3
104.10506	0.3
105.05434	0.2
106.73483	0.2
114.93421	0.3
116.92870	100.0
117.01936	1.7
117.92898	2.3
122.14923	0.3
123.62256	0.3
125.02485	0.3
147.93266	0.3
161.04565	0.6
169.01462	0.3
171.10248	0.7
173.89931	0.2
175.77873	0.3
183.14027	0.3
185.11742	0.4
197.11806	0.4
199.09822	0.4
211.13405	0.8
213.15027	2.3
225.11345	0.5
373.22354	0.9
432.15616	0.4
471.68912	0.3
538.23682	0.3
553.25116	0.3
629.34180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03228	0.8
55.01875	1.1
57.03448	0.9
59.01384	100.0
70.91381	0.8
71.01388	47.5
72.99323	1.7
73.02929	0.9
83.01402	1.3
85.02957	7.0
87.00878	2.1
89.02454	72.1
89.88740	0.8
93.15372	0.8
95.01389	3.6
96.96037	1.6
101.02453	19.5
106.00227	0.8
107.01383	1.1
109.35355	0.9
113.02466	20.5
119.03517	28.2
119.05018	1.5
123.00869	2.2
124.01654	1.4
125.02469	8.0
131.03517	2.9
143.03528	5.4
145.02983	1.0
149.02446	1.2
149.04526	3.1
150.03252	2.3
151.00276	1.0
161.04570	7.8
163.03952	1.8
165.05568	2.9
169.01457	9.3
179.05620	30.1
195.06613	1.2
203.03452	1.2
211.02528	1.0
217.01398	1.1
228.64127	1.0
229.01392	1.0
246.01810	1.8
247.02429	2.8
249.04028	1.0
275.02014	1.6
300.99896	1.8
306.72266	1.1
409.07471	1.2
534.53613	1.0
535.17151	1.0
539.21411	1.3
550.65662	1.0
585.12561	2.4
629.11365	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	629.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	2.7
58.60079	2.4
59.01375	12.0
61.98835	4.6
71.01385	5.9
71.15368	2.3
72.27235	2.7
73.02932	3.9
85.02924	3.0
89.02440	6.5
97.06601	5.9
99.92574	3.9
101.02453	8.1
106.25030	2.5
113.02467	3.4
116.92883	25.7
125.09765	4.6
127.11234	2.8
131.82805	2.3
134.03244	2.4
151.11281	11.8
161.04521	4.6
169.01558	2.8
169.12337	55.4
171.10240	7.7
185.11792	3.3
197.11844	54.3
199.09779	26.8
201.11320	38.0
209.11806	38.4
211.13480	15.0
213.11385	11.4
235.08128	5.2
253.09296	14.1
254.74954	2.4
375.21683	6.2
435.18845	3.2
449.20224	5.9
467.26810	3.5
593.29047	3.5
611.30621	3.2
629.31805	100.0
630.31903	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	629.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	44.1
65.91213	32.2
76.87104	34.2
77.47459	32.6
115.28794	38.0
119.62530	36.2
129.13173	28.9
137.68912	30.2
160.64954	36.7
171.10178	45.8
207.10217	39.2
209.11870	69.2
211.13414	100.0
227.55829	35.8
344.30722	34.1
387.98480	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	629.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
73.99622	44.4
82.86944	41.0
98.22727	72.3
106.56332	46.1
116.39182	47.6
160.84195	100.0
210.62015	47.9
243.51228	52.4
629.33575	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
61.98840	10.4
69.08828	1.4
69.09236	3.4
71.01369	1.9
72.83234	0.6
75.00881	1.1
79.01871	0.8
83.01385	1.0
85.02957	1.0
95.01378	1.6
97.02943	0.9
100.59702	0.8
101.02458	1.9
107.01369	3.5
111.00869	0.8
113.02411	0.8
123.00897	9.3
124.01679	10.6
125.02460	20.1
139.00362	1.8
140.01140	2.2
141.01955	1.7
151.00381	6.5
168.00681	4.8
169.01442	32.2
177.01945	0.8
177.02556	0.7
177.04041	5.9
181.01408	0.8
192.04291	1.0
207.06699	0.9
207.35114	0.7
211.02501	10.1
234.61554	0.7
243.89130	0.8
271.04617	11.6
282.32922	0.7
285.03970	0.8
299.99234	1.1
303.05191	2.0
313.05524	0.7
329.05127	1.9
331.07178	0.8
360.13730	0.8
377.18127	0.7
567.24506	100.0
568.25085	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	630.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.6
61.98838	27.6
64.68267	0.6
66.76100	0.6
67.96869	0.8
69.28585	3.8
71.01383	2.5
72.99286	1.0
75.00882	1.4
85.02953	1.2
89.02456	0.9
95.01409	1.1
97.03003	0.8
98.21900	1.6
101.02460	1.7
107.01399	3.8
111.00901	1.4
113.02424	0.8
123.00898	10.9
124.01665	7.0
125.02460	22.4
127.41747	0.7
136.98874	0.7
139.00385	2.7
140.01143	2.4
141.01952	1.0
144.65137	0.7
151.00346	6.0
165.02007	1.1
165.05600	1.0
168.00702	5.4
169.01439	33.0
177.01909	1.3
177.04080	5.8
181.04970	0.7
193.05061	1.0
207.06627	1.7
208.06819	1.1
211.02481	9.8
271.04620	11.7
299.99139	0.8
300.99628	1.6
313.05835	1.1
477.78885	0.9
567.24500	100.0
568.24902	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	630.241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54194	0.5
59.01377	3.5
59.17348	0.6
61.98837	16.6
67.17203	0.5
70.10755	0.5
71.01382	2.5
71.05045	0.5
73.02954	1.0
83.22379	0.6
85.02990	1.0
85.11868	0.7
89.02446	0.6
95.01402	1.3
96.96031	1.5
101.02469	1.2
107.01387	1.9
111.00893	2.4
113.02456	0.8
123.00910	8.3
124.01677	10.5
125.02468	10.2
135.04507	0.6
136.98820	1.5
138.86101	0.5
139.00400	2.7
140.01180	3.0
141.01947	2.6
151.00385	5.4
153.36031	0.6
166.99887	0.8
168.00653	11.1
169.01445	14.8
177.03979	0.6
181.05070	0.9
196.07372	0.8
196.44983	0.6
209.11903	0.7
211.02504	2.4
211.09790	0.9
224.03741	0.6
271.04507	1.1
297.06097	1.9
299.98932	1.3
300.99734	0.8
313.05695	0.7
314.06604	0.8
329.05194	0.7
401.10849	0.7
401.59637	0.6
472.88840	0.6
482.85916	0.7
496.19614	0.9
497.20056	3.1
567.24524	100.0
568.24951	7.2
630.14532	0.7
630.24884	0.8
630.31512	0.6
631.31744	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1671
Annotation	Galloylpaeoniflorin
Peak:m/z	Relative Intensity
50.60658	0.8
52.56707	0.8
52.89507	0.9
57.92664	0.8
59.01384	5.1
61.98839	1.0
67.01893	0.9
69.44366	4.4
71.01376	3.7
73.02983	1.0
79.01907	1.7
81.03472	1.8
83.01392	1.6
83.09753	0.9
85.02949	1.2
87.00857	0.8
88.98775	1.1
95.01395	1.7
96.96018	1.4
97.02953	1.7
101.02428	1.2
107.01397	12.7
108.02185	10.1
109.03040	0.9
111.00864	2.8
113.02475	2.3
122.03772	1.0
123.00896	20.8
124.01685	12.9
125.02461	63.8
126.02829	0.8
136.01695	7.4
137.02519	1.1
139.00401	1.4
139.04062	0.8
140.01176	1.9
141.01985	1.2
147.00891	1.9
148.01688	1.7
149.02481	1.2
150.03188	3.2
151.00410	7.3
162.03206	2.8
165.05466	1.2
168.00653	2.6
169.01440	76.3
170.01753	1.9
173.79677	0.8
179.77121	0.8
183.03017	2.4
195.06615	2.2
201.26616	0.9
202.32584	0.9
211.02501	1.9
241.03477	2.0
269.04413	1.2
272.06989	5.4
273.07608	3.5
284.07065	1.5
285.07602	1.4
287.09241	14.4
299.09244	2.8
300.99667	1.3
313.05682	43.9
314.06003	2.5
327.07358	2.0
354.99210	1.0
359.15259	0.9
360.15018	1.8
409.17349	1.1
541.23047	0.9
601.15674	100.0
602.15869	6.2
613.15643	20.4
614.15759	1.4
631.16864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98821	7.6
68.02560	9.5
69.03467	2.8
69.53175	7.9
71.01385	54.3
72.99278	2.1
73.02951	22.4
83.01373	2.8
85.02950	7.6
87.00868	2.6
89.02450	99.8
93.03462	2.2
95.01393	2.9
95.52647	1.6
96.96016	5.6
97.02954	5.8
99.00884	30.1
101.02456	42.5
106.99133	1.7
107.01352	2.6
113.02457	8.3
115.03979	2.2
119.03456	4.4
123.00932	3.2
124.01620	2.0
125.02458	21.7
126.99578	23.4
131.03514	17.5
135.04504	2.0
135.08188	2.6
143.03456	3.0
145.01468	2.2
147.74532	2.1
149.04565	69.7
151.00424	2.5
155.10844	4.8
161.04584	5.1
166.09885	9.6
169.01414	11.0
171.10277	5.8
185.11813	6.4
191.05602	14.0
195.92332	1.9
195.94298	2.0
199.09869	2.5
199.13376	2.4
209.11839	5.6
221.06718	3.9
233.06723	13.3
245.10884	2.3
251.07748	6.9
263.02838	1.9
271.70627	1.7
277.56882	1.9
293.08804	28.7
294.05511	2.2
294.08710	2.4
301.00049	2.0
568.24994	2.5
571.33051	2.9
588.19672	37.5
631.30365	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	631.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42900	0.6
59.01371	1.8
60.60443	0.6
60.99032	0.7
60.99312	10.1
61.98841	1.1
67.01904	0.7
71.01384	2.0
88.98817	49.9
89.02422	0.6
95.01397	1.2
96.96040	4.7
97.02942	1.0
101.02467	0.9
107.01416	3.4
108.02159	0.9
111.00893	1.5
116.92856	0.9
123.00903	11.6
124.01695	7.1
125.02465	16.0
136.98888	0.7
139.00383	1.7
140.01151	0.9
141.01964	1.8
151.00394	6.6
166.99837	0.7
168.00653	2.2
169.01445	21.1
211.02522	1.7
213.37683	0.8
225.98337	0.6
271.04672	0.9
275.02045	0.9
287.09445	0.9
300.02625	0.7
300.99969	1.6
313.05634	3.4
365.56067	0.7
541.22949	100.0
542.23401	6.7
569.18878	4.9
601.15839	6.1
604.03870	0.8
613.15765	2.8
614.15692	0.9
631.10675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72356	0.6
54.05749	0.7
54.82692	0.6
57.74113	0.7
59.01385	100.0
61.98824	1.2
103.00510	5.4
103.01507	70.5
111.47489	0.8
111.72556	0.6
125.50993	0.7
147.71870	0.6
171.10335	0.8
185.11942	1.1
209.11827	0.7
209.29630	0.6
211.13449	0.7
259.79684	0.7
265.42560	0.6
277.54742	0.7
301.00076	0.7
328.26984	0.7
427.13144	0.8
613.04810	0.8
620.60016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3128
Annotation	Sitoindoside IX
Peak:m/z	Relative Intensity
59.01391	0.4
69.17172	1.9
69.21548	0.3
71.01396	0.4
78.01109	0.6
81.03451	0.6
82.00571	0.4
83.05029	1.4
97.02956	0.6
106.31124	0.3
107.01404	4.0
111.00906	1.8
114.06081	0.4
115.07635	0.4
123.00905	4.8
124.01675	15.3
125.02463	19.8
127.00346	0.9
136.98817	1.0
139.00394	2.1
140.01176	2.9
141.01993	0.7
150.03233	0.5
151.00388	2.7
153.01921	0.9
161.02412	0.5
165.05563	0.9
168.00662	3.1
169.01442	18.5
170.01768	0.4
179.03520	0.6
194.05800	0.5
195.06613	1.1
209.08165	1.0
243.12100	0.4
267.67566	0.4
279.08704	0.3
373.12915	0.5
471.20181	1.2
613.30115	1.2
631.31268	100.0
632.31683	7.2
654.04993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	29.6
66.47115	13.2
117.03488	23.0
118.12611	13.8
122.94305	13.6
124.87160	13.3
142.33672	11.7
145.02994	62.0
160.84216	100.0
176.67427	12.4
193.72646	13.4
294.43289	12.8
305.22766	13.4
309.55069	13.7
398.74844	13.8
416.10214	16.7
466.29861	14.3
473.35046	15.5
550.04016	14.1
631.35760	78.6
632.18774	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	9.8
67.01878	1.4
69.54744	1.5
69.55130	2.6
71.01385	1.6
76.84070	0.8
78.49054	0.8
79.01904	1.1
84.05897	0.9
92.72150	0.9
95.01375	2.0
96.95995	2.1
101.02444	1.1
107.01377	3.6
110.00130	1.2
111.00891	1.6
113.02467	1.0
113.68042	1.0
121.02969	1.7
123.00088	1.6
123.00901	14.7
124.01678	10.7
125.02461	18.4
126.02744	1.3
127.00404	0.9
136.98726	1.7
139.00337	3.1
139.04077	1.0
140.01152	3.5
141.01932	2.4
145.81334	1.0
146.77287	0.9
151.00398	9.1
166.06361	12.3
167.07170	1.0
168.00641	7.7
169.01443	24.2
181.08719	4.8
183.02971	1.8
193.01439	1.1
211.02434	3.3
214.42747	1.1
225.03995	2.9
271.04578	1.9
275.02087	1.2
276.91446	1.0
285.06039	1.5
300.99786	4.3
313.05804	1.7
356.19467	1.0
387.09348	1.8
414.91473	1.1
480.67831	1.0
569.18774	100.0
570.18622	4.7
614.06458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53605	0.5
52.30563	0.6
57.03444	0.6
58.49817	0.6
59.01383	8.6
61.98841	7.1
63.05431	0.5
63.11845	0.5
69.64898	2.3
71.01384	4.2
73.02956	1.1
79.01907	1.3
81.03471	1.0
85.02964	1.9
87.00883	1.0
89.02460	2.0
95.01398	1.8
96.96032	1.1
97.02956	1.7
101.02482	3.1
107.01398	4.7
111.00935	1.1
113.02455	1.9
115.04008	3.0
119.03513	0.9
123.00895	14.6
124.01698	4.6
125.02462	20.8
125.09727	2.3
135.04512	0.7
136.07695	1.0
136.50320	0.6
136.98846	0.6
139.00378	2.6
140.01193	1.4
141.01921	2.5
148.04015	3.1
149.04700	0.7
150.05624	2.9
151.00386	9.3
160.04001	0.7
161.04753	1.1
162.05640	0.7
168.00664	3.6
169.01447	29.1
171.10226	1.0
173.03569	0.8
174.04332	2.0
181.05138	0.7
185.11874	1.1
187.09789	2.5
190.07565	1.7
191.05823	1.4
193.16072	1.0
204.06612	2.5
209.11836	2.4
211.02507	7.6
216.09041	1.0
225.11276	0.9
229.06134	0.7
232.08533	2.2
237.14880	0.8
253.03641	1.0
256.08435	0.6
271.04654	8.5
299.14029	1.1
300.99979	1.1
313.05637	3.3
342.15240	0.6
362.66998	0.6
408.19345	0.7
423.18799	1.1
424.18927	1.4
432.91058	0.6
454.19818	1.8
496.20844	2.6
503.19272	0.7
510.19330	0.6
515.22449	0.7
528.23145	0.7
554.21484	0.9
555.22601	2.3
569.22430	100.0
570.22815	7.8
607.80072	0.7
629.29791	0.6
632.30078	0.8
633.32068	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	632.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.5
60.19364	0.4
61.98836	10.4
67.01912	0.8
69.03426	0.5
69.88583	1.0
69.88921	0.5
71.01390	2.2
73.02935	0.6
73.83508	0.4
74.78922	0.4
79.01886	0.6
83.01379	0.9
85.02950	1.3
89.02435	0.9
95.01377	1.4
97.02962	0.9
98.22608	0.6
99.00945	0.5
101.02464	1.3
105.65879	0.4
107.01409	3.0
107.49068	0.4
111.00903	1.1
113.02459	0.9
123.00911	11.7
123.04556	0.5
124.01681	5.9
125.02467	15.2
136.98820	0.8
139.00377	1.9
140.01146	1.5
141.01936	2.0
145.27850	0.5
151.00394	9.6
153.01855	0.6
165.05519	0.6
168.00652	1.9
169.01445	23.2
170.01797	0.5
179.03499	0.5
181.05147	0.5
211.02490	2.8
253.03331	0.5
261.71820	0.5
271.04660	4.2
313.05667	1.9
536.74866	0.5
569.26080	100.0
570.26422	6.8
593.08423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0741
Annotation	Corilagin
Peak:m/z	Relative Intensity
68.50797	0.8
95.01402	0.9
106.66875	0.7
107.01414	3.1
120.16280	0.7
123.00898	3.2
124.01691	1.0
125.02467	9.8
129.03587	0.8
133.02927	0.9
145.02971	1.4
147.04555	2.2
157.03017	1.0
159.04529	1.1
161.02449	1.2
163.04022	2.0
169.01408	7.7
173.02451	2.5
175.04015	2.4
177.01935	1.1
185.02461	4.7
189.01888	1.0
190.02664	0.9
191.03532	1.3
201.01984	5.0
203.03484	6.7
213.01932	1.5
219.02983	1.9
229.01421	12.3
231.02965	5.2
236.05589	0.8
245.00902	2.3
247.02449	2.1
249.04031	7.7
257.00925	10.3
258.01620	4.3
273.00476	1.2
274.01248	2.0
275.02017	41.8
276.02444	1.2
283.99725	2.3
284.99719	0.8
285.82043	0.8
299.01880	2.2
299.99130	3.2
300.99930	100.0
302.00244	4.4
463.05109	1.6
481.06274	6.2
571.06580	0.9
633.07361	57.2
634.08124	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	633.0738
Annotation	Corilagin
Peak:m/z	Relative Intensity
70.29965	1.8
71.01380	1.1
76.44754	0.7
81.27533	0.7
95.01395	1.5
107.01395	2.9
123.00928	4.7
124.01678	1.8
125.02459	12.8
131.05042	0.9
145.02956	1.6
147.04530	2.7
157.02940	0.9
159.04514	2.2
163.04045	1.5
169.01451	9.6
172.58455	0.8
173.02460	2.4
175.04030	5.0
177.01976	1.9
179.78189	0.9
185.02469	2.2
187.03996	1.1
189.01898	0.8
190.02806	1.2
191.03560	2.3
201.01904	3.8
203.03490	11.5
213.01926	1.9
219.03149	1.1
229.01436	12.1
231.02974	13.3
245.00920	2.1
247.02464	1.9
249.04071	26.5
257.00876	9.7
258.01633	3.3
273.00479	2.2
274.01193	1.0
275.02005	46.3
276.02325	2.3
283.99664	3.5
299.99146	2.6
300.99933	100.0
302.00156	3.8
331.06650	1.4
419.06100	1.8
425.09921	0.9
481.06049	3.6
633.07391	68.2
634.07813	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	633.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78047	0.5
60.73299	0.5
70.69075	1.0
82.82530	0.5
87.09222	0.6
107.01389	1.9
115.75771	0.7
117.03454	0.6
123.00916	2.6
124.01705	1.3
125.02472	6.2
129.03494	1.1
131.05064	0.6
133.03000	0.7
145.02979	2.3
147.04521	1.8
151.00316	0.8
157.03011	1.9
159.04541	0.9
161.02423	0.5
163.04044	2.1
165.01892	0.6
169.01450	6.3
173.02429	3.9
175.04012	3.9
185.02509	2.7
187.04109	0.7
189.01939	1.1
190.02800	0.9
191.03514	3.1
201.01970	7.6
203.03543	7.2
205.01570	0.6
211.02510	2.4
213.01915	1.6
214.02689	0.7
217.01331	0.8
219.03049	2.2
226.99963	0.7
229.01427	17.3
230.01933	0.9
231.03012	4.9
243.03130	0.7
245.00922	2.4
247.02495	2.1
249.04060	3.7
257.00931	15.2
258.01669	5.9
271.04697	0.7
273.00427	0.9
274.01141	1.1
275.02005	48.8
276.02335	1.5
283.99649	3.5
299.99265	3.3
300.99930	100.0
302.00198	3.4
347.14899	0.7
421.23599	0.6
481.06039	1.0
491.54987	0.7
550.29352	0.8
633.07416	61.8
634.07904	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	633.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33527	0.4
63.65757	0.3
65.00353	0.4
69.40103	1.7
80.96277	0.4
82.13396	0.3
83.01422	0.4
95.01415	1.9
97.02936	0.5
101.03988	0.4
102.77995	0.4
107.01405	1.0
117.03474	0.5
123.00884	3.6
124.01682	0.7
125.02454	4.9
139.00392	0.5
142.81760	0.5
143.05103	0.4
145.03029	1.8
147.04547	0.7
151.00368	1.1
157.02959	1.0
159.04590	0.6
161.02464	0.6
163.00464	0.5
163.03964	1.0
165.01935	0.5
166.99883	0.8
169.01459	4.6
173.02452	2.5
175.00423	0.4
175.04030	1.3
176.01208	0.5
177.01985	0.9
185.02419	3.4
187.04063	0.6
188.76862	0.4
189.01862	0.5
190.02681	0.4
191.03528	1.5
193.01497	0.5
201.01932	3.1
203.03520	3.1
205.01372	0.5
211.02486	0.8
213.01863	1.0
217.01511	0.9
219.02885	0.6
227.00038	0.5
228.00543	0.7
229.01437	7.9
229.03578	0.7
230.02269	0.6
231.02986	3.4
245.00893	2.1
246.58066	0.4
247.02551	1.1
248.03214	0.4
249.04045	6.2
254.99554	0.5
257.00934	6.3
258.01651	1.7
260.52042	0.4
273.00385	0.9
274.01199	1.1
275.02011	16.2
276.02277	0.9
283.99640	3.1
299.99078	3.3
300.99924	100.0
302.00241	4.2
312.99966	0.5
313.05881	0.7
330.60956	0.4
331.06879	0.6
377.42950	0.4
407.20349	0.4
462.98721	0.5
463.05228	7.3
464.05563	0.5
465.06375	0.7
481.06235	0.8
560.07703	0.4
615.06720	1.2
633.07428	34.7
634.07678	2.3
647.84119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50878	0.4
54.19675	0.4
66.74931	0.5
69.45261	0.9
69.45663	1.6
72.25855	0.5
72.73943	0.4
72.83426	0.4
95.01387	0.5
107.01411	1.1
110.81514	0.4
119.05039	0.5
123.00866	2.6
124.01666	1.3
125.02455	5.2
129.03438	0.5
131.05081	0.6
133.03015	0.9
139.93611	0.4
145.02988	2.5
147.04558	3.2
151.00378	0.7
157.03003	1.8
159.04546	1.6
161.02441	0.6
163.04012	1.1
167.00093	0.5
168.00716	0.6
169.01477	5.3
173.02496	2.9
174.03323	0.7
175.04021	2.5
177.01920	0.9
185.02446	4.2
187.04042	0.9
190.02704	0.7
191.03517	2.4
201.01932	5.6
203.03537	7.6
203.54767	0.5
204.03976	0.5
211.02518	1.5
213.01973	1.4
217.01541	0.9
218.02238	0.7
219.03072	1.7
226.99922	0.8
229.01428	15.0
230.02142	1.0
231.03006	5.7
245.00905	2.6
247.02518	1.5
249.04024	4.5
257.00940	13.4
258.01688	5.3
259.02344	0.6
271.04761	0.7
273.00308	1.1
274.01236	0.8
275.02005	51.9
276.02383	2.3
283.99780	2.9
299.99265	2.7
300.99930	100.0
302.00311	3.6
313.05753	0.8
433.79941	0.5
468.44312	0.5
497.59158	0.5
542.79022	0.6
633.07422	45.7
634.07471	3.6
638.35962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0739
Annotation	Corilagin
Peak:m/z	Relative Intensity
59.01389	1.1
61.82239	0.6
69.56837	2.8
71.01375	0.9
85.02975	0.6
93.78802	0.6
95.01401	1.3
97.02991	1.1
98.21933	1.3
107.01422	1.8
123.00910	4.2
124.01664	1.4
125.02457	13.6
131.05089	1.0
145.02977	1.5
147.04518	1.4
157.02972	1.4
159.04527	2.1
163.04010	1.2
164.01215	0.8
169.01427	9.5
169.02777	0.9
173.02443	2.3
175.03986	3.9
177.01955	2.2
185.02496	3.5
187.04008	1.3
189.01898	1.6
190.02802	1.2
191.03548	1.2
201.01949	4.5
203.03499	9.8
211.02470	1.2
213.01953	1.9
214.02789	0.7
217.01512	1.0
219.03033	1.7
227.87433	0.7
229.01424	12.8
230.01945	1.2
231.02988	10.9
245.00967	2.2
247.02538	1.4
249.04041	18.0
250.04465	1.1
257.00922	10.9
258.01736	3.8
273.00494	1.6
274.01135	1.4
275.01993	41.5
276.02396	1.8
283.99603	2.9
299.99149	4.1
300.99915	100.0
302.00290	3.2
307.13309	0.7
355.05008	0.6
463.05334	0.8
481.06219	4.0
633.07367	66.8
634.07928	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	633.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98820	3.0
65.62066	0.7
67.01883	0.9
68.99827	0.8
69.03460	1.6
71.01369	2.5
72.99290	1.5
75.00871	2.3
78.91837	0.8
81.03471	2.0
84.95141	1.2
85.02950	3.4
87.00853	0.9
95.01383	2.0
96.95944	1.0
97.02961	2.8
97.06588	0.7
97.17102	0.7
99.00872	1.0
101.02431	1.0
106.11095	0.8
107.01395	7.8
111.00877	2.0
112.91787	0.8
113.02483	1.1
116.92888	1.0
117.42123	0.7
123.00894	9.8
123.04546	0.8
124.01695	9.3
125.02460	61.3
127.00393	1.0
135.04510	0.7
139.00345	2.0
140.01151	2.0
141.01933	1.7
149.46863	0.7
151.00406	5.2
153.01889	1.0
159.03023	1.9
162.03204	1.5
164.04868	0.7
165.02020	0.8
166.99802	1.4
167.03563	0.8
168.00652	9.5
169.01439	81.8
170.01704	0.8
177.04034	8.4
177.05627	2.0
178.99828	1.2
181.04910	1.4
193.05023	0.8
195.06592	0.8
211.02463	2.1
237.04044	1.0
267.05066	1.1
271.04486	1.2
300.99814	2.3
311.04019	3.1
313.05646	1.5
329.05215	3.6
463.16022	1.4
470.19467	2.1
481.06198	7.1
481.16925	4.2
570.25885	1.4
633.18243	100.0
634.18726	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	633.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09355	0.5
59.01385	10.4
61.98843	1.1
69.03472	1.0
69.24981	3.5
71.01404	2.4
71.84029	0.5
81.03464	0.8
82.29813	0.6
83.31259	0.5
85.02988	0.8
89.02456	1.2
95.01424	1.3
97.02977	1.1
101.02457	1.2
107.01402	22.8
113.02468	1.6
116.92861	0.8
122.06109	0.6
123.00911	1.6
124.01681	1.5
125.02467	54.3
125.09754	1.4
126.02808	0.9
134.60246	0.6
136.07587	0.7
139.00366	0.6
146.96049	0.5
148.04082	1.7
149.04813	0.6
150.05612	2.2
150.09242	1.1
161.04747	0.9
164.86612	0.6
165.05644	0.6
168.00671	1.2
169.01445	100.0
170.01791	1.9
171.10295	6.4
174.04407	1.2
178.81847	0.7
185.11743	0.9
187.09808	0.7
190.07465	1.6
204.06593	0.6
207.10178	0.8
209.11841	1.2
215.12013	1.2
225.11256	1.4
232.08569	1.3
235.08255	0.6
239.11807	0.9
241.09877	2.6
243.07817	0.7
253.09180	1.0
256.08463	0.6
256.21683	0.6
265.05209	0.6
269.09296	0.6
275.02066	1.6
299.13919	0.7
300.99905	4.9
305.06689	63.0
306.06967	1.6
327.09726	0.8
343.13083	1.0
373.26190	0.7
382.17639	1.3
434.17090	1.9
436.18533	0.8
440.18384	0.6
449.10867	1.6
452.18417	0.9
454.20001	4.2
466.19641	2.7
467.12180	4.5
496.20599	1.8
510.17905	0.7
555.22614	1.1
573.33929	1.3
589.26373	0.7
591.34174	0.9
615.24506	0.9
633.21674	29.7
634.22003	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.6
57.44485	0.8
59.01383	24.9
61.98829	1.3
64.77809	1.0
69.03474	1.3
71.01386	8.4
71.26656	1.0
73.02937	2.7
78.25283	0.9
81.03487	1.4
82.95428	2.0
83.01392	1.2
83.05023	3.3
84.02154	1.2
85.02964	2.6
87.00858	1.0
89.02452	4.8
95.05025	2.3
97.06607	15.8
98.21844	2.3
101.02451	6.0
113.02457	5.0
119.03507	1.2
123.08183	8.7
125.02444	1.6
125.09734	100.0
126.10050	2.2
140.31490	0.8
143.10771	2.4
148.04059	3.9
149.04852	1.1
150.05637	2.7
159.05650	0.9
161.04631	4.0
162.05623	1.0
163.11269	2.3
165.12811	1.2
169.08693	2.7
171.10266	3.6
174.04337	2.2
181.12309	0.9
183.67931	0.9
187.09776	59.5
190.07529	2.2
204.06689	2.0
209.11835	46.9
210.12178	1.0
227.12901	4.4
232.08508	1.0
235.08250	1.7
244.08502	1.7
253.09367	4.0
261.13513	1.4
300.99908	1.8
405.17798	6.5
423.18716	15.4
424.18890	1.0
452.18695	1.4
454.20038	3.0
492.17593	1.4
496.20898	2.4
515.22717	1.9
555.22253	1.9
573.34406	2.4
615.30573	6.2
633.31317	81.5
634.31769	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	633.381
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
58.41630	0.7
69.53588	2.0
78.95943	0.8
83.41575	0.8
98.20650	0.8
117.03478	28.5
118.04297	0.9
119.05037	24.3
121.02973	1.5
125.09730	1.4
145.02971	92.5
146.03320	1.6
160.84187	1.9
162.83943	3.1
163.04016	11.8
209.11792	1.7
300.99939	1.6
377.29019	0.8
469.33423	1.9
471.34671	1.9
513.32275	3.1
633.38080	100.0
634.19452	1.6
634.38641	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	633.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.4
70.83205	0.7
100.76234	0.3
101.70584	0.3
102.41189	0.3
115.61781	0.3
117.03479	24.7
119.05042	3.6
145.02972	100.0
146.03310	1.9
147.04518	0.4
163.04071	2.5
165.72844	0.3
181.09628	0.4
218.44232	0.3
301.00040	0.8
310.99774	0.4
455.31802	0.7
467.31693	0.6
469.33475	0.6
513.32971	0.4
615.45270	0.4
633.38031	81.0
634.38379	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	633.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71192	0.4
52.30769	0.3
53.51901	0.3
54.08788	0.3
69.06198	0.3
69.06525	2.6
71.31416	0.3
89.03988	0.4
91.42813	0.3
98.22718	0.6
108.14336	0.3
110.25034	0.3
117.03481	21.7
118.04301	0.4
118.95351	0.3
119.05042	3.1
119.20325	0.3
125.30585	0.3
129.17174	0.3
135.69608	0.3
145.02966	100.0
146.03288	1.5
163.04057	2.9
203.91142	0.3
226.38623	0.3
273.27707	0.3
367.37042	0.3
409.89474	0.3
425.30847	0.4
437.30984	0.4
455.31708	0.5
469.33319	0.7
633.38013	74.9
634.38403	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	633.38
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
50.01266	0.6
56.10093	0.6
59.63749	0.6
61.98837	1.1
69.69170	1.5
78.42345	0.6
78.95906	0.9
90.72148	0.6
117.03497	0.7
132.02264	0.9
133.02966	18.1
134.03731	2.8
135.04549	5.0
137.02444	1.0
161.02460	63.1
162.02768	1.0
179.03523	1.7
300.99835	0.7
351.59985	0.7
422.91724	0.6
449.24066	0.6
475.57971	0.6
633.37994	100.0
634.38440	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	633.3803
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
57.98281	0.4
61.98830	0.6
71.25311	0.4
71.25656	0.5
75.29559	0.4
78.95940	0.6
90.16830	0.4
107.98789	0.4
116.92886	0.5
117.03482	27.4
119.05047	4.1
119.94652	0.4
145.02969	100.0
146.03307	1.7
163.03990	0.6
255.08374	0.5
327.72485	0.4
421.31128	1.1
467.31821	0.8
487.34460	0.7
513.32550	0.9
633.38031	54.2
634.38287	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3803
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.06029	2.3
61.98817	2.1
68.44424	2.5
71.19263	2.4
117.03507	25.1
119.05022	3.8
145.02974	100.0
163.03940	2.8
195.29295	2.6
300.99847	3.4
314.72775	2.2
633.37988	90.2
634.38245	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	634.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75684	17.9
61.98811	30.2
65.70498	16.0
69.17459	16.7
82.95393	28.7
88.81251	15.4
92.90360	15.8
145.02946	61.4
146.03285	25.8
158.14482	17.9
158.89119	16.8
162.83946	86.8
164.82202	16.1
164.83586	56.5
183.32545	16.0
209.11870	93.7
475.26620	21.4
634.17999	41.4
634.38440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37085	1.2
52.96531	1.1
57.03446	2.9
59.01390	10.2
61.98838	13.0
63.02405	7.0
65.00327	5.2
67.24172	1.2
69.14074	7.4
69.73058	1.0
69.83425	1.2
75.64687	1.1
79.95620	1.0
83.01413	5.8
90.29511	1.1
96.96021	2.9
99.00933	1.2
107.01405	13.6
109.02934	1.8
116.92776	1.2
123.00907	2.3
125.02456	10.5
126.12234	1.1
137.02493	6.4
139.80293	1.1
141.01726	7.1
150.03107	1.5
150.99181	1.7
151.00392	33.3
152.01227	2.0
153.01988	3.5
155.05074	1.8
163.00398	2.4
165.01945	4.1
169.01460	11.8
171.18274	1.1
173.02477	1.6
175.03963	1.6
177.01926	2.9
178.99890	46.6
183.03000	9.9
183.04582	3.3
185.02472	1.2
187.04004	2.3
189.01959	1.2
189.05495	1.3
190.99892	1.8
193.01471	5.1
199.04033	5.2
201.05608	2.0
203.03511	3.0
211.04042	4.5
213.01973	3.0
215.03523	3.3
227.03516	11.3
228.04259	1.6
229.01524	1.6
229.05133	1.8
231.02982	3.4
239.03532	3.6
241.01450	1.8
242.02187	3.6
243.03018	5.5
245.04543	1.2
253.01355	1.7
255.03017	13.2
257.04581	3.9
259.02390	7.3
260.03238	8.0
261.03937	6.2
265.01407	1.5
267.02899	2.6
269.00900	2.8
271.02502	1.9
273.04062	3.8
279.03061	1.9
281.04657	3.8
283.02557	13.5
285.04138	1.5
287.01978	3.6
293.04428	1.3
295.02798	2.0
295.05975	1.8
299.02011	8.3
300.02731	2.2
301.03635	4.3
305.04221	1.9
309.00491	1.8
309.03909	3.1
311.02048	18.2
312.02536	3.3
313.03406	2.6
315.01514	3.8
316.02298	1.6
317.03006	8.2
322.04962	2.3
323.05618	1.8
325.03571	2.5
327.01385	6.1
327.05145	3.0
329.03073	31.4
330.03464	1.9
333.03934	1.6
335.13467	1.3
339.01541	1.7
347.05585	1.6
349.03235	2.6
351.05106	9.6
353.02814	1.3
357.02560	2.5
357.66617	1.3
363.01352	3.0
364.99445	3.9
365.06485	1.3
373.03622	1.6
375.04965	2.4
379.04504	1.7
383.00391	1.3
387.01486	1.5
391.04550	6.8
393.06049	5.9
401.03006	1.4
418.03232	1.5
419.04123	22.2
420.03787	1.6
425.06696	1.3
429.02426	2.8
435.03561	2.8
437.05280	3.3
447.03217	1.6
451.02994	2.0
455.06155	3.5
473.01608	2.5
491.02435	5.5
507.05762	2.7
509.03665	100.0
510.04001	6.6
531.05890	9.3
555.05457	1.4
573.06866	18.8
581.03906	1.9
599.04547	5.8
616.09650	1.3
617.05878	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	635.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39928	1.5
57.03432	2.6
57.80190	1.3
59.01388	11.3
61.98840	8.8
63.02400	4.3
64.00487	1.3
65.00335	5.3
69.73336	2.8
69.73722	3.4
79.03963	1.6
79.95752	1.4
82.95442	2.5
83.01403	4.9
84.06244	1.3
96.96019	9.9
107.01407	14.9
109.02978	2.6
124.01653	1.8
125.02453	12.0
133.03001	2.3
137.02467	4.5
140.99747	1.4
141.01717	5.0
149.02519	1.6
150.99190	1.8
151.00388	34.5
153.01974	2.9
161.02458	2.2
163.00401	2.4
165.27176	1.5
167.73332	1.4
169.01419	11.1
171.04547	2.1
173.91034	1.7
175.04022	1.8
177.02017	1.5
178.99879	41.4
181.02937	1.5
183.04558	4.1
189.01976	2.3
193.01408	5.2
199.04059	8.2
201.05731	1.6
203.03506	3.3
211.04001	4.7
215.03540	2.6
217.05016	2.6
227.03500	12.7
229.05157	3.5
231.02893	3.2
242.02168	2.6
243.03008	3.9
245.04466	2.4
253.01456	3.6
255.03001	11.7
256.03711	1.7
257.04657	5.0
258.01901	1.6
259.02496	5.1
260.03204	2.7
265.01428	1.9
265.05002	2.4
266.02283	4.0
267.03085	1.8
271.02484	3.4
273.04059	4.7
281.04453	2.4
282.01624	1.9
283.02579	13.5
284.03146	2.5
287.01959	2.5
297.03864	1.7
299.01978	7.3
299.05261	1.6
301.03555	4.8
305.04684	1.9
307.02490	1.5
309.00534	2.5
309.03851	2.5
310.01193	2.0
311.01974	14.9
312.02597	4.6
313.03543	2.3
315.01581	5.3
317.03049	8.5
321.04208	1.7
325.03470	1.9
327.01556	3.3
327.05136	3.2
329.03049	32.9
330.03366	2.3
336.99820	2.9
345.04111	2.5
351.05133	12.0
357.02454	3.4
363.01459	4.0
364.99417	5.9
365.06711	3.0
376.04446	1.9
377.02917	1.9
391.04544	7.2
393.06219	6.6
401.03064	2.5
403.04526	1.9
418.03436	2.7
419.04086	23.3
429.02554	2.7
435.03964	2.1
437.05258	2.3
451.02939	2.8
455.00507	2.5
469.05698	1.7
473.01581	3.6
491.03061	7.2
507.05679	5.8
509.03647	100.0
510.04028	6.6
531.05878	10.0
555.05536	2.2
573.06677	13.2
599.04547	6.6
617.06042	7.6
635.18054	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	635.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.9
59.01387	18.7
61.98806	1.3
63.02390	10.1
65.00330	6.8
69.30350	7.0
82.95411	1.5
83.01392	7.0
88.46605	1.2
96.95996	3.0
107.01405	15.6
109.02905	1.7
123.00877	1.7
123.04562	1.6
125.02460	90.1
126.02821	1.4
133.02968	2.6
135.04504	1.3
137.02441	3.0
141.01730	14.6
143.05089	2.7
147.04456	2.8
148.01698	1.4
149.02477	2.4
150.99164	2.2
151.00383	38.1
152.01044	1.4
153.01880	3.0
158.77681	1.2
159.04541	7.1
163.00391	2.9
163.04039	1.3
165.01978	3.9
169.01447	10.6
171.04558	3.5
173.06097	1.3
175.03976	4.4
177.01958	18.0
178.99869	54.9
183.03046	2.5
183.04507	2.4
187.04007	5.3
189.01860	2.9
189.05524	2.2
190.99867	1.7
193.01393	13.1
197.02536	1.5
198.03174	1.8
199.04008	6.6
201.01906	1.6
203.03551	4.1
209.02362	1.4
211.04057	3.8
213.01950	2.9
213.05621	1.8
214.02638	2.4
215.03479	6.9
215.95642	1.3
216.00638	2.1
217.01439	3.2
225.01949	1.6
226.02684	1.9
227.03531	7.9
229.01408	2.2
229.05081	2.7
230.02246	1.8
231.02991	12.7
239.03447	3.1
239.11838	3.5
241.01257	1.8
242.02235	3.2
243.02995	10.3
244.00124	3.7
245.00917	23.1
245.04521	1.7
246.01575	5.1
253.01430	2.3
253.04916	1.4
255.03023	7.9
257.00772	2.2
257.04486	4.5
258.01645	2.0
259.02484	76.6
260.03214	17.4
261.01666	1.8
261.04074	15.0
265.01312	1.8
267.02905	2.3
269.00861	2.9
271.02405	11.3
273.04099	6.6
281.00980	2.2
283.02518	12.0
285.04080	2.0
287.02005	35.3
288.02505	2.8
295.02710	1.9
295.06299	1.8
297.00427	2.7
299.01855	5.2
301.03549	3.6
309.00497	1.4
309.03970	2.3
311.02008	14.4
312.02646	2.4
313.03494	2.9
314.00638	1.9
315.01501	100.0
316.01923	4.6
317.03232	1.9
327.01410	6.4
327.05078	2.6
329.03030	25.1
337.03564	2.7
339.01416	1.9
351.05057	7.1
355.04657	7.1
357.02466	3.6
364.99417	1.8
373.03809	1.6
379.04617	1.8
391.04391	2.6
393.06210	3.6
397.05624	6.6
405.02353	1.9
406.17566	1.7
418.03290	1.5
419.04276	6.3
423.03635	22.0
437.05203	4.3
441.04694	15.2
447.03647	1.5
455.06113	2.7
465.04816	1.8
491.02615	4.6
509.03662	66.7
510.03806	4.9
531.05914	2.8
573.06818	3.6
575.30975	5.3
617.05585	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	635.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59595	0.4
59.01379	0.5
67.01891	0.5
69.03476	2.0
69.29486	2.5
71.01387	2.2
81.03472	2.0
83.01395	0.7
85.02974	1.4
85.55502	0.4
95.01409	1.1
97.02953	2.9
101.02461	1.3
107.01400	6.7
107.02052	0.6
111.00885	1.3
113.02474	1.1
121.02983	0.9
123.00901	4.6
124.01692	6.3
125.02464	87.9
126.02807	1.7
127.00400	0.4
137.02451	1.2
139.00417	1.2
140.01170	1.5
141.01938	0.9
143.03545	0.9
149.02466	0.8
151.00385	2.8
165.01907	0.6
166.99840	0.5
168.00679	5.7
169.01447	100.0
170.01801	2.1
179.03540	0.7
181.01492	1.7
183.03027	0.7
193.01456	5.1
207.02974	0.9
211.02525	10.9
223.02483	0.7
235.02492	1.4
241.03574	1.4
241.31436	0.5
247.09381	0.5
253.03688	0.4
271.04639	5.8
295.04617	5.4
300.99908	0.8
312.43668	0.4
313.05728	8.2
331.06705	0.7
366.60483	0.4
382.09048	0.5
405.04660	0.9
423.05811	3.9
447.05551	0.5
465.06808	10.8
483.07904	14.0
584.90533	0.4
635.08960	68.2
636.09082	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	635.0891
Annotation	Gallotannin
Peak:m/z	Relative Intensity
59.01385	1.5
59.25225	0.6
60.08919	0.6
67.01913	0.8
69.03460	1.1
69.41116	3.3
71.01402	2.3
73.10193	0.6
80.84612	0.6
81.03462	1.6
83.01400	0.7
85.02966	1.8
95.01385	0.8
97.02984	2.2
98.21812	0.7
101.02456	1.6
104.25930	0.7
104.26685	0.6
107.01396	8.7
113.02451	2.1
123.00894	6.5
124.01669	7.6
125.02457	73.7
139.00392	1.1
139.84181	0.6
140.01167	1.3
141.01990	1.3
149.02437	0.9
150.03249	1.3
151.00415	3.7
153.01945	0.9
165.01961	2.7
165.05606	2.2
168.00645	5.0
169.01448	100.0
170.01808	2.3
179.03497	0.9
180.04225	1.6
193.01483	4.1
195.06673	4.1
207.03073	1.2
211.02481	11.8
211.04300	1.0
221.01286	0.6
223.02579	0.7
235.02454	0.9
241.03572	3.0
243.08635	0.7
253.03618	1.0
271.04581	6.3
275.01923	0.8
295.04568	4.0
300.99915	0.9
313.05670	19.7
314.06030	0.8
331.06827	2.5
368.76218	0.8
423.05869	0.9
439.08795	1.0
465.06735	32.3
466.07550	1.2
483.07767	19.7
484.08279	1.2
617.07416	1.1
635.08899	45.6
636.09369	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	635.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80443	0.9
53.53910	0.8
63.02390	1.3
65.00315	1.2
67.01892	1.5
68.99861	0.9
69.03436	1.7
69.29714	5.2
71.01391	4.8
79.01910	1.1
81.03458	2.1
83.01374	1.1
87.00873	1.0
94.98083	2.3
95.01400	3.8
96.96006	3.5
97.02946	2.3
98.22673	1.4
101.02442	1.0
104.87080	0.9
107.01404	13.2
109.02958	1.0
110.84829	1.0
111.00883	2.9
113.02422	1.8
121.02918	1.4
123.00892	15.4
124.01682	20.6
125.02460	74.5
126.02795	2.8
127.00379	1.2
136.98798	2.9
137.02463	3.3
139.00414	7.3
139.04037	1.7
140.01167	6.3
141.01942	3.8
151.00377	13.7
152.01012	0.9
153.01938	4.5
154.02762	2.1
155.03520	2.3
159.04465	1.0
161.02419	1.9
163.03990	2.1
165.01962	2.1
166.99886	3.6
168.00668	17.2
169.01439	86.0
170.01901	1.1
178.99869	15.0
179.03439	1.6
183.02954	3.0
189.01904	0.9
193.01395	3.2
202.07394	1.0
211.02454	4.9
223.02538	2.0
227.03532	1.1
231.03079	1.3
237.04121	1.5
245.04738	1.1
295.04529	2.2
297.06189	4.4
299.01874	1.3
313.05643	15.3
317.03027	8.7
449.07181	2.1
465.06714	36.1
479.08252	1.2
483.11765	5.5
509.03925	2.5
635.12598	100.0
636.12915	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	635.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
59.01384	0.5
61.68007	0.3
63.02404	0.9
65.00340	0.9
67.01904	1.1
68.99814	0.3
69.03458	1.8
71.01388	2.4
73.02973	0.3
78.01116	0.8
79.01888	1.2
79.38984	0.3
81.03468	1.2
82.00615	0.5
83.01403	0.8
85.02953	1.0
87.00875	0.7
93.03454	0.5
95.01381	2.8
96.96013	1.6
97.02959	2.1
101.02438	0.3
107.01401	11.7
109.02958	0.9
110.00102	0.8
111.00898	3.1
113.02468	0.8
121.02966	0.6
123.00900	11.3
124.01675	14.5
125.02462	52.0
126.02805	1.2
127.00408	1.2
136.98801	1.4
137.02492	1.8
139.00389	11.5
139.04045	2.1
140.01175	7.8
141.01970	2.5
145.02972	0.4
149.02419	0.7
150.03238	0.4
151.00381	6.2
151.04039	0.4
152.01068	0.4
153.01945	3.4
154.02753	5.3
155.03537	1.8
161.02432	0.4
163.00417	0.4
163.04068	0.6
164.01160	0.9
165.01903	1.3
166.02783	0.4
166.99850	1.8
167.03554	0.8
168.00664	12.0
169.01439	52.0
169.05049	2.2
170.01770	1.5
175.03990	1.0
178.99896	4.8
179.03474	1.1
181.01393	0.6
182.02182	0.6
183.02991	5.8
191.03413	0.7
192.00584	0.3
193.01424	1.2
195.02879	0.4
197.04614	0.6
211.02464	1.4
215.03714	0.4
221.04485	0.7
223.02390	0.7
225.04099	0.8
235.02492	0.3
237.04001	1.6
240.51900	0.3
253.03534	0.5
279.05173	0.5
285.06259	0.4
287.02209	0.4
295.04596	1.2
296.05457	0.5
297.06308	1.5
298.98267	0.7
300.99939	0.6
313.05682	5.5
315.01279	0.4
317.03067	1.8
327.07248	1.1
449.07025	0.6
465.10388	2.1
479.08609	0.5
483.11490	5.2
509.03748	0.6
635.12561	100.0
636.12823	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	635.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46736	0.2
57.03445	0.3
59.01387	1.7
67.01898	0.7
69.03471	1.1
69.20500	0.5
69.20911	1.1
70.86860	0.3
71.01393	1.3
73.02951	0.5
75.00874	0.4
76.88462	0.3
78.01112	0.8
79.01902	1.0
81.03468	1.4
82.00610	0.4
83.01394	0.5
85.02962	1.3
89.02460	0.7
92.91781	0.3
95.01398	2.0
97.02958	1.7
98.22573	0.5
101.02469	1.2
106.00646	0.3
107.01401	9.3
111.00898	1.5
113.02458	0.9
121.03030	0.4
123.00898	13.0
124.01679	14.7
125.02464	39.9
126.02809	0.3
127.00397	0.8
136.98825	1.2
137.02477	0.4
139.00407	2.8
140.01169	2.7
141.01964	2.2
145.03064	0.3
148.04079	1.6
149.04697	0.4
150.05676	1.5
151.00378	7.4
153.01923	0.6
160.04062	0.6
161.04829	3.1
166.99849	0.6
168.00671	6.1
168.22278	0.3
169.01440	46.3
170.01813	0.9
174.04306	0.4
174.05658	0.3
175.05171	2.4
177.01955	0.3
177.04059	1.0
181.01476	0.4
181.05058	0.6
190.07571	0.6
191.03607	0.4
193.01448	0.3
193.04996	0.3
202.08868	0.7
203.04659	0.3
211.02473	1.2
216.06754	0.4
223.02695	0.3
232.08499	0.6
233.09348	1.2
237.04094	0.5
244.09845	4.1
245.09529	0.4
246.01846	0.3
247.02486	1.6
247.04703	0.3
253.03546	0.4
271.04666	0.7
288.08679	0.7
305.11475	2.0
313.05688	1.4
329.05203	0.8
338.11502	0.8
396.15619	0.3
442.20111	0.5
465.17758	2.8
466.17746	0.4
468.17734	3.1
469.17877	0.4
472.20782	1.3
481.06488	0.4
482.66107	0.3
483.18765	23.1
484.19165	0.9
538.42639	0.3
567.84772	0.3
591.17865	0.6
605.26398	0.4
635.19836	100.0
636.20166	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	635.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.9
61.98831	0.7
67.01881	0.7
69.03453	1.0
69.09125	3.0
71.01380	1.3
75.00843	0.5
78.90676	0.4
79.01881	1.2
81.03459	1.1
82.88402	0.5
83.84800	0.4
85.02944	1.0
88.80215	0.4
95.01406	1.0
97.02952	1.4
98.22625	0.9
101.02524	0.9
106.00575	0.6
107.01402	7.4
111.00892	1.4
113.02406	0.6
119.03562	0.5
123.00005	0.6
123.00900	12.9
124.01681	17.6
125.02464	36.8
126.02782	0.6
127.00360	0.9
136.98808	1.2
137.02469	0.6
139.00374	2.7
140.01158	2.5
141.01933	2.2
148.04044	0.8
150.05608	0.5
151.00389	6.6
153.01979	0.7
161.04796	1.5
163.37866	0.4
166.62735	0.5
166.99796	0.6
168.00664	5.7
169.01442	40.6
170.01723	0.6
175.05139	1.6
177.04051	1.3
181.05045	0.5
186.17143	0.4
190.02641	0.4
194.90546	0.4
211.02438	0.9
232.08539	0.8
233.09250	0.8
237.04158	0.5
244.09882	2.6
246.01799	0.5
247.02444	2.9
271.04694	1.1
288.08853	0.4
305.11450	1.5
313.05685	0.8
329.05048	1.0
465.17789	2.4
468.17841	1.5
472.21167	0.5
481.06393	0.5
483.18762	22.0
484.19061	1.4
591.17224	1.0
635.19843	100.0
636.20038	8.7
636.29773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.9
61.30626	0.4
63.52013	0.4
67.01900	0.7
67.26676	0.5
69.03473	1.1
69.42189	2.1
69.42535	0.7
71.01393	1.8
79.01881	0.7
81.03485	1.1
82.61401	0.4
83.01422	0.7
85.02979	1.1
85.90266	0.4
89.02435	0.6
95.01402	1.7
97.02995	1.2
98.21851	1.0
99.00904	0.5
101.02444	0.6
107.01408	8.8
107.25406	0.4
111.00890	2.0
113.02484	0.6
123.00903	11.0
124.01677	16.3
125.02466	38.1
126.02836	1.2
127.00374	0.7
129.11853	0.5
136.07645	0.8
136.98833	1.2
139.00351	2.7
140.01170	2.6
141.01927	1.6
148.04077	0.6
151.00386	6.7
153.01953	0.6
166.62000	0.4
166.99861	0.6
168.00661	7.1
169.01447	43.2
170.01784	1.3
171.01875	0.6
171.10141	0.5
175.04033	0.5
183.90494	0.5
207.02879	0.6
211.02609	1.2
215.08395	0.8
237.04121	1.1
271.04510	0.5
285.86710	0.5
295.04605	0.8
313.05688	0.9
371.24335	0.8
396.15814	0.6
402.46530	0.6
449.18036	0.8
465.17636	5.2
472.20654	1.2
483.18814	11.2
484.19562	0.7
572.26324	0.7
635.19794	100.0
636.20178	8.2
659.10590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
60.79625	1.0
61.98827	2.3
65.98366	0.8
65.99831	0.9
69.10384	3.0
69.10789	2.9
72.71932	0.9
82.02989	5.8
94.02993	1.0
96.04549	1.7
96.96014	2.5
107.01437	1.6
108.12614	0.8
112.04054	2.4
113.02499	0.8
120.04549	5.8
121.06586	1.2
123.00845	1.2
124.04134	0.9
125.02461	6.1
129.05612	2.7
132.04520	1.1
136.07697	3.0
138.09270	2.5
145.01060	0.9
146.06081	0.8
147.03369	1.3
147.04585	1.6
148.04054	30.6
149.04805	1.8
150.05615	20.6
151.00386	2.9
154.05115	1.9
160.02824	1.0
160.04057	11.5
161.04845	61.9
162.03212	0.9
162.05641	4.9
162.50334	0.9
164.03554	1.7
169.01492	6.0
172.05482	0.9
173.03577	4.6
173.04858	1.6
173.06096	1.6
174.04353	8.6
174.05641	3.0
175.05139	52.9
175.06366	2.8
176.05946	5.2
178.99841	1.8
186.05550	0.9
187.06432	4.4
188.07182	1.4
189.06740	2.9
190.07489	9.1
191.08234	7.6
192.06783	1.2
200.07170	2.1
200.10838	1.3
201.07889	3.3
201.09302	2.8
202.03825	1.4
202.08855	10.0
203.04681	13.0
203.08342	1.3
204.06688	1.6
215.05922	1.2
215.08237	1.8
216.06793	4.8
216.10323	1.1
217.07494	2.1
217.09727	1.1
219.11423	1.0
226.08670	1.4
228.06770	2.1
229.07393	1.4
231.07664	1.1
232.08566	11.5
233.09325	25.2
233.11595	1.9
243.11488	1.4
244.09837	100.0
245.00983	1.3
245.09352	8.5
259.02307	1.4
263.10352	2.0
286.09534	3.4
287.10394	6.0
287.13730	1.7
288.08798	14.5
289.09515	1.1
295.10837	1.3
304.10834	1.2
305.11469	32.6
306.11911	1.5
312.13583	1.0
315.01459	2.6
338.11465	14.9
339.11929	2.0
370.17767	2.1
381.18063	1.6
396.15622	2.8
400.18625	2.9
424.18649	2.3
425.17218	1.7
426.16803	1.4
434.87256	1.0
442.19846	9.2
454.19882	2.5
455.18359	2.0
467.17365	2.8
468.17789	60.2
469.17889	5.5
472.20908	14.4
483.18719	7.5
563.24939	1.9
605.26288	8.4
606.26178	1.4
635.17926	4.4
635.28583	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	635.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.2
59.01397	3.7
61.98840	1.2
70.75345	1.4
72.07698	0.7
79.55067	0.7
79.67555	0.6
80.57637	0.7
82.02992	6.7
92.71760	0.9
96.04585	2.4
96.43000	0.8
107.01398	1.4
107.05099	0.7
108.04520	1.1
110.06119	0.9
112.04078	1.9
120.04567	4.9
121.06621	1.0
123.00896	1.2
124.01742	1.9
124.07701	0.8
125.02482	5.5
129.05611	3.0
132.04564	1.1
134.06227	1.0
135.04468	0.8
136.07703	5.2
138.05634	1.7
138.09277	4.8
147.03355	1.0
147.04532	1.8
147.05675	1.4
148.04065	37.1
149.04843	1.8
150.05627	21.2
151.00401	0.9
151.87634	0.8
154.05133	2.3
160.02779	1.4
160.04065	11.1
161.04849	57.8
161.07114	1.4
162.03206	0.8
162.05652	5.3
163.02660	0.8
164.03587	2.2
164.07141	0.9
164.10980	0.7
169.01480	6.7
172.05356	0.9
173.03583	3.8
173.04854	1.4
174.04366	7.6
174.05653	3.6
175.05135	52.5
176.03517	0.8
176.05887	5.7
179.08273	1.7
182.72240	0.7
186.05640	1.4
187.06403	3.1
188.07202	1.4
189.06740	3.8
189.10396	1.4
190.07483	11.9
191.08330	6.7
200.07254	1.2
201.07936	3.1
201.09435	1.5
202.03838	1.5
202.07213	0.9
202.08789	10.5
203.04660	11.4
203.08359	2.2
204.06752	1.2
208.09909	1.1
213.06700	1.0
213.10371	0.9
214.10907	0.8
215.06078	1.5
215.08319	3.8
215.11751	1.7
216.06737	6.5
216.10347	1.4
219.11441	0.9
228.06680	2.7
229.07501	2.7
231.07813	2.4
232.08549	8.5
233.09331	24.5
241.09842	3.9
242.08249	1.0
242.10663	1.2
243.11464	2.4
244.09831	100.0
245.09343	7.3
255.11548	1.3
263.10425	1.8
285.08807	1.2
286.09702	2.7
287.10428	7.4
287.13705	1.5
288.08817	14.1
288.11938	1.1
289.09518	2.1
295.10852	1.8
303.09927	1.9
304.10641	1.1
305.11462	38.0
306.11755	1.2
312.13574	1.5
338.11438	16.1
339.11902	1.2
370.17810	2.6
380.19919	0.8
381.18185	1.2
382.18079	0.9
396.15747	2.6
400.18790	2.3
412.19052	1.1
424.18982	3.4
425.17505	0.8
442.19855	15.3
454.20007	3.0
467.17160	2.5
468.17780	60.7
469.17932	5.0
472.20929	15.9
483.18829	2.8
514.03864	0.8
563.25153	1.2
587.25378	1.0
605.26239	15.8
617.26709	2.3
635.17627	3.8
635.28156	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	635.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69727	1.2
59.01362	2.4
69.54556	4.2
82.02971	5.0
96.96019	1.5
98.22591	2.4
112.04028	2.7
120.04554	3.6
125.02446	4.3
129.05623	1.8
136.07643	3.0
138.09227	2.0
146.46646	1.3
148.04063	32.2
149.04768	3.1
150.05605	20.3
154.05087	2.5
160.04034	10.7
161.04839	60.9
162.05511	4.7
164.03471	2.0
169.01422	4.5
171.10291	1.5
173.03554	5.5
173.04836	1.5
174.04341	8.9
174.05646	2.9
175.05136	50.4
175.06398	2.8
176.05862	5.0
179.67172	1.1
186.05618	2.1
187.06377	4.5
189.06677	4.7
190.07455	9.0
190.08864	1.1
191.08240	7.6
200.07208	2.3
200.10619	1.3
201.07890	3.8
201.09421	2.5
202.03799	1.4
202.08852	10.0
203.04601	10.6
203.08266	1.4
215.06020	1.4
216.06572	4.9
217.09944	1.5
228.06725	2.2
229.07463	2.5
231.07716	2.4
232.08546	9.5
233.07011	1.9
233.09325	27.5
243.07843	1.4
243.11414	1.7
244.09850	100.0
245.09471	7.5
260.80542	1.4
263.10300	1.9
286.09549	2.6
287.10495	5.9
288.08774	15.7
289.09528	1.9
295.10968	2.8
305.08142	2.4
305.11487	34.0
312.13205	1.7
338.11630	15.8
370.17593	1.8
396.15961	1.9
400.18552	3.0
424.18774	3.7
426.16422	1.7
434.89749	1.5
442.19958	10.1
467.16879	4.9
468.17789	69.0
469.17984	4.0
472.20877	16.7
605.26147	9.1
606.26538	1.5
635.19366	5.2
635.28638	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	635.3456
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
57.03458	2.9
59.01385	48.8
61.98845	2.0
69.03467	0.8
69.53283	0.9
71.01386	6.8
71.05024	1.2
73.02954	1.9
82.95424	0.6
83.01406	1.4
83.05032	1.3
85.02962	2.1
87.00896	0.8
88.98815	0.5
89.02440	5.1
93.54711	0.4
95.01406	1.0
96.96050	1.0
98.22565	0.8
99.00890	0.8
99.04550	0.5
101.02457	3.9
103.54075	0.4
106.93922	0.5
107.01409	1.1
111.00902	0.8
113.02472	3.6
116.92860	0.9
119.03525	1.4
123.00897	1.7
124.01672	1.6
125.02462	8.1
126.99573	1.1
127.99952	0.4
139.00323	0.5
140.01183	0.4
141.01956	0.6
143.03568	0.5
149.04568	0.8
150.05643	0.5
151.00383	1.2
161.04645	2.1
165.05609	0.5
165.12775	0.4
166.09886	0.7
168.00706	1.2
169.01439	9.4
169.02795	0.7
171.10297	5.7
174.04399	0.6
180.03969	0.4
190.07532	0.5
201.11331	1.4
209.11864	4.0
211.02538	0.5
218.10385	0.5
227.12860	0.7
230.54547	0.4
232.08621	0.6
235.08188	0.6
241.09708	0.7
249.11198	0.5
253.09377	0.5
265.67746	0.5
271.04587	0.6
293.08786	1.1
302.00171	0.5
324.17981	0.4
351.26974	0.5
355.24963	0.6
367.30011	1.3
369.27933	0.5
375.27426	0.9
385.31439	0.6
393.28275	1.0
411.29105	4.4
413.26773	0.8
427.28238	0.7
429.30005	2.0
431.24503	0.6
436.18622	0.7
454.19888	1.3
455.28134	7.1
473.29123	100.0
474.29565	5.1
483.18558	1.9
496.21130	1.1
515.30133	6.3
575.35773	3.4
581.55109	0.4
592.36786	0.5
593.37000	1.2
599.24451	0.6
635.19830	15.4
635.30457	3.1
635.38599	0.9
636.20233	1.5
659.34564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77387	1.6
59.01386	13.4
61.98836	9.5
64.86971	1.5
71.01372	5.5
73.02950	2.1
77.38741	1.6
79.01870	1.8
82.95443	1.9
89.02461	5.7
89.94868	1.4
101.02451	3.5
104.19746	1.7
104.20468	2.2
107.01402	20.1
113.02445	3.0
123.00888	7.4
124.01695	3.6
125.02460	60.3
139.00267	1.9
139.53554	1.8
141.01941	2.0
151.00381	8.9
162.17146	1.3
169.01440	81.7
170.01773	2.9
234.21121	1.6
262.09451	1.7
455.20041	3.0
464.81656	2.0
484.19034	2.8
573.21899	100.0
574.22565	7.9
593.36865	4.8
636.20294	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	636.376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56903	7.2
59.26990	6.3
61.98834	18.5
69.58116	25.7
89.22506	7.6
96.48016	7.3
96.92478	7.6
105.90107	8.1
108.55419	7.0
112.18412	6.7
123.35766	8.5
160.91960	8.8
162.83888	10.8
197.11819	26.0
209.11861	100.0
210.12167	9.7
211.13344	9.3
224.91225	7.3
227.12787	15.3
291.19580	10.0
309.20728	49.3
344.63199	8.2
364.16666	7.8
371.23349	8.7
403.11618	8.5
534.11359	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	636.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02498	5.3
51.37723	4.5
59.01366	6.8
61.98832	21.9
74.75369	5.0
116.25819	5.4
141.90619	5.6
209.11824	100.0
227.12917	12.6
232.87233	6.2
291.19720	8.3
309.20584	26.6
329.57779	5.8
483.80035	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	636.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44756	6.3
57.66787	8.1
59.01387	57.0
61.98836	20.2
64.35154	6.7
69.06738	15.5
69.07143	38.3
71.01386	11.2
80.91693	8.9
82.95409	15.6
89.02438	13.6
96.54853	7.2
101.02455	10.3
107.01396	15.9
111.00907	8.0
123.00893	18.7
124.01684	14.2
125.02491	53.9
151.00343	11.0
152.00816	7.3
168.00661	8.4
169.01424	69.7
170.01863	11.0
195.05750	6.4
458.51901	8.0
474.29761	7.9
484.18890	15.4
573.22284	57.1
574.22058	10.9
576.36285	7.8
636.20123	100.0
636.29932	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	637.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17717	2.7
51.93496	2.5
69.23361	10.3
75.80011	2.5
83.01424	2.8
97.68122	2.4
107.77013	2.4
125.02460	6.5
137.02426	2.9
151.00365	10.4
165.01927	2.9
178.99841	11.6
183.04468	3.0
199.03825	3.2
211.03975	5.5
223.04018	2.7
227.03722	5.9
239.03499	5.8
243.03050	3.5
255.02888	7.2
257.04523	7.7
265.01318	3.0
267.02872	9.8
271.02338	3.1
273.04007	5.3
282.01538	3.5
283.02475	7.1
285.03992	3.1
295.02615	12.5
309.04117	3.4
311.01959	18.8
312.02576	4.7
313.03537	21.6
321.00363	5.5
327.01364	4.5
331.04590	9.1
338.04321	2.7
339.01486	10.5
341.02869	3.1
357.02771	3.9
363.05063	4.6
365.03113	8.8
367.01007	15.3
376.10904	3.0
383.03906	5.6
385.02054	100.0
386.02139	5.1
389.02863	8.5
407.04251	15.2
421.05649	4.4
431.04099	7.1
437.05151	6.4
449.05228	29.0
475.03119	13.8
493.04123	41.3
511.05142	22.8
539.07281	2.9
557.07410	6.5
583.05225	5.5
601.06683	4.9
619.07684	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	637.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27538	0.7
57.03432	1.1
59.01123	1.0
59.01390	14.9
63.02415	1.0
64.85374	0.6
65.00308	1.0
69.17690	2.2
69.18104	2.2
83.01401	2.6
93.28349	0.6
107.01400	2.4
124.01720	0.9
125.02457	5.3
137.02458	0.7
141.01726	4.4
151.00372	6.5
153.02098	0.8
155.05092	0.8
156.99080	3.1
157.06659	0.9
157.08734	1.8
163.00392	1.4
165.01956	1.0
167.05093	0.9
169.01465	0.9
173.06151	0.8
177.01959	2.3
178.99841	8.5
183.03001	1.1
183.04558	1.9
185.02438	0.8
185.06110	0.7
186.03180	0.8
189.01964	0.9
190.99896	2.5
193.01431	2.9
195.04420	0.7
198.03067	0.7
199.04095	2.0
201.05496	0.9
203.03506	1.4
209.02364	0.8
211.04053	5.4
214.02582	1.1
215.03513	1.5
217.01366	0.9
223.04041	1.1
225.01796	0.7
226.02679	0.9
227.03583	4.2
229.05098	1.6
231.02916	1.6
236.02650	0.7
237.01878	2.3
239.03484	5.9
241.05052	2.0
242.02267	2.1
243.02998	2.3
249.05341	0.9
251.03453	1.4
255.03040	5.9
257.04544	4.7
257.06915	0.8
259.02606	1.4
265.01349	1.3
265.05142	0.9
266.02194	1.7
267.03073	9.2
270.01770	1.3
271.02362	1.1
273.03983	2.2
277.05072	1.5
279.02957	1.3
280.03656	1.1
281.01053	1.5
281.04520	2.4
282.01724	1.0
283.02573	6.3
285.04129	3.1
289.05435	0.9
293.00967	1.8
295.02518	12.0
295.05606	1.4
298.01315	1.4
299.01837	1.7
305.04672	2.1
309.00705	1.3
309.04074	3.2
310.01428	0.9
311.02005	15.4
311.05341	0.9
312.02753	3.5
313.03561	24.1
314.03854	1.0
319.02478	1.6
321.00418	2.9
323.02042	2.1
323.05585	1.0
324.02594	1.0
327.01419	2.0
329.03003	1.6
331.04596	4.0
333.03970	2.0
337.03638	2.1
339.01392	7.0
339.04895	1.1
340.02072	1.0
341.03223	1.3
347.05762	1.6
348.99860	2.8
349.03519	1.2
350.00562	1.0
351.04993	1.8
357.02408	4.2
359.05182	1.7
361.03543	2.2
365.02869	6.8
365.06622	0.8
367.00906	14.6
368.01404	1.2
379.04568	1.9
383.04248	3.5
385.02045	100.0
386.02371	2.8
387.05103	1.3
389.03110	7.3
391.04681	2.0
393.06458	1.4
403.04495	2.4
405.06473	1.6
407.04172	12.9
413.02515	1.0
421.05566	2.0
431.04044	9.3
432.05389	0.8
435.03320	0.9
437.04993	6.5
438.06012	0.9
439.06921	2.1
448.98914	1.7
449.05176	27.0
450.05405	1.4
457.02029	1.3
457.26657	0.8
467.06421	2.0
471.07318	2.1
475.03024	11.1
491.05978	1.1
493.04190	36.1
494.04214	2.1
511.05133	10.5
513.08350	2.1
515.06085	1.9
539.06299	0.9
557.07233	5.5
565.04071	1.1
577.27112	12.0
583.05365	2.6
601.06744	1.9
619.06885	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	637.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17741	0.3
59.01375	0.9
59.18374	0.3
65.00330	0.8
68.76926	0.3
71.01401	0.5
71.43498	0.3
73.52353	0.3
89.02455	0.5
96.96018	1.2
107.01388	1.7
108.02177	1.6
114.94869	0.2
121.02946	0.5
124.01670	0.4
125.02460	0.6
127.88831	0.3
131.89859	0.3
135.00932	0.5
135.04518	0.9
148.01697	1.6
151.00388	3.9
163.00421	0.7
164.01152	0.8
167.85689	0.3
169.01450	1.0
178.99887	2.6
190.99919	0.4
192.00735	0.3
196.63419	0.3
199.04074	1.0
201.01932	0.3
203.03549	0.5
211.03990	0.5
215.03554	0.9
216.04300	0.4
223.06154	0.4
226.02769	1.3
227.03572	2.7
229.01442	0.5
231.03189	0.3
243.02995	10.6
244.03621	0.6
246.91495	0.3
254.02184	2.1
255.03000	25.6
256.03381	0.6
271.02493	55.0
272.03067	2.6
273.03989	0.4
299.02002	1.9
299.64337	0.3
300.02765	100.0
300.99979	0.4
301.03351	7.6
348.64975	0.3
475.08765	0.5
487.09033	0.6
496.15369	0.3
505.09521	0.8
595.13086	1.3
637.14136	51.8
638.14240	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	637.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74298	1.4
71.01399	9.3
72.99305	2.5
78.44468	1.6
91.33550	1.5
99.00912	2.1
105.03508	1.7
109.72414	1.5
115.00383	32.1
123.00908	2.2
125.02440	4.8
129.56544	1.4
133.01439	100.0
133.03021	3.7
133.27521	1.4
134.03706	2.5
135.04533	29.6
139.31932	1.7
145.01443	6.2
163.02458	7.3
169.01434	4.1
173.02538	1.6
177.01871	1.8
179.03508	29.5
191.03494	1.8
201.01692	1.7
229.38727	1.6
275.01834	1.9
295.04684	3.9
300.99881	4.6
338.54904	1.8
450.98788	1.6
637.09192	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	637.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90530	0.2
59.01372	1.1
60.72392	0.2
66.13493	0.2
67.24998	0.2
69.43736	0.7
69.44154	0.5
71.01392	0.8
79.95742	3.0
85.02984	0.2
86.50809	0.2
89.02461	0.5
96.96019	100.0
97.95974	0.2
101.02450	0.4
111.00867	0.3
113.02466	0.5
115.21311	0.2
119.03522	0.3
123.00908	0.7
124.01676	0.5
125.02460	0.8
127.51326	0.2
131.13940	0.2
135.04620	0.2
137.06212	0.2
138.03253	0.4
139.00391	0.8
139.04051	0.6
147.04611	0.2
147.27495	0.2
151.00343	0.3
156.00208	0.2
162.03256	0.3
163.03949	0.3
166.02731	0.3
169.01430	0.8
176.01096	0.2
177.05663	0.4
181.05045	0.3
189.01888	0.4
193.05074	0.3
203.03546	0.4
204.04289	0.3
218.05981	0.4
219.02948	0.3
266.98337	0.3
308.99298	0.9
343.08151	0.5
355.08145	0.2
358.10577	1.8
373.12967	3.0
403.10098	0.5
403.14337	0.5
418.12592	0.5
433.15073	10.3
434.15375	0.5
445.14890	0.2
476.16400	0.2
539.21503	2.2
577.16772	0.4
577.28827	0.2
584.65192	0.2
637.18378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68892	0.7
59.01382	11.7
67.01904	0.8
69.03445	1.5
71.01388	4.0
71.43824	1.0
79.01883	0.9
81.03472	1.1
83.05022	1.4
85.02946	1.1
87.00891	1.3
89.02440	1.5
95.01407	2.9
97.02937	1.7
101.02455	2.8
107.01401	8.8
109.02881	0.8
111.00916	1.9
113.02464	2.2
123.00893	10.0
124.01679	14.6
124.02528	1.4
125.02458	48.0
126.02798	0.8
127.00368	0.9
136.98822	1.7
137.02504	0.7
139.00360	1.9
139.04124	1.0
140.01157	3.3
141.01974	1.2
151.00357	5.1
163.11288	1.2
165.01965	1.0
167.03395	0.9
168.00661	8.1
169.01437	62.0
193.01494	1.7
209.11850	31.5
210.12177	1.1
211.02496	18.1
212.02802	0.9
222.58490	0.7
241.03539	0.9
242.34647	0.7
271.04642	13.6
293.56378	0.8
313.05646	4.0
401.22995	1.1
419.03079	0.8
467.19272	1.6
483.07828	5.6
485.20258	4.3
577.37488	0.9
614.47583	1.0
636.31091	1.1
637.21472	100.0
637.31268	5.5
638.21570	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	637.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.3
67.01869	0.9
68.99821	0.5
69.03467	1.2
69.21198	2.9
70.77637	0.5
71.01390	4.4
72.99303	0.6
73.02958	1.0
78.01109	0.6
79.01900	0.8
81.03455	0.9
83.01373	0.9
83.05032	0.8
85.02946	1.9
87.00885	0.8
88.98769	0.6
89.02448	2.3
95.01393	3.1
96.96026	1.5
97.02948	1.8
98.22636	1.0
99.00937	0.5
99.04505	0.9
101.02462	2.7
107.01402	10.2
108.24579	0.5
111.00867	2.9
113.02446	2.0
116.92859	0.8
119.03509	1.2
123.00896	14.0
124.00745	0.6
124.01669	15.0
125.02456	38.7
126.02699	0.5
127.00381	1.0
135.04559	0.8
136.98816	1.0
139.00400	2.9
140.01184	4.3
141.01959	1.9
150.05566	1.0
151.00381	8.1
153.01953	0.9
161.04659	1.0
163.03967	0.6
166.99812	0.7
168.00665	8.2
169.01440	44.2
170.01744	0.8
179.03537	0.6
179.05585	0.6
193.04994	0.5
209.11858	0.8
211.02451	1.3
235.13417	1.6
237.04236	0.7
245.09175	0.6
270.77457	0.5
281.12491	0.8
285.14752	1.0
295.04718	0.6
313.05774	1.2
329.23199	0.5
371.24249	1.1
371.85852	0.6
372.24622	0.7
373.25757	1.5
375.27701	0.5
389.25467	1.2
426.16486	1.2
443.20355	0.5
457.25702	3.1
467.19299	7.1
468.19794	0.6
470.19547	1.0
482.68109	0.5
485.20328	18.4
486.20526	1.5
521.24084	0.9
582.57513	0.6
637.21393	100.0
638.21680	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	637.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	6.2
68.94286	1.3
71.01387	2.8
72.58782	1.1
82.03020	2.3
89.02467	1.5
96.04572	2.8
96.96025	36.4
99.24193	1.2
100.34824	1.0
101.02441	2.5
107.05036	1.3
108.04535	1.1
110.02547	1.2
112.04061	41.3
116.92859	2.6
120.04577	2.1
122.06110	5.5
125.02510	1.8
134.06097	1.5
135.03271	3.0
136.07681	10.6
138.09245	2.7
148.04086	13.3
149.04832	9.7
149.22762	1.2
150.05629	78.0
159.08130	2.8
160.04068	2.9
161.04840	29.1
161.06192	1.7
162.05566	4.4
164.03516	4.7
164.07188	4.1
165.06758	1.7
169.01418	1.8
172.04158	1.2
173.04855	1.9
174.05608	2.9
174.09178	1.5
175.06377	9.2
176.05902	3.3
176.07243	2.3
176.10898	2.3
178.07417	1.3
178.47414	1.1
179.08244	3.5
187.06429	7.0
188.07220	5.7
189.06657	2.2
190.07484	4.7
191.03645	1.3
191.08324	6.4
202.06944	2.3
202.08772	38.2
203.08568	1.5
217.07745	1.3
217.09801	5.4
219.11420	18.9
228.10318	3.1
230.06938	2.0
243.07904	1.3
243.11467	1.6
244.08583	3.3
245.09346	49.9
245.12958	7.0
246.07813	5.5
246.11476	1.6
247.08488	2.2
248.09296	1.3
261.08841	1.3
262.09631	5.1
263.10406	53.0
264.10687	1.2
271.10974	2.2
272.09366	1.1
277.12054	1.2
285.12341	3.2
287.14066	4.2
289.11942	12.6
290.10327	1.3
307.13004	8.7
357.23853	1.3
382.17715	2.1
383.16107	1.3
389.25687	2.3
400.18790	6.0
425.15973	3.0
426.16754	94.1
427.17154	3.0
430.19958	8.7
444.21359	2.1
452.18436	5.4
456.21762	2.7
470.19391	100.0
471.19513	5.3
474.22418	2.5
563.25226	16.1
577.26135	1.5
593.26019	8.6
607.28003	6.0
637.18964	1.9
637.28528	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	637.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.4
69.27078	3.4
69.27472	2.0
71.01394	1.2
77.44428	1.1
82.03010	1.4
89.02464	1.3
96.04552	2.5
96.96006	2.1
98.21803	1.1
101.02407	1.4
107.05029	1.4
108.04525	1.6
110.02473	1.3
112.04060	42.6
112.97856	1.1
115.81281	1.1
116.51896	1.1
120.04527	3.3
122.06129	5.1
124.04061	1.7
130.89565	1.0
135.03249	1.5
135.04514	1.0
136.07693	10.6
138.05612	1.2
138.09238	3.1
145.98027	1.1
146.06073	1.7
148.04071	13.9
149.04848	10.1
150.05615	78.9
152.07152	1.5
159.08183	1.7
160.04071	4.3
161.04823	32.5
162.05611	5.5
163.02765	2.6
164.03549	4.2
164.07187	3.1
165.06738	2.3
173.04805	1.9
174.05609	3.0
174.09158	1.6
175.05061	1.9
175.06351	11.7
176.05876	4.1
176.07242	2.1
176.10791	2.1
178.73901	1.1
179.08273	4.8
186.05676	1.6
187.06404	8.8
188.07176	4.4
189.06689	1.7
190.07510	4.9
191.08273	6.0
200.07120	2.4
201.07986	2.0
202.08751	47.6
203.08406	1.4
204.10471	1.2
215.22481	1.2
217.07660	1.8
217.09833	6.3
218.08334	1.7
219.11382	19.9
228.10272	3.8
230.06903	3.6
243.11276	1.9
244.08504	2.6
245.06740	1.7
245.09308	48.0
245.12929	7.5
246.07617	6.2
247.08426	3.4
262.09570	4.9
263.10373	58.9
271.10883	3.6
285.12430	3.2
287.14011	4.4
289.08441	2.9
289.11868	15.7
292.08411	1.2
307.12967	10.3
321.94452	1.2
382.17627	2.9
389.25397	4.5
400.18896	7.1
425.15805	2.7
426.16721	100.0
427.17053	4.9
430.19730	9.7
444.21408	1.6
452.18347	5.0
456.21796	1.2
470.19315	95.4
471.19653	4.8
474.22327	3.3
563.25122	15.3
564.25153	1.9
593.25696	6.3
607.27667	4.9
619.27673	1.9
637.28845	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	637.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.4
69.27078	3.4
69.27472	2.0
71.01394	1.2
77.44428	1.1
82.03010	1.4
89.02464	1.3
96.04552	2.5
96.96006	2.1
98.21803	1.1
101.02407	1.4
107.05029	1.4
108.04525	1.6
110.02473	1.3
112.04060	42.6
112.97856	1.1
115.81281	1.1
116.51896	1.1
120.04527	3.3
122.06129	5.1
124.04061	1.7
130.89565	1.0
135.03249	1.5
135.04514	1.0
136.07693	10.6
138.05612	1.2
138.09238	3.1
145.98027	1.1
146.06073	1.7
148.04071	13.9
149.04848	10.1
150.05615	78.9
152.07152	1.5
159.08183	1.7
160.04071	4.3
161.04823	32.5
162.05611	5.5
163.02765	2.6
164.03549	4.2
164.07187	3.1
165.06738	2.3
173.04805	1.9
174.05609	3.0
174.09158	1.6
175.05061	1.9
175.06351	11.7
176.05876	4.1
176.07242	2.1
176.10791	2.1
178.73901	1.1
179.08273	4.8
186.05676	1.6
187.06404	8.8
188.07176	4.4
189.06689	1.7
190.07510	4.9
191.08273	6.0
200.07120	2.4
201.07986	2.0
202.08751	47.6
203.08406	1.4
204.10471	1.2
215.22481	1.2
217.07660	1.8
217.09833	6.3
218.08334	1.7
219.11382	19.9
228.10272	3.8
230.06903	3.6
243.11276	1.9
244.08504	2.6
245.06740	1.7
245.09308	48.0
245.12929	7.5
246.07617	6.2
247.08426	3.4
262.09570	4.9
263.10373	58.9
271.10883	3.6
285.12430	3.2
287.14011	4.4
289.08441	2.9
289.11868	15.7
292.08411	1.2
307.12967	10.3
321.94452	1.2
382.17627	2.9
389.25397	4.5
400.18896	7.1
425.15805	2.7
426.16721	100.0
427.17053	4.9
430.19730	9.7
444.21408	1.6
452.18347	5.0
456.21796	1.2
470.19315	95.4
471.19653	4.8
474.22327	3.3
563.25122	15.3
564.25153	1.9
593.25696	6.3
607.27667	4.9
619.27673	1.9
637.28845	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	637.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.1
57.03454	0.2
57.44841	0.1
59.01384	2.5
69.03461	0.1
71.01388	1.6
73.02946	0.4
77.28960	0.1
79.05540	0.2
80.02686	1.0
81.03468	1.2
83.01401	0.3
83.05035	4.3
85.02961	0.5
87.00884	0.3
87.98865	0.1
89.02461	0.9
91.08948	0.1
93.03435	0.1
93.53173	0.1
93.86523	0.1
95.01388	0.1
95.05068	0.6
97.02929	0.2
97.06599	0.3
98.21903	0.3
99.00894	0.1
101.02449	1.2
106.04277	0.2
109.06600	0.3
111.08192	0.1
112.38933	0.1
113.02460	0.7
119.03539	0.2
125.02455	0.3
125.06094	0.4
125.09731	0.6
127.68423	0.1
135.08179	0.6
143.03528	0.1
145.05116	0.2
147.11832	0.1
161.04604	0.5
161.09814	0.1
163.11311	3.4
165.12866	1.7
169.01413	0.2
171.10284	0.4
173.09741	0.1
179.05617	0.2
181.12376	0.5
185.11862	0.2
185.44031	0.1
191.10799	0.9
203.14401	0.1
204.71461	0.1
209.11847	100.0
210.12183	2.7
211.13379	0.2
221.15421	0.1
231.13921	0.2
233.92488	0.1
235.08253	0.9
247.13312	0.2
249.15018	0.8
252.35983	0.1
253.09314	3.1
321.21851	0.1
339.23209	0.3
357.24353	0.1
383.22354	0.7
401.23303	2.1
402.23868	0.3
419.24445	1.6
445.20792	1.0
612.40460	0.1
619.31226	0.3
637.32397	5.2
638.32947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73170	0.9
57.03440	2.0
59.01383	17.0
61.98819	4.3
64.77026	0.9
65.03972	2.1
69.03450	2.1
71.01385	11.1
72.99317	1.0
73.02933	2.7
78.95867	0.9
83.01400	1.1
83.05026	1.1
85.02969	3.6
85.23168	0.9
85.80336	0.9
87.00893	4.2
89.02450	4.6
91.05550	2.1
93.03431	1.4
95.01357	0.9
97.06590	2.4
101.02434	7.5
102.70018	0.9
103.97050	0.9
105.07092	0.9
109.06612	2.7
113.02462	3.8
115.05533	1.6
119.03477	1.3
123.08214	1.7
123.20805	0.9
125.02470	1.4
125.09736	8.9
135.04518	0.9
135.08133	1.6
145.05028	1.9
161.04558	2.0
163.11273	1.4
171.10287	4.1
185.11804	3.6
187.09676	1.4
187.14925	4.3
191.10796	1.5
191.80251	0.9
201.12933	1.3
205.12347	1.4
207.10376	1.1
209.11850	17.0
211.13341	0.9
213.12773	4.5
221.15443	1.4
224.26746	0.9
231.13889	12.0
233.11806	2.3
235.08199	3.3
248.57510	0.9
249.14961	2.0
253.09087	1.6
261.14966	2.1
329.24820	2.1
339.23196	3.4
361.21439	0.9
365.21371	1.5
373.23712	2.8
383.22336	13.8
391.25101	1.9
401.23340	14.6
419.24506	5.7
609.32709	1.5
619.31256	100.0
620.31714	6.4
637.32239	24.2
638.32977	1.3
642.95013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36354	4.4
56.20752	3.6
59.01383	68.8
59.67883	4.3
59.86269	3.8
62.94429	3.9
67.68406	4.2
71.01389	56.6
72.77817	4.3
74.04094	3.9
85.02975	5.0
86.38080	3.8
86.93703	3.8
89.02453	100.0
98.21802	9.8
101.02432	12.1
112.83603	3.8
113.02479	9.4
116.92858	14.4
119.03523	4.6
125.02429	11.4
131.03477	17.7
149.04562	24.1
151.00388	7.3
153.01962	4.4
159.60391	4.0
169.01405	6.7
177.05424	4.7
178.02808	4.4
178.99884	9.0
276.47800	5.1
320.27365	4.8
340.56720	4.4
481.31006	4.5
638.32733	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	638.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14644	0.9
61.98835	100.0
69.12975	3.4
69.13377	1.9
70.23786	0.8
78.99403	0.8
81.62186	0.8
114.07508	0.8
136.46744	0.9
177.91339	1.0
295.22690	1.5
346.97559	1.1
400.23355	0.9
423.22003	0.9
461.50882	1.0
541.59601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28524	0.7
52.65315	0.6
61.98835	100.0
70.98730	0.9
83.77984	0.6
93.56886	0.7
111.28824	0.6
170.10287	0.8
170.75175	0.7
219.29031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19268	14.2
53.43938	13.6
58.55268	14.2
59.01376	50.2
61.98829	54.0
63.76759	13.1
69.13451	100.0
69.91425	12.0
89.02478	17.9
99.04624	13.7
125.02466	18.6
129.66655	17.0
130.42825	13.6
149.02441	17.1
150.03291	36.5
165.05545	29.3
195.06645	20.2
367.11740	15.2
581.20020	27.1
591.14954	19.8
595.38397	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
69.03461	1.4
69.09564	2.6
71.01375	0.6
71.11297	0.4
81.03475	1.1
83.01421	0.5
83.81973	0.4
89.02414	0.4
93.03489	1.1
95.01404	1.1
96.96014	1.6
97.02959	1.5
106.55902	0.4
107.01405	6.8
111.04549	1.5
123.00902	2.1
124.01675	1.6
125.02460	56.6
126.02820	1.3
135.04553	0.9
145.01476	1.0
145.02936	0.6
150.60336	0.4
155.03474	0.5
161.02492	0.6
163.02548	0.6
168.00653	0.8
169.01439	100.0
170.01820	1.1
173.04578	0.8
175.02551	0.5
179.03418	0.7
183.19604	0.4
211.02522	0.8
218.99484	0.5
275.02112	0.9
300.99866	1.6
313.05609	1.1
322.78308	0.6
469.09964	2.9
487.10800	1.7
563.94238	0.4
621.11401	0.8
639.11810	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	639.1573
Annotation	Patuletin-3-rutinoside
Peak:m/z	Relative Intensity
57.03438	1.1
59.01384	9.4
65.00322	0.9
69.35274	4.3
85.02995	0.9
87.00891	1.0
88.98838	1.4
89.02450	4.6
94.19489	0.8
96.96011	1.4
101.02434	2.6
102.20167	0.9
107.01421	1.2
110.00092	2.7
113.02451	2.0
114.80606	1.1
119.03505	2.7
123.00875	2.2
124.01733	0.9
125.02438	3.9
136.98732	1.4
139.00322	4.8
139.04008	2.5
149.02467	7.4
149.99590	1.7
161.02475	1.0
164.98289	5.4
165.99065	5.5
169.01416	2.7
171.04576	2.8
173.02470	1.4
175.00365	6.2
177.99080	3.5
178.99892	3.5
179.05724	1.1
181.01405	2.5
187.04012	2.7
189.01962	3.4
198.03319	1.0
199.04015	2.2
201.01973	1.1
203.03549	2.3
209.00928	3.5
215.03551	4.3
231.03059	3.8
241.01491	1.5
243.03011	6.0
245.00865	1.4
256.37671	0.9
259.02341	4.4
270.01749	2.8
271.02484	9.6
287.01999	30.5
288.02487	2.0
315.01498	100.0
315.20898	0.9
316.02176	24.5
317.02582	1.3
317.06015	2.1
317.56235	1.3
330.03833	41.1
331.04538	17.8
361.20355	1.2
595.42035	1.1
596.41620	1.2
639.15698	94.3
639.33221	2.5
640.16290	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	639.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.2
69.12737	9.6
71.01394	7.1
71.60468	1.8
72.99325	7.6
85.02975	2.2
89.02457	5.6
95.01394	2.3
96.42078	1.6
96.96008	11.7
98.22625	3.5
101.02447	5.6
107.01392	2.3
111.00942	2.4
113.02461	4.8
119.05030	5.7
123.00898	11.7
124.01691	6.4
125.02469	10.6
135.04642	1.9
147.04539	100.0
151.00391	5.9
165.05588	93.3
166.05919	2.6
168.00679	4.5
169.01462	14.3
189.02061	1.7
197.11873	2.7
207.06644	54.8
208.06833	2.1
229.01427	1.9
275.01797	2.3
300.02725	3.0
300.99850	5.2
313.05640	2.4
315.05099	4.6
387.13000	79.9
477.10730	2.4
519.28186	4.1
531.37195	2.0
546.87573	1.7
621.14502	2.0
639.25439	2.3
639.34442	2.7
647.49451	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	639.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
71.01406	0.2
78.27417	0.1
79.95744	3.0
85.02940	0.1
89.02453	0.1
95.01381	0.2
96.96019	100.0
101.02560	0.1
121.02937	0.1
123.00910	0.4
124.01706	0.2
125.02439	0.5
135.04477	0.2
136.05237	0.1
150.03247	0.3
151.00336	0.2
162.03206	0.2
163.04018	0.2
165.05653	0.2
168.00542	0.1
169.01442	0.7
177.05634	0.2
181.05080	0.3
181.23621	0.1
195.06645	0.3
204.36783	0.1
243.91911	0.1
300.99945	0.4
308.99347	0.4
343.11899	0.5
357.13306	0.1
391.13852	0.7
407.56131	0.1
421.73703	0.1
455.16327	0.1
541.22888	2.3
541.31226	0.1
593.24500	0.1
639.18280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16765	1.6
57.03433	3.1
57.84907	1.5
59.01384	43.4
61.85422	1.4
61.98832	13.6
65.03960	2.4
69.10197	2.7
69.10598	6.7
71.01389	26.3
73.02943	7.0
78.47810	1.5
78.95899	2.7
81.03469	2.7
83.01380	3.9
83.05035	8.3
85.02974	11.4
85.06582	2.9
87.00875	6.9
89.02461	14.9
91.05511	1.6
95.01382	2.1
95.05010	1.9
96.26298	1.5
97.06583	5.0
99.00891	2.9
101.02457	17.4
105.79633	1.7
109.06570	1.7
111.08157	6.9
113.02466	10.6
119.03493	5.6
119.05029	2.1
123.08150	3.5
125.02419	3.0
125.09733	14.0
126.90492	2.8
131.14517	1.6
135.08189	1.8
137.09734	2.6
143.03490	2.6
145.05101	3.8
161.04524	5.6
163.11334	3.0
169.01459	3.3
171.10291	63.4
179.05614	6.1
183.13858	4.8
185.11813	2.6
187.09778	2.5
187.14816	1.5
197.11705	2.0
205.15952	4.5
209.11833	26.3
211.13431	28.7
213.14871	2.1
215.14445	12.5
227.12868	5.6
231.13889	2.9
233.15485	38.2
235.08293	9.9
249.14954	33.0
253.09419	7.4
300.99911	1.9
313.25455	1.8
331.26398	5.2
341.24857	4.7
357.24533	2.1
359.25760	3.2
367.22577	4.6
375.25354	7.8
385.23788	29.7
393.26434	2.3
403.24911	53.5
404.25363	2.0
421.26047	14.1
485.23660	3.2
590.32343	1.8
611.34637	3.9
621.32794	100.0
622.33472	9.2
626.87592	1.7
639.33777	51.6
640.33972	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	640.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75859	0.4
56.49837	0.3
57.84737	0.3
59.01377	0.5
61.84559	0.4
61.98835	100.0
69.12876	0.7
69.13279	2.4
71.28373	0.4
85.75092	0.4
90.73137	0.3
123.91402	0.3
127.24294	0.4
156.05357	0.4
159.76566	0.4
287.46042	0.5
368.64209	0.4
515.00653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86110	0.2
61.98837	100.0
72.68671	0.3
73.73853	0.2
90.49493	0.2
108.94796	0.2
153.89079	0.2
268.37039	0.2
300.55563	0.3
300.99899	0.2
405.30569	0.3
572.89954	0.3
610.96448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1364
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
65.00356	0.6
65.36940	0.4
96.96040	1.1
109.02979	1.1
110.00161	1.4
111.00934	0.7
113.27712	0.4
120.99377	0.5
121.03007	0.4
123.00940	1.5
123.04546	0.5
125.02480	1.8
137.02478	0.5
137.99626	0.8
138.03262	0.4
139.00366	3.0
141.01947	0.5
149.02505	0.7
151.00381	0.8
151.04094	0.5
161.02473	0.7
164.98219	0.8
165.99057	3.2
166.99829	2.5
169.01494	2.1
171.04555	1.2
175.00429	0.5
175.04024	0.4
177.02022	0.7
178.99893	5.3
187.04086	1.6
188.04947	0.5
189.01981	0.9
190.28009	0.5
191.03571	0.8
194.99405	1.8
197.02652	0.6
198.03320	1.2
199.04010	2.2
201.01967	1.4
202.02837	0.5
203.03607	0.6
205.01338	0.8
208.96959	0.5
215.03534	2.6
218.02371	0.4
219.02962	0.5
226.02739	0.7
227.03578	1.7
231.03021	1.5
232.03732	0.6
241.01491	0.9
242.02203	3.4
243.02939	5.0
244.03801	1.2
245.00804	0.5
249.03932	0.8
257.01022	0.6
258.01807	1.4
259.02438	3.8
269.00787	0.8
270.01709	6.3
271.02490	23.7
272.02982	0.7
275.02164	0.7
287.02002	31.2
288.02777	2.9
299.01855	1.0
300.99963	1.5
315.01520	11.6
316.02258	48.9
317.02948	8.8
359.04288	0.5
360.70667	0.5
418.52176	0.5
478.08044	0.5
479.08350	100.0
480.08780	2.3
605.11688	0.8
641.13654	19.6
642.14026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.1
61.98836	36.4
71.01392	7.7
71.42376	2.2
73.02956	2.8
73.93134	1.7
79.95761	2.5
81.03449	2.7
82.95429	4.6
83.05035	4.2
85.02964	4.0
87.00910	3.0
89.02455	4.7
95.05016	2.0
96.96021	53.7
96.96970	3.6
97.02944	6.5
101.02453	6.9
107.05039	2.8
108.71210	1.8
109.06596	23.3
113.02470	5.2
119.03458	2.1
121.06611	2.2
125.02489	3.0
125.09740	3.4
135.08121	2.2
146.70070	2.3
161.04555	3.0
161.09746	2.9
163.11308	12.9
169.12387	11.4
171.10248	5.6
179.10777	3.0
181.12419	3.7
183.13962	4.4
189.46346	1.7
195.10100	1.8
197.11847	100.0
198.12126	3.1
207.10289	60.9
207.13397	2.2
209.11815	8.9
210.12273	2.8
211.13416	36.4
211.64073	1.9
212.13678	2.7
223.13376	3.7
225.11353	42.6
227.12839	3.4
227.36613	1.9
231.94939	1.8
235.08238	5.0
253.09311	11.1
279.07925	2.8
293.09256	3.6
301.00000	2.1
325.21762	2.9
359.22510	3.1
369.20630	7.7
377.23135	3.0
387.21814	11.6
405.22598	6.7
433.20905	2.6
443.19171	6.1
461.20135	11.7
471.15329	3.0
475.11652	2.0
565.25488	2.1
595.31384	2.4
605.29883	2.8
610.23083	2.3
623.30951	29.8
624.30688	2.6
641.31927	43.1
642.32452	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	641.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24963	0.8
59.01391	11.7
61.98837	9.5
67.00008	0.8
69.03458	1.7
70.44521	1.4
70.91474	0.9
71.01382	8.6
73.02954	3.0
80.02682	1.6
81.03463	1.6
82.95409	3.6
83.05016	2.6
85.02951	2.2
87.00893	1.4
89.02472	4.9
90.45982	0.9
91.93805	0.8
95.05061	1.2
97.02961	5.4
97.06585	1.0
99.00853	1.5
101.02448	4.9
109.06602	22.1
110.03722	2.0
113.02436	3.0
119.03537	1.3
121.06634	1.2
125.09679	1.3
135.08141	2.9
145.05132	1.3
153.12859	1.3
158.03770	0.8
161.04607	2.3
161.09708	1.6
163.11301	12.7
169.12395	7.8
171.10349	1.3
179.05505	1.0
179.10757	2.0
181.12398	2.9
183.13963	2.0
185.11841	2.8
189.09222	1.2
197.11850	100.0
198.12230	3.2
205.21263	1.0
207.10287	56.8
208.10583	1.6
209.11848	2.6
211.13412	27.3
225.11339	25.6
227.12936	1.0
235.08305	3.8
235.13469	1.3
249.15016	1.2
253.09285	9.1
299.14856	1.1
315.23645	0.9
359.22137	3.6
369.20688	4.3
377.23380	2.9
387.21707	10.6
405.22629	4.0
433.20950	2.7
443.19580	2.3
461.20340	8.3
595.31293	3.5
623.30762	21.3
624.32013	1.5
641.21704	1.9
641.31763	25.4
642.32104	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03446	1.9
58.00596	0.5
59.01385	34.2
61.98837	0.9
69.03454	0.9
71.01387	23.1
71.05078	0.4
73.02955	5.3
75.00844	0.4
81.03470	0.4
81.62129	0.4
81.62862	0.3
83.01389	1.4
83.05020	1.1
85.02958	10.3
87.00873	1.5
87.04530	3.5
89.02455	19.9
89.31136	0.4
95.01392	1.8
96.96008	1.3
97.02982	0.5
99.00922	1.8
99.04538	0.7
101.02454	12.7
107.05029	0.4
109.06619	0.5
113.01715	0.6
113.02464	9.7
113.06100	2.6
119.03519	9.0
123.00893	0.5
124.01660	1.2
125.02482	2.9
127.03973	0.4
131.03519	1.0
135.04546	0.7
135.08165	0.8
143.03546	2.4
149.04564	0.6
159.02991	1.3
159.10268	0.7
161.04558	7.1
163.04089	0.4
165.01976	1.3
169.01462	2.7
179.05655	3.8
180.04265	0.8
183.86095	0.4
185.36337	0.4
187.11238	0.5
187.75844	0.4
189.12854	0.5
191.10791	1.3
195.06592	0.7
199.11385	0.5
209.09749	0.4
211.11305	1.6
225.13008	0.7
227.14424	13.0
227.16670	0.7
229.12299	0.7
239.14433	0.7
241.12402	0.7
243.13942	1.6
245.15511	3.9
246.15794	0.4
249.15001	0.9
255.13908	1.2
257.15527	1.1
259.13306	0.5
261.14978	6.2
263.16537	100.0
264.16904	3.7
273.15079	0.4
275.16492	2.8
277.12936	12.8
279.15958	1.5
289.18146	3.1
300.99988	0.6
301.06381	1.5
302.15219	0.8
317.17569	1.6
319.19113	1.2
321.15533	1.2
331.05896	0.5
343.18884	0.6
355.13846	0.4
359.18793	0.5
361.19043	1.3
363.21786	7.0
364.22220	0.6
377.19025	0.6
443.27997	0.6
461.29025	1.4
479.30261	1.7
525.15985	0.5
533.20105	0.9
603.13770	0.9
623.34662	1.3
641.35498	60.9
642.35791	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	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03453	2.1
58.00597	0.9
59.01385	76.8
66.52879	0.4
69.03447	0.8
71.01389	39.5
71.05026	0.6
72.99330	1.2
73.02953	3.1
76.10070	0.4
83.01381	1.9
83.05038	4.1
85.02961	14.5
87.00893	1.5
89.02454	37.8
95.01405	3.1
97.02950	0.6
97.06578	0.8
99.00929	0.8
101.02457	22.7
107.05045	1.0
111.78282	0.4
113.02461	14.3
115.07681	0.6
119.02659	0.8
119.03516	16.3
125.02451	0.7
125.06082	1.0
131.03529	1.5
143.03523	1.6
149.04568	1.3
149.06073	0.4
151.07716	0.5
159.03000	0.7
159.10298	4.6
161.04601	3.3
169.01454	0.5
179.05621	5.0
211.25111	0.5
228.77945	0.5
233.15442	0.8
250.12131	0.6
267.13904	0.7
273.14999	0.6
283.17072	1.0
285.14969	0.5
301.18127	4.1
319.19141	4.2
321.15613	10.7
322.15643	0.5
386.38821	0.5
391.21155	0.5
443.28058	0.8
461.29092	3.4
479.30264	6.8
576.58051	0.5
623.34344	6.0
624.34833	0.6
641.35480	100.0
642.35760	9.1
642.45917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
56.17630	0.4
57.03453	4.0
58.00601	1.5
59.01385	100.0
60.01714	0.4
71.01388	47.3
71.05026	3.0
71.41129	0.4
72.01704	0.5
72.99315	1.0
73.02975	1.9
81.03463	0.5
83.01402	1.6
83.05036	25.5
83.68221	0.4
85.02956	10.0
85.54285	0.3
87.00890	2.6
87.08145	0.6
89.02452	62.0
95.01394	2.9
97.02956	0.4
99.00872	0.6
99.04511	0.5
101.02455	26.6
101.06080	0.4
113.02459	19.5
115.07654	2.9
119.03516	26.8
119.73423	0.4
123.08170	1.6
125.02476	1.4
129.09268	0.6
131.03520	2.8
141.09251	0.6
143.03519	5.3
149.02489	0.4
149.04599	2.4
159.10277	17.1
161.04572	6.3
161.08203	0.4
169.01437	0.6
179.05627	19.7
231.13986	0.5
235.08234	0.8
253.48021	0.4
255.14014	0.7
267.14017	0.8
271.89371	0.4
283.17004	1.2
301.18127	3.8
317.17572	1.7
319.19174	2.9
417.26477	0.8
427.25208	0.6
443.28098	0.7
445.25665	0.4
461.29129	13.0
462.29568	1.4
479.30179	14.3
480.30545	1.3
481.24481	1.8
623.34387	2.3
641.35486	86.9
642.35858	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	641.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
61.98828	0.3
69.03465	0.2
71.01386	1.9
71.44888	0.2
71.55515	0.2
73.02937	0.4
85.02968	0.4
87.00883	0.3
89.02451	1.0
98.21857	0.4
101.02435	1.3
105.64960	0.3
113.02459	0.8
119.03522	0.4
125.02486	0.3
155.88055	0.2
161.04565	0.8
167.14401	0.5
179.05626	0.3
183.13913	6.1
193.12373	1.5
197.11844	0.5
199.09830	0.5
207.10336	0.4
209.11873	0.6
211.13412	100.0
212.11819	0.4
212.13750	3.8
223.13464	0.4
235.08228	1.8
253.09311	3.5
275.50473	0.2
338.84354	0.3
341.72293	0.3
387.25470	0.4
405.26688	0.3
429.21518	0.3
447.22357	5.1
448.22705	0.4
490.78909	0.2
623.33875	1.0
641.32214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17493	0.3
59.68962	0.2
61.98835	100.0
68.77200	0.3
68.99832	0.7
69.42863	1.1
79.13470	0.2
80.76804	0.3
90.55958	0.3
91.98172	0.3
108.02173	0.7
123.00925	0.4
123.04559	0.8
124.40657	0.3
161.02467	0.5
162.03265	0.9
163.03996	0.4
177.05602	0.9
178.02771	0.9
190.06325	0.3
193.05080	3.7
218.05861	0.4
321.07751	0.8
325.07309	0.4
336.10168	0.6
354.10980	0.4
355.11908	0.9
367.12054	1.0
549.17798	0.3
579.18817	6.1
617.49677	0.3
640.30481	0.3
645.42194	0.3
650.67688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48124	0.5
61.98835	100.0
63.26775	0.5
64.67156	0.4
66.01817	0.5
101.71415	0.5
145.58809	0.5
164.55080	0.5
179.41466	0.5
220.95970	0.5
421.77036	0.5
486.89160	0.7
517.30756	0.7
532.88916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46756	0.5
59.01382	100.0
60.01745	0.7
60.82108	0.5
116.79272	0.6
120.03779	0.8
132.98207	1.6
132.99135	1.0
157.03564	5.2
159.01494	2.2
174.99254	25.4
176.98116	15.9
201.02559	55.3
202.02765	2.7
217.00304	99.1
218.00597	2.2
270.38718	0.6
276.98264	1.0
332.98471	0.7
343.03766	14.4
344.03979	1.5
359.01477	79.6
360.01575	3.0
501.02768	6.0
522.52106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95676	0.3
55.01893	0.4
59.01383	2.0
69.03469	0.6
71.01395	1.9
71.05028	2.9
76.96764	0.4
77.03969	0.7
83.01398	1.1
85.02975	0.5
89.02457	1.0
93.03472	1.4
95.01402	0.9
95.05058	1.8
95.47009	0.3
96.96052	0.4
97.02962	10.3
97.03590	0.7
101.02437	0.5
108.02138	0.4
109.02959	6.9
113.02446	0.4
116.92924	0.3
121.02972	5.1
123.00915	0.4
125.02488	1.8
126.02780	0.4
137.02460	19.3
139.04027	62.9
140.04352	1.2
153.01953	17.1
163.00362	0.5
163.04071	1.0
164.01093	0.3
165.01945	100.0
166.02290	2.2
167.03499	0.9
169.01430	1.3
181.05226	0.4
183.02982	5.5
183.04523	0.4
195.02997	0.9
207.02950	0.5
209.04626	0.7
210.04939	0.5
211.05029	0.4
239.05635	0.9
240.05856	0.4
241.06035	0.4
255.05299	0.6
297.06174	0.5
298.98441	0.4
300.99942	1.3
301.03284	0.8
315.07260	2.3
327.07291	3.7
345.08292	82.3
346.08682	3.0
397.13297	0.4
403.09473	0.4
414.63281	0.4
428.23462	0.3
433.10797	0.5
463.08853	1.9
481.09860	4.9
482.10266	0.5
639.34277	0.4
643.18689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
65.00338	0.6
67.01894	1.6
67.72757	0.3
69.03471	1.1
71.01386	0.7
78.01128	0.6
79.01898	1.5
81.03477	0.6
82.00619	0.3
83.01404	0.5
85.25758	0.2
86.00128	0.4
89.02463	0.3
95.01396	5.6
97.02985	0.9
107.01394	1.9
109.02988	0.5
110.00125	0.5
111.00880	1.9
123.00899	25.6
124.01683	13.5
125.02466	12.6
127.00388	0.7
134.91093	0.2
136.98859	1.1
137.02486	0.6
138.03252	0.6
139.00397	4.1
139.04028	1.6
140.01189	2.7
141.01955	3.6
151.00401	2.4
151.04005	0.3
152.01112	0.4
153.01968	0.4
153.05632	0.3
165.01968	0.3
166.99872	8.9
168.00674	2.9
169.01436	8.6
181.01419	0.3
183.03024	1.8
195.03011	1.4
213.61411	0.3
265.08722	0.6
265.93402	0.3
267.06702	0.3
267.10220	0.3
267.22992	0.3
268.07349	0.7
283.09882	0.3
293.08282	0.9
294.09088	0.7
295.09821	0.9
301.05328	0.3
309.11230	0.4
311.09311	1.8
312.09918	0.7
325.11261	0.4
326.11642	3.6
327.12418	5.8
335.05811	0.3
341.13977	0.9
370.10596	0.7
450.12973	0.4
460.11874	0.8
461.12103	0.3
463.10492	3.6
474.10013	0.3
477.12061	1.0
478.12720	19.6
479.13113	1.6
493.15091	100.0
494.15424	7.3
643.20374	22.5
643.36066	0.4
644.20593	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	643.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43957	0.4
57.88288	0.4
59.01379	4.4
67.01853	0.5
69.03464	0.5
69.08432	3.1
71.01382	1.9
81.03482	0.6
83.48740	0.4
85.02948	0.9
89.02453	2.4
91.05526	0.4
95.01402	0.6
97.02980	0.6
98.22634	0.8
107.01398	6.6
111.00863	1.1
113.02504	1.0
123.00893	6.8
124.01671	8.9
125.02459	33.1
136.98778	0.7
137.02483	0.6
139.00392	1.8
139.04002	0.8
140.01189	1.5
141.01978	1.3
150.03241	1.0
151.00385	5.4
153.02063	0.4
164.62415	0.5
165.01855	1.1
165.05637	0.7
167.03516	2.4
168.00659	6.7
169.01437	58.0
170.01721	1.1
182.02139	0.4
183.02969	3.4
193.01450	2.4
195.06615	0.5
211.02487	11.8
223.02565	1.3
223.21092	0.5
224.04768	0.7
225.08896	0.5
238.06306	0.7
239.10675	0.8
239.98399	0.5
240.53513	0.4
241.03580	7.1
241.08685	0.8
251.06978	0.5
255.10271	1.8
266.05655	0.7
269.11905	0.6
270.12604	0.7
283.04797	0.6
283.09760	8.5
295.09775	1.3
296.10654	0.6
298.12204	1.0
301.05655	100.0
302.05927	2.9
311.09262	19.3
312.09650	1.5
315.07159	0.9
325.10803	0.6
326.11603	12.4
327.12070	0.7
341.13947	2.9
347.51627	0.5
524.21417	0.5
643.20355	35.2
644.20837	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	643.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08564	0.5
59.01391	5.1
60.01684	0.4
61.98826	1.6
64.73031	0.5
67.01891	1.3
68.08456	0.5
68.99820	0.5
69.03465	1.0
71.01395	4.4
72.99329	0.9
73.02959	0.8
76.30592	0.4
78.01102	0.5
79.01877	1.0
81.03473	0.6
82.95390	0.5
83.01385	0.7
85.02964	1.7
87.00883	1.3
88.98826	0.4
89.02450	1.7
95.01406	2.5
96.96021	1.8
97.03003	1.3
99.00880	0.5
101.02438	0.9
107.01408	11.8
109.02946	1.8
111.00922	2.1
113.02466	1.3
116.92847	0.9
121.02997	0.5
122.03771	0.5
123.00903	16.0
123.04539	0.9
124.01687	11.9
125.02467	36.5
127.00355	1.2
135.04538	1.4
136.98795	1.4
137.02448	2.3
138.03218	0.6
139.00352	3.1
139.03999	0.9
140.01212	3.7
140.02150	0.8
141.01953	1.6
142.97176	0.4
149.02414	0.8
150.03273	2.5
151.00392	9.2
151.04010	1.0
153.01871	0.6
154.99966	0.4
159.04544	0.7
161.02464	0.7
165.01944	5.3
165.05559	2.6
166.02675	1.4
166.99895	1.3
167.03520	0.7
168.00670	5.5
169.01443	39.5
173.06039	0.6
177.01886	0.7
179.03500	1.9
180.04279	2.3
181.05086	1.2
183.03024	2.0
191.07101	0.5
195.03070	0.8
195.06627	5.9
210.05394	0.5
211.02472	0.8
217.01433	0.6
219.02872	0.4
223.02492	3.4
225.07648	2.7
241.05144	0.7
246.01566	0.7
247.02544	0.7
267.05029	0.5
281.08200	0.5
283.04568	4.5
295.09750	0.8
300.99774	1.6
301.05597	1.1
311.09305	0.6
313.10794	0.8
341.13831	0.5
344.12814	0.6
345.13306	0.5
359.15186	1.0
417.15668	1.8
478.13699	0.5
503.16461	0.5
558.78247	0.5
595.21790	2.2
599.14545	1.1
643.20349	100.0
644.20673	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	643.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88305	1.4
56.47418	1.7
59.01389	10.0
60.65628	1.4
61.98834	3.6
63.49818	1.4
69.49184	7.0
71.01391	5.1
74.36029	1.3
78.30230	1.4
85.02942	2.6
87.00912	2.9
89.02445	4.6
91.09370	1.5
92.62895	1.4
95.01395	2.8
98.21875	3.2
101.02447	2.6
107.01398	9.7
107.87926	1.6
111.00887	4.2
113.02448	4.2
121.02982	2.6
122.03745	3.6
123.00906	8.5
124.01672	13.1
125.02465	42.6
135.04549	2.5
136.98772	2.1
137.02472	2.4
139.00414	1.7
139.04015	2.4
140.01166	2.9
141.01874	2.0
149.02406	1.8
151.00410	10.0
151.07643	2.6
165.05559	2.3
167.03494	5.5
168.00684	8.9
169.01451	56.6
170.01624	2.0
175.49802	1.5
183.02982	5.2
193.01413	3.4
200.94609	1.6
211.02550	22.3
229.71825	1.6
241.03545	1.8
265.04150	1.5
283.09726	10.4
295.09711	2.6
301.05673	100.0
302.06009	3.4
311.09323	18.2
326.11603	11.9
341.13840	4.9
347.47174	1.6
481.31812	16.1
583.25336	2.1
643.20367	72.0
644.20715	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	643.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.8
67.01893	1.3
69.03448	1.2
71.01392	5.2
72.99308	1.3
73.13902	0.7
78.01113	0.7
79.01886	2.0
81.03461	1.0
85.02920	0.8
86.31404	0.7
87.00877	1.1
89.02444	1.5
95.01381	3.8
96.96053	1.5
97.02943	1.6
99.00868	0.9
101.02470	1.3
107.01408	16.2
109.02962	1.4
110.00188	0.9
111.00872	2.7
111.65066	0.9
113.02460	2.3
121.02927	0.7
123.00900	19.9
124.00857	1.2
124.01686	18.4
125.02465	52.7
125.81261	0.7
127.00425	1.1
135.04559	1.1
136.98804	2.7
137.02438	1.9
139.00391	4.2
139.03986	1.2
140.01198	4.4
141.01967	3.4
149.02461	1.3
150.03201	2.1
151.00397	12.2
151.03967	1.3
153.02026	0.8
154.99908	0.8
165.01967	5.1
165.05550	1.8
166.02690	1.0
166.50429	0.7
166.99890	2.0
167.03484	0.7
168.00664	6.6
169.01448	53.2
170.01779	1.6
179.03502	1.7
180.04240	2.4
181.05112	1.2
183.02997	3.0
187.07707	1.1
191.07098	0.8
195.03084	1.2
195.06642	4.4
205.04865	0.8
211.02469	1.7
223.02496	5.0
225.07715	1.6
241.05115	1.1
246.01738	1.3
247.02582	1.0
275.01407	0.8
281.07919	0.9
283.04691	6.1
295.09769	1.8
300.99896	0.9
311.09186	0.8
313.10681	1.1
344.12604	1.9
345.13382	1.1
359.15015	2.1
491.61462	0.8
595.22089	1.2
643.20343	100.0
644.20551	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.7
59.01386	24.5
64.78100	0.6
69.03455	0.6
71.01389	15.4
73.02972	0.6
85.02946	3.2
85.65458	0.6
87.00903	1.0
88.98830	0.6
89.02460	26.1
89.18272	0.6
95.01394	0.8
101.02460	8.9
107.01402	0.7
113.02470	6.9
115.70130	0.5
119.03520	10.1
121.02974	100.0
122.03341	1.3
123.00940	0.8
124.01662	0.9
125.02477	3.3
131.03525	1.5
143.03494	2.9
149.04578	1.4
161.04616	2.2
168.34819	0.6
169.01442	3.4
178.43271	0.6
179.05630	6.8
179.38632	0.5
183.62021	0.6
222.15813	0.7
250.63820	0.6
255.10309	1.3
283.09857	3.0
296.10498	0.6
311.09317	10.9
326.11612	8.3
327.11777	0.8
341.13953	15.8
342.14340	0.8
643.20251	4.9
643.36963	3.4
644.21429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98834	6.7
65.00305	0.7
67.01889	1.4
67.22388	0.7
69.64246	2.2
82.19165	0.8
95.01406	2.0
98.21917	0.7
100.11516	0.6
103.43355	0.6
107.05063	0.8
109.02983	4.0
112.43584	0.7
123.00891	7.4
124.01707	3.4
125.02452	3.8
135.04521	0.9
136.01636	2.0
137.02460	25.7
139.00398	1.1
139.04070	0.7
140.01183	0.8
141.01962	1.2
149.02452	1.3
150.03227	2.8
151.00368	5.4
151.04028	3.5
151.35281	0.7
152.01106	1.3
152.04776	2.1
160.76430	0.8
160.87135	0.7
162.03239	1.2
164.01129	2.0
165.01953	100.0
165.05638	3.0
166.02727	16.8
166.99916	2.3
167.03461	2.4
168.75410	0.7
169.01466	2.4
175.04010	1.2
177.01898	0.9
177.05562	0.9
178.02776	1.0
179.03510	21.2
179.07082	0.8
180.04309	55.4
181.05089	18.8
182.05411	1.0
187.04054	2.0
190.06479	0.9
193.05096	1.7
194.05847	3.7
195.02995	2.7
195.06656	64.9
196.07005	2.6
205.05107	3.3
207.06506	1.1
210.05353	10.7
220.07359	1.9
222.38391	0.7
225.07707	49.3
226.08177	1.3
235.09975	0.8
269.04727	0.8
281.04517	1.1
287.15350	0.7
289.90494	0.8
299.98886	1.0
327.12405	1.1
343.11911	1.0
359.11362	2.6
387.10382	1.4
387.14874	6.4
389.92740	0.7
402.13248	1.4
403.14005	1.7
417.15567	21.0
418.16180	1.2
478.12637	5.7
493.15070	23.1
494.15524	2.1
565.19843	2.3
595.21906	34.2
596.22638	2.3
643.20270	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	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33970	0.5
61.98836	26.9
67.01915	1.4
69.17866	2.8
70.97150	0.5
97.02848	0.5
108.02104	0.5
109.02976	2.1
123.00896	1.0
125.02422	1.5
136.01691	0.7
137.02461	19.4
149.02486	0.9
150.03127	0.7
151.00371	3.4
151.04024	0.8
163.04002	0.7
164.01175	1.1
165.01945	100.0
166.02728	8.7
167.03477	0.8
169.01418	1.7
179.03513	13.8
180.04305	57.3
181.05080	11.2
182.05388	0.6
187.03976	0.7
194.05861	2.4
195.03044	3.5
195.06642	83.6
196.06985	2.4
205.05177	0.9
210.05370	12.8
220.07414	0.8
221.08086	0.6
225.07704	74.8
226.08060	2.0
232.20607	0.6
251.98119	0.6
271.68399	0.7
295.23932	0.5
307.21973	0.6
387.11017	1.1
387.14813	6.0
403.13965	0.9
417.15601	11.0
418.15411	0.6
481.35425	0.7
595.21704	1.9
643.33350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
57.82076	1.3
59.01383	83.9
61.98831	3.5
66.78019	1.2
69.03447	5.6
70.26688	1.2
70.65263	1.6
71.01384	5.7
71.05023	2.6
73.02947	2.9
75.00842	1.1
85.02994	1.6
89.02486	1.4
94.61857	1.1
96.96041	2.1
98.22574	1.4
101.02464	2.4
103.04543	1.5
113.02477	1.6
119.03516	1.5
121.02946	6.0
122.03730	3.9
123.00919	3.1
125.02444	4.8
137.02492	1.3
139.11319	19.3
146.16429	1.3
151.00414	2.1
161.04558	6.8
166.06349	25.4
169.01404	4.3
181.08710	33.9
182.09064	1.6
183.10277	100.0
184.10565	1.6
235.08182	4.5
238.21707	1.3
339.18884	1.3
347.18542	3.8
347.32248	1.3
417.17603	5.5
430.90100	1.5
440.84415	1.3
481.31708	6.3
643.20532	4.5
643.30243	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	643.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.9
61.98831	3.6
69.03453	2.0
71.01379	7.4
73.02961	1.3
73.78604	0.6
81.03443	1.1
82.45187	0.7
82.95401	1.2
83.01386	1.7
83.05038	3.8
84.02197	1.5
85.02953	1.8
87.00887	1.0
87.44288	0.7
89.02451	5.1
95.01374	1.3
96.96017	1.3
101.02433	5.9
107.01392	2.0
109.06625	0.7
110.73801	0.6
110.99612	0.7
111.00954	0.8
113.02442	3.4
119.03510	1.8
119.29661	0.7
123.00890	5.9
124.01725	1.7
125.02470	6.2
125.06042	0.9
125.09727	0.8
145.05093	0.8
151.00327	1.5
151.37772	0.7
151.51297	0.7
153.12871	2.0
157.08708	8.0
161.04601	2.1
163.11314	4.1
165.12859	1.8
169.01463	7.8
169.12358	5.2
171.10262	3.6
181.12337	1.2
183.10266	5.9
183.13892	1.1
187.09689	1.0
191.10811	0.8
197.11842	100.0
198.12172	1.8
199.09804	2.1
199.13353	2.7
201.11366	0.9
209.11845	81.8
210.12222	2.0
211.02505	2.0
213.14972	1.6
214.74310	0.7
225.11386	1.0
227.12921	23.3
228.13249	1.3
235.08211	3.8
235.13463	1.7
253.09299	7.9
271.04477	1.6
275.01840	1.2
293.21201	2.1
300.99826	3.2
311.22214	2.2
329.23340	3.7
371.22382	0.9
389.23254	1.7
417.24774	0.9
433.20654	3.2
445.21036	1.6
463.21777	2.0
491.28668	6.5
567.25751	1.0
607.30951	1.5
611.24707	0.9
625.31146	0.8
643.29620	41.1
644.29846	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04536	18.5
58.76870	14.2
59.01389	28.5
60.05707	16.9
61.98840	26.4
63.47174	16.2
71.01357	18.7
84.84122	15.7
86.50489	18.0
118.87215	16.9
130.75281	18.9
160.84221	40.1
164.22763	17.6
195.44810	16.8
197.11868	42.5
199.09741	24.7
209.11807	83.6
211.13477	100.0
212.13811	56.0
213.14108	24.8
225.11432	21.0
227.13071	21.0
271.54178	16.5
389.19189	21.0
643.30829	51.7
652.55585	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3266
Annotation	Ervafoline
Peak:m/z	Relative Intensity
51.79989	2.0
51.94972	1.8
59.01377	6.8
61.98827	6.4
66.40919	2.1
71.01372	5.1
83.05021	2.6
85.02951	2.4
87.00896	2.4
89.02427	3.1
97.06590	7.4
98.22646	6.6
101.02431	3.7
104.38083	2.0
110.87955	2.0
113.02453	2.6
116.92883	5.9
125.09722	2.1
151.11267	11.7
161.04588	2.1
163.11322	2.2
169.12358	72.2
169.13800	3.7
171.10304	5.3
183.13930	4.5
197.11865	16.5
199.13472	2.6
207.10274	4.3
209.11870	23.8
211.13403	40.6
212.13806	3.7
213.11288	10.9
225.11369	4.0
227.12915	10.2
235.08209	2.7
253.09322	5.1
267.37518	2.3
305.17520	3.8
319.64954	2.2
449.20663	9.9
491.26678	3.7
509.27686	3.5
510.28262	5.7
589.33942	4.7
643.33319	100.0
644.33899	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	643.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
59.01381	3.2
61.99426	0.3
69.03485	0.4
70.75227	0.4
70.75556	0.3
71.01392	2.3
73.02950	0.7
73.38972	0.2
80.02674	0.8
81.03446	0.9
83.01412	0.3
83.05026	3.5
84.02173	0.4
85.02969	0.7
87.00861	0.6
89.02454	2.2
89.92718	0.3
95.05032	0.4
97.02968	0.3
97.06573	0.3
101.02445	2.2
113.02432	0.8
119.03483	0.5
133.05005	0.3
135.11775	0.3
145.05099	0.6
151.11346	0.3
151.65834	0.3
151.67633	0.3
153.09273	0.3
153.12862	1.1
161.04585	0.7
163.11278	1.9
165.12788	1.3
169.12358	6.3
171.10289	1.2
179.10747	0.6
191.10780	0.6
197.11839	100.0
198.12184	2.8
209.11841	66.2
210.12222	2.6
227.10635	0.5
227.12912	9.3
228.13293	0.3
235.08197	3.1
235.13472	1.1
253.09299	8.3
254.09525	0.3
316.54184	0.3
389.23468	0.7
433.20789	3.5
445.20978	0.8
607.30261	0.6
625.32715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93903	0.1
61.98834	100.0
65.98616	0.1
69.15003	0.8
87.78260	0.1
98.21878	0.3
115.16293	0.1
116.20203	0.1
122.27579	0.1
133.27063	0.1
343.40970	0.1
477.85251	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56590	0.1
57.73314	0.1
59.01385	0.1
61.98836	100.0
69.06533	0.8
112.89088	0.1
121.68125	0.1
252.98712	0.1
371.28906	0.1
378.01233	0.1
428.50397	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	645.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
69.34002	8.0
71.01385	3.6
87.00880	2.1
89.02458	1.6
95.01386	3.5
96.95947	1.6
101.02419	2.4
105.94123	1.6
107.01397	8.8
113.02438	2.9
116.92866	2.0
123.00909	8.8
124.01672	7.5
125.02457	50.3
126.19033	1.6
140.01186	1.7
141.01913	2.0
151.00372	6.3
161.02483	1.8
161.04523	2.1
166.00078	1.6
168.00691	7.6
169.01437	69.3
193.01491	2.1
211.02469	15.2
241.03514	1.6
253.03534	2.4
271.04626	22.7
288.44330	1.9
295.04730	3.0
313.05573	6.7
331.06714	2.1
373.07611	2.1
475.10867	4.9
483.07843	4.3
493.12003	10.3
516.22736	1.8
521.64990	1.5
645.13116	100.0
646.13568	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	645.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26210	0.5
59.01369	2.1
67.01888	1.1
69.03455	1.8
69.21073	2.2
71.01381	2.6
72.99320	0.5
75.00871	1.2
79.01911	0.9
81.03465	1.8
83.01389	1.2
85.02930	0.7
87.00916	0.6
89.02474	1.1
95.01380	2.4
96.96015	0.7
97.02950	1.9
98.22637	0.9
99.00884	0.6
101.02443	1.9
107.01397	9.2
108.51463	0.5
109.02969	0.6
111.00883	1.8
113.02502	1.2
121.02998	0.8
123.00905	11.4
124.01671	16.1
125.02463	65.6
126.02776	1.3
131.86803	0.5
135.04546	1.7
136.98854	1.3
137.02438	0.8
139.00360	3.1
139.04066	0.5
140.01210	2.6
140.14038	0.5
141.01930	1.5
146.03740	4.6
147.04536	1.1
149.02393	0.7
151.00412	5.3
151.03990	0.6
153.01955	1.1
157.65968	0.5
161.02385	1.1
161.06093	2.0
164.04837	3.9
165.01953	1.0
165.05602	1.0
166.99902	1.5
168.00652	9.1
168.01979	0.9
169.01440	68.8
170.01761	1.2
175.04042	0.8
179.03500	1.5
179.07126	4.4
183.03044	1.1
191.03459	0.8
193.01379	1.2
211.02547	2.4
221.04559	1.5
222.14517	0.6
249.82657	0.6
253.03488	0.6
269.70108	0.5
295.04752	2.7
297.06122	0.7
301.00034	0.8
313.05707	8.9
332.61063	0.6
463.14664	0.6
465.06747	5.0
475.12659	3.1
493.13513	4.3
542.50293	0.6
601.11627	1.1
645.14673	100.0
646.14984	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	645.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25031	1.1
52.72391	1.2
54.73116	1.3
56.96959	1.1
58.00568	1.3
59.01382	14.0
61.98846	3.0
70.54411	2.4
71.01392	7.6
73.02966	6.5
81.03445	2.0
82.95426	1.8
83.01414	2.1
83.05042	5.9
84.02145	2.1
85.02943	2.2
87.00890	2.0
89.02455	4.7
90.25460	1.1
97.59026	1.3
101.02460	7.6
109.06639	1.6
111.66296	1.3
113.02450	3.6
119.03524	1.2
123.00919	2.1
125.02451	2.4
125.06094	4.0
125.09729	4.4
127.11331	3.3
135.08194	1.8
137.09770	2.9
153.09264	1.8
155.10773	3.5
161.04556	2.6
163.11282	6.7
164.42371	1.4
165.12820	2.5
169.01443	1.7
171.10287	22.5
181.08713	6.3
187.09705	2.1
191.10727	1.4
197.11839	5.5
198.12154	4.0
199.09766	68.7
199.13474	2.3
200.10114	2.6
201.11333	5.6
207.10342	2.9
209.11847	100.0
210.12157	6.4
213.15059	1.6
225.11230	2.0
227.12915	18.7
228.13107	1.6
235.08255	6.5
253.09346	12.6
278.10507	1.3
303.74469	1.3
320.92331	1.2
373.20160	2.7
391.21228	3.7
417.18155	1.8
435.18704	13.9
609.29370	6.3
627.30194	8.4
628.30566	1.7
645.32159	8.6
646.30841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3271
Annotation	Chondramide A
Peak:m/z	Relative Intensity
52.64590	0.2
59.01386	2.7
60.85480	0.3
61.98824	1.2
65.00339	0.4
67.01881	0.5
68.99811	0.3
71.01379	1.8
73.02966	0.5
78.01109	0.8
79.01902	0.5
82.00610	0.8
83.01381	0.6
85.02954	0.7
85.06591	0.4
86.00079	0.3
86.91019	0.3
87.00875	0.6
87.63796	0.2
88.98830	0.3
89.02447	1.0
95.01383	0.9
96.96023	0.8
97.02970	0.9
97.06602	1.9
98.22675	0.6
101.02447	0.8
107.01401	4.4
109.02979	0.3
110.00062	0.5
111.00891	1.9
113.02477	0.6
119.03488	0.3
123.00902	6.3
123.04500	0.3
124.01678	12.7
125.02460	20.9
126.02768	0.4
127.00379	1.0
134.03580	0.3
135.04552	0.4
135.08125	0.3
136.98840	1.5
137.02435	0.7
139.00395	2.2
140.01196	3.4
141.01906	1.0
142.54094	0.3
150.03281	0.3
151.00394	2.9
153.01999	0.3
158.46049	0.2
161.04587	0.5
165.01947	2.7
168.00647	3.0
169.01443	20.9
170.01707	0.7
175.03963	0.5
177.01959	0.3
179.03511	0.4
179.05643	0.4
180.04311	2.0
181.05061	0.7
181.15538	0.2
190.06415	0.3
195.06657	2.3
199.09688	0.4
201.11255	0.6
202.90486	0.3
209.11832	0.8
210.05304	0.4
213.14911	0.3
217.01344	0.4
225.07715	2.4
225.11212	0.4
241.03717	0.3
245.00943	0.3
273.00479	0.3
276.07599	0.4
299.99100	0.6
300.99933	1.3
317.10107	0.6
336.10275	0.8
364.40540	0.3
389.15936	0.7
432.07016	0.3
462.00879	0.3
462.50058	0.3
471.20224	1.3
609.18091	0.6
609.36322	0.5
627.31299	0.4
645.32825	100.0
646.33209	8.9
648.23267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84845	15.6
60.67074	14.1
61.98827	28.7
69.27883	72.6
78.41602	15.4
84.11150	13.6
98.54259	14.1
109.06566	15.9
129.33607	14.1
163.11336	17.6
180.80956	15.0
193.14128	18.3
197.11833	22.2
207.10344	27.7
209.11810	100.0
225.11475	21.5
289.18103	33.7
291.19702	14.7
291.47018	15.7
325.66290	15.2
473.28857	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	645.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57380	19.0
57.56624	21.4
58.29089	19.6
59.01389	29.3
61.98833	35.4
78.95929	35.3
92.11686	22.9
97.74249	19.5
181.08899	20.5
197.11852	75.5
207.10289	71.5
209.11833	58.3
225.11264	43.3
245.23332	19.8
291.19385	31.1
295.77704	23.5
309.20688	77.7
373.70255	19.6
398.99652	22.4
471.34995	100.0
585.56158	23.9
634.02173	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	645.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.98832	8.2
69.14101	5.0
71.01387	2.0
83.05065	0.8
104.18874	0.7
121.02997	0.9
123.00907	1.4
125.02451	4.2
145.83989	0.7
148.00644	0.7
169.01472	6.2
217.43291	0.9
313.05762	2.6
486.29388	0.9
591.35211	2.7
645.34137	100.0
646.34448	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	645.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76298	3.2
59.01373	14.3
61.73302	3.1
61.98835	55.3
71.01380	6.0
76.38869	3.1
82.95393	4.5
85.02966	3.6
89.02449	4.5
98.21914	8.5
113.02459	4.9
115.96129	3.5
117.41255	3.0
120.74694	3.9
123.00889	6.8
124.01622	3.4
125.02483	10.1
151.00426	5.0
165.01915	3.1
169.01427	7.2
200.02533	3.1
289.03314	3.1
295.80634	3.4
432.44110	3.7
480.13162	5.9
494.15280	3.7
495.15564	11.9
531.67542	3.9
609.27612	9.8
609.36462	37.7
645.22467	5.9
645.34045	100.0
646.34857	6.1
662.97009	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.3
61.98828	21.9
63.98151	5.2
69.25960	31.4
82.48376	4.7
85.17094	4.8
88.98804	14.3
89.02460	6.9
95.01421	6.2
96.37987	5.0
96.96034	9.1
103.42238	4.9
107.01408	7.9
113.02466	5.3
116.92917	4.9
123.00931	15.9
124.01717	10.7
125.02474	36.8
139.00400	6.1
140.01199	5.6
151.00345	8.4
165.05629	6.6
168.00613	11.6
169.01427	46.3
170.01790	5.7
211.02411	6.9
216.55690	4.7
245.00737	7.1
273.00278	6.3
298.98422	8.1
300.99884	10.3
313.05630	8.4
402.07684	5.5
645.20959	36.3
645.33148	100.0
646.33929	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	645.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61914	0.8
59.01386	9.5
61.98832	2.4
69.18113	2.4
69.18524	2.9
69.85114	0.8
71.01375	2.8
73.02933	2.5
73.03351	0.9
85.30770	0.9
87.00859	1.4
89.02445	3.0
98.22597	2.1
101.02449	3.0
101.07729	0.8
111.00900	1.0
113.02473	0.9
123.00926	1.0
125.02422	3.2
138.01964	1.6
169.01408	2.8
211.86623	1.1
231.26231	1.0
318.80301	1.0
332.19653	0.9
539.94647	1.1
609.36407	2.6
645.34119	100.0
646.34332	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	645.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50343	0.6
56.98957	0.6
59.01395	5.8
59.54760	0.7
61.98837	3.9
68.26402	0.7
71.01399	4.1
73.02983	1.0
74.23586	0.6
80.02699	1.0
81.03500	1.0
82.95435	1.0
83.05067	2.8
84.02155	0.7
84.72548	0.7
85.03003	1.1
86.33994	0.6
87.00868	0.6
89.02492	2.3
95.01447	0.9
96.96053	1.4
101.02463	3.9
107.14670	0.9
113.02481	2.1
116.92873	4.6
125.02460	1.2
125.09773	1.1
127.11311	1.4
140.72389	0.7
141.60710	0.9
161.04602	1.7
163.11317	3.6
165.12854	1.4
169.01472	1.4
169.12424	1.6
171.10281	2.5
181.12401	4.8
197.11848	5.3
198.12294	1.9
199.09789	3.4
199.13426	100.0
200.13869	3.4
201.11349	1.4
209.11853	99.9
210.12126	4.0
225.06079	0.8
225.11255	1.3
227.12915	12.4
228.13191	1.4
235.08202	2.9
235.13300	0.8
253.09323	13.6
301.00180	0.9
385.81802	0.8
391.24826	2.8
435.22638	0.9
445.20663	1.3
645.32629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05401	0.2
59.01380	0.3
61.98834	100.0
98.22610	0.5
107.01441	0.5
111.00925	0.3
117.48270	0.2
123.00919	0.6
124.01675	1.0
125.02484	2.5
137.02429	0.3
139.00389	0.3
139.04037	0.6
139.65106	0.2
151.00372	0.4
153.02039	0.3
162.02498	0.2
165.01953	1.3
169.01440	1.9
170.01762	0.3
180.04312	0.6
183.03145	0.2
195.06691	0.8
196.06960	0.3
225.07713	0.7
226.08084	0.3
313.41870	0.2
369.78860	0.2
402.58282	0.2
511.18106	0.5
573.44257	0.2
645.32928	3.5
646.33282	7.8
647.33612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
61.98835	100.0
90.73380	0.2
102.75882	0.2
102.91296	0.3
107.01490	0.3
122.85641	0.3
125.02464	0.5
156.91307	0.2
169.01456	0.8
212.59567	0.3
244.91359	0.2
510.47827	0.3
646.33813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65227	0.4
61.98838	100.0
67.76743	0.3
82.95422	0.5
94.98772	0.4
98.22698	1.1
110.85776	0.4
148.15837	0.4
458.55637	0.4
463.14227	0.5
544.31287	0.5
573.48737	0.5
646.33746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55576	0.3
58.58997	0.3
61.98836	100.0
63.99265	0.5
68.48527	0.3
69.91010	0.9
94.28246	0.4
165.01923	0.5
195.06685	0.4
225.45328	0.3
269.83896	0.3
333.71890	0.4
511.10104	0.3
584.81543	0.4
646.34406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
71.01396	5.7
75.54230	1.7
77.03950	2.3
83.01394	3.8
85.02956	2.2
87.20202	1.9
105.03470	3.4
107.01396	4.4
107.04974	3.1
109.02929	2.6
113.02471	3.0
117.03451	3.6
119.05050	6.2
123.00902	8.9
124.01667	3.5
125.02460	21.2
126.02769	2.7
129.03528	2.1
133.01457	2.6
133.02959	5.5
135.04527	15.1
137.02443	3.0
140.01341	1.9
145.01926	2.0
145.02972	13.7
147.00957	1.9
147.04530	7.4
149.02386	2.4
151.00320	2.5
160.01724	2.6
161.02451	22.2
162.03181	3.7
163.00363	6.0
163.04012	27.8
164.01146	4.3
165.01970	3.7
169.01453	22.2
170.01852	2.7
173.02466	10.7
174.03235	2.4
175.04103	3.0
177.02025	3.0
179.03595	8.9
187.03957	2.1
188.01175	4.3
189.01955	26.6
190.02716	8.5
191.03525	46.0
193.01460	3.4
199.66589	2.2
201.01897	10.8
203.03607	2.1
211.02345	2.4
214.99834	2.9
216.00546	4.4
217.01437	27.6
219.03047	9.5
229.01349	3.6
231.02968	2.1
233.00938	3.4
235.02512	8.9
242.99289	2.4
244.00133	4.2
245.00867	15.3
255.10345	4.2
259.02515	2.3
259.99576	6.7
261.00418	44.9
262.01010	2.8
271.04648	3.1
272.05106	1.9
275.01822	4.1
287.99072	4.3
288.99963	5.9
300.99890	6.1
343.07758	2.3
363.03522	7.4
405.04501	5.1
423.05695	7.0
433.04102	12.9
485.08273	3.4
523.00562	2.1
575.06805	100.0
576.06982	4.8
587.11621	3.2
603.06299	34.4
647.14319	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
71.01396	5.7
75.54230	1.7
77.03950	2.3
83.01394	3.8
85.02956	2.2
87.20202	1.9
105.03470	3.4
107.01396	4.4
107.04974	3.1
109.02929	2.6
113.02471	3.0
117.03451	3.6
119.05050	6.2
123.00902	8.9
124.01667	3.5
125.02460	21.2
126.02769	2.7
129.03528	2.1
133.01457	2.6
133.02959	5.5
135.04527	15.1
137.02443	3.0
140.01341	1.9
145.01926	2.0
145.02972	13.7
147.00957	1.9
147.04530	7.4
149.02386	2.4
151.00320	2.5
160.01724	2.6
161.02451	22.2
162.03181	3.7
163.00363	6.0
163.04012	27.8
164.01146	4.3
165.01970	3.7
169.01453	22.2
170.01852	2.7
173.02466	10.7
174.03235	2.4
175.04103	3.0
177.02025	3.0
179.03595	8.9
187.03957	2.1
188.01175	4.3
189.01955	26.6
190.02716	8.5
191.03525	46.0
193.01460	3.4
199.66589	2.2
201.01897	10.8
203.03607	2.1
211.02345	2.4
214.99834	2.9
216.00546	4.4
217.01437	27.6
219.03047	9.5
229.01349	3.6
231.02968	2.1
233.00938	3.4
235.02512	8.9
242.99289	2.4
244.00133	4.2
245.00867	15.3
255.10345	4.2
259.02515	2.3
259.99576	6.7
261.00418	44.9
262.01010	2.8
271.04648	3.1
272.05106	1.9
275.01822	4.1
287.99072	4.3
288.99963	5.9
300.99890	6.1
343.07758	2.3
363.03522	7.4
405.04501	5.1
423.05695	7.0
433.04102	12.9
485.08273	3.4
523.00562	2.1
575.06805	100.0
576.06982	4.8
587.11621	3.2
603.06299	34.4
647.14319	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03964	2.1
69.03438	2.0
69.65477	4.4
69.65809	1.8
71.01392	2.2
78.90167	1.3
81.03463	1.8
85.02941	1.9
91.05526	2.1
93.03455	3.0
94.44511	1.6
95.01405	2.0
101.02423	2.3
105.03475	2.7
107.01408	8.3
107.05025	1.9
113.02432	3.5
117.03487	2.7
119.05067	7.8
121.03010	1.8
123.00949	2.7
124.01697	2.1
125.02472	25.8
133.02927	5.2
135.04533	16.4
137.02454	5.7
145.02983	10.6
147.04553	12.0
149.02461	2.3
151.04036	1.6
161.02454	16.0
163.00407	6.0
163.04022	43.3
164.01157	1.9
165.01930	5.7
165.05591	2.3
169.01427	27.6
171.17459	1.7
173.02504	8.2
177.01924	2.9
179.03612	2.2
189.01938	17.3
190.02748	8.0
191.03520	100.0
192.03841	3.2
207.02971	2.7
209.00899	6.4
209.04564	7.2
211.02431	1.8
217.01427	13.3
219.02983	4.7
231.03001	1.9
235.02493	70.6
236.02774	2.6
243.03001	1.7
245.00955	2.7
247.02496	2.0
261.00443	40.1
262.00763	2.8
263.01996	4.1
275.01962	2.2
279.01514	3.6
300.99936	6.1
301.03235	2.3
361.05701	14.0
363.03516	2.0
391.03134	3.4
405.04648	14.6
423.05569	3.1
451.05307	2.0
526.67175	1.8
531.07672	3.6
575.06836	90.7
576.07306	6.6
603.06201	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	647.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99628	1.3
55.57024	1.6
59.01372	1.7
61.98851	1.7
69.18881	9.3
71.01358	1.5
85.02968	1.4
91.05539	1.8
93.03467	2.0
95.01434	3.1
98.22684	2.8
103.02792	1.6
105.03466	4.4
107.01373	8.7
107.05032	3.1
113.02464	2.0
117.03474	3.2
119.05023	6.6
123.00873	3.3
125.02460	31.1
130.80614	1.3
133.02986	6.6
135.04535	15.3
137.02478	6.2
145.02992	10.8
147.04506	14.4
149.02486	2.4
151.00438	1.9
155.81578	1.6
161.02480	15.3
162.03145	1.8
163.00385	4.5
163.04012	37.2
164.01118	1.7
165.01926	5.7
165.05585	3.8
169.01430	29.8
173.02411	10.6
175.04024	1.8
179.03496	3.2
185.44333	1.7
188.01100	1.6
189.01964	17.2
190.02788	8.3
191.03514	99.2
192.03822	1.7
193.01498	2.1
201.02017	2.1
207.02995	4.0
209.00914	4.3
209.04552	5.6
211.02631	1.6
217.01466	13.1
219.02946	5.9
221.10350	1.5
223.02466	1.7
228.47571	1.5
229.01366	1.7
231.03011	2.9
233.00963	3.4
235.02483	65.3
245.00960	3.8
259.02682	1.5
259.99475	1.6
261.00418	40.9
263.01978	3.4
275.02045	1.6
279.01569	3.1
289.00150	2.4
300.99893	8.2
361.05774	11.6
363.03772	2.5
379.06445	2.0
405.04492	10.4
423.05771	4.1
451.05219	3.3
474.97079	1.9
531.07642	1.7
575.06812	100.0
576.07147	6.2
603.06335	5.6
675.54608	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10441	0.5
57.03458	0.5
58.71215	0.5
59.01388	1.0
60.97798	0.5
69.03461	0.6
69.28149	2.8
71.01386	1.0
75.23750	0.5
95.01415	0.8
95.55109	0.6
96.96027	0.7
97.01891	0.5
101.02486	0.5
101.47275	0.5
112.34422	0.4
123.00879	2.9
125.02480	1.8
133.03008	0.8
135.04552	0.6
145.02986	2.0
147.04532	2.3
147.58746	0.5
157.03001	1.7
159.04500	1.4
161.02477	0.9
163.04050	1.9
165.02097	0.6
169.01456	1.5
173.02483	2.5
175.04019	2.7
177.01935	0.7
179.03615	0.5
183.10294	0.6
185.02454	4.6
189.01944	0.9
190.02657	1.2
191.03484	2.6
201.01935	4.5
203.03513	6.3
205.01416	0.6
213.01967	1.9
214.02678	0.5
217.01385	1.1
219.03006	1.4
228.00618	0.6
229.01419	13.8
230.02026	0.8
231.02966	5.0
245.00903	2.2
247.02509	1.3
249.03996	3.8
257.00912	11.5
257.03436	0.8
258.01666	3.6
269.06717	0.5
273.00232	0.6
274.01260	1.2
275.01984	46.4
276.02313	1.1
283.99722	2.9
299.99149	2.1
300.99918	100.0
302.00388	2.9
377.59668	0.5
420.92365	0.6
571.48608	0.6
647.16217	53.6
648.16699	2.5
676.86554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01391	3.4
61.98846	4.1
67.01882	0.7
69.03471	1.2
69.28123	3.8
71.01371	2.6
71.05014	0.8
73.02934	1.6
81.03464	0.7
83.04602	0.7
83.05035	7.2
85.02937	1.6
95.01384	1.6
96.95983	1.9
97.02973	1.0
98.22707	1.0
107.01398	5.6
111.00880	0.9
122.74252	0.7
123.00895	9.3
124.01689	7.7
125.02459	23.7
129.03566	0.6
133.71956	0.7
136.98764	1.0
139.00363	2.4
140.01132	1.4
141.01909	1.8
147.04477	0.8
151.00392	4.5
153.02003	1.0
159.10300	4.1
161.02461	0.7
168.00610	2.3
169.01448	29.8
175.04012	0.8
201.01906	1.0
201.11331	5.0
201.12926	1.1
203.03539	1.8
209.11784	4.4
219.13783	0.9
229.01392	2.8
229.12294	1.6
231.03001	1.2
245.15463	2.0
247.13200	0.8
249.03865	0.9
253.09277	1.3
257.00797	2.0
258.01498	1.3
275.02045	10.0
276.02084	0.8
290.10104	0.7
300.99927	22.9
317.17355	0.8
335.18649	1.0
389.23044	0.9
495.29614	2.7
528.53998	0.7
542.99237	0.7
609.36298	0.8
629.29291	1.1
647.16248	9.9
647.30756	100.0
648.16180	1.5
648.31067	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	647.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
58.00584	0.9
59.01382	6.7
61.98824	0.5
69.42659	1.5
71.01383	4.0
73.02957	1.1
76.20663	0.3
76.51482	0.3
80.02674	0.9
81.03444	0.9
83.01392	0.6
83.05031	4.2
84.02167	0.8
85.02951	1.3
85.83702	0.3
87.00867	0.5
89.02457	3.2
95.01344	0.3
95.05018	0.5
96.96022	0.4
97.06626	0.5
101.02445	3.5
113.02452	2.2
119.03475	0.7
124.07632	0.4
125.02462	1.1
125.06131	0.4
125.09747	3.8
126.20184	0.3
127.11303	5.1
135.08141	1.0
137.09764	0.7
139.11302	0.6
145.05040	0.6
155.10825	2.5
161.04556	1.9
163.11285	3.3
165.09224	1.1
165.12863	2.1
169.01457	0.6
171.10272	2.9
179.05600	1.0
183.10176	0.8
185.00046	0.3
191.10760	1.0
199.09769	2.0
201.11342	100.0
202.11652	1.9
209.11845	93.5
210.12173	2.1
227.12901	11.7
228.13222	0.5
229.09772	0.8
235.08241	4.4
239.12889	1.0
253.09305	17.2
254.09608	0.5
290.19211	0.4
301.11935	0.8
319.12921	3.3
331.22888	0.4
375.21991	1.9
393.22653	2.0
405.17169	0.4
411.24185	0.6
416.65738	0.4
421.18094	0.4
437.20502	2.1
445.20703	1.7
467.23175	0.8
529.24683	0.6
571.25671	2.3
615.24701	1.8
626.98859	0.5
629.32080	0.8
647.28430	0.8
647.35883	14.5
648.36816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69799	3.5
56.11504	3.2
59.01385	100.0
61.98846	13.1
68.99646	3.5
69.55042	15.3
71.01377	4.2
73.22885	3.6
75.00885	4.1
88.98816	16.3
91.69054	3.5
95.00438	3.3
96.96018	4.7
103.01504	65.4
113.40965	3.6
116.92930	3.5
169.01495	5.1
170.22371	4.0
171.10350	6.7
172.96297	4.4
184.84886	3.6
197.11864	5.1
201.11441	4.0
209.11833	7.7
459.09503	4.0
647.32080	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	647.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30296	3.6
56.53022	3.6
59.01380	12.5
61.98832	30.8
95.01400	6.0
107.01418	7.9
111.00904	5.7
123.00896	16.7
124.01696	8.6
125.02472	30.6
125.07307	3.9
151.00394	9.3
153.01999	6.3
156.35410	4.0
169.01503	21.8
178.99866	5.5
179.58861	3.9
193.01405	12.6
283.02383	5.5
287.09152	4.7
307.08264	4.3
317.10358	4.8
392.11523	4.6
415.07489	4.2
567.24304	9.4
629.19043	5.8
647.18823	13.1
647.34918	100.0
648.34802	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	647.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75853	2.2
59.01376	8.0
61.98835	61.4
71.44436	1.8
81.77428	1.9
82.95396	1.8
85.79325	1.6
90.60197	1.7
99.15868	1.7
102.55460	1.7
113.77362	1.8
116.92863	3.3
123.00949	2.1
125.02406	1.9
151.84486	2.2
169.01453	2.3
174.13211	1.9
201.11375	26.8
209.11852	29.4
253.09407	4.2
319.12976	7.6
354.79517	2.1
469.14932	2.2
519.30408	1.9
529.79755	2.1
559.38629	2.1
571.25812	8.7
611.37811	2.7
615.24854	4.5
647.18756	4.1
647.35748	100.0
648.35724	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	647.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.3
61.98831	8.6
69.27565	12.8
71.01396	4.7
73.37838	1.9
89.02449	2.7
96.96031	3.2
100.99213	2.2
105.11006	2.1
125.02450	2.5
145.32155	2.2
165.01956	3.9
169.01442	2.5
180.04262	2.7
195.06660	2.9
201.11349	26.6
209.11877	22.6
212.67096	2.6
227.12996	2.7
246.25679	2.0
253.09291	6.9
381.24365	2.5
555.88116	2.8
647.34985	100.0
648.34949	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	647.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62212	17.0
61.98836	46.5
65.18332	22.9
70.63989	36.4
100.18459	19.0
118.81586	20.4
130.87354	22.0
160.84250	78.4
185.98871	20.5
205.59778	21.4
209.11818	62.6
236.66460	25.5
327.21765	36.1
374.59387	21.1
382.25314	23.0
465.16367	22.0
487.34421	25.5
530.32172	22.2
612.19958	31.8
647.34747	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	647.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.8
61.98834	100.0
69.23582	11.2
69.23996	25.1
71.57394	5.0
84.55450	5.1
123.00939	8.5
125.02448	19.8
130.67328	5.5
143.02783	5.6
153.01968	7.0
154.04231	5.5
165.01915	14.5
165.05598	6.7
169.01457	10.5
180.04243	9.6
195.06581	13.8
201.11482	7.5
209.11731	9.9
217.87685	6.0
225.07767	9.9
258.39722	5.4
300.99936	14.8
312.13895	5.0
493.80505	6.5
647.17108	6.5
647.35181	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
70.92490	2.0
71.01387	3.7
72.99329	2.6
85.02940	2.2
95.01366	2.6
99.00890	3.7
104.03792	2.3
123.00912	3.3
125.02459	5.5
133.02969	2.5
134.38338	1.9
135.04527	4.8
145.01472	5.8
145.02931	4.5
147.04532	3.3
157.02911	2.6
161.02489	5.2
163.02470	5.8
163.03897	4.2
169.01483	6.9
173.02437	5.9
175.04008	3.3
185.02440	2.1
189.01938	4.3
190.02679	4.7
191.03511	6.8
201.01886	9.4
203.03464	6.1
206.18076	1.9
216.00630	2.8
217.01524	9.0
218.02228	4.0
219.02890	3.0
229.01535	12.0
230.02269	2.6
231.02951	3.8
235.02330	2.3
244.00082	5.2
245.00830	9.4
247.02536	12.2
249.04086	2.7
257.00989	13.5
261.00406	2.8
267.14883	1.9
270.98859	8.5
273.00427	13.0
274.01144	9.5
275.02026	48.3
283.99661	5.6
285.00381	4.0
289.00021	2.4
291.01474	4.6
298.98383	23.2
299.99103	33.9
300.99921	100.0
302.00180	3.9
305.08640	2.4
322.82895	2.0
399.03510	2.1
425.01648	11.0
479.04657	24.5
480.05518	16.6
481.06348	27.2
577.07574	2.8
599.48151	2.2
605.07935	43.9
613.04993	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	649.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34570	0.3
54.00040	0.3
57.03439	0.5
59.01385	16.2
60.49233	0.3
63.55664	0.3
67.01881	0.5
69.03453	1.9
70.40102	0.5
71.01388	3.7
73.02955	2.8
79.54865	0.3
79.55299	0.2
79.95729	0.4
81.03461	1.0
83.01395	1.2
85.02952	1.6
87.00880	0.7
89.02462	1.2
92.32310	0.3
94.20691	0.3
95.01396	1.0
96.96025	8.6
97.02950	1.8
101.02448	2.3
107.01403	9.8
108.09185	0.4
111.00916	0.4
113.02467	2.7
119.03550	0.4
123.00896	2.1
124.01694	2.2
125.02460	58.2
126.02792	0.6
138.83746	0.3
139.00378	0.6
140.01158	0.5
141.01944	0.4
151.00369	1.1
161.04602	0.7
168.00656	0.9
169.01445	100.0
170.01787	1.9
171.10286	1.0
183.03001	0.4
183.10341	0.6
191.03464	0.4
201.11298	0.7
209.11844	1.0
211.02490	1.4
227.12889	0.3
245.01059	0.4
248.14841	0.3
263.16617	0.9
273.00314	0.6
275.01935	0.4
288.90784	0.3
300.99988	0.9
311.20401	0.3
313.05505	0.4
427.28177	0.5
443.27948	0.4
445.29092	0.5
465.06854	0.4
479.15533	3.2
487.27121	0.6
497.16632	3.6
529.28210	0.3
571.32721	0.6
589.33844	4.6
607.34656	1.0
619.18347	0.6
631.18610	0.3
649.17822	10.5
649.35364	0.9
650.17786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11442	0.5
50.96198	0.6
55.01879	0.6
57.03452	0.8
59.01382	32.2
61.98835	0.6
62.64869	0.6
67.01877	0.7
69.03455	2.2
69.90252	1.4
71.01386	12.5
71.91690	0.5
72.99327	0.6
73.00542	0.5
73.02950	5.6
79.01917	1.2
81.03463	2.0
83.01395	2.4
83.81946	0.6
85.02950	5.0
87.00880	0.8
88.98830	0.6
89.02451	5.2
95.01389	1.9
97.02969	1.9
99.00901	0.9
101.02444	7.2
101.54250	0.6
107.01398	8.7
111.00861	1.5
113.02464	8.3
119.03508	2.0
123.00881	10.2
124.01671	10.7
125.02457	67.3
126.02792	1.3
127.07575	0.7
136.98839	1.0
137.02420	1.3
139.00378	2.1
139.04025	1.3
139.11313	1.4
140.01164	1.9
141.01958	1.3
143.03511	1.5
151.00371	6.3
152.24614	0.6
153.01941	1.3
161.02390	0.7
161.04593	2.7
165.01958	1.3
166.99936	1.2
167.03531	1.3
168.00674	5.6
169.01436	82.3
170.01733	1.2
179.03546	2.1
183.02913	1.3
183.10304	1.9
193.01355	1.1
209.11803	2.2
211.02490	7.5
211.80779	0.6
216.82045	0.6
225.11317	1.1
227.12897	0.7
245.15504	0.9
247.17052	2.1
253.03389	0.6
262.65866	0.6
274.01120	1.0
275.02005	0.8
298.98419	0.6
301.00092	1.2
301.18155	1.4
313.05667	1.7
336.10306	1.2
336.60684	0.9
349.97229	0.6
408.10684	1.0
437.14520	0.6
445.29214	0.6
479.15506	5.2
480.15982	0.7
497.16565	2.8
545.94537	0.6
553.31433	1.9
571.33051	2.2
589.33691	7.7
607.34631	2.7
624.68060	0.6
649.17786	100.0
649.35553	2.9
650.18292	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	649.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75349	2.0
59.01383	8.4
60.15234	2.1
61.98824	7.2
69.10735	4.0
69.11140	9.1
71.01382	4.2
80.37337	1.9
85.44549	2.1
96.96042	4.9
107.01423	3.3
118.96652	20.9
122.16979	2.2
123.00903	2.8
124.01587	2.6
125.02474	17.2
132.98210	13.3
135.48189	2.0
150.72560	2.2
151.00352	4.1
156.98212	7.3
160.97731	14.4
169.01463	13.8
275.01926	5.7
283.09872	4.4
295.02954	3.7
300.99893	8.7
311.09207	12.0
321.04529	3.5
323.02423	7.4
326.11829	11.8
337.03973	4.8
339.05423	3.4
341.13907	7.4
353.03296	3.2
365.03458	12.2
367.05014	3.2
379.04974	7.6
380.05902	34.2
381.06256	7.3
393.06699	4.1
411.07910	3.0
412.04623	12.3
424.08426	8.6
426.10193	7.9
439.10748	64.2
440.11307	3.4
441.12299	4.0
483.09888	5.6
497.16644	3.4
499.12900	100.0
500.13547	5.0
511.13113	5.7
525.31049	2.4
586.25537	4.9
589.16064	83.0
590.16656	5.0
649.17291	16.8
649.26660	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	649.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03448	0.9
59.01377	4.2
60.63742	0.5
61.98830	1.8
65.00346	0.5
69.03462	2.1
69.87399	0.6
69.87717	1.1
71.01392	3.5
72.99352	0.7
73.02962	0.5
75.00896	0.9
81.03464	1.2
85.02966	2.6
87.00908	0.8
89.02478	0.6
89.49902	0.4
95.01404	1.7
96.96025	3.0
97.02961	2.0
99.00877	0.7
101.02452	1.7
107.01396	9.1
111.00908	2.4
113.02475	1.2
115.73340	0.5
122.38999	0.5
123.00903	11.4
124.01678	11.4
125.02461	51.7
125.09719	1.2
126.02840	0.5
127.00424	1.0
135.04532	1.1
136.98799	1.8
137.02449	0.8
139.00368	3.4
140.01175	3.0
141.01959	2.2
151.00403	7.0
153.01953	1.1
159.03040	0.8
161.04611	0.5
163.03989	0.9
166.99829	0.6
168.00659	7.4
168.45900	0.5
169.01442	65.1
170.01750	1.2
171.10265	1.0
175.03996	0.5
177.04066	3.2
179.03493	0.9
187.09775	0.7
193.05112	0.6
207.10344	0.6
209.11893	1.1
211.02534	2.0
215.08177	0.6
221.83482	0.4
237.04048	1.0
271.04544	0.7
295.04593	1.3
297.06216	0.6
311.04135	0.9
313.05716	3.2
329.05072	1.4
353.08755	2.1
371.09940	4.9
423.18628	0.5
479.19061	3.0
481.06439	0.9
487.34348	0.6
497.20380	7.7
523.10785	1.3
573.26349	0.9
618.34302	0.5
649.21393	100.0
650.21619	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	649.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86154	7.3
59.01386	10.7
61.98841	30.4
69.88216	6.7
71.01365	8.2
71.41628	9.7
71.42039	7.1
98.88113	7.7
101.02465	9.9
147.42642	7.6
179.06120	7.2
196.65790	8.8
276.31216	9.0
351.44839	8.2
487.34174	100.0
488.34995	9.4
649.32098	24.5
654.79498	9.9
670.81274	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	649.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10614	0.6
55.01880	1.5
57.03444	2.1
58.04775	0.5
58.67889	0.6
59.01386	100.0
61.98836	2.0
67.85969	0.5
71.01390	20.3
72.99316	0.7
73.02953	6.2
75.00832	0.7
81.03480	0.5
83.01397	2.8
85.02956	15.6
87.00893	1.3
89.02455	5.4
90.90435	0.6
95.01379	2.8
96.96035	1.1
97.02949	0.8
98.21909	2.3
99.00909	2.1
101.02466	10.4
108.02193	0.7
109.02915	0.7
111.00879	0.9
113.02461	17.6
116.92797	0.8
119.03559	1.6
123.00912	0.7
123.08176	0.9
124.01694	1.0
125.02443	4.4
135.04594	0.7
143.03520	2.5
149.04716	0.7
159.02925	0.6
159.12868	0.6
161.04593	3.8
169.01476	2.4
169.12317	0.6
171.10378	0.7
183.11815	1.1
188.09930	0.7
209.11917	0.8
229.01749	0.7
229.06261	1.5
245.15500	1.2
271.04840	0.9
287.81113	0.7
359.06378	0.7
375.27518	1.3
409.27557	2.3
411.25351	0.9
427.28555	8.4
428.29279	0.7
445.29700	7.4
446.29794	0.7
487.34622	1.4
541.31744	1.2
553.31732	1.4
571.32861	12.1
572.33289	1.0
587.23499	1.1
589.33844	68.8
590.34137	7.3
607.34949	22.4
608.35522	1.9
649.28137	0.9
649.36670	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	649.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97712	0.4
67.17886	0.4
70.59170	0.7
99.09229	0.5
102.29578	0.6
115.98659	0.4
117.03477	25.7
119.05038	3.9
145.02968	100.0
146.03340	2.2
161.02365	0.6
163.04005	0.6
169.22713	0.5
182.75056	0.5
290.09421	0.5
379.17188	0.5
503.33997	0.7
529.31598	0.7
649.37512	55.3
650.37872	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	649.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88980	0.6
60.59014	0.7
69.91123	2.3
78.95909	0.9
82.51871	0.7
98.22608	1.2
117.03491	1.5
132.02214	1.4
133.02972	28.3
134.03754	1.2
135.04543	9.0
137.02504	0.9
161.02458	100.0
162.02808	2.7
179.03510	4.6
649.37518	94.8
650.37903	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	649.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.9
61.98818	2.5
63.77977	0.7
71.43674	1.0
75.74260	0.8
117.03470	26.0
119.05020	4.0
123.46526	0.8
130.95816	0.8
133.02954	6.7
135.04543	2.1
145.02960	100.0
146.03302	1.6
160.84206	2.0
161.01105	1.2
161.02443	22.1
162.83911	3.6
163.04005	4.5
267.22189	0.8
433.08948	0.8
433.50198	0.8
649.37537	88.4
650.17877	1.4
650.37537	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	649.3965
Annotation	28-Glucosyl tormentate
Peak:m/z	Relative Intensity
53.39264	0.1
59.01374	1.1
59.18050	0.1
61.98817	0.2
71.01391	0.4
71.73407	0.1
74.54919	0.1
87.58400	0.1
131.54579	0.1
133.02960	0.2
171.10219	0.2
177.01909	1.1
182.29958	0.1
185.00375	0.1
207.68271	0.1
228.61563	0.1
379.29916	0.2
391.30289	0.2
409.31201	0.5
410.75281	0.1
427.07764	0.1
487.34311	100.0
488.34653	5.9
589.33997	0.5
605.96649	0.1
607.34583	0.2
649.28601	0.2
649.38654	0.3
666.72485	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	650.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.01386	73.2
61.98831	11.7
66.54934	2.3
68.56026	2.7
69.03442	2.6
71.01392	23.4
73.02943	10.2
77.49298	2.5
79.01898	3.1
83.01401	5.6
85.02947	11.8
87.00854	6.8
89.02454	15.2
95.01384	4.6
96.95995	5.1
97.02942	2.8
99.00887	3.8
101.02441	14.5
107.01385	11.5
111.00890	5.7
113.02458	17.6
113.19865	2.4
116.92912	2.4
119.03483	5.0
123.00911	16.0
124.01690	16.7
125.02473	49.4
139.00427	3.8
140.01070	3.8
143.03473	3.2
151.00328	5.2
161.04617	3.8
168.00627	7.9
169.01460	52.2
187.41331	2.4
209.11823	6.5
211.02562	4.9
234.10179	2.8
238.86082	2.6
245.15436	2.7
247.17061	3.2
250.15044	2.3
271.04437	3.0
273.00397	4.0
274.01086	3.1
301.18149	5.1
313.05750	4.3
333.85138	2.7
337.88684	3.1
417.11752	7.8
435.12985	15.4
480.15988	4.3
492.21475	4.7
493.21701	3.4
523.25543	2.8
571.32587	4.5
587.14142	100.0
588.14557	5.7
589.34070	24.1
590.34387	13.2
591.34912	3.8
607.35028	11.2
608.35284	4.2
649.38062	8.8
650.18146	4.6
650.39630	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	651.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09699	0.5
58.29211	0.5
71.01389	1.0
95.01414	1.2
99.00854	1.0
107.01424	1.3
109.60346	0.7
117.03453	1.1
119.05037	0.8
123.00916	3.5
124.01699	0.8
125.02454	10.1
137.02464	0.8
145.01393	0.9
145.02946	1.9
147.04546	2.4
151.00398	0.8
157.02954	1.7
159.04514	1.8
161.02446	1.8
163.04002	1.2
169.01436	12.1
173.02466	2.2
175.04033	2.6
177.01949	1.1
177.05597	0.6
179.03442	1.0
185.02386	2.8
187.03999	0.8
189.01947	1.2
190.02724	1.4
191.03511	2.4
201.01993	5.2
203.03499	9.8
213.01949	2.1
217.01402	1.4
218.02095	0.5
219.03011	1.8
229.01434	14.0
230.01996	1.2
231.02968	6.4
232.03458	0.7
245.00938	2.3
247.02499	1.9
249.04056	11.3
257.00980	10.6
257.03687	0.6
258.01630	4.3
259.02469	0.8
269.16803	0.6
271.04684	1.9
273.00452	2.9
274.01279	2.8
275.02002	70.9
276.02286	2.1
283.99631	2.5
293.03082	0.7
299.99152	2.6
300.99924	100.0
302.00272	4.8
315.05325	0.7
319.00958	1.3
347.06012	0.8
349.57803	0.7
463.05054	1.2
573.05377	2.4
615.05591	0.8
633.07367	33.3
634.07874	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	651.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66802	0.3
59.01385	3.2
61.98836	100.0
67.18244	0.3
71.01392	1.0
79.66436	0.3
85.02982	0.3
85.50767	0.2
89.02470	1.2
101.02448	0.9
108.05054	0.3
113.02488	0.5
116.92845	0.5
125.02524	0.7
149.04622	0.4
154.41571	0.3
169.01370	0.7
185.35593	0.3
195.06683	0.4
228.37987	0.3
292.84076	0.3
519.55798	0.3
591.35840	0.8
651.37726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91121	7.9
59.01388	83.2
61.98822	39.9
66.17413	6.9
68.68468	9.1
71.01379	32.9
73.02951	11.9
88.98847	9.3
90.58543	8.3
96.95988	10.1
101.02488	19.2
119.03473	12.6
125.02481	17.6
125.03358	8.6
161.93361	8.8
164.51901	9.0
169.01401	19.4
171.10278	68.6
207.10257	41.6
209.11882	18.8
225.11357	17.4
235.08337	9.3
415.21094	12.0
475.05078	8.9
489.32251	24.0
597.28479	13.5
615.29803	25.1
624.11920	9.5
633.29089	17.8
651.29901	100.0
651.39624	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07632	0.4
52.91716	0.5
55.01879	0.9
57.03450	2.7
58.00624	0.4
59.01384	100.0
60.01716	0.9
61.98840	1.2
69.03460	1.7
71.01389	36.7
72.99311	0.8
73.02954	27.1
81.03465	0.8
82.95428	1.2
83.01400	6.3
85.02953	14.4
87.00879	2.4
89.02448	12.8
95.01392	4.3
96.96040	1.4
97.02951	1.0
97.06605	0.9
98.21819	1.0
99.00898	2.1
101.02452	21.6
102.02790	0.5
103.70374	0.5
106.63019	0.5
107.01369	1.0
109.06643	0.8
111.08218	0.7
113.02459	24.8
116.92884	2.6
119.03506	5.2
120.68504	0.4
123.00948	1.7
124.01695	1.1
125.02473	5.1
131.03502	0.9
131.39848	0.5
135.04572	0.8
143.03520	3.0
143.10802	1.8
144.76553	0.5
149.04648	1.5
149.06058	0.9
151.07689	0.6
161.04591	4.9
163.07709	1.4
168.00641	0.9
169.01442	5.0
179.05666	0.6
179.10754	0.9
193.12419	1.6
205.08675	0.9
205.12486	0.7
209.11943	0.8
211.02507	1.5
221.06758	0.6
221.11800	6.2
233.11873	0.6
233.15466	0.6
234.10645	0.6
234.12622	3.5
235.13425	2.4
245.15530	1.0
247.16878	0.5
257.15582	1.4
259.17099	1.0
267.17615	0.6
269.15430	2.3
271.04697	0.6
272.69882	0.5
275.01907	0.6
283.13312	0.6
285.18591	7.1
288.17270	0.6
299.16544	3.7
300.99850	0.6
303.19681	14.8
304.20209	0.7
411.29321	0.9
427.32602	1.1
429.30151	5.3
447.31091	5.0
456.21021	0.5
471.31216	1.0
489.32205	14.2
490.32916	0.6
531.33276	1.1
555.32794	0.6
573.34357	2.3
591.35419	97.0
592.35767	8.9
609.36450	18.9
610.37091	1.3
618.34363	1.1
633.36450	1.7
651.38171	22.5
652.38251	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
57.03442	3.2
59.01383	100.0
60.01726	0.9
61.98837	0.7
65.52406	0.3
69.03466	1.6
69.34434	1.4
71.01387	34.7
72.99329	0.8
73.02950	26.1
75.00888	0.4
81.03472	0.4
82.95444	0.5
83.01398	6.2
83.05041	0.4
85.02954	12.9
87.00864	1.7
89.02451	13.4
93.03506	0.4
95.01389	4.6
96.96023	0.3
97.02971	1.3
97.06602	0.8
99.00891	1.6
99.04575	0.3
101.02451	19.6
109.06618	0.8
111.08147	0.4
113.02457	24.0
114.02819	0.4
116.92892	1.0
119.03514	3.5
119.04241	0.4
123.00896	0.7
123.08122	0.4
124.01680	0.9
125.02460	2.6
131.03535	1.2
135.04578	0.6
143.03470	2.5
143.10820	1.4
149.04578	1.0
149.06143	0.4
155.03543	0.4
159.03107	0.5
159.08112	0.3
161.04564	6.1
161.05852	0.4
163.07635	0.7
169.01393	2.1
177.09273	0.4
179.05681	0.7
179.10771	0.5
191.10942	0.4
193.12386	1.0
203.10916	0.6
205.08734	0.8
205.12383	0.8
211.02473	0.6
221.06728	0.6
221.11836	6.9
231.13844	0.3
233.15567	0.6
234.12622	3.8
235.13370	2.5
245.15584	0.9
247.17191	0.4
257.15582	1.3
259.16965	0.8
267.17444	0.6
269.15433	2.2
275.02103	0.4
285.18610	6.6
287.14941	0.5
288.17438	0.9
297.19690	0.4
299.16577	0.9
299.99643	0.3
303.19650	16.4
304.20099	0.6
411.28955	1.7
429.30118	5.9
447.31125	4.5
473.44409	0.3
489.32071	2.6
501.13626	0.3
573.34155	2.6
591.35406	96.4
592.35693	8.5
609.36469	19.0
610.37317	1.4
633.36523	0.6
651.38013	17.5
652.38733	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	651.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03448	4.7
59.01385	100.0
69.03459	1.9
69.42599	1.3
69.42991	2.6
71.01389	35.7
73.02954	12.5
76.35323	0.8
77.66636	0.9
82.43919	0.9
83.01388	3.3
83.05038	1.1
85.02963	13.6
87.00885	2.2
89.01946	1.1
89.02453	12.1
95.01401	5.1
96.96026	2.5
97.02957	1.9
99.00877	1.1
101.02455	15.7
107.01398	3.0
111.00852	1.0
113.01711	1.6
113.02457	23.7
119.03525	4.4
123.00893	2.6
124.01659	3.0
125.02464	14.7
143.03534	3.2
143.10776	1.9
148.04004	1.4
149.04726	1.2
151.00392	2.0
161.04565	4.3
169.01460	13.8
179.05612	1.8
190.07532	1.5
209.11867	6.1
210.12155	3.3
227.12744	1.5
229.06357	1.4
231.07448	0.8
245.15466	1.2
247.17059	15.7
267.17593	2.3
269.06635	2.8
269.15338	2.7
269.56860	1.0
285.15414	1.1
285.18616	18.5
287.16632	1.1
301.18106	1.0
303.19653	1.9
327.22025	4.7
338.12125	1.3
341.10876	3.6
343.17599	1.4
345.07047	1.6
421.21188	1.2
427.28528	1.1
429.30017	3.6
447.31046	5.6
454.19775	2.6
471.27081	1.8
481.16916	1.6
489.28644	26.1
490.28885	1.8
499.17905	1.8
536.69672	1.1
573.34479	5.9
591.35419	60.1
592.36078	4.2
609.36511	16.3
651.19080	10.5
651.38257	5.4
652.19611	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04931	0.8
55.01873	1.2
57.03445	2.9
57.47126	0.8
58.00564	1.0
59.01383	100.0
61.24891	0.8
61.98831	1.1
63.02386	2.0
69.03442	1.9
69.76013	1.3
71.01387	26.9
73.02949	14.8
81.07088	0.8
82.95443	1.2
83.01397	5.5
85.02954	11.8
87.00866	1.0
89.02446	10.7
95.01363	4.6
96.96004	1.2
97.02965	2.2
99.00898	2.1
101.02455	14.2
107.01393	3.0
113.02459	20.0
116.92867	1.0
119.03526	2.6
123.00893	1.4
124.01643	1.2
125.02452	8.4
137.02501	0.9
143.03462	1.5
146.13594	0.8
151.00380	7.5
153.50269	0.8
161.04591	4.0
165.17183	0.8
169.01421	6.8
177.01965	1.5
178.99889	9.4
183.99055	0.8
199.03902	0.9
203.08246	1.6
221.11833	6.8
222.82558	0.8
229.06161	2.7
234.12639	3.5
235.13382	2.9
245.15512	1.7
247.02594	1.0
247.16983	3.4
249.59384	1.0
255.03047	1.2
259.17148	1.2
260.64429	0.8
269.15497	1.9
283.02637	1.4
285.18552	6.0
300.99750	1.1
303.19693	17.1
322.98120	2.1
381.06125	1.1
407.03906	0.9
410.14084	1.5
417.02359	1.7
429.30261	3.5
445.02301	1.4
447.31125	3.0
489.28650	1.4
520.67554	0.9
573.34375	3.9
591.35419	89.4
592.35614	9.7
609.36548	22.4
610.36890	1.6
651.19482	3.9
651.37872	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	651.4112
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
53.00599	0.8
59.01085	1.1
59.01382	19.1
61.98815	2.0
69.09962	5.9
71.01389	14.2
85.02956	1.4
89.02451	18.8
96.96011	1.2
101.02460	5.8
113.02448	4.6
119.03509	4.3
122.57127	0.8
128.98303	0.9
143.03529	1.1
156.97882	1.1
161.04570	2.5
179.05594	10.3
293.03461	1.0
444.94327	0.9
464.81046	1.0
471.34824	100.0
472.35107	9.7
553.35052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4115
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
51.32157	0.9
52.14631	0.8
59.01386	22.9
61.98836	3.9
71.01392	17.8
73.02933	1.0
75.55494	0.9
85.02962	1.9
87.00889	1.2
89.02456	24.6
101.02448	6.3
113.02480	5.0
119.03503	4.6
131.03477	1.2
143.03537	2.9
149.04546	1.2
151.41370	0.9
160.25046	0.8
161.04616	3.2
170.05017	0.8
179.05640	13.0
209.11797	1.0
225.11087	0.9
295.99496	0.8
471.34833	100.0
472.35269	10.5
624.07874	0.9
651.41327	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	652.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51543	2.2
59.01390	32.3
59.91563	2.3
71.01400	16.6
83.36803	2.4
89.02450	22.2
91.33261	2.4
96.96051	4.2
101.02465	9.8
113.02441	4.7
119.03529	8.6
125.02450	4.0
153.14343	2.6
169.01411	3.3
179.05606	6.2
465.25247	3.4
582.20056	2.8
609.36407	100.0
610.36609	10.6
649.83002	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	652.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	53.3
61.58023	4.1
61.98824	6.3
71.01384	19.7
84.42828	4.4
85.02964	5.9
89.02457	20.9
96.96037	9.6
101.02445	11.4
107.01387	8.5
111.20113	5.0
113.02429	7.6
119.03521	15.3
125.02460	10.2
151.00404	9.7
169.01462	7.7
178.99962	8.2
179.05682	5.8
208.91600	4.9
487.49765	5.7
609.36481	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	652.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10000	0.7
55.01854	0.9
55.53506	0.7
57.03455	1.7
59.01384	73.5
60.01714	1.6
61.98836	1.1
71.01387	22.7
73.02942	3.9
74.85530	0.7
81.58609	0.7
82.95407	2.2
83.01390	2.2
85.02963	6.7
87.00900	1.1
88.98817	1.4
89.02454	21.0
95.01385	2.5
95.06887	0.8
101.02444	14.6
111.00846	0.8
113.02459	10.1
119.03514	7.7
123.00871	1.3
124.01649	0.9
125.02451	2.8
131.03479	0.8
141.78587	0.9
143.03546	1.5
149.04582	1.1
161.04527	2.3
167.63800	0.8
169.01448	4.3
179.05600	3.0
209.11816	1.4
211.02489	0.9
221.11844	2.4
234.12639	2.1
235.13315	0.8
269.15714	1.1
271.04672	2.3
285.18524	1.6
303.19717	7.9
429.30060	1.9
447.31073	4.5
518.32129	1.0
536.32678	1.0
556.33441	1.8
574.34650	4.1
591.35431	2.3
592.35675	4.2
593.37000	2.2
609.36456	100.0
610.36896	8.2
616.35980	2.9
652.38477	1.4
653.21021	1.3
653.31055	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.0
59.01361	2.5
63.02409	14.9
65.00325	9.4
70.96239	2.9
83.01403	13.3
88.99451	1.8
107.01390	22.5
116.00430	2.0
125.02454	27.6
125.15021	2.0
130.91289	1.8
130.92551	1.8
131.41417	1.9
137.02425	2.9
151.00385	65.8
151.03912	2.1
153.01912	5.6
159.04529	4.4
163.00349	2.6
164.01178	3.0
164.96196	2.2
165.01924	9.0
167.03461	2.5
169.01416	7.3
171.04477	3.0
173.05963	2.5
175.00406	2.2
177.01944	4.5
178.99870	100.0
181.01466	2.6
183.02942	4.8
183.04498	3.1
187.03983	6.1
189.01978	2.5
193.01398	9.2
195.02974	2.8
199.04033	5.8
202.02744	2.1
203.03493	6.3
205.01401	3.8
211.03958	4.2
215.03545	7.4
227.03502	8.2
229.05057	4.8
231.03043	4.6
233.04491	2.3
239.03476	4.6
241.04929	3.9
242.79402	2.2
243.03017	19.8
244.03629	2.3
245.04478	3.8
255.02931	7.0
257.04538	3.6
259.02490	11.9
260.03201	12.4
261.04016	10.3
267.03040	6.3
271.02463	4.2
273.04086	2.9
283.02509	9.6
285.04016	7.6
287.01950	3.8
295.02493	7.6
299.01898	5.7
301.03491	4.9
303.05304	3.8
311.01901	7.5
313.03574	6.1
315.01651	4.6
323.05649	2.8
327.01376	5.3
329.02948	10.8
337.03415	3.4
339.01382	4.4
351.05301	4.9
365.06799	2.7
379.04794	2.0
391.04379	5.0
393.06094	5.1
403.04608	2.9
407.03741	4.0
409.05627	9.0
411.07431	5.5
419.04108	6.8
421.05649	5.1
437.05215	4.9
439.06674	2.4
447.03549	13.8
455.06116	6.2
465.04657	52.6
466.05219	4.0
483.05902	7.4
487.06583	7.3
491.02286	2.7
509.03751	21.2
510.04059	3.7
529.07825	10.2
537.04138	2.5
555.05811	11.5
573.06854	10.6
591.07281	2.5
609.08813	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	653.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01377	5.5
59.18911	0.5
69.03438	0.9
69.19900	1.1
69.20291	2.5
71.01375	3.7
73.02947	2.0
78.01073	0.6
79.01875	1.0
79.29720	0.5
81.03463	0.9
83.01377	0.8
85.02962	2.5
89.02448	2.9
95.01382	2.2
96.96000	0.7
97.02930	0.9
99.00883	1.2
101.02438	3.1
107.01401	7.8
111.00880	1.2
113.02441	2.2
119.03515	1.2
123.00910	9.7
124.00844	0.9
124.01680	10.4
125.02463	29.8
131.03488	1.5
135.04494	2.8
136.98846	0.5
139.00356	1.8
140.01166	3.0
141.01967	1.4
142.17249	0.5
145.01469	3.4
147.04515	0.5
151.00386	5.5
153.01950	1.0
161.04591	2.7
163.02516	3.0
166.99831	0.5
168.00656	4.0
169.01442	34.3
170.01656	0.6
179.03514	2.7
179.05571	1.3
187.13373	0.6
193.04895	0.6
198.78172	0.5
211.02461	1.9
237.04057	1.1
266.27643	0.6
271.04642	1.7
275.01944	0.5
295.04520	1.3
300.99820	0.5
311.09134	1.0
313.05673	1.5
316.47925	0.6
341.14117	0.9
355.56033	0.5
361.55695	0.6
409.22708	0.8
413.38098	0.5
483.18768	4.3
501.19824	9.0
507.18948	1.7
653.20917	100.0
654.21344	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	653.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
57.03452	10.0
59.01384	100.0
67.79662	1.0
69.33459	4.6
71.01388	57.2
83.01399	3.0
84.02194	1.3
85.02957	84.2
87.00880	2.9
89.02453	90.5
95.01399	3.7
100.32542	1.0
101.02453	28.1
113.02461	89.4
117.42223	0.9
119.03513	39.1
125.02464	2.1
131.03519	58.0
131.49692	1.0
143.03528	9.1
149.04567	2.9
159.42441	1.2
161.04587	12.8
169.01466	1.9
175.25354	1.0
179.05626	51.1
180.07932	1.3
198.39073	1.0
224.04688	1.3
238.06456	1.4
239.10870	1.5
248.46336	1.0
255.10245	5.6
266.05771	1.4
269.11865	2.4
283.09781	21.1
294.15903	1.0
295.09775	2.7
296.10498	2.2
297.11392	1.5
298.12137	2.6
310.12064	2.3
311.09268	50.9
312.09515	2.0
325.10648	2.6
326.11621	32.5
341.13943	39.0
342.14215	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03454	1.5
57.98648	0.7
58.71564	0.6
59.01388	25.6
59.03620	0.7
63.00965	0.8
67.73734	0.7
71.01389	15.4
73.02953	6.7
75.00883	0.8
77.53723	0.7
82.95457	0.9
83.01385	2.7
85.02982	6.6
86.00110	0.8
87.00889	5.1
89.02456	9.7
95.01426	1.8
97.02943	1.4
99.00890	3.1
101.02454	10.1
107.01394	2.2
109.03014	1.0
111.00890	3.6
113.02463	4.2
117.03315	0.7
119.03544	1.5
121.02962	2.2
123.00909	1.8
124.01677	1.8
125.02474	6.7
127.00241	0.8
131.03523	1.6
145.02913	1.1
147.04538	1.1
147.36322	0.9
149.04556	2.4
150.03268	1.2
151.00369	3.6
159.04541	1.4
161.04659	0.8
161.23753	0.8
164.19720	0.8
165.05611	1.5
169.01447	5.1
178.99905	2.6
188.04803	3.1
189.05513	2.0
203.68314	0.7
208.97699	0.8
211.07874	0.7
217.05069	7.4
225.05608	1.2
237.05598	0.9
240.04282	1.0
241.05104	1.2
251.07147	0.8
261.04080	1.5
265.08682	2.0
267.06686	2.0
268.07422	1.9
269.08203	2.4
280.07449	1.5
281.08234	2.7
282.08990	7.1
283.09769	4.3
293.08197	2.8
294.09116	0.9
295.09756	4.1
299.09323	1.8
300.10071	1.0
303.05392	0.9
309.11414	1.3
311.09283	6.3
312.09967	1.0
313.10880	0.8
314.08142	1.3
314.11700	2.4
315.12415	1.5
317.03061	1.0
325.10913	1.2
326.11600	13.2
327.12384	10.3
329.13925	4.8
333.06079	1.1
340.09573	1.2
341.13983	11.4
343.11667	1.1
355.11859	6.1
363.07251	1.5
369.13553	1.6
467.75223	0.9
473.14154	4.5
476.16867	3.1
477.18149	0.9
488.16980	7.0
489.17526	1.2
491.19254	8.1
501.20212	5.6
503.19287	100.0
504.19705	5.9
608.21143	1.0
623.23529	49.1
624.23975	1.9
635.23560	30.2
636.23804	1.3
653.13458	4.0
653.23065	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	653.295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	28.1
71.01389	13.8
73.02953	2.6
80.02667	3.7
81.03468	4.4
83.05011	4.1
85.02971	2.6
87.00874	3.1
89.02446	6.4
93.03442	2.2
95.05040	3.5
97.02950	6.2
97.06591	2.3
101.02471	10.1
104.30807	2.8
109.06606	13.3
113.02438	3.9
120.05864	2.2
121.06611	3.8
123.08160	4.3
125.02449	3.5
125.09740	10.1
133.17163	2.0
135.08150	3.4
149.09706	2.8
161.04553	3.5
163.11255	12.4
165.12758	2.9
169.01495	3.6
171.10281	51.2
181.12349	4.5
185.11838	7.5
185.13255	2.1
187.09671	2.5
207.10258	39.4
209.11853	100.0
210.12141	2.4
217.12334	11.1
221.11922	4.6
225.11365	17.3
227.12894	7.2
233.20709	2.1
235.08250	6.4
235.13399	4.3
245.11694	4.9
247.13329	5.8
249.11452	2.3
253.09291	9.0
263.12729	8.3
315.02887	2.7
381.20761	3.5
399.21838	18.7
405.16696	2.3
407.19147	2.5
417.22842	22.0
443.19409	2.6
445.20709	2.8
461.20309	7.7
499.21628	2.7
593.37079	3.4
635.30780	40.0
653.31549	88.7
654.32904	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	653.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39048	3.2
57.03455	3.3
59.01379	53.0
61.98843	15.3
71.01390	19.2
73.02959	5.8
83.05018	5.4
85.02970	7.5
85.82031	3.0
89.02442	8.0
97.02949	3.7
101.02479	15.5
109.02935	3.4
109.06595	9.2
111.65442	3.1
113.02457	10.4
119.03560	4.1
123.00892	3.7
125.02476	9.2
125.09736	9.8
135.04544	17.5
136.65691	3.5
137.02478	7.7
157.97739	3.1
161.04578	5.9
163.11304	5.0
169.01357	7.6
170.41039	3.4
171.10297	82.9
179.05658	4.4
185.11777	6.1
207.10301	20.4
209.11847	100.0
217.12291	7.8
221.11778	7.4
225.11385	11.7
227.12837	11.9
235.08203	7.3
236.42462	4.0
253.09381	10.7
293.83566	3.6
302.55582	3.4
399.21674	12.0
407.19067	5.9
417.22784	14.7
445.20889	5.9
479.92795	3.8
505.37643	4.0
593.36682	7.9
635.30597	29.0
653.31354	97.3
654.32336	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	653.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
59.01377	17.6
61.98812	3.0
69.03454	1.1
71.01389	9.5
73.02969	2.7
80.02698	1.7
81.03471	2.7
83.01389	2.6
83.05042	6.7
85.02946	3.1
87.00883	2.8
89.02463	7.1
93.03458	2.2
95.05033	3.3
97.02972	3.8
97.06593	3.7
99.00891	1.4
101.02444	7.7
106.04234	1.4
109.06605	17.2
111.60070	1.0
112.53352	1.1
113.02465	4.2
119.03486	1.0
120.05822	1.6
121.02956	1.6
121.06593	3.2
123.04556	1.4
123.08172	4.1
125.02469	2.7
125.09742	8.8
135.08124	2.4
136.05385	1.4
137.09714	1.8
144.89169	1.5
161.04546	1.9
161.09756	2.1
163.11316	14.8
165.12897	2.4
169.01566	1.2
171.10301	22.7
175.11307	1.7
177.12701	1.6
179.10916	1.4
181.12346	3.7
185.11856	6.2
187.09732	3.5
189.09262	2.6
191.10815	2.3
191.14435	1.3
203.14401	1.9
205.12300	1.4
207.08296	2.3
207.10265	45.9
209.11842	100.0
210.12172	2.6
211.13457	2.2
213.09190	1.9
214.62369	1.1
217.12367	7.3
221.11887	3.2
225.11345	24.4
227.12898	5.0
229.12343	2.0
231.10213	2.3
235.08241	5.0
235.13441	5.2
245.11847	4.3
247.13512	6.3
249.11353	3.4
253.09285	7.7
263.12857	10.1
265.14511	6.0
297.75644	1.1
327.23276	1.4
341.51086	1.2
371.22610	1.3
373.23889	2.4
381.20718	3.3
389.23386	1.8
399.21741	14.3
405.17532	1.2
407.19415	2.7
417.22873	21.1
435.24030	4.5
443.19055	4.0
445.20688	2.2
461.20328	7.0
481.20386	2.4
499.22079	2.2
562.32288	1.4
635.30786	38.0
636.31201	2.6
647.32623	1.2
653.31744	97.0
654.31854	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	653.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49240	1.0
59.01380	8.0
61.98835	12.8
64.00240	0.8
69.03448	1.8
71.01392	4.6
73.02948	1.5
73.17136	0.9
81.03439	1.1
83.01411	1.1
83.05056	1.5
87.00893	1.4
89.02455	2.0
89.43394	0.9
97.02908	1.1
97.85985	0.9
98.22640	3.4
101.02449	3.8
109.06592	2.8
113.02478	2.3
119.03480	1.1
123.08101	1.2
125.09687	1.7
128.24956	0.9
152.38171	1.0
161.04585	1.9
162.74986	1.0
163.11302	2.7
167.10793	2.7
167.14348	0.9
171.10268	2.3
179.14388	1.7
183.13860	5.8
185.11790	1.7
193.12318	1.5
195.13911	6.3
205.12300	6.8
207.10275	8.2
209.11861	13.8
211.13419	100.0
212.13644	1.5
217.12401	1.6
223.13409	67.8
224.13728	2.1
225.11295	5.4
235.08260	3.7
247.13480	1.0
253.09322	8.7
263.12637	1.2
303.86145	0.9
315.60318	1.1
399.21677	2.1
413.48257	1.2
447.22458	4.6
459.22220	7.9
461.20319	1.2
630.94830	1.3
635.30725	6.4
653.32245	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	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62452	0.8
53.55636	0.9
55.01881	2.0
58.00610	1.6
59.01385	56.2
61.12296	1.0
61.98835	10.5
69.03459	2.0
70.96069	1.7
70.99536	0.8
71.01389	35.4
71.01784	1.8
72.99317	1.6
73.02966	6.6
81.03471	2.3
83.01408	4.0
85.02956	7.3
87.00878	9.5
89.02456	35.3
95.01407	3.0
95.59272	1.1
97.02969	6.7
99.00829	2.3
101.02454	30.1
101.03111	1.8
107.01358	1.1
113.02471	15.5
119.03516	11.6
124.01672	1.3
125.02463	13.8
131.03534	2.0
139.04063	1.5
141.28909	1.0
143.03552	6.0
149.04588	1.2
152.99615	1.3
161.04594	5.4
161.09010	0.9
167.03368	1.0
179.05634	7.1
199.06252	1.0
207.10231	1.4
209.11855	3.3
221.06583	2.6
235.08247	14.8
245.06589	1.0
253.09369	3.3
255.23323	100.0
256.23669	2.4
269.24625	1.4
277.09320	1.1
287.07822	3.3
305.08801	3.8
323.09882	1.8
397.13535	88.9
398.13766	3.8
415.14572	32.8
486.93268	1.1
564.06409	1.3
586.45544	1.3
586.55286	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67428	0.7
51.90545	0.7
53.55475	0.7
55.01874	1.1
56.38821	0.7
57.03439	1.0
59.01388	55.2
61.98811	1.0
69.03458	1.9
71.01389	36.3
72.99306	1.0
73.02960	6.2
81.03447	1.3
83.01400	3.5
83.04996	0.9
85.02962	7.1
87.00894	9.5
89.02454	33.5
95.01391	2.5
97.02975	6.8
98.22616	2.1
99.00898	2.0
101.02453	33.5
111.04505	1.0
113.02469	14.1
119.03515	10.2
125.02457	12.6
127.03996	1.0
131.03508	1.6
133.05093	1.1
139.04002	1.2
143.03528	5.8
149.04584	1.1
161.04608	7.9
167.03479	0.8
179.05641	6.5
199.06062	1.2
217.07253	1.0
221.06657	2.6
235.08261	14.2
253.09399	2.8
255.23328	100.0
256.23654	2.9
277.09259	1.3
287.07648	3.6
305.08835	3.9
337.73129	0.8
379.12265	0.9
397.13547	82.8
398.13739	2.2
415.14639	34.0
427.10318	0.9
429.97934	0.8
547.51111	1.0
675.21423	1.0
679.85986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14869	0.4
55.01879	1.4
57.03444	2.9
58.00585	0.5
59.01384	100.0
60.01715	0.6
68.99811	0.5
69.03465	1.0
71.01388	24.8
72.99317	0.5
73.02954	7.1
75.53408	0.5
80.91108	0.5
83.01392	3.3
84.95142	1.4
85.02956	15.9
85.03476	0.8
87.00909	1.2
89.02452	13.5
95.01404	3.2
95.29068	0.4
96.96036	1.0
97.02945	1.1
98.47538	0.5
99.00887	1.7
101.02449	13.9
107.05034	0.6
111.00973	0.6
113.02465	17.3
119.03512	4.2
124.01701	1.0
125.02478	3.9
125.06078	0.7
131.03557	0.6
140.58461	0.5
143.03551	2.0
143.10783	3.0
159.03081	0.7
161.04570	4.4
169.01471	1.9
179.05679	1.4
241.15987	0.6
247.17139	0.5
269.19049	2.7
283.16913	0.6
285.15335	0.6
285.18549	0.6
287.14926	2.8
287.20084	0.8
301.18109	1.4
305.16315	0.6
319.19043	2.2
455.31598	0.7
460.43289	0.4
473.32813	1.3
491.33862	4.5
539.33997	0.8
557.34924	1.1
575.35724	2.4
593.36981	49.4
594.37317	4.7
611.29919	0.6
611.37994	35.0
612.38367	3.3
635.38373	3.0
653.20862	3.1
653.39142	35.8
654.39313	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	653.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74892	0.6
59.01384	100.0
61.98843	4.6
63.17494	0.6
71.01385	8.0
73.02975	1.7
79.63538	0.7
85.02964	2.5
89.02453	10.8
90.26553	0.6
94.94061	0.6
95.01421	1.6
101.02451	4.8
113.02467	4.6
119.03489	4.2
119.05015	0.9
125.02467	1.4
131.03485	1.3
143.03543	1.3
149.36597	0.7
150.06796	0.8
151.00392	0.7
161.04549	3.4
169.01468	1.5
179.05629	6.2
380.80475	0.8
454.20334	1.4
535.12286	0.8
593.36877	12.8
593.45636	0.9
611.38104	2.1
653.21680	0.9
653.30627	1.3
653.40448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66538	1.2
53.98735	1.1
59.01386	100.0
61.98842	11.1
62.59141	1.0
69.60091	3.2
71.01394	10.4
73.02939	2.8
82.95438	2.8
85.02973	4.5
89.02469	4.4
95.01425	1.5
98.22574	2.2
99.00942	1.4
101.02460	5.7
107.01443	1.1
113.02467	5.6
119.03503	2.8
123.00883	1.8
125.02466	5.9
139.04070	1.2
161.04587	2.6
169.01456	3.2
189.82568	1.2
198.81779	1.2
213.32584	1.2
421.19022	1.5
431.31778	1.4
495.34686	1.4
507.97824	1.3
525.92010	1.3
593.36993	22.6
594.37036	1.9
610.36761	2.8
611.38171	5.4
653.20514	2.9
653.30426	2.4
653.39709	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	653.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48659	0.5
54.94518	0.5
55.01907	0.7
57.03434	0.8
59.01385	100.0
61.98835	21.3
65.19237	0.6
66.68341	0.6
71.01389	10.9
71.42335	0.6
73.02955	2.8
83.01420	1.6
85.02955	5.4
85.03336	0.5
89.02467	3.4
93.03495	1.5
95.01397	1.8
96.96043	0.8
99.00910	1.3
101.02438	5.1
113.02463	6.2
119.03561	1.4
123.00907	1.1
125.02509	2.0
137.02473	1.7
151.00330	0.7
161.04588	1.3
169.01457	1.7
204.06683	0.6
215.16437	0.6
220.49889	0.6
269.88620	0.6
269.91391	0.7
301.80347	0.7
392.68802	0.6
449.32858	3.6
456.31955	0.6
593.36993	21.9
594.37524	1.8
610.36761	0.8
611.38037	17.9
611.47443	1.1
612.39136	1.3
653.39893	6.9
654.40613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
59.63165	2.2
66.62270	2.0
71.17508	2.1
98.22729	5.3
98.76308	2.1
99.92607	5.0
102.14869	2.1
136.50449	2.1
198.64302	2.0
237.47717	2.3
375.71234	2.4
454.70432	2.6
553.05609	2.5
593.36200	2.6
620.86780	2.9
622.01556	2.9
653.44299	100.0
654.44659	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	654.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.1
60.01731	0.9
61.98835	100.0
67.55216	0.5
69.03455	0.4
69.99427	0.5
71.01386	7.6
72.01733	1.2
73.02960	1.2
74.03291	0.5
75.48027	0.6
78.95927	0.6
82.27242	0.5
83.01400	1.1
85.02963	1.0
87.00917	1.6
89.02460	6.4
90.02797	0.7
94.57861	0.5
97.02977	1.5
101.02436	6.8
107.94316	0.5
113.01761	0.7
113.02425	2.8
119.03526	2.3
125.02488	2.2
143.03540	1.1
150.01241	0.5
161.04584	0.6
179.05656	1.7
180.05994	0.5
181.07231	0.8
207.10358	0.7
211.13448	1.0
223.02036	0.5
225.11386	0.8
235.08319	1.7
236.08656	1.0
253.68082	0.5
255.23325	11.8
255.25771	0.8
256.23679	10.9
256.26251	1.0
323.09698	0.5
397.13547	10.9
398.13892	7.5
415.14691	3.1
416.14941	3.7
471.34827	0.7
472.35510	1.7
626.36755	0.7
654.27332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76605	0.2
59.01375	0.4
61.98835	100.0
66.49137	0.2
67.79272	0.3
89.29650	0.3
147.11699	0.3
164.23819	0.3
181.07239	0.7
211.13458	0.4
471.34933	0.6
472.35110	1.6
480.69550	0.3
629.60895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55468	0.5
59.01383	2.1
61.98835	100.0
69.06524	1.8
69.06925	1.0
71.01392	1.0
89.02455	0.6
101.02480	0.8
134.11038	0.5
209.11865	0.5
255.23418	1.5
256.23734	1.6
370.30511	0.5
397.13751	0.7
398.14111	1.1
415.14578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80209	17.3
59.01382	100.0
67.60492	16.4
69.32450	99.4
71.01382	53.6
85.02964	17.1
89.02454	35.1
97.60214	18.7
101.02448	26.6
108.47711	16.2
113.02512	16.9
152.19881	17.0
179.05571	26.1
184.21425	19.7
228.86458	18.2
240.35150	18.7
258.72778	18.2
330.23703	18.1
611.38025	92.4
654.38177	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06128	11.5
59.01380	100.0
61.98820	55.9
71.01377	32.4
71.44456	14.0
73.51202	13.2
82.95451	12.2
83.53069	12.0
89.02444	29.2
96.96021	22.5
101.02419	20.7
107.01397	16.5
113.02444	21.6
113.36429	13.0
125.02459	32.0
151.00317	16.9
169.01416	15.3
229.99338	14.9
317.25134	14.5
361.79468	14.5
522.41724	13.6
594.35364	14.0
611.38129	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	654.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01724	7.8
61.01541	5.7
61.98835	33.6
64.18442	5.8
64.37891	5.5
71.01395	50.9
73.31650	6.4
82.95420	7.4
83.01407	6.2
84.95109	39.1
85.02975	22.5
89.02476	24.6
96.96050	8.8
101.02453	40.4
110.28905	7.4
112.16718	6.1
113.02437	15.4
119.03533	14.6
125.02456	24.8
136.49425	6.8
161.04582	17.2
169.01418	19.6
179.05641	13.0
179.07158	6.5
274.33911	6.6
492.34109	16.8
501.39813	7.4
509.29272	7.4
568.24585	6.7
594.37384	20.1
611.37622	38.3
619.20453	23.7
636.38196	18.3
654.39673	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
57.03439	2.1
59.01383	61.3
60.01721	2.0
61.47308	0.8
61.98831	14.7
71.01391	25.6
71.44038	1.1
73.02955	6.7
81.03476	1.6
83.01403	3.6
83.05037	3.6
85.02949	9.2
86.08254	1.1
87.00887	1.2
88.98835	1.0
89.02453	12.9
92.75529	0.8
95.01397	2.5
96.96014	1.7
97.02952	1.4
99.00884	2.3
101.02448	15.4
109.02950	1.0
109.06582	1.1
111.00935	1.2
113.02458	14.3
114.02795	1.4
115.00415	1.1
115.21554	0.8
119.03510	4.1
123.00877	3.0
124.01691	1.2
125.02464	5.2
132.49850	0.9
135.08243	1.1
143.03554	1.8
143.10765	1.3
145.01440	1.2
150.03159	0.9
151.92653	0.8
161.04552	4.0
163.11304	4.3
165.12794	1.5
168.00668	1.6
169.01471	5.4
171.10324	2.3
175.04022	0.9
175.14934	0.9
179.05731	1.4
209.11838	100.0
211.13351	0.8
225.11342	1.1
227.12920	5.8
235.08121	1.5
247.13457	1.3
253.09358	3.9
271.04666	1.0
286.23694	0.9
300.99817	0.9
305.21143	1.0
313.11450	1.1
315.52802	1.8
316.03296	0.9
357.26608	1.7
358.26892	4.1
401.23230	1.7
414.26001	0.9
449.32492	4.5
459.16418	1.2
515.19318	1.0
593.36920	3.0
594.37384	23.8
595.38275	3.3
611.38019	79.5
612.38220	15.6
637.32367	3.2
654.21027	1.9
654.31732	4.4
654.39600	4.6
655.34412	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	654.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69574	0.6
57.03457	1.0
59.01383	100.0
60.01706	5.8
61.98831	3.5
69.03485	0.8
71.01386	22.4
71.05020	0.8
71.44615	0.6
72.01728	0.9
73.02943	4.6
83.01414	1.4
83.05029	1.1
83.70262	0.6
85.02948	7.1
87.00867	0.9
88.98843	0.8
89.02454	17.8
95.01405	1.6
95.33395	0.6
96.96024	0.8
101.02459	13.0
111.00928	0.6
113.02450	11.4
114.02829	1.2
119.03526	6.2
120.03854	0.7
122.77064	0.7
124.01692	0.8
125.02460	4.0
125.88316	0.7
131.03505	0.7
134.20485	0.6
135.04536	0.8
136.65596	0.6
143.03514	2.0
156.48941	0.6
158.03607	0.8
161.04567	3.6
163.11324	1.3
169.01392	3.7
171.01981	0.8
171.10313	0.8
179.05600	3.3
209.11848	27.9
227.12897	1.8
253.09467	0.9
300.99918	0.8
305.21338	1.3
330.68597	0.8
359.28278	0.9
380.79645	0.7
449.32990	2.3
450.33038	1.5
465.61026	0.7
537.32776	0.8
593.37006	1.4
594.37231	18.7
595.38373	2.0
611.37976	70.5
612.38165	9.2
637.32495	0.9
654.41077	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	655.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
58.00575	1.3
59.01386	100.0
59.95974	1.1
61.98828	1.0
62.80963	1.0
69.04257	0.8
69.34938	2.1
69.35344	3.7
71.01389	46.2
72.99331	1.5
73.02950	1.6
80.12343	1.0
85.02959	7.5
87.00873	2.9
89.02454	68.8
95.01382	3.3
95.47572	1.1
97.58323	0.8
101.02452	21.2
113.02462	18.8
114.93424	6.1
119.03516	25.5
124.01640	1.1
125.02442	3.2
131.03500	2.3
140.30389	0.9
143.03520	5.8
149.04527	3.8
161.04578	6.8
169.01405	1.9
179.05637	15.0
193.46599	0.9
195.43697	1.1
225.05739	1.0
326.06537	0.9
332.39212	1.0
586.80127	1.2
612.34302	1.2
655.23755	3.6
655.35638	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52699	0.6
59.01385	100.0
60.01726	1.0
69.89178	1.9
70.14701	0.6
70.69946	0.5
71.01389	30.0
72.99314	0.9
73.02975	0.6
77.02494	0.6
85.02962	4.0
89.02451	47.6
98.21936	1.1
99.00900	0.7
101.02445	3.2
113.02459	5.5
119.03516	1.5
125.02464	1.0
131.03519	7.8
133.01404	1.0
149.04579	9.2
149.05711	1.0
169.01407	0.8
194.33328	0.6
207.50450	0.6
272.38425	0.6
277.81769	0.5
281.91647	0.6
304.15643	0.6
333.56161	0.5
371.15442	0.6
655.33966	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	655.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83002	0.1
55.01877	0.1
56.82628	0.1
57.03442	0.2
59.01383	2.6
61.98837	0.2
66.64001	0.1
68.83601	0.1
71.01387	2.0
73.02950	0.4
80.02677	1.0
81.03468	1.0
83.01402	0.2
83.05034	4.0
84.02161	0.3
85.02959	0.5
87.00888	0.4
89.02445	1.2
95.01375	0.2
95.05035	0.6
97.02965	0.2
97.06565	0.2
99.00874	0.2
101.02443	1.6
106.04239	0.1
107.05033	0.1
109.06602	0.4
111.08195	0.1
113.02445	0.9
119.03513	0.4
123.08182	0.2
125.02479	0.2
125.06108	0.4
125.09731	0.5
133.05045	0.1
135.08160	0.8
137.02419	0.1
143.03508	0.1
145.05035	0.2
147.11812	0.2
149.09689	0.2
161.04564	0.7
163.11298	3.7
164.11617	0.1
165.12869	2.1
169.01425	0.1
171.10280	1.4
179.05594	0.3
181.12364	0.6
183.13882	0.2
185.11919	0.5
191.10782	0.8
193.12029	0.1
203.11115	0.1
203.14389	0.2
207.10310	0.8
209.11842	100.0
210.12166	2.9
211.13408	1.1
223.13428	0.2
225.11307	0.4
227.12894	6.0
228.13129	0.2
231.13902	0.2
233.11911	0.2
235.08234	1.7
247.13455	1.0
249.14972	0.7
251.13071	0.1
253.09293	4.6
265.14456	0.3
318.09042	0.1
339.23279	0.1
383.22168	0.7
391.24637	0.2
401.23340	1.5
402.23660	0.1
419.24445	1.0
445.20746	1.2
461.20151	0.1
593.29706	0.1
595.38403	0.1
619.31512	0.2
637.32281	4.1
638.32471	0.4
655.33118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
59.01379	3.3
59.70068	0.3
61.98829	0.3
70.74616	0.7
71.01385	2.9
71.68367	0.3
73.02936	0.5
73.05627	0.3
74.61312	0.3
77.41724	0.4
80.02692	0.7
81.03462	0.6
83.01395	0.6
83.05032	2.4
84.02167	0.5
85.02959	0.6
87.00873	0.8
89.02430	2.1
90.18216	0.3
95.05015	0.8
96.01213	0.3
97.02935	0.6
100.74696	0.3
101.02441	2.2
109.06577	1.6
110.03730	0.5
111.32574	0.4
113.02477	0.8
134.26508	0.3
134.99712	0.3
135.08232	0.3
145.05019	0.4
161.04533	1.0
163.11287	3.4
165.12846	1.3
166.19881	0.3
171.10294	0.4
181.12421	0.5
183.13893	0.7
190.77928	0.3
191.10757	0.4
207.10281	4.4
209.11838	100.0
210.12190	3.0
211.13417	10.5
225.11340	7.7
227.12889	6.0
235.08205	2.7
253.09302	5.4
373.23956	0.6
383.22299	1.2
401.23315	2.1
413.03781	0.4
415.35779	0.4
419.24365	1.2
443.19269	0.5
445.20752	1.0
447.22198	0.4
461.20068	1.7
619.29877	0.4
637.32202	3.5
638.31934	0.4
655.33557	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	656.365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12952	0.3
54.66478	0.3
59.01382	1.9
61.98834	100.0
69.87362	0.6
78.69055	0.3
78.95920	1.0
86.41147	0.3
97.91507	0.3
109.06554	0.3
112.92911	0.4
141.01743	0.6
145.02997	0.7
152.99635	0.7
209.11914	1.1
211.13443	0.6
270.25974	0.3
363.12042	0.4
524.17944	0.3
631.16095	0.4
656.36230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50388	0.3
53.84910	0.3
55.06117	0.4
58.08083	0.3
59.01370	0.3
59.08290	0.3
61.98835	100.0
69.83535	1.3
78.95940	0.8
84.14356	0.3
121.02962	0.7
167.72543	0.3
172.81664	0.4
197.97060	0.4
209.11905	1.0
211.13496	1.3
297.71338	0.4
368.77927	0.4
656.34045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87965	0.2
59.01382	0.3
61.98833	100.0
78.95909	0.6
81.99552	0.3
99.29869	0.3
147.46344	0.2
152.99643	0.4
209.11903	0.6
211.13496	0.5
358.23285	0.3
452.64398	0.3
562.39160	0.3
656.33057	0.3
656.55933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68112	0.2
56.90012	0.2
59.01381	0.3
61.98833	100.0
78.95901	0.7
105.39542	0.2
152.99716	0.4
179.63475	0.2
209.11890	0.5
211.13483	0.4
235.16431	0.3
410.61206	0.3
548.50476	0.2
656.33716	0.4
688.52277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93801	0.6
57.03461	0.8
59.01389	8.1
60.78370	0.6
61.98836	1.7
69.03461	0.7
69.14413	1.5
69.14821	2.2
70.94623	0.6
71.01385	5.4
71.05040	0.5
80.02682	0.9
80.65282	0.6
81.03464	2.0
83.01382	1.2
83.05038	3.9
84.02186	0.8
85.02947	1.5
85.07662	0.7
87.00918	0.8
89.02466	3.3
95.05005	1.7
97.02949	1.3
97.06606	2.1
100.93392	0.9
101.02444	4.9
102.02457	0.5
107.01405	0.7
109.06606	6.3
113.02489	3.0
115.92110	0.6
119.03497	1.2
121.78984	0.6
123.00912	1.7
124.01685	1.6
125.02446	5.3
125.06043	0.7
135.08165	1.3
143.03494	0.6
145.05058	1.0
151.00327	0.7
151.11313	5.1
161.04593	1.9
161.09789	0.7
163.11270	7.4
165.12871	2.3
168.00603	0.8
169.01450	4.5
169.12361	24.8
170.12662	1.0
171.10277	2.4
171.14023	0.6
179.05679	0.7
181.12350	2.0
182.17540	0.6
183.13875	5.5
191.10890	0.9
193.12369	1.4
194.00700	0.6
199.13483	0.8
207.10281	12.2
209.11850	100.0
210.12192	3.0
211.13419	94.5
212.13742	2.8
213.11292	3.7
225.11357	6.5
226.11679	0.7
227.12915	18.6
235.08231	3.5
240.50746	0.6
242.76189	0.6
249.14992	2.1
253.09312	12.5
389.81879	0.6
407.77908	0.6
431.18915	1.0
445.20810	1.6
447.22440	3.1
449.20425	2.7
461.20578	1.4
463.21777	1.0
487.20096	0.8
505.20883	1.7
621.32117	1.1
639.31091	3.0
654.90796	0.7
657.21661	11.3
657.31427	39.2
658.21960	1.7
658.32031	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
57.03440	1.6
59.01385	48.6
69.03445	0.9
71.01389	24.1
72.99323	0.7
80.55412	0.6
83.01380	1.8
83.05053	3.2
85.02959	7.6
87.00884	1.3
89.02457	20.4
95.01391	2.1
97.02969	1.0
98.22677	1.9
99.00932	0.7
99.04540	0.7
101.02461	12.9
113.01722	0.8
113.02470	7.5
119.03526	7.0
125.06086	0.8
131.03491	0.6
159.10294	2.6
179.05621	0.9
201.12860	1.3
213.12859	0.9
219.13907	0.9
223.06133	0.7
227.14400	0.7
229.12289	2.8
243.13937	1.0
245.15474	2.4
247.13454	1.2
249.15115	1.0
273.15430	0.7
281.15524	1.0
299.16434	1.0
317.17603	3.7
335.18805	1.9
372.99799	0.6
459.27710	1.1
477.28729	4.7
495.29718	3.1
506.62112	0.7
602.20782	0.6
639.33942	11.5
640.34583	1.1
657.34979	100.0
658.35211	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	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26111	0.3
59.01379	3.2
59.73162	0.2
61.98826	0.2
64.64539	0.3
69.03472	0.4
71.00517	0.3
71.01382	2.0
72.62968	0.3
73.02975	0.5
80.02676	1.3
81.03468	1.0
83.01395	0.5
83.05031	4.3
84.02177	0.7
85.02942	0.5
89.02454	1.9
93.03458	0.3
95.04996	0.7
98.22701	0.5
101.02451	2.0
113.02451	1.2
119.03526	0.6
133.05060	0.3
138.02669	0.3
161.04591	0.8
163.11304	3.2
165.12830	2.5
171.10252	1.2
179.05582	0.6
181.12254	0.4
183.13925	4.2
191.10785	0.8
193.12318	1.0
209.11836	100.0
210.12140	2.5
211.13400	63.5
212.13765	1.4
227.12894	13.4
228.92766	0.3
235.08206	2.4
249.14996	1.0
253.09297	8.5
369.55859	0.3
403.24683	0.6
445.20758	1.2
447.22421	1.4
590.56909	0.3
621.33289	0.8
639.33600	0.5
645.61682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
60.68499	0.4
69.14211	0.7
69.14621	1.8
71.01389	2.8
73.02954	0.7
73.81846	0.3
80.02677	1.3
81.03463	1.3
83.01403	0.9
83.05030	4.5
84.02166	1.2
85.02946	0.7
87.00862	0.5
89.02450	2.5
91.36990	0.4
95.01350	0.4
95.05016	0.7
101.02456	2.6
105.89197	0.4
108.09579	0.4
109.06666	0.4
112.39874	0.4
113.02466	1.5
135.08150	0.5
147.11853	0.5
152.81126	0.4
161.04587	1.0
163.11313	3.8
165.12900	2.8
167.14441	0.7
171.10286	2.0
179.05695	0.5
181.12378	1.0
183.13936	6.4
191.10756	0.8
193.12329	1.4
197.11978	0.5
207.10355	0.5
209.11850	98.0
210.12146	2.4
211.13416	100.0
212.13731	3.5
227.12895	14.5
235.08261	3.7
249.14948	0.9
253.09293	9.1
403.24677	0.6
429.21323	0.4
445.20810	1.1
447.22299	3.5
584.04175	0.5
621.32599	0.8
639.33392	0.9
657.33960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44417	0.2
59.01398	0.3
61.98835	100.0
67.51418	0.2
72.09464	0.2
78.95930	0.9
83.54282	0.2
98.22728	0.3
109.72367	0.2
133.71408	0.2
152.99609	0.3
197.11856	0.2
209.11948	0.4
211.13493	0.3
223.97461	0.2
658.35321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00832	0.4
54.22322	0.3
59.01382	69.4
76.34684	0.3
90.02789	0.3
98.21797	0.6
109.57732	0.4
118.28515	0.4
132.98180	1.8
134.81436	0.3
150.94839	0.7
157.03590	2.0
159.01495	0.7
174.99265	29.1
175.99516	0.5
176.98178	0.5
184.35609	0.3
192.95888	5.1
201.02557	16.8
202.02771	1.0
217.00304	100.0
218.00658	1.5
296.99875	0.3
343.03812	1.7
350.63718	0.3
359.01474	33.0
360.01572	2.8
374.99228	52.8
375.99561	2.0
464.30774	0.3
517.00507	8.1
518.00696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50931	0.9
59.01379	1.8
60.99316	13.5
69.40969	1.8
69.41374	3.4
71.01397	2.7
88.98817	65.3
95.01415	1.1
96.96005	1.2
99.92602	5.6
105.50927	0.9
107.01418	3.8
116.92874	45.0
117.92866	1.8
121.02972	1.2
123.00917	10.3
124.01687	6.7
124.40343	0.9
125.02470	13.8
136.98874	1.1
137.02470	1.0
139.00375	3.0
139.03989	1.1
140.01199	2.2
141.01932	2.8
149.30823	0.9
151.00371	6.8
166.06345	8.8
167.81412	1.0
168.00684	6.2
169.01445	19.6
181.08754	4.1
183.02985	3.6
211.02557	3.6
225.04144	2.3
285.06381	1.3
301.00098	1.8
313.05652	2.1
387.09317	3.2
506.04428	1.0
523.48578	1.1
554.93701	1.1
569.18811	100.0
570.19159	6.5
602.75806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98846	1.1
57.03437	2.1
58.00592	1.3
59.01383	11.9
61.98834	1.8
69.89948	1.1
71.01392	8.3
71.24001	0.9
73.02949	2.1
76.76219	1.0
83.05031	5.2
85.02959	2.2
89.02450	5.1
95.05057	1.7
96.73692	1.2
97.06589	3.1
99.00863	2.0
101.02428	6.9
109.06596	1.6
113.02460	3.5
119.03541	1.6
125.02446	1.3
125.09734	3.1
135.08163	1.9
138.01982	1.8
143.03494	1.1
151.11316	16.5
153.09297	1.1
161.04546	1.9
163.11259	5.4
165.12846	2.6
169.01476	2.2
169.12355	95.7
170.12656	2.4
171.10298	10.8
181.12398	3.0
183.13919	1.8
185.11830	4.1
194.12839	1.0
195.10289	2.2
197.11848	11.5
199.13396	3.5
207.10257	6.2
209.11852	67.4
210.12231	3.7
211.02435	1.7
211.13509	2.4
212.13747	2.1
213.11337	19.5
225.11354	8.1
227.12964	14.8
235.08257	3.5
243.12254	3.5
253.09320	8.0
271.04599	2.3
331.06503	1.4
355.09256	1.6
366.18420	1.4
431.19354	4.8
449.20206	15.2
461.19864	1.5
484.20810	3.6
485.15610	1.3
490.52145	1.2
504.17725	2.4
641.32312	6.8
659.32971	100.0
660.33606	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	659.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56374	0.4
57.03448	1.9
59.01387	9.2
64.42744	0.4
65.32734	0.4
70.36581	1.0
71.01385	6.0
73.02959	1.6
80.02692	1.4
81.03460	1.8
83.01406	1.0
83.05034	6.5
84.02184	1.2
85.02945	2.3
87.00870	1.6
89.02439	2.8
95.05049	2.2
97.02979	0.5
97.06594	7.3
97.24220	0.4
99.00880	0.5
101.02460	5.4
109.06532	0.7
113.02470	3.2
119.03516	1.6
125.06141	0.7
125.09774	0.8
133.10234	1.1
135.08170	1.1
145.05090	1.4
149.09726	1.1
151.10085	1.0
151.11299	20.9
152.07187	0.8
152.11690	0.8
161.04572	1.6
163.11287	4.4
165.12877	3.3
169.12354	69.3
170.12724	2.2
171.10217	1.2
179.05481	0.6
181.12448	1.2
185.11906	0.7
191.10796	1.4
195.10255	5.0
197.11844	1.0
209.11847	96.5
210.12189	4.6
211.13376	1.0
213.11339	10.4
225.11427	0.9
227.12917	11.0
228.13290	0.8
235.08179	2.6
253.09319	7.1
431.19229	3.9
445.21237	0.7
449.20389	6.2
585.23834	0.6
641.31830	3.8
659.32916	100.0
660.33240	10.3
675.71124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.1
60.01223	2.1
60.13081	1.9
61.98829	8.5
66.92949	1.6
71.01385	5.0
72.26126	1.7
80.07719	1.7
83.05036	4.6
85.02966	2.2
89.02430	2.8
101.02458	7.5
113.02429	2.3
116.92862	3.6
125.02454	4.5
161.04628	2.2
163.11295	3.3
165.12854	4.0
169.01509	3.6
169.12384	6.1
171.10287	95.3
172.10599	4.0
197.11864	4.7
201.11253	2.1
209.11847	100.0
210.12184	8.5
211.13467	3.7
213.11307	3.8
227.12903	17.0
235.08200	4.3
253.09268	7.7
289.07251	1.9
306.75613	2.0
407.19034	3.1
624.27704	3.2
660.33997	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	661.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
57.94893	0.5
61.47078	0.5
63.02402	2.0
64.27551	0.6
65.00333	4.9
69.94170	1.1
69.94539	1.3
73.84005	0.5
83.01398	7.7
83.05019	0.6
93.03499	0.8
95.01418	0.5
97.02944	0.6
107.01398	8.9
109.02973	3.6
118.98104	0.6
119.01389	0.6
121.02969	1.1
123.00915	1.7
124.01685	1.6
125.02465	16.6
128.99629	0.5
137.02467	3.5
138.03247	8.6
139.04027	10.3
140.45854	0.6
147.00842	2.6
151.00389	43.1
152.01199	2.5
153.01955	24.9
157.03087	0.5
159.04541	0.7
159.81395	0.5
163.00456	0.7
165.01982	3.3
166.02824	0.6
167.03510	1.9
169.01477	2.8
169.68509	0.6
175.00394	5.3
176.01146	2.2
177.01910	2.9
178.99879	43.0
181.01440	10.8
185.02388	1.0
189.02074	0.9
190.02748	1.1
191.03514	3.4
193.01433	24.3
194.01726	0.8
200.98067	10.6
203.03459	0.9
204.04109	0.9
205.05159	0.6
212.33429	0.6
213.01912	0.6
215.03557	1.6
229.01297	1.2
239.03630	0.8
255.02864	1.0
256.03827	0.6
257.00909	0.9
257.04575	1.0
275.02014	2.2
279.02921	0.6
294.81702	0.6
297.03806	1.1
300.99939	6.1
301.03619	2.4
313.03387	3.6
319.04398	3.2
323.01730	5.0
341.02814	100.0
342.03052	3.8
377.02161	0.7
407.13824	0.6
498.53836	0.8
593.19733	0.6
661.10858	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	661.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08921	1.0
59.01365	7.8
69.03442	1.7
69.15974	4.8
71.01400	4.3
79.01906	1.2
81.03465	1.8
85.02968	1.2
87.00879	1.2
88.98810	1.4
95.01405	3.2
96.05176	1.2
96.96032	2.7
97.02948	1.8
101.02467	2.6
106.99556	1.0
107.01434	6.2
109.02980	1.4
111.00916	2.4
113.02449	1.5
116.92895	2.7
120.02196	2.7
121.02956	33.0
123.00874	11.4
123.04522	1.8
124.01678	12.7
125.02460	46.2
135.04536	1.7
136.98793	1.6
137.02521	2.3
139.00391	4.4
140.01170	3.1
141.01982	2.3
145.01431	1.8
145.02982	1.5
147.04573	4.0
150.03209	5.2
151.00394	4.8
151.03993	2.7
152.75900	1.2
153.02002	1.9
161.02469	2.4
163.04056	1.2
165.01965	1.4
165.05623	4.5
166.99901	2.0
167.03534	1.0
167.54164	1.0
168.00645	12.9
169.01437	60.1
170.01840	1.3
179.03499	2.3
181.05197	1.4
183.02989	4.2
185.02449	1.2
193.01500	2.5
195.06659	1.8
201.01941	2.1
203.03709	1.2
207.01260	1.8
207.06596	2.5
209.04581	27.4
209.11794	1.9
211.02548	4.9
225.04140	1.4
225.07654	1.6
229.01399	4.1
231.02965	1.8
247.02570	1.4
249.04092	1.6
257.00952	3.2
263.02377	1.3
271.04691	1.9
275.02094	7.6
295.04431	1.6
297.06085	2.1
299.99124	1.5
300.99939	41.5
302.00552	2.0
303.01212	1.9
303.08942	2.1
313.05673	9.8
461.11017	1.6
479.11871	5.9
509.12961	7.1
537.73175	1.2
631.13837	2.4
661.14227	100.0
662.14258	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	661.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75676	5.4
59.01383	100.0
59.14428	4.6
61.98823	24.0
62.41115	5.5
68.02537	13.1
68.34396	5.8
68.99858	5.9
71.01389	78.8
73.02951	34.3
83.01381	12.7
85.02973	25.1
87.00874	8.5
87.04531	9.2
89.02462	60.5
93.38605	5.2
95.01411	5.3
97.02952	18.7
101.02451	71.9
107.01438	9.1
113.02477	29.9
119.03509	21.0
120.08160	6.6
125.02433	21.0
126.99574	25.7
131.03508	7.9
136.07719	7.6
143.03491	12.9
161.04591	65.5
169.01419	21.8
171.10295	34.6
172.10587	6.5
179.05615	48.7
186.12241	5.7
197.11862	73.8
199.09816	6.9
201.11328	52.4
209.11821	67.2
210.12184	12.0
219.79158	6.0
221.06647	11.1
223.09782	11.4
225.11389	6.7
227.12901	13.9
229.86333	5.1
253.09212	15.8
263.07779	13.7
307.94434	6.2
315.53015	6.7
320.13385	5.8
337.23727	12.4
359.69016	6.3
433.20746	6.9
504.21109	6.9
618.20551	52.8
629.25745	18.7
661.36633	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2148
Annotation	BK 223B
Peak:m/z	Relative Intensity
50.14761	1.1
59.01386	17.7
67.01921	1.9
69.03453	1.9
69.13832	7.0
71.01392	10.3
75.41216	1.0
79.01906	3.0
83.01401	1.4
87.00925	1.1
89.02462	10.4
89.22980	1.0
95.01407	4.0
97.02957	2.4
101.02476	1.9
107.01421	12.0
108.02230	1.2
111.00912	2.9
113.02457	2.1
117.03478	1.2
121.02978	4.7
123.00909	31.3
123.04575	1.6
124.01687	20.0
125.02469	45.5
127.00388	1.6
131.03552	1.3
136.98810	1.6
137.02449	1.6
138.03209	2.1
139.00417	6.2
139.04015	1.4
140.01186	7.6
141.01961	4.2
145.03023	1.4
149.02567	1.2
149.04590	3.7
150.03285	1.4
151.00383	20.5
152.01149	1.0
153.02028	1.2
162.03256	18.7
163.04005	2.0
165.01950	2.2
166.06364	8.7
166.99863	2.8
168.00676	14.0
169.01448	66.5
170.01823	1.7
177.05577	14.4
177.06857	1.3
180.04312	2.2
181.01479	1.3
181.08682	2.5
183.02998	3.5
195.06635	4.9
205.08606	1.2
211.02556	5.0
225.03841	1.2
241.03624	4.5
271.04803	1.9
281.90750	1.0
299.04034	1.3
301.00089	1.7
301.05615	8.8
313.05859	2.0
316.99152	1.3
335.97940	1.2
350.58792	1.1
351.10773	1.4
441.72461	1.0
462.11755	25.4
479.12027	2.2
509.12939	6.5
509.20071	1.6
661.21680	100.0
661.33240	10.5
662.21790	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	661.2145
Annotation	BK 223B
Peak:m/z	Relative Intensity
51.52959	0.8
58.00567	0.8
59.01384	14.2
61.98822	1.4
67.01895	1.8
67.09420	0.7
69.03458	1.3
69.29901	1.5
69.30305	2.4
71.01381	6.0
73.94556	0.7
79.01897	2.0
82.00594	1.2
88.78930	0.7
89.02454	3.1
94.94471	0.8
95.01398	7.2
97.02965	1.5
98.22596	1.8
107.01392	1.1
107.71388	0.7
108.02168	1.8
111.00857	1.8
112.93686	0.8
113.02484	0.8
123.00896	36.1
123.04542	1.0
124.01672	14.4
124.94965	0.8
125.02474	14.3
134.03699	0.8
135.04524	0.9
136.98863	1.2
137.02458	2.7
138.03189	1.0
139.00368	7.8
139.04025	1.6
140.01125	3.4
141.01999	4.6
145.02931	2.3
149.02390	0.9
150.03230	0.9
151.00317	0.9
153.01962	1.2
161.02525	1.3
162.03252	18.5
162.28883	0.7
163.04056	4.0
166.99883	16.4
168.00659	8.1
169.01447	22.2
175.10365	0.7
177.05551	4.5
180.00641	0.9
181.01402	0.9
182.02298	0.9
183.03036	3.7
194.99377	2.0
195.03004	1.7
242.05835	1.4
289.07260	1.4
302.08057	1.4
303.08774	2.0
314.07968	3.4
317.06668	9.3
318.07376	9.3
331.08292	9.3
332.09039	51.3
333.09769	15.0
344.08957	1.5
347.11368	6.5
359.11371	1.0
387.10892	13.6
493.15155	36.0
494.15378	2.0
643.20447	7.9
644.20258	1.9
661.21454	100.0
662.21722	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	661.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.6
61.98835	28.3
73.33974	10.4
79.91988	10.9
87.00923	12.0
89.02451	15.9
95.01398	25.1
96.96040	25.4
101.62324	11.1
107.01388	17.6
116.92868	11.9
121.03041	17.2
123.00909	45.9
124.01730	20.1
125.02467	78.4
128.89417	11.8
133.92691	11.2
151.00471	11.0
165.02014	14.6
166.99879	50.7
169.01460	100.0
225.07733	14.6
276.04391	11.6
300.99777	21.5
367.58261	11.6
390.82672	11.7
661.22424	31.6
661.33276	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14502	17.7
61.98829	86.0
62.64959	17.9
62.81805	19.7
63.29360	22.8
67.04266	18.1
90.52089	16.1
113.06093	32.2
125.09772	33.2
148.26112	18.7
163.33315	18.0
170.22707	19.4
193.05066	35.5
199.09836	52.9
209.11819	100.0
223.13400	49.0
383.36642	21.9
384.93835	19.0
471.34970	56.9
617.37122	28.4
661.36481	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.7
61.98833	4.3
69.55385	8.9
76.74686	2.7
79.86813	2.8
81.03486	4.2
83.05031	5.5
84.54159	3.4
85.70518	3.1
90.28786	2.9
97.06560	4.1
109.06568	6.0
118.81448	3.0
123.05363	3.3
125.09688	3.8
127.64749	3.2
135.08115	3.5
146.38960	3.3
153.09254	6.3
163.11269	6.3
163.65610	3.3
171.10350	5.2
185.11848	6.3
197.88579	2.7
200.27486	2.6
201.11365	5.8
207.10318	22.5
209.11850	100.0
223.23503	3.1
225.11295	10.5
227.12907	10.4
289.18076	3.5
305.17612	23.5
307.19156	8.9
323.18634	3.2
325.19891	4.1
342.09763	3.4
372.52051	3.2
379.21609	3.7
396.87619	3.0
487.33899	5.9
538.27728	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3367
Annotation	Gnidilatimonoein
Peak:m/z	Relative Intensity
51.47608	0.8
59.01367	3.5
69.33423	4.6
71.01375	2.4
90.86577	0.8
113.02422	1.2
119.03451	1.0
123.00869	1.0
125.02431	2.0
169.01477	2.6
300.99747	1.1
463.30408	1.0
495.22070	0.9
527.56390	0.8
617.25690	0.9
625.35986	18.6
626.36664	2.0
661.21887	3.3
661.33618	100.0
662.34070	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	662.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
59.21498	3.8
61.98839	33.3
71.01370	4.1
72.99320	5.5
81.30373	3.9
87.49165	3.6
107.01387	27.4
110.11158	3.6
123.00929	10.3
125.02459	60.9
151.00333	5.3
169.01434	88.8
299.60144	4.1
336.41772	4.0
346.92047	4.0
599.23535	100.0
600.23865	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23925	1.1
53.06300	1.1
59.01385	14.9
61.98822	3.5
63.61181	1.0
71.01381	11.4
73.02948	1.4
83.01409	1.1
85.02940	2.8
87.00861	1.9
89.02453	6.7
96.96004	1.5
101.02474	7.2
108.02228	1.2
113.02438	5.7
119.03511	2.9
123.00907	2.4
124.01641	2.2
125.02426	3.5
142.13885	1.2
155.26027	0.9
169.01469	6.3
171.10384	1.2
201.11417	1.3
209.11926	1.5
253.09492	1.2
274.12061	2.0
300.99957	2.8
302.63376	1.0
325.68018	1.0
336.10208	1.7
415.24826	4.6
457.25824	2.9
601.30560	2.0
619.31317	100.0
620.31641	8.7
662.18530	1.5
662.20282	1.6
662.32166	11.0
663.20062	1.4
663.33252	1.8
665.76459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94746	0.3
56.80724	0.3
59.01381	0.3
69.03465	1.7
71.01391	1.4
72.99306	1.5
74.53501	0.3
79.01898	0.9
80.19000	0.4
81.03469	2.1
83.01400	0.5
85.02960	0.7
87.00900	0.5
95.01398	0.9
95.20317	0.4
96.35635	0.3
97.02968	2.6
98.22606	1.0
101.02445	1.0
107.01387	6.7
109.02991	0.5
110.67275	0.3
111.00896	0.7
113.02455	0.7
119.05035	0.6
121.02989	1.5
123.00896	5.5
124.01681	5.2
125.02457	70.9
126.02806	1.0
127.00449	0.4
136.98813	0.7
137.02449	0.9
139.00378	1.2
139.04050	0.7
139.38669	0.4
140.01201	0.9
141.01938	0.8
147.04512	0.6
149.02454	0.5
151.00395	2.4
153.01912	0.5
153.05577	1.1
156.45766	0.3
161.02399	0.5
165.01938	0.7
166.99815	0.8
167.03500	0.5
168.00670	3.3
169.01439	100.0
170.01750	2.2
177.01909	0.4
179.03526	0.8
182.02235	0.5
183.02965	2.1
191.03647	1.6
192.04306	0.4
193.01443	0.9
193.05040	0.8
197.04539	2.2
205.01424	0.8
211.02533	2.0
221.04575	7.6
225.03996	0.6
241.03642	0.4
271.04584	0.4
295.04666	2.4
313.05682	6.7
394.25922	0.4
465.06717	10.6
479.08258	1.3
483.07718	0.7
493.10004	5.1
511.10635	0.8
662.33154	0.5
663.12079	28.5
663.33893	1.4
664.12634	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	663.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32392	0.9
55.01880	1.1
55.27874	1.0
57.03453	2.0
59.01382	7.7
59.07014	0.9
62.88397	1.0
63.37498	0.9
63.63848	1.0
71.01389	11.0
71.40376	1.1
72.99315	3.9
80.45966	1.0
83.01403	8.4
83.26328	1.2
83.71620	1.0
89.02460	1.7
99.00894	21.9
101.02467	3.8
114.99564	2.1
115.00381	30.8
117.01965	10.8
125.02460	2.1
129.29074	1.0
133.01448	100.0
134.01747	1.4
134.03778	2.4
135.04539	31.9
143.80330	1.0
145.01447	94.4
146.01814	1.5
149.06085	1.5
150.97372	1.0
163.02457	1.6
168.17352	1.1
169.01399	1.3
179.03511	32.6
187.02504	7.4
205.03554	74.5
206.03831	1.2
225.63545	1.3
295.04541	2.8
307.04688	3.6
367.06689	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	663.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04527	1.3
56.76143	1.2
58.13811	1.4
61.98818	3.3
80.16802	1.3
86.27972	1.5
92.45530	1.3
98.47311	1.3
114.46849	1.3
132.02188	11.5
133.02965	6.7
134.03752	4.6
160.01671	61.2
175.04022	76.6
176.04378	3.0
177.02002	2.0
193.05104	4.6
280.90436	1.4
408.75748	1.6
455.31622	2.2
663.39069	100.0
664.39331	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	663.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00275	0.9
52.95225	1.2
56.63837	1.0
61.98834	1.7
78.57560	1.0
81.68820	0.9
98.22688	2.5
123.96148	1.2
132.02176	15.8
132.44901	1.2
133.03009	7.3
134.03731	4.8
142.92924	1.1
160.01674	73.3
166.34360	1.1
169.01497	1.3
175.04018	87.1
176.04384	1.9
193.05019	4.7
275.77835	1.0
461.60364	1.2
461.71030	1.2
663.39056	100.0
664.39258	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	664.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
62.16248	0.4
63.58978	0.4
69.21889	2.5
71.01373	0.6
75.22686	0.4
85.02991	0.7
87.00883	100.0
88.01225	0.9
107.75311	0.4
113.02469	0.8
114.09254	0.8
116.99983	0.4
123.00893	3.2
124.01685	1.5
125.02441	3.3
140.10854	2.1
142.08727	2.0
142.12436	0.5
145.01454	0.9
151.00385	2.6
168.10327	2.7
169.01422	4.8
205.03557	0.6
230.10339	59.3
231.10692	1.6
301.00021	1.2
301.99942	0.6
367.72751	0.5
433.13538	34.1
434.13745	1.8
637.90460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62180	0.6
55.79088	0.7
71.01400	0.7
71.01813	0.5
86.35830	0.6
95.01383	0.9
98.21886	1.6
98.63268	0.6
107.01382	2.2
117.03510	0.9
119.05033	0.9
123.00868	3.1
124.01623	1.0
125.02464	11.4
129.03444	0.9
140.12837	0.6
145.02950	1.7
147.04559	1.8
157.02977	1.6
159.04559	1.4
161.02428	0.8
163.04016	1.3
169.01430	9.0
173.02391	2.0
175.04041	2.7
177.01904	0.9
179.03535	0.7
185.02405	3.8
187.00520	0.6
187.04070	1.2
189.01942	1.4
190.02736	1.2
191.03543	2.3
201.01917	4.2
203.03542	9.7
203.67117	0.6
213.01886	2.3
217.01511	0.8
219.03001	1.7
229.01427	12.1
231.02985	5.9
239.05537	0.9
245.00925	2.2
247.02475	1.3
249.04066	10.5
252.55275	0.6
257.00919	10.9
258.01651	5.0
271.04721	1.7
273.00378	2.2
274.01218	2.9
275.01990	69.9
276.02213	1.7
283.99667	2.7
290.00735	0.6
299.99060	3.1
300.99915	100.0
302.00189	2.1
319.00940	2.2
359.04089	0.7
416.78366	0.7
463.05215	1.0
573.05347	1.3
578.65265	0.6
633.07379	33.6
634.07678	1.6
665.10162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74641	0.8
56.34682	0.8
59.01372	0.9
71.40349	0.9
85.66394	1.0
87.00893	2.7
88.80938	0.9
90.13390	1.0
96.96028	1.1
106.04262	1.3
107.01376	1.1
107.05050	11.0
111.00964	1.1
117.03558	1.1
119.47540	1.0
121.02982	2.0
125.02466	7.1
133.03012	1.0
133.06621	6.2
149.06126	17.0
150.34291	1.1
153.82857	1.0
161.02463	1.4
163.04039	1.0
169.01498	6.7
177.05598	17.4
179.02045	1.9
179.03523	29.8
189.01944	1.6
195.06573	2.2
201.02049	1.2
203.03549	2.1
221.04379	1.3
229.01405	2.1
231.03101	1.5
239.05646	100.0
240.05911	2.6
249.04059	2.0
257.00977	1.3
258.01416	1.0
261.00412	2.4
275.01981	9.8
300.99933	17.5
313.05658	2.0
425.07434	4.7
426.10638	1.2
483.96094	1.0
633.07361	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	665.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39131	0.6
55.01887	1.2
57.03452	2.2
59.01379	11.2
71.01369	2.2
71.42558	0.7
72.99300	2.5
73.02976	0.7
75.00880	6.5
83.01385	7.7
88.17074	0.5
89.02457	1.5
96.96025	3.3
98.15051	0.6
99.00889	24.3
100.01216	0.9
101.02447	5.6
107.01374	0.7
117.01954	9.9
123.00900	1.7
125.02477	3.8
133.03009	0.9
134.03735	0.8
135.03006	26.8
135.04543	10.5
136.04842	0.8
138.57732	0.6
145.01439	100.0
161.02449	2.3
161.08250	3.8
163.02516	1.5
163.03870	0.6
168.00557	0.7
169.01453	5.8
179.03499	8.0
184.17589	0.6
187.02478	4.8
191.03493	0.9
195.30038	0.6
205.03546	74.0
206.03873	1.7
211.02560	0.7
249.04062	0.8
271.04510	0.6
275.01932	1.5
293.28479	0.7
297.06146	6.9
300.99933	2.1
307.04562	2.1
367.06659	2.0
375.46078	0.7
398.62262	0.7
417.13959	1.4
546.78082	0.7
585.14874	0.9
612.01117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26912	1.5
59.01365	2.1
69.92393	2.3
69.92724	2.2
71.01397	12.1
76.96156	1.3
98.22642	1.3
103.77474	1.3
107.01403	1.6
115.00387	6.1
119.05038	39.7
125.02431	4.3
133.01463	7.0
145.01474	1.7
163.04025	100.0
164.04362	2.6
165.01953	2.6
165.05675	1.8
169.01378	5.9
175.03897	1.9
179.11229	1.3
195.06589	3.0
219.03015	2.3
251.91197	1.2
260.60840	1.1
275.02145	1.9
279.05020	4.0
300.99759	3.3
332.23782	1.4
467.26169	1.4
588.57288	1.4
665.16040	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
57.18233	0.9
59.01383	42.6
61.98816	1.5
69.03470	2.1
71.01392	10.6
73.02941	4.2
77.39427	0.8
83.01390	1.3
85.02972	6.1
87.00877	1.8
89.02443	6.7
95.01416	1.5
96.96018	8.4
97.02905	1.4
98.21886	2.3
101.02424	7.8
107.01316	1.0
109.02969	2.2
113.02455	5.7
119.03481	1.9
119.63355	0.9
121.02939	3.8
123.00889	3.7
124.01602	2.0
125.02467	6.6
126.47594	0.8
135.04538	2.9
136.01674	45.7
137.02478	7.3
138.03307	1.2
139.03944	1.6
145.02922	1.4
147.04530	2.2
149.06136	1.0
151.00392	12.9
151.04018	51.0
152.01155	2.1
152.04346	1.3
157.92041	0.9
159.04573	1.5
160.05307	3.3
161.02475	1.0
161.04520	2.8
161.06041	1.1
162.03259	1.2
163.04039	2.4
165.01921	1.3
166.02722	34.1
167.03488	2.2
169.01463	6.2
172.05283	0.8
175.03987	5.3
175.07600	2.0
176.04807	2.0
177.01903	2.8
177.05513	1.7
181.05080	41.7
182.05356	1.3
188.04839	1.2
189.05615	2.3
190.06398	4.7
191.03505	3.1
192.04196	1.5
193.01381	1.2
195.06671	1.1
203.07271	1.2
205.05069	2.0
205.08679	2.2
206.05838	3.2
211.02551	1.2
219.06615	1.9
221.08168	3.7
233.08255	1.3
236.06836	1.4
270.98883	1.2
275.02032	1.6
299.16513	3.4
299.99155	2.2
300.99951	1.8
311.43875	0.9
317.17593	4.1
329.10574	1.5
335.23166	0.9
341.14032	1.0
342.11069	1.6
353.10922	0.9
354.10901	2.3
354.44336	1.0
357.09729	12.6
357.13489	6.9
369.13361	8.3
372.12134	10.1
387.14517	100.0
388.14877	7.0
461.18384	1.3
479.12851	1.0
503.18790	1.3
503.33737	5.8
513.20087	2.1
561.29083	1.6
575.21436	5.3
579.29980	1.6
587.21320	6.1
587.31592	1.8
593.23077	1.7
605.22345	29.4
605.33063	7.6
606.22968	3.6
621.40497	1.8
623.23767	18.8
623.34497	4.0
624.24243	1.9
635.23425	1.4
647.23608	1.2
647.33929	1.2
665.23901	7.3
665.35913	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	666.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37958	1.3
72.99308	4.4
85.95622	1.4
87.00918	1.5
88.74992	1.5
91.05531	5.0
94.76023	1.5
97.90395	1.3
106.61429	1.4
107.01402	16.0
107.05042	10.6
110.00114	1.7
120.44978	1.4
124.01678	12.5
124.43912	1.4
125.02462	42.0
131.05029	1.9
133.06592	6.2
135.04559	2.4
136.98849	2.1
139.00352	2.7
140.01192	2.3
140.12016	1.2
140.53241	1.5
149.06090	25.1
162.52864	1.3
163.04048	3.0
168.00592	3.5
169.01443	98.7
175.04036	1.9
177.05602	19.2
179.03511	29.6
195.06691	1.9
202.05231	3.5
215.78882	1.5
224.27074	1.5
239.05626	100.0
240.05975	3.9
300.99850	2.8
338.59811	1.4
395.96854	1.4
426.10455	82.0
427.10593	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	667.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.7
62.16034	1.3
63.02396	12.8
65.00322	10.1
80.89788	1.2
83.01391	11.5
86.83418	1.1
96.96023	3.3
98.44720	1.1
98.51748	1.4
106.58028	1.3
107.01407	20.6
125.02473	14.0
127.07831	1.2
137.02451	3.4
151.00386	56.4
152.01158	2.8
153.01942	3.5
159.04550	1.7
161.02466	2.2
163.00430	1.8
165.01990	3.2
169.01439	12.4
171.04602	3.0
173.06123	2.0
175.00403	1.9
175.04041	1.4
177.01892	3.7
178.99878	100.0
180.00198	2.2
181.01489	2.0
183.03006	8.0
183.04527	3.8
185.02457	1.5
187.04019	1.7
193.01469	7.4
198.03203	1.5
199.04086	6.9
201.05661	1.3
203.03487	2.2
205.01424	3.8
211.04106	4.3
213.02065	1.6
214.02734	2.8
215.03624	3.4
223.04007	1.2
227.03540	11.1
228.04333	1.9
229.01439	2.4
229.05002	1.6
230.02286	1.4
231.03062	3.4
239.03548	3.7
241.01471	1.3
241.05098	2.3
242.02281	2.8
243.03014	5.6
245.00957	1.5
253.01282	1.9
255.03008	10.2
256.03754	1.8
257.00839	1.3
257.04593	3.5
259.02521	11.0
260.03284	21.5
261.04022	23.6
265.01553	1.3
266.02066	1.7
267.03027	3.4
269.01086	1.7
271.02448	4.3
272.03186	1.5
273.03931	12.0
281.01102	1.2
281.04565	2.2
282.01761	1.9
283.02435	12.5
285.04065	5.1
287.01917	2.9
293.01001	1.5
295.02640	2.4
295.05991	2.1
297.00412	1.6
299.02023	6.6
301.03595	1.9
305.04678	1.7
309.00473	2.1
309.04031	3.4
311.02017	19.3
312.02637	2.4
313.03409	6.1
315.01596	4.8
317.03033	1.9
323.05573	2.8
325.03473	1.8
326.04041	1.6
327.01419	7.0
327.05188	4.1
329.03003	23.9
333.04086	1.8
335.04343	3.1
339.01440	2.6
345.04083	1.6
347.05441	2.3
351.05078	10.1
357.02808	1.8
360.02423	1.3
361.05353	1.5
363.01447	3.6
364.99255	3.4
365.06689	2.3
377.02859	1.7
379.04428	1.8
387.01428	1.9
391.04541	7.5
393.06238	8.3
401.02884	1.6
404.65790	1.3
418.03159	2.6
419.04077	19.5
429.02682	2.1
435.03696	2.3
437.05121	14.4
447.03561	3.4
451.02966	1.7
455.06216	5.3
473.01379	2.7
491.02670	3.9
492.03232	1.8
507.05698	4.5
509.03625	73.5
510.03876	9.9
531.05621	5.8
541.06281	3.4
555.05774	2.3
573.06866	11.3
574.07172	1.4
599.05005	7.1
617.05859	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82225	0.7
57.03450	4.2
59.01382	8.4
61.98832	12.4
63.02404	10.4
65.00330	5.0
69.72164	2.7
71.01375	2.7
73.02965	1.1
81.03542	0.8
83.01395	7.6
84.68636	0.8
85.02960	0.9
86.16826	0.7
89.02437	1.8
92.73329	0.8
95.01371	0.9
101.02425	1.3
107.01398	14.3
109.02952	0.9
113.02405	1.0
115.90713	0.8
123.00910	0.8
123.04537	1.3
124.01650	1.1
125.02452	17.1
125.05962	0.9
125.09725	0.8
136.01683	2.5
151.00381	38.4
151.03978	3.8
152.01149	1.3
153.01935	3.4
161.02419	0.7
163.00362	2.7
165.01958	1.2
167.03474	2.2
169.01442	9.0
177.01923	1.6
178.99867	100.0
180.00208	2.5
181.01413	2.0
185.02425	1.3
187.09790	2.3
189.01987	1.0
190.99919	1.6
193.01495	1.9
195.02995	3.1
213.01920	1.9
215.03490	1.6
227.03487	3.2
229.01466	1.4
229.05034	1.4
231.02956	1.5
233.23677	0.9
239.03639	1.1
241.01379	2.3
243.02921	2.4
247.17039	4.7
253.01512	1.0
254.02237	1.3
255.02979	4.2
257.04428	1.4
259.02426	0.8
267.02911	3.4
273.04257	1.0
278.02100	1.0
283.02451	3.4
284.03333	1.1
293.01001	1.9
309.04031	1.0
311.01987	2.6
317.04343	1.1
321.00351	3.0
329.03513	1.0
337.44342	0.7
343.04745	4.6
351.05124	0.9
357.13370	4.6
361.05875	7.2
377.02789	1.0
391.04550	2.6
393.06262	1.1
401.02899	1.6
409.06158	0.9
417.02420	1.3
419.03925	2.0
429.02072	1.0
435.03607	1.3
437.05246	1.8
445.02084	2.1
447.03662	6.3
451.06812	1.2
453.04871	1.0
455.06158	2.3
465.05396	1.0
467.06161	0.9
469.07526	2.0
473.01508	2.3
479.06339	0.9
491.02463	8.3
497.07187	0.9
505.04242	8.7
513.04803	0.8
523.05139	18.3
541.06305	7.5
553.03864	1.3
555.05463	2.0
569.07788	1.2
581.03711	3.2
587.08472	1.3
595.04901	1.1
599.05341	0.9
607.34985	2.8
613.06177	2.3
625.35791	1.6
626.03351	1.0
631.07581	3.0
649.08325	2.4
655.98438	1.0
667.09558	5.6
667.22156	2.4
667.36664	1.6
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
59.01390	1.2
62.86297	0.8
67.96221	0.7
69.95673	1.7
72.99305	2.6
83.29959	0.7
87.00892	2.2
91.05554	2.8
97.11480	0.7
107.01433	0.8
107.05049	8.9
115.05606	0.9
117.03439	1.0
119.05002	0.7
121.02963	1.4
123.86983	0.7
124.01672	1.5
125.02453	1.8
128.67871	0.7
131.58571	0.6
133.06613	5.4
135.04533	1.9
147.63466	0.7
149.06104	20.0
161.00496	0.6
163.02695	0.8
163.04034	2.4
168.00638	1.5
169.01489	4.5
177.05594	16.4
178.05956	0.9
179.03508	23.7
190.02859	0.6
195.06578	1.8
198.82822	0.7
202.02608	0.7
211.02480	6.3
221.04535	1.3
239.05624	100.0
240.05995	2.2
247.02536	1.0
259.44666	0.7
271.04617	10.7
301.00070	2.0
306.60632	0.7
331.06873	5.3
450.49713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08367	0.8
56.07061	0.9
59.01384	100.0
70.72473	1.1
71.00385	0.8
71.01391	15.3
73.02954	21.1
82.06499	0.9
83.01395	3.8
85.02956	3.1
89.02451	11.7
95.01370	1.6
96.96016	3.5
101.02447	20.4
109.38139	1.0
113.02444	7.2
119.03501	4.1
125.02476	3.1
127.07677	3.2
131.03552	1.0
143.03520	2.8
146.72540	0.8
149.04549	4.4
155.03493	1.1
161.04576	10.1
169.01459	1.9
171.06665	4.4
179.05594	2.0
221.06700	2.5
224.39697	0.9
247.11815	1.6
247.29411	1.0
289.13058	1.7
300.02731	1.3
300.99942	1.3
301.03452	1.2
676.48407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81075	0.9
57.03454	0.9
59.01380	20.7
61.98833	2.2
69.03442	4.1
69.21659	2.3
69.22063	4.0
71.01387	10.7
71.05022	1.5
73.02945	2.4
81.03445	2.9
83.01403	2.3
83.05028	2.8
85.02960	3.8
87.00858	3.0
89.02450	7.0
93.03465	1.5
95.05036	2.7
97.02951	6.7
97.06595	1.0
99.00864	1.8
101.02445	10.1
107.04993	1.2
109.06599	28.5
110.03741	1.7
113.02449	5.0
121.02969	1.4
121.06599	1.7
123.04511	1.0
125.02393	1.6
125.09705	2.8
135.08153	3.2
136.05280	1.8
141.09242	1.1
142.02740	1.2
142.62196	1.1
145.05013	1.7
149.09712	1.3
149.33534	1.0
150.32138	1.0
161.04573	2.6
161.09692	2.4
163.11302	17.4
167.10757	4.7
171.10246	1.3
171.24577	1.1
179.10799	2.9
179.14384	4.6
181.12325	4.6
182.24081	1.1
185.11845	2.3
195.13927	16.1
205.12311	11.9
207.10281	71.4
208.10545	1.8
209.11888	1.9
223.13409	100.0
224.13722	2.0
225.11337	33.8
225.14766	1.4
226.11664	1.9
233.15384	1.1
235.08269	6.7
237.14806	1.1
253.09280	11.0
263.12802	1.5
299.15094	1.9
325.21463	1.3
351.23306	2.9
367.22659	1.7
369.20535	2.1
377.21069	2.4
385.23901	4.9
387.21616	1.3
395.22354	7.5
403.24908	3.2
413.23358	18.9
431.24496	8.8
443.19217	4.4
459.22388	4.9
461.20343	10.6
487.27240	1.3
621.32697	2.8
630.00360	1.3
631.31165	6.1
649.32245	35.3
650.32568	1.4
667.33356	42.4
668.33868	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	667.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
57.03452	3.3
59.01385	100.0
61.98814	1.4
69.03458	1.9
69.03893	0.7
69.51881	2.2
69.52251	1.6
71.01388	37.4
73.02953	18.3
81.59517	0.7
83.01395	7.5
85.02956	23.6
87.00888	3.2
89.02457	15.6
95.01396	4.4
97.02979	1.7
99.00893	2.1
100.07264	0.8
101.02445	19.3
107.05026	0.8
113.02460	27.8
113.03262	1.4
119.03511	5.4
124.01716	0.8
125.02464	4.5
125.06091	1.1
131.03477	0.9
135.04504	0.8
143.03506	5.3
143.10786	1.9
161.04617	4.6
169.01434	2.3
179.05699	1.2
209.11867	0.8
221.11790	0.8
233.15506	1.3
245.15518	1.9
247.17046	1.1
263.16522	3.4
267.13751	1.1
283.17102	2.7
285.14801	1.1
287.15015	0.8
301.18201	7.9
319.15988	1.0
319.19196	5.5
371.75531	0.8
409.27435	1.1
427.28595	2.0
445.29581	8.3
463.19907	1.0
463.30612	8.7
465.28818	1.0
483.30002	5.9
525.30267	0.9
533.31140	1.4
545.54681	0.9
559.32776	1.5
571.33362	1.4
589.33917	6.3
607.34943	92.5
608.35223	8.5
621.32959	2.0
625.35980	43.0
626.36554	4.8
667.37482	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	667.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
55.40432	0.5
57.03457	3.3
59.01385	70.2
69.03465	1.0
69.28947	2.5
71.01389	25.6
72.65347	0.5
72.99326	0.6
73.02951	11.5
83.01398	4.6
83.05032	0.7
85.02958	20.1
86.03345	0.5
87.00900	1.5
89.02458	8.8
95.01408	3.9
95.56542	0.5
97.02962	1.0
97.06628	0.9
99.00916	1.4
101.02456	10.7
107.05043	2.2
109.06586	0.7
113.02460	17.9
119.03522	2.6
121.06589	0.7
124.01656	0.7
125.02491	1.6
125.06110	2.3
133.06592	0.6
135.08185	0.6
143.03476	2.6
143.10779	1.1
149.06097	1.1
161.04576	3.0
163.07608	0.7
175.07759	0.5
179.05734	0.8
179.07283	0.5
181.05339	0.5
183.06749	0.8
198.20100	0.4
200.67754	0.5
211.11476	0.6
227.14497	1.9
231.13879	1.0
233.15656	0.6
239.14485	0.6
245.15503	1.9
247.17064	1.0
250.12184	0.7
257.15460	0.9
263.16537	10.1
265.15976	0.7
267.13922	0.9
283.17041	1.3
285.15057	1.7
287.15198	0.6
301.18097	6.9
305.17740	0.5
305.73392	0.4
319.19199	4.2
343.17657	0.5
383.35992	0.5
427.28357	1.2
445.29578	5.2
446.29733	0.6
463.30673	7.4
464.31619	0.6
483.18405	0.9
559.32904	0.9
571.32581	0.9
589.33868	11.1
589.43225	0.7
590.34717	1.1
607.34924	100.0
608.35272	10.1
625.35913	31.5
626.36462	2.7
667.37048	11.3
668.37512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	95.1
63.81020	2.1
66.94030	2.0
71.01386	61.0
83.01421	2.5
85.02963	7.6
87.00891	4.9
89.02451	100.0
95.01395	4.6
97.64661	2.3
98.21897	4.8
101.02441	29.0
107.01368	3.0
113.02462	24.4
119.03510	38.2
121.04118	2.1
125.02464	9.1
129.50140	2.1
131.03577	3.0
132.61082	2.1
143.03500	10.3
149.04588	5.3
151.00394	4.2
161.04573	5.8
169.01497	6.5
178.99896	7.1
179.05629	27.6
180.00240	2.5
268.88885	2.4
298.66388	2.4
312.13715	2.5
560.90582	2.9
625.35876	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	668.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35518	0.7
55.01884	1.1
57.03441	1.9
59.01388	33.3
69.68124	2.8
69.68459	0.9
71.01389	18.6
73.02954	2.0
83.01389	1.5
85.02962	10.9
87.00884	1.3
89.02455	15.4
95.01403	2.0
99.00846	1.1
101.02456	12.2
107.05040	0.9
113.02454	7.4
119.03522	5.0
124.17225	0.7
125.02438	2.0
125.06100	1.3
169.01443	2.0
212.47238	0.7
224.61702	0.9
233.15681	0.8
235.88835	0.8
247.17023	1.1
263.16510	3.6
301.18088	3.0
319.19186	2.6
445.29724	2.3
463.30750	4.4
607.35059	4.7
608.35175	1.9
625.35986	100.0
626.36298	12.4
669.37567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.5
57.03445	3.3
59.01387	100.0
60.01709	2.4
61.63668	1.4
61.98833	5.9
64.73531	1.3
70.08302	1.3
71.01390	43.0
72.99313	1.6
73.02954	5.3
83.01398	2.9
83.05037	2.6
85.02958	11.1
87.00869	2.6
89.02451	41.0
90.02744	1.3
94.75819	1.1
95.01405	6.8
97.06593	1.3
98.21892	2.9
99.00879	1.5
101.02464	21.4
112.36018	1.3
113.02481	18.7
119.03519	19.3
123.00906	2.6
123.08188	1.6
124.01669	1.7
125.02456	3.7
126.17887	1.2
131.03526	1.4
132.21788	1.1
133.61862	1.1
135.04518	3.1
136.01657	2.7
142.66141	1.3
143.03549	2.5
151.04086	2.0
151.07683	2.7
159.10255	2.0
161.04587	5.1
169.01465	3.1
179.05637	13.2
212.48552	1.4
213.14952	4.2
221.11746	1.8
245.15550	2.1
263.16534	2.0
291.76248	1.5
300.99780	2.4
301.18124	2.2
302.18152	1.4
303.19568	3.6
341.27832	1.3
357.13416	3.0
445.29526	5.1
446.30743	2.5
446.73111	1.2
463.30701	2.1
518.22870	1.3
590.34229	1.9
607.35168	5.9
608.35254	21.1
609.36652	8.7
625.35968	85.6
626.36383	15.5
627.37476	1.9
632.31824	2.3
636.95605	1.4
668.24249	4.4
668.36523	2.1
669.18433	2.3
669.38739	5.0
694.67358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01382	24.2
61.98835	1.8
71.01387	17.8
71.05007	1.4
83.05032	14.0
87.04549	1.3
89.02454	18.7
95.01405	1.8
96.96025	4.0
98.21904	3.6
101.02441	9.4
107.01353	1.5
112.72948	1.2
113.02463	7.1
115.07698	1.8
119.03526	7.4
124.01638	1.2
125.02444	4.2
134.84613	1.3
151.00319	3.0
159.10255	11.6
161.04620	1.6
169.01448	3.0
174.58394	1.1
178.37439	1.1
178.99889	3.5
179.05638	4.9
231.49736	1.4
356.09378	1.2
360.84781	1.3
385.76990	1.2
465.25055	6.8
470.29230	1.4
504.25711	1.5
625.35986	100.0
626.35980	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	669.074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
61.23898	1.1
61.97349	1.2
63.02401	10.5
64.49856	1.1
65.00332	8.3
83.01386	9.2
85.34837	1.2
89.83728	1.3
107.01399	17.9
109.02933	3.0
115.22490	1.1
123.04535	1.5
125.02475	17.6
125.07855	1.1
127.83994	1.1
132.56628	1.3
137.02408	3.9
149.02399	1.2
151.00391	57.0
152.01132	2.7
153.01971	11.3
154.87218	1.1
157.80992	1.3
159.04567	1.6
163.00357	2.0
164.01250	1.3
165.01968	2.9
167.03410	1.9
168.57150	1.3
169.01439	12.5
173.06111	1.5
175.04012	1.2
177.01994	2.4
178.99881	100.0
180.00272	2.1
181.01451	8.6
183.03033	1.5
185.02362	1.5
185.06343	1.4
187.04109	1.8
191.03517	1.9
193.01424	6.1
199.04018	4.2
201.05428	1.4
203.03484	3.5
213.02042	1.6
215.03494	4.1
217.01181	1.1
217.05116	1.5
226.02939	1.4
227.03571	3.5
229.05139	1.8
231.02975	4.0
243.03023	4.1
255.02930	5.9
257.04535	3.3
258.01761	2.8
259.02432	6.7
269.01074	1.9
271.02554	3.6
273.04050	3.5
279.03186	1.8
279.06601	1.4
283.02554	8.8
285.00391	2.1
287.02029	4.1
289.03671	1.3
299.01962	14.8
301.03671	1.5
311.01868	2.8
315.01425	3.1
317.03088	3.8
333.03891	1.9
335.05493	2.8
349.03485	2.1
361.03488	1.5
363.04974	1.8
365.02863	1.6
379.04785	2.0
381.06168	3.3
389.02939	2.0
391.04523	4.5
395.03674	1.2
407.04034	4.0
409.05508	3.0
419.04086	4.6
421.02075	2.0
427.06085	1.6
431.72653	1.3
433.01993	1.6
435.03763	5.7
437.05008	1.2
451.02921	5.4
453.04514	1.9
463.03262	3.3
464.86047	1.4
481.03793	1.8
615.04492	2.6
633.05524	2.4
669.07269	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	669.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77459	2.4
52.83861	2.4
56.24781	2.3
59.01373	10.1
65.00330	4.0
70.60347	3.7
71.01373	2.9
77.03104	2.9
83.01397	4.9
85.38037	2.7
89.16605	2.3
95.01392	3.0
96.96018	3.9
99.00925	2.9
107.01415	5.7
115.99060	2.6
121.03004	2.6
123.00983	3.1
125.02439	13.0
137.02426	2.5
139.04027	3.1
147.00897	3.9
149.02463	9.0
151.00423	18.0
153.02000	3.5
153.99059	4.3
155.10834	7.5
167.03383	2.7
169.01407	15.9
173.08133	4.2
175.00429	18.5
178.99869	29.9
181.01509	4.8
193.01454	4.6
195.06580	3.1
201.02148	2.6
227.03510	3.1
230.02174	2.6
246.01616	7.0
255.02937	4.3
256.11969	2.8
258.01639	5.4
274.01233	9.1
275.02011	3.8
286.01260	3.7
300.99933	2.7
302.00723	23.8
303.01285	14.8
317.02899	4.7
330.00116	5.1
331.00894	4.6
345.02533	65.9
346.03391	17.2
360.04996	23.3
361.05612	21.5
390.39011	2.9
391.14023	3.2
421.03925	3.8
421.18698	9.0
455.87759	2.9
609.25787	9.2
631.40063	3.2
669.16827	100.0
670.17371	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	669.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63846	0.5
57.50829	0.6
59.01382	0.9
69.24247	2.1
69.24654	1.4
69.57188	0.8
71.01345	0.6
72.99307	1.5
87.00892	2.6
91.05542	2.0
99.77562	0.6
101.59109	0.7
106.04227	1.2
107.05047	8.9
121.02978	1.2
123.00948	0.7
125.02441	2.3
131.05009	0.9
133.06601	6.4
135.04552	1.4
149.06081	14.4
163.03989	1.0
168.00493	0.7
169.01413	2.2
177.05577	14.5
179.03511	24.1
193.28683	0.5
195.06671	2.7
211.02550	3.9
221.04536	1.5
226.28053	0.6
226.79517	0.6
239.05624	100.0
240.05992	2.6
271.04517	3.7
294.53122	0.7
384.10880	0.6
429.10416	5.2
535.12421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29146	0.9
65.05675	0.8
66.80950	0.7
69.05907	6.2
72.99321	2.4
74.24364	0.7
87.00883	2.3
87.29469	0.9
91.05540	2.4
106.04248	1.5
107.05031	9.2
114.67197	0.8
117.03501	0.9
125.02464	2.3
133.06615	5.5
135.04543	1.3
139.07669	0.8
149.06100	21.8
163.04036	0.9
169.01460	1.9
177.05588	14.9
179.03510	23.9
195.06653	1.7
196.93318	0.8
211.02545	2.9
239.05630	100.0
240.06013	2.4
271.04630	3.5
396.55804	1.1
429.10281	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	669.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
73.30206	1.1
87.00854	5.5
87.95362	1.2
91.05540	34.9
113.44554	1.2
116.68520	1.3
117.07085	6.1
123.00904	2.3
132.57867	1.3
133.06610	11.8
160.99557	1.1
161.06088	18.1
163.02710	2.3
163.04028	23.9
169.01486	2.8
175.71422	1.1
176.97498	1.2
179.07201	2.3
195.06723	1.3
205.05209	1.3
222.53145	1.1
222.83412	1.2
223.06126	100.0
224.06458	2.2
234.43141	1.2
292.51917	1.3
300.99951	1.7
382.66934	1.3
445.13068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35282	0.7
54.99587	0.7
57.03443	1.1
58.21802	0.7
59.01381	10.6
60.78725	0.7
61.98831	3.9
66.67524	0.6
69.03452	3.1
71.01376	6.3
71.05009	2.5
73.02927	1.3
83.05002	1.2
85.02966	2.5
87.00842	1.1
87.75370	0.6
89.02447	4.0
97.02965	1.1
97.06618	1.2
98.22781	0.8
101.02467	4.4
109.06582	2.1
111.04508	0.9
113.02464	2.2
119.03484	0.9
123.08131	1.1
125.09735	2.4
135.08138	0.9
146.06117	0.8
151.11298	2.5
153.12849	2.2
161.04651	0.9
161.09747	3.1
163.11331	1.5
171.10277	1.1
179.10783	5.8
197.11841	82.3
198.12099	2.3
207.10269	4.4
209.11845	47.0
210.12146	1.4
211.13387	1.4
223.09761	2.2
223.13387	5.7
225.11394	3.6
227.12877	1.5
241.10847	4.3
253.09361	4.3
333.96777	0.7
382.80569	0.7
459.18860	1.5
477.19876	2.8
485.82367	0.9
633.29858	0.9
651.30615	3.1
669.31335	100.0
670.31439	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	669.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03453	3.1
59.01386	34.5
61.98811	2.0
65.03978	1.3
69.03439	2.9
71.01013	1.8
71.01383	19.5
71.05008	1.3
72.99316	1.4
73.02939	4.0
78.50068	1.3
80.02669	2.7
81.03473	7.4
83.01392	3.1
83.05035	6.5
85.02941	5.1
87.00867	5.2
89.02441	8.8
93.03465	2.0
95.01397	2.2
95.05053	5.8
97.02965	9.7
97.06608	5.8
98.42418	1.2
99.00880	3.0
101.02446	13.3
106.04197	1.7
107.05052	2.2
108.02173	2.7
108.98016	1.4
109.02946	2.3
109.06603	44.0
110.03734	4.7
111.00931	1.1
111.04513	3.4
113.02460	9.9
113.06103	1.3
119.12035	1.1
121.03014	1.2
121.06588	4.9
123.04494	2.1
123.08189	6.6
123.21259	1.1
125.02423	3.5
125.09747	24.9
135.04517	1.2
135.08197	8.0
136.05295	2.3
142.02681	2.2
145.05067	1.8
148.05328	1.3
159.04523	1.6
161.04539	2.8
161.09752	5.5
163.10048	1.0
163.11304	28.9
165.09189	1.8
171.10251	6.0
173.09743	1.4
175.11282	5.6
179.10760	2.8
181.12326	5.2
185.11832	2.7
187.07626	1.0
187.08159	1.3
187.09756	9.5
189.09177	2.6
191.10709	3.3
193.12263	2.3
197.11850	2.2
199.13304	1.3
203.10727	3.5
205.08675	3.6
205.12383	1.8
207.10284	90.0
208.10617	1.8
209.11867	43.8
217.12422	1.9
219.10283	4.6
219.13950	2.4
221.11946	1.4
223.09828	8.6
223.13397	10.7
225.11348	50.4
226.11778	2.0
227.12869	6.8
229.12363	2.3
235.08183	4.5
235.13345	3.7
237.11305	4.1
245.11882	3.0
251.12973	1.5
253.09296	9.1
261.11356	2.0
263.12842	8.5
281.56128	1.2
283.20569	1.8
286.11725	1.5
317.21179	1.5
325.18204	2.0
325.21701	2.4
327.19586	2.9
343.19025	2.5
345.20505	4.6
353.17526	3.5
353.21310	2.3
361.20016	3.5
363.21603	2.0
369.20676	4.6
371.18555	5.2
371.22394	3.9
387.21661	6.1
389.19495	5.3
389.23917	1.9
397.20291	8.9
405.18011	2.1
405.22827	3.0
415.21237	28.0
433.22153	8.7
443.19232	3.6
461.20255	13.0
463.21597	1.4
489.24933	2.8
507.25671	2.8
597.29395	3.5
607.27594	19.9
608.27826	1.5
623.30542	3.8
625.28680	45.1
626.28802	4.3
633.29132	15.3
651.30243	100.0
652.30585	10.6
669.31287	45.4
670.31512	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	669.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57452	0.4
57.03447	0.9
59.01384	9.2
63.35794	0.4
63.39878	0.3
69.03472	2.1
69.14362	1.6
69.14770	0.8
71.01389	4.1
71.05046	0.9
73.02978	1.1
80.02713	1.1
80.07500	0.3
81.03466	1.8
81.05406	0.3
83.01402	1.0
83.05037	5.4
84.02193	1.1
85.02978	0.7
85.06616	0.6
87.00918	0.8
89.02446	2.9
93.37140	0.3
95.01402	0.6
95.05044	1.1
97.02939	0.4
97.06612	0.4
101.02457	3.6
109.06626	1.0
113.02440	2.1
119.03503	0.7
123.08188	0.5
125.06054	0.4
125.09724	0.8
135.08200	0.7
145.05135	0.5
147.11809	0.4
149.09752	0.7
161.04596	2.0
161.13391	0.7
163.11307	3.3
165.12831	2.4
167.10811	3.5
171.10283	2.1
177.12851	0.8
179.05672	0.6
179.10910	1.7
179.14445	4.3
181.12381	0.7
191.10741	0.8
195.13899	11.6
196.14319	0.6
198.32426	0.3
205.12341	10.5
206.12585	0.6
209.11847	97.3
210.12198	3.6
223.13405	100.0
224.13750	4.6
227.10655	0.7
227.12910	14.6
228.13248	1.0
235.08270	4.6
253.09300	10.5
261.14972	2.6
334.12970	0.4
388.80508	0.4
415.24701	0.8
441.21234	0.5
445.20825	0.7
459.16489	0.7
459.22418	9.9
460.22580	1.1
470.73730	0.4
482.45065	0.4
633.32483	1.1
651.33466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84870	1.6
59.01385	2.0
61.98834	18.8
64.01653	1.6
69.66718	4.2
78.95924	3.2
94.93162	1.9
98.22628	1.6
107.46116	2.2
109.06593	2.3
117.03450	15.8
119.05036	12.7
145.02962	58.1
149.52110	1.7
153.59868	1.7
163.04028	4.1
169.01558	1.8
171.10274	3.7
207.10280	2.1
209.11864	6.1
212.22591	2.0
221.01552	1.6
223.13380	2.4
225.11324	1.7
277.21912	2.7
301.03009	3.3
315.02625	2.5
315.52823	3.5
469.62949	1.8
513.32532	3.4
519.85376	1.9
628.09875	2.4
633.38031	100.0
634.38202	12.3
669.32935	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	669.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.2
59.17276	2.2
61.98833	18.4
71.40943	3.1
78.95925	7.1
95.01475	2.7
117.03484	21.4
119.05061	2.3
123.00966	4.1
125.02448	3.9
140.59105	2.2
145.02966	100.0
152.99670	3.8
155.28026	2.4
160.20174	1.9
163.04031	3.2
169.01456	4.7
171.10301	3.7
190.81685	2.0
197.11838	3.0
197.56209	2.3
201.92767	2.0
207.10298	4.7
209.11844	8.8
211.13394	2.2
223.13269	2.7
225.11316	2.4
226.61382	2.3
244.14433	2.3
275.01965	2.9
301.02786	3.1
304.15808	2.1
309.20859	2.5
315.02536	8.6
315.52917	9.3
316.03156	4.3
331.66476	2.5
633.38025	98.4
634.38568	11.5
651.30103	2.9
669.31653	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	669.3861
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
59.01377	9.1
61.26030	1.8
61.98843	10.4
62.13708	1.9
68.33873	1.9
69.35045	4.7
69.35454	7.4
79.26575	1.8
107.68394	2.0
122.59841	1.8
125.02451	4.7
149.06084	6.0
150.06862	40.2
163.07663	12.1
164.08420	6.5
178.10016	2.8
179.10817	14.2
300.33685	2.2
313.05820	2.5
327.21875	5.3
336.62592	2.6
357.81506	2.2
418.86456	2.2
446.30405	8.3
461.32553	9.6
489.31958	2.6
506.32703	3.7
507.33218	26.2
520.39813	2.0
584.32605	2.4
654.11328	2.3
658.53802	2.7
669.38757	100.0
670.39056	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	669.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07453	0.3
57.03462	1.1
58.72662	0.3
59.01385	100.0
60.01719	0.8
61.98812	0.4
70.16109	0.3
71.01389	7.2
73.02961	0.8
73.05989	0.3
83.01417	0.4
85.02967	1.3
85.06618	0.4
89.02457	9.7
95.01418	0.9
98.22606	0.8
101.02455	5.9
113.02456	4.4
119.03515	4.8
125.02470	0.7
131.03534	0.7
143.03542	0.9
143.10854	0.6
161.04590	1.8
169.01401	0.3
172.35500	0.3
178.99927	0.7
179.05611	3.1
187.13484	1.0
409.22333	3.0
447.31073	0.6
465.25146	1.2
591.35590	0.5
609.36487	38.1
610.36713	2.8
669.39203	0.4
676.54309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.6
59.01385	73.7
61.98836	2.3
69.13428	6.1
71.01389	33.9
72.30592	1.0
72.99319	1.5
73.02949	7.4
74.26796	1.1
83.01405	3.9
85.02959	11.8
87.00889	1.7
89.02450	19.5
95.01409	3.5
96.96004	1.4
97.02941	1.3
101.02460	22.2
107.01429	1.1
111.00927	3.0
113.02468	18.8
119.03508	8.4
123.00926	1.9
124.01686	1.3
125.02471	4.2
129.01915	1.3
131.03551	1.4
143.03529	1.6
159.03014	5.1
161.04578	3.5
169.01456	4.6
177.02008	1.1
179.03615	1.1
179.05621	3.8
201.14957	1.8
229.16063	5.7
245.15482	4.4
247.17049	94.5
248.17464	3.8
263.16531	4.2
264.16724	1.8
303.19415	1.1
349.18793	2.4
361.18765	12.8
405.20700	1.4
447.31351	1.1
540.45734	1.1
590.14160	1.2
591.35321	1.8
609.36469	100.0
610.36597	10.3
626.36353	7.2
627.37695	13.0
669.23083	3.1
669.38428	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	669.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01385	62.2
59.29431	1.1
61.98828	2.7
71.01392	21.0
73.02980	4.6
83.01407	2.1
85.02970	7.2
87.00873	1.7
89.02456	18.1
95.01373	3.2
95.44001	1.1
99.00886	1.7
101.02451	17.1
113.02480	8.9
119.03541	7.5
125.80855	0.9
139.25685	1.2
143.03531	1.1
143.10748	1.3
161.04533	2.3
169.01468	2.0
170.01837	1.0
179.05586	2.7
187.42503	1.1
203.03346	1.0
267.17609	1.1
269.15543	1.5
285.18665	8.3
447.30920	5.1
508.58881	1.0
553.81927	1.1
591.35419	3.2
609.36499	100.0
610.36542	9.2
627.37842	1.5
669.17450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1988
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03448	0.4
59.01388	5.2
61.98833	0.5
62.03500	0.3
67.01892	0.7
69.03468	1.1
69.16735	0.4
69.37859	0.8
69.38261	1.3
71.01386	4.1
73.02942	0.8
73.21884	0.4
79.01895	1.6
81.03473	1.0
83.01425	0.7
85.02973	1.2
87.00903	0.9
89.02475	1.3
93.42387	0.4
95.01398	2.4
97.02974	1.6
101.02455	2.2
107.01402	11.3
108.02226	0.8
109.02953	0.7
110.00105	0.5
111.00889	1.2
113.02444	2.2
119.03516	0.8
121.03003	0.6
123.00900	12.7
124.01681	10.1
124.02512	0.7
125.02460	54.7
126.02762	0.5
127.00347	0.5
136.01672	10.9
136.98853	1.0
137.02432	0.9
139.00369	2.2
139.04010	0.9
140.01146	1.9
141.01936	2.3
147.04480	0.4
151.00400	7.2
151.04022	8.7
153.01970	1.0
166.99928	0.6
168.00648	4.2
169.01445	64.1
170.01807	1.4
175.03998	0.5
176.04738	0.8
177.05568	0.5
179.03470	0.6
183.03032	4.3
191.07170	1.1
211.02512	1.3
211.04391	0.4
223.02431	0.6
241.03543	1.5
253.03427	1.0
293.08310	0.4
297.06168	0.6
312.04837	0.6
312.10019	0.7
313.05676	15.8
313.11066	0.8
314.05939	0.8
327.07327	1.4
327.12399	1.2
343.11896	1.0
357.13553	0.7
409.21808	0.5
505.50092	0.5
610.36951	0.7
611.37512	0.5
627.37622	0.9
628.37970	1.2
641.18066	0.5
653.18689	0.5
670.39252	0.7
671.19867	100.0
672.08435	0.6
672.20123	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	671.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59374	0.8
57.03455	1.3
58.76357	0.8
59.01382	32.1
60.01711	0.9
61.98817	3.6
67.01917	1.1
69.03442	0.9
71.01391	10.5
72.93628	0.7
73.02921	2.3
79.01909	1.2
81.03472	1.2
83.01370	1.4
85.02958	6.5
87.00913	0.9
89.02449	6.5
95.01379	2.9
97.02968	2.3
101.02448	5.9
107.01402	11.3
108.02205	0.9
109.02927	1.0
111.00887	2.3
113.02453	5.5
114.70942	0.9
119.03506	2.5
121.02968	2.2
123.00904	14.4
123.04500	1.1
124.01688	10.0
125.02467	63.8
135.04572	1.4
136.01680	10.6
137.02455	2.3
139.00356	2.7
139.04022	1.2
140.01172	1.8
141.01964	2.2
143.03564	1.3
145.03026	0.9
150.03333	1.2
151.00388	8.8
151.04008	8.4
151.06108	0.8
153.01979	1.1
161.04604	1.9
163.04033	1.8
165.05556	1.2
166.99843	0.8
168.00673	4.6
169.01447	69.1
170.01767	1.7
175.04063	1.9
179.03505	2.3
179.05611	2.2
181.04977	1.0
183.03029	3.2
193.92503	0.9
211.02438	2.7
216.21564	0.7
219.03023	1.7
234.05379	2.0
241.03436	1.5
271.04572	1.9
279.08698	1.6
297.06247	0.9
300.99789	1.6
313.05685	16.7
313.11139	4.0
327.07278	2.2
327.12238	1.0
342.11227	0.9
343.11920	1.7
355.11752	1.0
357.13538	1.4
374.26447	0.9
375.27542	12.1
379.98746	0.9
389.29318	1.0
452.50589	0.8
610.36487	3.8
611.37720	8.2
625.35834	1.4
627.37366	1.8
628.19391	0.8
628.38019	4.2
629.38135	1.4
671.19843	100.0
672.20020	10.5
678.01978	0.8
704.27271	0.8
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
55.01875	1.7
57.03455	9.7
59.01386	100.0
62.06248	1.0
69.15504	2.7
69.15915	3.9
71.01389	44.1
76.00005	1.1
79.68412	1.2
83.01396	3.3
83.05027	5.2
84.02179	1.1
85.02962	68.5
87.00906	3.2
89.02454	63.2
95.01411	3.3
98.22689	2.2
99.00871	1.9
101.02459	21.1
113.02463	65.3
119.03518	22.5
121.02992	4.8
122.03763	1.1
123.04499	2.7
125.02464	3.8
131.03517	39.4
133.03018	1.1
143.03522	7.8
145.02960	2.6
147.04530	1.4
149.02460	5.2
149.04593	6.1
150.03217	6.5
159.10263	5.2
161.02495	2.0
161.04604	8.0
162.03256	34.7
164.04776	3.6
165.05580	8.7
166.06354	11.3
169.01509	2.0
173.26990	1.1
177.05580	29.9
179.05635	38.9
180.04260	1.8
180.05858	1.2
181.08723	4.0
191.02122	1.3
195.06648	10.8
209.11852	1.8
211.09752	1.5
275.01959	1.3
301.00027	1.4
319.19113	1.6
344.12405	1.5
359.14975	12.8
383.71851	1.1
407.17023	7.0
461.29303	3.0
479.30707	2.0
489.16199	1.9
611.34393	25.0
671.25092	8.5
671.35187	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	671.3291
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
55.01881	0.5
57.03451	0.5
59.01384	9.6
65.04008	0.5
69.03453	0.5
71.01395	6.2
73.02951	1.4
78.86868	0.4
80.02703	2.4
81.03461	3.1
83.01398	1.1
83.05032	6.4
84.02168	1.4
85.02967	2.2
87.00887	1.1
89.02464	3.5
93.03480	1.8
95.01415	0.5
95.05046	1.2
97.02965	4.7
97.06593	0.8
99.00904	0.9
101.02446	4.5
106.04250	0.3
107.05051	0.7
109.06604	17.3
110.03752	1.5
111.04541	0.5
113.02499	2.2
119.03478	0.6
121.06608	1.2
123.04523	0.3
123.08144	0.7
125.02457	0.8
125.06100	0.7
125.09724	2.2
134.03749	0.5
135.08192	3.5
136.05315	1.2
136.83018	0.3
137.09750	0.5
140.91658	0.4
143.03473	0.5
145.05106	0.6
145.10233	0.6
150.49091	0.5
161.04573	1.5
161.09735	1.6
163.11304	14.0
164.11655	0.4
165.12875	2.1
171.10278	3.9
179.05710	0.5
179.10846	0.7
181.12384	2.8
185.11859	2.1
187.09744	0.7
189.09259	1.3
191.10806	1.7
196.18118	0.4
197.27066	0.4
201.11385	0.7
203.10950	0.5
205.12440	0.6
207.10286	48.4
208.10696	1.6
209.11850	100.0
210.12196	4.3
217.12329	0.9
221.11841	1.0
223.13396	0.6
225.11351	23.0
226.11676	0.7
227.12907	13.5
228.13153	0.5
231.10245	1.1
235.08235	3.1
235.13365	0.6
243.12373	0.6
245.11700	0.6
247.13452	1.1
249.11311	1.1
253.09320	8.6
254.09737	0.5
263.12933	1.1
265.14554	1.4
267.22327	0.4
281.13898	0.8
299.15057	0.7
355.22791	0.7
371.22485	0.4
373.24081	0.8
381.20874	0.6
389.23111	0.7
399.21814	6.0
405.17514	0.4
407.24506	0.5
417.22916	5.2
418.23108	0.6
429.05988	0.3
435.23459	0.7
443.19217	2.4
445.20551	0.4
451.24884	0.4
461.20297	7.8
461.26639	0.6
485.20880	0.5
491.26041	0.6
509.27441	0.5
609.29254	0.7
627.30328	0.6
635.30756	10.2
636.31055	0.9
652.31561	0.4
653.31903	12.5
654.32202	1.6
671.32904	21.0
672.33136	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	671.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03444	1.1
59.01384	11.6
69.67606	0.5
69.73923	1.8
71.01395	6.1
71.05023	0.5
73.02943	2.3
75.66177	0.5
80.02702	2.3
81.03457	3.8
83.01406	1.1
83.05033	8.0
84.02180	2.0
85.02953	1.8
87.00892	1.0
89.02457	2.9
93.03467	1.3
95.05045	1.7
97.02956	4.6
97.06627	0.9
99.00900	1.0
101.02445	4.0
107.05064	0.9
109.06602	18.1
110.03748	2.2
111.04541	1.0
113.02428	2.6
114.33365	0.5
119.03526	0.6
121.06569	1.2
123.08208	1.0
125.02465	0.7
125.06103	1.2
125.09757	2.4
135.08202	3.2
136.05289	0.7
137.71544	0.5
143.03540	0.8
145.05020	0.8
148.77950	0.5
161.04556	2.4
161.09732	1.9
161.30083	0.5
163.11307	16.6
165.12865	2.1
171.10298	7.0
181.12415	3.0
185.11853	2.2
185.80960	0.5
187.09840	1.0
189.09251	1.4
191.10832	1.4
197.11998	0.5
198.10008	0.5
201.11345	3.9
207.10287	51.6
208.10684	1.7
209.11852	100.0
210.12178	3.3
217.12296	0.5
221.11829	1.3
223.13297	0.6
225.11345	34.1
226.11652	1.1
227.12927	15.2
231.10237	1.2
235.08240	4.4
235.13348	1.2
243.12346	0.9
245.11859	0.8
247.13557	0.8
249.11351	1.7
251.12894	0.7
253.09341	10.0
263.12912	1.7
265.14447	0.8
279.84753	0.5
299.15030	1.1
355.22644	0.7
373.23953	1.0
381.20834	0.6
389.23306	0.7
399.21808	4.6
417.22861	5.8
418.23010	0.7
435.23557	0.7
443.19440	3.4
445.20810	0.7
461.20328	11.1
491.25922	0.6
635.30835	10.7
636.30865	1.2
653.20856	0.9
653.31812	15.3
654.32104	1.9
671.32916	28.4
672.32904	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	671.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74199	0.5
51.49324	0.5
55.01878	1.0
57.03453	0.5
59.01382	9.9
69.03461	0.8
71.01379	5.1
73.02958	2.0
80.02692	1.8
81.03458	2.5
83.01392	1.3
83.05032	8.1
84.02175	1.1
84.32401	0.5
85.02952	1.5
87.00880	1.0
89.02444	3.5
93.03443	1.1
95.01408	0.7
95.05036	2.0
97.02946	5.2
97.06577	1.2
99.00912	3.6
101.02442	4.3
106.80896	0.5
107.05070	0.7
109.06600	13.4
110.03755	1.6
113.02460	2.2
119.03506	1.1
121.03009	0.7
121.06601	1.7
123.08099	0.8
125.09754	2.6
135.08170	2.1
145.05112	0.8
161.04608	1.9
161.09743	1.5
163.11295	14.6
165.12860	2.1
171.10286	4.2
179.10770	0.7
181.12378	5.6
185.11848	1.8
187.09673	0.7
189.09186	1.4
191.10791	1.4
197.11856	1.0
201.11343	2.1
201.61763	0.5
207.10283	50.7
208.10643	1.7
209.11852	100.0
210.12187	3.5
219.14064	0.6
221.11786	0.7
225.11343	42.8
226.11642	1.5
227.12903	14.6
231.10229	1.3
235.08275	2.9
243.12370	3.4
247.13335	1.3
249.11462	0.6
253.09305	9.4
263.12900	1.5
265.14398	0.8
306.79468	0.6
317.15851	0.7
325.88641	0.6
336.49258	0.6
355.22659	1.1
373.23737	2.0
385.20499	0.6
391.25140	1.3
399.21735	2.7
405.17630	0.8
407.24203	1.0
417.22842	4.6
435.24182	1.2
443.19131	3.2
445.20691	1.2
453.12915	0.6
461.20309	11.8
462.20380	1.0
467.08792	0.6
542.94360	0.6
557.33514	0.6
609.32758	1.0
627.30548	0.9
635.30872	7.0
635.40338	1.1
653.31860	14.8
654.32196	1.7
671.32867	22.0
672.33276	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	671.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75460	0.6
55.01859	0.8
57.03458	0.9
59.01381	12.6
59.84750	0.7
61.98806	0.8
71.01384	5.9
73.02943	1.7
80.02661	1.7
81.03456	3.2
83.01397	1.0
83.05027	8.7
84.02138	1.8
84.05350	0.8
85.02958	2.7
87.00900	1.4
89.02435	3.6
93.03476	1.4
95.01389	1.2
95.05022	1.4
97.02934	7.0
97.06594	1.3
99.00864	1.5
101.02460	5.8
107.05086	1.1
109.06594	23.2
110.03732	1.7
111.04504	1.1
113.02472	3.5
119.03510	0.8
121.06561	1.8
125.09721	3.2
135.08153	3.8
136.05283	1.8
143.03596	0.8
145.05080	1.1
145.10248	0.8
161.04623	1.9
161.09677	2.1
163.11293	18.4
164.11665	0.9
165.12863	3.1
171.10306	3.8
171.85326	0.8
179.05586	0.7
181.12434	4.5
185.11847	3.1
189.09193	2.0
191.10872	1.1
197.11781	0.9
199.13380	1.1
207.10275	61.9
208.10593	2.7
209.11842	100.0
210.12158	4.1
211.13429	1.6
221.11900	1.0
223.13391	2.1
225.11320	36.9
226.11687	1.4
227.12917	15.9
231.10251	1.2
235.08304	4.4
235.13509	0.8
245.11748	1.0
247.13467	1.5
249.11386	1.8
253.09247	11.7
263.12866	1.6
275.20053	0.8
299.14944	1.4
363.21307	0.8
373.23770	1.7
381.20569	0.8
399.21686	7.3
407.24158	0.9
417.22824	5.5
443.19186	2.5
461.20303	11.0
625.32977	0.9
635.30524	11.6
636.31250	1.3
653.31775	13.9
654.32275	2.9
671.32837	22.9
672.33374	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	671.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62704	0.8
57.03457	4.3
59.01385	54.7
70.46299	0.9
71.01382	9.0
71.05017	2.8
71.80885	0.9
75.00861	2.7
75.81579	0.9
83.05035	23.3
85.02958	8.6
86.68943	0.8
89.02444	9.5
108.16346	0.9
113.02457	1.3
115.07645	3.6
125.02409	2.5
131.03500	2.3
141.09254	0.9
149.04565	3.6
151.00356	2.1
153.01920	0.9
159.10286	20.5
169.01456	1.2
178.99883	2.9
182.31506	0.9
189.42874	1.1
231.13968	1.2
243.02991	2.0
267.13879	3.7
283.17014	3.6
285.14984	2.0
301.18106	11.0
302.18564	1.1
319.19177	24.1
320.44208	0.9
365.71588	1.0
451.23267	2.5
461.29077	10.7
479.30170	14.6
593.33533	6.9
611.34418	100.0
612.34912	6.6
623.97095	0.9
671.36469	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	671.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08329	0.9
57.03441	1.7
59.01385	22.7
60.24896	1.0
61.98832	16.7
71.01392	6.3
73.02937	2.2
78.65423	0.9
85.02962	2.7
87.00870	1.2
89.02457	3.3
90.44431	1.3
95.01374	1.6
97.06568	2.4
101.02452	3.8
101.06992	1.0
111.04565	1.6
113.02460	3.7
113.09716	1.1
123.00919	1.8
125.02441	4.7
132.55946	1.1
136.05315	27.3
137.06003	1.2
149.06078	4.5
150.06871	4.4
161.04558	3.8
164.08438	3.9
165.09221	24.8
168.00743	1.2
169.01450	3.1
178.99855	2.9
229.10815	1.4
306.18472	1.3
321.20792	3.2
329.08792	4.4
343.21329	5.9
350.21039	3.6
364.12973	1.2
427.28397	1.3
445.29434	2.0
463.30640	5.8
491.30060	1.7
508.30566	2.5
509.23672	1.3
509.31134	25.9
510.31909	1.8
521.21326	2.5
593.37537	1.2
611.38037	11.2
671.36548	100.0
672.36798	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	671.4017
Annotation	Guineamide D
Peak:m/z	Relative Intensity
59.01379	4.9
61.98838	10.7
71.01389	1.5
77.17471	1.2
88.98827	1.4
89.02465	1.8
92.24934	1.5
125.02484	1.9
126.86449	1.4
149.06076	5.0
150.06874	36.7
163.07658	11.2
164.08427	3.7
169.01509	1.8
178.10004	2.7
179.10780	14.5
180.23174	1.6
207.10364	1.9
209.11858	3.8
225.11424	2.5
285.21204	1.4
329.23325	4.6
347.87585	1.4
448.31775	10.0
463.34433	10.7
490.32892	1.8
491.33707	2.8
508.34628	2.2
509.34851	28.2
510.35324	1.5
641.28851	1.4
671.40247	100.0
672.40564	13.2
681.01068	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	671.402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21781	1.7
57.03461	3.9
59.01383	100.0
61.98834	21.8
71.01385	13.9
73.02945	2.8
83.01437	2.4
85.02959	5.7
87.00880	2.5
89.02448	16.8
95.01421	3.7
101.02453	12.1
107.01411	7.2
113.02470	8.7
116.92886	2.3
119.03487	8.4
123.00876	10.7
124.01675	10.4
125.02458	46.3
137.02422	2.7
139.00388	2.5
140.01189	2.7
141.01877	2.3
143.03494	2.8
151.00380	4.1
161.02484	2.2
161.04597	4.5
165.01921	2.3
165.05670	2.2
166.99802	2.5
167.03555	2.3
168.00650	9.8
169.01439	70.9
169.77628	1.7
170.01730	3.3
179.05629	9.1
193.01451	6.9
202.60068	1.8
211.02493	25.5
241.03400	2.0
271.04550	16.2
300.04736	1.9
301.00064	3.2
313.05646	4.6
345.06674	2.0
423.05621	4.9
449.32562	2.4
483.07993	22.2
483.18567	3.7
515.30176	1.8
521.21796	10.3
611.38031	42.1
611.47565	3.2
612.38202	5.2
635.19525	11.2
636.20111	2.8
671.19971	47.0
671.32050	3.6
672.21167	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	671.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01384	100.0
60.01719	0.4
61.98839	1.3
62.04803	0.2
67.75825	0.3
71.01393	3.6
73.02945	1.1
83.01395	0.4
85.02967	1.4
87.00880	0.4
89.02454	2.2
95.01423	0.4
99.00932	0.3
101.02443	2.5
107.01393	0.4
113.02491	1.6
115.13810	0.2
116.92928	0.3
119.03536	0.9
123.00901	0.3
124.01695	0.2
125.02428	1.5
126.02804	0.2
135.04626	0.2
143.03543	0.3
159.03036	0.3
161.04601	2.0
164.65752	0.2
169.01462	2.0
179.05695	0.6
209.11813	0.3
209.56520	0.2
210.91913	0.2
211.02504	0.3
271.04706	0.4
301.00311	0.3
449.33008	0.8
483.08276	0.4
593.37518	0.4
611.37946	6.8
612.38818	0.8
625.36578	0.3
628.37683	1.8
671.20398	1.2
671.40448	2.6
672.40509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59416	1.2
57.03440	3.1
58.19680	1.0
59.01385	71.6
59.56478	1.1
61.98835	7.8
69.08405	3.2
69.08815	3.9
71.01387	24.3
72.99323	1.8
73.02945	4.8
78.25357	1.1
83.01395	2.9
84.60161	1.1
85.02967	9.7
87.00884	1.9
89.02451	15.7
95.01421	2.7
96.96021	6.4
97.96374	1.0
99.00893	1.7
101.02450	16.3
105.01056	1.0
113.02470	11.7
118.00214	1.2
119.03499	5.9
123.00910	2.0
125.02434	2.8
143.03494	1.5
148.83484	1.0
159.02963	1.2
161.04558	3.3
169.01430	3.5
179.05580	1.7
179.10864	1.0
209.11699	1.4
225.11263	1.5
242.11853	1.1
287.20212	2.0
288.30258	1.2
449.32620	4.4
486.07883	1.1
611.38055	100.0
612.38293	12.6
635.20038	2.0
635.95056	1.3
671.32593	4.4
683.27490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01385	100.0
60.01711	1.3
61.98837	12.3
62.00544	0.7
69.03471	0.8
69.23546	4.2
71.01386	18.9
73.02932	1.2
73.81049	0.7
83.01412	1.8
85.02537	0.7
85.02959	3.4
87.00883	1.5
89.02453	27.0
95.01411	2.8
96.96049	0.9
101.02457	12.7
107.01424	3.5
113.02451	8.5
118.98097	0.8
119.03522	14.5
119.04339	1.2
121.02969	1.1
123.00889	5.3
124.01710	3.1
125.02462	17.6
131.03517	1.6
132.94209	0.7
133.01515	1.1
136.01717	3.0
137.02454	0.7
139.00377	1.1
140.01210	1.1
141.01985	1.2
143.03548	3.1
149.04575	1.1
150.03258	2.0
151.00391	3.6
151.04074	3.5
161.02544	0.9
161.04630	5.2
163.63089	0.7
165.05624	2.6
166.99826	0.9
168.00735	1.2
169.01433	19.5
169.02786	1.1
175.05251	0.9
179.05650	12.7
195.06755	1.9
201.77014	0.7
211.02522	1.1
219.03011	1.2
233.09511	1.1
234.05569	1.3
244.09930	1.7
261.48883	0.7
279.08957	2.5
288.08734	0.8
300.99945	1.3
313.05603	3.9
334.44623	0.7
342.10736	0.9
449.33151	0.8
468.18042	1.8
491.17227	1.2
500.47604	0.7
504.03177	0.7
509.18228	1.2
524.80170	0.7
611.38019	42.2
612.38611	2.9
628.37982	1.1
633.32257	1.3
671.19836	21.1
672.20508	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	672.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20310	0.2
56.09904	0.1
59.01378	0.2
60.23507	0.1
61.98835	100.0
70.54343	0.3
71.01401	0.3
78.95920	0.4
79.47906	0.1
81.03443	0.2
83.05064	0.3
91.81960	0.1
94.65699	0.1
109.06609	0.4
129.24022	0.1
152.99687	0.2
163.11293	0.2
171.10332	0.2
202.09761	0.2
207.10243	0.7
208.10663	0.4
209.11842	3.1
210.12238	0.8
211.13483	0.2
225.11407	0.7
226.11699	0.3
227.12968	0.6
228.13219	0.2
253.09256	0.3
273.11783	0.1
303.64368	0.2
462.20779	0.2
636.31573	0.2
654.32758	0.5
672.33014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53647	0.4
61.77950	0.4
61.98834	100.0
62.81939	0.3
69.24194	1.2
69.24597	0.7
78.95915	1.2
80.24985	0.3
92.02641	0.4
115.23621	0.4
121.51101	0.4
136.57709	0.4
145.03011	1.3
146.03305	0.5
163.60040	0.4
165.94716	0.3
207.10210	0.7
209.11845	1.2
209.33963	0.4
210.12140	0.5
227.12912	0.4
263.96021	0.4
276.27066	0.4
394.37521	0.3
634.38245	2.1
672.32568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85325	0.7
59.01387	5.4
61.98836	100.0
69.80620	0.6
71.01382	2.0
71.44448	0.7
71.71070	0.7
80.91693	1.2
85.02929	0.7
89.02448	1.3
96.96045	1.0
101.02446	1.1
107.01443	0.8
119.66637	0.7
123.00890	1.0
125.02483	2.6
136.67116	0.6
139.86241	0.6
152.07111	0.9
155.35184	0.7
168.94337	0.6
169.01511	2.3
209.11871	2.9
244.83847	0.7
302.58908	0.7
308.89127	0.8
444.61011	0.8
472.28445	1.9
561.26337	1.0
562.96320	0.8
566.64667	0.9
566.73962	0.9
612.38330	3.8
613.39026	0.9
673.22333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
60.01723	0.9
61.01805	0.8
61.98834	100.0
65.27938	0.3
71.01386	1.8
76.41265	0.3
85.02950	0.4
89.02460	1.5
95.01410	0.3
101.02462	0.8
107.01422	1.3
113.02484	0.7
113.06113	0.4
119.03518	0.7
123.00930	1.4
124.01686	1.2
125.02469	6.0
126.02875	0.3
136.98949	0.3
139.00409	0.6
151.00369	0.7
151.11006	0.4
160.90128	0.4
168.00636	0.6
169.01451	6.3
170.01802	0.5
179.05652	0.6
189.51401	0.3
209.11949	0.4
211.02493	0.7
227.12897	0.3
331.06732	0.6
451.11337	0.4
481.15106	1.3
483.18973	0.8
484.19235	0.8
493.15445	0.6
511.16342	1.3
521.20013	0.4
593.08771	0.3
611.37537	1.1
612.37329	3.8
635.19647	1.6
636.20239	2.6
637.20258	0.4
672.20325	0.8
673.21545	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	672.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
60.01723	0.9
61.01805	0.8
61.98834	100.0
65.27938	0.3
71.01386	1.8
76.41265	0.3
85.02950	0.4
89.02460	1.5
95.01410	0.3
101.02462	0.8
107.01422	1.3
113.02484	0.7
113.06113	0.4
119.03518	0.7
123.00930	1.4
124.01686	1.2
125.02469	6.0
126.02875	0.3
136.98949	0.3
139.00409	0.6
151.00369	0.7
151.11006	0.4
160.90128	0.4
168.00636	0.6
169.01451	6.3
170.01802	0.5
179.05652	0.6
189.51401	0.3
209.11949	0.4
211.02493	0.7
227.12897	0.3
331.06732	0.6
451.11337	0.4
481.15106	1.3
483.18973	0.8
484.19235	0.8
493.15445	0.6
511.16342	1.3
521.20013	0.4
593.08771	0.3
611.37537	1.1
612.37329	3.8
635.19647	1.6
636.20239	2.6
637.20258	0.4
672.20325	0.8
673.21545	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	672.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33836	0.6
54.60810	0.5
59.01377	3.0
60.35878	0.5
61.98837	100.0
68.46748	0.5
71.01378	0.7
82.95430	3.2
85.04174	0.6
88.98849	0.7
89.02419	0.7
101.02434	0.9
113.02477	0.6
116.31303	0.5
120.90803	0.6
125.02480	1.0
151.00551	0.6
169.01454	1.0
179.53758	0.6
209.11836	5.7
227.12819	0.9
246.04234	0.7
253.09502	0.6
320.25290	0.6
393.90781	0.6
473.29382	4.0
474.29532	7.9
612.38599	1.1
636.35608	1.1
672.34259	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	673.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.3
65.00333	6.2
71.01370	6.3
83.01395	7.0
95.14352	3.9
107.01406	12.1
109.02978	21.3
111.90082	4.2
121.03048	3.8
123.04527	4.8
125.02467	29.7
137.02455	15.7
141.14153	3.7
151.00391	48.0
151.03958	4.3
152.01190	4.3
153.01950	38.1
158.42262	4.2
159.04477	6.7
161.04546	5.4
161.67119	3.6
163.00375	9.5
165.01921	15.2
166.06329	4.8
167.03502	10.5
169.01407	5.9
175.04019	10.6
177.01953	6.0
177.05540	5.3
178.99878	44.2
181.01431	29.3
193.01422	11.6
195.02972	12.9
201.05620	7.2
214.85101	3.5
227.03696	6.2
231.02895	9.5
245.04651	10.1
273.04126	23.0
291.05081	9.4
317.03033	100.0
335.03940	27.6
353.05145	85.6
612.28333	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	673.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.9
61.98837	41.1
69.11419	100.0
70.86237	14.0
70.97954	13.9
78.01408	16.1
80.76688	16.3
98.21890	35.2
99.51954	15.3
115.95167	16.0
134.95239	15.7
145.18947	12.8
171.10287	24.4
194.56000	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78045	0.7
59.01380	1.6
69.02753	0.7
71.42685	0.9
72.99307	1.7
76.20718	0.9
87.00895	1.3
91.05542	1.9
93.03476	1.0
106.04222	1.3
107.05048	10.0
114.41059	0.7
121.02946	1.4
123.00858	1.8
123.56059	0.8
125.02421	2.4
131.05025	1.1
133.06593	5.7
135.04512	1.5
145.86140	0.7
149.06088	18.2
163.04018	1.2
169.01437	2.6
177.05594	15.7
178.05963	0.9
179.03513	24.9
180.03935	1.3
195.06635	2.9
239.05620	100.0
240.06033	3.0
275.02100	2.0
300.99796	2.4
433.13501	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	673.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23201	1.1
87.00868	2.9
96.06452	0.9
107.05042	11.5
121.02950	2.8
123.00860	1.2
123.04523	1.1
133.06604	6.2
149.06104	17.5
151.00397	1.6
152.01134	1.1
155.61671	1.0
169.01418	1.1
177.05594	21.2
179.03514	29.9
189.63477	1.0
195.06619	2.2
239.05629	100.0
240.05956	2.5
255.05083	1.4
417.10498	1.9
428.85760	0.9
433.13626	8.8
493.15546	1.0
702.58582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04877	0.5
59.01391	2.6
65.00346	0.8
67.01903	1.2
69.03466	1.5
71.01380	3.4
73.02959	0.9
73.70721	0.4
79.01894	1.4
81.03458	1.3
82.00614	0.6
83.01379	0.8
85.02980	1.2
87.00913	0.6
89.02467	0.9
95.01398	1.9
96.95993	0.5
97.02963	0.8
101.02439	1.5
107.01400	11.5
109.02988	0.5
111.00903	1.7
113.02467	1.9
121.02982	1.2
122.03768	1.3
123.00906	15.1
124.01680	10.3
125.02464	57.6
126.02885	0.7
127.00423	1.0
136.98837	1.1
137.02524	0.7
139.00385	3.2
139.04022	1.4
140.01213	3.5
141.01936	2.3
145.64969	0.5
149.02444	0.6
150.03238	0.7
151.00385	9.0
151.04012	0.8
151.07733	0.6
153.01981	0.8
158.03703	0.5
159.04579	2.5
160.05327	6.8
161.06105	2.1
163.03992	1.3
164.04861	0.6
165.05563	0.9
166.02734	0.6
166.68561	0.5
167.03453	0.8
168.00670	5.0
169.01442	67.9
170.01782	1.1
173.06107	0.6
175.07672	4.1
177.05621	0.9
178.06369	1.9
179.05617	0.8
181.05069	1.0
183.02995	5.2
192.07997	0.9
195.02951	0.6
211.02524	1.9
241.03522	1.3
253.03723	0.7
297.06204	0.9
298.98389	0.8
299.98978	0.7
305.00238	0.6
313.05731	15.5
315.12460	2.5
327.07507	1.1
329.14038	3.9
432.03308	1.1
509.03781	1.6
673.21429	100.0
674.21881	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	673.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57494	0.3
59.01378	4.5
61.97288	0.3
61.98822	0.8
69.46735	0.7
69.47125	0.6
71.01386	1.6
81.03493	0.4
83.01394	0.4
89.02451	0.7
89.47707	0.3
95.01380	0.4
97.02924	0.4
98.22571	0.5
101.02444	1.1
107.01396	2.9
111.00881	0.9
123.00884	2.3
124.00733	0.5
124.01665	11.7
125.02460	18.0
126.02857	0.5
136.98824	1.1
137.02487	0.5
139.00394	1.0
139.04031	0.9
140.01169	1.3
141.01993	0.4
145.02991	0.5
149.02385	0.4
151.00401	1.5
165.02005	0.6
167.03496	1.2
168.00659	11.3
169.01440	25.6
170.01756	0.5
183.03021	0.9
194.50624	0.4
211.02489	51.9
212.02763	1.0
230.19493	0.4
238.06363	0.5
241.03543	0.8
255.10196	0.9
266.06210	0.4
269.11905	0.4
271.04614	100.0
272.04941	2.7
283.09769	5.2
285.06189	1.1
295.09677	0.4
296.10583	0.9
298.12247	0.9
310.12332	0.5
311.09283	11.0
312.09607	0.5
325.10764	0.4
326.11633	5.8
327.12341	0.6
331.06726	26.5
332.07214	0.8
341.13947	1.4
345.73438	0.3
521.20465	1.0
602.86139	0.4
613.38959	0.5
673.21265	19.4
674.21564	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	673.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86594	0.8
59.01368	1.9
69.03432	1.1
69.89091	2.5
71.01357	2.2
81.03452	1.5
85.02953	1.0
95.01373	2.1
97.02927	1.8
101.02441	0.9
106.78039	0.8
107.01398	11.0
111.00895	1.5
113.02466	1.9
123.00916	6.6
124.01679	16.5
125.02457	66.3
132.67442	0.8
137.02481	1.2
139.00357	1.1
140.01131	0.8
141.01976	0.9
149.02501	1.1
151.00346	3.1
165.01909	1.3
166.99818	1.0
167.03471	1.1
168.00641	12.1
169.01437	100.0
183.02950	1.4
193.01437	4.8
193.03009	0.9
195.71820	0.8
211.02490	37.5
212.02885	0.9
241.03537	2.9
260.15497	1.0
271.04611	26.3
313.05746	7.2
423.05457	1.8
483.07849	33.2
627.98169	0.8
673.21387	91.6
674.21698	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	673.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.2
61.98841	3.0
67.01879	1.5
68.99813	0.5
69.03461	1.1
69.53576	0.8
69.53974	1.4
69.84935	0.5
71.01387	3.8
72.12352	0.6
73.02942	0.7
78.01120	0.6
79.01884	2.2
81.03461	0.7
83.01405	0.6
85.02956	0.7
88.54556	0.5
89.02441	1.5
95.01394	5.7
97.02944	1.9
101.02440	1.9
103.48346	0.5
107.01409	5.9
109.02946	1.0
110.00073	0.7
111.00869	2.5
113.02437	1.8
123.00901	28.0
124.01682	20.8
125.02463	34.2
127.00363	0.8
136.98798	1.2
139.00389	4.8
139.04016	1.3
140.01154	3.9
141.01976	3.9
151.00381	4.2
153.01889	0.7
165.01965	1.0
166.99864	10.2
167.03529	0.8
168.00664	6.9
169.01442	39.8
170.01707	0.6
181.01399	1.1
183.02992	2.0
193.01445	0.9
195.02992	1.2
209.11838	2.0
211.02486	11.2
227.12874	0.7
241.03625	1.1
252.04161	0.6
265.08603	1.1
268.07251	0.7
271.04630	7.5
280.07578	0.6
282.89120	0.6
287.33466	0.6
289.07355	0.6
293.08160	1.1
295.04761	0.6
298.97815	0.5
309.11313	0.7
311.09381	1.6
312.09732	0.6
313.05643	2.3
326.11667	2.8
327.12479	5.9
341.14011	1.3
369.69879	0.5
447.10355	0.6
460.11459	1.1
463.10205	3.7
478.12732	20.1
479.13083	1.6
483.07767	6.4
493.15079	100.0
494.15457	7.4
538.03583	0.6
569.25580	0.8
612.37775	1.2
613.39099	3.7
673.21454	58.6
674.21820	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32199	0.6
56.67680	0.5
59.01377	1.7
59.67218	0.5
67.01868	0.7
68.64564	0.6
69.03492	0.7
69.37491	2.3
71.01381	3.3
77.64683	0.6
78.01105	1.1
79.01956	0.6
81.03452	1.7
83.01382	0.8
85.02958	1.1
90.24090	0.6
95.01385	1.6
97.02959	1.6
101.02440	1.7
107.00733	0.9
107.01406	13.1
111.00898	1.1
113.02448	1.5
121.02972	1.3
122.96959	0.6
123.00903	13.4
124.01672	8.8
125.02462	53.7
126.02796	1.4
127.00391	0.8
136.98798	0.8
137.02493	1.0
139.00397	2.0
139.03996	0.9
140.01202	2.1
141.01936	1.8
151.00375	8.2
151.03967	0.9
153.01878	0.6
158.71489	0.6
160.05330	0.8
165.01846	0.6
165.05452	0.6
168.00670	4.0
169.01442	67.1
170.01744	1.0
179.96645	0.6
181.05115	1.2
183.02985	3.0
211.02513	1.4
223.02589	0.7
241.03572	1.4
269.08255	3.1
271.16006	0.6
283.09735	1.8
297.06076	0.7
298.19019	0.6
299.09167	1.8
311.09326	3.6
312.10028	0.8
313.05649	17.2
314.11713	3.7
314.96646	0.6
315.12476	1.3
326.11560	2.1
327.07071	1.0
327.12192	0.9
329.13760	3.7
661.38928	0.6
663.50549	0.6
673.21399	100.0
674.21637	10.6
693.32208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55121	0.5
51.73628	0.6
54.41003	0.5
59.01382	3.9
61.98843	1.9
71.01394	2.1
80.02666	0.8
83.05042	4.0
84.02151	0.6
87.00862	0.6
89.02451	1.7
95.05025	1.0
101.02441	2.0
111.69676	0.5
113.02457	1.0
119.03515	0.7
122.16721	0.6
125.02498	0.8
143.11946	0.6
161.04495	1.1
163.11299	3.7
165.12854	2.1
171.10260	2.6
181.12404	0.6
184.20477	0.7
191.10837	0.9
199.13530	1.3
209.11850	100.0
210.12262	3.0
227.12920	14.7
235.08308	1.1
247.13452	1.0
253.09326	5.5
375.84912	0.6
445.20813	0.9
463.22232	0.9
473.29138	1.5
655.33459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55254	0.2
53.40710	0.3
59.01387	2.9
64.33239	0.2
70.20454	0.5
71.01389	1.9
73.02946	0.3
80.02675	1.3
81.03471	1.1
83.05034	4.6
84.02175	0.9
85.02991	0.3
89.02453	1.1
95.05029	0.6
98.21918	0.3
101.02428	1.4
111.08273	0.2
113.02467	1.0
116.18326	0.2
125.06107	0.7
126.58997	0.3
135.08163	0.6
161.04544	0.5
163.11311	3.6
165.12872	2.1
171.10283	2.3
181.12337	0.8
191.10767	1.0
209.11853	100.0
210.12187	3.3
221.11841	0.4
227.12909	12.5
228.13419	0.6
235.08220	1.7
247.13391	1.0
253.09326	6.0
339.96912	0.3
419.24438	0.3
445.20761	0.8
483.21732	0.3
632.70746	0.3
637.32129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59986	0.9
59.01388	8.5
61.98825	2.1
63.54166	0.9
71.01402	5.7
72.84977	0.9
75.79635	0.9
81.03468	2.0
83.05027	4.9
84.02185	1.1
85.02932	1.4
87.00874	1.3
88.98785	1.3
89.02454	3.3
95.05039	1.5
97.02952	1.3
99.00854	1.1
101.02429	3.8
109.06599	3.0
113.02467	2.1
114.05163	0.9
125.02424	1.4
125.09756	1.2
135.08194	1.6
135.22969	0.9
161.04575	0.9
161.09703	1.2
163.11253	5.5
163.66440	0.9
165.12820	3.8
165.28015	0.9
169.01353	0.9
169.12379	1.1
171.10229	6.4
175.41673	0.9
181.12401	1.8
183.13925	6.0
185.11880	2.3
191.10780	1.8
197.11859	3.5
199.13443	5.8
207.10295	7.1
208.10495	2.3
209.11850	100.0
210.12193	6.2
211.13492	10.0
225.11371	8.3
226.11697	1.7
227.12947	23.9
228.13083	1.0
235.08209	2.9
247.13327	1.6
253.09296	8.1
356.52768	1.0
366.24554	0.9
383.22470	1.0
401.22650	1.2
419.24646	1.1
445.20401	1.4
461.20013	1.0
462.20599	1.2
463.21548	1.8
541.86725	1.0
593.56006	1.2
597.23840	1.1
632.31921	1.0
637.31677	2.5
647.20313	1.1
655.32977	3.2
673.34247	13.9
680.73340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
61.98834	100.0
67.55482	0.3
69.64388	0.3
70.28651	0.3
71.01385	0.7
78.95916	1.9
80.18582	0.3
98.22636	1.4
125.09734	0.3
152.99593	1.3
163.11281	0.5
184.55557	0.4
199.13536	0.4
205.86180	0.3
209.11848	4.4
210.12181	2.0
211.13414	1.3
225.11346	0.5
227.12854	1.7
228.13060	0.4
297.02673	0.4
328.17923	0.4
674.35077	1.0
675.35455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.9934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85642	0.4
59.01382	53.7
61.98833	0.7
68.01685	0.4
69.70968	1.3
75.47131	0.4
81.04459	0.4
98.82705	0.4
107.97524	0.4
132.98196	1.4
157.03528	0.6
159.01598	0.5
174.99252	28.1
192.95901	2.9
201.02600	4.2
217.00302	100.0
218.00650	1.3
220.53700	0.4
301.30994	0.5
359.01492	9.0
360.01443	0.9
374.99225	64.9
375.99567	1.7
415.77454	0.4
517.00507	1.8
527.81445	0.5
532.98157	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	675.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29928	0.5
57.03453	1.0
57.98320	0.5
59.01379	1.4
60.21830	0.5
65.00328	0.5
67.01891	1.3
69.03445	1.4
69.51087	0.6
69.51412	2.4
71.01373	1.2
78.01162	0.7
79.01897	0.7
81.03465	0.6
82.88329	0.6
95.01393	1.4
97.02970	1.2
101.02458	0.8
107.01402	7.8
111.00857	1.2
115.58730	0.5
123.00899	10.6
124.01691	15.9
125.02460	34.7
126.02901	0.8
136.98788	1.0
137.02473	0.7
139.00346	2.3
140.01149	2.5
141.01941	1.1
149.02490	0.7
151.00385	6.7
153.01924	0.7
166.99881	0.6
168.00673	6.0
169.01437	40.1
170.01782	1.5
193.01431	0.8
193.05031	0.9
209.15610	0.7
211.02463	1.4
237.04121	0.8
295.04633	1.3
298.52982	0.7
309.98431	0.6
313.05679	1.9
370.51724	0.6
392.77686	0.7
493.80405	0.6
505.20895	8.6
506.21417	0.8
523.21899	13.9
523.33600	0.6
524.22150	1.2
675.22974	100.0
676.23419	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	675.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11774	5.3
55.93356	5.2
59.01388	6.0
61.98838	100.0
71.43372	6.5
77.01134	5.7
77.85211	4.8
78.95906	80.9
96.96957	9.1
106.12144	5.3
111.03931	5.3
136.40158	5.7
136.85045	5.4
152.99594	37.8
197.11896	16.6
209.11877	34.6
210.12111	13.8
211.13644	9.8
223.13362	15.2
227.12964	12.2
293.21368	12.3
311.21945	7.2
363.12021	15.5
447.21552	7.8
471.34772	10.2
487.34595	10.6
675.34259	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	675.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.4
61.98830	11.4
66.95170	2.8
71.01373	8.5
71.05257	2.9
71.41033	3.3
81.23930	2.8
83.05039	5.8
89.02414	3.3
89.35077	2.6
90.24009	2.9
97.02956	3.5
98.03284	3.0
101.02430	4.6
109.06591	10.2
116.92993	2.8
152.65331	2.6
157.55455	2.8
163.11279	9.7
165.12852	3.4
169.01418	3.3
169.12375	13.0
171.10287	52.5
183.13925	3.4
185.11818	5.8
197.11844	96.3
198.12161	4.4
207.10275	23.6
209.11855	100.0
210.12183	11.0
210.53310	2.7
211.13539	3.5
225.11345	8.6
227.12997	14.3
235.08211	7.2
241.09738	4.6
253.09358	13.1
259.33246	3.3
269.09387	3.8
428.21667	5.1
433.20654	9.4
436.18576	6.2
445.20422	3.3
597.29425	4.3
599.24689	4.6
615.30182	11.9
621.33185	7.4
675.32275	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	675.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03448	2.5
58.29234	1.6
59.01384	18.5
61.98843	3.0
62.22633	1.5
67.18029	1.7
69.03480	1.9
71.01379	14.0
71.41064	1.7
73.02951	3.4
79.07610	1.4
81.03463	1.7
83.05041	3.5
85.02979	2.7
87.00862	3.2
89.02464	5.1
95.05058	2.3
97.02968	4.7
97.06605	6.9
99.00896	2.3
101.02441	8.5
109.06596	22.2
113.02459	4.2
119.03553	2.6
121.06641	1.9
125.02446	2.2
125.09722	2.5
135.08121	2.6
145.90683	1.5
151.11298	21.6
152.67671	1.4
155.51047	1.8
161.04565	3.1
163.11325	9.8
166.93886	1.7
169.12352	100.0
170.12753	1.7
171.10277	16.4
181.12337	5.5
183.13995	4.0
185.11743	2.3
195.10315	5.1
197.11812	16.3
199.13452	2.2
207.10272	48.4
208.10606	2.8
209.11839	37.6
210.12190	9.4
211.13673	11.2
213.11346	28.8
221.98787	1.5
225.11351	23.3
226.11655	2.5
227.12932	9.3
228.13254	2.4
235.08253	5.4
253.09277	12.5
269.09213	1.9
359.22415	3.9
376.07401	2.0
377.23273	6.9
431.19257	4.0
436.18661	2.3
443.18982	1.9
449.20441	20.5
450.04456	1.7
461.20316	7.1
465.02899	1.6
613.31995	2.6
615.30389	3.7
631.31940	1.6
639.30054	4.5
657.31274	22.0
658.31873	4.8
675.24164	3.1
675.34863	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	675.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03447	3.2
59.01385	11.3
61.98837	4.4
69.03453	1.2
69.49425	2.7
71.01389	8.4
73.02956	1.9
75.00875	1.9
80.02682	1.8
81.03477	1.1
83.01386	1.9
83.05038	6.5
84.02186	1.2
85.02962	2.5
87.00905	1.6
89.02458	3.4
91.27058	0.8
95.05018	1.8
96.96001	1.9
97.06614	2.4
97.91615	0.9
99.00929	0.9
101.02455	5.4
112.18059	0.8
113.02445	3.1
119.03523	1.3
121.20774	0.9
123.08150	1.1
124.08309	0.7
125.02468	2.4
125.09731	4.6
135.04497	1.5
135.08209	1.6
136.07658	1.1
139.11307	3.4
141.12900	2.2
143.13399	0.7
153.12852	0.8
155.10785	0.9
161.04614	1.5
162.90860	0.8
163.11261	4.6
165.12891	2.5
167.10806	4.9
169.01453	1.9
169.12329	2.2
171.10284	4.8
181.12296	0.9
185.11844	86.7
186.12193	2.8
189.06714	1.1
191.10812	1.8
199.13440	1.4
201.03133	1.5
201.07932	1.0
201.11389	2.1
207.10374	0.9
208.93057	0.8
209.11841	77.5
210.12183	7.2
211.12315	1.8
215.04556	1.9
225.11342	1.2
227.12900	14.2
228.13226	3.6
229.10858	2.9
229.13364	1.9
235.08220	1.7
253.09294	6.3
269.13144	1.0
271.07169	1.1
297.12384	1.0
309.08548	0.9
330.08560	1.4
399.79526	0.9
416.14584	1.2
420.15701	1.2
462.17401	1.2
465.19791	4.0
480.17795	12.0
512.20331	1.9
603.30341	1.5
625.23090	2.0
643.23938	2.1
657.31665	3.1
675.32483	100.0
676.33014	10.4
686.64008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03455	1.2
57.54759	0.3
58.00604	1.1
59.01385	65.2
61.98817	0.3
62.22482	0.3
63.36684	0.3
67.56169	0.3
68.99812	0.5
69.03458	2.4
71.01389	39.6
71.05016	0.4
72.99332	1.6
73.02953	6.3
75.00888	1.0
78.95903	0.4
81.03468	1.9
83.01397	5.2
83.05010	0.6
85.02958	9.2
85.03474	0.5
87.00882	9.6
87.04519	0.4
89.02452	35.4
91.04021	0.6
93.03506	0.4
94.31476	0.3
95.01406	3.3
97.02956	7.4
99.00893	2.5
99.04498	0.7
101.02454	35.1
103.04017	0.6
106.48670	0.4
109.02966	0.8
111.00907	0.5
111.04532	1.2
112.01680	0.3
113.02464	16.9
115.04016	1.1
119.03516	12.4
121.02982	0.8
123.00923	0.4
123.04552	0.5
125.02465	14.6
127.04008	0.6
127.71662	0.3
131.03517	1.9
133.05063	1.3
139.04034	1.3
141.01970	0.8
143.03523	6.5
149.02512	0.4
149.04572	1.2
157.05162	0.5
161.04579	9.3
167.03410	0.7
169.05066	0.6
171.02957	0.4
179.05630	7.3
181.04924	0.3
185.04616	0.7
199.06093	0.6
202.30101	0.3
203.05617	0.7
217.07181	1.3
219.05080	0.5
221.06625	2.6
229.12462	0.3
233.22711	0.4
235.08249	16.7
236.08852	0.3
245.06628	0.8
253.09309	4.1
259.20520	0.5
263.07700	1.8
275.20218	0.6
277.09299	1.3
277.21744	100.0
278.22110	3.7
287.07782	3.7
291.23367	0.4
305.08774	4.1
323.09885	1.7
361.11502	0.6
379.12415	1.3
397.13519	88.5
398.13708	2.7
415.14590	37.5
416.14920	1.3
579.22241	0.3
675.35583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03438	1.0
58.00598	0.7
59.01385	59.6
61.98832	6.6
63.02917	0.5
68.99809	0.8
69.03456	2.7
71.01389	39.1
72.99313	1.6
73.02948	8.2
75.00867	1.1
78.95921	1.9
81.03447	1.6
81.39134	0.5
83.01407	4.7
83.05030	0.6
85.02959	8.4
87.00889	9.9
87.04528	0.6
89.02453	35.0
90.32446	0.4
91.04028	0.7
95.01395	2.9
97.02960	7.2
98.22627	1.2
99.00885	1.9
101.02454	32.1
103.00390	0.7
111.04567	0.6
113.02462	17.9
115.04025	0.7
119.03518	12.3
121.02959	1.1
125.02459	13.7
127.04009	0.9
131.03505	1.7
133.05063	1.3
139.04010	1.0
141.01939	0.9
143.03506	6.4
149.04639	0.7
152.99641	0.8
161.04572	7.1
167.03503	0.8
179.05635	7.4
185.04567	0.7
197.04520	0.6
199.06276	0.9
209.11707	0.9
210.12308	0.5
210.97343	0.5
214.82066	0.5
217.07158	1.5
221.06693	3.0
224.97044	0.5
235.08235	16.3
245.06688	0.9
253.09323	3.6
257.48615	0.6
259.20639	0.5
263.07736	1.5
275.20178	0.5
277.09229	1.2
277.21744	100.0
278.22064	3.6
287.07813	3.3
305.08786	4.1
314.12589	0.5
322.00974	0.5
323.09811	1.9
361.11496	0.8
379.12485	1.2
397.13522	82.6
398.13730	3.0
415.14594	35.9
494.49982	0.5
593.28320	0.7
641.16339	0.6
675.23187	0.6
675.34595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.1
59.61575	1.0
63.64317	0.9
67.01881	2.0
69.03456	2.8
69.07681	4.2
69.08087	2.0
71.01373	2.8
72.99283	1.0
78.01099	2.1
79.01889	2.5
81.03434	2.6
83.01374	1.6
85.02956	1.4
87.00871	1.1
89.02429	1.9
95.01391	8.0
96.95992	3.5
97.02953	3.4
99.00840	0.9
101.02468	2.2
107.00722	1.6
107.01400	20.5
111.00875	3.5
113.02500	1.5
121.02952	1.2
121.06587	1.0
123.00906	26.0
124.01672	24.1
125.02464	94.1
126.02780	1.2
127.00414	1.1
135.04526	0.9
136.98784	2.4
139.00377	5.3
139.07649	0.9
140.01202	5.8
141.01932	4.5
145.05763	1.0
147.04715	1.0
151.00401	5.6
153.01941	1.2
163.03983	1.5
166.18521	0.8
166.99863	7.1
168.00674	9.8
169.01447	95.2
170.01758	2.2
175.03986	1.7
177.50612	0.9
179.03511	1.2
183.06604	1.1
193.01363	1.2
203.03490	1.4
208.65404	0.8
219.02803	1.3
245.97362	1.1
249.04016	2.9
299.33170	0.8
307.73987	1.0
337.09204	3.0
339.10709	2.0
355.10333	11.9
373.11462	27.1
374.11780	1.1
399.39795	1.0
471.31110	4.7
507.11450	27.0
512.76367	0.9
515.30292	7.4
525.12457	49.1
526.12708	2.3
557.31104	2.8
558.28186	0.9
639.34277	0.9
640.34875	1.2
656.78003	0.9
676.32269	1.4
677.13580	100.0
677.30182	7.1
678.04089	1.2
678.14160	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	677.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88769	0.8
55.01878	1.0
57.03455	1.1
59.01369	3.5
64.82796	0.8
69.46828	2.6
71.01398	1.6
72.99332	1.2
77.90350	0.8
83.01385	3.0
87.75375	0.7
96.96034	1.7
99.00891	19.4
101.02467	3.9
109.02946	0.9
111.45403	0.8
117.01951	9.9
119.05013	4.7
120.87640	0.8
125.02456	2.8
130.68443	0.8
135.04546	2.5
135.07860	0.8
145.01445	93.0
146.01764	0.9
149.06097	0.9
163.02509	100.0
169.01390	3.1
179.03467	1.9
187.00525	0.8
187.02386	0.9
205.03578	7.3
229.01350	0.8
275.01974	1.7
300.99774	4.5
309.06165	7.2
338.46872	1.0
338.73898	0.8
394.67346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56474	0.3
59.01386	2.7
61.98830	1.2
63.10356	0.3
67.01879	1.1
69.03465	1.1
71.01392	2.1
73.02948	0.8
78.01096	0.9
79.01898	1.4
80.84773	0.3
81.03455	1.0
82.00611	0.4
83.01386	0.8
85.02959	1.1
87.00878	0.4
89.02456	0.5
93.03461	0.3
95.01382	2.6
96.96008	0.4
97.02966	1.5
98.21804	0.6
101.02446	1.2
107.01396	7.9
107.05137	0.3
109.02974	0.3
110.00140	0.5
111.00925	1.6
113.02444	0.8
123.00909	13.7
123.04536	0.4
124.01684	15.5
125.02467	36.4
126.02784	1.1
127.00378	1.1
135.04515	0.7
136.98814	0.6
138.03146	0.4
139.00397	2.8
140.01176	2.6
141.01952	2.2
145.03012	0.4
151.00392	5.8
153.01909	0.8
162.06740	0.3
163.03989	0.7
166.02649	0.3
166.99852	1.2
168.00653	6.4
169.01447	42.4
170.01768	0.8
175.03986	0.5
179.03529	0.5
191.03589	0.5
193.01367	0.6
205.01366	0.4
207.03049	0.4
211.02469	1.6
237.04047	0.7
271.04675	0.5
275.01886	0.6
295.04761	0.4
300.99878	1.1
313.05750	1.7
324.96756	0.4
491.23056	0.5
507.22391	6.8
525.23450	14.8
525.31458	0.7
526.23950	1.3
676.36157	0.4
677.24518	100.0
678.24707	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	677.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60225	0.4
56.54602	0.5
59.01369	1.5
67.01891	0.6
69.03454	0.6
69.32002	2.0
71.01380	1.2
76.01872	0.5
79.01874	0.5
80.96357	0.4
81.03462	0.6
83.01376	0.7
84.92699	0.4
85.02997	0.5
87.00890	0.5
91.32915	0.4
94.72049	0.4
94.72684	0.4
95.01379	1.9
97.02988	0.9
98.22664	0.9
101.02452	0.9
107.01411	6.6
111.00873	1.9
113.02468	0.7
123.00901	11.2
124.01683	14.3
125.02463	30.9
127.00380	0.9
136.98784	1.3
139.00357	2.2
140.01164	1.9
141.01917	1.5
145.02972	0.6
151.00380	5.4
153.01959	1.4
166.99840	1.1
168.00655	7.3
169.01440	36.0
179.03423	0.5
207.03030	0.6
211.02499	1.2
237.04140	0.7
262.18051	0.4
275.02029	0.6
295.04510	0.6
300.99915	0.8
313.05472	0.9
313.19135	0.5
378.03564	0.5
470.53879	0.5
507.22440	5.9
525.23444	12.9
526.23724	1.6
571.20337	0.6
573.21173	0.5
677.24518	100.0
678.24786	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	677.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91598	10.9
59.01382	31.3
61.98846	90.3
69.27946	12.5
71.41322	13.9
74.41190	11.6
90.61958	11.5
107.67596	11.1
109.06586	15.0
116.92878	28.2
169.01443	23.5
169.12407	13.6
171.10268	27.2
188.48511	12.7
197.11838	100.0
207.10271	53.7
209.11777	15.3
211.13461	23.5
225.11305	25.6
253.09326	14.7
299.15088	11.0
396.27518	12.4
609.27600	12.8
623.30688	72.7
624.31018	17.5
641.32074	54.1
677.29736	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57168	10.1
59.01370	36.4
60.32669	8.7
61.98822	16.2
69.43942	49.4
69.75439	9.5
71.01390	12.1
78.95901	38.5
85.02995	12.5
98.21837	18.1
101.45595	11.5
113.02497	19.0
126.99581	100.0
139.94577	10.8
152.99568	15.9
156.21127	10.1
161.04555	17.8
170.91252	12.3
171.10240	10.7
178.90230	9.7
207.10138	22.5
209.11830	24.8
211.13428	76.8
224.71971	10.2
225.85446	10.7
323.09662	18.3
341.23276	17.1
383.45859	11.5
506.67804	14.2
588.79852	12.5
649.90698	14.9
677.34619	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.8
59.70511	0.8
71.01379	4.6
79.13066	0.9
80.77465	0.8
85.02942	1.8
89.02469	7.4
92.70185	0.8
96.96008	1.9
101.02448	3.8
113.02439	2.7
119.03457	2.6
123.00864	1.6
123.81326	0.8
124.01712	1.1
125.02493	4.4
147.00449	0.9
150.03281	2.1
159.10309	1.2
159.56120	0.9
163.03999	1.6
165.05571	1.5
167.03477	1.7
168.00647	1.2
169.01471	6.8
223.06120	3.4
261.01630	1.5
275.02026	2.2
300.99945	3.5
321.15350	1.4
333.79401	0.9
458.04089	1.0
641.35480	39.4
642.35608	2.9
677.33154	100.0
678.33514	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	677.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64429	2.5
59.01387	24.8
61.98841	7.9
69.92795	6.4
69.93163	5.4
71.01395	11.7
73.02953	3.0
83.05018	6.3
83.16664	3.4
85.02975	3.0
89.02468	5.7
96.96040	3.5
101.02446	4.9
103.55322	2.9
106.95361	3.1
113.02453	4.4
123.00911	3.6
125.02472	5.6
135.04541	5.2
161.04785	3.6
169.01468	5.7
169.12296	3.3
171.10284	96.0
172.10643	3.6
172.48344	3.1
197.11783	7.0
199.09694	4.5
209.09851	4.8
209.11845	100.0
210.12224	11.3
211.12442	8.2
227.12878	11.4
228.13507	2.9
253.09372	10.0
257.00848	2.9
300.99896	7.4
372.16467	3.6
445.20627	3.8
471.31097	3.7
557.68439	3.5
638.66785	3.0
659.32745	5.5
677.34302	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	677.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67400	1.0
58.67723	1.1
59.01388	36.5
59.21381	1.1
61.98815	3.0
71.01390	7.6
73.02948	2.4
78.95918	1.5
81.03458	1.4
81.94288	1.0
83.01395	1.6
83.05019	5.3
85.02985	2.6
87.00888	1.8
89.02438	4.4
96.96008	2.0
101.02441	5.8
113.02455	3.8
119.03523	1.1
123.00860	1.4
125.02441	4.6
127.11298	2.3
135.04526	3.8
144.51772	1.1
151.11230	3.2
161.04591	2.1
163.11263	2.8
165.12805	2.5
169.01418	5.0
169.12364	27.7
171.10291	62.4
172.10655	1.6
179.03525	1.6
199.09679	1.6
209.11856	63.6
210.12231	3.6
213.11407	2.6
227.12915	9.0
231.12392	2.7
253.09268	4.0
271.04630	1.4
275.01865	1.5
293.09497	1.2
295.10928	1.2
300.99838	3.8
467.22009	2.0
472.31720	1.3
482.18469	2.0
487.65381	1.5
527.36652	1.2
581.53345	1.3
645.26172	2.7
659.33533	6.2
677.24402	3.9
677.34003	100.0
678.23853	1.1
678.34406	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46738	0.5
53.38154	0.4
55.01868	1.5
57.03435	0.9
59.01386	47.9
59.54364	0.5
61.48505	0.4
69.03446	1.9
70.64842	0.8
71.01389	32.7
72.01705	0.7
72.99303	1.0
73.02955	5.4
75.00860	0.6
78.95899	0.6
80.84286	0.4
81.03466	1.1
83.01402	4.0
85.02969	6.7
85.62027	0.4
86.00084	0.5
87.00884	7.7
89.02454	29.5
89.88827	0.4
90.02811	0.7
91.24377	0.4
95.01401	2.8
97.02953	6.4
99.00879	1.7
101.02456	27.5
111.04508	1.0
113.02460	14.1
115.04009	0.5
119.03519	10.4
121.02975	0.6
125.02458	10.7
126.02785	0.5
131.03514	1.9
133.05077	1.2
139.04022	1.1
141.01956	0.6
143.03473	4.5
149.04530	0.8
161.04599	6.2
169.05072	0.7
171.02946	0.5
179.05614	6.1
199.06210	0.7
201.73108	0.5
217.07143	1.4
221.06702	2.0
235.08228	13.4
235.10600	0.6
253.09311	3.0
259.42700	0.5
263.07672	1.7
277.09314	1.0
279.23315	100.0
280.23666	5.7
287.07758	2.5
305.08749	3.0
323.09872	2.1
379.12518	0.7
397.13528	70.3
398.13861	3.9
415.14597	30.2
416.14926	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65794	0.3
59.01382	0.4
69.16848	1.6
81.03008	0.6
81.03463	9.3
82.06637	0.5
83.05033	24.2
84.05357	0.5
98.22758	0.4
100.07722	0.3
107.06143	0.6
108.04558	0.8
124.01661	0.4
125.02449	1.0
125.07220	1.4
143.08267	0.6
151.49265	0.2
153.82794	0.2
159.29112	0.3
169.01437	1.1
207.15051	1.8
224.17712	4.1
225.16092	14.8
226.16486	0.7
242.18643	1.3
262.05814	0.4
288.31531	0.3
290.22598	0.4
291.20859	0.4
309.21866	1.1
324.26645	0.6
333.22946	1.1
341.29169	1.1
367.27179	1.2
433.32187	1.5
450.34491	1.6
451.32932	6.7
471.31189	4.4
472.31174	0.6
507.10580	0.3
515.30170	2.8
516.30560	0.4
550.43237	0.9
557.31134	1.4
559.39636	0.5
565.44183	0.4
593.44025	0.5
659.48328	1.5
677.49719	100.0
678.49988	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	678.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51345	0.5
58.20994	0.5
58.88027	0.4
59.01385	5.6
60.99311	14.8
61.98830	3.7
69.09009	0.4
71.01389	1.7
73.02955	0.6
84.95079	0.6
85.00415	0.6
85.02955	0.9
87.00880	2.2
88.98814	100.0
89.02451	3.7
99.00916	0.5
101.02451	1.9
104.21119	0.6
107.01443	0.6
113.02440	0.6
123.00928	0.6
125.02438	2.3
127.63754	0.5
135.04549	0.7
136.07684	0.7
149.04659	0.5
161.92636	0.5
166.10367	0.5
169.01427	2.2
169.12402	0.5
171.10304	0.9
186.40688	0.5
209.11887	2.3
210.12306	0.6
219.08372	0.5
300.99954	0.6
307.10706	0.6
473.29117	0.7
549.59137	0.5
588.24078	0.7
660.34241	0.7
677.35858	0.9
678.25415	1.6
678.36322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96022	0.9
59.01371	1.5
61.98824	1.2
67.01878	1.1
67.21646	1.0
69.03455	1.1
69.61111	5.1
71.01385	4.5
79.84596	1.0
83.01386	2.0
85.02965	2.1
87.00872	1.3
87.17807	1.0
92.16144	1.2
95.01382	1.5
96.96006	4.4
97.02977	2.2
98.22560	2.2
107.01407	12.1
109.02950	1.1
111.00901	4.5
113.02483	1.9
121.41586	1.0
123.00887	19.3
123.04546	1.6
124.01667	18.7
125.02459	75.4
126.02769	1.2
127.00366	1.7
128.31268	1.0
131.08266	1.8
136.98816	2.0
137.02454	2.2
138.03241	1.3
139.00409	4.8
139.04053	2.0
140.01163	4.7
141.01941	3.5
145.02948	1.6
149.02443	4.0
150.03218	16.6
151.00401	9.5
151.04004	3.5
153.01921	1.6
153.05611	1.1
161.02470	1.5
162.03180	1.3
163.04025	2.9
164.04800	1.4
165.05595	9.6
166.99834	2.1
168.00656	14.9
169.01431	100.0
170.01765	1.3
175.03972	1.3
179.03484	2.1
183.02988	6.8
189.68431	1.0
191.03586	1.4
195.06750	1.1
202.20593	1.1
205.05132	1.3
210.01695	1.4
211.02486	5.8
225.04012	3.8
240.54942	1.1
241.03456	1.1
271.04605	3.1
285.06198	5.8
295.04773	2.1
297.06140	2.6
300.99838	3.2
313.05667	21.2
327.07013	1.8
367.06824	1.3
372.92032	1.1
385.07742	1.9
423.26273	1.1
449.07388	1.3
461.10870	3.4
479.11972	27.7
491.11734	1.2
509.12787	4.3
527.14093	85.6
528.14215	4.2
555.10376	1.7
590.73273	1.2
631.12866	6.1
661.13745	2.3
679.15186	94.5
680.15552	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	679.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63746	0.7
59.01380	7.0
69.03446	1.5
70.99373	0.8
71.01396	2.1
79.01880	0.9
79.95742	0.9
82.43452	0.9
85.02965	0.9
87.00874	1.1
90.74283	0.9
95.01338	1.2
96.96028	4.3
97.02942	2.2
98.21873	2.3
101.02493	1.2
106.90748	1.0
107.01400	12.8
107.02076	1.6
109.02988	1.2
111.00887	2.1
113.02397	1.4
121.02962	0.9
123.00906	13.3
124.01667	15.2
125.02458	69.0
127.00304	0.9
136.98830	0.9
137.02420	1.5
139.00378	3.5
139.03999	1.4
140.01122	3.5
141.01904	2.1
145.01389	1.0
145.02933	1.1
149.02399	2.5
150.03252	7.7
151.00352	6.4
151.04005	1.6
161.02408	1.1
161.08246	5.9
162.03235	2.1
163.03970	2.3
164.04735	1.1
165.05579	5.9
166.99873	1.9
168.00658	8.5
169.01440	100.0
170.01723	1.8
179.03421	1.1
179.30972	1.0
181.01277	1.2
183.02983	6.7
211.02397	5.7
223.02484	1.0
225.04079	2.1
229.72159	1.0
237.03978	1.2
271.04626	3.4
275.01971	3.1
285.06143	2.3
297.06259	1.7
300.99921	3.2
313.05618	11.9
347.00455	1.0
431.11594	1.1
465.06647	1.7
479.12085	8.7
491.12180	1.3
509.13040	2.1
527.14081	37.5
528.14362	3.2
631.12952	2.8
661.14587	1.4
679.15137	92.2
680.15466	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	679.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91058	1.2
57.20600	1.2
57.52909	1.0
61.19490	1.1
69.11506	5.4
69.11928	2.7
71.01379	1.7
79.01855	1.3
83.34592	1.1
95.01395	2.3
98.22632	1.8
106.53018	1.2
107.01418	8.3
111.00880	2.6
120.69142	1.1
123.00907	9.7
124.01685	15.2
125.02456	52.0
136.98778	1.3
139.00359	2.1
140.01093	1.6
149.02412	2.0
150.03278	7.0
151.00385	4.3
153.05653	1.2
165.05615	5.2
168.00694	9.8
169.01447	62.5
183.02998	3.3
188.51039	1.0
211.02472	4.0
225.04124	1.6
278.22668	1.0
280.27542	1.0
285.06189	1.5
295.04498	3.2
297.06317	1.9
313.05710	8.6
385.07672	1.5
461.10892	2.7
465.06619	1.9
479.11954	5.6
509.13043	1.4
527.14081	3.6
553.44421	1.3
562.60724	1.3
631.12885	5.1
679.15155	100.0
680.15387	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	679.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.5
61.38776	0.9
61.80479	0.9
61.98835	24.3
69.03463	1.0
71.01391	7.6
79.01884	1.5
81.03447	1.1
83.01385	2.0
85.02965	3.3
86.19233	0.9
89.02442	6.1
93.91961	1.0
95.01402	2.3
96.10458	0.9
96.96037	1.4
97.02966	1.8
98.22734	1.4
101.02454	8.0
107.01444	5.3
111.00878	1.7
113.02487	6.3
117.00841	1.2
119.03469	2.2
123.00901	11.9
124.01680	6.8
125.02459	44.4
130.45200	1.0
135.04535	9.2
139.00310	1.5
140.01122	1.4
141.01971	1.8
143.08014	1.0
144.43236	0.9
148.52341	0.9
151.00400	6.5
168.00647	5.8
169.01442	51.5
177.01936	1.7
179.03558	1.9
193.01511	1.3
195.13922	3.5
197.11882	1.5
209.11847	2.3
211.02499	11.5
213.14816	1.2
271.04520	10.6
313.05768	1.5
455.99887	1.0
483.08054	1.5
487.34357	2.0
499.30667	10.3
509.20267	1.2
527.21399	27.7
528.21722	1.2
619.38507	1.7
648.30090	1.0
679.22430	100.0
680.22845	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	679.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
61.98811	1.3
67.01892	0.8
69.03463	0.9
71.01384	2.4
71.24696	0.3
72.99316	0.4
73.02934	0.4
78.29696	0.3
79.01880	0.8
81.03453	0.7
82.00632	0.4
83.01377	0.7
85.02959	0.8
87.00872	0.7
89.02453	0.8
94.02976	0.4
95.01405	1.8
96.96027	0.6
97.02949	1.2
101.02454	1.1
107.01399	6.0
110.00133	0.3
111.00896	1.8
113.02441	1.3
115.00240	0.3
116.92883	0.3
123.00899	10.5
124.01671	10.0
125.02458	30.4
126.02728	0.5
127.00352	0.7
136.98798	1.1
137.02451	0.3
139.00385	2.4
140.01164	2.6
141.01964	1.6
144.65649	0.3
145.02863	0.3
151.00381	6.1
153.01926	0.5
161.06117	0.3
163.03992	0.8
166.99802	0.7
168.00661	5.9
169.01442	36.5
170.01797	0.7
177.05536	0.3
179.03444	0.6
181.01414	0.4
193.01433	0.5
193.05005	0.4
197.25677	0.3
207.48958	0.3
211.02519	1.7
237.04102	0.5
238.31407	0.3
241.03395	0.5
253.36549	0.3
293.06665	0.8
300.99985	0.6
301.05579	0.6
310.97339	0.3
313.05585	1.3
319.12469	0.4
351.09930	0.4
432.96524	0.4
493.24503	0.4
509.23880	7.6
522.22681	0.7
527.25061	17.0
528.25049	0.6
619.31061	1.2
647.26788	0.7
679.26099	100.0
680.26349	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	679.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90482	0.4
52.22101	0.4
55.01888	0.5
57.01982	0.4
59.01387	4.7
61.98835	1.9
67.01906	0.7
69.03445	1.1
71.01385	1.6
79.01910	0.9
81.03470	1.0
82.00617	0.8
83.01398	1.5
85.02956	1.2
87.00909	0.7
89.02440	0.7
95.01392	2.7
96.96040	0.5
97.02958	1.5
101.02445	0.8
107.01389	6.4
109.02972	0.5
111.00870	2.1
113.02468	1.1
119.05027	0.5
123.00904	12.9
124.01680	15.3
125.02463	33.5
127.00370	0.7
133.02986	0.5
136.98830	0.9
139.00438	2.8
140.01186	3.4
141.01930	1.6
145.02959	0.6
151.00380	6.9
153.01913	1.1
163.04002	0.5
166.99883	0.5
168.00670	6.5
169.01448	36.8
170.01784	0.7
175.03964	0.5
177.02057	0.5
193.05069	0.7
211.02519	1.9
237.04050	0.6
280.39111	0.5
313.05551	0.9
388.34113	0.5
509.23941	8.0
522.22266	0.7
527.25049	15.7
528.25000	1.0
619.31409	1.9
679.26117	100.0
680.26617	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	679.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.6
61.98834	34.4
71.01393	2.0
89.02509	1.8
101.02424	2.0
121.18684	2.0
125.02522	3.7
139.57690	1.8
140.04280	1.6
141.15338	1.9
163.11282	3.2
169.01451	4.4
169.12370	1.9
180.38416	1.7
197.11852	64.5
209.11848	100.0
210.12061	3.4
227.12926	24.0
235.08267	2.6
253.09352	8.6
433.20996	6.1
445.20590	9.1
557.67261	2.1
576.77747	2.2
625.32080	5.3
679.31036	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	87.1
61.98827	53.8
65.32187	19.3
69.32227	19.4
71.01377	35.3
71.56036	17.4
73.37042	18.8
108.90334	19.8
113.21201	19.5
145.33833	19.3
148.67888	23.7
157.41679	19.5
169.01353	28.2
171.10358	21.3
195.55522	18.4
197.11823	100.0
203.86563	20.8
209.11790	39.7
227.12871	53.7
233.11687	25.3
240.68681	20.3
365.63974	26.9
403.18723	19.9
630.89948	19.1
679.29645	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	679.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01385	100.0
60.01728	0.9
65.30180	0.4
65.33596	0.4
69.47738	0.4
69.48092	1.8
71.01388	4.9
73.02966	0.7
85.02962	2.2
89.02467	2.1
95.97708	0.3
96.96024	0.4
98.21868	0.7
99.00870	0.6
101.02451	2.0
101.06231	0.4
113.02475	1.5
119.03540	0.9
125.02507	1.2
136.07718	0.5
141.09250	0.4
161.02484	0.7
161.04646	0.5
161.13518	0.5
169.01459	0.5
179.05699	0.6
187.11414	1.1
205.12349	0.8
209.11983	0.9
261.15030	0.5
292.85355	0.4
300.99991	0.9
343.18942	0.5
390.52841	0.4
415.25281	0.4
457.25922	2.6
485.37668	0.4
499.21701	2.4
619.31250	19.5
620.31830	1.2
641.35669	1.4
679.33783	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	679.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.9
59.01385	72.1
61.77959	0.7
61.98808	0.8
71.01019	1.3
71.01395	16.3
72.99304	0.9
73.02950	3.3
83.01391	1.1
85.02968	6.8
85.22121	0.8
87.00883	2.2
89.02462	9.0
95.01406	1.6
96.96030	1.2
99.00880	1.1
101.02458	9.2
107.01431	1.9
110.16693	0.9
111.00857	1.1
111.54110	0.8
113.02467	8.1
117.30649	0.7
119.03503	4.2
123.00883	4.0
124.01641	2.8
125.02466	8.5
128.58647	0.9
139.00381	1.1
141.09293	0.9
143.03506	1.1
161.04550	2.3
168.00621	1.7
169.01439	9.0
244.08794	0.8
247.62579	0.9
249.15135	0.8
271.17041	1.0
274.12146	1.7
275.12726	1.1
277.14429	0.9
305.06860	1.0
397.23502	1.0
415.24915	5.6
439.24866	2.7
440.42261	0.8
457.25909	3.5
527.25110	6.0
601.30634	3.2
619.31268	100.0
620.31616	7.5
679.25763	21.5
680.26215	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	679.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.7
60.99298	0.6
61.98810	0.6
68.99818	0.5
69.53997	1.8
71.01381	1.6
83.67300	0.4
89.02456	0.5
96.95993	0.8
101.02428	1.1
113.02432	0.9
125.02491	0.5
125.71432	0.5
144.91270	0.5
154.87674	0.5
169.01331	1.0
289.09714	0.4
377.28586	0.7
385.28802	0.5
387.78506	0.5
407.29327	1.1
423.28958	1.3
425.30515	4.7
426.30753	0.6
437.30481	2.0
441.30054	1.3
451.28574	1.1
453.30090	1.7
455.31708	25.9
456.31815	2.2
469.29556	26.6
470.30032	1.6
483.31354	0.7
505.12949	0.5
511.30490	1.6
517.31738	1.3
631.35126	5.8
679.37000	100.0
680.37451	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	679.3704
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
58.00617	0.7
59.01379	5.1
60.15647	0.3
61.98846	0.5
69.58187	1.2
71.01381	2.3
74.91918	0.3
85.02970	0.5
85.34186	0.3
89.02441	1.6
93.72646	0.3
95.01455	0.3
101.02497	1.1
113.02464	3.7
119.03561	0.5
125.02496	0.5
160.43370	0.3
161.04626	1.1
165.02007	0.4
169.01424	0.5
175.04256	0.3
180.04428	0.3
195.06708	0.3
214.03825	0.3
300.99835	0.4
423.29257	0.4
473.32742	100.0
474.33087	7.0
487.33978	0.6
517.31726	93.2
518.32104	6.5
531.33350	4.4
532.33667	0.7
559.32776	43.0
560.33185	2.9
589.33795	5.0
619.34875	3.0
620.36121	0.4
679.37238	5.8
680.36694	0.8
680.48450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4071
Annotation	Beesioside D
Peak:m/z	Relative Intensity
51.98373	0.8
56.81906	0.8
57.03442	3.0
59.01384	100.0
59.19472	0.9
59.80880	0.8
61.98842	6.7
68.63744	0.9
69.03463	1.3
69.22954	5.8
71.01389	24.3
71.01784	1.5
73.02618	1.1
73.02955	10.5
81.07106	1.1
81.66248	0.9
83.01385	2.9
85.00472	1.5
85.02957	10.2
87.00869	2.0
88.98801	1.7
89.02455	7.9
95.01405	4.5
96.96024	1.9
98.22726	1.8
99.00893	1.3
99.04549	1.1
101.02463	11.0
113.01704	1.6
113.02462	18.7
113.51450	1.0
116.92873	1.3
119.03472	1.6
125.02480	4.3
126.90392	1.3
135.04539	1.9
137.06056	1.0
143.03470	1.3
161.04572	4.0
163.07678	0.9
169.01477	4.8
179.05640	1.0
193.12242	1.4
205.12355	1.1
209.11790	1.1
221.11790	6.6
233.15474	1.1
234.12619	3.6
235.13341	2.5
259.17065	1.6
269.15451	1.8
285.18680	5.7
303.19659	15.3
355.24863	3.4
395.05069	1.1
454.19992	2.2
457.33282	3.6
475.34424	6.3
601.37549	3.6
617.26465	1.2
619.38556	79.0
620.38867	7.9
637.39606	15.2
679.40765	8.0
680.38477	1.0
697.74237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56371	68.2
61.98827	100.0
66.74452	81.1
102.31004	78.4
103.56659	72.3
309.38638	73.3
668.69000	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31133	0.2
57.02185	0.2
59.01130	0.2
59.01371	1.4
61.98835	100.0
71.01389	0.3
75.64005	0.2
101.02467	0.2
104.34848	0.2
113.02569	0.3
116.92914	0.2
125.02483	0.4
143.11212	0.3
150.67938	0.3
155.35124	0.2
156.24527	0.2
169.01440	0.3
193.54208	0.3
222.23289	0.2
246.31631	0.2
594.22467	0.5
680.25854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55298	0.3
52.43438	0.3
59.01393	2.5
61.98835	100.0
68.15205	0.2
69.32422	1.4
71.01383	0.4
80.10294	0.3
80.96497	0.3
98.21835	0.3
100.28638	0.2
111.25604	0.2
124.42153	0.3
169.01465	0.4
171.10320	0.4
209.11871	0.6
243.60580	0.3
284.51584	0.3
352.53247	0.2
411.32449	0.3
487.34647	1.0
488.34698	2.0
501.81381	0.3
680.27264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.3
61.98838	100.0
74.73615	0.3
82.56284	0.3
88.41315	0.3
122.59857	0.3
217.33572	0.3
334.79477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41954	0.6
55.45158	0.5
59.01379	2.0
63.02370	0.5
65.00331	0.8
66.86870	0.5
69.23948	0.6
71.42556	0.5
73.96423	0.6
87.00842	0.6
91.05537	5.7
96.96013	0.7
107.01371	1.6
108.02187	1.5
117.07097	1.2
119.01626	0.7
121.03003	0.7
125.02445	1.2
133.06618	2.0
135.00905	0.6
148.01714	0.8
150.99303	0.6
151.00391	4.0
161.06061	2.9
163.00404	1.0
163.04060	4.3
169.01421	1.1
178.99881	2.8
223.06120	12.7
224.06474	1.7
226.02814	1.5
227.03485	2.4
243.02960	11.3
244.03571	1.0
254.02226	2.6
255.02995	24.7
256.03287	1.3
271.02502	55.6
272.02991	3.2
273.03970	1.1
299.02029	1.6
300.02774	100.0
300.99997	1.1
301.03378	8.6
428.44363	0.7
538.54218	0.7
550.21393	0.9
595.13391	1.9
637.14130	49.4
638.14618	4.4
680.32953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83607	0.7
61.98827	0.8
70.71062	0.9
78.01125	0.8
93.03475	1.7
93.69741	0.9
105.03445	3.0
117.03445	2.0
119.05039	100.0
120.05402	2.1
131.75383	0.8
132.02170	2.3
133.02975	9.6
134.03767	11.8
134.90831	0.8
135.04555	7.0
143.79361	0.9
145.02966	4.3
147.04576	1.7
148.05266	0.9
149.06065	2.1
158.89285	0.8
160.01695	6.5
160.93411	0.8
161.02443	5.8
161.06134	1.4
162.03052	0.7
163.04030	81.0
164.04262	1.5
166.70947	0.9
175.04030	8.5
177.01802	1.0
178.02704	2.1
179.03490	3.7
193.05096	6.8
207.06575	0.8
236.24574	0.8
237.05397	0.8
265.08649	1.0
293.08249	2.4
294.09079	1.6
311.09280	1.7
326.11627	1.9
360.21909	0.8
384.98608	0.8
418.66812	0.9
423.36758	1.0
429.81873	1.0
487.12790	2.2
487.17715	5.5
502.16422	4.4
503.17139	1.5
517.18671	57.1
518.18988	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	681.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16475	0.6
55.01878	3.8
57.03460	4.1
58.00595	0.8
59.01385	64.2
60.93294	0.7
61.98837	1.1
63.97586	0.7
68.27266	0.7
69.03462	2.0
69.29131	0.6
71.01389	72.5
71.43135	1.1
72.71073	0.7
72.99303	1.9
73.02953	11.3
75.00842	1.0
81.03474	1.6
83.01397	8.5
85.02960	37.4
87.00887	6.8
89.02453	38.2
93.03471	2.0
95.01408	5.9
97.02972	5.5
99.00891	27.8
101.02452	52.4
108.02186	1.5
109.02953	2.2
113.02460	50.3
115.03950	0.8
119.03513	19.0
121.02940	1.8
122.03720	1.3
125.02457	6.3
131.03493	3.3
136.01677	30.9
137.02475	3.9
140.49699	0.7
143.03517	16.0
149.04527	1.0
151.04024	23.3
155.03511	2.0
159.02982	2.8
161.04567	49.2
162.04814	0.8
169.01398	1.5
179.05612	13.1
203.05630	2.6
221.06668	5.9
245.06725	2.0
299.16595	1.3
303.14645	1.4
317.17761	0.9
323.09857	100.0
324.10223	2.1
342.10907	1.1
357.13431	4.9
621.32068	1.1
681.23914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.3
59.01380	5.2
61.98820	1.7
63.02403	9.6
65.00319	7.0
69.42462	2.2
71.01044	0.5
71.01402	2.2
81.03453	1.5
82.29012	0.5
83.01391	6.8
85.02947	1.1
89.02454	2.4
93.03432	0.7
95.01381	0.9
101.02438	1.1
107.01395	15.1
107.05025	0.6
109.02956	3.1
113.02447	0.8
115.50948	0.4
121.02988	0.8
123.00943	0.5
123.04549	3.3
124.01673	0.9
125.01639	0.9
125.02464	11.3
131.04961	0.7
133.03033	1.2
133.04021	0.5
135.00934	0.7
135.04535	2.2
137.02461	1.7
142.32109	0.5
143.03377	0.5
143.04974	0.5
145.06741	0.5
147.04527	0.6
148.05281	0.5
149.06104	1.3
151.00386	41.0
151.04004	1.4
152.01038	1.2
153.01953	5.0
157.78763	0.4
159.04521	3.3
161.02486	2.3
161.05948	0.5
163.00385	1.1
165.01938	2.2
165.44804	0.5
167.03522	6.8
169.01445	7.6
170.03783	0.5
173.06123	0.8
175.04018	1.1
177.01971	1.7
177.05597	2.2
177.07988	0.5
178.99875	100.0
180.00261	1.8
181.01460	7.1
187.03983	1.8
189.05499	1.0
193.01440	6.7
195.02997	9.2
199.04021	0.7
201.05721	0.6
203.03543	2.0
204.04317	0.8
204.33171	0.4
207.06682	0.9
214.02643	0.6
215.03529	8.0
217.04996	1.2
219.02859	0.7
221.04523	1.9
225.05682	0.9
227.03448	1.3
229.01494	0.7
239.03653	0.8
242.02155	0.6
243.02933	1.4
251.05695	2.1
255.02937	0.5
255.06641	1.6
257.04684	0.5
263.05640	2.5
267.06537	0.7
269.00970	1.0
271.02441	0.8
277.56815	0.6
279.06720	0.6
281.06705	3.9
283.06177	0.6
283.09677	0.8
289.03668	2.1
293.04581	0.7
301.03625	1.5
309.03925	0.7
311.05704	1.4
311.09268	1.5
313.03513	0.8
319.04608	2.8
321.04016	1.1
326.11475	0.8
327.04901	0.7
329.06638	0.7
337.07269	0.9
341.08847	2.4
355.04547	0.6
363.04852	0.6
383.03925	0.7
391.04550	0.6
409.05722	2.8
427.06793	1.7
441.08173	0.9
443.06265	1.6
457.07620	1.0
459.09396	1.8
463.03159	0.9
477.57721	0.6
481.07761	2.0
491.06082	1.0
495.05515	1.1
509.07306	11.4
509.14313	1.0
513.06470	2.3
589.05780	0.6
607.07288	0.9
619.80933	0.6
621.08868	1.3
623.35992	1.1
639.10040	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01369	2.5
60.17351	1.0
62.29852	0.8
69.48148	0.9
71.01375	1.2
72.19373	0.9
72.99325	2.1
74.94162	0.9
82.87743	0.9
89.62177	0.9
96.96019	5.6
99.00889	13.2
101.02441	3.3
109.02962	0.9
117.01962	5.5
119.05027	6.1
123.00883	1.3
135.04358	0.8
145.01445	57.8
146.01794	1.8
163.02512	100.0
164.02882	1.0
169.01431	2.3
230.53674	1.0
250.08298	0.9
300.99878	3.2
309.06171	5.0
328.02628	1.1
431.14288	2.3
503.17267	0.9
533.17773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03426	1.5
59.01386	35.8
69.03434	1.9
71.01390	37.3
71.05039	1.4
73.02950	9.6
75.00874	2.5
83.01398	2.3
85.02962	12.5
87.00896	15.9
89.02450	18.9
95.01410	2.6
96.96029	2.1
97.02954	6.3
101.02454	25.7
109.02982	1.6
109.06575	3.9
113.02457	17.7
115.04070	1.6
119.03507	2.2
123.00937	1.6
125.02489	9.1
133.10257	7.7
135.08165	3.1
137.75160	1.3
141.01930	1.9
143.03510	8.0
149.09729	1.9
151.11322	2.4
153.09229	73.8
161.04553	6.2
161.35994	1.4
167.10776	10.8
169.01424	4.2
179.05609	6.1
179.07083	1.9
195.10294	10.2
197.08180	26.1
203.05643	6.0
221.06673	23.2
221.08664	1.6
222.07028	1.4
223.05971	1.5
239.09282	4.6
269.10205	2.2
299.11374	8.3
299.98740	1.5
300.99771	1.9
323.09680	1.5
327.33020	1.5
359.13486	20.9
387.12994	5.8
401.14484	12.2
431.15457	5.4
461.16757	18.9
485.14938	6.4
496.45880	1.5
503.17023	4.2
512.50708	1.8
521.18787	45.3
522.19159	3.4
524.79010	1.4
683.24158	100.0
684.24677	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	683.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24198	1.2
59.42906	1.0
65.53257	0.9
69.81837	2.8
77.41676	1.1
80.56657	1.0
93.03455	4.7
105.03471	2.0
108.02186	9.5
117.03477	16.3
118.04259	0.9
119.05053	16.2
121.02975	8.5
123.04527	4.2
123.56284	1.0
130.04346	0.9
130.58485	1.0
132.02180	4.3
133.02969	15.5
134.03764	22.6
135.04538	38.4
136.04890	1.6
137.02501	1.8
143.05063	6.8
144.05815	3.3
145.02969	42.5
145.06616	20.6
146.03648	1.6
147.04520	1.8
148.05330	15.6
149.06079	5.0
157.06662	1.0
158.03899	1.1
159.04536	4.8
160.01691	19.4
160.05322	4.8
161.02434	10.3
162.03185	1.2
163.03995	8.0
166.06352	5.3
175.04021	44.9
175.07596	1.5
176.04514	1.2
177.05516	1.8
178.02682	1.2
179.03531	29.3
180.03882	1.1
181.08734	3.3
188.04872	1.7
189.05640	5.7
193.05072	8.2
203.03513	1.2
204.04294	39.5
205.04803	1.6
207.06604	2.7
219.06630	11.6
237.06488	1.0
252.08307	1.0
266.09506	1.1
281.11871	1.5
295.73715	1.3
321.94440	1.1
325.10962	6.0
328.09332	1.3
341.10260	2.7
342.11130	18.8
343.11871	12.8
344.12317	1.3
357.13477	31.3
358.13928	1.7
452.95648	1.2
505.18588	1.5
507.20544	8.7
537.21234	6.0
683.24969	100.0
684.25262	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	683.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10846	1.0
59.01384	35.7
63.02398	1.7
64.20733	1.0
67.71265	1.2
68.03525	1.2
69.21750	6.7
69.51964	1.1
71.01387	24.1
73.02940	2.5
76.15137	1.2
83.01379	2.9
85.02954	7.1
87.00887	2.2
89.02448	19.8
93.03406	1.4
95.01422	1.6
101.02460	10.7
107.01373	1.8
113.02438	7.4
113.80508	1.1
114.22469	1.2
119.03543	6.8
125.02448	1.8
127.00397	1.8
131.08223	1.5
136.01726	1.1
140.22862	1.3
151.00363	3.4
154.84981	1.1
161.04572	1.4
169.01350	3.0
171.88788	1.1
173.10515	1.8
178.99925	10.9
179.05632	2.1
207.22632	1.2
208.75925	1.2
231.02974	1.8
267.06378	1.5
282.08966	4.5
295.09534	2.8
311.09274	2.4
322.98355	1.4
323.09814	1.8
326.11560	7.2
327.12253	5.1
341.13922	6.9
355.11880	5.5
357.32532	1.3
371.15039	1.9
473.14612	2.7
488.16739	5.4
503.19272	100.0
504.19666	7.3
623.34302	2.1
666.80444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10846	1.0
59.01384	35.7
63.02398	1.7
64.20733	1.0
67.71265	1.2
68.03525	1.2
69.21750	6.7
69.51964	1.1
71.01387	24.1
73.02940	2.5
76.15137	1.2
83.01379	2.9
85.02954	7.1
87.00887	2.2
89.02448	19.8
93.03406	1.4
95.01422	1.6
101.02460	10.7
107.01373	1.8
113.02438	7.4
113.80508	1.1
114.22469	1.2
119.03543	6.8
125.02448	1.8
127.00397	1.8
131.08223	1.5
136.01726	1.1
140.22862	1.3
151.00363	3.4
154.84981	1.1
161.04572	1.4
169.01350	3.0
171.88788	1.1
173.10515	1.8
178.99925	10.9
179.05632	2.1
207.22632	1.2
208.75925	1.2
231.02974	1.8
267.06378	1.5
282.08966	4.5
295.09534	2.8
311.09274	2.4
322.98355	1.4
323.09814	1.8
326.11560	7.2
327.12253	5.1
341.13922	6.9
355.11880	5.5
357.32532	1.3
371.15039	1.9
473.14612	2.7
488.16739	5.4
503.19272	100.0
504.19666	7.3
623.34302	2.1
666.80444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33456	1.1
57.03458	3.1
58.75789	1.1
59.01390	14.2
61.98817	5.3
63.12220	1.1
65.44505	1.1
66.13335	1.1
69.03452	5.2
69.10367	7.1
71.01392	6.9
71.05023	2.1
73.02950	1.8
78.02113	1.0
81.03503	1.6
83.05021	2.3
85.02956	4.2
86.06981	1.0
89.02451	4.4
89.97961	1.1
96.81902	1.1
97.02923	1.5
101.02448	5.6
104.84160	1.0
109.06609	3.8
110.03777	1.3
113.02480	1.6
123.08108	2.1
125.02515	1.7
125.09742	3.7
151.11385	1.5
152.54788	1.1
153.12849	1.1
161.09709	3.3
163.11250	2.1
165.12872	1.2
167.10704	1.6
169.01442	1.4
171.10245	1.8
171.28749	1.1
179.10806	6.5
179.14339	2.0
185.11848	1.3
195.13893	6.9
197.11842	79.5
198.12115	1.9
201.62624	1.3
205.12337	3.6
206.28784	1.1
207.10339	6.5
209.11836	19.4
217.40247	1.2
221.11922	4.6
223.09875	2.0
223.13419	18.2
225.11295	5.0
227.12854	2.3
237.14981	19.2
239.12743	2.6
241.10928	2.7
253.09250	4.9
291.19479	1.3
477.19717	3.7
535.30365	1.4
603.85651	1.5
665.32306	1.7
683.32867	100.0
684.33301	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	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.5
59.01385	12.3
61.98834	3.9
63.91084	1.6
71.01376	5.0
89.02449	5.5
95.05013	2.5
97.06606	12.2
101.02431	3.8
103.01494	3.5
113.02431	3.3
116.12429	1.7
123.08160	6.8
125.09734	100.0
126.10102	2.4
163.25404	1.6
169.08607	2.1
175.97632	1.7
177.17407	1.6
179.05661	1.9
187.09767	72.7
188.10013	2.1
192.93047	2.1
243.94595	1.5
264.66980	1.8
277.21732	18.3
378.46768	1.5
405.17657	5.1
423.18848	18.3
531.59888	2.1
683.40137	98.1
684.40320	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	684.232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.1
72.39711	0.9
77.56748	0.8
82.18561	0.8
83.10590	0.9
98.21822	2.1
277.21716	1.3
334.42255	1.1
438.13474	3.7
481.15216	29.7
482.15314	3.0
495.16901	7.8
496.16879	2.1
523.16125	1.2
539.15906	1.6
540.16675	16.1
541.16479	1.3
554.18121	3.9
555.18921	66.6
556.19293	7.4
572.15717	8.7
586.16528	2.5
641.22595	27.7
642.22528	2.1
684.23132	100.0
685.23413	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	684.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64004	2.1
59.01384	12.3
61.98836	5.8
68.96400	2.4
71.01379	8.3
78.38260	1.8
81.19270	2.2
83.05035	4.9
84.13782	1.9
85.02960	4.7
87.00901	4.1
89.02446	4.9
90.77235	2.0
91.39312	2.2
97.02955	7.6
97.61684	2.0
101.02448	7.1
109.06599	23.8
110.03747	4.2
113.02462	2.7
116.92824	3.5
121.06560	2.4
125.09722	2.1
129.79314	2.5
135.08151	2.9
163.11346	12.8
169.12367	6.5
171.10274	4.6
189.09151	2.9
197.11844	100.0
207.08321	3.2
207.10274	62.6
208.10655	4.5
209.11842	8.8
219.78725	2.1
221.11873	5.2
222.12137	3.2
224.01514	2.3
225.11359	31.0
226.11838	2.7
234.06885	2.4
235.08231	5.8
237.15034	3.6
239.12863	3.0
249.15112	2.5
253.09319	16.2
304.40817	2.6
315.02557	3.4
359.22366	6.3
369.20764	5.3
370.21686	2.3
377.23608	3.9
387.21805	14.1
405.22928	5.5
433.20581	4.8
443.19244	4.5
461.20499	11.3
541.22992	2.4
595.31152	4.6
609.56555	2.4
620.07440	2.6
623.30762	32.0
624.30945	2.2
641.31781	42.1
642.31921	5.0
684.33325	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	684.361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	52.2
64.23071	1.0
69.43787	2.7
71.01394	24.3
73.02974	1.5
77.24928	1.0
83.05029	1.7
85.02957	9.6
87.00906	4.6
89.02453	20.3
89.02956	1.9
91.05549	14.4
92.05890	3.7
95.01402	3.3
100.47794	1.0
101.02456	11.2
107.56574	1.1
113.02454	10.2
117.07113	2.2
118.07505	1.5
119.03526	9.5
123.00943	2.1
125.02463	4.2
126.02886	1.3
133.06602	4.8
134.06929	1.9
145.01555	1.2
159.10298	2.7
161.04732	2.3
161.06105	7.5
162.06436	4.0
163.04044	11.5
164.04393	6.0
169.01465	4.3
179.05629	2.4
185.76982	1.0
198.23538	1.2
223.06134	34.0
224.06473	20.1
229.75754	1.0
232.64455	1.1
272.02826	1.9
300.02847	1.7
300.99936	1.7
301.03110	2.1
301.18051	3.1
302.03342	2.1
319.19022	3.3
321.15573	3.1
459.11584	2.4
460.11859	2.3
465.52808	1.3
467.03195	1.4
479.30261	3.3
623.34338	3.0
640.14960	2.0
641.35510	100.0
642.35754	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	684.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68353	0.5
59.01370	2.0
61.98833	1.6
62.88924	0.5
70.53699	0.6
71.01384	2.1
74.54082	0.7
80.66289	0.6
84.52190	0.6
89.02447	0.8
98.22687	1.3
113.02473	0.6
158.69917	0.6
161.04466	0.7
167.14328	0.9
171.10287	2.0
183.13892	4.3
193.12253	1.1
207.10371	0.8
211.13408	100.0
212.13737	2.9
225.11264	0.9
226.90800	0.6
235.08263	1.7
245.85712	0.7
253.09218	3.9
385.44040	0.8
387.25638	0.6
429.21228	1.5
447.22382	8.6
623.34430	2.0
641.35376	1.0
676.98102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01386	50.5
59.49994	0.6
66.99028	0.7
67.07498	0.7
71.01391	24.5
71.05025	1.7
72.99290	0.9
73.02948	2.0
83.01385	1.4
83.05036	12.8
85.02956	5.7
87.00875	1.6
89.02451	27.2
95.01395	2.1
101.02456	15.6
113.02467	10.6
115.07682	2.7
119.03519	14.1
131.03479	1.1
143.03551	2.8
149.04541	1.2
153.46661	0.7
159.10286	9.9
161.04559	2.3
165.53844	0.7
169.01422	1.2
179.05614	7.9
204.06674	3.1
217.41574	0.9
267.13733	1.1
301.18289	2.3
319.19186	1.7
444.07513	0.9
461.29202	5.7
479.30148	6.3
481.24426	2.6
623.34528	2.2
624.34259	1.5
625.36298	1.9
641.35510	100.0
642.35767	8.8
685.38019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	52.2
64.23071	1.0
69.43787	2.7
71.01394	24.3
73.02974	1.5
77.24928	1.0
83.05029	1.7
85.02957	9.6
87.00906	4.6
89.02453	20.3
89.02956	1.9
91.05549	14.4
92.05890	3.7
95.01402	3.3
100.47794	1.0
101.02456	11.2
107.56574	1.1
113.02454	10.2
117.07113	2.2
118.07505	1.5
119.03526	9.5
123.00943	2.1
125.02463	4.2
126.02886	1.3
133.06602	4.8
134.06929	1.9
145.01555	1.2
159.10298	2.7
161.04732	2.3
161.06105	7.5
162.06436	4.0
163.04044	11.5
164.04393	6.0
169.01465	4.3
179.05629	2.4
185.76982	1.0
198.23538	1.2
223.06134	34.0
224.06473	20.1
229.75754	1.0
232.64455	1.1
272.02826	1.9
300.02847	1.7
300.99936	1.7
301.03110	2.1
301.18051	3.1
302.03342	2.1
319.19022	3.3
321.15573	3.1
459.11584	2.4
460.11859	2.3
465.52808	1.3
467.03195	1.4
479.30261	3.3
623.34338	3.0
640.14960	2.0
641.35510	100.0
642.35754	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	684.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45228	1.2
57.03460	2.3
59.01385	73.5
60.01721	1.3
61.98833	1.5
63.24212	1.4
63.89355	1.6
71.01388	37.6
71.05054	1.8
72.01742	1.8
73.02967	3.0
75.00894	1.3
83.01427	3.5
83.05042	10.0
85.02979	9.1
85.77586	1.4
87.00896	3.4
89.02453	38.9
95.01440	1.8
101.02451	21.9
103.76562	1.4
113.02463	16.1
118.67471	1.6
119.03516	15.2
125.02449	2.9
130.71271	1.4
131.03555	3.8
131.22256	1.5
139.00356	1.3
143.03502	4.7
159.10287	6.8
161.04585	6.2
169.01477	2.8
170.29480	1.9
179.05618	21.5
180.05978	2.8
194.69164	1.6
221.06647	5.4
222.07039	3.5
236.78394	1.5
250.80009	1.5
259.94391	1.4
312.01483	1.6
312.09750	2.6
319.19199	2.5
327.12207	1.5
347.08929	1.6
455.97809	1.5
461.29160	4.7
479.30267	4.3
623.34338	2.9
624.34961	6.0
625.35870	3.3
641.35480	100.0
642.35535	6.8
684.25714	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	685.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.6
61.98837	26.4
64.11932	3.6
71.42661	3.9
85.02978	3.6
85.11695	3.6
85.58271	3.5
88.15048	2.9
99.16003	4.0
107.01443	4.9
123.00912	14.9
124.01680	9.1
125.02473	44.0
139.00389	3.8
150.03276	4.4
151.00467	4.8
162.15700	3.7
168.00630	6.1
169.01427	59.4
169.02779	3.6
280.34232	3.1
298.91055	3.5
304.28897	3.3
318.76953	3.5
329.05161	4.1
331.22736	3.5
357.13562	4.1
371.09946	3.9
497.20389	13.5
649.11139	7.2
649.21442	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	685.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86230	0.7
58.00598	1.9
58.55855	0.7
59.01384	84.5
61.98835	3.8
63.22646	0.7
69.20168	4.6
71.01389	48.4
72.99319	2.6
73.02941	1.2
83.01385	1.6
85.02954	8.1
87.00873	3.0
89.02450	61.8
95.01405	1.5
96.96034	1.0
98.21894	1.8
101.02438	9.5
107.01400	1.4
108.02203	1.5
109.02962	1.1
113.02450	9.4
116.92870	1.5
117.03491	1.3
119.03529	3.4
121.02975	3.3
122.03756	2.4
123.00882	0.9
123.04594	1.8
124.01654	1.2
125.02440	5.3
131.03528	8.6
133.02951	1.9
134.03746	3.1
135.04567	2.3
136.01669	33.9
137.02451	1.4
145.02962	15.5
146.03748	2.3
147.04524	1.8
149.04578	11.3
149.05763	1.4
151.04024	37.9
151.05252	1.8
154.84303	0.8
160.05341	1.6
161.02477	9.1
161.04611	2.1
161.06042	1.2
162.03241	100.0
163.03827	2.6
163.32112	0.9
164.04759	1.0
165.05574	2.5
169.01416	8.4
176.04817	1.4
177.05583	86.9
178.05872	2.5
179.03442	1.1
179.05695	1.4
180.04314	1.9
190.06363	0.9
193.04991	1.1
195.06598	8.0
209.11823	1.1
219.06685	1.0
270.09125	1.2
287.14453	0.8
301.18149	1.1
327.12164	1.9
342.11215	1.0
357.09146	1.1
357.13501	14.3
393.50961	1.0
458.42715	0.9
463.30231	1.1
517.18787	17.3
518.19177	1.2
607.34808	1.7
625.35938	13.4
649.18396	2.0
685.24609	1.6
685.38745	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01660	0.6
57.03443	0.9
59.01384	16.3
69.91038	1.6
71.01382	10.5
73.02949	5.4
83.01405	1.4
85.02968	2.6
87.04534	2.7
89.02444	6.8
95.01398	1.0
97.02944	1.6
101.02462	7.0
102.57322	0.7
113.02440	4.2
119.03493	2.2
125.02460	11.5
131.03601	0.9
135.08183	1.6
137.09729	11.8
143.03479	1.1
155.10793	100.0
156.11107	2.7
158.85007	0.8
160.99493	0.7
169.12381	2.7
179.05663	1.0
181.08682	4.0
199.09776	57.9
200.10117	1.5
213.11322	2.5
221.49379	0.8
241.10826	15.0
271.11856	1.5
301.12903	5.1
343.14288	1.3
361.15018	13.3
403.16187	3.7
433.17194	1.8
505.19357	6.3
523.20258	1.2
685.25671	64.3
686.26178	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	685.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37292	0.6
56.70667	0.6
57.03442	1.2
58.00604	1.2
58.41645	0.6
59.01387	100.0
60.78327	0.5
70.32513	0.6
71.01389	42.6
72.01704	0.6
72.99318	1.2
73.02956	1.7
74.16538	0.6
83.01418	1.1
85.02962	7.4
87.00907	2.4
89.02454	59.3
95.01434	3.0
97.02998	0.8
98.22691	1.8
101.02455	20.2
113.02458	17.0
119.03522	23.5
125.02518	0.7
131.03549	2.0
143.03508	4.5
149.04633	1.7
161.04567	3.7
165.17374	0.6
169.01486	1.0
172.80696	0.6
179.05644	13.1
179.07137	1.0
252.57338	0.7
260.21387	0.7
283.11166	0.9
540.15900	0.9
625.36005	7.8
685.38562	1.3
686.25189	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	685.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
55.92716	0.9
59.01136	0.8
59.01385	12.1
62.87278	0.8
69.03448	4.2
69.23177	0.8
71.01385	7.2
71.05023	1.9
71.34551	0.8
73.02921	1.9
80.02677	1.1
81.03447	1.7
83.01377	1.2
83.05021	2.9
85.02953	3.1
87.00880	1.9
89.02436	2.8
97.02946	3.8
97.06584	2.5
98.21898	2.4
99.00888	1.1
101.02440	4.8
109.05907	1.3
109.06598	17.7
110.03735	1.7
113.02448	1.7
119.03503	1.2
121.06603	1.9
123.08163	2.7
125.09717	3.0
135.08167	1.6
151.11261	2.8
161.09718	4.9
163.11293	9.9
171.10262	5.1
179.10783	7.9
181.12378	1.3
185.11847	1.4
190.79051	1.0
197.11847	61.0
198.12163	2.0
207.10275	23.0
208.10658	1.4
209.11809	9.4
221.11819	3.6
223.09869	1.7
223.13348	3.1
225.11333	13.2
227.12724	2.2
239.12791	1.7
241.10794	4.6
253.09270	3.8
459.18600	1.1
461.19992	1.7
477.19775	4.5
482.05856	1.3
494.15845	1.0
565.39148	1.0
641.32257	1.0
667.30316	1.6
685.30762	100.0
686.31165	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	685.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.9
61.98838	5.8
69.03455	3.5
70.35200	2.9
71.01385	100.0
73.02929	4.5
81.03477	3.3
82.95377	3.8
83.05039	4.2
85.02950	4.2
87.00895	3.8
89.02463	7.8
95.05014	3.5
99.00905	3.4
101.02442	7.9
109.06590	10.1
110.03740	2.7
113.02458	7.5
125.02420	7.3
125.09769	4.7
127.11304	3.6
127.54443	2.7
135.08186	2.7
137.02496	3.8
155.10840	2.8
161.04538	2.6
163.11317	7.4
169.01465	9.9
171.10266	34.9
181.12279	6.6
181.49355	2.7
185.11900	3.7
192.34750	2.7
195.13904	6.3
197.11824	4.8
201.11319	37.3
205.12360	2.8
207.10269	25.1
209.11848	49.5
211.13368	7.6
221.11777	13.3
223.13396	56.7
225.11310	37.1
227.12917	6.2
235.08255	6.0
239.12917	11.6
241.14464	2.9
243.12457	6.0
247.13371	3.8
252.06674	2.7
253.09285	16.2
315.52856	4.8
413.23538	4.7
461.20267	8.9
516.15485	3.0
649.32318	3.3
667.33331	11.5
685.34192	20.1
686.11456	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	685.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.1
61.98838	2.9
69.98462	1.1
72.07235	1.2
98.31874	1.1
125.02518	1.7
138.02644	1.3
169.01315	1.8
176.45625	1.1
197.02248	6.9
280.48700	1.5
487.34360	100.0
488.34760	8.8
685.38086	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	685.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.4
61.98834	9.0
68.79245	0.9
69.26891	0.9
69.27211	5.4
71.01394	3.8
73.02956	1.2
74.72342	0.9
83.05058	1.0
85.02976	2.1
89.02480	1.7
97.02965	0.9
98.22692	1.7
101.02462	1.2
109.06596	1.4
113.02534	0.9
123.00917	1.5
125.02444	1.4
151.07571	1.2
155.35350	0.9
169.01469	2.6
169.12338	1.3
171.10303	2.1
181.12402	1.1
197.02232	7.3
197.11819	4.5
207.10286	2.2
209.11850	7.5
221.11789	2.3
223.09782	1.7
225.11282	2.0
239.12929	1.6
253.09254	1.7
260.24683	1.0
360.13266	2.7
390.49042	1.0
427.07944	1.0
437.45053	0.9
468.07770	0.9
469.33328	5.0
485.32834	10.3
486.32895	1.7
487.34348	100.0
488.34634	9.7
625.41791	2.0
683.06561	1.0
685.38391	23.6
686.38251	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	685.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.4
61.98829	2.4
69.03470	1.6
69.12748	1.4
70.06850	1.1
73.02929	1.5
83.05070	2.1
85.02992	1.3
90.87876	1.3
97.02967	1.7
98.21906	3.5
101.02438	1.3
109.06606	3.4
120.30482	1.2
125.02448	1.3
134.63806	1.1
136.01666	5.5
139.11618	1.3
151.04004	4.6
155.79507	1.3
163.11296	2.5
171.10266	2.6
197.02261	8.9
197.11867	6.9
207.10234	3.3
209.11877	7.3
221.11829	4.0
225.11365	3.3
227.12889	2.3
253.09334	1.9
264.19177	1.3
357.13394	4.2
402.84418	1.5
485.32388	2.1
487.34348	100.0
488.34564	10.5
685.38843	25.5
686.38379	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	685.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.9
59.01383	56.9
61.98832	3.0
71.01389	23.9
73.02960	3.7
83.01399	2.7
83.05065	0.8
85.02960	8.3
85.85564	0.9
87.00907	1.2
89.02451	19.7
90.61911	0.8
95.01387	2.3
95.75733	0.7
96.96023	0.9
98.22609	0.8
101.02454	14.2
113.02460	9.4
115.37852	0.8
117.27397	0.7
119.03516	7.6
125.02454	2.4
135.35881	0.9
151.00311	0.9
159.03033	1.0
161.04544	3.3
169.01445	1.9
178.99966	3.0
179.05586	3.8
180.05830	0.8
181.01428	0.9
267.13928	1.1
282.12637	0.9
285.14987	2.3
301.18118	5.7
425.21799	1.6
445.29300	2.0
463.30704	7.0
607.35150	1.5
625.35950	100.0
626.36096	8.2
686.25531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75523	0.7
57.03452	1.8
59.01384	100.0
60.01725	0.7
61.98833	1.7
71.01385	24.1
73.02954	1.7
75.00883	0.9
83.05068	0.6
85.02954	7.0
85.60727	0.6
87.00888	1.3
87.94809	0.6
89.02450	33.7
95.01397	1.9
96.96034	0.8
101.02448	15.5
113.02457	12.8
119.03505	16.3
119.04323	0.9
123.08192	2.0
131.03539	2.0
135.04582	1.1
143.03494	4.7
149.04596	1.2
151.07664	4.2
155.10785	0.7
161.04613	4.0
169.01460	1.7
179.05624	13.5
213.14967	9.2
283.17035	1.2
301.18137	1.4
305.16092	0.8
319.19202	1.3
427.28653	1.5
445.29666	7.8
463.30826	1.5
485.45325	0.8
572.35504	0.8
607.34924	3.2
625.35938	48.5
626.36548	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	685.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
57.03446	2.9
58.00611	0.9
59.01383	89.6
61.98830	1.5
69.43092	2.5
71.01386	24.7
71.05016	3.2
73.02955	2.6
83.01393	1.7
83.05029	21.9
85.02955	5.0
87.00886	1.5
87.08157	1.0
89.02448	26.9
95.01402	2.3
96.96021	1.6
98.22701	0.6
100.20941	0.6
101.02451	16.7
112.60183	0.7
113.02452	10.4
114.81204	0.6
115.07648	2.3
119.03523	11.9
123.00896	0.9
123.08160	1.3
125.02445	2.6
131.03520	2.0
135.04594	0.7
141.09204	0.6
143.03558	1.9
145.01514	0.6
149.04619	0.9
151.03973	0.7
159.10281	16.4
160.10582	0.7
161.04584	2.3
169.01447	2.5
170.01787	0.6
179.05612	5.3
211.02417	0.8
271.04944	0.7
285.18542	1.5
301.00000	1.3
414.94717	0.6
445.29565	1.8
463.30341	1.1
465.25034	6.1
530.81714	0.8
533.20190	1.3
607.35510	1.5
625.35950	100.0
626.36322	11.0
639.33887	1.4
642.35834	1.7
654.23462	1.5
685.26074	1.9
685.38062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.3
61.98838	4.4
68.59232	0.5
69.18075	3.5
70.71252	0.5
71.01373	0.9
85.02990	0.7
87.00885	0.5
89.02462	0.7
89.66670	0.6
96.96006	1.8
97.06577	1.3
101.02427	0.7
111.04565	0.5
123.08162	1.5
125.02520	1.2
137.09686	0.6
149.06102	1.5
150.03246	1.1
150.06880	32.0
151.07321	0.8
161.04532	0.6
161.09793	0.9
162.06775	0.5
163.07643	7.4
164.08446	7.3
165.05530	1.8
169.01440	1.4
178.10007	2.0
179.05426	0.7
179.10793	18.0
181.05292	0.6
187.09729	0.6
195.06598	1.0
209.09676	0.6
229.10724	0.8
254.67928	0.6
292.20276	0.5
320.19986	1.5
321.20602	0.6
335.22134	1.1
341.23587	1.2
343.21317	4.2
364.22726	2.5
441.29761	1.2
459.31009	0.8
462.29959	1.9
477.32236	6.2
504.31290	0.7
505.31577	2.6
509.04037	0.7
522.31964	2.2
523.32800	27.0
524.33032	1.9
619.22357	1.0
675.11517	0.6
685.38123	100.0
686.38391	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	687.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87767	0.8
57.03444	1.4
58.00607	1.4
58.07376	0.8
58.24355	0.8
59.01385	100.0
60.01717	0.9
61.98839	26.6
66.98294	0.8
71.01391	48.7
72.99325	1.5
73.02952	1.4
75.00860	1.2
78.39899	0.7
83.01359	0.9
85.02963	5.9
85.07449	0.8
87.00908	1.3
89.02453	62.6
92.01342	0.8
95.01434	1.6
101.02454	9.9
101.52020	0.9
108.02158	1.1
113.02464	10.6
119.03531	7.4
120.01257	2.6
121.02949	5.4
122.03738	2.0
123.00877	1.6
123.04573	0.9
125.02435	2.5
129.63124	0.7
131.03531	9.8
134.42508	0.9
143.03526	1.5
145.02980	3.5
146.03728	0.8
147.04539	1.6
149.02507	4.7
149.04590	9.7
150.03236	10.1
151.04007	1.1
154.16321	0.8
160.05258	1.0
161.02455	2.9
161.04568	2.4
162.03252	25.2
164.04713	1.8
165.05595	9.2
166.06383	3.9
169.01466	2.4
170.10884	0.7
175.07590	0.9
177.05565	17.5
179.05615	5.4
180.04243	1.3
195.06641	6.8
219.06500	1.2
219.14177	0.8
224.14612	0.8
230.18088	0.7
269.08273	5.5
281.08078	1.2
281.69821	0.9
283.09799	3.2
292.07401	0.9
299.09250	2.9
299.99033	1.0
300.99817	2.8
310.08475	1.8
311.09305	7.8
314.11639	7.0
325.10751	4.4
326.11670	7.3
327.10980	1.5
329.13953	17.2
330.14377	1.0
337.10999	1.0
341.13950	15.0
342.14227	1.0
355.11844	1.2
409.05338	0.9
465.31808	1.6
474.17175	1.2
487.16135	1.9
489.19226	8.2
489.28992	1.1
507.19998	1.4
579.22205	1.2
587.74365	0.9
626.36285	1.0
627.37305	17.0
633.19080	0.9
639.24658	3.0
640.24945	1.1
669.18097	1.6
687.25574	1.4
687.35138	2.6
714.82953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25786	0.5
57.03441	1.0
59.01128	0.6
59.01387	7.0
68.99829	3.4
69.03460	1.0
69.16003	3.1
69.16410	1.3
71.01388	9.9
72.99307	1.7
73.02950	2.0
77.22411	0.6
80.02669	1.0
81.03455	1.4
83.01381	1.5
83.05034	6.9
84.02189	1.0
85.02959	2.4
87.00892	1.7
89.02439	2.5
95.01368	0.7
95.05035	1.1
97.02961	1.7
97.06606	1.4
97.11114	0.6
99.00872	0.7
101.02457	3.5
107.05035	0.9
109.06592	1.5
110.03743	2.0
111.00911	0.7
111.04539	5.4
111.08183	0.9
113.02467	2.8
119.03466	0.8
122.03741	0.9
123.04548	0.9
123.08161	1.1
125.06123	0.6
125.09747	3.3
127.11298	0.6
135.08163	1.3
137.09673	1.1
142.02901	0.7
147.11801	0.6
149.09695	0.8
151.11278	1.9
153.09309	1.7
153.17903	0.5
154.43611	0.6
161.04471	0.9
161.09735	4.1
163.11324	5.6
165.12860	2.5
171.10277	34.5
177.09161	3.2
179.10811	4.9
181.12399	1.1
185.11845	2.7
187.09746	1.2
195.10272	1.8
197.11845	7.7
198.12106	1.1
199.09723	0.9
201.11382	1.6
205.08690	10.2
207.10260	2.5
209.11844	100.0
210.12210	5.3
213.11354	3.2
223.09766	24.3
223.13055	3.0
224.10178	0.8
225.11342	2.9
227.12915	14.3
228.13249	0.8
235.08330	3.5
241.10858	2.5
253.09322	8.8
363.21930	0.9
397.20264	0.8
407.19171	1.4
415.21387	1.4
441.17886	0.9
445.20837	1.8
459.18732	4.1
477.19949	1.0
485.46762	0.7
633.29413	0.9
643.29987	1.3
651.30237	4.2
669.31171	6.3
687.32428	15.2
688.32666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01385	13.2
61.98841	4.8
69.03454	1.2
69.12257	3.0
69.12679	3.2
71.01389	10.8
71.05009	1.1
72.21743	0.9
73.02955	1.7
79.95745	1.0
80.02669	2.0
81.03456	2.2
83.01408	1.1
83.05020	7.1
84.02150	1.6
85.02943	2.6
86.46861	0.9
87.00883	1.9
89.02443	5.7
90.98604	4.0
95.05016	2.0
96.96009	7.4
97.02942	2.2
97.06616	1.9
98.22620	2.4
99.00857	1.7
101.02445	8.0
107.37640	0.9
109.02975	1.5
109.06590	4.9
111.00844	1.0
111.04539	1.3
113.02485	5.0
116.92850	1.1
119.03523	2.5
121.06622	1.3
123.08140	0.9
125.02461	2.0
125.09719	3.4
130.49350	1.2
134.82370	0.9
135.08180	1.2
136.11681	0.8
141.36186	0.9
145.05020	2.0
148.27028	0.9
151.11255	2.1
153.12895	1.3
161.04538	2.7
161.09747	1.7
162.03232	1.0
163.11287	6.5
165.12813	3.6
169.01463	1.7
169.11024	1.8
169.12370	29.6
171.10303	17.8
177.05585	1.2
179.05518	1.6
179.10756	3.0
181.12335	2.0
185.11934	1.5
195.10214	1.5
197.11856	47.9
199.09824	1.4
199.13400	1.5
201.11371	2.2
205.08714	3.0
205.45950	1.2
207.10278	11.5
209.11858	81.6
210.12102	1.9
213.11372	1.4
215.12881	0.9
221.11722	1.1
223.09753	7.4
223.13335	1.1
225.05913	3.2
225.11359	15.3
227.12909	15.0
235.08203	3.8
237.04317	2.6
241.10930	5.0
243.12225	2.2
253.09300	12.5
349.23569	0.9
415.21591	1.5
443.19113	1.3
459.18814	1.8
461.20123	2.9
477.20398	1.2
487.34128	1.3
489.36154	1.3
611.00085	1.4
615.29340	2.2
651.30127	4.0
659.32465	1.1
669.31653	6.5
687.32336	100.0
688.32690	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	687.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34943	0.4
55.01878	0.6
56.85569	0.6
57.03434	0.9
59.01387	5.6
69.03454	4.4
71.01394	4.9
71.05016	1.3
73.02948	0.8
73.99924	0.5
80.02689	0.7
81.03454	1.9
83.01386	1.1
83.05036	5.1
84.02170	0.9
85.02943	1.4
87.00843	0.9
89.02483	2.5
95.04998	1.0
97.02952	0.7
97.06596	1.3
98.39165	0.5
99.00926	0.5
101.02440	3.1
103.45966	0.5
104.95435	0.5
113.02458	2.1
119.03560	0.7
121.38920	0.6
123.08195	0.8
125.06039	0.6
125.09727	2.2
132.78697	0.6
135.08081	0.6
137.09746	0.6
138.34685	0.5
147.11786	0.6
151.11292	2.3
153.12840	1.1
161.04582	1.0
161.09756	4.1
161.72928	0.5
163.11284	4.4
165.12823	2.4
171.10286	1.0
179.10791	8.4
181.12416	0.8
188.65506	0.5
191.10767	1.0
197.11850	44.3
198.12210	1.3
207.10204	0.7
209.11844	64.6
210.12160	1.7
223.09779	1.4
225.11331	1.4
227.12936	5.3
241.10719	2.6
253.09253	2.7
459.18561	1.1
477.19736	2.1
487.34161	0.8
656.73029	0.6
669.30951	1.4
687.32367	100.0
688.32611	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	687.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64539	1.0
58.70761	1.0
59.01175	1.0
59.01388	10.4
61.98843	7.3
65.99860	1.0
68.99792	1.7
69.03464	1.4
71.01388	7.5
73.02941	1.3
81.03458	3.1
83.01341	2.6
83.05042	8.8
84.02154	2.0
85.02953	1.7
87.00845	1.3
89.02475	5.4
95.05039	1.7
97.06579	1.5
98.85347	1.0
101.02469	5.0
109.06577	2.3
110.03764	1.3
111.04514	2.7
111.47457	1.2
113.02446	2.3
119.03477	1.1
125.02427	2.6
125.06070	1.6
125.09744	2.7
135.04541	1.1
145.05098	1.1
151.07762	1.1
151.11278	1.4
161.04617	2.4
163.11258	6.5
165.12851	3.7
169.01399	2.6
169.12366	17.3
171.10277	15.3
177.09209	1.7
177.43210	1.0
179.10785	3.4
191.10881	1.0
195.10223	1.3
197.11835	38.0
198.12146	1.6
201.11281	1.5
205.08707	2.1
207.10228	3.8
209.11845	100.0
210.12236	2.2
213.11256	1.9
223.09790	9.3
225.11375	2.9
227.12907	12.2
235.08322	2.7
241.10764	1.9
253.09322	7.9
290.69348	1.1
294.76260	1.2
459.18756	1.3
477.19412	1.8
650.77435	1.1
651.29822	1.3
669.31628	3.4
687.32355	82.9
688.33112	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	687.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94164	0.8
57.03432	2.0
59.01385	5.9
61.98830	2.5
67.01914	0.9
71.01383	9.9
71.05058	1.1
73.02948	1.0
81.03457	1.1
83.05028	1.4
85.02954	2.4
89.02494	1.0
91.84715	0.7
93.07100	1.1
95.05018	2.1
96.56641	0.6
97.02952	11.3
97.06594	0.7
101.02458	3.1
103.01515	1.4
105.07087	6.6
107.05036	2.0
108.02162	0.8
108.05833	9.7
109.02953	4.8
109.06595	2.8
111.04529	11.5
111.08179	2.1
113.02462	1.1
113.06092	10.7
116.92871	1.6
119.08690	2.1
121.06597	2.8
122.03737	9.5
123.04578	0.9
123.08170	8.6
124.05275	1.5
125.02457	1.8
125.06090	23.0
125.07021	1.4
135.08183	2.1
136.05324	8.3
137.06091	6.5
137.09758	1.0
138.06876	17.5
139.07663	37.9
140.08018	1.1
141.10646	0.6
148.05293	5.0
149.06102	4.0
150.06856	2.8
151.07658	70.6
152.04813	9.4
152.08452	23.3
153.09221	22.3
159.11844	3.4
161.04593	1.4
161.09731	5.1
163.07663	11.9
164.08403	1.0
165.05582	1.7
167.07164	3.3
169.01392	1.6
175.11220	1.0
177.12808	0.8
179.10791	2.0
185.09795	1.4
186.10522	2.9
188.08429	1.2
189.09218	3.1
191.14439	0.7
196.18887	0.7
201.12862	21.7
202.13191	1.3
203.10762	9.9
204.11557	37.9
205.11847	1.1
219.13908	69.9
220.14244	3.1
263.12891	100.0
264.13361	5.9
291.18152	3.2
300.99982	0.8
345.22473	1.1
423.22427	15.1
424.22855	1.5
525.34338	2.4
687.40088	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	687.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47478	0.4
57.03458	1.3
59.01385	100.0
60.01722	1.7
61.01824	0.7
61.68296	0.5
61.98836	38.9
69.27851	1.3
69.28259	1.0
71.01387	24.4
71.05035	1.0
72.01736	1.0
72.99327	0.7
73.02969	1.5
83.01400	1.1
83.05030	7.6
83.05491	0.6
85.02949	4.0
87.00892	1.4
89.02455	26.9
90.02797	1.7
91.02869	0.5
95.01424	1.6
96.96024	1.9
98.22626	0.8
101.02454	12.9
102.02793	0.7
107.01427	0.5
109.02963	0.5
113.02456	11.0
114.02798	0.7
115.07666	1.0
115.75235	0.5
119.03510	11.2
120.03855	0.9
121.04008	0.5
123.00904	0.9
124.01683	1.0
125.02468	4.7
131.03526	1.8
143.03568	1.9
149.04605	1.3
159.10277	5.3
161.04547	3.2
169.01456	4.7
173.01143	0.5
179.05655	8.7
180.05925	0.5
311.22076	0.6
313.05725	2.9
313.10892	0.9
342.99673	0.5
447.31165	0.6
465.32254	2.0
467.26465	1.2
469.92111	0.6
507.18539	0.6
609.36932	2.0
627.37537	52.4
628.37787	4.3
639.17828	1.0
643.17310	0.7
687.18036	3.5
688.20520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29068	0.9
59.01386	100.0
61.98838	9.9
71.01389	24.9
82.91944	0.9
83.01397	1.2
85.02954	4.6
87.00877	1.0
89.02456	30.9
95.01392	2.9
99.00849	1.2
101.02458	12.9
107.29317	0.8
110.94966	0.9
113.02472	10.6
119.03509	10.1
121.02976	1.1
123.00908	1.1
125.02439	1.7
128.00479	0.8
131.03481	2.2
143.03519	3.0
146.03775	1.1
149.02444	0.9
149.04520	2.7
150.03218	3.5
157.41214	0.8
161.04622	8.9
162.03421	0.9
165.05560	1.7
179.05637	12.6
195.06657	1.4
300.99808	1.0
309.87759	0.8
310.27176	0.9
447.31122	0.9
465.32227	8.4
489.19214	5.1
588.51807	0.9
627.37494	38.4
628.37750	1.6
639.24713	1.6
687.18170	1.2
687.38489	1.3
713.16229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
83.96677	0.5
87.00885	12.1
87.01422	0.9
87.01655	0.7
89.92133	0.5
121.02953	0.8
122.03756	1.0
123.04542	55.9
124.04850	0.9
147.04590	0.9
149.06091	17.0
150.03209	1.8
151.04013	1.5
165.05591	11.9
169.01494	1.0
175.04022	0.8
193.05069	10.4
195.03018	15.1
206.46533	0.6
219.02963	1.1
237.04054	1.5
255.05124	100.0
256.05441	2.6
433.13571	5.3
436.76624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69479	1.0
55.23119	1.0
57.03445	1.9
59.01377	9.6
62.38017	0.9
62.94688	1.0
71.01390	2.2
71.40411	1.2
71.40778	1.3
72.99317	1.5
77.10139	0.9
83.01395	7.1
91.18536	1.0
99.00884	22.9
101.02438	5.1
117.01968	10.8
123.00915	1.8
125.02454	3.4
135.04510	7.5
145.01442	100.0
146.01814	1.9
161.02446	1.2
163.02521	2.9
169.01459	3.1
179.03525	5.8
187.02515	5.0
205.03546	74.6
206.03935	1.5
217.08746	1.5
251.49924	1.0
261.11322	1.2
275.02039	1.6
300.99902	4.5
307.04510	2.7
367.06870	2.2
367.11642	1.2
455.78510	1.1
555.90613	1.2
605.22040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89956	0.3
59.01387	2.8
59.80439	0.3
60.05879	0.3
66.47443	0.3
71.01377	1.2
71.22596	0.4
85.02985	0.5
89.02441	0.6
95.01399	0.7
98.21877	0.8
101.02461	0.4
107.01396	2.5
111.00891	1.3
113.02452	0.6
117.69899	0.3
121.02995	0.3
123.00888	2.1
124.01675	10.7
125.02470	18.8
133.07422	0.4
136.98853	0.9
137.02382	0.5
139.00371	1.4
139.04031	0.7
140.01201	1.8
141.01917	0.4
149.02495	0.5
151.00386	1.2
153.01894	0.4
165.01961	0.8
167.03528	1.0
168.00662	11.2
169.01445	26.9
170.01729	0.5
183.03003	0.5
211.02510	52.7
212.02824	1.3
220.53888	0.4
227.41795	0.3
253.03447	0.4
271.04630	100.0
272.04956	3.4
276.16537	0.4
285.06000	0.4
331.06741	31.4
332.07150	1.4
357.88510	0.3
689.20648	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	689.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73388	0.7
59.01389	20.8
61.98822	3.6
66.64536	0.8
69.03440	1.2
69.79266	3.0
70.92298	0.8
71.01390	10.1
72.99288	0.9
73.02931	1.2
81.03477	1.0
83.05081	0.8
85.02945	2.5
85.13892	0.8
87.00858	1.7
89.02463	7.0
95.01380	2.5
96.96027	0.9
97.02943	2.1
99.04516	1.9
101.02464	3.9
107.01391	8.6
111.00865	2.4
113.02446	3.2
119.03508	3.3
119.04987	0.9
123.00890	12.8
123.04555	1.0
124.01673	13.7
125.02463	41.9
126.02831	1.0
127.00347	1.0
131.60564	0.9
133.02946	1.1
135.04541	3.4
139.00386	4.1
140.01146	3.5
141.01926	2.4
149.02452	1.3
149.29391	0.9
150.03235	1.2
151.00375	7.1
151.04018	1.1
153.01933	1.7
153.09254	0.9
161.02441	1.9
161.04546	1.6
161.09671	1.2
161.13364	2.5
163.72928	0.9
165.05556	1.7
166.99783	1.4
168.00656	6.9
169.01447	47.7
170.01717	1.5
179.03436	2.8
179.05548	1.9
187.11258	6.0
195.06731	1.0
205.12421	5.1
211.02469	3.6
229.12318	2.0
247.13261	1.1
249.11360	5.6
271.04584	3.1
291.12479	1.3
295.04501	1.9
300.99805	1.5
313.05753	2.6
321.13409	1.1
329.13995	1.7
341.08948	0.9
341.13669	1.0
342.27890	0.9
351.14496	3.7
401.94952	1.0
411.16473	2.8
429.17563	2.9
490.19250	1.8
491.19928	1.4
509.20169	5.6
519.18750	6.4
531.20660	2.2
537.19720	9.2
591.22681	2.8
628.37549	1.9
629.38062	1.4
653.25037	1.2
689.20813	100.0
690.20941	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	689.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08024	0.6
59.01385	100.0
61.87040	0.6
70.36764	0.6
71.01389	5.7
73.02961	3.4
75.24048	0.7
83.01417	0.9
85.02977	2.9
87.00916	1.1
89.02475	2.4
90.99406	0.6
95.01379	0.9
96.96040	2.0
101.02454	5.0
113.02472	2.9
124.01728	0.8
125.02478	2.3
141.01791	2.2
161.04596	2.1
169.01451	2.7
179.05612	0.8
211.02657	0.7
249.04004	0.6
269.10278	4.8
269.28586	0.7
271.04691	1.8
275.02087	1.1
300.99854	1.7
311.11475	2.5
329.12207	1.9
339.07150	1.5
391.15494	0.7
576.45581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
61.98833	34.6
69.59249	1.2
71.01387	44.0
73.02954	2.7
78.95916	3.3
80.02676	1.6
81.03445	1.8
83.01379	2.1
83.05026	4.9
85.02953	2.3
87.00912	2.2
89.02492	2.6
95.05014	1.3
97.02972	1.5
97.06583	1.3
98.22688	3.3
99.00868	2.3
101.02449	5.1
109.06619	8.1
113.02441	2.3
119.03491	1.7
125.09702	2.8
127.11293	1.9
137.09758	1.9
155.10847	1.8
156.61543	1.3
163.11293	9.4
165.12898	1.7
165.52612	1.2
171.10281	32.9
176.58708	1.3
181.12346	4.6
185.11913	1.8
192.85677	1.3
197.11711	2.2
199.09802	2.5
201.11346	13.1
207.10271	25.4
208.10645	1.8
209.11850	100.0
210.12221	4.0
211.13348	1.5
223.13321	1.4
225.11342	27.4
227.12875	12.4
233.11891	1.3
235.08173	3.5
243.12402	1.9
251.12885	1.8
253.09276	9.4
461.20328	5.6
653.31824	7.3
671.33020	2.8
689.34100	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	689.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
61.98833	34.6
69.59249	1.2
71.01387	44.0
73.02954	2.7
78.95916	3.3
80.02676	1.6
81.03445	1.8
83.01379	2.1
83.05026	4.9
85.02953	2.3
87.00912	2.2
89.02492	2.6
95.05014	1.3
97.02972	1.5
97.06583	1.3
98.22688	3.3
99.00868	2.3
101.02449	5.1
109.06619	8.1
113.02441	2.3
119.03491	1.7
125.09702	2.8
127.11293	1.9
137.09758	1.9
155.10847	1.8
156.61543	1.3
163.11293	9.4
165.12898	1.7
165.52612	1.2
171.10281	32.9
176.58708	1.3
181.12346	4.6
185.11913	1.8
192.85677	1.3
197.11711	2.2
199.09802	2.5
201.11346	13.1
207.10271	25.4
208.10645	1.8
209.11850	100.0
210.12221	4.0
211.13348	1.5
223.13321	1.4
225.11342	27.4
227.12875	12.4
233.11891	1.3
235.08173	3.5
243.12402	1.9
251.12885	1.8
253.09276	9.4
461.20328	5.6
653.31824	7.3
671.33020	2.8
689.34100	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	689.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.7
59.01383	14.8
61.98833	7.5
68.45512	1.2
70.93560	1.6
71.01379	17.4
71.05010	1.5
78.95898	2.6
81.03444	2.1
83.05013	6.2
84.02156	1.9
85.02965	2.8
87.00879	1.9
89.02460	6.3
95.05008	1.7
97.02956	3.6
97.06606	2.8
99.00890	13.1
101.02452	8.6
104.66048	1.1
105.69865	1.1
109.06575	4.6
110.03736	2.3
113.02449	3.5
119.03491	1.5
125.02391	1.9
125.09737	6.0
127.11320	1.1
141.45042	1.2
143.03580	1.2
152.99553	1.2
161.04529	2.6
163.11307	12.3
165.12802	3.5
171.10292	14.1
181.12383	13.4
182.12636	1.6
183.13878	2.6
185.11853	1.2
191.10808	1.7
197.11848	6.4
199.13414	16.0
200.13692	1.3
201.11305	4.0
207.10258	32.7
209.11839	94.7
210.12199	5.4
211.13425	17.3
212.13782	1.3
225.11333	53.4
227.12875	15.6
235.08186	4.3
243.12392	11.8
245.11787	1.1
253.09296	7.1
291.19672	9.0
304.22845	1.2
335.35370	1.1
341.64420	1.3
397.13501	4.4
415.14413	2.0
461.20175	8.9
479.21219	2.5
535.44037	1.1
653.31714	5.2
671.32935	8.0
689.33875	100.0
690.34448	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	689.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29597	0.5
57.03434	0.9
58.31996	0.6
59.01390	9.8
61.98838	3.8
67.52315	0.6
69.03427	0.7
71.01387	51.9
71.05037	0.6
72.88612	0.6
73.02954	2.6
74.41883	0.6
77.41651	0.6
78.95918	0.8
80.02683	1.3
81.03464	1.7
83.01413	0.8
83.05031	6.9
84.02177	1.5
85.02959	3.5
87.00887	1.5
89.02460	2.6
95.05036	1.3
97.02962	2.1
97.06609	0.9
99.00894	1.6
101.02435	4.7
101.94668	0.7
102.88947	0.7
107.69059	0.6
109.06595	6.1
109.23476	0.7
110.03773	1.1
113.02424	2.1
119.03514	0.7
122.03802	0.7
125.06099	0.8
125.09730	2.7
127.11281	1.8
135.08163	1.9
139.07710	0.8
143.03503	0.8
145.05040	1.0
151.07596	0.7
161.04524	1.9
161.09711	0.9
163.11288	9.8
165.09261	0.9
165.12877	2.9
171.10281	33.3
179.05589	1.0
181.12355	4.0
183.10188	0.9
185.11874	2.9
189.09222	1.5
191.10741	1.3
197.11893	1.7
199.13431	1.4
201.11349	16.3
207.10294	19.9
208.10657	0.7
209.11850	100.0
210.12216	4.0
211.13405	0.8
215.12910	1.7
225.11340	32.4
226.11636	0.8
227.12920	13.2
233.11908	0.8
235.08308	3.7
243.12436	2.6
251.12964	1.7
253.09294	9.7
295.10406	0.9
399.21579	0.9
417.22870	0.9
443.19620	1.1
461.20331	5.8
479.21536	1.0
635.30469	1.1
653.31964	2.2
671.32513	4.2
689.22150	1.0
689.33734	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	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.9
58.69554	0.9
59.01389	9.1
61.98844	1.3
69.03467	2.3
71.01390	12.4
71.05017	1.4
72.69357	1.0
73.02950	2.6
80.02675	2.3
81.03456	2.1
83.01393	1.7
83.05032	7.2
84.02167	1.3
85.02996	1.3
87.00868	1.8
89.02458	4.3
95.05018	2.0
97.02966	2.7
97.06643	1.7
99.00871	2.9
101.02473	5.7
109.06641	4.7
113.02467	2.7
119.03479	1.7
121.06616	1.7
123.08171	1.3
123.32246	0.8
125.02448	0.9
125.09732	2.8
127.11295	1.2
135.08163	2.0
151.11252	2.0
161.04562	1.7
161.09734	2.1
163.11314	7.8
164.11581	1.4
165.12888	1.2
169.01439	2.1
171.10292	22.1
179.10793	3.8
180.11124	2.5
181.12389	4.6
185.11816	2.0
197.11847	20.1
198.12186	11.1
199.09752	1.3
199.12198	1.9
199.13582	1.5
201.11336	8.8
207.10294	18.5
209.11847	73.9
210.12184	18.2
211.12451	6.8
215.12836	1.7
225.11345	25.4
227.12909	12.8
228.13312	1.6
235.08270	3.1
235.22232	1.1
243.12392	4.5
251.12733	1.5
253.09312	8.4
255.35620	1.1
258.16904	1.0
349.13937	1.5
443.19485	1.1
445.20593	1.3
461.20026	3.9
479.20877	2.0
489.35913	2.4
512.94873	1.1
627.30249	1.5
635.31439	1.2
645.31885	2.4
653.32098	2.8
671.32751	4.1
689.33179	100.0
690.33319	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	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
58.00591	1.0
59.01382	7.5
70.47990	1.0
71.01389	44.5
71.05021	0.9
72.61774	0.4
73.02950	3.8
80.02692	1.7
81.03467	2.0
83.01375	1.1
83.05035	6.8
84.02176	0.8
84.15971	0.4
85.02957	3.3
87.00891	2.0
89.02454	2.8
89.84617	0.5
95.01386	0.6
95.05042	1.3
97.02946	1.6
97.06615	1.1
99.00880	1.2
101.02466	4.3
109.06622	4.2
110.03760	1.3
111.00880	0.7
111.08181	0.8
113.02456	2.3
115.04030	0.6
119.03473	0.6
125.06074	1.2
125.09756	2.5
127.11292	2.2
135.08214	1.2
139.07671	0.7
143.03490	1.1
145.05090	0.9
155.10829	1.0
161.04570	1.4
161.09698	0.6
163.11325	8.1
164.11725	0.7
165.09274	0.6
165.12846	2.3
171.10284	40.7
172.10583	1.1
179.10780	0.6
181.12396	3.0
185.11838	1.9
189.09265	1.3
191.10826	0.9
197.11852	1.8
199.13446	1.2
201.11331	17.5
202.11722	0.7
207.10275	15.0
209.11852	100.0
210.12141	3.7
215.12917	2.1
223.13481	0.7
225.11349	25.6
226.11746	1.5
227.12924	12.1
235.08221	3.2
243.12434	2.3
251.12915	2.0
253.06900	0.9
253.09309	10.3
295.10477	1.0
324.21054	0.6
399.21957	0.9
405.17523	0.5
417.22824	1.0
443.19235	1.3
453.25476	0.6
461.20380	4.5
476.79053	0.5
479.21356	1.0
578.57703	0.7
620.36743	0.6
635.31116	0.9
635.58807	0.6
653.32190	3.2
671.32849	3.7
689.33600	5.9
690.33942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	37.9
64.79150	26.1
78.95892	73.2
96.96927	23.3
217.14915	27.4
253.31592	25.2
255.23232	30.7
256.36914	25.1
272.27628	22.8
397.13565	100.0
415.14633	26.1
583.61957	22.7
689.35498	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83825	4.7
59.01381	22.6
61.98820	10.9
70.66671	7.1
70.66988	5.8
71.01383	13.9
73.98785	5.2
86.47536	5.8
87.00897	6.8
89.02465	19.9
101.02477	10.3
113.02468	6.2
117.73922	5.0
124.17364	5.4
139.71652	5.1
189.73293	6.1
191.22372	5.8
198.93266	5.1
235.08199	8.4
255.23335	58.5
321.18527	6.1
337.66544	5.6
351.85968	6.3
397.13559	100.0
411.50784	6.2
415.14453	33.9
607.28528	7.4
653.37952	11.2
655.07898	6.0
689.35284	57.4
690.35736	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	691.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.8
61.98832	5.7
66.76679	0.9
67.01896	2.1
69.03457	2.2
69.21800	6.2
69.96981	1.0
71.01386	2.4
74.90731	0.9
78.91915	1.0
79.01895	2.3
81.03442	2.6
82.00626	1.0
83.01370	2.2
88.30841	1.0
89.78006	0.9
90.28799	0.9
95.01400	7.6
96.95987	1.4
97.02964	2.4
101.02451	1.0
107.01394	20.7
111.00874	3.0
119.05035	1.1
121.02935	1.3
123.00893	26.1
124.01680	18.3
125.02458	88.9
126.02788	2.7
127.00335	1.1
136.98790	2.2
139.00400	4.7
140.01134	4.4
141.01936	3.7
142.43170	0.9
149.02371	2.1
150.03223	4.8
151.00356	6.1
151.03889	1.2
153.01923	1.9
154.03798	0.9
163.03969	1.5
165.05525	2.8
166.99875	4.7
168.00623	10.7
169.01442	87.2
175.03961	1.0
191.03539	1.4
193.05032	1.1
195.06596	2.5
209.11758	2.0
211.02310	2.4
234.65971	1.0
249.04128	1.7
295.04517	1.3
303.47455	1.0
351.10800	3.2
353.12250	2.8
369.11887	11.4
387.08267	1.7
387.12976	24.1
388.13257	1.7
403.21063	1.0
435.14291	1.4
447.14160	2.7
465.15442	1.2
521.13104	21.5
522.13342	1.5
539.14069	44.3
540.14410	2.8
691.15100	100.0
692.15430	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	691.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81644	0.8
57.03448	4.4
59.01384	8.3
61.45455	1.1
65.00314	2.1
69.22082	4.8
71.01389	8.5
72.99317	2.4
75.00880	11.3
83.01402	2.0
85.02953	10.0
86.12284	1.0
87.00893	3.1
89.02431	2.0
93.03479	1.3
95.01395	4.0
96.96019	1.2
98.22631	2.0
99.00903	5.1
103.00375	1.0
107.01405	3.6
109.02982	2.1
111.00918	1.4
113.02477	11.7
117.01968	1.9
121.02969	50.3
123.00938	1.5
124.01672	1.3
125.02466	18.4
137.02457	2.1
139.04008	1.8
147.00848	1.9
151.00389	8.0
152.01273	1.8
153.01985	5.4
165.01906	3.3
166.38675	1.1
167.03503	1.5
169.01436	3.8
171.83908	1.0
175.00381	9.3
175.02553	1.0
178.99899	7.8
191.03542	5.3
193.01433	53.5
194.01678	1.3
205.05034	1.3
215.03534	3.5
231.05022	2.9
243.09901	1.0
249.06174	33.6
253.97781	1.2
257.04507	2.4
275.02011	1.0
301.00186	1.8
301.03531	5.8
319.04636	7.4
371.09851	100.0
372.10190	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.6
61.98836	35.5
62.90869	0.8
64.39861	0.9
65.00359	0.7
67.01906	2.0
69.03464	2.2
69.61217	3.1
71.01389	5.1
71.05000	0.9
73.02956	2.4
78.01116	1.1
79.01893	2.7
81.03468	1.5
82.00614	1.3
82.95464	0.9
83.01404	1.2
83.05038	1.6
85.02962	2.7
87.00880	1.0
89.02458	2.9
93.03426	0.9
95.01403	7.7
96.96036	2.8
97.02969	4.3
101.02452	4.4
106.71720	0.9
107.01396	18.6
107.02055	1.4
111.00883	4.5
113.02470	2.7
123.00898	28.2
124.01688	18.3
125.02460	93.2
126.02820	2.5
127.00364	1.3
135.03014	1.2
135.04553	1.6
136.98854	2.5
139.00409	5.7
140.01181	5.8
141.01949	4.6
149.02480	1.0
150.03296	1.4
151.00391	5.0
151.03993	1.1
163.04024	2.3
163.11247	1.9
165.05582	2.1
166.99861	6.3
167.03473	0.8
168.00648	14.0
169.01440	100.0
170.01787	2.4
170.63571	0.9
175.03993	1.9
179.03510	1.7
191.03461	1.5
195.06773	1.0
201.11305	7.1
205.12413	0.9
209.11847	34.5
210.12224	1.5
211.02470	2.0
227.12907	6.1
243.68529	0.8
249.03996	4.5
253.09375	2.4
275.01950	1.5
279.10934	1.8
299.99152	1.1
300.99997	5.2
302.00381	1.6
313.05646	1.6
351.10840	2.8
353.12369	2.3
363.07492	0.9
369.11923	10.6
370.12192	1.2
387.12988	21.8
406.57544	0.9
445.21490	1.0
445.59576	0.8
511.21667	1.7
521.13129	23.1
521.20001	1.2
539.14124	49.8
539.20898	2.6
540.14502	2.7
690.21185	1.2
690.33612	2.2
691.14130	77.4
692.15094	8.8
701.93701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
59.77815	0.3
66.79093	0.3
67.01863	0.3
69.21503	1.5
71.01392	1.4
83.01402	0.3
86.00071	0.4
86.41808	0.3
87.00841	0.3
89.02461	0.7
96.56184	0.3
101.02469	0.5
107.01400	2.4
110.03170	0.3
111.00871	1.0
123.00852	1.5
124.01664	11.2
125.02457	17.6
136.98802	0.6
137.02492	0.5
139.00414	1.6
139.03979	0.6
140.01155	1.7
141.01900	0.3
149.02477	1.7
151.00394	1.0
165.01909	0.8
167.03500	1.3
168.00653	12.3
169.01437	23.9
170.01793	0.4
183.02942	0.8
193.01524	0.3
211.02486	58.0
212.02803	1.2
239.05594	0.4
241.03604	0.8
262.39706	0.3
271.04602	100.0
272.04922	2.4
297.61914	0.3
314.11502	0.4
331.06714	33.6
332.06992	0.8
420.16434	0.3
627.67566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2252
Annotation	Curcumin diglucoside
Peak:m/z	Relative Intensity
52.57858	1.0
58.46920	1.3
59.01380	4.5
61.98834	1.8
67.01881	2.4
68.99817	1.1
71.01391	3.7
72.99307	1.1
75.00858	1.2
77.84698	1.1
79.01914	2.4
83.01402	1.6
85.09071	1.1
87.00893	1.3
87.52128	1.2
95.01398	5.0
96.90388	1.1
97.02939	1.6
101.02428	2.3
107.01383	6.5
108.02210	3.4
110.00125	1.2
111.00904	5.9
121.03071	1.3
123.00906	34.8
123.04539	1.8
124.01683	34.9
125.02472	34.9
127.00394	2.8
136.98816	3.6
137.02502	2.2
138.03284	1.3
139.00404	9.4
139.03998	1.4
140.01190	9.2
141.01956	5.5
149.02448	3.2
150.03229	5.6
151.00371	7.5
151.03983	1.7
165.05550	5.1
166.06303	1.3
166.99911	6.6
168.00673	24.7
169.01454	46.6
177.04085	4.4
179.07077	1.5
180.04268	1.3
181.01401	1.7
181.51268	1.1
183.02997	5.3
211.02487	15.0
225.03998	1.9
270.03741	1.5
271.04626	9.1
285.06165	2.4
329.04916	3.3
329.13293	1.2
331.06766	4.3
351.09155	1.6
492.12729	2.4
494.14417	22.2
495.14725	5.6
509.16718	2.9
539.21722	1.4
549.16187	6.6
567.16663	1.5
643.20288	6.3
655.20154	3.4
673.21429	14.7
691.22510	100.0
692.23096	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	691.2249
Annotation	Curcumin diglucoside
Peak:m/z	Relative Intensity
59.01364	1.3
59.88660	0.4
67.01894	0.8
69.03454	0.8
69.08295	0.4
69.24073	2.5
70.11576	0.4
71.01369	2.0
71.24583	0.4
78.01105	0.9
79.01905	0.8
82.00639	0.5
84.09618	0.5
85.02956	0.5
87.00848	0.5
89.02459	0.8
95.01386	1.8
95.05111	0.4
97.02956	1.7
97.07896	0.5
101.02470	1.0
101.77430	0.5
107.01408	6.3
111.00850	1.5
113.02448	1.0
123.00902	11.9
124.01685	15.1
125.02459	33.6
126.02867	0.5
127.00368	0.6
132.53825	0.5
134.46588	0.5
136.98820	1.0
137.02504	0.9
138.06873	0.8
139.00380	2.0
140.01147	2.0
141.01930	1.7
151.00386	6.4
151.03943	0.5
153.01912	1.1
153.09207	1.6
163.04010	0.8
166.99809	0.5
168.00653	6.8
169.01442	43.1
170.01778	0.9
179.03500	0.6
181.05164	0.5
207.02991	1.2
209.04582	0.5
211.02473	2.4
225.15083	0.8
234.35941	0.5
237.04053	1.7
271.04614	0.8
289.75018	0.5
295.04724	1.2
313.05643	2.0
332.08978	1.0
511.16089	0.9
521.20337	8.0
522.20636	0.8
539.21417	12.4
540.21948	1.1
691.22467	100.0
692.22852	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	691.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
57.03444	4.6
59.01382	100.0
61.98838	29.4
71.01385	61.1
73.02979	2.6
74.99112	2.4
75.00887	6.7
80.91669	2.9
82.95439	4.5
83.01407	5.6
85.02975	10.9
87.00879	2.6
89.02441	38.9
95.01408	10.2
95.59761	3.2
96.96004	6.5
99.04529	55.3
101.02461	27.3
107.01387	13.7
107.05030	3.4
109.06615	2.9
111.00948	6.3
111.04578	2.7
113.02470	25.6
117.87389	3.4
119.02793	3.2
119.03489	16.5
123.00911	22.6
124.01643	23.1
125.02458	52.6
126.02805	3.3
131.03517	3.2
135.04547	5.8
139.00381	4.7
142.22388	2.7
143.03563	4.4
149.02525	3.0
150.03253	3.1
151.00404	10.9
159.11871	3.3
161.04709	5.1
161.13341	22.5
162.78363	2.6
163.04042	4.7
163.07744	3.1
166.99893	2.9
168.00688	8.7
169.01439	63.8
170.01854	3.4
175.11314	3.0
179.05621	8.7
185.13400	9.9
187.11293	50.2
201.12863	5.5
203.14415	10.2
205.12344	33.0
206.12857	3.2
209.11853	8.0
215.14323	3.0
219.13875	4.6
229.12340	39.1
247.13496	18.5
249.11287	9.3
262.33319	2.8
262.89221	3.1
275.01953	4.2
277.14380	3.0
279.10873	34.6
287.09329	8.6
291.12482	5.1
295.04193	2.5
297.11829	3.0
299.99167	4.2
300.99881	7.8
307.15375	4.5
313.05719	5.4
351.14517	4.0
369.11917	5.9
387.12949	14.4
390.14600	3.0
429.17349	4.0
450.81363	2.7
467.22845	37.0
493.19934	3.0
511.21924	72.1
512.21979	4.7
521.20605	4.0
539.14117	73.4
539.21417	12.8
540.14240	8.3
655.09296	6.3
691.28168	60.6
692.23096	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	691.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47376	4.1
59.17128	4.0
61.98820	7.9
70.72914	7.3
78.44556	4.1
80.91682	11.2
103.62151	4.3
120.04391	3.7
124.71833	3.4
170.47906	4.1
174.63348	4.6
201.72308	4.2
209.09830	5.7
209.11818	100.0
210.12155	5.0
211.13510	5.1
227.12865	15.6
253.09215	4.6
374.53143	5.0
395.34979	5.3
400.45999	4.5
691.31580	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	691.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01739	3.2
59.01376	17.4
61.98834	14.9
62.01420	3.0
70.83468	2.7
71.01379	19.9
75.00860	3.3
77.83724	2.8
87.00874	3.9
98.22630	6.7
101.02451	6.6
105.37003	3.6
125.02491	3.8
163.11295	3.8
169.01335	3.0
171.10286	13.0
172.10645	2.7
183.45190	3.0
185.11864	3.2
197.11867	4.7
201.11383	6.5
209.11852	100.0
210.12192	9.8
211.13612	6.4
225.11400	3.2
226.11531	3.3
227.12994	18.6
235.08133	4.0
253.09303	9.8
259.45544	2.9
293.21170	11.4
397.13544	5.5
415.14459	4.2
445.20737	4.0
512.76953	3.7
535.21722	3.0
571.30621	4.3
637.32330	6.5
691.31439	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	691.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04216	4.5
59.01379	6.0
61.98825	14.1
67.39087	3.5
78.95905	5.4
80.91687	10.7
100.34138	4.1
189.06953	4.2
207.10252	6.7
209.11836	100.0
210.12137	8.3
211.13393	14.2
225.11430	5.1
227.12920	7.6
253.09267	5.1
276.64349	4.8
343.35126	3.9
354.06448	4.4
445.20529	6.4
655.33069	5.5
691.31488	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	691.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60822	8.0
57.90087	8.0
61.98818	19.7
62.70906	8.0
66.17057	7.4
76.36896	8.1
89.78651	8.2
98.22701	18.5
109.06592	10.8
111.41512	7.6
124.04315	9.7
132.47144	8.8
207.10249	38.8
209.11789	9.2
211.13388	100.0
225.11261	24.2
240.64928	8.9
253.09282	11.2
319.46381	10.2
331.64648	8.5
343.98959	8.9
401.23206	17.1
637.32336	61.2
655.33374	46.8
691.31201	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	691.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	40.0
61.98838	67.8
70.50563	32.1
76.00181	30.8
87.14969	27.2
111.30286	31.5
122.54075	29.1
211.13420	68.8
225.11295	58.6
231.16122	30.9
239.56891	29.6
245.14201	32.0
637.32477	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	691.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.9
61.98819	10.7
71.01391	29.2
71.05032	2.6
71.43790	3.2
73.02948	3.4
75.00851	2.6
83.05045	3.1
85.02922	4.4
85.09579	3.1
87.00897	3.7
89.02446	12.7
97.02975	4.6
101.02448	21.0
109.06567	7.9
113.02445	8.6
119.03529	3.9
125.02451	6.8
125.09736	4.4
133.93312	2.9
135.04556	3.6
135.08212	3.0
143.03528	3.3
161.04552	6.6
163.11360	6.2
165.85605	2.5
169.01445	3.3
169.12297	9.3
171.10248	12.7
179.05580	5.1
181.92619	2.7
183.13850	5.5
185.11800	7.0
197.11797	7.9
201.11237	3.5
207.10269	21.4
209.11816	18.4
210.12010	4.4
211.13396	62.5
212.13512	3.0
225.11308	16.5
227.12872	3.8
235.08232	9.1
235.17061	11.8
253.09184	10.3
273.16983	3.5
275.01660	3.0
275.20114	15.2
290.55304	2.9
293.21213	31.3
294.21649	3.0
300.99707	3.0
332.98453	2.5
339.23187	3.2
383.22324	9.0
391.24872	3.4
397.13489	24.6
401.23367	22.9
415.14413	14.4
419.24240	7.8
427.42224	2.6
447.22449	7.6
461.19901	3.1
485.32339	5.6
486.33243	6.6
609.32300	5.6
619.31464	17.8
637.32294	100.0
638.33051	7.2
655.33398	35.7
659.32758	12.3
691.30908	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04442	1.1
57.03434	1.9
59.01380	13.0
61.98823	2.9
65.37195	1.0
65.52698	1.2
71.01382	15.0
73.02974	3.8
74.42305	1.1
78.95905	2.2
80.59675	1.1
81.03468	2.3
83.01396	1.9
83.05022	6.9
85.02949	2.3
86.51421	1.2
87.00868	1.3
89.02462	5.0
95.05011	1.4
97.06604	5.0
98.21854	3.6
99.00877	2.2
101.02473	5.2
109.06555	2.4
113.02473	4.0
119.03520	1.3
125.02441	1.2
125.09734	1.3
151.11298	15.2
152.99641	1.4
161.04590	2.0
163.11334	5.4
164.49323	1.3
165.12836	1.9
169.01500	2.2
169.12355	63.5
171.10248	6.0
171.53171	1.0
172.10675	1.3
176.69629	1.1
181.12289	1.3
195.10310	2.3
197.11876	3.8
199.09775	1.3
199.13437	1.6
201.11317	2.7
207.10283	3.8
209.11853	71.4
210.12099	6.1
211.13533	6.5
213.11382	8.0
225.11322	5.0
226.11565	1.2
227.12907	7.6
228.13210	1.8
235.08203	1.5
253.09370	4.5
449.20151	4.5
453.80765	1.3
459.62967	1.2
487.34418	11.6
543.10889	1.3
631.38464	26.8
637.32306	7.9
638.32062	1.5
641.31348	2.0
649.39838	4.3
655.33661	2.6
659.32867	100.0
660.33124	9.5
691.42242	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35305	0.2
52.98360	0.2
55.01878	0.6
57.03447	0.7
57.18135	0.2
58.26015	0.2
59.01384	21.1
61.98816	0.9
62.14712	0.2
63.39268	0.2
69.03448	0.8
71.01385	14.6
71.06593	0.4
72.99287	0.4
73.02955	2.2
74.56190	0.2
75.00885	0.6
81.03454	0.4
83.01393	1.3
83.05027	0.4
85.02948	2.8
87.00891	2.5
89.02451	11.1
91.04015	0.3
92.16913	0.3
95.01396	1.1
95.05022	0.2
97.02980	1.6
99.00864	0.7
101.02451	10.1
109.06602	0.4
111.04478	0.3
113.02469	4.5
113.03251	0.4
119.03504	3.2
125.02457	3.4
131.03516	0.9
133.05058	0.3
143.03488	1.9
149.04584	0.4
151.11313	0.2
161.04559	2.3
167.10779	0.4
169.01398	0.4
171.10298	1.4
179.05634	2.9
179.14412	0.6
183.10210	0.2
195.13911	7.1
195.15714	0.3
196.14685	1.6
197.11826	1.4
198.12138	0.8
205.12259	0.5
205.15991	0.4
207.10394	0.4
209.11896	3.0
210.12195	1.3
211.13557	1.3
221.06685	0.8
223.13406	5.4
224.13919	0.4
225.11279	0.3
225.14893	0.3
227.12959	0.7
228.13589	0.4
231.21184	0.4
235.08205	3.2
245.06503	0.3
253.09312	1.7
256.13278	1.2
263.07614	0.5
275.20212	4.3
287.07779	0.6
293.21246	100.0
294.21585	5.2
305.08786	1.1
323.09851	0.6
397.13522	22.3
398.13754	0.8
415.14575	25.4
416.15134	0.9
631.39337	0.4
654.28101	0.4
691.35614	0.8
692.36444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
59.01380	8.2
61.98835	2.5
67.83895	0.9
69.84267	4.1
71.01395	6.8
75.18860	1.0
81.03452	1.3
83.05029	3.7
85.02954	1.8
87.00875	1.8
89.02442	4.7
97.06597	3.3
101.02426	5.1
105.67512	1.1
113.02451	3.1
116.48457	1.1
143.76282	1.0
151.11284	14.0
161.04515	2.2
163.11276	1.5
165.12856	1.9
169.12354	76.2
170.12627	1.5
171.10269	2.4
195.10207	1.8
197.11844	1.8
207.10295	1.9
209.11841	45.6
211.13460	5.4
213.11345	12.0
225.11313	1.2
227.12897	5.3
235.08324	1.7
253.09271	3.1
362.45581	1.2
381.24789	1.1
401.23224	2.4
449.20279	6.4
637.32690	5.7
641.31360	3.1
655.33789	1.5
659.32916	100.0
660.33600	6.4
691.35760	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	691.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95611	0.4
59.01380	3.6
67.74480	0.4
71.01385	2.2
73.02924	0.5
77.41953	0.5
80.02694	0.7
80.37134	0.4
81.03491	0.7
83.01390	0.6
83.05025	3.9
85.02938	0.6
89.02464	1.7
95.05042	0.6
97.06613	0.5
98.21902	1.3
101.02436	1.6
111.04683	0.4
113.02451	1.6
119.03518	0.8
125.06159	0.6
125.09746	1.1
127.11319	1.5
127.14662	0.5
141.95551	0.4
150.03206	1.0
161.04578	1.3
163.11285	3.4
165.05569	0.7
165.12865	1.7
167.79298	0.4
171.10338	1.7
181.12428	0.6
201.11345	23.3
202.11737	0.7
209.11844	100.0
210.12161	6.0
227.12897	14.1
228.13187	1.0
235.08205	2.2
253.09297	7.5
301.00204	0.8
303.92044	0.5
375.21890	0.9
437.20062	1.1
445.20865	2.0
637.31866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00737	1.8
70.88919	2.9
72.82793	2.0
78.95910	46.8
80.02647	2.7
83.05034	4.3
96.96983	2.6
130.32942	1.6
133.02603	1.8
152.99612	58.4
163.11276	4.5
165.12788	2.1
171.00648	6.6
209.11847	84.2
210.12178	5.0
227.03226	2.8
227.12990	10.7
245.04343	2.4
253.21735	17.3
346.11984	1.9
363.12277	5.9
437.15857	7.1
455.16891	100.0
456.17267	5.8
580.74615	2.0
691.38312	80.3
692.38672	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62724	1.1
78.95908	38.8
80.02654	1.3
81.03452	1.9
83.05032	9.5
84.02194	1.8
88.74887	1.2
95.05008	1.8
96.96947	3.5
98.22610	3.5
100.95606	1.1
124.01266	1.2
152.99593	58.3
157.34695	1.1
163.11284	6.7
165.12810	4.4
171.00600	7.6
181.12366	1.3
185.27367	1.1
209.11836	99.2
210.12122	4.2
227.03175	4.0
227.12933	10.2
228.80614	1.3
245.04250	1.7
253.21715	25.0
255.67618	1.2
305.32831	1.3
363.12155	8.3
383.48059	1.2
437.15863	6.2
455.16895	100.0
456.17413	7.7
614.37793	1.3
691.38251	75.1
692.38525	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	691.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10973	0.6
62.35874	0.6
70.88889	0.9
78.95912	31.3
80.02685	1.6
81.03440	0.9
83.05035	6.9
84.02180	2.1
95.05048	1.3
96.97009	3.1
109.06602	0.7
110.72816	0.6
115.29316	0.6
123.95497	0.8
135.08159	0.7
152.99608	47.2
163.11307	5.8
165.12854	3.6
171.00664	6.5
181.12341	1.3
191.10753	1.4
209.11847	100.0
210.12178	3.8
225.11632	0.6
227.03236	4.3
227.12915	7.7
245.04424	2.3
253.21751	12.4
255.23233	2.0
262.81335	0.7
363.12265	4.7
437.15677	4.5
455.16934	54.0
456.17130	3.3
602.75226	0.8
691.38306	40.9
692.38776	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	692.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22267	1.3
59.01382	1.2
61.98830	2.0
63.42102	1.3
71.42704	1.9
74.42165	1.1
78.65896	1.1
82.86145	1.3
84.00923	4.1
143.45189	1.3
168.92662	1.1
174.40660	1.1
188.11086	1.4
204.05231	2.6
314.44696	1.2
327.21747	2.3
332.26566	1.2
487.34344	100.0
488.34592	10.1
624.39923	1.3
649.39490	1.9
692.39807	5.1
693.39496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.1
59.98328	1.4
61.98832	1.7
64.20774	1.6
71.01381	5.8
84.00935	4.5
171.10272	4.1
185.88011	1.5
204.05153	4.4
209.11855	7.2
210.12134	5.7
225.11261	1.9
320.89090	1.4
487.34332	100.0
488.34802	10.8
649.39630	3.8
692.40070	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	692.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.3
61.98830	13.7
71.01382	5.5
73.02926	2.4
85.02950	2.7
89.02464	4.1
95.53429	1.9
96.56995	1.6
96.96007	4.6
101.02444	6.2
103.77289	1.7
113.02475	3.8
116.92870	2.9
119.03523	2.8
123.00951	2.3
124.01640	3.5
125.02452	4.3
135.04518	2.6
149.02280	2.1
168.00717	2.0
169.01434	7.7
171.10310	3.9
174.14653	1.9
199.13416	3.0
199.22510	1.8
201.11301	11.6
207.10228	2.3
209.11850	19.1
210.12164	10.7
227.12820	5.1
228.12938	2.0
253.09299	3.3
254.09581	2.2
273.17017	6.0
275.02011	2.0
300.99957	2.6
302.52798	2.3
302.72946	1.8
359.12601	2.9
360.12863	1.9
427.50385	1.9
470.30051	5.9
485.32315	2.7
487.34363	100.0
488.34637	5.2
589.33356	2.3
638.32458	2.2
649.36633	3.6
670.91058	2.2
692.39117	4.3
693.22247	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	693.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04729	0.9
51.51139	1.0
51.52636	1.0
57.03445	1.0
59.01389	1.8
62.16403	0.8
69.90189	2.2
69.90553	2.0
72.99323	1.4
83.01411	0.9
96.96033	1.2
97.22868	1.0
98.26216	1.0
99.00887	19.4
101.02442	3.4
106.37318	1.3
113.63604	1.0
117.01956	8.0
135.04558	5.3
145.01440	60.3
161.02570	0.9
163.02496	100.0
164.02849	1.5
179.03494	3.8
198.46712	1.0
205.03522	6.7
275.01837	1.1
300.99857	2.5
325.05673	2.5
420.79678	1.0
453.77826	1.1
541.61487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83939	0.5
55.23820	0.5
58.17929	0.5
69.12768	2.9
72.99302	1.3
76.84394	0.5
87.00887	1.8
91.05543	1.8
93.03457	1.0
95.01404	0.6
96.44700	0.5
98.22602	1.4
106.04282	1.1
107.01491	0.6
107.05048	10.0
111.00908	0.8
113.41879	0.6
113.70012	0.5
117.03461	0.6
119.07962	0.6
121.02987	1.9
123.00906	2.6
124.01667	1.6
125.02465	4.9
131.05008	0.7
133.06607	5.7
135.04562	1.6
149.04884	0.9
149.06093	16.6
151.00317	0.6
151.02795	0.6
151.03979	0.7
163.03992	1.1
168.00618	1.3
169.01466	5.4
177.05594	18.2
179.03514	27.7
195.06647	2.2
221.04515	1.1
239.05632	100.0
240.05957	2.2
249.04097	1.0
275.02063	1.0
300.99893	2.5
313.05630	0.6
377.03101	0.6
429.58206	0.5
453.10501	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	693.168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83504	0.7
56.94274	0.8
69.30272	2.5
69.30669	1.7
87.00893	2.6
93.03458	1.1
106.04256	1.6
107.05030	11.3
121.02964	1.6
124.01696	1.6
125.02462	2.8
133.06616	5.0
135.04541	1.6
137.02495	0.9
146.37724	0.8
147.04466	1.0
149.06107	15.1
169.01448	3.1
177.05576	16.2
179.03528	26.2
182.42711	0.7
195.06654	3.3
239.05634	100.0
240.06009	2.1
244.26114	0.9
261.03833	1.4
272.54114	0.8
300.99893	1.4
453.10574	7.2
611.44086	1.2
649.23535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
63.23008	0.5
67.01907	0.9
69.03466	0.8
69.44405	1.9
69.44816	0.9
71.01380	2.0
78.01106	0.8
79.01891	0.9
81.03465	1.3
83.01412	0.6
85.02940	0.8
85.24013	0.5
89.02492	0.7
92.18032	0.5
95.01402	2.6
96.95969	0.5
97.02956	1.6
98.22569	0.7
100.57049	0.5
101.02464	0.9
106.00672	0.5
107.01398	8.6
109.02935	0.6
111.00920	2.7
113.02472	0.8
123.00905	11.9
124.01676	16.9
124.69058	0.4
125.02463	40.1
126.02805	0.9
127.00358	0.7
136.98840	1.1
137.02403	0.8
139.00365	2.5
140.01178	4.0
141.01944	2.0
151.00378	5.8
153.01974	0.9
155.10767	1.0
163.03929	0.8
166.99905	0.5
168.00668	7.1
169.01443	43.2
170.01773	0.8
175.06808	0.4
179.03534	0.7
181.01509	0.7
191.03401	0.7
211.02539	0.7
237.04054	0.6
253.03607	0.6
267.11429	0.5
295.04422	0.8
295.10779	1.0
313.05612	1.0
339.09998	0.6
373.00467	0.5
389.18274	0.5
422.89914	0.5
507.50150	0.5
523.14380	0.9
523.21802	7.4
541.23053	11.4
542.22675	1.1
593.42371	0.6
600.09467	0.5
643.23767	0.9
661.24866	0.7
675.25024	0.5
693.24036	100.0
694.24451	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	693.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86419	0.3
59.01387	2.6
67.01878	0.7
69.03452	0.4
70.25849	0.3
71.01384	1.9
71.41139	0.4
72.94485	0.4
73.02939	0.4
79.01897	0.7
83.01373	0.6
85.02953	0.9
87.00901	0.4
89.02448	0.6
95.01389	1.4
96.96017	0.6
97.02928	0.6
101.02446	1.3
107.01381	2.5
111.00887	1.1
113.02440	0.9
116.68740	0.3
122.99996	0.5
123.00900	10.5
124.01686	6.8
125.02468	12.2
136.98824	0.8
139.00374	1.5
140.01144	1.5
141.01968	1.6
151.00383	6.2
151.04071	0.4
153.01970	0.4
155.10754	0.9
165.01912	0.4
165.05618	0.4
168.00694	2.0
169.01448	14.8
170.01805	0.3
181.01335	0.4
181.05199	0.4
191.80772	0.3
209.11874	0.5
211.02510	2.5
212.02863	0.7
213.03070	0.4
232.23509	0.4
241.07158	0.4
256.07520	0.4
271.04623	3.3
271.09552	0.6
272.05072	1.8
273.05115	1.4
279.87543	0.3
300.99973	0.6
313.05649	1.4
331.06857	0.7
332.06982	0.8
397.13730	0.4
450.99551	0.4
487.30640	0.8
493.35580	0.4
541.22943	100.0
542.23303	10.0
693.23450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15721	1.2
59.01385	55.4
69.73979	4.0
71.01391	30.1
71.68551	1.2
72.99317	1.7
73.02956	5.5
83.01384	3.8
85.02949	9.9
87.00854	2.0
89.02455	18.1
93.07085	1.3
95.01402	3.0
95.04993	2.0
96.96011	3.9
97.02964	1.4
99.04532	3.2
101.02456	20.3
104.34983	1.6
107.01360	1.8
111.00903	2.0
113.02466	10.9
119.03478	6.6
119.05054	1.4
119.07158	2.3
123.00904	7.4
124.01730	6.7
125.02548	6.0
126.02885	1.4
134.03740	1.3
136.01628	1.5
139.00354	2.0
147.04309	1.1
150.03212	2.6
151.00369	1.3
151.04001	2.5
159.02948	1.4
161.04570	5.8
161.13374	17.5
163.86024	1.4
168.00624	5.1
169.01453	10.6
170.01788	2.2
171.08170	1.3
179.05511	1.7
183.02936	1.2
187.11299	35.6
205.12347	21.7
211.02467	2.4
229.12495	1.7
231.10315	4.7
241.05090	1.7
249.11346	4.0
270.09073	1.3
271.09814	3.2
281.12433	12.7
300.99982	2.4
411.16556	1.3
463.84512	1.4
469.24341	5.7
495.14420	4.1
496.15024	4.5
513.23456	100.0
514.23767	7.1
575.95850	1.5
645.20898	2.4
675.22125	2.9
693.21655	12.5
693.31976	30.9
694.29602	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	693.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83339	2.2
58.31322	2.5
59.01377	3.9
86.03889	2.4
98.22711	4.1
101.02428	3.0
106.51952	2.2
124.37109	2.6
183.13873	3.9
209.11859	59.5
210.12178	2.7
211.13399	100.0
227.12930	20.7
235.08195	7.5
253.09306	4.0
295.22751	2.9
351.02191	2.8
429.21472	3.6
447.22437	17.9
639.33472	4.9
693.32440	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	693.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67654	3.4
59.01385	100.0
59.20485	4.0
61.98835	14.2
65.57899	3.0
66.03484	3.7
69.11687	23.0
71.01395	25.8
73.02949	7.9
82.95469	4.1
83.01425	4.6
85.02962	14.8
87.00906	4.5
89.02460	13.7
95.01369	4.8
96.96028	5.9
101.02439	11.3
113.02467	17.6
116.92864	3.7
123.00912	5.4
125.02466	14.3
125.09763	4.2
137.94691	3.6
143.03468	3.5
163.11244	3.8
169.01399	20.1
169.12357	4.7
171.10307	4.9
182.01035	3.5
197.11905	4.8
201.11356	38.6
203.91104	3.5
209.11812	13.3
225.11299	6.3
253.09322	9.7
273.17075	33.6
300.99936	4.5
342.10617	4.2
440.20917	4.2
445.29333	4.9
488.34357	8.7
489.31439	5.4
571.32690	6.5
589.33887	40.8
590.33722	5.9
607.34979	13.2
633.36639	8.5
649.36176	9.5
651.37622	6.3
693.37665	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	693.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67654	3.4
59.01385	100.0
59.20485	4.0
61.98835	14.2
65.57899	3.0
66.03484	3.7
69.11687	23.0
71.01395	25.8
73.02949	7.9
82.95469	4.1
83.01425	4.6
85.02962	14.8
87.00906	4.5
89.02460	13.7
95.01369	4.8
96.96028	5.9
101.02439	11.3
113.02467	17.6
116.92864	3.7
123.00912	5.4
125.02466	14.3
125.09763	4.2
137.94691	3.6
143.03468	3.5
163.11244	3.8
169.01399	20.1
169.12357	4.7
171.10307	4.9
182.01035	3.5
197.11905	4.8
201.11356	38.6
203.91104	3.5
209.11812	13.3
225.11299	6.3
253.09322	9.7
273.17075	33.6
300.99936	4.5
342.10617	4.2
440.20917	4.2
445.29333	4.9
488.34357	8.7
489.31439	5.4
571.32690	6.5
589.33887	40.8
590.33722	5.9
607.34979	13.2
633.36639	8.5
649.36176	9.5
651.37622	6.3
693.37665	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	693.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33404	1.1
53.76940	1.0
70.65376	2.0
78.95911	18.0
83.05013	3.2
90.00044	1.1
96.96983	2.3
103.57947	1.2
106.31815	1.1
152.99603	29.1
163.11302	2.1
165.12799	1.6
171.00647	3.8
176.23625	1.1
209.11861	32.2
227.03426	1.2
227.12886	5.3
255.23302	100.0
256.23645	4.6
350.72427	1.1
358.81573	1.2
361.10358	1.1
363.12152	7.2
437.15802	5.0
455.16562	1.5
693.39886	82.8
694.39868	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	694.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85482	1.2
51.91669	1.1
56.92676	1.1
59.01365	1.7
59.24489	1.1
61.98837	16.9
62.27443	1.3
69.17075	2.4
69.17478	5.9
71.01372	1.3
82.95444	1.8
83.05046	2.5
107.01419	2.6
111.00870	2.3
116.92844	3.2
123.00889	3.3
124.01642	9.3
125.02456	16.3
139.00444	2.9
140.01155	2.3
149.13814	1.4
151.00345	2.0
154.99850	1.1
168.00575	2.2
169.01442	14.3
189.02222	1.2
190.72659	1.2
254.55093	1.4
452.00870	1.3
609.35022	1.8
631.31256	100.0
632.31329	9.7
694.46521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43306	1.7
55.10808	1.8
59.01386	11.6
60.21702	1.6
61.98845	9.3
71.01389	15.1
73.02941	1.9
81.03438	2.1
83.05051	1.9
87.00881	2.0
89.02469	3.4
97.02967	4.3
98.21815	4.2
101.02472	6.3
108.27586	1.7
109.06593	15.1
113.02451	4.0
125.02451	3.7
161.04675	2.9
163.11313	9.0
169.01456	2.8
169.12328	8.2
171.10275	6.2
181.12296	2.0
197.11844	100.0
198.12242	2.8
207.10286	47.2
209.11838	14.1
211.13408	5.3
225.11337	24.2
235.08255	5.4
235.48338	1.8
249.14909	4.4
253.09322	16.8
322.92313	2.1
359.22589	2.2
369.20685	3.2
387.21634	4.9
405.22778	2.1
433.20892	2.6
443.19278	3.4
461.20297	12.6
473.36746	1.9
552.22668	2.2
587.44305	2.8
623.30634	5.0
641.31586	11.2
642.32306	6.3
649.39703	2.2
695.33307	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98842	11.3
70.44092	1.1
71.01387	14.6
71.42780	1.6
73.02943	3.1
83.01407	1.6
85.02952	6.1
87.00893	1.9
89.02456	6.9
95.01392	2.6
101.02473	6.4
113.02461	12.1
119.03555	2.3
120.07588	1.1
121.52046	1.1
124.01575	1.2
125.02473	1.3
135.04541	21.7
143.03493	1.2
161.04596	2.4
166.95291	1.3
169.01468	2.3
171.10199	1.7
177.02020	1.6
179.03403	2.4
201.11685	1.5
209.11833	5.2
227.12573	1.2
371.24234	2.9
404.03928	1.1
412.20520	1.2
445.21027	1.1
487.34082	6.5
490.35745	1.3
591.35455	25.7
592.35602	3.0
593.37006	1.7
609.36768	7.4
629.54749	1.1
635.38196	6.2
651.37238	3.4
659.23596	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	695.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.9
60.80015	0.6
61.98821	0.9
69.03447	3.6
71.01390	2.7
73.02954	0.6
73.76505	0.6
80.02692	0.6
81.03506	0.7
83.05037	5.5
85.00426	1.2
89.02449	1.7
95.04996	0.9
98.22678	1.4
101.02442	2.7
113.02466	2.2
125.02441	0.6
135.08232	1.0
149.13385	1.0
161.04555	0.8
161.09616	0.7
163.11302	2.4
165.12865	2.1
171.10249	3.2
191.10797	1.0
193.12337	0.6
205.12282	1.0
205.16040	1.0
209.11842	100.0
210.12172	3.7
221.15459	1.7
223.13347	1.1
227.12918	11.9
231.13869	4.8
235.08264	2.1
249.14975	32.7
250.15276	1.8
253.09311	7.3
287.16440	1.0
301.00241	0.7
348.04883	0.6
445.20905	1.2
468.82755	0.5
476.31195	0.6
485.23883	1.6
659.34174	0.6
677.35876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05188	3.8
55.30550	4.1
59.01384	100.0
61.98836	11.0
71.01389	34.8
73.02959	16.0
82.95426	10.5
83.01398	6.3
85.02961	8.1
89.02459	10.8
95.01405	4.7
95.69492	3.8
96.42105	4.3
96.96030	7.7
99.48158	3.9
101.02462	10.6
113.02470	21.1
114.97921	3.8
116.92890	5.2
119.03493	4.1
122.89776	4.0
125.02453	7.5
129.64656	4.4
136.08090	4.0
169.01443	9.7
191.58076	3.9
225.44658	3.8
234.12556	4.9
303.19730	15.5
474.77197	4.2
591.35370	94.8
592.35693	12.3
609.36353	21.8
632.31653	6.1
635.38501	8.1
651.37708	25.9
652.38013	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	695.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
59.01384	100.0
60.77488	1.4
61.98830	4.2
69.03448	1.8
69.45568	2.2
69.45974	5.2
71.01390	32.8
73.02956	16.7
75.27038	1.3
82.41212	1.4
82.95427	2.7
83.01396	4.4
85.02968	13.9
87.00887	3.2
88.98798	2.5
89.02458	14.0
95.01401	5.6
96.36500	1.5
96.96030	2.0
98.21873	2.7
99.00837	1.8
101.02441	15.7
103.63046	1.3
109.28239	1.5
113.02465	24.6
113.38699	1.2
117.71966	1.4
119.03513	4.9
124.01701	1.8
125.02483	6.8
131.03476	1.5
135.04533	2.9
143.03491	3.1
143.10793	2.0
149.71013	1.3
161.02380	1.6
161.04556	5.7
164.10176	1.3
165.05580	2.0
169.01387	5.5
179.05513	2.4
209.11874	5.0
236.99811	1.6
247.17052	8.8
269.15497	3.1
285.18604	14.0
317.09488	3.5
341.10559	1.7
371.24387	2.8
429.30069	2.8
442.04968	1.5
447.31125	4.0
573.34155	5.2
591.35394	80.1
592.35895	11.7
609.36609	19.0
610.36450	3.5
635.37579	4.2
651.37622	8.2
652.38019	4.4
653.37183	2.4
695.25018	2.1
695.36743	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	695.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84254	0.6
55.01873	1.5
57.03455	4.6
59.01384	100.0
60.01715	1.4
61.98839	1.2
69.03460	1.1
69.25112	3.4
71.01386	28.4
73.02948	12.3
73.97937	0.6
75.86629	0.6
81.84444	0.6
82.75822	0.6
83.01382	4.4
85.02957	26.2
86.00076	0.8
87.00890	2.0
88.98842	0.5
89.02451	9.1
95.01392	5.1
95.79633	0.5
97.02967	0.7
97.06599	1.2
98.20872	0.5
98.22611	1.5
99.00893	1.9
101.02447	12.4
107.05043	2.3
110.87178	0.7
112.15375	0.5
112.42546	0.6
113.02455	23.1
119.03508	3.6
123.00948	0.7
124.01684	1.2
125.02465	2.9
125.06112	2.1
135.04486	0.8
143.03525	2.5
146.20096	0.6
149.06120	1.4
159.46948	0.6
161.04631	2.9
163.07617	0.8
169.01451	1.3
171.13983	1.6
179.03572	0.6
213.12849	0.7
231.13956	1.4
237.11264	0.8
245.15479	0.6
247.17004	3.5
249.12875	1.0
267.13925	1.4
273.15088	1.1
283.17084	2.5
285.15146	0.7
299.16537	0.8
301.18097	10.2
319.19199	7.7
437.30487	1.1
455.31863	2.8
473.32761	7.9
474.33353	0.7
491.33804	10.5
492.34219	0.9
533.35193	0.8
591.35516	4.8
592.35620	1.1
609.36566	1.1
617.36987	12.0
618.36896	1.2
635.38037	99.5
636.38263	13.7
651.37366	1.2
652.36902	0.6
653.39130	24.6
653.50262	1.2
654.39435	2.5
695.25110	0.9
695.40039	4.8
696.41785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.5
61.98832	38.7
63.11785	1.1
69.03463	1.4
71.01373	2.3
71.05010	1.4
74.34931	1.0
85.00452	2.1
86.65360	1.2
89.02453	3.2
90.20135	1.2
95.32522	1.1
98.22637	2.4
101.02426	3.7
123.87337	1.1
167.10823	1.8
171.10272	6.3
179.14407	3.5
180.92520	1.3
183.13942	4.7
193.12370	1.7
195.13943	6.4
205.12383	6.8
207.10255	1.7
209.11884	3.6
211.13408	100.0
212.13766	3.4
223.13402	78.6
224.13776	2.4
235.08206	3.7
253.09399	8.6
289.17987	1.4
307.19046	1.5
417.26331	1.3
441.21143	3.3
447.22305	8.8
459.22333	14.5
476.70288	1.2
635.34015	2.8
653.34814	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	696.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85076	0.4
59.01390	2.4
59.01629	0.4
61.42694	0.4
61.98834	100.0
65.34438	0.4
70.98460	0.5
70.98806	0.4
71.01393	0.6
101.02435	0.5
103.01528	0.8
108.51678	0.5
117.93668	0.4
120.92833	0.4
129.07442	0.5
152.92749	0.4
171.10310	3.2
195.13939	0.5
205.12367	0.7
209.12001	0.6
211.13411	9.6
212.13776	0.6
223.13414	7.4
223.15524	0.5
231.15065	0.4
253.09352	0.9
289.18195	0.6
307.19272	0.6
327.87689	0.5
417.71103	0.4
447.22586	0.7
459.22629	1.5
603.48767	0.5
699.17694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00201	0.3
54.38679	0.3
59.01394	1.6
61.98833	100.0
70.50004	0.4
70.50339	0.5
78.95913	0.4
103.01482	0.8
145.02950	0.7
209.12000	0.3
221.52736	0.3
223.13510	0.5
288.87811	0.3
300.06473	0.3
324.95538	0.3
398.10107	0.3
633.38556	0.4
641.24738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
61.51328	0.3
61.98835	100.0
66.14912	0.3
67.64440	0.3
69.20822	1.2
74.11404	0.3
81.13238	0.3
85.00443	0.3
88.27601	0.3
94.21127	0.3
96.85757	0.3
103.01549	0.4
103.58414	0.3
104.62688	0.3
120.92918	0.3
121.02940	0.4
152.99731	0.3
162.23952	0.3
331.12558	0.3
334.82510	0.3
338.26132	0.3
413.23615	0.3
462.57944	0.4
509.09912	0.4
606.37762	0.3
607.83997	0.3
611.31256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03793	0.3
51.41595	0.3
53.00854	0.3
59.01375	1.6
61.98834	100.0
62.07381	0.3
70.21294	0.3
103.01532	0.6
122.63194	0.3
125.85014	0.3
267.76746	0.4
270.97745	0.3
315.76169	0.3
337.79230	0.3
457.79843	0.3
513.32239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	1.5
59.01383	43.5
61.98839	24.2
69.03477	1.9
71.01391	23.1
73.02953	4.0
83.01385	3.2
85.02966	6.9
87.00894	6.7
88.13406	1.7
89.02455	25.4
95.01396	2.3
97.02974	6.1
99.00887	1.7
101.02451	23.2
113.02454	10.3
119.03510	8.1
125.02480	11.4
131.03481	2.6
143.03569	2.4
161.04572	6.5
169.93665	1.7
179.05647	3.8
192.79588	1.6
196.35397	1.7
201.11444	7.9
229.15460	1.6
235.08231	8.6
253.09309	2.9
255.23325	70.0
256.23584	4.6
268.56540	1.4
277.21695	6.9
287.07712	2.6
305.08795	4.1
323.10025	1.8
397.13541	100.0
398.13855	5.7
415.14615	28.9
653.37115	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	696.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94114	3.2
59.01383	43.2
61.34248	3.1
61.98839	36.3
64.85886	3.6
68.49718	3.8
71.01379	18.8
73.02953	3.9
79.92928	3.7
85.02953	8.1
87.00894	6.3
89.02452	24.9
97.03030	4.4
101.02434	21.3
113.02443	6.9
119.03527	9.2
125.02467	10.6
143.03505	7.8
161.04625	6.2
185.11833	3.5
220.35506	3.5
228.82840	3.6
235.08345	8.5
255.23326	67.2
305.08972	3.8
318.40421	4.1
391.95071	3.8
397.13538	100.0
398.13852	4.2
415.14560	30.1
438.71295	4.0
535.47321	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	697.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02864	1.1
57.03432	2.5
58.40804	1.1
59.01111	1.5
59.01384	11.4
59.14449	1.2
60.79897	1.1
61.98830	19.4
63.02396	13.8
65.00330	10.8
69.62148	4.8
71.01394	3.0
75.59083	1.1
82.95462	1.2
83.01400	10.0
85.00436	1.4
85.02942	2.3
89.02444	2.0
93.03465	1.4
95.01394	1.3
101.02439	1.6
107.01395	23.0
107.04991	1.4
109.02962	5.1
113.02451	1.7
119.05061	1.2
123.04501	2.4
125.02456	21.3
137.02438	2.2
143.36839	1.2
145.03009	1.5
151.00380	56.5
151.04031	2.2
152.01105	2.3
153.01950	5.4
159.04526	1.5
161.02446	4.1
163.00374	2.4
165.01941	5.6
167.03535	5.2
169.01418	10.9
173.02422	1.4
173.06117	1.5
175.03947	3.3
177.01936	3.8
178.99875	100.0
180.00252	1.4
181.01431	4.6
187.04002	1.4
193.01419	3.9
195.02991	7.0
199.03995	3.0
201.01839	1.9
203.03542	2.9
213.01950	1.3
215.03529	2.3
217.05167	2.4
219.03041	1.6
227.03458	3.0
229.01425	3.6
229.20370	1.3
229.47086	1.2
243.02992	5.2
255.03067	1.8
261.04025	1.5
269.00925	1.5
269.04504	1.9
271.02551	4.3
277.03564	1.6
283.02863	1.6
287.02008	1.4
289.03510	3.6
313.03400	3.2
331.04694	4.1
347.04221	5.5
363.04819	1.4
457.07620	1.3
467.06821	2.0
477.04758	2.3
497.05377	1.6
507.05328	2.0
571.06580	1.6
585.06714	1.8
593.36896	1.6
603.07690	1.4
647.06024	2.1
679.09247	5.0
697.10529	23.1
698.11230	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	697.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79862	2.3
59.01382	27.4
69.09151	18.3
71.01390	29.6
72.99324	3.7
73.02949	4.0
75.27911	2.3
76.30204	2.5
79.15510	2.7
87.00874	4.6
89.02450	4.7
96.96021	5.0
115.00385	42.8
117.03417	3.0
118.96648	4.0
121.02982	3.6
123.00893	3.7
123.04492	2.8
131.28003	2.9
132.98175	3.3
133.01451	100.0
134.03754	86.5
145.01358	3.5
149.02467	10.4
149.06087	4.0
151.00380	2.6
156.98134	3.7
160.97801	2.9
163.03970	3.1
165.05560	3.1
169.01498	7.5
180.28973	2.4
193.05081	97.6
194.05673	2.5
217.00279	19.8
240.12611	2.7
250.30693	3.1
300.99915	3.8
309.06271	9.3
309.13800	2.7
314.11548	5.9
321.95441	2.7
368.05722	5.8
387.13055	8.7
391.21417	3.2
427.10843	8.8
487.12885	7.9
573.69189	2.5
697.26984	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	697.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
58.19465	1.4
59.01385	100.0
61.98810	1.7
69.15018	3.2
69.15425	7.1
71.01390	26.5
73.02955	8.0
83.01393	3.0
85.02950	13.4
87.00881	2.2
88.98822	3.3
89.02451	11.0
92.96046	1.5
95.01395	3.5
96.95995	2.1
99.00885	2.2
101.02444	11.6
113.02460	16.6
119.03522	3.5
125.02436	5.0
129.02005	2.1
135.04523	2.8
143.10786	4.5
143.88748	1.4
161.04564	5.2
169.01450	3.3
209.28107	1.3
239.70988	1.5
287.15219	2.3
373.25845	1.8
453.86780	1.7
575.35736	2.6
593.36963	54.7
594.37488	6.5
611.37958	38.6
612.38074	3.8
653.39185	18.9
654.39648	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	697.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01384	100.0
60.01715	0.9
61.98835	18.9
62.90915	0.5
64.80122	0.5
68.89879	0.5
69.03471	0.8
71.01389	14.6
71.36900	0.6
71.41511	0.8
73.02951	3.9
78.95926	0.6
83.01397	1.9
85.02953	9.0
87.00924	1.8
88.49265	0.7
88.98833	1.3
89.02460	6.6
95.01409	2.1
95.09605	0.5
96.96030	1.3
97.02995	0.9
99.00900	1.1
101.02435	6.1
113.02454	9.4
119.03541	1.9
124.01720	0.7
125.02464	0.9
130.21095	0.5
134.03813	0.8
135.03485	1.1
135.04535	21.3
136.04898	0.7
143.03534	1.0
143.10823	2.1
157.90240	0.6
159.03015	1.0
161.04597	2.3
169.01534	0.7
177.02010	2.0
179.03546	2.4
209.11919	1.0
253.85612	0.6
296.93674	0.9
302.22079	0.6
373.26022	1.2
439.93381	0.6
449.33020	2.5
517.16949	0.7
517.24683	0.7
535.25616	1.0
576.62054	0.8
583.52490	0.7
593.36987	29.4
594.37531	5.1
611.38080	25.1
612.38232	3.6
637.39270	1.8
653.39148	15.4
654.39307	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	698.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.6
61.98848	4.1
64.46574	1.9
65.21189	2.0
69.19475	6.1
69.19879	6.8
71.01382	5.6
80.02690	2.4
83.05024	2.3
87.00893	3.0
89.02474	5.2
97.02962	6.2
97.14787	2.6
98.76488	2.3
101.02439	8.2
109.06589	38.2
113.02456	4.6
135.08150	6.5
137.10645	2.4
155.59627	2.1
161.04532	3.5
163.11299	18.7
171.10278	10.2
172.10580	3.1
181.12323	5.7
183.13882	4.3
185.11845	4.9
207.08298	4.3
207.10266	89.6
208.10582	3.5
209.11784	9.2
211.13394	100.0
212.13687	3.0
214.24150	2.2
223.13448	2.7
225.11339	43.8
235.08215	5.9
253.09326	18.5
291.20197	2.2
329.24719	2.6
339.23224	2.8
354.89160	2.3
373.23795	6.2
383.22211	7.4
391.24857	5.5
401.23346	15.5
419.24298	6.1
443.19290	7.2
444.19632	2.5
447.22818	2.7
461.20340	17.5
609.32806	8.9
619.31116	3.3
637.32288	41.9
638.32800	5.0
655.33350	44.6
656.33606	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	698.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67419	1.5
59.01374	6.6
59.70058	1.5
70.75487	3.2
87.00876	4.1
88.98824	4.7
89.02422	2.9
101.02454	2.7
109.06601	4.3
113.02448	2.3
163.11375	4.1
163.25551	1.7
171.10321	9.8
183.13928	1.9
207.10307	11.2
209.11841	100.0
210.12157	5.2
211.13400	20.1
225.11339	7.4
227.12859	8.8
235.08089	2.0
253.09300	8.0
279.81213	1.8
291.19638	2.1
339.70648	1.8
401.23386	2.2
503.01270	1.6
598.19379	1.8
637.32159	6.3
655.33392	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	699.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36760	0.5
59.01382	4.7
59.42268	0.4
61.18319	0.5
61.98837	9.3
62.95865	0.5
70.05176	0.5
71.01354	0.4
71.16539	0.4
71.59820	0.4
72.05555	0.5
79.57485	0.6
84.94521	0.5
98.21788	1.0
99.92597	13.2
116.92873	100.0
117.92903	3.0
162.03329	0.7
162.84004	0.5
169.01498	0.7
177.05545	0.8
473.38284	0.6
595.38367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
59.01379	0.8
67.40558	0.4
71.01388	12.1
71.29421	0.4
72.99317	2.2
73.02950	0.5
76.81290	0.4
85.02962	0.5
88.04814	0.4
88.46568	0.4
89.02454	1.7
95.01411	0.4
96.96022	1.1
101.02446	0.7
101.13405	0.4
107.01411	0.8
107.04998	0.6
111.00893	0.5
112.41786	0.4
113.02448	0.6
115.00385	28.8
121.31469	0.4
123.00897	4.4
124.01688	1.7
125.02475	2.9
127.92471	0.4
133.01445	100.0
134.01817	1.1
134.03770	1.5
135.04536	22.8
138.15739	0.4
140.01253	0.5
151.00377	2.7
168.00658	1.0
169.01445	4.9
179.03511	24.0
180.03879	0.6
212.44070	0.4
232.35577	0.4
295.04630	4.5
300.99789	0.6
313.05597	0.5
314.14099	0.4
321.36053	0.5
338.02020	0.4
402.11734	0.5
403.12473	34.7
404.12793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	54.7
63.36104	0.6
63.71377	0.7
71.01384	2.2
71.05013	3.1
71.42881	0.8
74.74797	0.5
79.31813	0.6
80.06349	0.6
81.41863	0.6
99.04540	9.1
99.08166	2.4
101.02480	1.0
103.00383	6.1
107.01399	2.4
111.00900	0.7
113.02433	0.7
115.00355	0.7
115.04021	2.8
115.07655	0.8
117.05590	7.7
119.05022	0.9
123.00896	4.5
124.01667	2.8
125.02462	14.3
133.01425	2.4
135.04541	1.0
137.06099	7.7
139.00299	0.9
140.01173	0.7
143.07155	3.6
145.01447	1.1
151.00406	3.4
161.08206	100.0
162.08511	1.0
163.02493	1.6
163.04037	1.2
168.00679	1.5
169.01437	21.3
179.03491	1.1
185.02283	0.8
203.09282	21.3
231.03064	0.7
232.62086	0.6
241.37906	0.6
247.08170	0.8
275.01999	2.0
300.99796	3.4
313.05670	6.7
368.34229	0.7
451.12500	44.8
452.12933	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	699.2452
Annotation	CHEBI:70666
Peak:m/z	Relative Intensity
61.80066	0.3
93.03468	1.5
100.68572	0.4
105.03492	0.8
108.02159	0.8
117.03481	23.9
118.04352	0.8
119.05042	100.0
120.05366	1.7
121.02961	2.4
122.03761	0.4
123.04531	1.7
132.02190	2.5
132.05832	0.4
133.02983	6.2
133.06618	0.6
134.03777	6.9
135.04549	9.7
136.01677	1.4
137.02487	0.8
145.02975	50.7
146.03377	0.6
147.04553	1.0
148.05354	3.7
149.06105	1.6
150.03226	1.2
151.04091	0.7
160.01685	8.2
161.02460	4.4
161.06102	1.2
162.03255	4.9
163.04034	46.3
164.04315	1.1
165.05664	0.4
166.06348	0.4
175.04033	21.1
176.04314	0.5
177.01912	0.5
177.05588	3.5
178.02750	0.9
179.03519	7.7
191.03554	0.4
193.05046	3.5
212.65503	0.4
254.10010	0.4
265.39261	0.3
323.09244	2.0
341.10522	1.9
342.11069	9.1
343.11844	2.6
356.12643	1.2
357.13480	9.8
368.12711	0.8
383.14523	0.4
397.12936	5.4
411.14612	0.6
491.17056	1.2
503.17172	13.3
503.24625	0.7
504.17459	0.6
505.18701	2.7
513.51746	0.4
517.18805	1.2
523.19812	4.2
535.19427	0.6
553.20941	2.7
681.23346	0.8
699.24487	31.7
700.24811	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	699.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32214	0.5
59.01385	17.1
61.98844	2.1
65.52646	0.4
68.46028	0.4
71.01389	4.8
71.41346	0.5
73.02959	1.1
83.01363	0.5
85.02971	1.5
88.46117	0.4
88.98822	1.3
89.02461	6.2
95.01402	0.5
96.96002	0.6
101.02448	3.6
108.02200	3.8
109.02960	1.0
113.02497	2.2
116.92756	0.4
117.34396	0.4
119.03513	2.0
119.04969	0.5
121.03005	1.4
123.00918	0.6
123.04528	2.2
125.02496	1.0
136.29163	0.4
143.03508	0.5
145.02992	0.7
146.03793	0.5
149.02444	1.1
149.06093	0.5
150.03229	1.2
159.04553	1.2
164.04858	1.0
167.07176	1.0
169.01407	0.8
169.19893	0.5
171.57431	0.4
179.05652	1.1
196.45219	0.4
233.06197	0.5
234.90128	0.5
240.04366	0.8
249.05528	0.5
251.07225	0.6
261.05518	0.6
263.07101	0.4
264.04361	0.9
265.05060	0.8
266.05786	1.1
268.11023	0.7
269.11646	0.7
277.05011	2.1
278.05780	0.9
279.06647	1.3
280.07300	0.8
282.09055	1.1
289.05035	1.5
290.05780	0.7
293.08142	0.7
294.09039	0.8
295.09961	0.7
296.10617	3.1
297.11322	3.9
300.99841	0.6
307.09747	0.9
308.10538	1.0
309.07813	0.7
309.11304	1.4
310.08456	1.8
310.11685	0.8
311.12930	0.7
323.09335	1.5
323.12961	0.7
324.10059	7.4
324.13519	0.9
325.10825	22.7
326.11139	1.4
335.09302	1.0
336.10104	0.6
337.10797	1.1
338.11652	1.4
339.12384	14.2
340.13153	13.2
341.13501	1.1
351.12357	0.7
352.13065	0.8
353.10529	1.4
355.15540	1.0
365.10217	0.9
366.10938	0.6
367.11874	0.8
368.12668	6.6
369.13165	0.6
372.12256	1.3
380.12399	0.7
381.13541	1.0
383.15024	21.5
384.15256	1.6
386.14005	0.7
395.14993	1.3
427.11716	0.8
428.12665	1.3
431.14905	0.9
438.10748	0.5
441.13449	1.0
443.15338	1.2
444.12253	1.4
454.13443	0.5
456.12152	0.8
459.14474	5.3
460.14886	0.6
461.15945	1.6
471.14624	5.0
472.15448	0.5
474.16879	4.2
475.17551	1.5
476.18463	2.2
477.19400	0.6
486.16870	2.9
489.19266	15.5
490.19434	1.7
491.20990	2.2
501.19296	9.6
501.31937	1.5
502.19232	1.0
519.20282	100.0
520.20685	10.6
595.38049	0.8
613.39838	0.6
621.35730	0.5
636.20563	0.7
639.37762	2.4
681.25293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.3
59.01385	27.9
61.98837	12.7
70.51999	2.5
71.01389	29.3
72.10008	1.5
73.02958	14.4
80.91690	2.1
83.01395	3.1
85.02954	18.5
87.00877	3.0
89.02439	4.3
95.01404	4.4
96.96037	1.7
99.00910	2.7
101.02451	23.8
113.02454	12.2
117.21293	1.7
123.00861	2.1
125.02483	3.1
125.09716	2.0
127.88391	1.7
142.35550	1.7
143.03491	2.5
159.03087	2.0
160.97231	1.5
161.04558	9.7
169.01453	3.7
170.88828	1.6
171.10255	4.3
177.53508	1.4
191.46005	1.4
198.82671	1.5
209.11882	11.5
213.51326	1.4
217.01405	1.8
227.12946	3.3
235.13432	2.3
258.02994	1.7
272.14423	1.5
288.40512	1.7
412.23438	1.7
493.31763	7.5
566.97278	1.6
639.37561	100.0
640.37823	12.3
654.17456	1.8
669.88416	1.7
686.24109	1.8
722.02075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.4
59.01386	60.7
59.26892	1.3
60.99318	4.3
61.98839	6.0
68.89001	1.0
69.32523	5.1
71.01389	30.3
72.99312	1.5
73.02952	4.6
83.01395	2.1
85.02952	13.5
87.00881	4.6
88.98810	21.5
89.02450	28.3
92.37754	1.4
95.01404	3.2
96.96024	4.3
97.06622	2.4
98.22765	1.5
99.00896	1.7
101.02460	20.8
107.01412	2.1
109.02966	5.3
113.02463	11.0
119.03522	9.0
119.30352	1.4
123.00920	2.0
125.02480	8.6
131.03525	1.3
132.02191	1.3
133.02951	2.2
135.04527	1.4
136.01595	1.7
143.03455	1.8
149.04585	1.4
150.03249	2.7
161.02460	3.2
161.04587	4.3
163.07646	6.0
169.01421	9.2
179.05626	4.2
195.06567	1.2
211.02478	1.6
223.13791	1.3
236.24625	1.1
275.02036	1.8
285.14948	2.2
299.16327	1.8
299.98993	1.5
300.99817	3.7
301.18091	8.0
319.19168	2.2
341.10919	18.1
357.26462	1.8
373.25992	1.8
375.27509	31.0
376.27560	2.2
459.30939	4.0
477.32300	7.7
501.31979	1.8
537.23730	3.8
575.19733	1.2
621.36218	4.8
622.37006	2.1
639.37549	100.0
640.37756	11.1
654.10107	1.4
655.26202	2.3
699.22144	3.7
699.36804	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	699.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19938	0.3
55.01869	0.3
57.03431	0.4
59.01384	3.8
71.01385	2.4
73.02956	1.2
80.02689	0.7
81.03447	0.7
83.01387	0.6
83.05027	2.6
84.02151	0.5
85.02953	0.9
87.00880	0.5
89.02449	1.7
95.05064	0.4
98.21901	0.9
101.02439	2.3
109.06598	0.4
113.02457	1.5
119.03530	0.8
120.22378	0.3
121.88295	0.3
145.05101	0.6
161.04573	1.1
163.11353	2.3
165.12851	1.3
186.84340	0.3
191.10779	0.7
209.11839	62.2
210.12196	2.1
225.11401	0.6
227.12888	8.2
235.08255	5.3
239.40991	0.3
241.89552	0.3
253.09344	7.2
253.21736	100.0
254.22092	4.9
255.23230	2.2
445.20721	0.7
489.30505	0.5
489.38647	0.3
699.44867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92996	0.5
59.01382	3.1
69.08357	2.9
71.01376	2.1
80.02650	0.6
81.03443	0.7
83.05029	3.7
85.02934	0.5
88.05564	0.4
89.02459	1.4
89.35168	0.5
95.05061	0.8
101.02443	1.7
109.06601	0.6
109.60982	0.5
113.02448	1.2
119.03395	0.5
125.06071	0.6
135.08139	0.6
145.71008	0.5
163.11278	2.7
165.12843	2.1
179.05672	0.6
181.12444	0.5
184.51450	0.5
209.11838	100.0
210.12173	3.8
220.82031	0.5
227.12888	11.9
235.08270	1.5
253.09340	8.1
253.21738	59.2
254.22020	3.4
362.10175	0.5
445.20749	1.4
470.76526	0.5
543.25922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72547	0.6
57.47859	0.6
59.01387	3.7
61.98823	2.8
65.33669	0.7
69.27528	3.7
71.01382	2.3
81.03455	1.9
83.05032	4.6
87.00894	1.0
89.02428	1.9
90.42153	0.7
98.22713	1.2
101.02442	1.8
109.06615	0.7
113.02408	1.0
119.03500	1.0
125.02380	0.7
128.73456	0.7
161.04588	1.0
163.11299	3.0
165.12877	2.1
171.10309	4.5
172.10683	1.3
181.12311	0.8
183.13931	2.7
193.12309	1.4
197.11844	3.4
198.52672	0.7
207.10266	1.2
209.11836	100.0
210.12102	3.8
211.13400	62.0
212.13770	2.0
225.11281	2.0
227.12900	13.2
235.08215	2.2
253.09349	8.3
276.82843	0.7
411.82153	0.7
429.21515	1.0
445.20834	3.1
447.22195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66655	0.8
59.01384	54.3
71.01385	1.3
71.05032	4.0
87.04537	0.9
90.49819	0.8
90.83134	0.8
97.02988	1.1
99.04523	10.9
99.08165	3.5
101.02447	1.0
103.00391	4.7
107.01422	1.6
111.00866	1.2
112.49590	0.8
113.51492	0.9
115.04019	3.6
115.07634	1.3
117.05585	7.8
123.00908	7.1
124.01675	10.2
125.02464	17.0
126.02780	1.1
137.02496	1.4
139.00439	1.1
139.04027	2.0
143.07141	4.8
145.01443	1.8
151.00406	4.1
161.08205	100.0
162.08484	1.5
168.00658	4.0
169.01442	20.9
183.02960	2.6
203.09282	20.2
203.10818	0.8
241.03751	1.1
247.08366	1.3
275.02048	1.9
276.15244	1.0
297.06277	1.8
301.00089	4.3
313.05737	4.3
453.10410	60.6
454.10764	2.9
493.49042	1.0
509.89868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98832	0.5
62.98034	0.5
70.42242	0.4
98.21867	1.0
344.87039	0.5
437.12366	0.8
438.13312	4.5
439.13748	0.9
451.14581	0.7
452.14935	1.5
453.15781	0.9
467.14038	0.8
480.14658	0.9
481.15231	34.8
482.15573	6.8
495.16806	12.0
496.17075	2.7
497.18506	7.0
498.18628	1.3
514.15021	1.8
525.14771	0.9
539.15942	2.3
540.16571	14.2
541.16528	2.5
553.16980	0.9
554.18237	4.8
555.18903	62.3
556.19257	11.9
567.18823	1.2
572.15576	10.8
573.15710	1.9
586.17181	4.9
587.17407	1.1
609.19916	1.4
627.21149	1.5
641.13153	0.6
641.22607	25.2
642.22693	6.8
701.24713	59.7
702.24921	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	701.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
69.11572	4.5
70.88716	0.7
71.01385	10.1
72.99312	2.0
83.01431	0.7
87.00866	0.7
89.02476	1.8
98.21863	1.3
101.02460	0.7
107.04984	0.8
114.99562	1.4
115.00388	29.1
123.00925	1.1
125.02473	2.1
133.01451	100.0
134.01787	3.2
134.03761	3.1
135.01845	1.3
135.04543	23.3
135.77748	0.7
142.80952	0.8
169.01434	2.8
179.03514	26.8
180.03796	1.6
208.90877	0.7
216.98949	0.7
252.52345	0.8
275.02191	2.6
295.04599	3.4
300.99927	3.7
403.12595	1.8
404.12650	1.5
405.13016	1.8
477.04080	0.8
494.29761	0.9
693.27179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28870	68.6
78.42261	70.0
79.40482	86.3
87.90878	75.3
101.84909	72.5
106.81958	72.0
227.67848	91.9
245.09320	87.0
258.67679	73.1
439.45880	97.5
525.96295	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	701.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.4
59.01392	3.5
61.47086	0.4
69.63036	0.5
71.01376	2.8
73.02936	0.7
80.02673	1.3
81.03463	2.1
83.05030	5.5
84.02186	1.2
85.02956	2.2
89.02449	1.6
93.03440	0.4
95.05000	0.6
97.02934	0.6
101.02458	1.9
109.06640	0.5
112.32189	0.4
113.02455	1.0
119.03513	0.6
125.09737	1.9
135.08180	0.8
161.04593	0.6
163.11296	3.2
165.12857	2.5
171.10313	4.3
181.12401	0.7
191.10806	1.2
192.85651	0.5
196.19353	0.4
197.11845	1.7
209.11848	100.0
210.12149	3.0
215.24261	0.4
223.13385	2.0
227.12898	11.2
235.08177	1.3
237.11322	1.1
247.13414	0.5
253.09280	5.2
445.20847	0.7
637.32507	0.7
657.31610	1.5
701.34082	5.4
702.33728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36848	0.6
51.34714	0.6
59.01362	2.5
61.98812	2.7
65.08038	0.6
69.13281	4.5
71.01392	0.9
77.52997	0.6
87.00851	1.3
88.98830	1.0
89.52784	0.6
120.38528	0.6
120.62135	0.7
125.02396	0.9
125.87038	0.6
169.01421	0.7
197.02248	8.0
217.10846	1.7
260.11911	0.7
386.70871	0.7
453.30154	3.2
485.32758	8.4
503.33859	100.0
504.34106	8.5
607.65057	0.8
701.27118	1.6
701.37030	26.1
702.37360	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75790	0.7
59.01385	6.0
61.98833	4.3
70.56393	1.4
71.01347	3.0
80.44072	0.7
85.02922	1.3
87.00848	1.5
88.98802	1.4
89.02414	2.0
91.67122	0.7
96.96011	0.7
101.02441	1.5
112.19510	0.8
119.03485	1.4
119.04986	0.6
121.02930	1.1
124.01673	1.2
125.02448	1.6
147.04454	1.1
149.02516	0.9
149.06018	2.1
169.01395	1.8
175.03909	0.9
193.25710	0.6
197.02252	6.6
211.13329	1.4
217.68275	0.8
271.32648	0.7
283.09525	1.0
300.99744	0.8
324.09882	0.8
325.10434	1.5
326.11374	1.1
340.12793	1.6
341.13516	1.4
368.12891	1.3
383.15082	1.4
417.25113	0.8
421.30756	0.9
459.34528	1.4
485.32758	9.7
491.20157	0.9
503.33853	100.0
504.34302	7.1
513.85803	0.9
519.20605	1.8
520.20990	3.5
521.20825	9.5
641.39209	1.2
701.26569	2.2
701.37012	30.8
702.37354	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	701.376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26279	1.0
57.03444	4.4
58.00568	1.0
59.01384	84.3
69.15755	6.6
71.01388	34.4
71.05022	1.6
73.02962	1.3
81.69229	1.0
83.01404	2.0
83.05038	20.4
85.02946	8.5
87.00897	1.7
89.02452	42.2
95.01398	2.6
98.21896	2.5
99.04472	1.0
101.02454	21.3
113.02465	12.7
115.07673	2.4
119.03529	19.2
131.03447	1.7
135.45871	1.1
143.03522	4.7
159.10272	12.7
161.04521	2.2
169.01431	1.2
179.05646	16.6
181.83142	1.2
247.10239	1.0
283.16995	1.7
301.18161	3.8
319.19144	1.6
461.29089	5.6
479.30179	6.1
481.24258	1.8
623.34009	2.3
641.35480	100.0
642.36041	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	701.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.4
61.98833	1.9
71.01378	1.4
73.02933	0.6
78.95923	1.2
81.96559	0.5
83.67181	0.6
85.02981	0.8
89.02464	1.6
89.99903	0.5
95.38534	0.6
98.21907	2.0
101.02442	1.4
113.02442	0.8
125.75221	0.5
167.14467	0.8
171.10297	3.4
172.10611	0.7
178.29300	0.6
183.13905	7.0
193.12334	1.7
197.11699	0.6
211.13409	100.0
212.13750	2.9
235.08255	1.7
253.09335	3.9
387.25421	0.7
429.21301	1.4
447.22430	8.0
466.59396	0.6
497.86914	0.7
623.34406	1.3
701.37640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
58.28796	0.8
59.01386	66.4
69.08183	4.6
71.01392	23.9
71.05048	1.0
73.02942	1.5
78.01136	0.7
83.01397	1.9
83.05032	11.8
85.02968	6.6
89.02451	26.4
95.01378	1.4
101.02458	16.5
113.02482	8.5
115.07655	2.0
119.03527	12.5
124.72802	0.8
131.03465	1.0
143.03481	1.7
159.10286	11.0
161.04588	2.3
168.16264	1.0
179.05612	8.7
212.50783	0.8
291.31082	0.9
301.18140	3.0
319.19104	5.5
330.28653	0.9
437.70041	1.0
461.29019	5.1
479.30261	7.4
623.34076	3.1
641.35516	100.0
642.35675	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	701.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66042	0.9
57.03441	2.0
57.04763	1.0
59.01385	35.9
61.98832	1.3
69.50541	4.4
71.01386	20.5
73.02950	4.0
76.30828	0.8
78.51046	0.9
79.95738	2.0
82.07619	0.9
83.01379	1.8
83.05034	1.4
85.02952	9.3
87.00880	1.4
87.04535	4.1
87.47074	0.9
89.02453	18.6
95.01451	1.9
96.96017	76.1
98.21883	2.0
101.02441	11.5
113.02464	10.1
113.06090	2.8
119.03471	5.3
125.02451	3.8
134.03795	1.1
143.03522	1.3
160.21358	1.1
161.04568	3.0
168.86591	0.9
169.01436	3.4
179.05594	2.6
179.67404	1.2
227.14429	12.0
243.13766	1.1
245.15437	2.7
261.15048	3.0
263.16528	85.4
264.16895	2.7
275.02069	1.1
275.16461	2.8
277.12790	4.6
289.18182	2.0
300.99884	1.5
317.17648	1.3
319.18948	2.6
363.21753	3.4
451.13086	1.2
461.28827	1.1
473.19135	1.3
549.61865	1.2
603.13184	2.8
641.35468	100.0
642.35797	10.1
701.14471	1.2
701.26514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03453	2.7
58.00584	0.6
59.01385	100.0
69.34119	2.5
71.01390	34.4
71.05031	2.3
72.99323	0.9
73.01416	0.7
73.02967	1.4
83.01395	1.5
83.05033	14.3
83.05495	1.1
85.02958	6.2
87.00896	2.3
89.02454	61.4
95.01411	1.5
96.96026	1.9
101.02459	21.7
101.03113	1.4
113.02468	18.8
115.07687	2.2
119.03519	27.8
125.02486	1.7
131.03488	3.9
131.79649	0.8
143.03514	7.8
149.04599	2.1
149.06143	0.9
151.03961	0.9
159.10286	8.9
161.04550	8.9
161.08237	1.1
169.01410	1.2
175.09805	3.0
179.05627	37.0
212.72920	0.8
231.13878	1.1
255.17760	0.6
271.83047	0.7
283.17218	0.8
299.98999	1.0
301.18512	0.9
391.25043	1.3
392.92307	0.7
443.28268	1.6
461.29120	9.8
464.40195	0.7
467.10147	0.7
479.30194	1.6
539.20300	1.0
623.34125	1.1
641.35474	42.6
642.36084	2.6
661.69727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79109	0.6
55.01882	1.1
57.03442	2.3
58.00613	1.6
59.01383	100.0
69.82027	2.3
70.13458	0.6
71.01385	55.3
72.99308	1.4
73.02949	3.6
75.00845	0.7
83.01411	2.5
83.05024	6.8
85.02959	12.2
87.00875	3.7
89.02453	79.2
91.72367	0.6
92.54103	0.7
94.92744	0.6
95.01421	2.7
101.02451	28.9
101.03106	1.5
113.02456	21.0
115.07644	1.2
119.03511	36.2
125.02483	2.3
131.03528	5.1
133.01506	0.8
136.95239	0.7
143.03511	9.7
149.04559	3.3
159.10269	5.2
161.04553	12.8
169.01414	1.4
179.05630	60.0
180.06000	0.7
283.17105	1.4
300.99905	0.9
301.18149	2.0
319.19031	3.5
461.29132	3.4
479.30215	11.7
547.29987	0.7
641.35474	50.9
642.35779	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	701.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74740	0.2
55.01874	0.2
57.12070	0.2
59.01381	2.5
60.19835	0.2
71.01383	2.4
73.02943	1.0
74.45829	0.2
80.02689	0.4
81.03462	0.6
83.01387	0.4
83.04575	0.3
83.05030	2.2
84.02177	0.4
85.02959	0.7
85.11916	0.2
87.00881	0.9
89.02428	1.6
92.84276	0.2
95.05024	0.6
101.02454	2.9
113.02454	1.4
119.03527	0.5
125.06120	0.4
133.05103	0.5
135.08163	0.4
142.36452	0.2
143.03490	0.3
145.03960	0.2
145.05099	0.7
161.04628	1.3
163.11330	2.1
165.12837	1.2
172.18951	0.2
179.05583	0.4
191.10829	0.4
192.81113	0.2
209.11841	61.3
210.12157	2.3
227.12917	6.8
235.08212	5.7
253.09311	6.3
255.23305	100.0
256.23660	4.4
427.19608	0.4
445.21002	0.3
491.32660	0.3
657.10577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2618
Annotation	Fischeroside B
Peak:m/z	Relative Intensity
50.54126	0.7
51.90488	0.7
53.85340	0.7
59.01386	1.8
61.98827	1.8
65.00312	0.8
67.01900	0.7
69.03453	1.8
69.22753	1.6
69.23159	3.1
71.01398	2.2
77.04083	0.7
79.01918	1.6
83.01401	1.2
85.02956	1.4
87.22390	0.7
88.96144	0.8
95.01391	1.3
97.02953	1.6
101.02481	0.8
107.01400	9.1
109.02905	0.9
110.86524	0.7
111.00889	1.9
121.32030	0.7
123.00897	13.4
124.01674	14.9
125.02462	44.2
127.00380	1.2
136.98810	1.5
139.00400	3.7
140.01183	5.2
141.01883	2.1
151.00394	9.0
153.01953	1.2
163.03961	0.9
168.00642	10.0
169.01440	47.8
177.04155	0.9
211.02412	1.1
313.05722	2.1
329.05008	1.2
431.71835	0.8
533.23682	1.3
551.25024	21.7
552.25140	1.1
666.02008	1.0
703.26117	100.0
704.26416	8.0
712.61853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16818	2.3
57.39893	2.4
57.91679	2.3
59.01384	2.6
61.98827	2.6
65.27237	2.0
83.37731	2.1
95.01368	3.6
97.02948	2.4
107.01382	7.9
111.00868	3.3
123.00900	12.0
124.01678	16.4
125.02464	48.5
136.47520	2.5
136.98895	2.8
139.00414	3.6
140.01151	3.6
151.00333	6.5
151.53792	2.2
168.00595	12.7
169.01437	53.4
207.10333	3.4
209.11864	5.4
255.13364	3.3
318.28928	2.5
477.67477	2.6
530.94434	2.4
533.24048	3.2
551.25214	16.9
703.26117	100.0
704.26697	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	703.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
55.11455	0.7
57.03438	1.7
59.01382	17.7
61.98822	2.6
65.03963	1.1
69.03458	7.6
71.01385	10.1
71.05013	2.6
73.02944	2.4
80.02703	1.4
81.03461	2.0
82.95406	1.3
83.01388	1.8
83.05046	4.7
84.05372	0.7
84.95127	4.5
85.00465	4.1
85.02956	2.4
86.71153	0.7
87.00897	2.5
89.02456	5.8
95.05033	1.5
97.02949	4.1
97.06586	3.1
99.00869	2.5
101.02466	7.5
104.51736	0.7
106.95671	0.7
107.05030	1.1
107.62971	0.9
108.02205	1.7
109.06606	25.0
110.03756	2.1
113.02480	4.3
113.06120	0.7
119.03513	1.2
121.06612	1.5
123.08154	1.6
125.02489	3.5
125.09751	7.1
135.08177	2.9
136.05316	1.8
137.09727	1.2
142.02646	0.7
145.05061	1.1
145.10179	0.9
148.45515	0.7
151.11305	5.5
153.12833	2.2
161.04555	3.0
161.09746	8.3
163.11317	12.8
169.01447	3.5
171.10240	3.7
179.10806	20.5
181.12364	4.8
185.11873	3.9
189.09239	1.0
191.10786	0.9
194.65514	0.7
197.11850	100.0
198.12253	3.5
199.09772	1.4
201.11438	1.1
207.10283	49.2
208.10677	1.2
209.11858	17.1
219.10135	1.1
223.09744	3.6
225.11336	30.9
227.12924	3.0
235.08223	2.2
237.11246	1.1
241.10860	10.6
243.12549	1.3
253.09293	9.9
299.14951	1.2
326.15421	0.8
387.21902	1.7
405.22958	1.4
459.18869	3.1
461.20410	8.0
477.19745	10.3
523.25726	1.9
623.30811	1.7
635.31000	1.3
641.32062	2.9
653.31531	1.0
659.29272	1.4
667.29980	3.1
671.32990	1.9
685.30762	42.9
686.31378	4.5
703.24872	1.5
730.18329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75676	1.1
55.01878	1.3
57.03449	1.2
57.07041	1.1
58.09887	1.1
59.01133	1.1
59.01390	12.5
61.98832	2.2
69.03432	1.2
69.60076	3.6
71.01382	6.5
71.63321	1.3
73.02940	1.7
74.83548	1.1
76.95961	1.0
80.02689	2.2
81.03469	5.3
83.01392	1.3
83.05032	7.7
84.02198	1.6
84.69703	1.3
85.02940	2.7
87.00894	1.7
89.02440	4.3
95.01406	3.2
95.05025	1.6
97.02950	4.3
98.21803	1.0
99.00868	1.4
101.02454	6.6
107.01385	5.1
109.06602	24.8
111.00896	2.4
113.02448	3.1
115.21750	1.2
115.32472	1.0
119.03521	1.7
123.00900	6.8
124.01688	10.6
125.02450	22.0
125.06096	1.3
125.09704	1.9
135.08153	4.2
136.05350	1.4
139.00383	2.2
140.01175	3.0
142.02663	1.1
143.57529	1.1
151.00383	2.1
161.04579	1.9
163.11296	17.8
165.12827	3.2
168.00659	6.6
169.01427	24.1
170.01682	1.2
171.10266	1.8
181.12346	4.0
185.11879	1.6
191.10858	1.1
197.11818	2.4
207.10280	59.6
208.10576	1.6
209.11850	100.0
210.12163	4.4
211.02495	1.9
211.13455	1.7
223.13356	1.2
225.11327	26.5
226.11594	1.3
227.12874	17.2
235.08232	5.0
253.09250	11.7
308.25885	1.1
355.22885	1.2
381.20712	1.7
399.21683	5.0
412.75815	1.2
417.23022	6.7
423.47705	1.2
443.19464	2.4
461.20468	10.6
533.23468	1.9
551.25146	4.8
635.31158	13.8
636.31677	1.8
653.31726	13.8
671.32837	24.9
672.33093	2.2
703.26031	45.7
704.26312	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	703.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01171	39.1
70.21273	45.3
70.21597	100.0
71.56322	40.7
75.00397	48.1
116.25207	40.8
136.13843	48.4
192.02725	39.2
255.23282	65.4
256.23618	48.2
257.23834	46.6
698.82758	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79041	23.8
56.22784	23.2
65.15203	24.3
73.67614	25.9
112.35260	25.9
142.06151	25.7
177.74739	26.5
179.87022	23.4
213.42142	29.0
255.23354	42.0
256.23544	38.4
277.21774	100.0
573.57520	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10165	0.6
55.01880	0.9
57.03450	0.7
59.01383	100.0
71.01388	30.9
72.99316	1.1
73.02979	1.6
79.95752	1.1
83.01400	0.8
83.05036	4.9
85.02952	5.8
87.00883	1.6
89.02449	39.5
95.01401	1.6
96.96023	29.3
99.00877	0.9
101.02457	16.9
113.02454	14.0
113.32698	0.7
115.07682	1.3
119.03516	18.3
119.04339	1.2
125.02485	2.1
131.03539	2.9
137.02461	0.7
143.03500	4.2
149.04617	1.3
159.10278	4.2
161.02611	0.7
161.04585	6.4
167.10324	0.7
168.69537	0.6
169.01500	2.1
177.05574	0.7
179.05638	16.1
189.14853	0.8
269.00650	0.7
275.02090	1.0
300.99997	1.6
347.22391	1.9
387.25769	1.1
463.30890	2.9
481.31763	15.7
482.32166	1.5
625.36267	1.3
643.36993	55.4
644.37628	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	704.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
60.01719	0.4
61.01846	0.1
61.98834	100.0
71.30281	0.2
77.58021	0.2
131.76302	0.1
364.19308	0.2
412.82407	0.1
440.13483	0.3
441.14282	0.1
483.15149	0.8
484.15222	1.3
497.16846	0.3
498.17374	0.4
542.16705	0.3
543.17303	0.4
556.19305	0.5
557.18817	1.4
558.19202	2.6
575.15735	0.3
589.18097	0.2
643.22858	0.4
644.22925	1.4
703.25067	0.3
704.24585	4.0
705.23926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.3
61.98836	100.0
71.01409	0.4
75.03880	0.2
78.95937	0.4
104.24352	0.2
143.57324	0.3
209.11850	0.5
211.13557	0.4
212.13805	0.4
261.12793	0.2
299.88168	0.2
451.16772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87670	0.7
56.46208	0.7
59.01394	4.7
60.30906	0.8
61.98830	1.4
69.03455	1.6
71.01384	2.7
71.05013	1.3
71.43998	0.9
85.02975	0.9
89.02451	1.8
90.09731	0.8
93.07082	1.2
95.08619	1.0
96.96005	1.8
97.02960	0.8
107.01431	1.9
111.00889	1.0
116.92846	2.5
121.06606	32.0
123.00882	4.3
124.01673	6.7
125.02450	15.0
137.09818	0.9
139.00435	1.0
139.07663	55.0
140.01155	0.9
151.00417	1.7
168.00682	10.2
169.01442	29.5
172.60332	0.8
183.06633	100.0
184.06958	2.3
211.02498	44.1
241.03485	1.2
271.04614	76.3
272.04929	1.4
331.06693	24.8
353.58749	0.8
511.24448	0.8
521.20331	49.0
522.20605	2.8
678.28595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.3
61.98544	9.4
61.98835	100.0
71.01393	22.2
71.41157	5.5
78.95910	17.6
80.96523	9.1
89.02470	9.2
101.02469	11.0
109.06548	8.9
111.20797	4.4
123.00942	6.7
125.02391	6.8
150.40703	5.2
152.99597	11.4
163.11345	8.9
169.01445	9.8
171.10260	19.7
179.10825	6.3
197.11839	17.5
201.11333	11.4
207.10272	44.7
209.11853	45.0
211.13319	9.0
225.11450	25.7
227.12878	5.9
235.08191	6.1
253.09366	7.0
300.99796	6.7
383.82306	5.3
415.21399	7.2
437.76270	5.3
461.20416	10.3
533.76105	6.3
551.15143	6.6
561.11066	6.9
625.28461	14.2
633.30621	7.8
651.30298	29.4
669.31177	12.2
673.34711	7.0
705.29285	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	705.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20131	3.4
50.49185	3.9
51.11243	5.0
59.01390	21.6
61.98833	51.2
71.01381	18.8
73.17669	3.8
73.86720	4.1
78.95920	7.3
87.00890	7.6
89.02440	5.6
97.02943	8.8
101.02474	6.7
109.06605	36.4
125.09779	5.8
135.08174	6.2
152.99609	4.5
161.04575	5.9
163.11278	16.6
169.01433	6.6
171.10228	5.7
197.11891	9.4
207.10287	84.2
209.11896	27.2
211.13474	5.5
225.11310	58.5
235.08278	7.5
253.09317	14.0
277.40570	4.7
312.65381	5.3
397.20221	8.4
405.17407	5.4
415.21167	16.4
433.22220	7.7
443.19019	8.9
461.20349	18.5
597.29492	7.5
607.27405	14.9
625.28577	39.6
626.27710	5.4
633.28821	24.9
651.30194	100.0
652.30206	8.6
669.31287	56.9
670.31982	7.6
705.27893	29.5
709.06165	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	705.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33613	3.4
61.98835	100.0
67.76112	2.1
69.12838	15.0
71.01376	4.9
101.02436	2.4
157.50629	2.2
165.25659	2.4
195.13997	2.7
197.11830	3.6
205.12283	3.1
207.10164	3.2
209.11861	48.5
223.13443	43.5
224.13644	3.0
225.11252	4.1
227.12982	12.2
235.08226	4.5
253.09314	4.1
395.59448	3.4
459.22250	10.6
651.34161	6.0
672.54132	2.9
705.32776	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	705.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66482	3.5
53.07687	3.7
55.59516	3.2
59.01382	3.6
59.94722	2.9
61.98835	87.4
64.56165	3.6
69.24713	3.3
69.87430	13.2
71.01380	9.1
73.14182	3.4
83.04990	4.9
98.22530	4.7
108.90579	3.4
169.27512	3.4
190.75136	3.4
195.13950	4.5
197.11819	4.6
205.12309	4.8
209.11848	85.7
211.13370	4.4
223.13400	100.0
227.12860	27.4
253.09360	7.3
265.05301	3.4
445.20975	6.0
459.22839	18.4
528.12988	4.1
539.13080	4.4
651.34155	7.7
669.35406	5.1
705.32697	28.6
735.45270	3.7
737.04077	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.2
61.98833	100.0
71.01376	26.4
75.00854	4.7
78.95919	14.2
80.96505	9.0
83.05060	5.0
87.00870	4.2
96.31685	3.7
96.96006	6.5
99.00900	4.1
102.85933	4.0
109.06575	5.6
112.52158	4.2
121.02989	4.2
137.07675	4.0
138.14534	4.6
144.13278	4.4
152.99626	6.1
169.12354	6.2
171.10298	18.3
181.12318	5.0
201.11423	7.3
207.10252	16.8
209.11850	42.1
211.13435	10.5
215.12927	4.3
215.15213	4.4
223.13528	21.4
225.11256	20.6
227.12930	11.4
253.09377	8.5
255.23326	4.6
459.22540	4.8
461.20590	6.9
493.02087	4.0
633.32599	4.6
651.34802	4.6
669.33295	4.4
687.33295	4.5
705.32788	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77240	6.6
55.19783	6.5
59.01371	18.7
61.98833	62.4
71.01389	100.0
73.02975	6.7
73.54552	6.8
78.95908	20.7
83.05056	7.9
85.02971	7.7
87.00885	19.7
96.96015	11.2
99.00931	12.0
109.06550	15.3
113.02488	8.6
116.52145	6.9
125.09736	15.5
158.63695	6.8
163.11340	19.6
171.10309	68.1
185.11824	7.6
197.11830	18.2
201.11340	30.8
204.82004	6.9
207.10248	50.7
209.11853	49.8
211.89500	6.4
215.12845	9.4
223.09727	15.2
223.13547	13.1
225.11304	71.1
253.09258	19.0
322.31750	6.2
461.20447	10.8
483.75037	7.1
524.45178	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	705.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
58.00604	1.5
59.01381	18.2
60.55111	1.3
61.98827	3.8
69.03458	8.8
71.01397	10.7
71.05011	2.5
73.02958	2.8
83.01407	1.8
83.05019	3.7
84.04675	1.4
84.94488	1.3
85.02953	3.9
87.00867	4.3
88.98808	2.3
89.02458	7.4
96.95999	2.4
97.06609	1.6
98.21775	2.3
99.00874	1.6
101.02483	8.7
107.01408	1.9
109.06601	1.4
113.02480	3.3
116.92841	1.9
119.03551	1.9
123.00882	4.1
123.04575	1.9
123.08192	1.8
124.01681	2.6
125.02494	6.7
125.09716	6.7
127.11317	3.2
137.09682	1.5
139.11235	1.8
150.03207	5.4
151.11301	3.4
153.12836	2.3
156.31143	1.3
161.04611	1.7
161.09729	6.7
163.11305	3.3
165.05519	3.8
165.09183	1.8
165.12839	2.6
169.01456	8.5
171.10269	5.6
179.10777	10.3
182.23843	1.6
183.10243	4.4
195.06587	2.8
197.11838	100.0
198.12140	3.3
199.13345	2.3
201.11330	42.6
201.13187	3.0
207.10283	2.6
209.11848	55.0
210.12309	1.9
225.11295	3.2
227.12840	5.2
241.10741	3.8
253.09286	6.3
320.24280	1.4
401.14725	2.3
477.19669	2.2
491.19070	1.6
493.14984	6.2
553.15576	4.6
619.31287	2.5
643.20435	4.0
661.30981	32.5
662.32153	2.2
687.32373	93.6
688.32458	5.2
705.17365	3.3
705.33429	71.1
706.33795	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	705.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
67.98763	1.1
68.81992	1.2
71.01380	2.2
81.03459	1.2
83.05029	5.1
98.21811	2.3
101.02470	1.9
113.02456	1.2
118.48638	1.0
163.11223	3.3
165.12883	1.3
171.10303	2.4
209.11842	100.0
210.12239	5.7
227.12926	14.1
235.08151	1.4
253.09280	6.0
259.15442	1.5
411.68637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71473	2.1
59.01388	4.1
61.98830	41.3
69.03449	2.2
69.23824	7.4
69.24227	4.5
71.01375	2.7
79.01913	2.6
86.35128	2.0
95.01412	6.4
96.96039	3.8
107.01393	2.5
111.00924	3.7
123.00893	32.9
124.01652	7.8
125.02461	17.7
139.00404	5.8
140.01225	3.3
141.01971	5.3
150.03276	2.9
151.00410	4.5
161.02664	2.3
166.99869	10.1
168.00653	6.0
169.01428	17.0
200.38248	2.4
311.09406	3.2
320.20856	2.4
326.11676	4.4
327.12335	9.4
478.12744	32.8
493.15097	100.0
494.15515	3.0
643.20398	72.8
644.20081	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	706.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98834	100.0
73.51110	0.1
104.72820	0.1
167.47630	0.1
179.88235	0.1
183.13943	0.2
207.10136	0.1
209.11945	0.5
210.12187	0.2
225.11374	0.4
259.58685	0.1
297.79132	0.1
674.35535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.8
59.01379	3.5
61.98840	3.6
64.82112	1.4
69.12587	9.6
71.01382	2.3
73.81366	1.4
77.04254	1.6
83.01374	6.4
84.75371	1.6
88.17470	1.4
107.01367	2.0
107.39245	1.7
109.02930	7.9
121.02899	2.2
123.00910	1.9
124.01703	6.3
125.02457	75.7
132.02217	1.8
137.02454	4.4
147.00851	3.5
149.02428	7.0
160.01624	7.8
161.02385	5.7
163.00349	1.7
164.01254	1.6
165.01941	6.6
165.05658	2.1
169.01414	11.2
175.04034	12.6
179.05649	3.1
181.08705	2.3
182.03801	3.4
187.07780	2.1
198.03143	2.3
199.03915	11.5
200.04756	3.5
210.03214	8.8
211.04056	7.5
212.04590	2.3
213.05577	3.9
214.06331	1.8
217.05038	8.8
217.08702	3.7
223.03973	6.9
224.04758	7.3
225.05666	3.3
227.03572	8.4
227.07214	3.7
228.04268	2.9
229.08766	1.9
238.06319	2.0
239.03471	3.3
239.07167	26.0
240.04230	3.7
240.07846	2.5
241.05023	7.5
245.08173	3.3
251.03468	2.7
255.03046	5.3
257.08191	11.5
263.07117	4.3
267.02936	13.2
268.03854	10.8
269.04355	2.5
271.09766	2.4
275.02072	2.6
279.06625	3.1
279.10254	4.6
283.02527	13.5
284.03198	13.0
285.04044	37.8
286.04477	2.4
291.06583	2.5
297.11252	3.1
300.99829	4.8
303.10266	2.3
307.06152	2.9
319.09677	4.1
321.07657	3.3
321.11133	2.5
335.05411	2.5
336.06400	5.6
337.10803	2.9
339.08731	3.3
347.09195	17.5
348.09457	3.7
355.11798	9.5
365.10300	100.0
366.10648	5.4
371.09018	2.2
383.11346	23.3
384.11719	2.8
385.11194	1.8
389.10138	5.5
407.11191	2.8
419.13489	8.1
446.08252	3.2
447.09286	50.2
448.10120	21.9
527.15637	39.7
528.15924	3.2
545.16620	37.2
546.16772	5.1
555.13495	3.2
569.16376	2.1
609.14368	9.8
707.14862	6.7
734.52686	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.22
Annotation	Pedunculosumoside C
Peak:m/z	Relative Intensity
55.58842	1.2
57.03447	8.7
59.01394	7.8
65.00305	1.2
66.54221	1.0
69.35866	2.7
69.36269	4.7
71.01389	5.3
77.65588	1.1
79.96551	1.2
81.03449	1.7
83.01386	5.6
85.02962	1.4
87.00877	2.2
89.02456	3.6
101.02466	3.7
109.02978	8.2
119.03531	1.6
121.02982	1.7
123.00931	2.3
124.01692	6.1
125.02457	73.2
132.02167	1.9
137.02460	7.0
147.00905	3.8
149.02504	6.7
160.01665	6.8
161.01253	1.1
161.02438	7.8
161.04588	1.4
163.00385	3.4
163.04048	1.5
164.01193	1.5
165.01947	7.8
169.01472	4.0
171.04523	2.0
173.06133	1.4
174.03290	2.4
175.04007	12.3
177.01953	1.9
182.03691	1.2
183.04518	2.8
185.06046	1.6
187.11290	2.7
191.03479	2.2
194.36150	1.6
195.04565	1.5
196.05231	1.7
197.06087	1.7
198.03175	1.9
199.04010	9.8
200.04749	2.2
201.01949	1.8
201.05565	2.5
205.12341	1.7
210.03203	9.2
211.03978	10.8
211.07658	4.7
212.04730	2.9
213.05534	3.9
213.09215	1.8
217.05028	5.8
217.08722	4.8
221.06314	2.3
223.03957	6.5
224.04825	8.1
225.05597	3.4
227.03537	8.4
227.07170	2.4
228.04243	4.4
229.08636	3.5
235.07777	2.1
237.09250	2.2
238.06241	2.4
239.03534	2.8
239.04442	1.6
239.07133	30.4
240.04242	5.2
240.07700	3.4
241.05089	7.4
241.08563	1.3
245.08195	4.7
249.05600	1.9
251.03380	2.9
251.10916	1.7
253.08659	3.3
255.02974	3.7
255.10295	3.1
256.07407	3.7
257.04523	2.2
257.08194	15.3
263.07092	4.2
266.05893	1.7
267.03012	16.6
268.03754	12.0
269.04486	1.6
269.11780	2.3
271.09738	2.6
275.06558	1.5
277.08801	2.5
278.09378	2.0
279.06671	1.3
279.10110	5.3
280.07327	1.7
283.02524	14.6
284.03238	10.7
285.04062	42.0
286.04459	2.8
289.04736	1.3
290.05939	2.5
291.06625	3.7
295.09937	3.7
297.07968	1.3
297.11319	3.9
300.99991	4.0
303.06619	2.9
303.10275	3.5
307.06168	3.3
308.07083	1.7
309.04086	1.9
309.07547	2.1
318.05399	1.5
319.09753	3.4
321.07672	7.0
321.11392	5.0
322.08374	2.9
329.08185	1.6
335.05630	3.7
335.09348	2.0
336.06351	6.0
337.10910	1.9
339.08701	2.7
347.09198	19.4
348.09793	1.7
355.11862	15.3
365.10303	100.0
366.10587	7.0
371.09149	1.5
383.06958	2.3
383.11401	31.0
384.11835	2.3
389.10352	5.9
407.11389	3.9
408.11679	1.6
419.13589	6.3
446.08670	4.0
447.09302	53.0
448.10040	22.3
449.10135	1.5
453.17593	1.9
466.53067	1.9
467.03552	1.8
483.12512	1.7
483.22556	1.8
489.14157	1.2
509.14594	2.4
527.15533	39.3
528.15808	4.6
545.16644	38.6
546.17273	3.8
582.43475	1.4
609.14783	7.2
702.04480	1.3
733.87097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.4
61.98834	2.4
65.00306	1.3
67.01924	1.7
69.03460	2.2
71.01394	7.4
72.70827	1.4
72.78637	1.3
73.02967	1.5
79.01904	3.0
82.00599	2.0
83.01395	2.2
87.00887	4.9
89.02469	2.1
93.03439	1.4
95.01404	11.0
96.96019	11.5
97.02955	1.5
99.00881	1.5
101.02475	2.9
106.38750	1.4
107.01407	8.0
108.02185	2.9
109.02956	3.1
111.00893	4.3
113.02435	2.7
116.92889	2.6
121.02985	4.3
122.03733	3.1
123.00906	40.1
123.04507	3.3
124.01695	25.0
125.02467	31.1
127.00407	3.1
135.04556	3.0
136.01654	2.5
136.98862	4.6
137.02486	9.3
138.03262	1.7
139.00427	11.3
139.03984	5.0
140.01176	9.9
141.01984	4.3
149.02475	4.7
150.03265	12.0
151.00334	2.3
151.04030	4.5
155.03601	1.6
162.03250	1.4
164.04831	1.9
165.05592	7.6
166.99889	13.1
168.00658	15.7
169.01460	39.1
171.10284	4.2
181.01439	6.0
182.02243	3.0
183.03003	16.8
189.05602	1.4
197.04518	3.6
199.13345	2.0
201.11363	6.5
207.10338	3.6
209.11833	10.4
215.07191	1.3
225.11287	6.8
227.12985	2.1
229.10776	1.4
272.59964	1.8
287.03043	1.5
300.99982	3.2
323.74991	1.6
337.11209	15.3
337.61456	5.8
387.10809	2.7
495.12982	3.2
509.14395	6.7
510.15341	30.9
511.16089	6.4
518.20703	1.4
525.17755	6.1
548.94720	1.7
565.17194	7.9
566.18683	1.8
583.18579	3.2
659.21637	4.3
663.32568	2.3
671.21942	2.6
675.32141	3.3
689.22424	11.9
689.33795	4.0
707.23572	100.0
707.34937	7.8
708.23834	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	707.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.1
59.38169	2.3
61.98839	100.0
67.23996	2.0
71.01388	8.4
81.80827	2.1
89.02473	2.4
96.04046	2.2
96.96071	2.6
101.02437	4.1
109.06613	3.1
125.02486	2.8
125.99499	2.2
145.77988	2.2
154.97900	2.7
163.11330	2.3
169.01382	3.3
171.10242	5.1
201.11285	3.4
207.10297	13.0
209.11830	30.9
225.11415	13.2
225.13286	2.2
227.12914	6.5
235.08250	2.6
253.09224	3.1
257.63498	2.3
300.99762	3.6
371.49356	2.4
406.73416	2.4
506.61447	2.8
635.30969	3.6
653.31915	8.8
671.32648	10.7
707.29059	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	707.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03453	0.6
58.18094	0.4
59.01384	100.0
60.01731	0.5
69.57840	1.9
71.01388	8.4
73.02946	3.9
83.01406	2.0
85.02965	4.5
89.02457	1.3
93.33459	0.4
95.01419	1.0
96.95984	0.5
98.22614	0.9
99.00917	1.4
101.02459	9.8
101.03107	0.6
113.02470	3.9
119.05103	0.5
125.02500	0.9
132.70943	0.5
138.06892	0.6
138.91354	0.4
152.08452	0.4
153.09274	2.4
159.03069	1.0
161.04573	4.5
163.04008	0.5
169.01526	0.8
190.81691	0.5
205.12341	0.6
223.13380	0.9
235.11880	19.1
270.38937	0.5
275.02078	0.7
277.12915	9.0
277.15854	0.5
284.32220	0.5
301.00043	1.7
385.18829	1.4
385.26468	0.5
645.61646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.1
61.98816	1.1
71.01388	63.6
73.02951	4.8
79.29002	1.2
81.03466	1.7
83.05051	6.6
84.02148	1.7
85.02975	3.6
87.00896	2.3
89.02460	4.4
90.08487	1.1
95.01384	2.0
96.03761	1.2
96.96027	3.2
97.02940	1.8
99.00893	1.7
101.02448	8.2
109.06595	6.0
113.02449	2.9
123.00872	2.5
123.04514	1.9
125.02464	3.1
125.06123	1.4
125.09692	3.3
127.11299	3.6
130.99930	1.2
135.08212	1.6
137.09756	1.8
153.05615	1.7
155.10767	2.0
161.04596	2.4
163.11284	7.5
165.09212	1.4
165.12910	2.9
169.01465	3.5
171.10284	54.1
171.17401	1.2
172.10663	2.4
177.05182	1.3
179.05756	1.9
181.12314	3.5
183.10359	1.5
185.11803	2.1
197.11876	1.5
199.09790	7.7
199.13368	2.8
201.11356	34.9
207.10248	14.7
209.11848	100.0
210.12177	5.3
215.12863	1.3
225.11314	19.8
227.12915	11.7
235.08202	4.0
243.12399	3.0
253.09311	13.9
300.99884	2.4
315.69858	1.2
351.39993	1.2
384.08264	1.5
405.77350	1.5
417.22809	1.5
454.20139	1.8
461.20215	3.4
479.13312	1.3
617.25983	2.2
635.31226	1.6
653.31549	1.4
663.32727	1.7
671.34143	3.6
689.33954	2.8
707.23907	2.7
707.35162	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.01383	44.6
61.98836	36.7
69.03456	2.3
71.01385	29.8
72.24406	1.1
72.99335	1.6
73.02942	5.2
78.95934	1.7
83.01385	3.3
83.05039	2.3
85.02975	5.6
87.00895	4.1
89.02454	30.3
92.70324	1.1
94.35004	1.2
95.01380	1.7
95.05038	1.2
97.02965	4.3
99.00887	3.2
101.02448	24.3
104.75265	1.2
109.06638	2.3
111.08184	11.7
113.02448	8.8
118.59924	1.1
119.03513	9.6
125.02459	7.2
137.09727	1.3
143.03523	3.6
148.05234	1.0
161.04504	5.1
163.11319	1.5
165.21410	1.1
167.10760	2.4
177.12891	2.5
179.05666	4.3
179.10762	2.2
185.04587	1.3
195.13907	6.6
201.11369	1.7
207.10240	5.4
208.10539	1.3
209.11867	6.7
217.07059	1.4
221.06749	1.3
225.11386	4.9
227.12799	2.4
235.08224	5.5
247.20671	1.6
253.09323	3.2
255.02808	1.4
263.07874	1.4
275.20206	1.4
291.19684	100.0
292.20084	5.3
356.96143	1.1
377.66440	1.2
393.68652	1.1
397.13541	16.5
415.14606	15.1
461.20129	1.5
633.29102	1.6
635.30084	1.8
651.30695	2.1
653.31494	1.8
669.31403	1.6
671.32916	1.7
707.28918	2.3
716.22760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	40.6
61.98836	12.2
69.03444	1.5
69.35550	5.7
71.01390	50.5
71.04987	1.1
73.02956	2.5
73.29740	1.1
78.95894	1.3
83.01427	1.8
83.05033	5.1
84.95119	2.0
85.00401	1.2
85.02950	3.6
87.00869	2.4
88.98824	1.9
89.02446	5.4
92.71445	1.1
94.02917	1.4
95.01383	1.9
96.95996	3.6
97.02947	2.5
98.22591	3.1
99.00867	3.5
101.02441	7.5
109.06581	3.2
113.02464	2.4
116.92867	4.8
117.92866	1.3
119.03519	2.3
123.00908	3.0
124.01649	2.2
125.02449	8.5
125.09723	3.3
127.11302	2.0
135.04524	1.4
135.08192	1.7
137.02495	1.2
139.73563	1.2
140.01193	1.4
141.02005	1.7
148.04053	1.4
151.00417	1.3
161.04578	1.5
163.11302	6.8
169.01405	7.2
171.10294	30.5
181.12216	1.6
190.07571	2.4
197.11902	1.8
199.09784	3.5
199.13409	3.4
201.11327	25.2
202.11546	1.6
207.10262	14.7
209.11853	55.8
210.12180	4.8
225.11363	16.3
227.12941	7.5
232.08482	2.4
235.08203	2.3
253.09328	7.9
259.13370	1.6
282.09949	1.5
291.19714	1.4
292.08478	1.4
293.09393	2.9
301.00049	1.5
309.08508	2.0
309.20691	5.0
454.19888	4.8
461.20490	2.8
485.32767	100.0
486.33078	7.2
496.31757	1.4
503.33847	8.5
591.28290	4.6
597.26642	1.3
617.26184	4.5
653.31384	2.4
671.32428	2.8
675.26801	4.5
689.33716	7.3
707.22760	1.4
707.34241	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	708.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15279	0.5
55.01868	0.4
57.03441	0.7
59.01385	3.3
61.98845	2.8
66.08086	0.4
69.03461	1.5
71.01376	2.1
71.05019	0.7
72.55284	0.6
73.02984	0.6
81.76942	0.5
83.05057	0.6
83.94436	0.5
85.94579	0.5
87.83269	0.5
89.02456	1.3
98.22671	1.4
98.39276	0.5
101.02438	1.6
101.04668	0.5
113.02457	0.7
119.03533	0.6
137.75629	0.5
161.04572	1.3
167.10826	2.1
171.31056	0.5
177.12845	0.7
179.05626	0.6
179.10837	1.2
179.14432	2.1
182.17200	0.7
186.76540	0.5
195.13918	7.5
197.11780	0.9
205.12340	9.3
223.13408	100.0
224.13718	3.9
235.08229	2.8
249.15123	0.6
253.09294	4.2
411.25528	0.7
429.26163	1.2
441.21140	2.0
447.27014	0.5
459.22321	18.1
460.22629	1.4
647.34198	2.0
648.35028	0.6
665.35687	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	708.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13760	1.3
59.01379	2.7
61.98830	4.2
69.26588	5.9
84.00914	2.2
89.13744	1.3
96.96015	4.7
103.04076	1.7
125.02448	20.0
126.02812	4.6
155.71599	1.8
168.12729	1.3
169.01454	29.7
170.01804	7.0
185.82915	1.3
204.05168	2.3
367.52075	1.6
421.30481	1.3
429.61050	1.7
443.61313	1.4
453.30246	2.7
485.32529	6.4
503.33850	100.0
504.34286	11.4
605.68219	1.7
693.67578	1.6
708.23309	2.1
708.39771	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	708.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
61.98835	13.9
69.12575	8.2
71.25776	1.6
84.00922	3.2
95.07304	1.8
96.96014	3.1
107.01381	1.5
118.06079	1.4
123.00905	3.6
125.02477	8.8
151.00368	1.5
161.00977	1.6
162.03229	1.6
169.01416	9.2
198.88968	1.6
271.04486	1.8
434.59811	1.9
457.26645	1.5
485.32806	6.8
503.33853	100.0
504.34146	9.9
586.93732	1.5
665.39172	5.0
673.21625	8.9
674.11566	1.6
708.40222	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	708.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.4
69.24730	0.8
69.46877	2.3
69.47287	1.5
71.01387	1.2
84.00901	1.7
88.11814	0.7
95.01390	0.8
101.02451	1.7
109.72958	0.7
113.02434	1.2
119.03465	1.0
125.02446	1.1
142.06616	0.9
161.04556	0.8
163.90477	0.7
169.01408	1.2
204.05058	1.3
244.75114	0.7
385.64890	1.0
424.20572	0.8
503.33850	100.0
504.34277	12.2
545.34967	1.3
665.39258	1.4
708.39514	4.8
709.25488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.9
59.25304	1.9
61.98827	10.0
70.92628	2.6
73.77512	2.1
94.59397	2.2
107.95203	2.1
113.02505	2.0
126.90442	5.6
169.01343	3.1
174.73859	2.4
197.45123	2.3
323.78693	2.3
468.89166	2.6
503.33853	100.0
504.34235	13.0
596.49982	2.5
612.94379	2.3
708.39740	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	709.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40729	3.2
57.01613	3.1
59.01384	70.8
69.38932	3.4
71.01389	16.1
71.41630	4.6
73.02942	11.3
75.81589	4.0
79.01894	3.7
85.02955	6.8
88.98804	4.0
89.02454	8.9
96.96011	15.9
101.02445	9.7
103.49367	3.5
107.01398	7.0
111.27345	3.2
113.02460	14.2
119.03428	3.8
123.00869	9.8
124.01704	10.1
125.02456	62.8
127.00512	4.2
158.61914	4.6
168.00650	11.4
168.99957	5.8
169.01433	100.0
170.01773	4.5
201.11293	6.0
209.11867	7.5
211.02472	27.0
241.03413	5.0
247.17198	4.3
271.04510	25.2
286.35355	3.5
300.99701	6.5
302.63412	3.7
313.05798	8.3
336.10556	4.9
483.07629	12.7
485.32886	6.1
487.30545	11.9
503.33969	47.3
504.34232	44.2
589.33807	12.4
605.33160	5.0
607.35376	6.8
649.35565	5.2
666.38416	4.7
673.21436	96.4
674.22083	11.8
709.23889	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	709.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05984	2.2
58.96598	1.7
59.01385	11.2
61.98835	2.3
64.90520	1.8
66.06909	1.8
71.01403	3.0
77.50614	2.2
79.01877	1.8
83.66732	2.4
90.89917	2.4
95.01403	5.8
96.96024	6.7
97.02949	3.1
98.21912	5.5
107.01400	5.0
111.00912	2.3
123.00909	35.1
124.01695	16.8
125.02448	21.2
136.98868	2.1
139.00368	5.3
140.01183	2.3
141.01991	4.0
151.00430	5.8
151.07713	2.0
166.99870	7.7
168.00652	4.3
169.01479	17.0
229.34576	2.3
247.37471	2.2
326.11691	4.1
327.12387	10.9
341.13901	2.4
463.10184	4.0
478.12790	33.3
479.12897	2.8
487.34317	6.6
493.15112	100.0
494.15213	9.4
673.21381	70.7
674.21802	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	709.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	31.7
64.75420	10.0
78.95870	14.8
96.96036	49.3
101.02472	10.0
107.01447	12.1
123.00908	38.7
124.01693	16.1
125.02463	46.2
128.05559	10.7
150.03311	10.4
169.01497	56.4
202.44292	9.6
299.99008	12.3
300.99933	13.0
382.85397	12.6
487.30872	100.0
608.67987	10.8
625.34760	11.1
643.20416	40.9
655.19928	16.7
671.20245	21.9
673.21576	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
61.98831	3.1
69.20902	14.2
82.95422	8.9
89.32093	2.5
96.96018	27.2
98.21898	5.3
107.01371	6.8
113.82813	2.2
120.82450	2.0
123.00890	3.9
123.98840	2.5
124.01691	14.8
125.02473	33.6
146.22110	3.0
151.00331	3.9
168.00726	17.1
169.01450	44.7
171.59474	2.8
208.90324	2.5
211.00624	4.4
211.02504	54.0
212.02992	2.9
230.80414	2.8
232.10443	2.5
258.45459	2.7
271.04614	100.0
272.05002	2.7
283.09787	3.6
311.09296	12.1
313.05740	5.2
326.11633	10.5
331.06659	31.4
341.13721	3.3
671.20013	24.7
673.21252	50.4
674.21930	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	709.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46171	1.8
52.24392	1.4
52.53842	1.5
57.74647	1.4
59.01387	8.5
70.28076	1.6
77.51785	1.5
98.09536	1.4
98.21885	3.9
106.20767	1.4
118.67943	1.8
125.02402	1.5
132.44699	1.5
134.40723	1.4
138.30399	1.4
163.11272	1.7
164.95648	1.3
167.33427	1.6
179.05374	1.6
207.10283	2.6
209.11852	100.0
210.12138	5.1
225.11568	2.1
227.12927	24.1
228.13156	1.8
235.08131	2.4
253.09286	4.9
390.67212	1.6
434.98712	1.6
445.20761	6.3
487.34302	17.3
637.31775	2.0
643.34167	1.7
709.31995	19.6
710.33252	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	709.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42377	1.2
56.56968	1.3
57.11993	1.2
59.01378	4.5
61.98822	4.3
64.75927	1.2
68.95565	1.4
83.05038	2.6
94.10992	1.3
98.21865	2.7
130.78223	1.4
150.59532	1.5
163.11359	1.5
209.11856	100.0
210.12196	2.9
227.12892	27.9
235.08121	1.9
253.09355	8.1
321.86707	1.5
385.84003	1.5
415.99759	1.5
440.73090	1.6
445.20755	4.7
487.34634	3.6
709.32269	16.8
710.32898	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	709.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54601	0.8
59.01383	9.3
61.98824	3.0
69.03432	1.3
70.50305	1.2
71.01385	13.6
73.30378	0.9
80.02695	1.4
81.03483	1.9
83.01371	1.0
83.05024	1.5
85.02968	0.9
87.00845	1.2
89.02431	4.5
91.03977	1.2
95.17784	0.8
97.02933	3.0
99.00874	1.9
100.80046	0.8
101.02439	4.8
109.06597	14.4
110.03697	1.2
113.02436	3.9
113.97466	1.0
119.03559	1.1
125.02406	1.1
125.09666	1.0
135.08116	2.0
145.05086	1.1
154.84677	0.9
161.04543	2.1
162.64272	0.8
163.11307	8.5
171.10233	1.7
181.12389	3.0
183.13913	13.3
185.11845	1.0
189.09166	1.4
193.12372	2.2
199.09807	1.9
207.10294	45.4
208.10580	2.5
209.11806	9.3
211.13419	100.0
212.13770	4.7
225.11343	27.8
227.12888	2.4
235.08261	4.8
253.09280	11.3
338.55072	0.9
339.23154	1.7
343.79880	0.9
373.23874	2.1
383.22464	2.4
391.24722	2.1
401.23383	4.8
419.24469	3.6
443.19290	3.0
447.22592	1.9
461.20340	10.2
637.32184	7.5
655.33276	12.9
656.34131	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	709.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21634	7.9
57.27672	7.2
59.01377	25.1
61.98819	34.6
71.01377	15.4
72.54211	7.5
89.02457	11.2
101.02474	8.8
116.92876	69.8
165.08282	8.7
165.12912	9.2
171.10265	13.2
183.13892	52.9
197.11879	30.1
199.09761	28.1
207.10446	12.6
209.11826	34.8
211.13434	100.0
225.11285	18.5
227.12927	15.6
235.08194	15.2
253.09352	15.0
293.21240	19.0
296.77133	9.5
447.22089	12.0
655.33209	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58377	4.4
59.01376	20.6
61.98833	28.4
71.01377	11.9
73.02953	5.0
89.02432	6.0
96.35892	4.5
101.02462	8.1
108.29512	4.8
109.06597	12.1
125.02437	6.8
125.91841	4.6
163.82385	5.2
171.10300	10.7
197.11868	15.5
199.09846	5.9
201.11299	11.7
207.10272	39.0
209.11862	100.0
210.12173	8.9
211.13411	70.9
223.13489	27.0
225.11357	46.3
227.12869	15.9
235.08214	11.2
245.75592	5.1
253.09239	25.4
445.20761	6.6
461.20090	13.1
623.31165	7.0
629.31659	9.8
637.32013	13.6
641.31708	11.7
655.33423	15.2
709.32050	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	26.1
61.98831	24.3
70.54167	7.3
71.01382	9.9
78.95910	13.0
81.55521	6.4
82.95428	12.7
85.00447	7.3
86.95857	6.9
98.21897	14.7
116.92897	12.5
152.57816	6.9
161.77844	7.0
168.51660	6.2
171.10309	7.0
183.13989	12.6
197.11871	13.6
199.09766	23.9
207.10258	15.9
209.11797	11.9
211.13431	100.0
225.11378	10.1
235.08240	7.6
293.21167	9.3
375.21957	7.2
383.37405	6.0
422.27240	6.8
447.22458	6.4
655.34161	8.5
685.47827	7.1
709.36523	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	709.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.1
61.98829	0.8
70.38732	1.8
71.01386	3.3
71.05016	3.8
81.65262	0.7
85.02956	0.7
89.02434	2.0
96.96021	1.2
98.55755	0.7
101.02480	0.7
108.53922	0.7
113.02467	1.4
121.06659	0.8
123.08177	0.9
125.02473	1.0
154.73331	0.7
169.01439	1.2
174.98936	0.7
175.11348	1.3
254.16513	0.8
255.36372	0.7
314.99310	0.8
363.27002	1.6
377.28537	6.3
379.26340	1.1
379.30228	5.9
381.27917	1.7
395.29529	7.8
397.31015	4.3
409.27460	1.3
421.27405	4.3
423.29056	11.1
424.29416	1.3
439.28540	5.8
441.30078	2.0
483.31271	2.5
485.29080	1.2
499.30975	5.0
517.31750	100.0
518.32019	6.0
547.32819	57.2
548.33167	4.5
559.32867	5.6
589.33948	1.5
603.35358	6.2
679.37024	1.3
709.25751	0.9
709.37994	12.5
710.38995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43108	2.5
69.32729	4.7
69.33128	7.5
71.01391	9.6
72.96425	2.5
73.06684	2.6
78.98587	5.0
79.95751	18.8
80.96527	100.0
85.02946	4.6
87.00932	3.2
93.92913	2.4
94.98099	20.1
97.02941	4.1
97.47318	2.7
98.21844	3.7
106.98101	4.1
115.15457	2.5
125.02455	4.1
134.97574	5.8
145.34158	2.6
148.99130	8.3
152.98627	8.5
157.00119	2.6
164.98689	15.6
225.00804	24.6
255.23273	3.5
338.38693	2.8
366.01398	2.9
453.14389	5.2
709.38470	46.8
710.38879	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	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10609	0.3
54.92542	0.3
59.01384	32.2
61.98820	1.0
71.01376	0.6
89.02443	0.5
96.96028	0.4
97.13783	0.3
98.22614	0.9
100.79951	0.3
101.02459	0.8
111.72267	0.3
113.02440	0.7
119.03509	0.3
128.90181	0.8
161.04543	0.5
196.38939	0.3
235.40112	0.3
244.24333	0.3
265.05243	0.3
315.09888	0.3
332.84149	0.3
381.13596	0.5
409.31241	0.4
445.86414	0.3
487.34332	100.0
488.34628	8.1
529.35333	0.8
649.39514	1.1
658.91034	0.3
709.41681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.6
60.01725	0.2
61.98834	1.8
67.80198	0.2
68.07597	0.2
71.01391	0.5
79.74607	0.2
79.95689	0.2
86.29459	0.2
88.98879	0.2
89.02456	0.5
90.22588	0.2
90.80419	0.2
93.91183	0.2
99.02746	0.2
101.02470	0.8
113.02422	0.3
119.03518	0.3
144.37634	0.2
161.04610	0.6
163.11398	0.3
169.01469	0.3
171.10274	0.4
179.05615	0.2
206.57135	0.2
209.11848	12.3
210.12219	0.7
213.31891	0.2
221.06712	0.5
227.12901	3.6
233.67259	0.2
235.08209	0.4
253.09196	1.1
405.28317	0.2
421.31213	0.9
422.31396	0.2
445.20871	0.9
463.22095	0.2
485.32880	0.5
486.32861	0.3
487.34338	100.0
488.34674	10.5
529.35406	0.9
637.32550	0.3
649.39600	4.6
650.40063	0.9
655.33264	0.3
709.31787	2.3
709.40009	0.3
710.32343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42596	0.3
50.79193	0.3
53.48457	0.2
58.00591	0.4
59.01384	35.9
61.98843	2.6
70.13047	0.3
71.01389	1.4
71.05022	0.5
77.13676	0.3
77.34576	0.3
85.02962	0.3
87.96204	0.3
89.02457	0.8
98.21838	0.4
101.02440	1.2
113.02446	0.9
119.03531	0.5
139.93556	0.3
161.04492	0.4
171.10278	0.5
209.11826	1.5
210.12173	0.6
225.11436	0.4
227.12901	0.6
239.30920	0.3
261.81097	0.3
427.32199	0.9
443.35074	0.4
467.31479	1.5
469.33228	8.1
470.33713	0.8
487.34335	100.0
488.34708	8.2
504.34113	1.2
589.34039	0.6
649.39166	1.1
691.21393	0.4
709.41650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.4
59.83240	0.3
61.98825	2.8
69.03458	0.8
71.01388	2.6
73.02945	0.5
83.05028	0.7
85.02939	0.8
87.00889	0.7
89.02467	2.3
96.95981	0.4
98.08448	0.4
101.02446	2.3
109.43887	0.3
113.02441	1.4
116.92873	1.5
119.03470	0.5
141.09210	0.5
143.03531	0.4
145.05055	0.4
153.12862	1.2
161.04572	1.2
169.12361	5.7
179.10756	0.6
179.14517	0.3
195.13934	4.4
196.14534	0.8
197.11841	100.0
198.12177	4.1
209.11777	0.7
211.13562	0.4
223.13387	3.8
228.13448	0.4
235.08231	3.3
238.16544	0.3
253.09302	12.7
256.13214	0.9
275.20193	4.9
293.21246	59.1
294.21573	3.6
326.85403	0.4
340.62042	0.4
433.20847	5.1
433.26288	0.6
434.20874	0.4
473.32880	0.4
529.29987	0.7
672.33270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59119	0.8
53.52430	0.8
55.39093	0.8
57.21344	0.7
59.01391	8.0
61.98795	1.0
69.03458	0.9
71.01389	4.3
77.55595	0.9
78.95905	10.5
83.05019	1.4
85.02952	2.1
89.02460	4.8
96.96992	1.0
97.06582	3.5
98.22802	1.5
101.02464	4.9
101.63119	1.0
113.02480	2.3
127.11261	1.0
131.66313	0.9
135.80554	1.0
151.11317	13.0
152.99646	14.2
161.04579	0.9
163.11407	1.1
169.12360	100.0
170.12720	2.6
171.00671	1.5
171.10294	1.4
195.10229	2.4
201.11371	12.9
209.11852	15.0
210.12257	0.9
213.11330	12.5
227.12929	2.1
228.80101	1.1
233.74225	0.9
253.09315	2.8
253.21487	1.8
255.23340	1.3
277.21771	26.5
278.22150	1.1
278.39343	1.0
289.65356	1.0
305.64795	1.0
381.12961	1.6
431.19168	3.4
449.20193	6.9
455.17001	2.9
473.17990	11.1
474.17871	1.1
504.91382	1.0
691.38239	3.2
709.41418	93.8
710.41772	10.8
735.00641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06574	1.1
57.03432	2.2
59.01376	7.0
59.94196	1.3
64.78310	1.2
67.28549	1.1
71.01389	3.7
73.02937	2.3
78.95906	13.7
83.01383	1.7
83.05026	2.1
85.02930	1.5
87.00848	1.7
95.05034	1.6
97.06614	5.9
98.21907	4.9
101.02437	3.6
104.50118	1.1
109.06578	1.5
109.48789	1.1
113.02461	2.6
113.92690	1.3
118.97334	1.2
127.11269	1.8
133.10265	1.7
149.09657	1.7
150.02440	1.2
151.10132	1.7
151.11298	18.9
152.99599	16.0
169.12350	48.2
170.12788	1.9
171.10304	2.9
195.10187	2.8
201.11359	17.7
209.11844	20.3
213.11285	7.0
227.03392	1.5
235.08310	1.2
253.09331	3.4
255.23296	3.3
277.21722	51.5
278.22049	3.0
290.38821	1.3
333.40933	1.3
431.19354	3.5
449.20285	4.3
455.17059	2.2
461.53052	1.3
473.17880	12.4
488.35690	1.4
513.16650	1.4
691.38428	3.5
709.41345	100.0
710.41504	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	710.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71074	1.7
56.95656	1.7
57.03447	1.8
59.01386	19.9
61.52159	1.6
61.98825	5.6
62.78152	1.7
69.03447	2.5
71.01395	12.1
71.05026	2.2
73.02942	3.1
78.95886	2.3
80.02676	1.8
81.03468	3.1
83.05032	3.7
85.02956	4.2
89.02441	5.7
93.03411	2.3
97.02934	6.5
101.02443	8.7
109.06600	44.8
110.03741	3.0
111.39847	1.6
113.02445	5.0
119.03480	3.0
121.06596	3.7
125.09693	2.1
135.08189	5.4
145.05046	2.0
152.27180	1.8
161.04509	2.5
161.09714	3.1
163.11307	19.6
167.10759	3.1
171.10170	2.7
181.12408	2.9
185.11853	2.9
195.13896	9.4
205.12325	8.8
207.10275	100.0
208.10532	3.8
209.11728	4.1
211.13416	2.1
223.13426	72.7
224.13681	3.1
225.11346	52.4
226.11615	2.0
235.08244	7.5
253.09381	11.1
286.61139	2.5
325.21802	2.0
351.23251	3.8
369.20630	2.7
369.24796	3.0
385.23712	4.2
395.22171	11.4
403.24948	3.4
413.23230	20.4
414.23401	2.7
431.24536	8.9
431.29568	2.2
443.19180	7.1
459.22311	3.7
461.20270	22.1
621.32495	5.2
631.31201	7.8
649.32428	42.7
650.32776	6.5
667.33331	51.2
668.33813	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	710.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	7.4
68.43269	6.5
69.89093	8.1
69.89457	21.1
98.22615	7.4
118.99416	6.5
135.61624	6.1
161.65755	6.2
171.10289	100.0
172.83174	6.0
182.55121	5.7
185.68404	7.0
189.30934	7.0
199.89124	6.3
250.29832	7.3
277.21786	64.9
330.46860	7.8
409.59781	6.7
589.89844	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	710.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75420	10.4
66.67123	11.3
70.36594	25.9
84.74416	11.3
95.42937	12.5
160.10400	10.5
171.10304	77.1
190.29688	10.8
229.04944	13.6
237.65601	12.7
258.51981	12.7
276.90964	12.3
277.21747	100.0
285.92636	11.4
318.27225	11.0
392.88162	11.9
448.21033	12.5
601.59491	14.7
622.52844	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	711.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
62.74520	0.4
65.45828	0.4
67.62276	0.4
70.29620	0.6
70.29932	0.6
71.01386	11.3
72.99320	2.0
76.34675	0.4
89.02451	1.9
98.21874	0.5
104.51868	0.4
105.03503	0.4
107.01427	0.9
107.05007	0.7
113.02433	0.6
113.99529	0.5
115.00383	27.9
116.00785	0.6
123.00901	3.7
124.01686	3.2
125.02482	2.6
133.01443	100.0
134.01802	1.5
134.03754	1.4
135.04539	23.7
136.04887	0.6
139.00378	0.7
140.95912	0.4
141.01886	0.7
142.98825	0.5
151.00398	2.7
154.77660	0.5
168.00693	0.8
169.01419	5.0
177.04042	0.5
179.03511	24.4
219.89622	0.5
259.43820	0.5
260.18454	0.5
295.04556	4.5
313.05432	0.5
355.21503	0.5
415.12488	33.4
416.12750	2.3
690.71210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03447	0.7
59.01384	100.0
60.01711	0.7
71.01385	8.2
73.02955	3.5
76.35300	0.3
80.38541	0.4
83.01406	1.6
85.02960	5.4
87.00898	0.5
94.85979	0.3
95.01408	0.6
99.00937	1.1
101.02446	8.5
101.90533	0.4
113.02457	4.0
125.02522	0.5
134.51500	0.4
159.03044	1.1
161.04565	4.5
174.62712	0.5
267.57147	0.4
269.10318	12.1
270.10831	0.6
311.11404	4.9
312.11752	0.6
327.88666	0.4
478.76434	0.4
480.89767	0.4
518.51062	0.4
554.69824	0.4
602.25641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17238	0.2
61.98831	0.5
64.26901	0.2
70.67057	0.5
89.03972	1.4
91.05557	0.2
93.03443	0.3
94.23635	0.2
95.05045	0.8
105.03468	3.2
106.04264	0.8
107.05030	0.6
109.02979	0.4
111.00889	0.2
117.03474	3.1
119.05032	1.4
121.02995	1.3
123.04573	0.5
132.02190	2.7
133.02974	15.7
134.03757	85.7
135.04578	10.5
136.04926	0.3
137.02464	5.3
139.04028	1.5
145.02925	1.8
146.03740	0.4
147.04527	1.8
148.05312	1.2
149.02376	0.4
149.06100	13.2
150.03275	1.1
150.06430	0.5
159.04515	0.3
160.01674	10.1
161.02469	8.7
161.06070	2.0
162.03178	0.9
175.04025	15.2
176.04367	0.3
177.01866	1.1
178.02731	26.0
179.03516	7.0
191.03513	0.5
193.05075	92.9
194.05399	2.9
203.30765	0.2
205.05083	0.5
207.06624	0.9
223.13367	0.4
237.05614	0.7
237.09116	0.3
238.06390	0.3
247.07881	0.3
249.09241	0.3
263.07047	0.5
264.07855	0.6
265.05130	0.7
265.08594	1.1
266.05728	0.5
267.06628	0.4
275.07300	0.3
277.08670	0.6
280.07492	0.8
281.08255	0.4
282.08795	0.4
283.09830	0.5
285.70248	0.3
291.06586	0.3
292.07468	0.7
293.08289	1.7
294.08987	1.2
295.09796	0.9
307.09692	0.6
308.10373	0.5
309.11353	0.5
310.08398	0.2
311.09308	2.0
325.10825	0.8
326.11624	3.7
327.12152	0.7
341.13986	1.0
397.13638	0.4
459.13699	0.4
469.13379	0.5
470.13370	0.3
471.14557	0.5
472.11713	0.8
473.16287	0.4
484.15225	0.4
485.16000	0.4
487.06949	0.4
487.14020	8.3
488.14224	0.6
501.15771	0.4
502.16373	7.0
503.17014	1.4
517.18707	100.0
518.19086	9.3
711.68018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.2
61.98830	58.0
62.78108	8.0
68.85770	7.2
71.01375	13.7
94.98093	6.5
97.02997	8.3
101.02431	11.4
113.02465	10.0
114.35379	7.6
119.03517	7.5
125.02442	10.7
169.01488	15.6
197.11812	64.2
207.10283	24.9
209.11841	100.0
211.13437	41.6
223.37073	7.1
225.11354	18.0
227.12981	36.7
235.08260	14.3
253.09264	14.6
275.02182	11.5
297.87430	7.2
300.99777	22.9
376.52902	8.1
381.51740	8.8
390.02151	11.4
390.52292	13.7
582.32550	8.6
582.42322	8.5
625.30969	9.8
651.30042	10.7
657.34277	8.9
711.33582	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50632	2.9
59.01370	10.1
61.98833	40.2
70.56107	4.3
71.01385	6.1
75.85908	3.3
83.05057	5.3
146.77448	3.1
161.04514	3.3
169.01498	4.0
197.11839	70.6
198.11913	3.6
207.10304	7.1
209.09822	6.2
209.11819	100.0
210.12164	4.0
211.13409	12.2
225.11383	4.2
227.12906	23.3
235.08144	5.9
238.97285	3.1
253.09390	15.5
269.06369	3.2
275.29230	3.0
297.22324	3.6
300.99789	6.5
352.31900	3.3
433.20544	6.8
445.20688	12.5
469.10721	3.1
607.30908	4.0
621.96460	3.7
625.32300	6.3
669.31171	4.3
711.33655	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08684	0.6
55.01892	0.9
57.03450	1.0
57.47357	0.5
59.01386	100.0
60.01712	0.8
63.34745	0.5
69.48388	1.8
71.01388	8.4
73.02952	4.1
74.11927	0.6
83.01408	1.8
85.02954	4.9
89.02477	1.3
99.00885	1.4
101.02453	10.6
107.51160	0.6
113.02474	4.3
115.76301	0.6
125.02502	0.7
148.22879	0.7
158.28554	0.7
159.03044	0.9
161.04607	4.4
163.04080	1.7
169.01483	1.2
192.08641	0.7
235.11885	20.3
261.76099	0.6
277.12964	8.7
279.05161	0.6
299.60281	0.7
300.99936	1.9
389.21918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98436	1.4
57.03456	2.7
58.73484	1.7
59.01385	100.0
61.72654	1.6
61.84070	1.6
65.79961	1.4
67.97607	1.6
69.03454	1.7
71.01393	39.7
73.02953	19.4
83.01406	6.2
83.56966	1.6
85.02959	20.6
87.00861	2.9
88.98819	3.6
89.02458	16.3
95.01421	6.9
98.22704	3.4
99.00891	2.5
99.04567	1.6
100.62125	1.5
101.02454	18.7
113.02454	24.1
119.03532	4.4
123.00912	2.1
125.02468	4.3
125.06094	2.0
143.03537	4.9
146.25327	1.7
161.04572	4.9
169.01427	3.4
263.16592	3.3
276.25259	1.6
283.17032	3.3
287.31940	1.7
300.99738	2.0
301.18073	5.7
319.19086	4.0
445.29678	5.4
463.30859	7.8
465.28864	2.1
483.29822	6.8
489.31772	7.9
589.33844	6.5
591.35590	2.7
607.34961	86.8
608.35339	12.5
625.35876	37.4
626.36633	3.5
651.37738	3.7
667.37128	16.4
668.37665	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	712.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70951	1.5
57.64515	1.3
57.90788	1.3
59.01387	19.3
61.58764	1.8
61.98837	11.5
64.11423	1.4
68.74207	1.6
69.03468	1.4
71.01390	9.9
73.02929	1.5
81.03474	4.6
83.01403	1.5
83.05036	3.9
85.02961	4.2
87.00892	2.7
89.02455	4.9
91.83777	1.4
95.05051	2.1
97.02947	9.6
97.06609	3.8
98.22736	2.0
99.00845	1.7
101.02424	8.4
107.05026	2.6
109.06598	45.7
110.03709	2.8
113.02456	2.4
121.06586	2.6
125.09729	7.6
135.08148	3.6
145.10231	1.8
155.67032	1.2
159.61720	1.4
161.04565	1.6
161.09706	4.0
163.11284	22.5
163.12523	1.9
171.10272	4.9
176.41670	1.5
179.10805	2.4
181.12349	7.5
185.11847	2.0
187.09758	2.8
189.09164	2.3
207.10275	100.0
208.10666	4.8
209.11829	15.7
210.12143	1.8
211.13362	2.6
219.10326	1.6
223.09708	4.8
223.13284	2.7
225.11336	43.0
226.11711	2.3
235.08253	5.4
237.11270	1.7
253.09291	8.3
263.12854	4.8
300.99994	2.0
314.60587	1.5
327.19589	1.7
371.18497	3.3
371.22607	2.2
387.21811	2.8
389.19437	3.2
397.20270	8.0
415.21109	14.0
423.18759	1.7
433.22293	5.6
443.19235	3.7
461.20270	15.4
477.66855	1.8
597.29407	3.9
607.27808	13.6
608.28058	2.4
623.30627	2.4
625.28589	23.2
626.29077	4.0
633.29211	12.8
651.30267	58.0
652.30603	5.6
669.31201	30.7
670.31348	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	712.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.9
59.12313	0.6
60.27501	0.6
61.98826	1.2
69.10312	1.3
69.10710	3.8
71.01372	2.4
71.05009	0.9
73.02921	0.7
80.02671	1.0
81.03460	1.3
83.01407	0.9
83.05045	4.9
87.00837	1.0
89.02441	2.2
93.03463	0.9
94.05618	0.6
95.04961	0.6
95.30021	0.6
101.02457	3.0
109.06626	0.7
113.02454	1.1
135.08134	0.9
161.04543	1.3
163.11307	2.7
165.12814	1.5
167.10773	1.3
169.81183	0.7
171.10275	1.0
179.14410	1.7
181.12378	0.7
191.10907	0.7
195.13933	3.9
205.12373	4.6
209.11845	100.0
210.12129	3.4
211.13321	0.7
223.13414	43.0
224.13747	1.2
227.12912	15.1
235.08252	2.3
253.09314	7.6
270.59702	0.7
280.65894	0.6
445.20810	2.4
459.22565	2.1
651.33221	1.1
713.37488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81783	1.9
52.40910	2.0
54.83188	1.8
59.01368	9.9
61.98838	10.3
62.27822	2.7
69.03442	2.7
69.10674	7.6
69.11098	6.6
71.01389	7.0
71.04460	2.2
75.87683	2.3
83.05035	6.1
85.02955	2.9
89.02470	3.7
99.00889	2.4
101.02452	6.8
110.76688	2.1
121.29557	2.1
163.11282	4.0
179.14407	3.2
195.13916	9.1
205.12389	11.9
207.10274	6.8
208.10690	3.7
209.11847	88.1
210.12180	6.3
211.13368	7.2
216.04314	2.2
223.13411	100.0
224.13773	3.8
225.11253	5.7
227.12907	18.8
233.18246	2.9
235.08051	4.0
253.09334	6.7
261.14972	3.3
445.20529	2.7
459.22488	17.7
712.34796	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59415	0.3
61.98836	100.0
62.92633	0.3
79.90294	0.3
80.22849	0.4
88.98589	0.4
116.07298	0.3
145.02983	1.3
200.85658	0.3
649.37805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98837	100.0
63.86135	0.3
69.53819	0.9
69.54228	0.6
82.18447	0.3
109.00597	0.3
144.28720	0.3
182.30806	0.3
182.46468	0.3
260.24158	0.3
461.33319	0.3
488.34552	0.4
489.34888	1.0
490.35532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11843	0.2
59.01381	1.0
61.98836	100.0
69.49577	0.4
69.49969	0.4
71.01361	0.2
98.22706	0.2
101.02478	0.2
151.16930	0.2
169.01440	0.2
185.11874	0.3
209.11865	1.7
210.12253	0.9
223.13388	0.3
227.12921	0.4
228.13318	0.3
241.01762	0.2
248.29095	0.2
256.01691	0.2
396.80917	0.2
487.34616	0.3
488.34882	0.9
489.34912	1.0
490.35147	1.0
631.70056	0.2
712.32764	0.4
713.33508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2623
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
58.69306	1.2
59.81306	1.5
61.98853	1.4
70.65561	2.7
105.03457	3.2
108.02185	9.9
119.05074	3.1
121.02927	5.9
123.04523	4.3
124.44435	1.2
125.84473	1.3
132.02180	10.0
133.02979	22.6
134.03766	39.3
135.04543	46.4
137.02419	3.6
141.86626	1.2
145.02826	1.6
146.03693	2.9
147.04518	6.4
148.05316	13.2
149.02415	1.4
149.06088	6.9
151.04039	1.4
153.05708	1.8
159.04515	12.3
160.01683	26.3
160.05322	24.7
161.02467	10.0
161.06013	4.1
166.06351	5.8
168.03212	1.6
173.06056	2.8
174.06821	1.6
175.02501	2.9
175.04028	57.7
175.07591	6.1
176.04311	1.5
177.01979	1.7
178.02728	4.2
179.03517	31.5
181.08720	2.5
193.05077	12.7
204.04274	35.2
207.06639	4.4
219.06590	13.7
220.75133	1.3
341.10370	8.2
342.11041	21.2
343.11877	7.3
355.11932	6.6
356.12396	1.5
357.13486	41.4
471.56729	1.7
505.18469	1.9
519.19006	4.1
537.21442	14.7
593.27539	1.9
713.25958	100.0
714.26056	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	713.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13633	8.9
55.59131	9.1
58.50710	8.0
59.01383	18.7
65.39105	8.1
76.57901	7.9
78.91933	14.4
89.02479	11.5
95.03789	7.6
98.22621	22.3
102.39722	9.2
167.21538	8.5
279.23331	51.9
397.13486	100.0
415.14719	30.5
521.97449	10.9
713.35138	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	713.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99031	1.1
57.03427	1.3
59.01386	20.1
61.98826	4.6
69.03448	1.5
69.13503	4.7
69.13911	3.0
71.01384	3.8
79.63837	1.2
87.00843	1.4
89.02454	2.6
94.29649	1.1
101.02454	3.1
103.72757	1.1
113.02453	1.3
113.17988	1.4
125.09741	4.5
146.47523	1.3
179.14351	2.9
183.13960	6.0
185.11879	1.5
187.09776	2.9
193.12375	2.5
195.13947	6.7
201.11290	2.1
205.12401	6.3
209.11909	2.8
211.13412	100.0
212.13663	3.7
223.13414	74.9
224.13713	3.7
235.08289	5.4
247.21559	1.3
253.09305	9.9
277.21637	1.3
293.21286	3.1
338.23212	1.2
397.13452	2.0
441.21133	1.5
447.22620	7.6
459.22403	10.2
476.41730	1.4
616.56488	1.4
635.34564	2.0
653.35431	3.2
689.27094	1.4
713.37585	3.6
728.81030	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	713.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	54.5
61.98839	9.3
69.05167	21.5
71.01382	30.6
73.02947	5.5
83.01411	3.2
85.02983	5.8
87.00887	4.1
89.02454	25.2
97.29836	2.9
98.21791	4.6
99.92598	3.2
101.02450	17.9
103.01515	6.1
113.02458	11.9
116.92878	22.4
119.01516	2.6
119.03543	7.4
125.02474	9.2
143.03522	3.4
161.04591	4.0
161.23413	3.0
169.04424	2.7
179.05678	4.4
235.08171	9.5
253.09315	4.2
255.23306	77.5
256.23688	4.6
293.21329	3.8
294.75433	3.0
300.99820	3.6
305.08865	6.2
335.55942	3.1
397.13550	100.0
409.44415	3.2
415.14670	29.1
562.71057	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	713.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15651	0.6
52.52779	0.9
55.01873	1.0
57.03448	2.0
59.01383	44.7
61.98809	1.9
62.60355	0.7
63.40701	0.7
70.15547	0.7
71.01382	19.9
73.02931	3.0
80.98692	0.7
81.91335	0.7
83.01395	3.4
85.02952	14.1
85.82920	0.7
87.00872	1.1
89.01946	1.0
89.02453	15.6
95.01395	1.5
98.21879	1.5
101.02444	12.0
107.05036	1.2
113.02464	7.9
119.03480	5.5
125.02435	1.4
125.06112	1.3
135.04565	4.4
143.03571	1.1
159.02931	1.0
161.04561	1.5
169.01407	3.2
273.14877	1.2
275.02066	0.9
283.16934	1.0
301.18011	4.0
319.19150	2.8
336.10269	2.5
336.60611	1.4
357.49811	0.7
427.81851	0.8
455.31668	1.0
473.32425	4.0
491.33722	7.6
635.38214	5.5
653.39075	100.0
654.39594	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	713.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01366	6.6
61.98812	1.6
69.03445	4.4
70.98502	3.0
71.01389	3.4
72.54153	1.6
81.34025	1.6
85.02988	1.8
88.66177	1.7
101.02451	3.8
125.09702	2.4
130.70811	1.6
151.11234	3.9
157.08702	2.6
161.09711	4.7
179.10793	4.0
197.11855	38.4
209.11844	2.1
238.29381	1.6
253.21733	72.4
276.84549	1.7
354.67581	1.6
713.41193	100.0
714.41248	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
68.18983	0.3
71.01378	1.1
74.48929	0.3
83.05025	0.3
85.02974	0.5
85.47807	0.3
88.98804	0.3
89.02443	0.9
101.02435	0.6
113.02457	0.7
116.92867	0.3
123.00954	0.3
125.02454	0.8
145.41525	0.3
169.01447	0.8
225.16081	0.5
265.73419	0.3
451.32889	0.4
471.30899	0.6
515.30420	0.9
607.34845	0.4
609.35583	1.8
627.36951	0.4
653.35931	1.0
677.49762	3.9
678.51196	0.4
713.47467	100.0
714.47821	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	714.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10610	0.8
57.03447	1.2
57.64188	0.9
58.53785	0.8
59.01389	9.0
61.98836	7.8
63.91550	0.8
68.53489	0.8
71.01402	4.6
71.05035	0.8
73.02911	1.3
80.02672	2.9
81.03464	2.4
81.73737	0.8
83.01363	0.9
83.05009	5.1
84.02161	1.5
85.02987	1.3
87.00863	1.2
89.02488	2.2
93.03459	1.5
95.05022	1.5
96.96043	2.7
97.02972	4.0
97.06622	1.0
98.22699	2.0
101.02441	5.5
109.06599	15.3
110.03763	2.0
113.02462	3.5
113.81100	0.9
119.03469	1.1
121.06647	1.0
125.02442	1.2
125.09743	2.5
135.08189	2.9
137.13426	0.9
143.92709	0.9
154.49277	0.8
161.04541	1.8
161.09753	1.2
163.11302	14.2
165.12907	1.9
171.10312	3.4
181.12347	2.9
185.11775	3.2
191.10675	1.2
207.10272	43.7
208.10666	2.0
209.11852	100.0
210.12187	4.9
211.13411	1.0
221.04413	0.8
223.09686	0.9
224.29492	1.0
225.11337	21.2
227.12912	14.0
228.13351	1.4
235.08250	3.6
247.13380	1.1
249.11395	1.3
253.09297	8.3
265.14291	1.4
265.89258	1.0
399.21692	4.6
405.17947	1.3
417.22607	5.0
443.19226	2.1
461.20435	7.5
635.30933	12.2
636.31195	1.1
653.31897	13.8
671.32837	19.7
672.33289	2.4
714.33679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80033	0.7
59.01383	55.8
60.79725	0.7
69.18125	1.9
69.18554	2.4
71.01385	3.2
71.05023	3.1
72.97536	1.6
99.00869	0.9
99.04535	10.2
99.08152	3.5
101.02446	0.7
103.00391	5.7
107.01389	4.5
109.02982	0.7
113.02473	1.1
115.04057	3.4
115.07686	1.7
117.05596	8.6
123.00914	6.4
123.04536	27.7
124.01670	3.0
125.02457	25.6
135.04521	1.1
143.07124	4.8
145.01492	0.8
151.00359	4.0
151.01413	0.7
153.05583	37.5
154.05966	1.2
161.08205	100.0
161.97549	0.7
162.08543	1.6
167.03548	0.6
168.00659	1.9
169.01437	39.4
170.01648	0.7
195.06516	0.7
203.09259	19.0
211.02525	1.2
241.03482	0.8
247.08366	1.1
253.03406	0.9
275.01926	1.7
298.98233	0.8
300.99829	3.2
313.05698	20.9
341.10873	1.0
373.11447	1.3
467.11966	99.4
468.12405	6.0
553.15491	1.5
587.94843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80033	0.7
59.01383	55.8
60.79725	0.7
69.18125	1.9
69.18554	2.4
71.01385	3.2
71.05023	3.1
72.97536	1.6
99.00869	0.9
99.04535	10.2
99.08152	3.5
101.02446	0.7
103.00391	5.7
107.01389	4.5
109.02982	0.7
113.02473	1.1
115.04057	3.4
115.07686	1.7
117.05596	8.6
123.00914	6.4
123.04536	27.7
124.01670	3.0
125.02457	25.6
135.04521	1.1
143.07124	4.8
145.01492	0.8
151.00359	4.0
151.01413	0.7
153.05583	37.5
154.05966	1.2
161.08205	100.0
161.97549	0.7
162.08543	1.6
167.03548	0.6
168.00659	1.9
169.01437	39.4
170.01648	0.7
195.06516	0.7
203.09259	19.0
211.02525	1.2
241.03482	0.8
247.08366	1.1
253.03406	0.9
275.01926	1.7
298.98233	0.8
300.99829	3.2
313.05698	20.9
341.10873	1.0
373.11447	1.3
467.11966	99.4
468.12405	6.0
553.15491	1.5
587.94843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78701	1.0
69.19722	6.7
98.22757	1.5
102.98298	1.0
105.03408	1.1
107.05048	1.6
108.02200	1.5
117.03530	2.2
121.02987	1.1
132.02187	2.4
133.02982	29.6
134.03770	24.3
135.04550	100.0
136.04840	1.3
137.02449	9.4
139.04045	3.2
145.02988	1.2
148.05298	3.1
149.06099	2.2
150.03236	3.4
159.04543	1.2
160.01653	5.0
161.02467	43.6
162.03064	1.5
163.03981	1.2
166.06335	1.8
175.04005	8.1
178.02725	14.5
179.03525	42.4
181.08623	1.3
193.05090	5.1
339.08856	2.9
342.11136	5.1
343.11768	2.4
357.13492	7.5
397.12881	2.5
467.82379	1.1
491.16837	1.3
503.17191	3.9
521.18524	2.4
539.19275	36.4
540.19562	3.1
553.20642	2.2
656.63995	1.0
697.22797	1.8
701.63629	1.1
715.24036	34.9
715.36713	1.8
716.24628	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	715.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00084	1.1
56.33597	1.1
59.01384	14.3
61.98830	5.9
69.17712	1.3
69.18044	8.7
71.01380	6.5
89.02457	4.7
96.96030	5.2
101.02448	1.5
105.03475	3.1
117.03520	1.7
119.03497	3.0
119.05018	3.0
121.02959	9.9
125.02434	1.4
132.02171	3.2
133.02969	16.7
134.03769	21.6
135.04504	6.8
137.02457	2.1
145.02983	5.4
147.04607	6.6
148.05333	2.7
149.02467	3.8
149.06126	10.5
150.03291	2.4
158.03743	1.7
159.04544	1.7
160.01648	5.0
160.05360	2.2
161.02501	7.6
161.06119	3.5
162.03230	2.6
163.03998	3.2
164.04852	2.0
173.06062	1.6
175.04008	6.9
175.07695	2.7
177.01932	1.5
177.05574	1.8
178.02754	6.0
178.06369	1.8
179.03499	6.4
193.05083	14.0
195.06570	6.4
225.05647	1.9
239.07111	2.3
251.07195	2.0
253.05002	2.7
254.05907	3.3
255.06616	2.1
263.07275	1.7
265.08615	1.6
266.05774	2.2
267.06635	4.5
268.07455	1.6
269.08206	5.4
275.07184	2.1
277.08539	1.4
280.07544	2.0
281.08200	5.3
282.09070	6.2
283.09485	2.3
291.06876	3.1
291.10223	1.8
292.07455	3.1
293.08179	10.0
294.08838	4.8
295.09650	3.3
297.07959	2.4
304.07828	2.1
305.08157	4.4
306.09076	3.4
307.09778	4.3
308.10568	5.9
309.07935	2.1
309.11234	9.0
310.08569	2.2
312.10229	2.5
320.10303	2.0
321.11380	4.2
323.09515	3.4
323.12982	7.8
325.10986	3.4
326.11575	2.9
327.12381	2.7
337.10782	4.6
341.10309	2.7
342.11044	3.3
343.11905	9.9
355.11899	4.7
356.12701	38.8
357.13062	4.4
386.13699	1.5
388.44058	1.5
490.16837	2.8
505.18732	100.0
506.19037	6.9
507.20151	12.3
519.20306	20.7
535.19727	12.9
537.21411	3.4
577.18616	2.4
592.21735	2.3
597.63763	1.4
619.22253	1.8
625.24683	21.0
626.25226	1.8
637.24469	45.7
638.24487	3.1
649.24255	9.5
652.23431	2.0
655.25488	6.1
667.25531	41.3
668.26056	2.0
679.25458	40.0
680.25409	3.0
685.26752	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	715.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13136	5.2
59.01396	6.0
60.28313	4.6
61.98840	52.1
69.58875	20.9
85.39897	5.0
88.80683	5.5
96.96049	28.9
125.02440	6.8
134.03773	8.2
135.04556	9.6
137.55087	5.5
147.04549	7.6
149.06131	6.8
151.04031	7.6
157.85008	5.8
180.07919	15.8
193.05095	7.0
195.06618	8.5
223.09741	10.8
267.06674	8.4
283.09854	7.4
313.10779	6.0
325.10825	13.1
339.12445	8.4
340.13028	11.2
356.12631	24.6
371.15091	9.3
383.15057	39.7
505.18735	34.2
507.20407	24.4
519.20142	22.2
535.19586	6.2
537.21088	6.9
568.41516	6.2
603.20746	7.4
607.19727	15.7
610.22156	6.3
619.20001	11.2
621.74261	5.8
622.22595	10.2
625.24597	21.2
637.24670	63.4
638.25031	11.0
649.24249	50.2
655.24976	8.5
661.24603	15.5
667.25513	100.0
668.25739	24.2
679.25580	41.9
680.25671	7.2
697.26294	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	715.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12454	0.9
59.01396	5.4
60.99309	4.6
61.98839	10.1
69.05401	5.3
69.05804	2.3
70.96291	1.2
71.01378	3.4
85.02965	1.4
87.00900	1.7
88.98820	29.9
89.02454	7.4
96.96011	2.9
101.02446	1.2
113.02451	1.5
119.03523	1.4
125.02465	2.4
127.37927	1.2
167.52118	1.2
169.01474	2.9
179.05644	1.3
197.02208	7.3
313.06003	1.3
420.55685	1.3
465.07016	1.5
473.32779	76.6
474.33060	8.1
517.31793	100.0
518.32202	11.4
553.26642	4.0
559.32623	3.4
655.36951	2.8
679.37042	4.5
715.34808	12.7
716.34943	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	715.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.2
61.98828	1.8
71.01371	3.0
75.39452	1.0
83.05025	2.5
85.40698	1.1
88.98798	1.4
89.02499	1.3
93.15359	1.1
97.02921	1.4
98.22649	2.3
101.02481	1.7
103.01519	1.7
119.03400	1.2
125.09715	2.9
136.49561	1.1
163.11275	3.3
171.10254	3.8
185.11757	1.2
187.09692	1.9
207.10283	3.5
209.11841	100.0
210.12239	2.3
211.13362	5.7
223.13289	1.7
225.11246	2.3
227.12874	8.1
253.09297	4.2
262.71960	1.2
343.10159	1.3
445.20480	1.9
574.31714	1.3
637.32562	1.8
715.39117	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69317	1.6
59.01388	4.7
61.98833	4.0
65.29285	1.3
70.35923	1.2
71.01363	2.8
89.02435	2.2
90.01362	1.4
97.02962	1.4
125.09744	5.1
131.24854	1.4
149.38237	1.4
171.10286	3.8
187.09790	3.9
188.87189	1.4
197.11868	1.9
207.10236	1.6
209.11844	100.0
210.07912	1.7
210.12225	5.9
211.13408	2.6
227.12927	6.3
235.08226	6.0
237.19299	1.5
253.09277	6.0
445.20706	3.4
525.76141	1.4
527.41235	1.5
715.38733	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	715.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.0
69.03457	2.6
71.01387	3.6
73.02969	1.4
89.02462	2.4
99.25632	1.3
101.02454	4.1
113.02445	2.3
119.62292	1.6
120.90148	1.4
123.08143	1.5
125.09682	1.7
139.28136	1.7
151.11351	2.1
152.94820	1.6
161.09676	3.6
179.10745	7.3
197.11829	45.2
208.56461	1.5
235.08185	2.0
236.35643	1.4
254.23607	1.6
255.23322	79.7
256.23752	3.3
354.32730	1.6
480.87814	1.5
645.68317	1.9
715.42871	100.0
716.43262	8.5
749.21991	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96495	0.5
59.01385	3.8
61.98838	6.0
67.01898	2.4
69.03455	2.0
69.03805	0.6
69.22910	0.6
69.76321	2.2
71.01393	2.7
79.01897	2.0
81.03468	1.9
82.00587	1.0
83.01390	0.8
85.02979	1.4
87.00890	2.1
87.58817	0.6
88.98859	1.0
89.02458	1.0
95.01399	7.5
97.02960	3.7
101.02478	0.7
105.01939	0.9
107.01403	17.3
111.00887	3.8
113.02475	1.2
119.05022	0.7
120.01268	8.1
121.03059	0.8
121.24044	0.6
123.00903	25.4
123.10461	0.5
124.01688	18.2
125.02462	100.0
126.02827	2.0
127.00392	1.1
136.98814	1.6
137.02435	0.8
138.03253	0.6
139.00375	5.3
140.01166	4.5
141.01952	3.2
145.02957	0.8
147.04556	1.2
149.02454	0.9
151.00385	5.1
153.01953	1.3
161.02469	0.8
163.04028	1.0
165.05612	1.0
166.99889	6.6
168.00652	10.4
169.01445	94.9
170.01802	2.3
173.02451	0.6
175.04024	1.9
177.01955	0.7
187.03964	0.9
193.01462	1.0
203.03554	1.1
207.02985	0.7
211.02531	1.2
219.03049	0.8
237.04079	0.7
249.04073	3.6
295.04611	3.1
313.05734	4.3
367.10629	0.8
376.10382	1.8
378.12051	0.9
394.11447	6.4
395.11713	0.9
412.12527	11.2
413.12820	1.0
453.50388	0.6
465.06885	0.7
537.12671	0.6
546.12537	20.8
547.13043	2.0
564.13623	29.9
565.14008	2.4
594.84680	0.7
625.62677	0.7
715.47101	1.5
716.14752	85.6
717.14996	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	716.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67729	1.1
59.01398	1.2
63.50633	1.3
71.01394	2.7
83.05025	3.9
86.92436	1.1
95.41792	1.0
96.96017	4.4
109.97720	1.0
111.08719	1.1
120.93321	1.1
122.51485	1.0
154.15466	1.2
161.14815	1.2
163.11308	3.0
165.12801	2.6
171.10211	1.6
192.97412	1.0
209.11839	100.0
210.12160	6.3
216.15585	1.1
225.11209	1.7
227.12996	12.2
235.08273	2.2
253.09308	6.7
340.97357	1.1
445.20871	1.7
531.70233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36986	0.1
59.01392	0.4
61.98837	100.0
62.08232	0.1
67.07240	0.1
70.00416	0.1
70.47934	0.3
71.01395	0.8
84.95303	0.1
85.02981	0.2
85.23092	0.1
99.51743	0.2
101.02475	0.2
119.88139	0.1
125.09742	0.2
151.70958	0.1
160.47891	0.1
163.11281	0.2
163.89624	0.1
171.10275	1.5
172.10609	0.7
186.47206	0.2
199.13365	0.2
207.10289	0.8
209.11864	0.8
211.13437	1.1
212.13763	0.1
221.14073	0.1
223.85970	0.1
225.11388	0.5
227.12962	0.3
253.09258	0.3
263.29013	0.1
290.18411	0.2
307.19183	0.2
309.75708	0.1
315.98541	0.2
461.20535	0.2
637.32141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96070	0.1
59.01391	0.3
61.98835	100.0
62.98542	0.1
63.42789	0.2
67.44598	0.1
70.61656	0.2
71.01393	0.2
90.81887	0.1
97.32708	0.2
255.23218	0.2
291.44794	0.2
362.49963	0.2
648.51093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87251	0.6
59.01374	2.4
61.98835	23.2
65.29942	0.5
69.44378	2.9
71.01397	2.6
73.02963	0.7
78.95905	0.6
84.25135	0.6
87.00864	0.7
89.02458	1.4
100.13796	0.5
101.02473	0.9
113.02429	0.8
142.49365	0.6
145.05078	0.7
161.04491	0.6
171.10216	1.8
183.13904	5.6
187.09897	0.6
193.12410	1.3
197.11870	0.8
199.09761	0.9
207.10234	0.8
209.11815	3.9
210.12196	1.8
211.13422	100.0
212.13791	2.2
225.11267	0.7
227.12921	1.0
235.08238	2.0
253.09247	3.3
327.21295	0.7
387.25180	0.7
429.21271	2.3
447.22375	11.5
461.20352	0.7
528.52814	0.6
546.34180	0.6
623.34595	2.4
641.35382	2.1
716.39215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32129	0.7
57.03437	0.8
58.00600	1.2
59.01383	100.0
61.98833	1.0
69.19159	1.6
69.19563	2.8
71.01386	60.2
72.01719	0.7
72.99306	1.7
85.02962	6.4
89.02451	78.5
93.03439	4.0
101.02450	5.6
107.01408	0.7
113.02456	8.8
116.32938	0.8
119.03537	1.5
121.02956	7.1
122.03752	13.4
123.04596	1.0
124.01672	1.0
125.02503	1.5
131.03511	9.4
131.04335	0.9
132.02258	0.9
133.03073	1.2
134.03761	1.0
136.01685	1.4
149.02464	30.5
149.04497	12.1
149.05659	0.8
150.03238	86.5
151.03708	2.9
160.01704	2.4
162.03259	0.7
164.04785	5.2
165.05576	81.2
166.05943	3.6
169.01530	2.0
179.07169	0.9
180.04332	5.0
195.06635	63.1
196.07076	2.4
242.09584	2.5
257.11984	1.6
270.08978	3.2
282.09003	1.2
285.11407	2.8
295.09851	0.8
297.07642	1.2
298.08514	3.1
306.15015	0.7
310.08566	1.8
311.09393	2.2
313.10880	4.3
324.10300	2.0
325.10828	4.0
325.14355	1.0
326.08081	4.0
326.11758	2.6
327.08786	0.9
339.12689	1.1
340.13297	2.2
341.10300	31.5
342.10785	3.6
356.12659	13.5
357.13412	2.3
371.15018	72.6
372.15396	5.1
419.80557	0.7
504.18378	1.2
519.20258	41.9
520.20490	5.5
537.21088	1.3
585.23486	1.1
657.37451	0.8
669.25519	3.8
717.16547	1.3
717.27258	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	717.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05526	0.8
55.01865	1.3
57.03465	1.0
59.01384	100.0
60.01716	0.9
61.98824	3.9
63.71123	0.7
66.79145	0.8
69.90877	2.3
69.91227	1.4
71.01387	49.2
72.99309	2.5
83.01381	1.1
85.02962	10.4
87.00885	2.4
87.42432	0.8
89.02452	72.1
93.03429	1.4
95.01385	2.8
101.02449	30.3
107.01365	0.9
113.02461	19.7
119.03513	34.4
121.02966	5.0
122.03773	5.6
125.02441	1.7
131.03503	2.9
135.04507	1.0
143.03484	5.2
145.03033	0.9
149.02480	17.1
149.04564	3.0
150.03247	28.7
161.04573	4.7
162.03223	3.0
164.04820	2.8
165.05580	22.1
165.06870	1.8
169.01369	1.0
177.05524	2.7
179.05620	13.7
180.04297	1.9
195.06624	13.8
221.04753	0.9
224.05006	0.9
259.83633	0.8
266.05722	1.1
269.08450	1.1
283.03683	0.9
283.09781	5.4
299.08969	1.2
310.12088	1.2
311.09268	15.7
325.10788	1.4
326.11624	10.9
329.14023	2.7
341.13937	16.6
342.14194	1.6
474.16595	1.3
489.19150	26.4
490.19397	2.1
537.21283	1.7
717.27844	9.0
718.28137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03443	0.7
58.00610	0.6
59.01384	59.3
60.81483	0.6
61.98840	2.8
71.01389	40.1
71.54876	0.6
72.99298	1.1
85.02950	3.4
85.62144	0.7
86.06725	0.6
89.02453	51.5
93.03482	2.8
95.01409	0.8
96.96038	3.2
98.21957	1.6
99.62106	0.6
101.02451	4.0
107.01398	1.0
111.00932	0.6
113.02464	5.0
119.03502	0.7
121.02969	6.0
122.03748	15.9
123.00906	1.7
123.04545	1.1
124.01688	1.3
125.02482	4.4
126.45527	0.7
131.03511	5.6
131.08257	0.7
132.02177	1.2
133.02965	1.1
134.03769	0.9
136.01723	1.2
141.74625	0.7
149.02469	21.7
149.04536	10.5
150.03238	100.0
151.03629	1.8
160.01668	1.9
162.03249	2.8
164.04799	4.7
165.05582	85.4
166.05951	2.6
168.00674	0.9
169.01440	4.5
176.01094	1.0
177.05539	3.1
180.04286	5.9
190.02736	1.5
190.06406	0.8
190.41872	0.7
191.03532	1.7
195.06645	59.7
196.06970	1.4
205.05115	0.9
211.90469	0.7
242.09523	2.1
257.11835	1.6
270.08920	3.3
282.08737	1.2
285.11203	2.9
298.08548	4.3
310.08456	1.6
311.09167	2.4
313.05621	1.5
313.10794	3.9
324.09940	1.3
325.10745	2.2
326.07880	2.9
326.11591	2.4
340.13037	1.3
341.10309	27.5
342.10495	1.4
356.08340	0.9
356.12689	11.6
357.13052	1.1
359.14636	0.6
371.15015	54.6
372.15579	3.1
519.11395	6.0
519.20270	4.7
520.11615	1.1
534.49432	0.7
537.20978	1.7
669.25531	3.8
717.24677	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	717.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.00594	1.4
59.01385	100.0
61.98833	2.0
69.05996	6.8
71.01389	45.8
72.99314	2.2
85.02955	7.6
86.24874	1.2
87.00893	2.2
88.08078	1.0
88.98821	1.3
89.02456	71.2
93.03468	2.2
95.01398	5.2
101.02460	29.2
113.02456	20.1
119.03517	32.0
120.01286	3.2
121.02969	5.1
122.03748	10.7
124.01620	1.0
125.02444	5.2
129.10641	0.8
131.03549	4.8
133.02876	1.3
143.03531	6.6
149.02467	13.2
149.04556	2.8
150.03242	66.3
151.03566	1.8
161.04596	4.8
164.04846	2.3
165.05588	54.8
169.01424	4.9
179.05635	14.3
180.04303	3.8
195.06645	32.7
196.06998	1.2
255.10281	2.4
283.09766	5.5
295.09808	1.1
311.09335	15.6
312.09686	1.9
325.10770	1.5
326.11642	13.5
341.10004	1.9
341.13977	24.4
489.19293	9.8
490.19318	1.2
507.20309	1.4
547.12042	1.0
657.42413	1.2
669.24805	2.0
717.15924	1.6
717.27228	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	717.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.6
61.98831	5.2
71.01392	12.9
71.05042	1.4
73.02981	1.2
80.02710	2.2
81.03459	3.5
83.05051	5.5
85.02958	1.7
85.74854	1.2
87.00898	2.2
89.02464	3.9
95.05054	1.5
96.96017	3.5
97.02969	3.5
98.22721	1.6
99.00889	2.2
101.02439	6.6
109.06600	18.0
113.02443	2.6
125.02454	2.9
125.09753	1.4
135.08206	2.6
161.04546	2.1
161.09715	1.6
163.11302	16.8
165.12767	2.6
169.01454	2.5
171.10297	8.7
177.18298	1.1
181.12340	3.2
185.11815	2.5
189.09241	1.8
191.10754	1.5
197.11864	2.6
201.11406	2.6
207.10283	46.5
208.10657	2.3
209.11853	100.0
210.12148	16.2
211.13348	1.6
221.11781	1.7
225.11354	25.5
227.12926	15.8
228.13101	1.7
235.08308	3.3
239.69919	1.1
247.02151	1.1
253.09224	9.3
273.17078	1.4
275.01996	2.2
300.99945	2.7
316.73456	1.2
371.95505	1.2
376.02521	2.4
390.02487	2.3
399.21771	4.6
403.02341	1.4
417.22928	4.2
443.19080	1.5
445.20877	1.5
461.20215	7.0
609.29236	1.3
635.30627	7.4
653.31958	7.2
661.54767	1.2
671.32843	14.5
672.33124	1.2
685.30212	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	717.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.60713	1.0
62.30505	0.9
63.46939	1.0
69.03465	1.6
69.44705	3.7
71.01021	1.6
71.01388	22.5
72.99310	1.7
73.02950	32.0
75.00857	1.3
83.01405	8.4
85.02965	3.5
87.00864	1.5
87.80481	1.4
88.98816	4.2
89.02449	14.1
94.49377	1.0
95.01370	1.5
101.02463	28.5
113.02447	11.4
119.03513	6.1
121.02954	2.2
122.03724	2.3
125.02437	3.2
131.03537	2.1
141.01701	4.7
141.37100	1.1
143.03517	3.3
149.02452	4.2
149.04561	6.0
150.03241	18.7
161.04570	12.0
164.04866	1.5
165.05577	12.1
166.06039	1.1
169.01466	2.6
175.84877	1.0
179.03537	1.0
179.05486	1.1
180.04245	1.2
195.06686	5.2
199.68599	1.3
203.05606	1.8
221.06644	3.7
221.65300	1.0
300.99783	1.8
327.12250	1.6
328.02261	1.3
343.13470	1.3
360.26038	1.3
489.19025	1.4
491.19440	5.1
503.19409	5.0
517.31726	2.4
651.24384	3.8
669.25684	8.0
670.25647	1.5
717.27661	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	717.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27378	1.5
59.01389	5.5
61.98838	32.2
64.81077	1.4
69.87456	4.8
71.01376	3.2
75.00837	1.6
78.91866	2.7
80.22243	1.7
83.05038	4.9
89.02441	3.0
96.49900	1.5
101.02458	3.2
103.86817	1.8
113.02444	2.4
122.18358	1.5
163.11325	3.5
165.12820	2.3
171.10289	3.2
183.13927	3.9
207.10287	2.7
209.11845	72.8
210.12228	3.2
211.13425	100.0
212.13840	3.7
225.11221	1.9
227.13025	9.5
235.08177	4.1
253.09258	8.1
271.15482	5.2
361.31052	1.6
432.17407	1.9
447.22455	6.5
485.51120	1.7
543.81671	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	717.443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24636	2.2
59.01363	7.6
59.02003	2.2
61.13277	2.0
61.98806	2.3
66.71696	2.0
71.01382	4.6
71.05030	2.2
76.15931	1.9
87.32150	2.4
95.04938	2.1
95.25014	2.1
97.21288	2.2
98.21899	5.3
99.00880	9.6
100.55071	2.2
124.09677	2.4
125.09702	6.0
140.88469	2.2
163.11269	6.0
171.10196	2.9
181.12326	8.2
190.03410	2.5
199.13387	9.1
207.10266	18.7
225.11336	30.4
235.08310	2.2
236.57687	1.9
243.12288	5.1
253.09241	3.7
255.23302	67.5
256.23703	3.0
529.27527	2.8
537.89648	2.5
699.42999	6.2
717.44305	100.0
718.44897	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	718.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69032	0.1
59.01375	0.2
61.98835	100.0
62.98523	0.1
63.65381	0.1
70.90964	0.1
72.70118	0.1
78.95940	0.1
96.98603	0.1
103.01501	0.1
126.19660	0.1
128.79274	0.1
151.81996	0.1
152.99719	0.1
164.97234	0.1
209.11868	0.3
211.13525	0.2
217.27841	0.1
223.19899	0.1
227.13071	0.1
273.17130	0.1
345.65454	0.1
574.99854	0.1
718.39923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.56011	0.2
71.43765	0.2
78.95889	0.2
86.93927	0.2
96.97522	0.2
115.42087	0.2
152.33740	0.2
209.11877	0.5
211.13513	0.6
271.69376	0.2
273.17303	0.2
275.83636	0.2
365.43619	0.2
718.40131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76124	0.4
54.78106	0.4
59.01383	2.3
61.98835	100.0
70.24408	0.4
71.01394	1.4
73.02974	0.5
81.03473	0.5
83.01408	0.4
83.05058	0.6
85.02982	0.4
89.02448	0.9
89.90905	0.4
97.02978	0.4
99.00915	0.4
101.02454	1.0
102.44637	0.4
107.01417	0.5
109.06606	0.6
113.02540	0.4
123.00959	0.5
125.02482	0.9
145.45670	0.4
159.69768	0.4
163.11386	0.9
169.01448	0.7
169.12357	1.1
171.10280	6.3
172.10649	1.5
178.89778	0.4
197.11842	15.6
199.13510	0.6
207.10338	1.5
208.10692	0.5
209.11838	15.9
210.12238	1.2
211.13474	1.1
211.94714	0.4
213.96165	0.4
221.11813	0.5
225.11336	2.1
227.12892	3.2
229.14494	0.7
235.08333	0.9
251.23877	0.4
253.09354	2.9
255.99852	0.4
273.17130	2.7
300.99808	1.1
310.21133	0.5
327.21805	2.1
328.22067	1.9
390.02490	0.9
390.52893	1.3
433.21118	1.8
445.20743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41991	0.9
55.01887	1.5
57.03448	1.8
57.24538	0.9
59.01384	47.2
61.98831	13.3
69.03461	2.4
71.01385	27.7
72.99323	1.4
73.02951	4.9
74.80426	0.8
81.03473	1.7
83.01389	3.5
85.02966	7.3
87.00904	6.1
89.02454	28.8
95.01387	1.0
95.63906	0.9
97.02956	4.6
98.22678	2.2
99.00912	1.3
101.02453	22.2
109.02927	1.1
113.02460	12.6
119.03513	8.4
125.02470	10.0
127.04012	1.2
133.05099	1.3
139.04027	1.3
143.03511	2.7
158.42479	0.8
161.04608	4.5
179.05640	5.0
217.07132	1.2
221.06567	2.1
235.08217	11.7
245.06560	1.3
253.09315	2.0
266.30084	0.8
277.21741	74.4
278.22073	3.7
278.24854	0.8
287.07724	3.2
305.08826	4.3
323.09531	1.4
397.13519	100.0
398.13882	3.3
415.14575	35.9
416.14734	1.1
514.05328	1.1
675.36169	2.1
728.11359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86717	1.1
55.01892	1.3
59.01384	39.1
61.98835	10.9
63.06745	0.9
69.03464	1.6
71.01392	23.7
71.01788	1.5
72.99319	1.6
73.02962	4.7
74.19512	1.1
81.03464	1.4
83.01400	3.5
85.02960	3.7
87.00907	4.9
89.02452	26.4
95.01410	1.6
97.02960	5.0
98.21819	2.5
99.00885	1.8
101.02455	18.9
113.02467	8.4
119.03503	6.0
125.01667	1.1
125.02465	8.1
131.03487	1.6
133.14815	1.1
143.03499	4.4
149.04590	1.5
161.04596	4.4
171.10213	1.5
179.05626	4.6
209.11862	1.9
235.08257	13.2
251.92998	1.2
253.09299	3.6
263.07510	1.2
277.09567	1.4
277.21750	65.3
278.22293	2.2
287.07828	3.4
305.08762	4.5
397.13541	100.0
398.13763	4.5
415.14584	33.4
675.36224	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	719.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
58.79852	0.7
59.01369	5.1
61.98827	3.5
67.01917	0.9
69.03461	1.1
69.27674	4.2
71.01395	4.3
81.03429	1.3
83.01386	1.9
85.02950	1.9
89.02475	1.1
95.01394	3.2
96.95451	0.8
96.96019	3.4
97.02951	1.5
97.92950	0.9
98.21897	1.6
101.02448	2.3
107.01386	7.2
111.00883	3.8
113.02450	1.1
123.00890	12.9
124.01681	21.6
125.02460	51.6
127.00379	1.6
133.03001	0.9
136.98830	3.0
139.00378	5.8
139.04115	0.8
140.01151	6.4
141.01947	1.1
147.04503	1.0
151.00400	5.9
153.01895	0.9
161.02466	1.0
166.99858	1.2
168.00648	15.3
169.01445	61.1
170.01762	2.0
179.03548	1.1
181.01469	2.4
189.01949	1.3
191.03442	1.2
193.01390	1.1
209.11855	9.7
211.02505	5.4
229.01454	1.8
231.02937	1.4
253.09349	1.2
254.35243	0.9
271.04529	1.6
275.01892	4.1
276.82867	0.9
295.04285	0.9
300.99945	7.8
313.05707	1.4
376.02478	2.4
390.02441	6.8
390.52625	5.0
391.02426	0.9
455.15594	1.3
479.18951	1.0
549.23706	2.1
567.24487	10.8
568.24982	1.5
634.45984	1.0
635.73334	1.0
654.66559	0.9
711.28961	0.9
719.25629	100.0
720.25946	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	719.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53595	0.6
59.01398	3.1
60.20889	0.5
61.98821	1.7
65.00333	0.9
67.01872	0.7
69.03455	1.4
71.01381	2.0
76.99255	0.5
78.01115	1.1
79.01900	0.8
81.03458	0.9
83.01418	0.6
85.02952	1.5
89.02432	1.0
91.25480	0.5
93.52315	0.5
95.01390	1.9
95.96803	0.5
96.96013	0.5
97.02952	2.0
101.02453	2.1
107.01399	12.9
111.00885	2.6
113.02471	0.9
123.00894	12.8
123.04533	0.7
124.01678	13.1
125.02460	60.5
126.02778	1.5
127.00386	0.8
131.48738	0.6
136.98816	1.0
137.02469	1.0
139.00377	3.1
140.01184	4.3
141.01924	1.8
151.00395	8.5
151.04097	0.6
153.01982	0.7
165.01991	0.7
166.99866	1.3
168.00656	9.2
169.01442	70.7
170.01787	2.0
177.04089	2.9
209.04626	0.7
211.02490	6.3
234.82739	0.5
237.03851	0.7
253.03497	0.8
271.04645	6.1
295.04697	0.6
313.05603	2.3
329.05099	3.2
390.02200	1.0
450.67139	0.6
481.06073	2.2
567.24542	12.4
568.24524	1.2
652.08472	0.6
670.97223	0.7
719.25623	100.0
720.25879	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	719.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44377	0.7
59.01377	2.8
61.98822	3.9
67.01930	1.1
69.03448	1.6
71.01378	2.1
81.03458	1.0
85.02969	2.0
91.19688	0.7
95.01386	2.1
96.95997	1.7
97.02950	1.9
101.02479	1.2
101.38880	0.9
107.01397	8.6
111.00893	3.3
113.02426	1.2
123.00893	11.3
124.01680	15.2
125.02460	46.3
127.00417	1.8
136.98796	1.7
139.00385	3.3
140.01198	3.7
141.01938	2.5
150.17485	0.8
151.00410	5.3
152.10371	0.8
165.01910	0.9
167.03508	1.9
168.00635	9.8
169.01433	62.3
169.70479	0.8
170.01825	1.4
175.98134	0.8
177.04024	3.1
181.01546	0.9
211.02472	6.8
223.43979	0.8
271.04596	4.5
311.04135	1.4
313.05566	1.6
481.06540	0.9
549.23627	1.1
567.24750	9.8
568.24396	1.2
719.25623	100.0
720.25861	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	719.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11475	0.5
58.73416	0.7
59.01369	1.7
61.98839	1.3
67.01879	0.7
68.99806	0.9
69.03460	1.5
69.26405	2.2
69.26813	1.0
71.01389	1.5
78.01123	0.6
79.01878	0.8
81.03461	1.4
83.28881	0.6
85.02953	1.5
95.01384	1.8
97.02953	2.5
98.21930	1.1
107.01401	9.3
111.00873	1.9
113.02448	0.8
123.00906	11.0
124.01678	14.4
125.02462	52.8
126.02802	0.8
127.00457	0.7
131.76801	0.6
134.65894	0.6
136.98793	1.8
139.00354	2.5
140.01186	3.7
141.01965	1.9
147.59410	0.6
151.00400	5.6
151.26283	0.6
160.57013	0.6
165.01735	0.7
168.00661	8.5
169.01447	62.3
170.01808	1.5
173.43057	0.6
177.04041	2.3
179.03497	0.9
181.01439	0.7
184.76698	0.6
193.01457	0.6
211.02472	7.2
224.08266	0.6
229.48463	0.7
237.03914	0.7
241.03543	0.6
271.04605	4.6
311.04050	1.0
313.05594	1.5
329.04977	1.3
466.36667	0.7
481.06732	1.2
549.23541	1.5
567.24341	5.0
719.25598	100.0
720.25885	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	719.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48067	1.5
59.01377	3.6
61.98825	5.4
63.47030	1.3
71.01379	3.6
82.00571	1.9
82.95410	1.9
83.01414	1.8
89.02447	1.9
98.02260	1.2
98.21814	2.6
101.02471	2.2
107.01385	6.0
107.36097	1.4
111.00876	7.8
123.00890	11.0
124.01679	34.3
125.02473	30.0
127.00382	4.6
136.98814	6.1
137.02589	1.5
139.00392	12.2
140.01173	15.2
151.00337	3.4
154.99901	1.6
163.04047	1.5
167.03462	1.5
167.99358	2.4
168.00659	32.3
168.99960	2.3
169.01443	44.7
177.04053	6.8
181.01517	1.9
211.02470	14.5
271.04669	14.1
273.14874	1.5
317.13757	1.9
329.05252	3.4
387.18115	3.9
389.19495	3.8
469.45715	1.6
567.24536	51.7
568.24628	4.9
719.25635	100.0
720.25732	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	719.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
56.60757	0.7
57.03436	1.2
59.01383	8.3
61.98830	1.5
69.03470	5.4
71.01382	5.1
71.05013	2.9
73.02938	1.4
76.87064	0.7
81.03463	1.8
83.05022	4.9
84.02180	1.5
85.02954	1.1
87.00812	0.9
89.02441	3.2
95.05041	0.9
97.02995	0.7
97.06589	1.6
101.02451	4.9
109.06645	1.0
110.14722	0.7
113.02474	1.7
123.08173	1.8
123.09032	0.7
125.09727	2.8
130.40550	0.7
135.08171	1.1
136.30856	0.7
142.52199	0.7
146.28043	0.8
151.11336	3.4
153.12889	1.7
161.04573	1.6
161.09721	4.1
163.11285	5.7
165.12817	2.2
171.10234	0.8
179.10789	8.2
197.11842	69.0
198.12128	2.4
209.11841	65.7
210.12123	1.4
213.88351	0.8
223.09795	1.4
227.12794	4.9
241.10873	3.7
253.09241	2.9
285.81900	0.8
320.30707	0.8
400.47464	0.7
461.55014	0.8
477.19751	2.2
687.32355	100.0
688.32623	9.2
719.34985	19.7
720.35059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21293	1.4
58.58755	1.5
59.01378	9.4
61.98837	2.7
67.01882	1.9
69.03457	2.1
69.50597	4.9
71.01396	7.1
73.02953	1.5
77.60925	1.3
79.01895	1.7
81.03463	4.8
83.01398	2.3
83.05027	6.9
84.02155	2.4
85.02939	3.5
87.00883	2.3
89.02438	3.7
95.01386	3.4
95.05011	2.7
96.95990	2.2
97.02960	3.1
98.22594	2.9
101.02458	6.6
107.01416	11.8
111.00893	2.3
113.02462	2.8
123.00877	10.2
124.01691	24.0
125.02463	52.0
125.06113	1.6
126.02785	2.0
136.98763	2.5
139.00414	3.5
140.01146	5.0
147.95168	1.3
151.00359	5.9
153.12918	1.7
161.04544	1.7
163.04002	1.7
163.11293	5.0
165.12862	3.8
166.99855	1.5
168.00662	11.7
169.01454	62.1
169.12341	30.9
171.10280	2.1
177.03958	3.0
179.10706	1.5
181.12383	1.6
195.39644	1.5
197.11855	55.1
200.64099	1.4
209.11847	87.4
210.12177	3.4
211.02509	4.6
227.12888	7.7
235.08200	1.8
253.09300	5.2
271.04504	3.3
275.02066	1.5
300.99756	3.0
329.05099	1.8
331.26303	1.5
342.81357	1.5
390.02283	5.5
390.52594	2.8
549.23230	2.5
567.24591	14.9
568.24811	2.4
604.77100	1.4
687.01715	1.6
687.32428	64.0
688.33136	10.1
719.25391	100.0
719.35474	47.7
720.25250	19.1
720.35773	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	719.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
59.40510	1.3
61.98832	4.0
74.57295	1.5
87.00904	5.0
87.04527	6.5
91.05544	27.6
91.25157	1.7
92.70946	1.3
106.72444	1.6
117.07101	6.2
133.06575	11.8
161.06113	17.5
163.04016	25.0
169.01503	2.7
179.07156	2.5
184.53157	1.5
223.06145	100.0
224.06500	2.2
227.65820	1.6
260.93240	1.4
299.99161	10.9
300.99771	5.4
382.77740	1.7
447.05569	11.8
495.29633	4.9
496.29990	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.0
61.98846	100.0
63.17881	15.3
71.44115	16.2
78.95894	29.4
88.34370	16.2
90.84194	16.0
98.21768	27.5
125.02354	19.1
171.10289	45.8
207.10266	22.5
209.11827	78.4
253.09087	20.4
291.19614	52.6
293.21063	50.7
508.78793	20.0
699.96783	21.8
719.38287	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	719.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03442	0.4
59.01380	3.8
61.98827	1.4
66.78164	0.3
67.86456	0.3
68.22423	0.2
71.01389	2.6
71.05036	0.3
73.02940	0.6
80.02671	1.1
81.03461	1.7
83.01390	2.4
83.05032	4.6
84.02182	1.4
85.02944	1.2
87.00872	0.6
89.02446	1.9
95.01413	0.3
95.05017	0.8
97.02950	0.6
97.06567	0.5
101.02451	2.4
109.06585	0.4
113.02475	1.9
116.84506	0.3
119.03484	0.5
125.02463	0.5
125.06115	0.4
125.09707	2.3
127.11322	0.8
135.08212	0.7
143.03490	0.5
147.11719	0.4
161.04558	1.1
163.11302	4.0
165.12869	2.2
165.90532	0.3
169.01471	0.4
171.10295	2.0
181.12364	1.0
182.13159	0.3
191.10780	3.1
195.44617	0.3
197.15439	0.3
207.10320	0.4
209.11848	100.0
210.12167	4.7
211.13585	0.3
223.13445	1.2
226.12177	0.5
227.12912	11.1
228.13214	0.4
235.08272	3.3
239.12961	0.4
241.14531	1.0
243.15997	0.8
253.09314	12.0
254.09641	0.4
273.17099	85.9
274.17465	4.6
300.99783	0.4
376.02484	0.3
445.20694	1.2
465.28473	2.4
466.29181	0.4
483.29507	0.5
509.25970	1.2
609.61316	0.4
630.73822	0.3
672.32764	0.3
719.25330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81352	0.1
53.94109	0.1
54.42052	0.1
58.08258	0.1
59.01392	0.2
60.47937	0.1
61.98835	100.0
66.23300	0.2
70.75214	0.2
70.75553	0.1
71.01393	0.2
74.73468	0.2
78.95919	0.3
80.96512	0.5
90.06694	0.1
207.10310	0.3
209.11884	0.4
223.13586	0.4
225.11473	0.3
394.91641	0.1
405.76453	0.2
667.33795	0.2
720.29565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98533	0.1
64.78043	0.1
68.61825	0.1
71.71961	0.1
98.21894	0.3
132.86331	0.1
171.65176	0.1
209.11943	0.2
232.19420	0.1
250.87737	0.1
355.44922	0.1
391.75693	0.1
546.47424	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	720.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.34423	1.3
59.01389	43.7
67.82456	1.5
69.03443	1.8
71.01391	27.0
72.99316	1.9
73.02948	5.2
83.01406	3.5
85.02966	6.0
87.00895	5.2
87.34598	1.2
87.85588	1.7
89.02451	26.8
95.01385	1.9
97.02977	4.3
99.00861	1.8
101.02451	21.9
113.02471	10.2
119.03525	7.4
125.02451	8.6
143.03525	2.5
154.96022	1.4
161.04581	4.0
168.67043	1.3
179.05635	4.2
221.06728	1.8
235.08218	10.3
253.09137	2.3
263.37485	1.2
279.23318	85.3
280.23676	6.0
287.07755	3.1
288.80402	1.4
305.08734	1.8
397.13510	100.0
398.13882	4.9
415.14572	29.0
416.15082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07952	0.3
59.01368	1.0
67.93610	0.3
78.43111	0.3
81.03464	3.2
83.05035	9.2
98.22714	0.5
125.07202	0.7
138.14075	0.3
167.87805	0.3
207.15018	0.7
224.17706	1.3
225.13976	0.5
225.16118	8.5
242.18831	0.4
309.21738	0.7
324.26575	0.4
367.27283	0.9
433.31653	0.9
450.34378	1.1
451.32828	4.4
471.31122	1.3
515.30005	1.5
516.30298	0.3
550.43341	0.7
557.31097	0.9
569.18427	0.3
594.02167	0.3
648.58588	0.4
659.48328	1.4
677.49707	100.0
678.49994	11.0
720.50452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03436	2.2
71.01405	0.8
72.99298	2.1
73.02959	2.9
75.01339	0.8
83.01374	2.6
87.00863	0.9
90.22289	0.8
95.01363	0.9
99.00272	1.8
99.00896	26.5
101.02444	5.1
107.01376	0.9
117.01956	11.2
121.02974	25.0
123.00886	2.0
124.01669	3.2
125.02513	6.0
145.01457	100.0
146.01729	0.9
151.00375	0.8
168.00664	1.3
169.01445	6.0
189.01952	1.1
225.78778	0.9
249.04030	2.1
254.96205	0.9
264.97574	1.0
267.05124	24.5
275.01944	1.1
300.99890	2.0
313.05643	1.4
450.94229	0.8
453.10440	14.5
454.10663	1.6
536.36957	0.9
721.20361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.4
62.33625	1.9
63.02440	2.3
64.85726	2.1
65.00341	3.4
67.59846	2.0
70.90633	2.7
83.01385	4.0
107.01426	2.7
109.03020	4.1
121.03001	3.4
123.00928	3.6
125.02463	41.8
125.06676	2.2
137.02470	6.0
139.03957	3.6
139.80292	1.9
147.00826	4.1
151.00392	17.3
152.01176	4.6
153.01988	7.0
165.01910	9.9
167.03484	4.6
169.01445	3.9
175.00386	18.3
178.99904	13.9
181.01331	2.3
191.03459	10.1
193.01437	100.0
194.01772	2.0
195.34972	2.1
215.03609	5.6
233.04666	2.5
257.04633	4.3
301.00235	3.7
301.03568	17.6
307.47025	2.2
319.04510	13.9
721.19965	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	721.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	6.3
60.07761	1.1
61.98803	1.4
67.01893	1.2
71.01382	2.8
73.65803	1.1
79.01886	2.4
82.00578	1.3
85.02942	1.3
87.22605	1.1
89.02460	1.8
95.01385	4.7
96.95999	5.4
97.02921	2.0
101.02477	2.9
107.01382	7.7
109.02891	1.5
110.94605	1.2
111.00881	5.0
113.02451	2.4
121.02980	2.1
123.00898	27.9
124.01691	16.6
125.02461	30.7
126.94065	1.3
127.00393	2.1
135.04515	1.3
136.01582	1.8
136.98799	2.4
139.00343	5.4
139.04118	1.4
139.64119	1.4
140.01178	6.0
141.01952	3.7
149.02629	1.2
151.00371	9.9
166.06337	8.6
166.99902	6.9
167.07106	1.8
168.00655	11.2
169.01442	38.4
181.08684	3.2
182.02164	1.4
183.02951	3.9
195.06638	1.8
211.02443	4.8
255.06654	1.9
271.04501	2.5
271.09885	1.8
285.06256	2.1
313.05597	1.4
317.06580	2.7
318.07370	4.1
319.71317	1.5
332.05502	1.6
332.09116	14.1
333.09845	6.8
349.48233	1.4
374.10037	1.6
387.09338	3.5
389.12375	4.7
471.31192	6.8
472.31378	4.5
515.30017	13.7
516.30402	10.0
557.31183	2.8
558.31293	3.4
569.18829	83.7
570.18976	5.9
677.34546	1.8
677.49585	4.4
678.35699	3.1
678.50012	3.3
721.19843	100.0
722.20508	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	721.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27155	2.0
59.01371	6.9
59.38914	1.4
67.01893	2.2
69.12411	8.1
69.12820	4.2
71.01386	3.4
73.02960	1.7
79.01915	2.2
81.03468	2.3
83.05009	2.4
89.02445	2.2
95.01404	5.6
96.96013	5.3
101.02456	2.0
107.01393	6.2
110.93257	1.8
111.00866	3.1
113.02513	2.4
121.02948	2.5
123.00084	1.4
123.00912	30.3
124.01707	16.8
125.02470	34.6
131.00642	1.7
136.98863	2.0
138.03255	1.6
139.00398	5.0
139.03979	1.8
140.01132	6.9
140.97354	1.9
141.01895	5.3
151.00410	12.0
151.03970	2.7
166.06361	7.3
166.99878	7.9
168.00635	14.2
169.01454	40.6
181.08705	5.1
183.02966	5.0
211.02499	5.1
221.26807	1.8
225.16119	2.5
255.06778	3.6
271.04532	3.8
271.09775	4.3
285.06131	1.8
301.10776	1.6
313.05484	1.7
318.07504	3.8
332.08969	15.5
333.09750	7.7
374.09964	2.6
387.09064	3.0
389.12296	5.9
407.13370	2.3
430.76602	1.6
430.91257	1.8
471.31143	10.9
472.31442	10.3
510.29193	2.3
515.30011	19.3
516.30542	16.8
553.64990	2.1
557.31213	5.2
558.31586	3.8
562.88635	2.1
569.18774	94.9
570.18915	4.2
645.27203	1.9
677.49438	24.7
678.35706	5.0
678.50317	10.6
704.50311	1.9
705.33887	1.8
721.19873	100.0
722.19769	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	721.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36532	0.5
51.42087	0.6
54.82262	0.5
55.01854	0.6
59.01381	6.7
60.80724	0.7
61.98840	2.6
67.01895	1.2
69.03463	1.7
71.01389	17.1
71.05017	0.8
71.15226	0.6
72.99326	0.7
73.02946	0.9
78.01114	0.6
79.01904	1.7
80.02702	1.0
81.03452	2.1
83.01395	1.4
83.05024	2.0
85.02962	2.1
87.00918	1.1
89.02456	2.1
95.01377	3.1
97.02962	2.8
99.26056	0.6
101.02473	2.7
103.01480	0.8
107.01399	11.3
109.06589	0.9
111.00865	1.6
113.02448	1.5
115.04021	2.5
123.00898	13.5
124.00854	0.9
124.01688	13.8
125.02461	50.9
125.09744	1.1
126.02792	1.4
136.98781	1.5
137.02483	0.8
139.00366	3.2
140.01201	2.9
141.01939	2.2
143.03436	0.7
145.03000	0.5
151.00377	8.8
153.01926	0.8
161.04564	0.7
163.03951	0.8
163.11307	2.1
165.05603	0.7
167.03455	0.9
168.00639	6.7
169.01442	55.6
170.01761	1.4
171.10364	2.7
175.04134	0.9
179.03511	0.8
181.01454	0.9
181.12387	1.2
191.10672	0.8
193.01462	0.7
195.05458	0.5
197.11801	0.6
207.10280	3.0
209.04584	0.6
209.11850	30.0
210.12193	11.0
211.02519	6.4
211.12396	3.1
225.11313	3.7
227.12973	3.1
228.13184	1.0
235.02582	0.6
237.03975	1.1
237.14903	0.9
253.09268	2.8
254.09567	1.2
267.87424	0.6
271.04761	3.8
273.17090	14.4
274.17438	8.5
275.17624	2.3
278.72476	0.5
295.04623	2.2
300.99792	0.6
313.05707	3.6
360.11285	1.6
376.38766	0.6
417.22580	0.6
461.19958	1.0
521.86469	0.6
551.21423	6.5
569.22217	4.6
689.33789	1.7
721.23560	100.0
722.23846	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	721.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57775	1.0
55.01862	1.0
59.01383	19.0
61.98837	7.8
64.86429	0.9
67.01871	1.5
69.03442	2.0
70.07313	0.7
71.01388	29.4
73.02926	2.5
80.02669	1.0
81.03483	3.9
83.01375	1.2
83.05027	2.9
84.02153	1.2
85.00420	1.2
85.02953	3.0
87.00891	2.8
89.02441	2.8
95.01395	2.2
95.05093	1.0
97.02945	3.5
97.03518	0.8
97.06597	1.0
98.22724	1.2
99.00890	2.4
101.02460	4.9
103.00402	1.1
103.01492	6.0
107.01401	12.8
109.06611	3.9
111.00906	1.6
113.02457	3.7
115.04010	0.9
119.03477	1.3
123.00898	14.7
124.01694	10.8
125.02460	58.4
135.08224	1.1
136.98868	1.3
137.02446	0.9
139.00366	3.7
140.01152	3.0
141.01935	2.2
143.03545	0.9
146.26317	0.9
151.00392	9.6
161.04518	1.1
163.11287	5.0
165.87457	0.8
166.99899	1.2
167.03500	1.2
168.00610	6.0
169.01440	67.0
170.01712	1.1
171.10306	7.6
181.12335	2.7
185.11806	2.0
197.11827	2.2
199.13448	1.9
201.11337	3.6
204.32698	0.8
207.10269	13.8
209.11839	50.3
210.12230	3.3
211.02487	5.5
225.11343	13.2
226.11725	1.0
227.12933	4.8
243.12471	1.4
253.09343	3.8
271.04700	3.7
295.04608	1.9
300.99973	1.1
313.05728	4.8
461.20401	2.2
535.22717	0.8
551.21191	1.2
552.21710	0.9
569.22449	13.8
671.32886	1.7
689.34198	4.1
721.23560	100.0
722.23834	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	721.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89159	0.5
57.01355	0.6
57.03442	1.1
59.01382	10.8
61.98839	4.6
65.57735	0.5
67.01904	0.7
69.03468	1.7
71.01385	7.9
72.16752	0.5
72.99313	0.7
73.02947	2.8
73.58910	0.5
74.28690	0.5
79.01878	0.6
81.03456	2.0
82.95419	0.7
83.01397	1.3
83.05053	0.9
85.02938	3.4
87.00870	1.5
87.04529	0.8
89.02452	3.0
91.50239	0.5
95.01399	2.9
96.96007	1.3
97.02946	1.4
99.00878	0.7
101.02454	5.3
107.01402	9.2
110.00108	0.8
111.00892	2.2
111.70704	0.6
113.02444	3.5
116.92862	1.7
119.03502	1.3
123.00903	13.7
124.01682	12.1
125.02461	42.7
126.02825	1.3
127.00385	0.6
135.04544	0.9
136.98795	1.4
137.02625	0.5
139.00391	4.0
140.01196	3.7
141.01921	2.0
151.00392	7.7
151.03998	0.7
161.02480	0.6
161.04585	2.0
163.06145	0.7
163.11238	1.0
168.00670	6.8
169.01436	51.2
169.12277	0.7
170.01747	1.3
170.99564	0.5
171.10298	4.7
175.04141	0.7
179.05598	0.5
187.04076	0.7
195.99529	0.5
197.11842	2.7
203.03360	0.6
205.07164	0.7
207.02974	0.8
207.10231	1.0
209.11861	7.7
210.12260	0.9
211.02486	3.2
225.11333	2.5
227.12914	1.4
229.01375	0.6
237.04095	0.8
253.03525	0.6
253.09210	1.3
271.04523	2.8
275.01941	0.9
295.04724	0.8
301.00018	2.7
313.05554	2.3
322.93829	0.6
392.03101	0.6
407.29529	2.2
497.27521	2.7
551.25079	5.3
569.26099	9.8
570.27008	0.8
575.35626	1.7
631.30432	0.6
685.30688	1.0
689.33569	1.8
703.31372	1.0
721.27112	100.0
722.27472	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	721.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07919	0.7
59.01365	2.1
59.37730	0.7
60.54237	0.7
61.98815	3.5
67.01875	1.1
69.03457	1.9
69.32125	2.6
71.01354	1.9
79.01894	0.9
81.03448	1.1
95.01391	2.6
97.02932	1.7
97.55201	0.8
99.00891	1.1
101.02457	1.3
107.01399	10.3
111.00893	2.3
111.30822	0.8
117.03545	0.8
123.00899	13.8
124.01672	10.8
125.02462	48.3
134.83136	0.7
136.98814	2.3
139.00389	3.7
140.01137	2.6
141.01953	2.0
151.00380	7.3
153.01981	1.1
163.03981	0.9
168.00650	7.5
169.01440	51.4
170.01898	0.8
207.02927	0.8
211.02463	2.2
237.04053	0.9
263.52155	0.9
271.04630	1.5
295.04587	2.1
313.05673	2.6
360.12994	0.8
546.24915	0.9
551.25018	6.4
569.26007	10.5
721.27191	100.0
722.27509	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	721.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28661	0.4
55.01870	0.4
57.03440	0.5
58.94471	0.4
59.01385	3.7
61.98829	2.3
67.01886	1.4
69.03448	1.4
69.56523	1.7
71.01382	3.7
72.99292	0.5
73.02944	1.0
78.94289	0.3
79.01872	1.6
81.03448	1.1
82.00591	0.7
83.01385	0.8
83.05029	0.5
85.02948	1.4
87.00869	0.5
87.04565	0.4
89.02460	0.9
95.01400	2.1
97.02958	2.1
99.00919	0.4
101.02477	2.2
102.27621	0.4
107.00725	0.7
107.01395	8.9
109.02951	0.5
111.00894	2.0
113.02450	1.1
121.02917	0.4
123.00898	12.3
124.01678	13.4
125.02455	40.3
126.02793	0.9
127.00348	0.5
135.04491	0.4
136.98796	1.5
137.02469	0.4
139.00383	2.8
139.03960	0.6
140.01169	2.8
141.01938	1.6
145.02998	0.4
149.02473	0.4
151.00385	6.1
153.01927	0.8
163.03970	0.7
163.11208	0.4
166.99884	0.7
167.99342	0.6
168.00644	6.7
169.01436	47.1
169.12303	0.6
170.01750	1.3
171.10271	3.0
175.03983	0.6
179.03513	0.6
191.03484	0.7
193.01466	0.4
193.05084	0.6
197.11816	1.5
207.03035	0.6
207.10048	0.5
209.11850	5.1
210.12144	0.8
211.02454	4.9
225.11308	1.1
227.12920	0.7
237.04079	0.8
244.03743	0.5
271.04660	2.1
275.02097	0.6
287.45810	0.4
295.04599	0.6
300.99719	0.9
313.05774	2.3
497.27747	1.2
499.30505	0.6
551.24860	4.3
552.25354	0.7
569.26031	9.9
631.30115	0.6
680.33954	0.5
689.32977	1.4
721.27081	100.0
722.27502	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	721.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09940	3.1
59.01386	21.3
60.38139	3.6
61.98835	58.6
69.13723	21.7
71.01373	16.8
75.00879	4.8
78.98591	3.9
79.95728	9.3
80.96528	63.6
85.02955	8.5
89.02449	5.7
94.98077	13.0
96.96065	4.0
97.02940	3.5
98.21782	6.1
101.02440	3.5
102.99590	3.3
103.01519	4.4
119.47062	3.0
121.11423	3.5
125.02468	6.8
126.42776	2.9
130.06590	3.2
136.07932	3.3
148.99142	6.8
152.98624	4.1
163.11325	4.5
164.98697	6.7
171.10248	12.4
197.11813	5.6
209.11868	100.0
210.12189	8.5
211.13460	5.3
221.11844	15.6
225.00775	18.9
227.12961	18.5
227.15268	2.9
235.08189	5.9
239.12883	20.8
247.83665	4.1
253.09236	11.1
273.17050	10.3
274.17413	7.6
445.20718	5.5
588.23749	4.2
646.22906	3.8
703.35284	4.0
721.31287	87.8
722.31451	11.5
742.19501	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	721.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	2.3
59.01385	17.5
61.98833	87.9
69.03460	3.3
71.01385	27.4
73.02972	2.9
78.95915	3.0
80.02711	1.9
80.96515	2.7
81.03468	2.7
83.05039	3.8
85.02946	4.7
87.00887	2.7
89.02456	5.2
97.02961	4.4
98.21847	2.9
99.25237	1.7
101.02464	10.6
102.95910	2.0
109.06609	32.5
113.02488	4.6
121.06588	2.4
123.00864	2.3
125.02469	7.4
125.09719	1.7
135.08173	4.8
136.05353	1.7
161.04604	4.6
163.11296	23.6
167.10838	2.2
169.01405	7.8
171.10254	5.3
181.12370	4.9
185.11845	3.3
189.09253	2.2
195.13959	7.5
199.09784	3.1
201.11290	2.6
204.05003	1.8
205.12340	7.8
207.10269	100.0
208.10605	4.0
209.11821	16.9
211.13426	2.2
223.13396	84.4
224.13783	4.0
225.11333	70.1
226.11642	3.5
227.12831	2.1
235.08197	4.3
253.09323	21.2
300.99915	2.4
385.23804	2.2
387.21671	2.4
395.22241	4.1
403.24872	2.1
407.91891	1.8
413.23260	11.6
431.24176	8.5
443.19238	3.1
461.20291	29.5
649.32391	10.1
667.33124	18.7
668.34314	8.5
721.27972	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	721.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39049	12.4
55.06213	11.7
59.01381	22.6
61.98835	100.0
64.26945	12.3
65.41201	11.6
69.79288	13.3
71.01382	49.2
78.91924	14.1
78.95927	18.6
104.94341	12.0
127.04370	14.2
130.33096	12.8
173.48987	14.6
207.10249	27.4
209.07811	15.4
209.11867	93.6
211.13379	42.2
223.13358	17.7
225.11404	22.6
254.84938	13.5
263.09702	13.9
275.20276	15.3
331.85977	13.9
494.68652	13.7
679.19086	13.8
721.35443	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.8
53.69745	1.6
56.07915	1.6
57.03462	2.3
59.01382	31.6
61.98835	9.6
70.75705	2.9
71.01387	78.3
73.02969	2.9
81.03483	4.0
83.05024	5.1
84.41930	1.8
85.02943	3.7
87.00838	1.9
89.02451	4.6
95.01397	3.0
97.02935	5.2
99.00868	4.7
101.02458	9.3
103.00369	2.0
103.01515	7.4
107.01418	10.3
108.95542	1.6
109.06606	8.7
113.02451	4.1
115.04030	2.5
123.00908	13.2
124.01675	8.8
125.02460	38.6
125.09759	4.5
126.02866	1.8
140.01201	2.0
151.00388	7.5
158.08955	2.1
163.11333	12.5
165.12857	2.7
168.00613	4.7
169.01450	50.7
171.10298	16.5
178.25035	1.6
181.12373	7.7
185.11847	4.1
190.34462	1.6
197.11784	1.9
199.13385	3.8
201.11343	6.4
207.10277	29.5
209.11844	100.0
210.12222	5.8
211.02502	3.6
225.11336	36.6
227.12859	11.9
235.08141	3.1
243.12372	5.6
247.32640	1.6
253.09332	13.0
271.04727	4.2
313.05841	3.1
416.32706	2.0
461.20297	6.7
479.21024	2.3
569.22437	8.8
653.32056	2.4
671.32690	3.8
689.33807	8.7
699.23779	2.2
721.23560	66.9
721.36548	13.6
722.24072	12.3
722.35785	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	721.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
56.34798	0.5
57.03440	1.3
59.01386	9.0
61.98841	4.7
67.01888	0.8
69.03456	2.1
69.30617	2.5
69.31029	1.0
71.01387	8.0
71.05022	2.5
73.02942	1.5
78.01118	1.0
79.01863	0.8
80.02668	0.7
80.96513	0.7
81.03474	3.2
83.01392	1.6
83.05031	3.4
85.02947	2.8
87.00856	2.0
87.04522	1.2
89.02449	4.1
91.32008	0.6
95.01393	4.0
95.05000	1.2
96.95999	1.1
97.02943	5.1
97.06588	3.0
97.88193	0.6
99.00890	15.9
101.02454	4.3
106.65004	0.6
107.01398	10.8
109.02979	0.7
109.06593	1.4
110.03729	1.2
111.00874	2.1
113.02435	2.8
119.03461	1.1
123.00890	14.2
123.08138	1.8
124.01678	14.6
125.02460	48.9
125.09721	5.8
126.02834	1.6
127.02857	0.6
130.32693	0.7
135.00909	0.6
135.08165	1.2
136.98804	1.2
139.00439	3.7
140.01186	3.7
141.01941	2.1
145.04985	0.8
147.04436	0.8
151.00377	6.4
153.02028	0.8
153.12895	1.4
161.04637	0.7
163.04083	0.7
163.11296	10.8
165.12863	1.2
166.99867	1.8
168.00647	7.9
169.01439	52.0
170.01801	2.1
171.10274	4.6
175.04039	1.2
177.48080	0.7
179.03468	0.9
181.12346	15.3
182.12671	0.7
191.10822	1.1
193.01292	0.7
197.11821	1.0
199.13428	8.6
207.10274	22.6
209.04506	1.5
209.11839	32.6
210.12114	1.6
211.02505	4.0
225.11331	33.8
226.11577	1.0
227.12938	3.4
235.08002	0.8
237.04100	1.2
243.12383	18.8
247.02441	0.8
253.09306	2.1
271.04614	2.4
295.04596	1.0
298.13724	0.7
300.99939	1.5
313.05624	2.9
313.09204	0.7
418.55200	0.7
461.20242	1.9
479.21472	6.2
535.25580	0.9
551.25079	4.4
569.26477	9.2
570.26727	1.3
671.32770	2.9
689.33923	99.8
690.34198	6.4
703.09528	1.7
721.26910	100.0
722.27203	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	721.4177
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
57.03464	0.7
59.01385	13.2
61.98830	0.6
63.16751	0.6
63.65623	0.5
70.77346	1.2
71.01389	6.0
77.92917	0.5
80.02676	1.5
81.03468	1.7
82.19673	0.5
83.01419	0.9
83.05007	2.9
85.02958	2.0
89.02464	4.0
91.06098	0.7
93.03534	0.8
95.05051	1.1
97.02965	6.3
99.00874	2.0
101.02448	5.7
107.05029	1.1
109.06602	34.5
110.03730	3.0
111.00925	0.6
113.02465	2.6
119.03490	1.0
121.06612	2.2
135.08246	3.6
135.09123	0.8
136.05310	1.6
142.02760	0.9
145.05174	0.6
146.05432	0.6
161.04552	2.1
161.09731	2.4
163.11302	21.0
163.12686	1.0
165.09258	0.8
179.05592	1.1
181.12303	3.0
189.09210	2.8
199.28676	0.6
207.10283	100.0
208.10533	3.3
209.11855	2.1
210.12149	1.2
225.11345	35.8
226.11664	0.9
235.08282	3.9
253.09312	14.7
255.23299	1.7
256.23511	1.0
277.21753	76.4
278.22058	4.7
299.14954	0.7
409.80798	0.6
423.32755	0.7
441.33783	2.2
443.19232	4.9
461.20419	14.1
462.21069	1.0
467.31473	1.1
485.33606	0.8
494.08392	0.7
703.40375	1.3
721.41754	34.5
722.41779	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	722.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80992	0.6
56.19799	0.6
59.01386	1.6
69.25365	1.6
69.25758	1.7
71.01391	3.1
95.50849	0.7
97.02971	0.6
104.05054	0.7
107.01402	18.3
110.00139	0.6
111.00889	1.9
115.00407	5.5
123.00905	1.1
124.01676	14.4
124.02515	1.1
125.02467	45.0
126.02736	0.7
133.01450	15.7
133.02521	0.9
133.02983	1.6
135.04556	5.2
136.98860	1.2
139.00409	2.2
140.01172	3.2
156.04596	0.8
158.06154	1.3
168.00644	3.3
169.01443	100.0
170.01724	1.4
175.03981	1.9
177.01964	1.3
179.03500	3.5
187.02675	0.8
202.05162	4.2
246.04010	3.3
367.18567	0.7
426.10480	81.9
427.10834	3.9
469.95267	0.9
744.88879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50944	0.2
54.53193	0.3
59.01387	0.8
61.98835	100.0
68.97794	0.2
71.01391	0.7
89.02489	0.3
104.16492	0.3
107.01456	0.3
109.06612	0.4
113.32160	0.2
116.92844	0.3
119.64286	0.2
121.49227	0.2
123.00917	0.3
125.02517	0.5
125.09753	0.3
154.87085	0.3
163.11336	0.5
168.00610	0.3
169.01460	1.0
171.10371	0.3
197.11913	0.9
199.09976	0.3
207.10262	1.6
209.11852	1.3
225.11406	0.9
227.12880	0.3
254.52518	0.2
461.20380	0.4
486.33371	0.3
618.66107	0.3
625.29053	0.5
642.16852	0.2
651.30829	0.6
669.31525	0.4
687.32477	0.5
722.27631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09280	0.5
58.00610	0.9
58.81149	0.6
59.01390	4.6
60.25255	0.5
61.98831	1.9
70.24634	0.6
71.01402	2.6
77.17277	0.6
78.95915	1.4
85.02947	0.7
89.02473	2.0
96.96028	16.8
96.96657	0.8
96.96991	1.8
101.02479	0.8
111.70977	0.6
113.02456	3.6
119.34319	0.6
125.02503	1.3
140.63406	0.6
161.04533	1.6
169.01437	1.3
176.10365	0.6
203.69090	0.6
301.00067	0.8
331.07388	0.7
407.29758	0.8
452.93729	0.7
473.32785	88.8
474.33194	6.3
517.31787	100.0
518.32141	8.9
531.33356	4.2
544.36176	0.6
559.32855	42.4
560.33087	4.9
589.33813	5.7
619.34802	6.1
679.37006	26.7
680.37354	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	723.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42143	2.8
79.54491	2.5
87.00911	2.9
91.05542	3.6
107.05036	13.1
111.00881	2.7
123.00907	4.6
124.01673	5.7
125.02462	58.4
133.06625	7.1
149.06088	17.5
156.05957	2.4
163.08475	2.7
165.50623	2.5
166.08533	2.5
168.00670	6.4
169.01453	67.5
170.01897	2.9
177.05565	16.5
179.03525	25.6
193.01546	3.0
211.02516	21.0
225.20627	2.4
239.05635	100.0
240.06015	3.3
271.04770	12.9
301.00024	3.6
313.05646	10.4
439.09082	5.5
466.39978	2.9
483.07645	87.8
484.08310	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	723.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
62.61870	0.6
65.54832	0.6
69.03438	1.2
71.01392	1.2
71.16024	0.7
71.42263	0.7
72.99319	1.4
81.03470	0.8
87.00863	1.1
89.02438	0.8
91.05540	1.3
95.01393	1.4
97.02941	0.7
101.02463	1.8
107.01402	3.2
107.05015	2.6
111.00877	0.9
113.02459	1.1
121.02929	1.2
123.00906	5.3
124.01668	5.8
125.02459	40.4
133.01457	1.8
133.02972	2.0
133.06601	1.5
135.04529	2.2
137.02460	1.0
139.00360	0.8
140.01170	1.4
149.06090	6.9
151.00362	2.8
151.04079	0.9
151.54877	0.6
161.02419	0.8
163.04001	1.6
165.01923	1.0
166.99838	1.2
167.03563	1.0
168.00656	6.3
169.01440	56.3
170.01796	1.1
177.01897	1.6
177.05580	4.2
179.03494	8.8
181.01451	1.8
182.01912	0.6
183.02989	0.8
193.01457	4.3
201.01886	0.6
211.02495	26.1
223.02547	0.8
229.01428	0.6
235.02565	1.6
237.96335	0.7
239.05626	20.9
239.08046	1.4
240.05904	1.7
241.03595	2.4
247.02628	0.9
248.95047	0.6
253.03456	2.2
267.52158	0.6
271.04602	19.2
272.04898	1.1
273.00314	0.7
275.01917	1.7
299.99075	0.7
301.00012	4.6
302.00372	1.0
303.15811	0.7
313.05692	2.7
331.06763	3.7
423.05713	10.5
439.09048	1.4
483.07840	100.0
484.08136	5.8
545.98041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36243	1.8
52.85069	1.9
54.46392	1.8
54.51793	1.7
60.24683	1.7
61.31813	1.7
63.41190	1.6
87.00880	2.8
98.22614	4.4
100.25658	1.5
103.26435	1.6
107.05042	9.8
121.02998	1.7
123.00893	2.6
124.01672	5.4
125.02458	56.3
133.06596	5.8
149.06119	16.2
165.35477	1.7
168.00620	7.0
169.01450	64.7
177.05615	20.4
179.03497	23.6
187.23244	2.1
193.01476	10.0
195.06631	3.3
211.02536	24.5
228.76590	2.1
239.05624	96.2
240.05913	2.2
271.04599	14.3
292.93518	1.8
313.05759	9.6
331.06662	7.9
439.08853	24.5
450.31589	1.8
483.07733	100.0
484.07971	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.2
67.74590	0.9
69.31243	4.8
71.01382	19.6
71.01744	1.7
83.01353	1.0
85.02949	1.0
89.02450	1.7
95.01384	1.8
101.02465	3.0
106.63317	1.1
107.01395	3.6
113.02455	2.6
115.00391	12.5
119.05037	43.5
123.00893	11.5
124.01672	4.2
125.02467	18.8
128.40968	1.1
133.01431	30.8
135.04504	1.3
139.00368	1.8
140.01167	1.4
148.93520	1.5
151.00372	8.8
151.03989	1.3
163.04021	92.5
164.04332	2.1
168.00685	2.5
169.01431	24.8
198.15764	1.0
201.37990	1.2
211.02316	1.1
229.01620	1.0
256.29367	1.0
271.04593	1.6
279.05005	7.2
291.10895	2.7
300.99936	3.5
308.01709	1.3
313.05685	3.7
377.86819	1.1
443.11954	100.0
444.12247	3.8
723.14203	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	723.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
72.05135	0.6
72.99311	2.2
74.88908	0.6
85.02222	0.7
87.00878	3.3
91.05544	2.4
93.03468	0.8
107.01461	0.7
107.05039	11.0
121.02944	1.4
123.00901	1.7
124.01633	1.1
125.02465	4.1
133.06599	5.2
135.04544	2.0
143.56740	0.7
147.04552	0.8
149.06100	17.4
153.01929	0.9
163.04073	1.3
168.00647	1.7
169.01451	5.9
169.93895	0.8
177.05595	16.9
179.03522	24.9
195.06633	2.5
201.01917	1.1
203.03575	0.9
211.02386	0.7
221.04565	1.4
239.05630	100.0
240.05965	2.7
247.02544	1.1
275.01877	2.3
284.70700	0.8
299.99014	0.8
300.99969	5.8
302.00311	0.9
317.22079	0.8
483.11621	9.3
484.11734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.0
61.87551	11.6
61.98835	100.0
71.01377	25.4
78.95904	25.5
80.91704	15.3
88.46877	12.0
91.14188	12.1
101.02406	13.7
108.92198	12.6
109.06551	17.0
109.29873	12.4
136.07663	17.4
152.99576	17.6
171.10271	16.2
195.10223	12.4
197.11861	33.3
207.10367	60.8
209.11787	37.1
211.13428	54.7
223.13359	43.6
225.11275	33.4
253.09384	14.3
401.23352	20.0
461.20380	13.9
543.27643	15.1
619.31738	15.2
637.32367	41.6
655.33344	56.2
723.33807	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	723.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90644	11.7
51.44849	9.9
52.95216	10.2
59.01389	23.1
61.98833	93.3
68.62801	11.7
71.01390	27.6
72.70641	9.9
77.66760	11.0
81.29004	11.1
85.29887	14.1
86.87760	11.4
87.00895	12.4
92.61226	10.4
98.22626	19.9
106.55621	12.1
120.00671	9.8
135.08141	16.2
151.74939	10.4
168.51271	9.7
171.10269	28.8
197.11871	41.9
209.11864	100.0
210.02057	13.6
211.44244	10.5
223.13171	12.9
225.11386	26.3
253.09200	14.7
277.18045	18.9
553.02710	12.8
730.43256	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	723.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.9
59.01385	100.0
61.46807	1.0
62.96841	1.0
69.36444	4.8
71.01389	10.6
73.02963	3.9
80.64600	0.9
83.01384	1.6
85.02962	4.3
89.02450	4.7
95.01400	3.1
101.02443	6.7
107.01392	1.2
113.02489	5.8
117.03467	0.9
119.03542	1.3
119.05072	6.5
123.00899	7.6
124.01696	2.2
125.02460	9.9
133.02948	1.8
135.04520	1.3
136.01750	1.2
149.04655	1.1
151.00401	2.4
151.03989	2.1
161.04562	4.5
163.04037	10.4
168.00632	1.2
169.01486	13.9
173.02477	1.1
175.04053	1.0
179.05592	1.2
185.09355	1.0
201.01991	1.2
223.26759	1.1
224.95900	1.1
229.01398	1.7
235.11885	1.3
245.00975	2.0
247.11839	4.9
249.04121	1.6
251.88055	1.0
257.00861	1.1
271.04514	1.2
273.00513	1.4
275.01968	4.8
289.12976	5.4
299.99084	2.5
300.99927	9.5
302.00143	1.6
357.13489	2.0
419.12009	2.3
443.12003	9.2
457.02063	1.5
464.11703	1.0
553.11597	1.1
571.13202	3.4
723.13062	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	723.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15821	1.1
57.13158	1.1
58.41430	1.0
59.01384	13.2
61.98838	12.4
66.31422	1.0
71.01385	5.9
71.20403	1.1
72.37844	1.0
73.02943	1.7
78.70449	1.0
80.02699	1.1
82.95419	1.5
83.01407	1.3
83.05035	5.1
85.02987	1.5
87.00910	1.3
88.98834	2.2
89.02466	3.6
90.65791	1.4
95.05008	1.1
96.96023	4.6
101.02451	3.3
113.02473	2.1
118.00499	1.1
119.03576	2.4
123.00928	1.7
124.01699	1.2
125.02449	5.0
125.09706	1.0
125.81929	1.1
143.03526	1.3
161.04552	2.3
163.11287	2.7
164.46692	1.0
165.09087	1.2
166.99863	1.1
169.01448	5.2
169.12355	3.1
171.10268	5.4
179.05637	1.6
199.09778	1.8
201.11322	22.3
209.11844	100.0
210.12190	5.3
225.11403	1.7
227.12863	13.0
235.08228	3.4
253.09395	9.2
275.02066	1.7
277.19144	1.4
301.00018	2.4
363.53729	1.2
427.49884	1.2
445.20697	3.6
501.32434	10.0
721.77814	1.4
723.28625	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	723.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55656	3.4
70.62022	6.5
78.95905	38.1
93.60650	3.3
112.95650	3.7
116.17480	3.3
151.28712	3.8
152.99615	50.5
163.11348	5.2
170.69559	3.8
209.11838	100.0
227.03331	6.0
227.12891	9.7
237.17981	4.2
253.21683	16.9
255.23238	6.1
359.01697	3.9
455.16852	8.1
487.19498	71.1
691.39221	5.8
723.40979	64.4
724.40961	6.2
745.08362	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
57.03444	0.2
57.88539	0.1
58.00631	0.2
59.01383	3.1
71.01019	0.2
71.01389	2.3
71.05013	0.1
73.02951	0.4
80.02676	1.1
81.03456	0.9
83.01383	0.4
83.05031	4.3
84.02163	0.7
85.02946	0.5
87.00871	0.2
89.02457	1.8
93.03468	0.1
95.01383	0.1
95.05050	0.5
97.02936	0.1
97.06543	0.1
99.00919	0.1
101.02457	2.0
109.06587	0.3
111.08176	0.1
113.02460	1.1
113.06157	0.1
119.03500	0.4
125.02501	0.1
125.06087	0.4
125.68404	0.1
127.07655	0.2
133.05052	0.1
135.08168	0.7
141.43300	0.1
143.03487	0.2
147.11827	0.3
161.04556	0.8
163.11296	3.4
164.11726	0.1
165.12862	2.1
179.05573	0.4
181.12369	0.5
188.60890	0.1
191.10765	0.8
209.11839	100.0
210.12173	4.3
211.13284	0.2
225.11342	0.2
227.12898	10.0
228.13222	0.5
233.22797	0.2
235.08255	1.5
253.09293	7.0
254.09740	0.2
259.20596	0.2
275.20279	0.2
277.21732	48.1
278.22061	3.3
445.20883	0.8
463.21512	0.2
564.89374	0.1
594.39996	0.1
594.50037	0.1
723.42828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
59.01385	4.4
65.47537	0.2
71.01381	2.5
73.02946	1.0
80.02669	0.7
81.03458	0.8
83.01389	0.7
83.05040	3.0
84.02148	0.4
85.02950	0.9
87.00876	0.8
89.02463	2.0
89.81030	0.2
91.03466	0.2
95.01421	0.3
95.05039	0.2
97.02996	0.2
98.36590	0.2
101.02457	2.8
102.91949	0.3
113.02450	1.4
119.03519	0.6
129.01949	0.3
134.92151	0.2
135.08203	0.4
145.05106	0.5
161.04562	1.0
163.11301	2.3
165.12863	1.3
179.05724	0.4
191.10767	0.7
209.11848	81.3
210.12169	3.7
210.35304	0.2
227.12914	9.2
228.13109	0.3
233.22697	0.4
235.08234	5.0
253.09309	8.7
254.09778	0.5
259.20737	0.4
262.91843	0.2
275.20090	0.3
277.21753	100.0
278.22095	7.8
383.68713	0.3
445.20993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.6
59.01384	7.7
61.98830	0.8
69.03455	0.5
71.01387	7.0
73.02950	1.1
77.21017	0.5
80.02688	0.9
81.03458	0.6
83.01405	1.0
83.05026	2.8
84.02162	0.4
85.02962	1.3
87.00896	1.5
89.02457	3.8
90.54210	0.5
91.15236	0.4
95.05016	0.6
97.02950	0.7
101.02457	4.7
109.06596	0.6
111.08205	0.6
113.02448	2.0
114.50214	0.4
114.98237	0.5
115.40327	0.5
117.72110	0.4
119.03500	1.2
126.53578	0.5
139.42418	0.4
143.03520	0.8
161.04535	2.7
163.11317	2.1
165.12891	1.3
167.10837	0.5
167.14439	0.5
179.05667	1.3
181.12430	1.0
183.13887	6.4
193.12379	1.5
195.13925	4.4
196.14656	0.7
199.13370	4.8
207.10152	0.6
209.11848	60.2
210.12173	2.1
211.13416	100.0
212.13750	3.2
223.13425	2.9
225.11375	0.6
227.12910	22.4
228.13422	1.1
235.08257	5.4
253.09303	22.4
254.09596	0.7
256.13101	0.5
275.20190	4.3
277.21744	53.9
278.22067	3.2
293.21255	62.2
294.21686	2.8
445.20883	1.2
447.22308	5.6
463.21771	4.7
469.33344	1.1
529.30255	0.6
723.43054	2.2
725.81079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83009	0.8
59.01372	1.5
69.45358	3.6
71.01384	1.1
84.00883	0.9
85.02978	0.9
86.23444	0.8
96.96011	3.7
98.22659	1.6
101.02399	1.2
113.02467	1.1
125.02447	1.5
126.47651	0.8
130.71724	0.8
139.84039	0.9
161.04594	1.3
169.01360	1.7
226.48332	0.9
300.99957	1.9
318.64627	0.9
442.36816	1.0
519.33331	100.0
520.33856	9.3
561.34369	3.8
644.21149	1.0
681.38074	1.4
724.39569	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	725.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70262	0.6
55.60649	0.6
56.71157	0.7
57.02027	0.6
58.57217	0.6
59.01383	10.4
61.98825	1.5
67.01894	2.0
69.03465	2.9
69.13786	4.2
71.01385	4.8
73.02953	1.5
75.00870	0.9
79.01498	0.7
79.01906	2.9
81.03461	2.3
83.01402	0.9
85.02951	1.4
87.00881	0.8
88.98801	1.2
89.02438	1.8
95.01392	7.6
96.96003	1.5
97.02950	3.4
99.00916	0.8
99.67105	0.8
101.02469	2.9
107.01402	19.6
109.02958	0.8
111.00898	3.4
113.02488	1.9
123.00894	27.7
124.01685	19.9
124.02371	0.4
125.02457	91.1
126.02828	1.5
127.00385	1.4
136.38318	0.8
136.98845	2.0
137.02480	0.9
139.00386	5.8
140.01204	4.4
141.01982	3.2
147.04503	0.7
149.02444	0.7
151.00392	7.0
151.04057	1.1
153.01979	1.1
161.02394	1.1
163.04007	1.6
166.99875	7.0
168.00658	13.1
169.01436	100.0
170.01794	2.0
171.10316	1.6
175.04039	1.7
177.01953	1.0
179.03519	0.8
179.05704	0.9
181.01537	0.8
191.03421	0.8
193.05109	0.8
193.68301	0.7
201.11345	1.5
207.03099	0.7
209.11816	3.3
211.02533	1.3
219.02977	1.0
225.11275	1.2
227.12976	1.0
249.03970	3.1
253.03459	0.8
253.09213	0.7
254.04118	0.8
290.80511	0.7
295.04187	0.8
300.99951	1.3
305.96426	0.8
313.05719	1.7
385.09290	2.5
387.10870	1.6
403.10342	9.3
421.11484	19.9
422.11890	1.3
501.32236	0.8
502.32620	3.6
503.33777	15.0
555.04877	0.6
555.11414	27.2
556.11853	2.2
573.12524	46.2
574.12927	4.4
605.37061	0.8
665.36316	0.8
725.13580	93.0
726.13751	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	725.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
69.77396	2.1
71.01394	12.0
72.30249	0.6
72.99294	2.2
85.02957	0.5
87.00893	0.6
89.02447	2.1
101.02481	0.6
107.01411	1.5
107.05034	1.0
113.02480	0.6
115.00385	31.0
123.00893	1.8
124.01672	5.3
125.02470	10.8
133.01443	100.0
134.01778	0.9
134.03758	1.1
135.04535	24.7
145.01323	0.5
151.00417	0.9
167.03581	0.8
168.00650	5.4
169.01437	15.1
169.02811	1.0
177.01904	1.1
179.03506	25.9
211.02489	23.2
212.02869	0.6
271.04611	33.1
272.04868	1.0
295.04703	3.5
301.00006	1.8
331.06686	4.0
364.30634	0.5
429.10400	46.9
430.10767	1.5
714.10370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1938
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01373	3.3
63.02401	0.8
65.00348	0.9
66.61340	0.5
69.45473	2.7
91.05554	1.0
107.01411	2.6
109.32594	0.6
132.02200	0.7
135.00917	1.5
136.01674	1.4
141.64246	0.6
151.00412	3.3
151.04005	1.6
152.04408	0.9
161.06064	1.0
161.98549	0.5
163.00381	1.3
163.04024	1.2
164.01210	0.6
169.01482	1.3
178.99925	1.8
187.04076	1.3
187.11185	0.9
211.04013	2.4
223.06183	4.7
226.49059	0.6
227.03508	41.2
228.03906	1.2
229.05038	2.3
239.03389	0.8
255.02995	78.5
256.03683	7.5
257.04587	2.3
283.02383	1.9
284.03281	100.0
285.03986	23.5
327.05060	0.9
351.05078	0.7
357.13358	1.8
358.13928	1.0
359.13562	0.7
368.18225	0.7
575.14056	1.4
593.15314	0.9
725.19354	79.2
726.19562	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	725.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03470	0.8
59.01382	12.5
61.98832	2.5
67.01895	1.3
69.03446	1.4
69.10432	3.0
69.10851	2.2
71.01388	7.1
73.02950	4.1
73.28364	0.7
74.42305	0.8
75.00888	1.4
79.01897	1.4
81.03465	1.2
83.01408	1.2
85.02957	3.0
87.00887	1.0
89.02487	3.6
95.01401	3.1
96.96017	2.2
97.02946	3.0
98.21701	0.8
99.00882	2.1
101.02468	4.2
107.01396	24.6
111.00897	1.8
113.02464	2.1
123.00892	16.8
124.01691	6.4
125.02458	85.2
126.02798	2.2
136.98764	1.2
137.02502	1.2
139.00391	2.4
140.01186	1.3
141.01921	3.3
144.20377	0.7
145.02963	1.1
151.00374	10.0
151.07663	1.6
159.83723	0.9
161.04593	1.0
162.67004	0.7
166.99832	1.4
168.00656	3.4
169.01437	100.0
170.01764	3.2
171.10234	1.6
182.73846	0.7
201.11349	1.9
209.11880	3.7
211.02527	1.2
219.13995	1.8
241.03641	1.5
253.09236	1.0
263.12924	2.7
279.47064	0.8
283.04675	1.5
300.99887	1.5
387.99048	0.9
403.10275	0.9
421.11581	1.2
439.32468	1.3
485.32843	5.4
502.32452	2.0
503.33908	29.7
555.11517	4.1
573.12512	8.3
573.22009	10.1
574.13342	1.2
574.22137	1.5
613.10364	0.9
659.66101	1.0
665.39105	2.0
725.23199	86.8
726.23816	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	725.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.3
59.01382	2.7
64.49531	0.4
69.28571	2.0
71.01385	3.3
73.02959	0.9
81.07081	0.8
83.05024	0.6
85.02956	1.6
89.02451	0.5
95.05045	1.4
96.96059	0.4
99.08166	38.2
100.08495	0.6
101.02433	1.3
105.03493	0.4
108.07827	0.4
109.06599	1.3
112.88367	0.4
113.02448	1.3
123.04534	76.0
124.04865	1.1
125.02484	0.6
127.07663	50.0
128.07994	1.3
129.05588	35.3
137.98184	0.4
138.03177	0.8
153.05588	42.6
154.05928	0.8
159.03032	0.5
161.04594	3.8
169.01468	0.5
171.06650	9.7
171.08051	0.7
189.07721	2.8
261.77371	0.4
285.09808	13.4
299.12454	0.5
319.63861	0.4
439.16437	0.6
457.17191	100.0
458.17664	6.6
503.33801	0.6
633.68921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
67.74254	1.3
71.42901	1.0
71.59904	1.0
87.00878	5.5
91.05542	26.0
96.96017	1.9
107.01457	1.2
116.92854	2.4
117.07101	5.1
123.00855	2.0
125.02460	2.0
128.03526	1.5
133.06604	11.1
143.04660	1.2
161.06093	15.3
163.04019	27.2
164.11369	1.1
166.55096	1.4
169.01434	3.5
179.07185	2.6
223.06134	100.0
285.85379	1.2
300.99939	1.4
306.07593	1.8
393.28644	1.4
425.62488	1.2
474.54910	1.3
501.19974	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	725.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13670	4.5
59.01366	16.9
61.98838	33.3
71.01380	13.8
83.05054	6.6
89.80094	4.6
99.00842	6.5
109.06571	10.6
113.02390	4.7
127.31606	4.4
136.35944	4.0
153.62346	3.8
163.11203	7.6
171.10265	6.7
197.11903	8.6
199.09796	7.0
207.10234	25.8
208.81700	4.1
209.11833	100.0
211.13408	81.5
225.11392	31.8
227.12914	23.8
227.97116	4.8
235.08308	8.1
253.09290	16.1
447.22424	8.6
639.33636	6.4
651.30835	5.7
725.35126	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	725.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93166	5.4
59.01384	33.7
61.98845	32.3
71.01393	13.6
73.02929	9.4
82.95438	7.6
83.05025	7.1
89.02408	9.7
97.02924	8.5
101.02436	9.0
104.31313	5.4
109.06617	13.5
111.47636	6.4
111.63412	5.8
163.11235	8.3
171.10208	13.0
195.95441	6.0
197.11815	21.8
207.10287	41.5
209.11848	100.0
210.12260	12.3
211.13428	70.4
221.11885	10.6
223.09898	7.8
225.11336	53.5
227.12926	26.8
253.09163	15.9
309.20401	6.7
342.32687	6.9
353.56943	6.2
725.35284	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	725.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23335	0.5
57.03454	1.3
59.01383	13.5
61.98826	2.4
69.03470	2.5
69.28458	2.7
70.21342	0.5
70.88597	0.5
71.01388	4.8
72.99320	0.7
73.02973	1.3
80.85383	0.5
82.95449	1.6
83.05003	0.8
85.02942	0.7
87.00885	1.2
89.02447	3.0
97.02985	0.8
97.06570	0.7
99.00919	0.6
101.02451	4.3
109.06609	0.7
111.08156	3.5
113.02480	2.4
119.03454	0.7
142.70509	0.6
149.09712	0.6
153.09192	0.9
153.12874	1.0
161.04552	1.6
167.10805	2.7
169.12361	6.6
171.10147	1.2
174.28404	0.6
179.05644	0.9
179.10773	2.1
179.14426	3.7
194.12646	0.6
195.13916	11.3
197.11841	83.2
198.12202	2.3
199.13342	1.1
205.12323	9.5
209.11818	1.9
211.13406	2.6
213.11279	0.8
223.13400	100.0
224.13704	4.6
227.13095	0.6
227.51552	0.6
235.08203	4.7
253.09259	14.5
291.19641	8.3
293.21228	1.1
309.20743	23.9
310.20999	0.9
411.25034	1.5
429.26334	1.2
433.20746	3.5
441.21228	2.1
459.22375	15.7
460.22375	1.5
616.53430	0.6
643.31836	1.2
647.33893	1.9
665.35352	1.4
725.41510	0.9
732.00336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.9
61.98839	3.7
69.10211	2.3
71.01368	1.0
71.43246	0.3
73.02982	0.5
75.00854	0.4
88.98814	0.5
89.02447	0.9
99.00899	0.4
101.02428	1.1
107.01413	0.5
109.06610	0.4
113.02440	1.3
123.00882	0.6
125.02441	1.3
148.11963	0.3
161.04514	0.8
163.11275	0.4
169.01472	1.7
171.10251	0.8
199.09766	1.0
201.11353	0.9
207.10306	1.3
209.11848	5.6
210.12126	0.4
225.11313	1.9
227.12941	1.0
235.08174	0.5
253.09276	1.0
301.00043	0.5
389.28635	0.4
407.29279	0.9
437.30676	0.5
455.31430	0.9
461.20139	0.6
503.33856	100.0
504.34161	11.9
545.34888	4.1
573.22028	1.1
575.35358	0.5
609.29596	0.8
627.30164	1.3
631.66711	0.4
635.30804	0.6
645.31262	1.6
653.31653	0.8
665.39056	1.1
671.32983	1.5
672.32507	0.4
725.31543	1.2
725.42456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01384	8.9
61.98830	1.6
71.01392	5.6
73.02951	1.5
83.01393	0.9
83.05045	0.6
85.02964	1.4
89.02447	3.7
95.05064	1.1
97.06594	3.7
98.22671	1.7
101.02441	4.7
113.02459	2.2
114.15279	0.7
119.03515	1.0
143.03494	0.6
151.11302	13.9
161.04652	0.7
169.12355	98.1
170.12733	3.6
171.10252	2.5
179.05650	0.7
195.10277	2.1
195.13925	3.1
197.11842	2.1
199.70680	0.6
205.12393	0.6
209.11937	1.7
213.11348	11.9
223.13391	1.9
235.08238	1.7
238.31163	0.5
245.16078	0.6
253.09244	3.2
275.20178	1.8
279.19818	1.0
293.18179	1.1
293.21255	11.1
294.21384	0.7
309.20978	0.7
431.19232	2.3
449.20447	7.9
725.41235	100.0
726.29370	1.2
726.41577	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	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93517	0.3
59.01385	34.0
61.98842	0.7
62.31149	0.4
63.06742	0.3
71.01392	0.8
87.00880	0.9
89.02481	0.4
96.96040	0.6
98.11709	0.3
101.02435	0.6
113.47973	0.5
113.54607	0.3
119.03452	0.5
136.68059	0.4
164.84239	0.4
188.04861	0.7
189.05615	0.9
217.05104	1.1
217.09813	0.4
221.06795	0.4
248.86763	0.4
327.21884	0.4
343.11603	0.4
357.90726	0.4
421.31381	0.9
423.28998	0.4
443.31659	1.0
453.30145	3.0
459.35422	0.5
479.42230	0.5
485.32874	8.6
486.33237	0.8
503.33847	100.0
504.34152	13.8
545.34802	0.7
663.22675	0.4
665.39258	1.1
725.23621	1.9
725.41211	0.9
726.22656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.7
61.98841	3.3
71.01373	1.4
71.05030	0.6
71.43423	0.5
80.58689	0.3
81.01707	0.4
85.02936	0.4
89.02428	0.5
95.01387	0.4
96.96026	0.5
101.02461	0.7
113.02454	0.6
120.35239	0.3
123.00893	1.0
123.04478	0.4
124.01675	0.8
125.02470	1.9
126.02015	0.3
126.30364	0.3
141.01904	0.3
149.02440	0.5
150.03215	1.0
151.04013	0.4
160.93669	0.3
165.05605	0.7
166.99849	0.7
169.01422	1.5
293.25772	0.3
316.50778	0.4
318.07474	1.0
332.09052	1.1
333.09793	1.2
338.65030	0.4
345.10028	0.4
409.26669	0.4
441.33505	0.4
443.31613	0.5
459.34756	1.0
463.93781	0.5
472.56464	0.4
485.32816	8.4
486.33212	1.0
503.33832	100.0
504.34146	9.9
545.34222	0.8
583.18494	0.5
665.39130	4.3
666.39478	0.7
707.22949	0.9
725.24670	2.0
725.40826	0.5
729.56793	0.4
743.32843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60215	0.2
57.03459	0.2
58.18990	0.2
59.01384	31.1
60.01722	0.3
71.01392	1.2
73.02953	0.3
85.02971	0.6
89.02448	0.9
95.01397	0.4
96.96066	0.2
98.22677	0.4
101.02446	1.5
113.02482	1.1
115.39980	0.2
119.03481	1.1
161.04579	0.5
169.01503	0.2
229.21666	0.2
321.15671	0.2
409.31302	0.3
425.30640	0.7
427.32394	0.6
437.30490	0.4
439.32016	0.7
459.34714	0.2
473.32574	0.2
503.33829	100.0
504.34161	11.4
513.32178	0.2
517.35583	0.4
545.34729	1.7
575.37189	0.2
621.33514	0.2
665.39746	0.8
725.41425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70374	0.3
55.30105	0.3
57.03440	0.3
59.01384	4.1
60.25128	0.3
61.98835	4.1
66.94701	0.3
71.01382	1.2
72.99322	3.1
73.02952	0.4
73.06167	0.2
75.00879	100.0
76.01218	0.7
80.96526	0.4
85.02958	0.4
88.98843	0.4
89.02451	0.6
99.35277	0.3
101.02473	0.7
107.01452	0.3
109.06611	1.1
119.03532	0.4
122.58575	0.3
125.02479	1.4
136.02756	0.3
142.08797	0.3
161.04550	0.5
163.11307	0.7
169.01422	1.3
171.10303	0.7
184.33719	0.3
197.11829	0.4
201.11353	0.9
207.10258	2.7
209.11826	5.4
210.12292	0.4
225.11316	3.6
226.11559	0.4
227.12904	1.8
235.08307	0.5
252.18098	0.3
253.09343	1.1
443.19492	0.6
445.21191	0.4
461.20493	1.3
473.32303	0.4
487.34518	1.0
488.34641	0.4
502.32605	0.3
503.33774	7.2
504.34238	0.8
573.22455	0.8
609.29004	0.6
627.30463	0.7
635.31024	1.1
645.31732	0.8
653.32758	1.0
671.32855	2.0
672.33734	0.6
725.31647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	32.5
59.40817	0.4
61.98813	0.3
68.63168	0.3
71.01385	1.9
79.29696	0.4
85.02958	0.6
89.02471	2.0
96.96017	1.2
101.02432	1.5
107.59776	0.4
107.93020	0.4
113.02453	1.5
119.03513	1.1
125.02444	1.0
159.38341	0.4
161.04561	0.6
169.01428	1.1
179.05592	1.0
180.22133	0.4
195.06580	0.4
211.02478	0.5
267.36407	0.4
271.04504	0.4
437.30841	0.6
439.32230	0.6
457.33282	0.5
458.33823	0.7
459.34854	0.7
503.33847	100.0
504.34219	10.0
517.32178	1.3
545.34851	2.7
665.39050	4.0
725.27332	0.4
725.40863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53576	0.3
59.01385	27.9
61.98834	2.6
70.46770	0.9
71.01387	5.6
73.02963	0.7
76.12798	0.4
85.02958	1.6
87.00842	0.4
88.29414	0.4
89.02457	6.2
95.01364	0.6
96.96016	7.7
98.95587	0.4
101.02441	3.2
113.02468	3.4
119.03522	3.5
123.00899	1.5
123.59796	0.4
124.01678	0.6
125.02465	1.0
129.16052	0.4
131.03476	0.4
135.24608	0.4
143.03526	0.4
149.02394	0.6
150.03223	1.3
151.00412	0.4
161.04596	1.4
161.71347	0.4
165.05539	1.2
166.06317	0.6
169.01454	1.2
179.05611	3.2
236.81300	0.4
263.00262	0.3
345.10873	0.6
345.61084	0.8
425.30515	0.8
452.76425	0.4
457.33615	0.5
458.33478	1.2
485.32678	1.1
501.33002	0.5
503.33838	100.0
504.34161	11.2
545.34930	1.3
639.23749	0.5
665.38635	1.1
681.34247	0.5
725.24591	0.7
725.41461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03066	1.1
61.98827	1.7
62.96687	1.0
67.93777	1.2
69.43127	3.5
69.43543	2.4
89.33159	1.0
93.13142	1.3
93.88789	1.0
98.22704	2.1
106.04273	1.2
108.02177	2.5
115.05541	2.8
117.03466	3.9
119.05059	1.5
121.03033	1.6
132.02194	4.7
133.02986	4.7
134.03754	100.0
135.04263	1.7
136.01659	2.4
137.02441	5.6
139.04034	2.8
141.78911	1.3
147.04536	2.8
149.06084	18.8
150.03288	1.6
151.04039	2.1
158.61983	1.0
159.04546	2.0
160.01675	8.6
161.94870	0.9
162.03276	3.6
163.04027	1.6
166.06316	2.7
175.02522	1.3
175.04027	23.5
177.05571	2.5
178.02718	24.5
179.03497	4.0
192.04309	2.4
193.05075	98.9
194.05405	3.2
204.04083	1.1
207.06610	2.3
233.04565	3.1
237.05569	2.3
265.05112	2.5
279.06589	2.0
280.07355	2.5
292.03659	1.2
293.08310	1.5
299.30261	1.1
307.06268	5.0
308.07001	8.0
321.07562	3.4
352.05795	2.8
367.08319	8.6
371.11307	2.4
501.15524	1.5
549.17279	1.3
551.18964	6.0
591.18835	2.3
598.52435	1.1
727.24097	38.3
728.24628	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	727.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.6
59.01385	52.7
69.65675	4.5
69.85667	1.1
71.01396	17.3
73.02950	3.7
75.19793	1.1
83.01369	1.7
85.02955	4.7
87.00862	8.9
88.18253	1.0
89.02453	10.6
95.01390	1.8
97.02956	2.5
99.04516	1.7
101.02460	12.9
113.02473	6.8
119.08665	4.5
121.06567	1.8
125.02444	6.4
132.19197	1.2
133.10236	2.2
134.97679	1.3
135.08139	3.2
135.11842	1.4
137.09734	18.2
153.09274	2.1
161.04579	2.8
161.09706	8.3
163.07658	8.1
179.05708	1.7
179.10837	6.6
181.08755	12.2
193.45496	1.1
197.11861	29.4
203.05548	1.7
205.08720	1.6
221.06650	13.0
223.09760	12.3
241.10872	23.5
265.10883	2.0
279.63989	1.2
283.11923	14.6
300.99890	1.5
313.12796	1.4
324.69376	1.5
330.77814	1.4
343.14035	10.5
403.16098	14.8
404.16727	1.3
427.16217	1.8
445.17245	12.8
475.18069	3.7
503.16177	1.9
505.19278	15.0
505.31271	1.2
547.20410	2.7
565.21436	41.9
566.21759	5.1
727.26740	100.0
728.27606	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	727.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.2
61.98836	10.7
69.22744	9.6
71.01396	6.4
73.02960	2.1
78.27063	1.6
83.05013	2.5
85.02959	3.0
88.98825	3.7
89.02455	3.5
97.02893	1.7
97.21155	1.9
101.02460	6.0
102.72996	1.6
103.02769	1.6
113.02463	3.4
116.92912	8.5
119.02438	2.0
123.00924	2.8
125.02475	8.9
142.38890	1.7
145.03059	1.6
146.60951	1.6
163.11255	3.3
169.01421	10.1
171.10368	2.4
173.02365	2.4
189.01918	1.5
191.03609	2.2
199.13438	13.4
201.01860	1.7
201.11317	7.9
209.11850	100.0
210.12175	2.7
212.39670	1.6
225.11461	2.9
227.12914	64.0
228.13310	2.2
229.01424	4.3
229.14491	2.7
231.03027	2.0
235.08231	5.1
245.00983	3.2
245.13959	1.9
247.02446	2.0
247.13470	1.9
247.23872	1.7
253.09259	12.7
257.00989	2.6
274.01120	2.7
275.02020	11.0
276.02200	1.8
277.37753	1.9
298.98410	1.6
299.99045	3.2
300.99896	22.0
390.02475	5.6
390.52884	4.6
391.03104	7.0
392.03909	1.8
401.23489	3.8
419.24539	1.8
445.20770	11.2
463.21954	13.9
505.34299	2.5
587.08582	1.9
616.93317	1.8
637.32220	15.1
638.32849	2.3
655.33612	22.4
656.33923	2.1
673.35193	9.1
709.31683	3.7
727.32172	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	728.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03049	0.1
59.01370	0.2
61.98834	100.0
70.18646	0.1
71.43546	0.1
162.09900	0.1
197.11865	0.3
198.12289	0.2
223.13429	0.4
224.13885	0.1
332.88538	0.1
420.14783	0.1
430.77060	0.1
580.82092	0.1
670.98834	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	728.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
60.23042	0.2
61.98835	100.0
62.98530	0.2
69.12701	1.1
71.01410	0.4
81.45422	0.1
83.73104	0.2
88.98841	0.3
89.02468	0.2
101.02456	0.2
113.02453	0.3
123.00935	0.2
125.02478	0.7
135.04601	0.2
145.02968	0.2
161.02367	0.2
169.01497	0.6
171.31291	0.2
193.50908	0.2
201.02022	0.2
203.03645	0.3
207.10324	0.2
209.11833	1.3
210.12305	0.7
217.01703	0.2
227.13026	0.6
228.13251	0.3
229.01511	0.3
253.09488	0.2
275.02090	0.7
299.99118	0.2
300.99939	1.5
376.02774	0.5
376.52817	0.4
377.53207	0.2
390.02097	1.0
390.52237	0.7
391.03241	0.7
392.04044	0.3
503.34149	0.3
504.34042	1.0
505.34396	1.5
506.34790	1.8
627.93835	0.2
638.33215	0.3
656.34521	0.3
729.33234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63917	1.6
59.01381	6.3
61.98836	13.9
71.01388	3.4
75.00853	1.8
79.63255	1.6
85.00436	3.6
89.02444	2.4
89.37326	1.4
101.02458	3.6
113.02507	2.0
116.92879	1.9
161.04497	2.1
179.14404	2.4
183.13911	4.5
195.13896	7.6
205.12332	6.8
209.11946	1.9
209.53658	1.4
211.13426	100.0
212.13875	4.9
223.13425	77.1
224.13849	2.2
230.04498	1.7
235.08366	5.0
253.09200	8.4
320.93802	1.7
400.60257	2.4
417.26773	1.9
441.21472	3.5
447.22458	12.1
459.22546	13.7
635.34576	5.1
637.68909	1.8
653.35364	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	728.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
60.01693	0.1
61.98837	100.0
62.92227	0.1
69.43076	0.3
69.43471	0.4
71.01413	0.3
75.80484	0.1
85.02982	0.2
88.98835	0.3
89.02469	0.3
96.96046	0.1
101.02479	0.2
103.01609	0.1
113.02486	0.2
116.92892	0.1
117.89848	0.1
123.00845	0.1
124.01682	0.1
125.02478	0.6
151.00456	0.1
169.00235	0.2
169.01389	0.8
175.03979	0.1
191.03564	0.2
209.11890	0.2
211.02481	0.2
213.21732	0.1
275.02185	0.4
282.37851	0.1
300.99988	0.5
336.10583	0.3
376.02789	0.1
390.02570	0.2
391.03366	0.2
395.21066	0.2
503.34042	0.3
504.34430	0.9
505.34482	1.1
506.34830	1.4
668.39349	0.2
719.20319	0.1
728.42474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
60.01717	0.3
60.62632	0.1
61.01817	0.1
61.98835	100.0
62.98531	0.1
67.15487	0.1
71.01396	0.3
71.43942	0.1
72.34779	0.1
74.95723	0.1
87.00895	0.1
88.98829	0.2
89.02447	0.2
95.01403	0.1
98.84959	0.1
99.73734	0.1
101.02477	0.1
113.02477	0.2
116.92867	0.4
119.03566	0.1
123.00890	0.1
125.02457	0.2
153.05637	0.1
169.01537	0.1
179.05586	0.1
300.99792	0.1
312.64847	0.1
454.31128	0.1
455.31403	0.1
486.32971	0.1
487.33597	0.2
488.33820	0.2
503.33926	0.4
504.34189	1.7
504.41525	0.1
505.34488	1.9
505.41562	0.1
506.34729	2.5
548.22351	0.1
607.39111	0.1
612.27747	0.2
668.39264	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	729.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88336	0.5
59.01380	1.7
60.78238	0.5
67.16897	0.5
69.43150	2.5
71.01386	10.6
72.99316	2.2
73.02935	0.8
85.02967	0.6
87.00853	0.8
89.02433	1.4
95.01414	0.7
97.02947	0.9
98.21886	0.9
101.02463	1.1
102.18627	0.5
105.03524	0.6
107.01426	1.4
107.05058	0.7
109.93887	0.5
111.00861	0.7
114.12541	0.6
115.00388	29.6
116.00730	0.7
123.00900	6.7
123.04530	0.9
124.01682	4.3
125.02468	5.5
133.01445	100.0
133.02859	3.7
134.01820	1.1
134.03787	1.3
135.04543	23.2
136.04858	1.0
139.00410	1.3
141.01985	1.0
151.00365	5.5
168.00688	1.5
169.01445	9.3
177.01918	1.5
179.03510	21.8
255.05237	1.7
271.04581	1.1
295.04620	3.6
313.05585	0.9
314.35898	0.6
346.24185	0.6
408.77374	0.6
433.13522	60.8
434.14001	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	729.2557
Annotation	Erythro-carolignan E
Peak:m/z	Relative Intensity
54.94361	0.7
57.86349	0.7
64.16547	0.7
70.50813	1.0
70.51142	1.1
75.42653	0.6
89.03976	2.0
97.30432	0.8
105.03470	1.2
107.05043	1.0
108.02187	1.4
117.03476	2.6
119.05026	2.5
121.02989	1.6
132.02179	12.4
133.02985	11.1
134.03754	100.0
135.04564	16.0
136.01607	3.8
137.02448	4.8
145.02945	0.9
146.03738	1.2
147.04565	3.7
148.05327	4.6
149.02472	0.8
149.06104	16.6
150.03239	2.1
151.04015	2.0
160.01675	40.0
161.02458	6.6
161.06171	1.1
162.03252	3.7
163.04001	1.7
175.04012	45.9
176.04443	1.8
178.02733	28.1
179.03529	12.2
192.04309	1.9
193.05067	61.4
194.05440	1.5
207.06709	2.7
220.83870	0.7
221.73454	0.7
288.50122	0.7
294.09268	0.8
341.10522	1.0
342.11069	8.5
343.11661	2.8
353.10364	3.2
356.12619	3.2
357.09525	0.6
357.13434	13.9
358.13855	1.2
368.12521	1.1
371.11081	1.0
393.07278	0.6
397.12857	3.5
411.14536	1.9
449.44601	0.7
503.17096	10.2
504.17191	1.3
505.18448	4.7
517.18481	3.8
521.17676	0.7
535.19659	1.1
553.20795	9.5
729.25598	39.1
730.25940	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	729.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.3
68.08006	1.3
68.14140	1.3
69.66234	5.4
73.47742	1.3
73.95592	1.5
75.42042	1.4
81.69104	1.4
87.80598	1.5
89.03989	1.5
98.22572	3.1
104.08600	1.5
117.03490	2.1
132.02211	12.0
133.02988	9.8
134.03761	100.0
135.04567	16.9
136.01680	4.1
137.02495	7.8
137.47546	1.7
145.02977	1.8
147.04575	2.0
148.05321	4.5
149.06102	18.5
150.03217	2.5
160.01689	29.9
161.02473	9.0
162.03290	2.2
163.04010	1.6
165.05666	2.1
175.04024	38.3
178.02734	29.7
179.03548	10.6
192.04344	2.7
193.05083	78.6
194.05417	2.1
207.06616	3.6
256.59106	1.5
341.10083	2.1
342.11102	7.5
343.11783	3.2
353.10138	2.0
357.13434	20.2
371.11346	1.9
397.13525	3.0
411.36545	1.6
496.82047	1.8
503.17108	10.5
505.18683	3.1
517.18781	2.2
553.21027	8.9
562.79773	1.9
648.09015	1.7
696.45050	1.6
729.25598	33.4
730.25885	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	729.334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09860	2.0
59.01385	33.5
61.98838	9.9
69.03464	3.6
71.01389	16.8
73.02966	3.4
81.03464	5.7
83.01373	2.2
83.05028	6.6
85.00445	3.5
85.02988	3.1
89.02443	6.8
95.05036	3.3
96.96048	2.1
97.02972	10.6
97.06624	2.4
99.00877	2.9
101.02460	8.2
107.05087	2.4
109.06606	52.6
110.03751	3.9
111.04557	2.0
113.02456	3.3
121.06618	4.6
125.05971	2.5
125.09669	9.6
135.08168	8.3
136.05296	2.5
148.16180	2.3
161.04585	5.4
161.09708	4.6
163.11293	24.3
169.01404	1.9
171.10295	4.2
172.05057	1.9
179.10814	4.5
181.12358	6.7
187.09717	3.4
189.09209	2.4
197.11819	5.2
199.09857	2.5
201.11334	25.9
207.10277	100.0
208.10666	2.1
209.11838	25.1
211.13423	12.7
212.13712	2.6
223.09798	3.6
223.13416	7.8
225.11351	49.6
227.12898	3.8
235.08260	6.9
237.11397	3.3
240.60825	2.2
243.12440	1.7
253.09340	11.8
263.12936	3.2
277.61526	1.9
278.71988	1.9
309.20712	6.0
327.19778	3.1
389.19714	3.3
397.20172	7.3
415.21185	14.2
428.67181	2.0
433.22241	5.6
443.19601	2.9
461.20346	14.7
515.82477	1.9
597.29041	2.9
607.27808	12.6
623.31378	2.4
625.28760	20.9
626.28815	3.5
633.02557	1.9
633.29382	10.9
651.30225	52.3
652.30566	5.1
669.31384	29.1
670.31915	2.3
674.30371	2.2
729.36902	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	729.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84186	0.9
52.77002	1.0
57.97577	1.3
58.49963	0.9
59.01384	7.4
61.98833	5.4
69.03455	1.0
71.01382	4.5
71.43809	1.2
73.02953	1.9
77.27123	0.9
80.02699	1.8
81.03471	1.2
83.05029	3.7
84.68630	0.9
85.02958	2.1
87.00867	1.2
89.02456	3.5
90.23576	0.9
101.02430	3.7
109.06570	1.6
111.08099	1.4
113.02487	1.3
116.92854	3.2
119.03473	1.6
127.11277	1.2
131.80492	0.9
155.10826	1.2
161.04532	2.0
163.11351	5.1
165.12831	3.1
171.10262	3.7
179.14288	1.0
181.12411	1.1
195.13895	4.3
197.11819	6.8
201.11324	24.2
205.12291	5.1
207.10245	3.3
209.11841	100.0
210.12190	3.3
211.13419	3.3
223.13416	46.5
223.15230	0.7
225.11353	1.9
227.12871	13.7
235.08250	3.9
247.92848	1.0
253.09244	12.9
291.19693	2.5
309.20743	9.8
381.84885	1.2
390.91827	1.1
390.96750	1.2
437.77795	1.0
445.20636	2.6
459.22220	3.0
644.78906	1.0
651.33496	1.4
657.85327	1.0
669.33502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10143	2.4
57.03451	2.1
59.01082	4.8
59.01386	100.0
59.47278	2.4
61.98849	6.2
71.01401	12.7
73.02944	3.9
78.91899	79.2
85.02985	6.5
101.02453	7.2
113.02471	2.6
125.02478	5.0
153.71317	3.4
161.04587	4.9
166.45285	2.8
169.01360	5.5
199.13464	2.5
209.11885	17.8
227.12996	4.7
275.01971	4.3
283.30716	2.6
294.04651	3.1
299.93631	2.5
300.99979	5.0
315.18118	6.6
327.21924	2.6
357.19278	3.1
406.85889	2.4
664.55273	3.3
694.45349	3.1
729.34930	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	730.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.3
61.21464	1.7
69.03466	1.8
69.34380	7.6
69.98567	1.4
69.99300	1.3
71.01384	3.1
73.96342	1.5
75.21651	1.3
82.80849	1.6
84.46407	1.7
94.02984	7.1
95.01367	2.7
97.02959	1.9
107.01407	13.8
113.02442	2.0
121.57014	1.5
123.00910	11.4
124.01667	18.1
125.02464	70.5
126.02824	1.8
134.84421	1.4
138.97290	1.5
139.00362	3.0
140.01175	3.1
141.01901	1.9
151.00385	8.4
165.01868	1.5
168.00664	11.5
169.01443	100.0
179.03535	1.7
202.05034	3.3
205.01555	2.0
211.02431	4.7
246.03992	2.0
247.81418	1.5
253.03645	1.7
271.04559	3.9
295.04593	5.0
313.05643	23.2
390.08075	1.9
396.09250	3.2
408.09348	12.3
426.10526	8.5
465.06940	7.3
465.12927	1.8
495.83954	1.6
560.10602	17.5
578.11578	72.6
579.11761	5.1
730.12634	56.0
731.12946	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	730.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28062	0.1
59.01377	0.2
61.98835	100.0
62.98536	0.1
65.80450	0.1
69.25076	0.7
75.00872	0.4
75.57629	0.1
86.95486	0.1
100.59240	0.1
107.19003	0.1
116.92867	0.1
127.62916	0.1
127.74190	0.1
152.58394	0.1
161.43352	0.1
207.10316	0.3
209.11864	0.6
223.44124	0.1
249.15022	0.5
257.65799	0.1
287.17691	0.1
309.39954	0.2
316.74564	0.1
322.03723	0.1
355.19269	0.2
370.04294	0.1
408.02853	0.1
485.24362	0.2
590.85272	0.1
731.34479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.89536	0.6
98.21896	0.4
100.20332	0.3
188.76131	0.3
195.65987	0.4
200.15178	0.3
251.12585	0.3
410.12668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63343	2.8
67.74426	3.2
71.41401	4.2
71.41776	3.5
79.95747	4.5
87.11571	2.8
96.96020	100.0
110.51766	3.4
110.77252	3.4
119.97378	3.3
125.02443	5.3
125.26563	3.2
135.04601	4.1
141.44267	2.9
145.01450	4.5
163.02490	8.4
169.01424	6.8
173.02541	4.0
228.97560	3.7
249.03961	6.8
255.05331	5.0
275.02103	8.9
300.99881	41.8
356.95679	72.6
357.96176	6.1
361.33517	3.8
371.94296	9.7
397.95496	3.9
398.96808	17.9
410.96631	11.3
462.96088	11.9
476.96997	4.1
490.95908	17.7
491.96393	3.4
504.96967	4.0
508.96909	9.7
520.96704	9.8
532.96344	15.0
550.97852	60.2
551.97675	6.4
580.98627	9.3
633.07593	32.0
716.67352	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	731.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
60.76799	0.3
69.45857	1.0
69.46249	0.8
71.01386	12.6
72.99323	2.0
87.00890	0.6
89.02451	2.0
91.26102	0.4
95.01414	0.4
96.96035	0.7
101.02450	0.9
107.01395	1.0
111.00951	0.6
113.02529	0.4
115.00383	31.0
116.00732	0.6
119.05045	23.1
120.05357	0.5
123.00906	3.6
124.01690	2.7
125.02470	5.8
133.01442	100.0
134.01801	1.2
139.00404	0.7
140.01158	0.8
141.02005	1.0
142.55415	0.4
151.00414	3.2
163.04024	27.3
164.04428	0.6
168.00661	0.9
169.01433	6.7
179.05617	0.4
201.02080	0.4
211.02570	1.2
271.04584	0.9
279.05188	4.1
300.99954	0.6
313.05673	0.7
451.12491	44.1
452.13007	2.6
531.90009	0.4
714.86261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33245	4.9
61.98824	5.2
69.29423	11.0
69.29830	14.1
72.20410	4.7
94.51324	5.2
98.43253	4.7
98.61772	4.4
121.02916	4.7
122.03732	21.3
123.04569	6.5
132.02185	7.1
133.02904	12.1
134.03745	27.1
135.04515	24.9
136.01666	12.4
136.68932	5.4
145.02994	5.4
147.04524	11.1
148.05333	10.7
149.02429	27.8
149.06050	22.6
150.03232	100.0
151.03995	13.9
160.01660	6.3
161.02448	11.8
161.05992	5.6
164.04767	12.6
165.05582	83.2
175.03993	29.5
179.03520	13.5
192.04260	8.9
193.05066	15.2
195.06604	28.5
207.06615	15.9
237.05484	6.1
240.04247	18.0
249.05562	6.3
265.04977	7.0
267.06662	11.1
272.21252	4.8
279.06412	5.9
280.07318	9.1
285.67337	4.8
293.08328	6.6
294.08890	5.6
295.06097	12.6
295.09366	7.0
298.08514	24.1
310.34290	5.1
311.09244	7.4
313.10800	18.6
326.11639	8.8
329.13892	5.7
342.11005	10.8
343.11810	32.9
350.78821	4.8
353.10376	16.3
355.11960	7.8
357.13495	33.2
398.73309	5.2
487.14105	7.2
490.15628	6.5
502.16144	6.9
504.17838	6.4
505.18756	8.5
517.18799	53.6
635.19086	12.0
653.23816	20.1
665.23761	79.8
666.24377	7.6
677.23700	16.7
683.24738	15.4
695.24744	11.0
701.26001	57.2
713.25763	33.9
731.26758	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	731.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24710	2.4
59.01382	5.4
61.98835	100.0
65.02284	3.1
70.54024	7.5
81.69162	2.8
88.98796	7.8
101.85293	2.8
105.11356	2.8
109.57190	3.1
112.54263	3.0
116.92891	3.3
159.16858	2.8
163.11324	3.7
171.10237	5.1
197.11911	3.3
209.09854	4.0
209.11844	81.0
227.12878	17.6
227.25266	3.6
231.13957	4.3
235.08281	2.9
249.14977	45.3
253.09302	7.8
445.21030	4.0
457.83020	3.0
485.23929	7.1
532.97150	3.3
677.35828	4.8
695.36591	4.9
731.34216	32.9
732.34692	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	732.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.21099	0.1
61.98835	100.0
64.11175	0.1
69.05466	0.9
71.01384	0.3
83.05059	0.1
88.98823	0.2
112.29156	0.1
113.49805	0.1
139.81541	0.1
153.46899	0.1
163.11237	0.2
169.01347	0.1
171.10323	0.3
183.14035	0.2
197.11832	0.2
207.10385	0.3
209.11844	4.2
211.13423	3.0
211.15349	0.2
223.13722	0.1
225.11382	0.2
227.13011	0.5
253.09360	0.4
258.33676	0.1
304.46451	0.1
403.01642	0.1
445.21094	0.1
447.22403	0.2
477.82748	0.2
493.30536	0.2
733.30859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34491	0.1
53.81083	0.1
61.98834	100.0
63.07421	0.1
66.56078	0.1
69.35931	0.1
71.68398	0.1
76.10210	0.1
89.03045	0.1
171.10321	0.3
209.11792	0.7
211.13438	0.6
253.09364	0.1
721.51263	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36229	2.3
54.01785	2.4
58.03339	3.0
59.01389	7.3
61.03035	2.6
61.98840	13.0
69.25268	12.3
71.01408	3.2
93.03468	5.5
96.96005	4.0
101.02483	2.8
108.02149	3.5
116.01777	3.2
121.02991	14.7
122.03746	15.5
123.04538	5.6
125.02469	6.4
133.02986	6.4
134.03770	8.4
135.04562	7.5
136.01698	2.9
136.05345	2.8
141.01732	2.7
145.02951	6.8
146.03760	6.8
146.83315	2.9
147.04523	9.4
149.02487	24.7
149.06079	6.8
150.03241	100.0
151.03835	2.7
157.37234	2.9
158.03781	3.6
159.04561	5.4
160.05309	5.6
160.84178	3.0
161.06091	5.1
162.03235	4.2
162.18359	2.6
163.04030	18.4
164.04857	18.0
164.83611	3.5
165.05589	70.5
166.06393	4.4
169.01447	9.3
175.03973	2.8
175.07736	2.7
176.04752	4.1
177.05626	7.2
179.07172	9.0
180.04240	4.9
191.26385	3.2
192.04323	11.5
195.06651	43.3
195.08322	5.2
207.06644	21.6
219.06731	4.0
227.07059	3.1
237.07713	7.9
239.07245	4.0
240.04338	27.7
240.07907	3.8
250.06386	2.9
255.06694	12.8
265.05139	5.0
267.06622	16.3
269.08258	14.4
270.08823	6.2
271.09637	3.5
279.06680	4.4
280.07468	4.0
281.08331	7.7
282.08899	5.3
283.06149	8.5
283.09525	6.9
285.07861	3.6
292.07391	3.5
293.08258	5.6
294.08832	5.4
295.06149	31.9
296.06583	4.2
297.07782	4.8
298.08557	33.7
298.93390	3.1
299.09180	11.7
300.09531	3.2
301.10852	4.3
305.08035	3.4
307.09216	3.1
309.11078	4.2
310.08548	21.4
310.11801	3.4
311.09119	16.2
313.10797	37.7
314.11581	17.4
320.10544	5.8
323.12979	6.2
325.10861	33.4
326.11505	13.9
328.09531	6.2
329.13971	40.9
341.13873	27.5
343.08002	5.2
343.11865	57.1
355.11871	8.5
373.12915	30.7
459.18411	3.8
474.16519	3.6
477.19611	20.6
489.19485	15.3
507.19989	6.7
517.18713	6.3
519.20398	22.0
555.22552	13.8
561.20886	3.3
573.21259	4.5
625.24799	16.6
637.24310	10.2
655.25366	23.2
667.25696	34.9
668.25299	3.8
673.26703	21.6
679.25391	5.3
685.26581	14.3
703.27802	17.3
715.27417	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32733	1.7
55.01903	1.4
59.01381	8.2
59.63593	1.7
61.98836	80.1
68.99826	5.1
69.03467	2.4
69.77905	6.0
71.01391	12.2
72.99305	4.4
74.00833	1.7
75.00880	20.1
80.96541	3.2
83.01386	4.2
83.05045	2.7
85.02947	3.5
88.92394	1.7
88.98820	4.6
89.02460	4.0
95.05016	1.9
96.96018	2.8
97.02965	4.0
101.02435	4.6
110.03725	4.8
111.00892	2.9
111.04518	10.8
113.02452	3.4
125.02467	3.5
125.09737	7.7
147.88408	2.0
151.11333	4.1
161.04532	1.8
161.09758	6.7
163.11327	2.8
171.10275	40.8
171.11656	3.2
177.09206	2.8
179.10815	9.6
185.11935	2.3
190.37642	1.9
197.11873	5.8
205.08728	12.2
207.10292	4.9
209.11868	18.3
210.12262	4.7
211.13376	12.5
212.13725	3.6
213.11292	4.3
223.09770	38.3
224.10219	3.0
225.11290	2.8
226.12283	2.3
227.12878	2.6
235.08194	5.1
239.12935	2.8
241.10858	2.3
253.09428	13.1
273.17102	100.0
274.17511	4.6
312.38403	1.7
384.46124	1.9
441.17975	2.7
459.18790	6.4
635.22321	2.0
641.31873	2.1
715.35797	7.0
716.35919	2.3
733.37451	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	733.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
61.98836	100.0
69.03464	1.3
70.47916	1.3
71.01405	2.1
76.91402	0.7
80.10348	0.6
80.35545	0.6
82.95441	2.1
83.01396	1.1
83.05035	2.2
84.02196	0.7
85.02961	1.2
89.02446	1.5
91.04979	0.6
95.01440	0.6
96.96021	1.9
97.02961	0.6
99.00864	0.8
101.02467	1.7
114.93427	0.8
125.02523	1.0
125.09752	3.2
163.11317	1.8
165.12904	1.8
171.10335	1.6
179.10774	1.3
187.09827	0.8
191.10832	1.1
197.11856	9.3
199.13478	0.8
209.11858	50.3
210.12212	2.9
220.28493	0.5
227.12956	6.4
253.09283	3.2
273.17093	9.8
300.99948	0.8
416.76602	0.6
445.20880	1.6
733.36877	18.2
734.37366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09473	2.9
70.98181	3.4
70.98537	2.9
86.75905	2.5
96.35416	3.9
135.22592	4.1
205.67958	3.0
207.10295	22.1
225.11322	6.8
253.09390	5.1
253.21736	18.5
277.21664	3.8
323.58908	3.1
408.20755	3.0
455.35330	100.0
546.01642	3.0
697.41504	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.81827	13.1
85.37300	13.9
86.56930	12.4
100.28267	13.2
160.74977	14.8
207.10370	41.9
225.11359	24.4
253.21648	100.0
509.22897	15.7
697.42242	43.0
733.39282	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
59.01381	8.5
61.98829	2.4
69.03468	3.0
71.01399	3.7
73.02959	0.9
83.01406	0.9
83.05052	1.4
85.02925	0.9
89.02459	3.1
95.05030	1.4
101.01878	0.7
101.02425	4.0
109.06665	0.8
111.08186	8.2
113.02459	2.3
119.03533	1.1
123.08078	0.8
141.09222	0.8
153.15880	0.7
161.04504	1.2
167.10760	4.7
177.12843	2.1
179.05603	0.9
179.10724	2.1
179.14449	2.7
195.13913	13.3
205.12341	9.4
219.35060	1.0
223.13405	87.4
224.13809	4.1
226.22301	0.9
235.08243	5.2
247.20746	2.2
253.09325	9.3
273.18753	2.0
291.19672	100.0
292.20087	6.0
300.99902	1.0
348.34500	0.9
441.21069	1.2
459.22351	10.3
460.22079	0.9
479.31171	1.3
497.32874	1.3
509.27426	1.1
527.28680	6.8
621.33545	0.9
715.40326	1.2
733.41760	2.2
760.55933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39196	3.4
61.98830	4.4
70.55781	4.4
70.56102	3.7
109.06606	3.9
111.86718	2.8
144.25485	2.9
158.79172	2.9
207.10265	21.7
214.10811	3.1
225.11382	6.1
226.56235	3.4
232.45847	3.4
253.09537	4.0
253.21817	19.4
332.50903	3.6
429.34644	3.2
455.35297	100.0
456.35574	15.1
461.20480	5.7
697.41736	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	734.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
59.40461	0.8
59.66223	0.8
61.98833	10.3
69.21118	4.6
71.01366	2.0
79.01920	0.9
80.66125	0.7
81.03439	0.9
85.02952	1.1
95.01400	1.5
97.02929	1.1
98.21882	1.8
101.02467	1.3
105.01991	0.9
107.01394	8.4
111.00932	1.5
111.93452	0.7
113.02481	1.1
123.00887	9.2
124.01685	7.0
125.02463	42.3
126.74812	0.8
130.58771	0.8
136.01686	9.1
139.00391	1.8
140.01176	1.9
141.01974	1.8
151.00377	8.1
151.04015	7.0
153.01945	0.9
166.99803	1.0
168.00662	3.5
169.01442	55.7
170.01859	0.9
176.04704	0.9
183.03030	5.2
210.25281	0.8
241.03397	0.9
313.05643	16.3
313.11002	1.1
327.07343	1.1
327.12381	2.5
343.11761	1.4
563.40918	0.8
604.29291	1.2
671.19861	100.0
672.19873	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	734.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98835	100.0
62.98521	0.3
69.52215	1.1
71.01400	0.5
78.95924	0.3
79.95751	0.4
80.38719	0.2
80.96530	1.7
88.98844	0.3
94.98077	0.4
96.96032	0.3
100.30998	0.3
116.92894	1.3
117.92893	0.3
125.02480	0.5
152.98724	0.3
169.01456	0.7
171.10341	0.8
197.11909	1.0
209.11795	2.8
210.12175	0.5
273.17166	0.5
275.02280	0.3
338.14914	0.3
471.35074	1.2
697.72125	0.3
734.32422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08501	0.1
52.64123	0.1
53.32019	0.1
58.01597	0.1
61.98835	100.0
62.98519	0.1
64.51572	0.1
87.66031	0.1
98.22707	0.2
182.09401	0.1
188.98923	0.1
209.11815	0.2
210.12221	0.1
256.31396	0.1
284.10855	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	734.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55325	0.2
55.65692	0.2
59.01386	0.2
61.98834	100.0
62.59381	0.2
67.53259	0.2
69.89935	0.4
71.01394	0.3
80.96524	0.3
93.06199	0.2
98.22649	0.2
106.50225	0.2
116.92919	0.2
153.57779	0.2
197.11908	1.2
198.12180	0.4
209.11873	1.1
210.12285	0.3
220.27005	0.2
273.17181	0.5
364.57581	0.2
487.34027	0.2
728.76385	0.2
733.37628	0.3
734.37048	2.1
747.74786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78336	0.6
67.01888	1.4
69.03465	1.2
69.57606	1.4
69.57992	1.3
77.69413	0.6
81.03465	0.7
83.01414	0.7
93.03470	7.1
97.02945	0.8
107.01384	2.9
107.05045	1.7
109.02966	0.7
111.00934	0.9
111.04556	2.6
125.02459	39.9
129.89304	0.7
133.06612	0.9
137.02444	4.2
149.06110	1.3
149.56429	0.6
154.28502	0.6
155.03513	2.8
169.01442	100.0
170.01779	1.4
173.03090	1.2
173.04568	21.2
174.05002	1.0
177.05603	2.1
179.03508	2.8
180.03799	0.8
190.53958	0.6
191.05627	15.0
193.01413	1.2
211.02499	1.3
239.05664	6.5
289.07114	0.8
325.05630	8.3
343.06711	42.9
344.06964	1.6
419.07806	1.3
437.08731	2.3
495.07858	61.0
496.08160	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	735.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03453	2.3
59.01379	6.5
60.05658	0.3
69.07396	2.1
71.01396	1.4
72.99309	2.1
73.02957	0.5
83.01395	7.5
91.22203	0.3
95.01409	0.4
96.95459	0.3
96.96011	1.8
98.22680	0.8
98.95617	0.6
99.00891	25.2
101.02448	5.6
107.05050	0.5
115.00377	0.3
117.01954	11.7
119.28312	0.3
121.02982	0.7
123.00887	0.5
125.02468	1.3
133.01457	0.6
133.02963	0.6
134.03723	0.4
135.04539	6.7
145.01442	100.0
145.44023	0.3
146.01805	1.9
161.02490	0.5
163.02528	2.1
169.01497	1.7
174.03238	0.5
179.03505	5.4
187.02512	5.4
205.03549	70.0
206.03894	2.0
217.05371	0.3
232.59099	0.3
267.05188	0.7
275.02014	0.6
300.99890	2.1
302.00293	0.4
307.04639	2.3
367.06665	2.1
450.99414	0.5
467.11618	0.8
664.06842	0.4
677.26788	0.4
735.13910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99153	0.7
59.01386	2.4
61.03661	0.7
61.98833	100.0
63.96245	0.8
69.03464	0.9
69.90211	1.5
71.01389	6.7
73.02950	2.6
78.98597	6.6
79.95735	14.4
80.96521	74.4
81.03460	0.9
81.34343	0.7
85.02961	2.8
87.00856	3.5
94.98099	17.8
96.96029	1.9
97.02946	2.0
99.00875	0.9
101.02451	3.1
106.98106	2.7
116.92846	3.7
122.97607	3.3
123.00882	0.9
125.02461	4.0
127.04033	0.8
134.97624	5.2
134.98480	0.9
136.99162	1.2
148.64314	0.8
148.99178	5.4
152.98660	6.3
161.04434	0.8
164.98656	12.3
167.00217	1.0
169.01454	1.4
201.01833	0.9
206.99742	2.5
207.10255	1.5
209.11835	5.7
210.12225	1.7
225.00745	21.9
225.11266	0.8
227.12823	1.7
242.20016	0.8
273.17096	1.0
275.01993	1.8
283.04965	1.2
283.99466	0.9
300.99887	3.5
376.02435	1.8
381.51981	1.0
390.02158	3.2
390.52487	2.2
391.02838	1.2
507.15100	1.9
509.17383	1.6
653.63025	0.9
683.78168	0.8
735.28992	83.2
736.29260	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	735.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
58.00605	0.8
59.01384	7.5
60.50257	0.6
61.98835	100.0
62.98537	0.9
69.03473	1.2
69.35423	3.2
71.01389	15.1
71.05035	0.8
72.99283	0.8
73.02968	3.1
78.91895	1.9
80.02668	0.8
80.96521	0.8
81.03481	1.5
83.01408	2.1
83.05038	3.0
84.02188	1.4
85.02973	1.7
87.00903	1.8
89.02478	2.7
95.01418	1.1
95.05075	1.5
96.96062	0.7
97.02966	2.1
97.06635	0.9
98.22591	1.3
99.00918	1.0
101.01884	0.6
101.02439	3.7
109.06607	4.5
109.07256	0.7
110.03747	1.2
111.08223	0.9
113.02483	2.7
116.92885	3.0
120.01926	0.7
123.08240	0.6
125.02432	1.5
125.09751	2.8
127.11308	2.6
135.08249	1.2
143.03479	1.3
145.05174	1.1
151.11240	0.7
155.10789	1.2
161.04588	1.4
161.09703	0.9
163.11285	7.2
165.12863	1.1
168.42763	0.6
169.01520	1.2
169.12447	0.8
171.10287	32.5
172.10623	1.6
179.10887	1.6
181.12408	1.2
185.11899	2.2
189.09285	1.6
191.10811	1.4
197.11853	5.7
201.11340	15.9
201.13152	0.9
207.10271	18.8
207.12080	1.2
209.11844	36.3
210.12253	1.9
211.13480	1.7
215.12982	1.7
223.13426	0.9
224.33311	0.7
225.11351	25.0
226.11952	1.0
227.12868	3.5
235.08226	4.0
239.12883	7.6
243.12495	2.0
253.09320	10.8
253.11751	0.5
271.15775	0.8
273.17105	50.5
274.17596	2.2
275.02084	0.9
295.10571	0.8
300.99850	0.7
310.69125	0.7
390.03204	0.7
427.27155	1.0
443.19510	1.1
461.20114	3.6
509.26337	1.1
596.56219	0.8
694.93579	0.8
717.38007	2.6
735.38660	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	735.398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	35.9
61.98832	9.5
66.82898	2.5
67.07494	2.6
69.90051	7.1
71.01388	17.0
73.02947	4.4
78.95956	2.8
81.03458	4.7
83.05023	6.6
85.02941	5.0
87.00887	7.0
89.02458	9.2
95.05030	3.6
97.02946	8.7
97.06556	3.7
99.00893	3.3
100.74039	2.8
101.02444	12.0
109.06603	43.2
110.03743	5.8
111.04545	6.4
111.08167	12.1
113.02434	7.2
119.03505	3.6
121.06596	4.5
125.09753	7.9
135.08163	6.2
142.02693	3.0
157.80086	2.7
161.04565	4.4
161.09705	3.9
163.11307	19.6
167.10724	4.7
171.10258	5.3
173.57541	2.8
177.09155	2.6
177.12878	3.1
179.10802	8.7
181.12344	6.7
185.11832	6.0
189.09247	3.2
195.13905	10.4
205.08696	3.2
207.10283	100.0
209.11806	12.3
223.09813	20.2
223.13371	3.2
225.11351	47.4
235.08238	8.8
237.14987	5.3
247.20638	3.3
253.09317	18.6
261.15033	3.6
273.18515	2.8
277.18060	11.9
279.16010	9.8
289.18222	3.2
291.19687	79.4
292.19901	4.5
293.21295	35.3
298.43616	2.8
299.14548	3.2
329.21158	6.5
344.11258	2.5
437.30740	3.6
443.19022	5.9
461.20248	19.8
463.28491	8.8
481.29822	24.4
485.96768	2.5
499.30899	13.7
573.32843	3.3
621.33606	4.3
699.37445	4.8
717.38708	62.5
718.38525	5.4
735.39624	50.9
736.40033	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	735.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
58.58746	2.2
59.01379	21.8
61.98509	4.9
61.98834	100.0
71.01392	14.7
73.02955	4.8
81.03471	3.1
82.95421	24.6
83.05008	4.3
84.95135	33.1
85.00443	91.1
85.02949	2.5
87.00886	15.7
88.39988	2.1
89.02435	8.5
95.05051	3.0
97.02966	7.7
97.06635	2.8
101.02460	11.8
109.06605	31.4
111.08163	7.3
113.02442	7.1
119.03530	2.8
121.06594	2.8
125.09736	4.8
127.28497	2.5
130.72513	2.7
135.08170	4.7
148.73352	2.3
151.11378	2.8
161.04575	3.1
161.09738	4.3
163.11307	22.5
171.10219	3.9
171.62018	2.5
177.12814	3.1
179.10703	3.8
181.12386	4.2
185.11868	9.7
195.13927	7.7
197.11716	3.7
207.10280	78.2
209.11852	51.9
211.13358	4.6
223.09714	6.4
225.11328	46.4
226.11821	2.5
235.08194	8.3
237.14993	7.2
253.09306	19.2
277.18115	10.3
279.15997	6.4
289.18118	17.7
291.19702	54.7
292.19998	4.6
293.21216	7.4
305.31354	2.3
307.19080	9.7
309.20728	6.1
313.18213	4.2
329.21274	4.0
345.20789	3.3
405.17767	3.1
437.30487	2.7
461.20209	14.3
463.28616	6.7
481.29575	19.9
499.30444	11.7
500.31149	2.9
517.31464	3.2
575.87402	2.5
699.37885	3.8
717.38483	45.9
718.39124	7.5
735.39478	36.8
736.39783	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	735.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08718	21.9
62.84973	21.4
70.54151	18.6
81.27686	19.0
87.46238	24.8
97.14046	18.1
98.21906	56.1
140.13083	20.7
151.89107	19.4
164.85172	21.5
226.53214	20.1
255.23282	100.0
347.53220	21.8
431.34549	21.0
535.27808	23.8
699.43109	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03433	0.6
58.00597	0.3
59.01388	6.8
61.98828	1.1
69.03458	2.1
71.01020	0.3
71.01388	4.2
71.05016	0.9
73.02956	1.0
78.95939	0.2
81.03481	0.3
83.01383	0.4
83.05027	0.6
84.04584	0.2
85.02943	1.0
85.06591	0.5
87.00883	0.8
89.02457	2.8
93.03486	0.3
95.05045	0.6
99.00874	0.3
99.33393	0.2
101.02449	3.5
103.01580	0.3
109.06578	0.9
111.08165	0.4
113.02467	1.9
113.09743	0.4
119.03510	0.9
123.08174	0.3
125.09772	0.3
143.03503	0.5
145.05087	0.3
149.09708	0.6
151.11307	0.3
161.04573	1.9
161.13411	0.3
167.10789	3.3
171.10307	0.3
177.12878	0.8
179.05678	0.5
179.10768	1.1
179.14424	3.5
187.51041	0.3
195.13922	16.1
196.14516	1.0
205.12364	9.7
206.12715	0.4
209.11903	1.1
211.13458	0.3
223.13420	100.0
224.13780	3.5
225.11348	0.4
225.14955	0.6
228.13728	0.4
231.21283	0.3
235.08246	3.8
239.12955	0.3
253.09312	17.7
254.09717	0.4
256.13113	1.0
275.20175	4.9
276.20697	0.3
289.18118	0.4
291.19479	0.3
293.21255	84.5
294.21579	4.4
441.21368	0.5
459.22412	10.4
460.22675	0.5
461.20218	0.2
492.21606	0.4
499.34140	0.9
529.30536	1.1
666.36304	0.6
735.42871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.21
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25431	3.0
61.98838	14.2
71.43349	5.6
96.96065	4.1
100.46297	3.6
107.01384	7.4
123.00912	9.0
124.01629	8.7
125.02465	70.6
168.00711	9.3
169.01443	89.6
183.20482	4.1
193.01462	4.4
211.02469	30.8
271.04480	25.7
300.99899	3.6
301.05759	3.7
313.05896	6.0
483.07925	8.3
509.98355	3.8
659.72809	3.8
673.21436	100.0
674.21277	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	736.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11871	1.1
59.01384	4.4
59.73229	1.4
61.98845	2.8
66.06107	1.3
69.84445	1.2
71.01383	2.7
72.71410	1.4
73.02905	1.3
74.55654	1.2
76.74754	1.2
78.68340	1.2
81.03488	1.2
85.02985	1.4
89.02444	1.9
96.96010	1.7
97.02958	1.6
101.02449	3.0
107.00378	1.2
107.01400	7.2
111.00939	1.5
113.02480	3.0
121.02910	1.5
123.00895	6.1
124.01669	10.6
125.01523	2.9
125.02454	57.3
125.06032	1.6
137.02461	1.6
139.00444	1.6
140.01166	2.5
151.00389	4.2
168.00668	9.4
169.01439	100.0
170.01801	2.3
183.02946	1.6
193.01466	3.8
209.11989	2.0
211.02470	36.4
212.02780	1.5
225.55045	1.4
229.30385	1.6
241.03497	4.3
271.04605	23.7
275.02023	2.2
300.99905	5.8
302.00107	1.5
313.05713	5.2
336.10260	2.8
390.52762	1.4
468.86789	1.3
483.07861	12.5
673.21362	98.4
674.22186	11.0
702.25977	1.6
737.26044	3.0
759.31750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22757	0.4
61.98837	100.0
67.37830	0.3
73.90107	0.4
207.72821	0.4
386.45480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35131	0.2
59.01385	0.7
61.98834	100.0
71.01406	0.5
71.43583	0.2
73.02935	0.3
78.91917	0.3
80.91696	0.3
80.96500	0.2
87.00919	0.2
88.98793	0.3
90.61084	0.2
96.96015	0.3
101.02478	0.6
120.64973	0.2
126.99586	1.3
161.04584	0.2
203.69342	0.2
209.11865	1.5
211.13486	0.4
225.11438	0.4
289.18222	0.3
291.19812	0.4
629.79218	0.2
737.31213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
59.01681	0.2
59.02698	0.3
61.98835	100.0
65.54861	0.3
67.19277	0.3
68.32581	0.3
71.01400	0.7
72.17074	0.3
83.05036	0.3
89.02428	0.3
92.72316	0.3
98.21884	0.6
101.02482	0.4
121.10258	0.3
123.00887	0.3
125.09758	0.3
126.99586	0.3
163.11285	0.5
185.11900	0.5
209.11856	8.7
210.12242	0.8
211.13416	0.5
227.12984	1.2
235.08371	0.3
253.09338	1.0
256.46207	0.3
289.18115	0.4
290.18576	0.5
291.19724	6.0
527.29114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95933	0.3
52.69557	0.4
58.81098	0.3
59.01374	1.6
61.98837	100.0
66.95995	0.3
69.03507	0.3
69.31866	0.3
71.01393	0.8
71.41304	0.4
73.02980	0.4
75.29861	0.3
78.95937	0.4
82.95423	0.4
87.00937	0.4
89.02456	0.6
101.02460	0.7
113.02452	0.5
115.82410	0.3
163.11334	0.5
171.10341	0.6
199.13484	0.4
207.10269	1.5
209.11888	1.8
210.12259	0.5
211.13467	0.9
221.37099	0.4
225.11351	4.3
231.39145	0.4
235.08350	0.8
253.09398	0.9
277.21884	0.9
278.22021	0.4
289.18173	0.8
291.19632	0.8
293.21259	2.3
333.21814	0.4
350.68991	0.4
397.13647	0.6
398.13956	0.5
443.19327	0.5
461.20535	0.8
736.40552	0.6
737.41931	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	736.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
59.51340	0.4
61.98837	100.0
65.76067	0.5
69.30007	0.5
82.95425	0.5
90.85255	0.4
108.83591	0.5
151.17264	0.4
183.98926	0.4
207.10359	1.0
209.11880	3.7
211.13461	1.0
225.11446	1.4
247.85739	0.5
253.09290	0.9
291.19797	2.1
293.21271	1.0
428.61264	0.5
520.87128	0.5
736.39569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01383	1.8
61.98840	3.0
63.96240	1.7
66.16444	0.5
69.03472	1.0
71.01389	8.0
73.02959	2.3
78.98598	8.0
79.95742	17.2
80.96524	86.5
81.03461	1.5
83.05045	0.8
85.02970	2.9
87.00900	3.0
89.02476	0.5
94.98094	17.7
96.95988	0.9
97.02965	2.5
99.00921	0.8
101.02446	3.0
106.98096	3.7
113.02467	0.8
122.97582	4.2
123.07115	0.7
124.01699	0.7
125.02470	4.9
127.04031	0.9
134.97610	5.8
136.99178	1.1
142.33661	0.5
146.97636	0.8
148.99150	6.4
152.98650	6.7
163.11325	0.7
164.98647	14.4
169.01448	1.5
183.30420	0.5
197.11842	1.0
206.99710	3.6
209.11876	6.0
225.00771	25.0
226.01141	0.7
283.05038	1.2
300.99786	0.8
327.05594	0.6
352.17538	0.6
443.95837	0.6
509.17123	5.0
737.30670	100.0
738.31049	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	737.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17614	1.0
55.89062	1.1
59.01384	2.1
59.88484	1.0
60.37696	0.9
61.98835	100.0
76.49642	0.9
80.96518	1.4
83.05035	1.3
98.21854	3.1
102.39430	1.0
113.02481	1.2
129.06731	1.0
197.11794	4.4
205.67345	0.9
205.90273	1.0
208.66809	1.1
209.11864	11.9
211.13489	1.7
223.13431	5.8
223.68520	1.1
227.12816	3.1
229.02921	1.3
253.09293	1.5
291.19589	1.9
309.20712	1.8
321.81949	1.1
327.55594	1.1
352.08182	1.0
459.22485	1.8
734.58191	1.1
737.35364	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.0
60.99306	0.6
61.98836	100.0
62.36717	0.4
62.98531	1.5
63.99262	0.6
68.84279	0.5
69.03457	0.5
70.75523	0.6
71.01400	1.6
73.02956	1.0
79.95741	0.5
80.96533	1.4
81.88460	0.4
82.70507	0.4
83.05039	2.1
84.02174	0.5
87.00877	1.5
88.98837	0.8
89.02444	1.1
96.28949	0.5
96.96018	0.7
97.02981	0.7
101.02450	1.7
103.01501	0.4
116.92887	0.7
117.92916	0.7
123.00935	0.6
123.80695	0.4
125.02435	0.8
161.04646	0.6
163.11328	1.5
165.12886	1.1
167.70468	0.4
169.01436	1.2
169.02791	0.5
169.12363	5.7
171.10333	1.5
199.13507	0.5
209.11853	43.2
210.12082	2.6
211.13588	0.5
213.54620	0.5
225.11423	0.6
227.12878	6.1
227.14993	0.6
227.36900	0.4
235.08298	0.8
253.09325	2.7
275.01959	0.5
300.99957	1.4
302.63406	0.4
369.11963	1.0
442.34787	0.5
445.20721	2.0
456.25412	0.5
569.26135	0.5
737.29175	1.2
738.28894	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	737.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80860	2.7
58.42654	2.3
59.01385	44.9
60.73850	2.4
61.98810	3.2
71.01388	26.0
73.02955	4.9
83.01371	3.8
85.02955	6.4
87.00885	3.5
89.02444	22.2
97.02976	3.9
100.37414	2.5
101.02460	20.3
106.24508	2.5
113.02469	9.2
118.95695	2.6
119.03461	6.9
125.02430	9.1
143.03535	3.6
161.04552	5.1
175.43159	2.6
179.05548	7.2
215.79660	3.5
226.05299	3.1
235.08266	11.3
259.21698	2.5
279.23315	84.9
280.23611	4.0
305.08878	5.7
319.79660	2.6
351.29343	2.5
397.13531	100.0
398.13992	5.7
415.14575	36.2
440.98373	2.6
508.62350	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
59.01382	8.4
61.98853	5.7
63.15238	0.9
69.03466	4.1
71.01382	4.5
71.05005	1.7
71.43633	0.8
77.16762	0.8
78.95908	1.6
81.03448	1.0
83.01390	1.0
85.02940	2.3
89.02448	2.2
97.03007	1.0
97.32297	0.8
101.02450	2.5
106.17983	0.9
113.02443	1.8
123.08168	1.4
125.09734	2.0
128.21805	0.8
149.09705	0.9
151.11304	2.5
153.12747	0.9
161.04561	1.4
161.09741	4.2
169.12459	1.0
179.10788	9.0
197.11841	45.1
198.12231	1.8
207.10307	2.8
209.11893	1.2
211.13457	1.3
223.09758	2.0
225.11351	4.7
235.08275	1.3
241.10870	2.5
241.87959	1.1
253.09276	2.7
275.01959	1.1
277.21741	55.8
278.22092	2.5
281.13947	0.9
291.19806	1.0
293.21268	3.3
394.77594	0.9
459.18716	1.3
461.20169	1.2
477.19678	1.3
542.84937	0.9
737.41248	100.0
738.41376	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	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01384	7.0
61.98823	8.9
69.03447	4.0
69.90434	3.6
71.01392	6.0
71.05012	2.5
78.66615	1.0
78.95918	2.6
85.02961	2.1
89.02431	3.1
101.02448	4.2
109.62778	1.2
113.02455	1.4
119.03464	1.3
123.08153	1.3
125.09688	2.0
149.07919	1.1
153.12900	2.3
159.55815	1.3
161.09721	4.3
169.12288	1.6
179.10791	6.9
182.38091	1.2
197.11841	83.5
198.12225	3.7
205.08667	1.5
209.11835	1.7
223.09711	1.8
227.12669	1.3
235.08308	2.2
241.10838	4.2
253.09300	5.0
269.59616	1.1
277.21771	28.7
278.22037	1.6
291.19662	1.8
293.21231	1.6
300.99936	2.0
367.17722	1.3
459.18637	1.6
477.19693	3.2
737.41254	100.0
738.41644	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08456	0.3
56.32677	0.3
56.66870	0.3
57.03439	1.3
59.01385	6.9
61.98831	0.7
71.01383	3.9
73.02934	1.3
78.88793	0.4
80.02691	1.2
80.56631	0.4
81.03466	1.4
81.45687	0.3
83.01383	0.4
83.05036	4.6
84.02177	0.9
85.02943	1.0
87.00890	1.1
89.02433	2.6
91.85636	0.3
95.05038	1.0
97.02985	0.9
97.06622	0.5
99.41864	0.3
101.02440	4.0
109.06599	4.4
111.08167	6.9
113.02473	2.2
113.09779	0.3
117.33048	0.3
119.03456	0.9
121.06583	0.5
123.10979	0.3
123.68401	0.3
125.02380	0.4
135.08163	0.9
135.11781	0.3
137.09705	0.7
145.05061	0.7
149.09700	0.5
161.04549	1.7
163.11310	5.2
165.12799	1.9
167.10799	1.3
171.10297	0.9
177.12862	1.9
179.05589	0.7
179.10789	1.5
181.12337	1.0
189.09315	0.4
191.10774	0.9
195.13928	6.7
207.10274	10.2
209.11842	80.2
210.12175	2.9
211.13391	0.4
212.41940	0.3
223.13338	0.8
225.11336	5.1
227.12898	12.6
229.18985	0.4
235.08249	3.6
247.20677	1.9
253.09302	10.7
254.09604	0.4
273.18552	1.0
275.20190	0.8
291.19678	100.0
292.20023	5.0
293.21262	10.7
297.84677	0.4
329.20935	0.7
353.81973	0.4
443.19199	1.0
445.20822	0.5
461.20480	1.1
485.98999	0.4
501.32397	0.6
509.27737	0.6
527.28772	6.1
528.29279	0.6
646.95251	0.4
719.40369	1.3
737.41089	4.6
738.41724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.76310	0.5
59.01382	12.9
59.39073	0.5
61.00608	0.5
61.98830	0.7
69.03459	1.0
70.75206	0.7
71.01388	5.4
73.02950	2.0
80.02684	1.1
81.03471	2.1
83.01398	1.3
83.05032	2.8
85.02968	1.6
87.00870	1.0
89.02452	3.4
91.04014	0.6
92.95201	0.5
95.01383	0.6
95.05008	0.9
97.02963	6.1
99.00891	1.1
101.02457	7.1
106.04223	0.6
109.06599	28.2
110.03748	2.3
111.00920	0.6
111.04516	0.6
111.08147	1.1
113.02460	2.5
113.09747	0.8
113.33685	0.5
119.03530	0.7
121.06610	2.1
123.04523	2.2
125.02390	1.0
125.09772	0.7
135.08163	2.4
136.05309	1.2
142.02791	0.7
143.03476	0.5
145.05038	1.1
161.04581	1.3
161.09732	1.8
163.11302	13.4
164.11703	0.6
167.10864	0.5
171.10249	1.9
177.45677	0.5
179.05650	0.9
179.10875	1.3
179.14365	0.8
181.12378	3.4
189.09222	2.1
191.10774	0.7
195.13934	9.4
196.14587	1.3
205.12369	0.8
205.15970	0.5
207.10275	78.4
208.10571	3.4
209.11848	12.5
210.12329	0.6
211.13399	2.4
223.13380	5.4
225.11337	28.1
226.11731	1.7
227.12906	1.9
235.08238	3.1
253.09300	22.4
254.09584	0.8
256.13190	1.6
275.20154	7.7
276.20630	0.6
281.13773	0.7
289.18253	0.7
291.19641	10.0
293.21246	100.0
294.21588	5.5
299.15112	1.4
303.78949	0.6
307.19223	0.6
331.15588	0.7
340.86041	0.5
432.59372	0.6
439.32452	0.9
443.19223	4.0
444.18964	0.6
461.20389	8.1
462.20508	0.7
483.31348	0.9
529.30341	1.5
639.34265	0.9
719.40228	2.2
737.41217	30.9
738.41730	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01816	0.2
59.01388	14.8
64.39822	0.2
66.11891	0.2
78.08202	0.2
81.03472	4.7
82.06625	0.6
83.05039	14.4
86.64639	0.2
96.96030	0.5
97.17318	0.2
100.07703	0.3
107.06181	0.3
108.04546	0.7
111.25060	0.2
125.07232	0.7
126.05587	0.3
143.08284	0.3
169.01436	0.3
207.15138	1.1
224.17674	2.7
225.16109	12.2
226.16600	0.3
235.06578	0.2
242.18736	0.7
262.69507	0.2
270.11688	0.2
309.21817	0.6
324.26584	0.6
333.22934	0.6
341.29166	0.9
351.24237	0.2
367.27252	1.3
433.31848	1.0
450.34634	1.2
451.32947	6.9
452.33075	0.5
461.27795	0.3
471.31155	0.8
515.30493	1.4
516.30328	0.4
550.43237	1.2
557.31390	0.7
559.40295	0.3
565.44812	0.5
567.46307	0.2
593.43707	0.3
659.48785	1.7
677.49744	100.0
678.50049	16.2
737.23730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84902	1.1
59.01380	7.6
61.98825	2.8
62.66385	1.1
70.49709	2.0
70.70111	1.1
71.01389	2.7
73.02961	1.5
79.01897	1.3
80.96499	1.5
81.03487	1.7
87.00883	5.8
95.01379	3.3
96.96043	1.8
97.02959	2.1
100.40900	1.2
101.02447	2.2
103.66511	1.3
107.01401	5.7
111.00909	1.8
113.02430	2.0
123.00897	9.5
124.01673	9.1
125.02464	31.8
125.19032	1.2
136.52145	1.3
136.98839	1.4
139.00349	2.9
140.01189	2.5
141.01895	1.9
151.00356	4.7
166.99826	1.2
168.00655	5.4
169.01443	39.2
185.61813	1.1
190.02573	1.8
191.03612	1.1
199.45004	1.1
203.03537	1.5
209.11800	1.4
225.11310	1.1
240.64394	1.3
267.72845	1.1
275.02069	2.8
300.99994	8.4
302.00290	4.8
313.05542	1.7
337.11057	1.6
348.00671	1.2
357.85968	1.2
411.64182	1.3
471.88663	1.2
481.97644	1.3
505.20956	7.9
523.22009	10.2
597.90204	1.4
675.22968	100.0
676.23132	7.5
738.26862	2.6
739.14056	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	738.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49163	0.2
59.01382	1.0
61.98835	100.0
65.44355	0.2
68.90039	0.2
70.50150	0.2
71.01388	0.6
79.79448	0.2
79.95759	0.4
80.91692	0.3
80.96549	0.7
83.90642	0.3
89.02490	0.2
93.44881	0.3
96.96004	0.2
111.20055	0.2
125.02504	0.3
171.10231	0.3
209.11850	0.6
213.97263	0.3
223.13443	0.4
225.11424	0.3
261.81259	0.3
376.82419	0.3
665.59601	0.3
738.31238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98835	100.0
68.84335	0.2
71.01388	0.3
89.02431	0.2
89.03979	0.2
96.29327	0.2
97.00555	0.2
112.51577	0.2
113.43725	0.2
119.97443	0.2
142.43652	0.2
162.18672	0.3
574.45947	0.3
586.71533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11860	0.1
59.01387	0.5
61.98836	100.0
63.99262	0.1
71.01395	0.5
71.30370	0.1
73.28535	0.1
78.09158	0.1
82.95424	0.3
84.95116	0.1
85.00430	0.4
87.00912	0.1
89.02480	0.3
97.02964	0.1
101.02459	0.3
109.06630	0.1
149.65918	0.1
163.11349	0.1
171.10292	0.1
207.10281	0.5
208.10600	0.1
209.11874	1.3
210.12277	0.1
211.13503	0.3
225.11270	0.6
226.11716	0.2
227.12971	0.4
227.84737	0.1
230.47528	0.1
253.09340	0.3
255.09990	0.1
275.20306	0.2
277.21854	0.3
278.22141	0.3
280.22598	0.1
291.19815	0.3
292.20135	0.1
293.21262	0.7
294.21652	0.3
398.13879	0.2
399.14233	0.5
400.14224	0.1
417.14944	0.1
448.60806	0.1
738.41815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.9
59.01379	3.8
62.25550	0.9
62.93832	0.9
63.81797	0.8
70.50542	1.1
70.50858	1.1
71.01379	2.5
95.32528	1.0
96.96010	2.3
97.14787	0.9
101.02464	1.0
113.02444	4.0
119.25585	0.9
125.02439	0.9
130.04388	0.9
161.04521	2.3
201.44305	1.0
300.99960	4.2
333.51572	0.9
339.67514	1.0
489.32248	79.3
490.32779	5.6
503.33612	1.0
527.29736	2.1
533.31226	100.0
534.31262	6.6
547.32971	3.6
575.32257	42.6
576.32544	2.7
605.33038	6.8
635.34283	7.3
695.36389	40.6
696.36829	4.1
709.15588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53796	1.2
57.03443	1.3
59.01381	12.6
61.98833	3.2
63.96248	2.2
64.44458	1.1
67.01907	2.3
69.03468	4.0
71.01388	17.7
73.02950	5.6
73.18420	1.2
78.98582	8.2
79.01913	3.1
79.95745	21.3
80.96526	97.7
80.98178	2.2
81.03454	3.5
81.95309	4.0
81.96476	2.3
82.96111	19.0
82.96958	3.8
83.01398	1.6
85.02950	6.0
87.00891	6.1
88.98840	1.5
89.02429	3.2
94.18785	1.1
94.36601	1.0
94.98093	18.0
95.01402	9.0
96.96017	2.5
96.97651	3.9
97.02954	5.7
98.21855	4.0
99.00885	2.0
99.96400	1.1
101.02458	6.6
103.04049	1.2
106.79736	1.0
106.98109	3.9
107.01403	23.0
111.00875	2.7
113.02454	2.8
119.03515	1.4
122.97614	4.5
123.00905	25.5
124.01675	25.3
125.02462	100.0
126.02812	1.8
127.00449	1.4
133.70819	1.1
134.97594	6.5
136.97156	1.7
136.99081	2.1
139.00415	5.8
140.01147	3.6
141.01913	3.4
143.03526	2.8
147.04465	1.5
148.99092	8.2
150.98689	2.0
151.00433	7.4
152.98669	8.0
154.98145	2.2
161.02380	1.1
163.04083	1.3
163.06107	3.3
164.98637	14.4
165.98891	2.3
166.98241	3.0
166.99936	6.0
168.00642	9.9
169.01439	91.5
170.01740	2.0
171.10294	3.0
175.04083	1.9
177.01808	1.3
205.07202	1.3
206.99664	2.6
209.11862	9.1
210.12271	2.0
211.02429	1.8
225.00761	28.1
226.01129	5.9
227.00308	7.2
247.08296	1.7
249.04054	1.9
253.09404	1.2
299.99222	1.2
392.26535	1.3
399.11130	2.7
417.12003	8.0
435.13034	16.8
473.54486	1.3
509.17126	2.0
510.17371	2.9
511.17123	2.6
569.13019	22.1
587.14124	39.7
588.14667	3.6
646.74060	1.3
675.89148	1.4
738.30994	84.2
739.15247	86.2
739.30896	96.6
739.42236	3.4
740.15808	7.4
740.27698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
59.01382	18.8
61.98817	2.1
65.00343	1.1
67.01891	2.2
69.03471	4.5
70.96804	0.7
71.01389	8.5
71.42719	0.8
73.02949	2.3
78.01118	1.4
79.01918	2.5
80.96501	1.1
81.03467	3.6
83.01411	2.1
85.02948	2.3
87.00893	2.7
88.98811	1.5
89.02442	6.3
91.78265	0.8
95.01409	8.1
96.96029	2.9
97.02970	3.9
99.00888	1.5
99.04538	1.1
101.02468	6.9
107.01398	12.7
109.02934	1.1
111.00877	4.3
113.02457	4.1
114.63577	0.8
115.04032	1.6
116.92867	1.5
119.03474	2.3
121.02998	1.0
123.00899	29.4
123.04613	1.0
124.01681	18.7
125.02454	100.0
126.02778	2.2
135.04533	1.9
136.98871	2.5
137.02417	1.0
139.00401	5.3
140.01175	5.9
141.01961	4.0
143.03563	1.1
147.04605	1.3
149.02396	0.8
151.00403	7.7
153.01921	1.1
156.33337	0.7
163.04051	1.2
165.01912	1.1
166.99869	5.8
167.03458	1.3
168.00645	12.3
169.01439	95.1
170.01740	2.5
171.10329	1.4
178.02707	0.9
179.03560	1.2
179.05641	0.9
181.01457	0.9
185.45789	0.9
193.01476	2.5
193.15903	1.1
199.13411	1.2
201.11276	5.0
205.01454	1.1
207.03146	0.8
207.10315	1.3
209.11884	8.1
210.12242	0.7
211.02493	16.8
225.11206	2.2
227.12782	0.8
237.15108	0.8
253.09314	1.2
271.04605	9.6
275.01935	1.3
295.04565	1.6
300.99841	1.2
301.18179	1.1
312.15918	0.9
313.05624	3.6
341.23358	3.1
379.57886	0.9
399.11035	1.6
401.12497	2.1
415.14600	1.1
417.11911	8.7
418.11960	1.0
435.12982	10.7
483.07779	2.5
517.18622	1.4
569.13037	22.7
569.21875	1.7
570.13342	1.3
587.14325	51.6
587.23419	9.4
588.14337	2.5
635.37781	3.3
707.35358	6.8
721.23212	4.1
739.15063	48.3
739.25177	24.0
740.15540	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	739.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.96685	0.4
57.03442	2.0
59.01367	1.4
71.01374	1.8
72.99308	1.6
83.01380	1.3
89.02460	0.5
94.12496	0.4
99.00890	26.5
101.02459	3.9
115.00378	0.8
117.01945	9.8
119.05035	8.8
123.00890	1.4
124.01671	1.0
125.02464	4.0
133.01460	3.4
133.02951	0.6
135.04538	1.3
145.01440	100.0
146.01764	1.6
163.02509	15.0
163.04022	11.2
168.00636	1.5
169.01424	5.1
179.03531	1.7
211.02483	7.5
212.02957	0.4
235.78842	0.4
249.03629	0.5
269.11307	0.4
271.04578	9.1
285.65347	0.5
301.00003	0.8
309.06195	16.1
310.06708	0.5
331.06659	0.8
361.62149	0.6
429.10419	12.1
430.10654	0.7
692.72070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.3
60.99287	1.5
61.98807	4.9
67.01900	1.3
69.03451	1.3
69.50280	2.3
69.50648	4.1
71.01380	14.6
72.99285	1.3
73.02925	2.5
78.13296	1.2
79.95728	1.3
80.96531	5.5
81.03455	3.2
83.01382	2.3
84.02140	1.2
85.02926	3.7
87.00879	2.7
88.98817	9.0
89.02440	7.7
95.01390	2.6
97.02920	2.5
98.21983	2.3
99.04453	2.2
101.02446	8.5
107.01405	8.3
113.02419	3.8
115.03994	2.4
116.92876	1.7
119.03483	2.1
123.00284	0.9
123.00911	9.4
124.01675	12.8
125.02460	61.5
139.00319	1.9
140.01089	2.5
141.01962	1.2
147.60925	1.0
148.99016	1.1
151.00352	3.5
152.98531	1.1
153.01875	1.2
163.03841	1.1
163.06137	1.4
166.99792	1.3
168.00627	6.8
169.01433	77.2
170.01651	1.5
171.10277	2.2
193.01353	1.5
193.15903	1.4
201.11249	2.3
207.10396	1.9
209.11798	7.3
211.02502	16.4
227.12794	1.3
237.14995	1.6
255.16281	1.3
271.04596	10.3
273.00391	2.0
273.17050	1.9
275.01877	1.3
300.99762	1.4
313.05676	3.1
404.62216	1.4
449.09506	1.2
481.05939	1.1
483.07809	1.7
528.20917	1.2
587.23535	11.2
619.37970	3.1
739.24371	100.0
740.24939	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	739.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01386	16.4
60.99295	3.3
61.98825	0.8
69.03453	0.7
71.01389	9.3
72.50114	0.6
73.02943	1.5
79.01868	1.4
80.96524	0.7
81.03458	2.0
83.01375	1.6
85.02956	3.1
87.00876	1.0
88.98810	25.8
89.02448	6.8
95.01370	2.3
97.02967	1.5
99.04520	2.2
101.02452	8.1
107.01401	6.6
107.88864	0.7
111.00872	0.8
113.02480	3.6
115.04009	1.5
119.03505	3.2
123.00906	6.0
124.01678	8.5
125.02457	47.7
126.02790	0.8
134.25116	0.6
136.98834	1.1
139.00363	1.1
139.03978	0.8
140.01186	1.1
143.03574	0.7
151.00374	2.0
151.03854	0.7
167.03444	1.1
168.00632	5.4
169.01437	57.8
170.01790	1.0
183.02867	0.9
193.01483	1.3
193.16039	3.2
194.42061	0.7
211.02510	16.2
236.72549	0.6
237.14914	1.1
241.03542	0.6
253.03618	0.8
271.04590	14.0
295.04541	1.0
313.05505	3.0
331.06470	0.8
391.79404	0.9
483.07645	3.5
569.22485	1.4
587.23499	21.0
588.23737	1.8
688.21613	0.8
721.23596	1.5
739.24554	100.0
740.24902	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	739.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
65.06089	1.7
69.33843	1.4
71.01388	37.7
73.02972	1.5
83.01422	3.3
84.45097	2.1
85.02949	4.5
85.63199	1.7
86.66941	1.6
87.00861	1.8
89.02457	54.8
92.32222	1.4
96.96021	45.5
101.02489	8.2
113.02451	13.0
119.03524	3.2
125.02452	4.3
131.03517	11.3
134.50050	1.6
149.04590	25.8
161.04611	2.4
169.01433	3.5
253.39729	1.5
255.10263	4.9
273.00333	1.9
283.09766	17.9
295.09613	3.9
296.10617	3.8
298.11993	2.7
300.99887	2.3
311.09305	55.4
312.09653	3.1
325.10751	3.2
326.11591	47.8
327.11890	3.9
341.13953	85.7
342.14285	6.8
447.23950	1.6
469.29556	27.4
473.32584	3.4
487.30447	8.6
511.30167	1.9
517.31726	52.1
593.22595	3.3
655.79877	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	739.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92220	0.4
59.01383	100.0
59.96546	0.4
60.01717	0.8
64.78842	0.4
69.03471	1.0
69.61029	1.7
71.01385	21.0
72.99317	0.8
73.02952	54.4
74.03279	0.6
75.00882	0.5
80.04713	0.3
81.03490	0.5
83.01390	11.8
85.02959	3.0
85.25980	0.4
87.00881	0.5
88.31337	0.4
89.02449	6.5
95.01392	1.6
97.02953	1.1
99.04528	0.6
101.02449	41.0
102.02755	0.5
113.02457	14.5
113.03258	0.7
119.03516	5.3
125.02444	1.9
131.03516	4.1
143.03537	4.1
149.03506	0.5
149.04575	7.5
150.93364	0.4
155.03452	1.4
161.04576	14.8
162.04808	0.6
179.05582	0.4
203.05524	1.7
221.06670	3.2
265.84891	0.4
393.58252	0.4
508.98294	0.5
517.31219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	34.0
60.15915	0.8
66.15974	0.7
69.03457	0.9
69.46159	1.4
69.46503	3.7
71.01391	8.3
73.02965	5.0
78.39690	0.8
85.02962	3.0
87.00910	0.8
88.98790	0.9
89.02426	4.1
90.64925	0.7
96.96017	2.7
97.02880	0.7
97.06622	1.0
101.02478	5.1
113.02447	2.5
125.02434	1.8
128.74286	0.8
131.03546	0.9
135.04500	0.7
141.94016	0.7
158.52153	0.7
161.02499	3.7
161.04549	0.8
169.01410	1.8
179.05661	1.1
187.11264	1.2
282.09116	0.9
293.08655	0.9
295.09921	0.8
306.05264	0.8
311.09177	1.8
326.11578	2.6
327.12207	2.0
341.13882	2.9
355.11655	1.0
455.13370	1.0
469.29272	2.2
470.15637	1.0
485.18198	9.6
488.16467	1.5
499.30707	1.8
503.19318	11.8
517.31750	100.0
518.32074	1.3
531.33002	1.1
545.20355	26.2
546.20618	1.7
559.32507	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	739.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03461	1.3
59.01385	38.8
61.98840	3.2
67.01889	2.2
68.99857	1.3
69.03467	2.4
71.01388	18.2
73.02963	3.6
75.00874	2.2
79.01902	1.2
81.03452	4.8
82.95447	1.4
83.01402	3.2
84.02164	1.2
85.02961	6.3
87.00890	5.1
88.98817	3.8
89.02449	13.5
95.01395	8.5
96.96013	4.0
97.02960	5.2
97.06609	0.8
99.04561	2.8
100.41333	1.0
101.02454	13.6
107.01407	13.1
109.02975	1.2
110.00102	1.3
111.00915	2.0
111.96029	0.7
113.02455	7.3
115.04014	2.7
116.92909	1.7
119.03527	5.5
119.05064	1.0
121.03006	0.9
123.00904	23.9
124.01687	16.6
125.02464	93.2
125.76846	0.8
126.02809	3.3
126.90437	1.0
128.90236	1.3
131.03517	1.4
135.04529	1.3
136.98779	2.0
137.02547	0.9
139.00394	6.3
139.03966	0.8
140.01190	4.3
141.01927	2.5
143.03473	2.0
145.02953	1.0
147.04549	0.8
149.02461	1.8
151.00375	9.7
151.84062	0.8
152.00967	0.9
153.01924	1.6
161.02345	1.2
161.04619	1.4
163.06171	2.2
165.01956	1.7
165.05615	0.9
166.99892	3.9
167.03534	1.7
168.00645	12.7
169.01443	100.0
170.01799	4.1
171.10327	3.9
177.02008	1.2
179.03508	1.4
181.01553	1.1
183.02902	0.8
193.01430	5.2
193.05031	0.9
193.12379	0.9
193.15994	3.4
199.13368	1.0
201.11310	4.4
203.03510	1.1
207.10327	1.0
209.11824	3.9
211.02501	29.0
212.02797	1.2
225.11360	1.3
225.14951	1.8
226.95996	0.9
237.15007	1.5
241.03537	2.2
247.08298	1.1
258.98529	0.9
271.04639	22.1
272.05051	1.5
291.79221	0.8
295.04651	1.4
300.99942	1.8
302.00031	1.0
313.05655	5.8
341.23315	18.0
342.75848	0.9
369.11893	0.9
397.13852	1.4
399.10855	1.6
401.12061	1.0
415.14410	4.5
417.11996	5.4
435.12985	8.0
465.06909	1.8
483.07883	7.6
569.13214	13.9
570.13507	2.3
587.14063	31.8
587.23541	20.5
588.14453	4.5
588.23676	2.1
621.43475	0.9
635.38239	5.0
653.39404	2.0
695.40100	1.0
707.34973	4.0
721.23566	9.0
722.24915	1.2
739.14563	23.3
739.24799	63.6
739.42230	4.2
740.12909	4.8
740.26624	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03453	0.9
59.01384	100.0
71.01388	10.0
73.02960	4.6
73.64776	0.5
80.14391	0.5
83.01413	2.1
84.43218	0.5
84.45487	0.4
85.02957	5.2
85.97138	0.4
87.00905	0.6
89.02471	0.9
90.77565	0.5
95.01397	0.6
97.03003	0.7
98.21811	1.1
99.00889	1.5
101.02450	9.8
113.02455	4.5
123.00906	1.4
124.01687	1.2
125.02451	3.7
143.03531	0.8
145.01462	1.4
151.00410	1.0
156.79974	0.5
159.03027	1.4
161.04604	5.7
166.06380	3.9
168.00789	0.6
169.01422	3.1
181.08698	4.3
205.03584	1.1
219.07794	0.7
235.08380	1.1
235.11885	22.4
275.02151	0.9
275.86450	0.6
277.12906	9.1
301.00012	1.2
416.12759	0.6
417.13885	6.2
739.14001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21636	1.6
55.01891	2.1
57.03449	6.2
59.01384	97.0
61.98843	12.3
69.03449	2.4
71.01390	36.4
73.02952	14.9
75.00877	2.5
83.01403	5.1
84.31059	2.2
85.02956	26.0
87.00893	3.1
88.98830	3.9
89.02453	11.7
95.01412	5.7
96.75139	1.8
96.96030	3.2
97.02970	2.0
97.06628	2.1
97.97924	1.7
99.00893	2.5
101.02452	14.7
105.52512	2.0
107.05025	2.2
111.00908	2.5
113.02456	23.2
116.92841	3.7
119.03535	3.3
124.01655	2.6
125.02462	6.9
125.06091	2.6
136.84073	1.7
142.20485	1.7
143.03493	2.4
161.04620	3.2
163.06184	2.3
169.01439	5.5
238.18208	1.8
283.17032	3.3
300.48471	1.7
300.99933	3.3
301.18204	10.0
301.21533	2.1
304.76212	1.8
319.19138	5.4
347.22046	1.9
348.82050	1.8
392.47171	2.2
467.23483	2.2
473.32684	8.4
491.34109	8.7
505.18942	4.0
517.18640	8.2
517.31378	3.0
518.19043	3.9
613.00220	2.1
617.36914	8.3
618.37378	2.6
635.37958	100.0
636.38129	16.6
653.38965	21.9
654.39197	4.4
695.40247	12.9
696.40118	2.8
739.42377	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	739.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01384	9.5
60.99310	16.6
61.98832	11.7
62.07162	0.5
63.99265	0.7
71.01383	5.4
72.99326	0.7
73.02953	1.9
75.00882	0.6
80.96505	1.0
85.02955	1.6
87.00886	2.7
88.98813	100.0
89.02454	14.5
89.99111	0.8
93.29703	0.5
95.01395	1.3
97.02975	0.8
98.22643	1.3
101.02448	3.6
107.01383	2.5
113.02442	2.5
115.04012	0.8
119.03497	1.1
123.00900	3.5
124.01685	2.9
125.02455	18.4
140.01202	0.7
143.03557	0.9
147.89566	0.6
151.00369	1.6
163.06102	0.9
168.00620	2.5
169.01440	24.8
170.01807	0.9
171.10300	1.0
189.18195	0.6
193.15976	1.3
201.11214	0.9
209.11819	2.5
211.02505	5.7
225.11292	0.7
271.04593	4.6
276.90768	0.6
313.05664	1.3
483.07748	0.9
587.23499	5.2
588.23785	1.0
685.31177	0.7
739.24316	33.1
739.42847	1.0
740.24683	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	739.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45085	0.8
59.01383	10.7
63.18727	0.8
71.01381	4.7
84.68497	0.8
85.02934	1.1
89.02455	2.7
95.01402	0.9
96.96014	9.9
101.02410	2.1
113.02457	4.6
125.02435	3.4
149.04639	1.1
161.04585	2.1
166.05093	2.0
169.01447	1.5
246.00038	0.9
300.99939	2.0
326.11523	1.1
341.13956	1.8
385.00342	0.9
393.62595	0.8
432.35687	0.8
469.29504	4.0
473.32767	78.9
474.33069	7.4
517.31763	100.0
518.31958	9.1
531.33221	4.7
559.23987	1.9
559.32770	38.3
560.32874	3.3
589.33862	4.7
619.34863	4.8
679.26086	1.6
679.37109	22.7
680.37189	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	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41553	0.4
59.01374	4.9
70.47643	0.9
71.01378	4.3
71.45590	0.4
72.99316	0.5
73.02953	1.1
80.02676	1.1
81.03458	1.7
83.01418	0.7
83.05034	3.5
85.00433	0.5
85.02974	0.7
87.00891	0.7
89.02464	3.2
95.05032	0.4
96.95969	0.5
98.32888	0.5
101.02448	3.4
111.08205	0.9
113.02440	1.9
119.03450	0.7
122.52095	0.5
131.58855	0.4
135.08144	0.6
161.04562	1.7
163.11305	3.7
165.12820	1.6
171.10265	1.2
179.14366	0.7
181.12334	0.6
183.81108	0.4
191.10757	1.0
195.13939	7.4
196.14629	1.4
205.12387	1.0
209.11847	100.0
210.12193	3.4
211.13440	1.5
223.13441	5.2
224.13872	0.7
227.12932	11.9
228.13583	0.6
235.08212	1.5
253.09311	16.9
256.13263	0.9
275.20190	7.6
293.21255	88.1
294.21640	4.1
314.14105	0.4
419.18539	0.5
445.21100	0.5
485.32843	0.7
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
58.73074	0.3
61.98836	100.0
62.16783	0.2
63.61969	0.2
73.52288	0.2
81.83466	0.2
90.58810	0.3
125.02493	0.3
249.76913	0.3
283.87570	0.3
399.14075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01737	0.1
57.75273	0.1
59.01384	0.9
60.01696	0.2
60.42014	0.1
61.98833	100.0
68.26368	0.1
80.48312	0.2
81.03471	0.2
83.05050	0.4
84.05395	0.2
98.22732	0.2
125.02402	0.1
135.72119	0.1
139.10440	0.1
201.05640	0.1
225.16058	0.2
287.06155	0.1
485.95450	0.2
588.52985	0.1
604.06946	0.2
616.51343	0.2
678.50079	0.4
679.50397	2.0
680.50641	3.3
688.20917	0.2
740.49023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40515	0.6
60.75305	0.6
61.98841	1.1
69.70336	0.6
69.77686	1.7
69.78034	0.7
75.00908	0.6
77.03561	0.6
77.03970	2.4
96.82340	0.6
109.51057	0.6
110.73007	0.6
112.68969	0.6
121.02972	100.0
122.03320	1.8
165.01950	77.9
166.02286	1.1
181.06618	2.5
191.03519	2.0
209.11859	0.8
225.05585	2.1
313.07254	2.0
357.06183	11.8
358.06448	1.0
477.47501	0.6
547.20197	0.9
741.02100	1.1
741.14459	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	741.1893
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
59.01390	0.8
70.61790	0.7
70.62119	0.8
83.01407	0.6
101.05717	0.6
107.01422	1.9
108.02183	1.6
121.02983	1.2
121.47575	0.5
124.18687	0.5
125.02503	1.1
136.01697	0.6
148.01689	1.4
151.00409	5.3
163.00342	0.9
169.01427	2.0
173.74059	0.6
178.99852	4.5
183.04646	0.8
187.04260	0.7
213.53955	0.5
222.10992	0.6
226.02727	1.5
227.03488	2.7
239.05554	0.7
243.02998	9.4
254.02249	2.3
255.02992	27.7
256.03531	1.1
271.02490	59.3
272.03003	4.1
299.02002	2.1
300.02774	100.0
300.99960	1.3
301.03394	11.4
313.95325	0.6
319.41248	0.5
334.01797	0.6
450.33945	0.6
591.13617	0.7
679.15784	1.3
741.18909	64.3
742.19128	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	741.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01386	21.4
61.98840	7.9
69.00938	2.1
69.03455	1.6
70.56958	1.3
71.01387	100.0
72.01700	1.8
72.45138	1.4
73.02955	4.9
79.31257	1.8
80.91662	1.7
81.03466	6.9
83.01393	2.4
83.05041	9.4
85.02962	3.4
87.00890	4.8
89.02455	5.9
91.19837	1.5
95.05032	2.9
97.02953	9.5
97.06564	3.0
99.00895	3.3
101.02444	8.9
107.05041	1.7
109.05898	3.2
109.06604	48.1
110.03754	5.4
113.02431	4.3
121.06589	3.7
125.02475	2.3
125.06025	1.7
125.09700	6.2
135.08142	7.2
142.02721	2.0
145.05116	1.8
151.11307	2.1
151.98824	1.7
155.10835	2.5
161.04546	3.3
161.09738	4.8
163.11305	26.5
164.11600	2.0
169.01369	2.6
171.10287	14.2
179.10796	4.3
181.12398	10.2
185.11855	4.1
189.09140	2.7
195.10287	2.2
197.11824	4.0
199.09718	4.8
201.11322	6.2
205.08714	5.3
207.10286	99.9
208.10696	2.9
209.11852	38.4
210.12033	1.7
213.11259	2.8
215.12764	2.2
223.09778	10.7
225.11330	60.9
226.11659	3.9
227.12828	5.9
235.09752	2.9
243.12411	2.2
253.09221	16.9
299.15067	2.3
461.20285	10.6
515.21448	1.8
578.03198	1.6
669.31818	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	741.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
59.01384	41.0
61.98837	20.3
71.01385	20.2
71.05049	2.0
72.99335	3.0
73.02955	9.4
75.00880	2.1
80.96515	2.7
81.03535	2.3
83.01388	2.6
83.05009	4.2
85.02961	5.7
87.00880	5.5
88.98805	5.5
89.02468	9.2
96.95985	2.1
97.02987	1.8
101.02463	13.1
103.01461	2.1
103.04056	2.3
109.06599	2.5
111.00867	2.6
111.04528	4.7
113.02453	6.1
116.92883	3.6
117.03442	1.7
119.03519	6.3
123.00860	2.3
125.02451	5.4
125.06097	2.2
125.09711	4.3
131.03467	2.5
133.02914	4.1
134.03821	1.9
135.04532	45.5
143.03531	2.2
151.11278	1.6
161.04504	3.5
161.09715	3.7
163.06178	8.3
169.01451	4.3
171.10255	23.8
177.01974	2.6
179.03459	2.3
179.05632	2.8
179.10788	5.5
185.11813	2.9
195.10327	3.8
197.11836	4.1
199.09766	14.9
205.07097	4.3
205.08746	7.7
207.10329	3.4
209.11845	100.0
210.12268	4.5
213.11417	3.4
220.03809	1.9
223.09758	27.0
225.11353	5.6
227.12877	20.0
235.08273	5.4
247.08272	4.3
253.09271	12.2
300.99991	6.5
362.12143	1.9
417.21463	2.6
427.82971	2.4
435.18115	2.6
445.20667	3.7
459.18890	4.5
519.33472	2.7
609.29144	4.5
627.30023	8.3
633.29401	2.3
635.97992	1.8
645.31628	4.3
651.30389	8.4
665.29358	7.2
669.31390	18.4
687.32251	19.8
688.33777	3.3
715.50555	2.4
741.31787	4.8
741.44531	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	741.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.6
59.01378	20.6
61.98833	17.7
66.31483	2.2
69.03468	2.6
71.01382	14.4
71.42297	4.0
73.02955	2.6
80.91710	7.3
82.95428	25.8
85.00453	3.9
85.02953	4.4
89.02468	7.3
95.05035	2.8
96.96013	10.4
97.02935	20.1
97.06567	3.7
99.00912	2.4
101.02464	9.6
109.06628	6.2
113.02438	3.9
123.08141	4.5
125.09722	2.5
135.08145	3.1
161.04568	4.9
163.11296	9.0
171.10286	7.1
179.14336	3.6
183.13922	9.4
184.97310	2.5
195.10255	4.5
197.11862	8.9
205.12399	5.2
207.10301	14.6
209.11833	14.3
211.13417	90.9
217.90205	2.4
223.13420	94.8
223.15582	5.3
224.13905	2.6
225.11363	14.8
234.62535	2.3
235.08257	5.2
249.11404	4.3
253.09238	12.1
267.12363	6.1
300.99814	2.5
450.19003	2.4
461.20044	4.2
476.83951	2.8
482.92435	2.5
503.21039	4.2
655.33551	3.9
697.34485	100.0
698.34717	10.0
708.38733	2.8
741.33685	31.6
742.33801	3.6
762.32599	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	741.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16160	2.4
59.01366	5.8
61.98832	11.2
69.24826	4.8
69.25228	9.7
71.01366	3.0
78.02599	2.8
88.50156	2.4
98.21862	4.4
165.30043	2.7
175.04176	3.8
209.11856	100.0
227.12936	20.5
253.09277	6.0
278.40259	2.6
295.06137	4.8
321.07620	3.4
325.07233	3.2
341.10309	3.8
354.10736	3.2
355.11789	8.3
367.11871	12.6
416.94141	2.8
445.20380	8.0
514.68677	3.4
557.87256	3.0
741.34735	18.0
756.00061	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	741.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.9
61.98846	5.8
70.13187	1.0
71.01382	3.0
73.02910	1.1
74.24921	1.0
83.05026	2.3
89.02448	1.5
98.21874	2.0
101.02458	1.7
113.02470	1.3
122.53512	1.1
153.95189	1.0
163.11311	2.2
169.01404	1.2
201.11404	1.2
207.10356	2.2
209.11847	100.0
210.12138	3.7
225.11363	2.5
227.12930	23.5
235.08203	1.9
246.26437	1.2
253.09412	5.7
259.15533	1.2
445.20850	8.2
461.20367	1.7
463.21872	1.4
637.32690	1.8
673.33575	1.2
741.34711	19.4
742.35004	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	741.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	27.6
61.98844	26.1
69.26858	6.9
69.27252	16.4
71.01390	18.7
73.02943	4.8
77.21062	3.0
81.03463	3.0
82.95403	3.7
83.05060	4.7
84.95114	3.0
85.00451	6.7
85.02945	5.8
87.00900	5.0
89.02464	7.4
90.20291	3.2
93.58913	3.3
94.28714	3.0
96.01799	2.7
96.96037	5.0
97.02971	4.2
101.02451	13.2
109.06615	11.1
113.02460	4.5
125.02423	5.3
125.09698	3.6
135.77078	3.3
148.11581	3.7
153.03705	3.5
158.84250	3.0
161.04520	2.7
163.07738	3.3
163.11302	10.5
171.10321	12.9
181.12270	3.6
182.50876	2.9
197.11859	5.8
199.09804	7.2
199.13301	4.9
201.11360	7.5
207.10278	30.2
209.11842	100.0
210.12148	3.5
223.09810	4.9
225.11357	33.1
226.26765	3.1
227.12927	24.9
235.08224	7.0
253.09373	8.7
275.01740	3.7
295.74423	3.4
299.99463	3.2
300.99933	5.8
445.20749	6.1
461.20175	7.5
599.75952	3.5
655.32690	4.1
705.33307	3.9
741.34088	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53871	0.8
57.03458	2.2
59.01377	11.4
59.26444	0.9
61.98834	2.5
70.09922	1.1
70.10243	1.3
71.01395	6.1
73.02960	1.7
84.95124	1.0
85.00414	1.7
85.02981	1.6
89.02463	3.6
95.01396	1.1
95.04991	1.1
97.06589	4.8
101.02437	5.1
109.06585	1.4
111.08154	4.0
113.02445	3.4
116.58109	0.8
116.92850	1.9
125.09715	1.2
149.09708	1.0
151.11317	15.7
155.14383	1.1
155.24776	0.9
161.04587	2.1
169.12361	80.4
170.12691	1.9
171.10295	7.5
178.12946	1.3
185.11789	1.0
195.10306	3.1
195.13914	1.1
197.11856	16.8
199.13422	1.2
209.11823	5.9
211.13406	3.4
213.11336	9.8
227.12843	2.5
235.08253	2.7
253.09286	5.3
291.19553	5.3
298.06461	0.9
309.20761	8.7
431.19223	3.3
449.20477	6.5
643.32269	1.2
741.40729	100.0
742.41559	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	741.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10769	1.4
57.03446	2.3
59.01382	11.9
61.98823	7.4
71.01376	7.9
73.02950	3.5
81.81488	1.6
83.01360	1.5
85.02967	3.4
86.39915	1.4
87.00891	1.9
89.02434	4.2
93.18973	1.3
95.04989	1.6
97.06593	5.0
98.22690	3.1
101.02438	5.4
111.08157	4.5
113.02448	3.7
116.92867	2.5
119.03357	1.4
151.11302	15.8
169.12350	79.8
169.24750	1.3
170.12611	1.5
171.10266	4.8
185.11855	3.4
195.10258	4.1
197.11838	24.2
209.11809	6.8
211.13341	4.0
213.11356	10.6
227.12872	1.9
235.08153	2.5
253.09271	5.7
263.20087	1.4
291.19656	5.9
295.22815	3.2
309.20566	8.7
386.72937	1.4
431.19290	3.0
449.20267	5.6
453.34964	1.3
596.06079	1.6
660.62512	2.0
741.40729	100.0
742.41089	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	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10518	0.3
58.00581	0.4
59.01384	19.3
61.01104	0.4
71.01380	1.1
75.64623	0.4
89.02435	0.5
89.61875	0.4
96.95996	0.4
101.02431	0.6
113.02454	1.0
119.03480	0.7
125.02461	0.5
150.03270	0.6
161.04594	0.6
183.35339	0.4
191.55824	0.4
196.46960	0.4
199.97679	0.4
291.37793	0.4
300.99942	0.5
393.27966	0.8
395.29477	0.6
423.29333	0.7
425.30716	1.2
443.96030	0.4
449.29327	0.4
471.31177	0.7
475.34290	0.5
519.33307	100.0
520.25732	0.3
520.33496	9.4
533.34967	0.6
561.34363	5.0
575.90283	0.4
591.35345	0.5
681.38910	0.9
686.45062	0.4
741.41266	0.6
750.53406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01501	0.3
57.03439	0.3
57.41588	0.3
58.47039	0.4
59.01384	20.4
60.01674	0.3
60.05114	0.3
69.40635	1.5
71.01390	3.7
71.83459	0.3
73.02949	1.1
83.01384	0.6
85.02944	1.4
89.02458	5.4
91.12589	0.3
95.01410	0.5
101.02452	2.6
113.02441	3.4
119.03529	2.7
131.03493	0.4
143.03500	0.9
149.04529	0.5
161.04572	1.7
179.05623	3.8
253.39990	0.4
343.46170	0.4
423.29013	0.6
451.28461	0.6
483.31345	0.5
497.63556	0.3
501.32208	1.3
519.33289	100.0
520.26416	0.6
520.33655	8.3
561.34290	4.6
562.35120	0.5
564.74060	0.4
681.38531	1.2
738.01880	0.4
741.40521	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.3
57.03450	2.4
58.00599	1.7
59.01384	100.0
59.32846	0.7
60.01712	1.1
61.98832	7.9
69.03471	2.2
70.73081	0.8
71.01388	41.2
72.99303	4.2
73.02950	26.9
73.79452	0.7
75.00518	0.8
75.00864	3.9
76.82298	0.8
79.95766	0.6
81.03462	1.3
83.01378	4.3
85.02958	19.4
86.00092	3.5
87.00883	16.8
87.04524	6.2
87.93710	0.7
88.98824	1.9
89.02449	35.6
95.01385	3.6
96.96016	19.3
96.96618	1.4
97.02977	1.6
99.00887	1.6
99.04523	1.7
101.02451	46.6
103.04022	14.8
103.04663	1.3
113.02465	13.1
115.04021	15.7
116.92860	1.7
119.03514	19.5
121.03057	0.9
123.00924	1.2
123.08153	0.9
124.01684	0.9
125.02466	3.4
127.04015	1.8
131.03517	16.9
134.10359	0.7
143.03517	17.5
145.05057	5.2
159.02989	1.0
161.04575	5.8
163.06139	62.1
164.06522	1.2
165.05579	1.0
169.01437	2.4
171.10321	1.6
179.05666	5.6
180.39587	0.7
205.07178	33.6
207.10341	1.5
209.11780	5.4
216.00508	0.8
223.09805	1.5
225.11365	0.9
246.31099	0.7
247.08231	30.7
249.49883	0.7
250.41008	0.8
274.01184	0.8
275.02026	2.2
300.99899	2.3
302.00497	0.8
307.10455	3.1
325.11346	2.0
341.23599	0.9
448.68988	0.8
467.35172	0.9
519.33435	1.1
595.38654	9.4
596.38416	1.0
616.29657	0.8
681.38635	1.1
741.44403	62.6
742.44720	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	742.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
61.98829	4.3
69.77724	2.6
69.78078	2.7
70.40246	1.2
71.01394	4.7
71.80417	1.4
73.02953	1.4
78.95922	3.1
80.42262	1.2
83.05042	2.7
83.90560	1.3
87.00919	1.5
89.02480	1.1
98.22559	2.6
101.02455	3.2
111.69910	1.2
113.02454	1.3
161.04588	1.6
171.10431	1.2
194.78398	1.1
205.65886	1.5
209.11842	63.8
210.12196	3.4
227.12935	9.6
235.08325	6.2
252.93715	1.4
253.09306	7.1
253.21750	100.0
254.22067	6.9
255.23380	2.8
284.26901	2.3
397.13498	2.3
421.14044	1.3
484.67166	1.4
639.07800	1.3
644.11664	1.3
690.43243	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42600	1.3
59.01388	21.3
61.98817	6.6
71.01395	14.6
71.30662	1.4
71.44125	2.0
73.02957	3.8
77.32144	1.4
80.02696	1.7
81.03448	2.2
83.05027	4.2
83.51853	1.4
85.02946	2.5
87.11723	1.4
88.98820	1.8
89.02431	5.3
95.05053	1.6
96.96023	2.4
99.00883	2.0
101.02444	6.7
109.06590	6.1
113.02449	4.5
123.00863	2.3
125.02438	4.3
125.09700	3.8
127.11318	2.6
135.04448	1.9
135.08183	2.1
137.09810	1.7
155.10818	1.8
161.04547	3.8
163.11305	6.2
165.12915	2.4
169.01370	3.9
171.10301	23.7
179.05583	2.1
181.08800	2.5
181.12347	3.9
185.11847	2.1
199.09758	20.3
199.13380	2.3
201.11353	36.1
207.10307	17.7
209.11861	100.0
210.12096	4.1
223.09842	3.6
225.11360	25.0
227.12881	22.1
229.01329	1.6
235.08244	5.0
243.12328	3.3
253.09354	14.8
275.01984	6.7
299.99185	1.7
300.99948	11.0
302.00177	2.2
382.02512	2.1
390.02359	1.6
391.03110	3.0
391.52975	1.9
435.18640	4.5
443.18927	1.8
445.20731	2.1
461.20172	8.5
481.06006	2.0
609.29077	4.7
627.30286	6.2
635.30664	3.6
645.31439	5.9
653.30627	7.6
671.32660	7.5
689.33911	4.9
707.34479	4.3
743.33783	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	744.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47910	1.5
59.01373	6.7
61.98836	17.4
71.01373	5.1
83.05037	3.4
84.02148	1.8
88.98815	2.7
89.02438	2.0
90.21975	1.6
93.53342	1.7
101.02441	2.0
108.71643	2.0
121.95046	1.8
126.33929	1.6
161.04559	2.1
163.11276	4.3
165.12784	2.8
167.10750	3.2
171.10306	2.7
179.05588	2.5
179.14452	3.4
185.57579	2.1
195.13928	7.1
205.12338	5.5
209.11841	100.0
210.12169	5.0
211.13330	2.7
223.13408	69.9
227.12958	15.5
235.08199	3.5
253.09285	9.6
300.99966	2.1
320.31207	2.0
402.26102	1.8
445.20651	5.3
459.22363	7.2
633.33173	2.3
651.33862	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	744.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
71.01405	2.0
74.68057	1.5
89.02474	1.5
92.86308	1.4
97.43539	1.3
98.22618	4.0
99.39951	1.4
101.02444	3.1
132.84007	1.4
163.11292	1.7
163.88066	1.5
208.55630	1.7
209.11862	51.3
227.12923	7.2
235.08237	7.0
253.09274	6.7
255.23323	100.0
256.23761	4.7
491.32770	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02840	0.2
59.01385	100.0
60.01720	0.4
75.00926	0.2
87.65103	0.2
89.89529	0.2
95.92373	0.2
97.67739	0.2
98.22642	0.3
103.00392	3.0
103.01508	69.6
112.65649	0.2
207.34187	0.2
481.15323	2.2
482.15698	0.9
496.17264	0.2
497.18094	0.5
514.15167	0.5
540.16461	1.4
541.16486	0.3
555.10919	0.3
555.18939	6.1
556.18927	0.4
571.39410	0.2
572.15240	0.8
641.22571	1.4
659.23633	2.1
701.24670	2.7
702.24615	0.3
708.09540	0.2
745.24182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.0
57.65600	0.7
58.00587	1.4
59.01383	72.3
61.98830	2.6
69.17526	1.9
69.17950	2.5
69.86436	0.6
71.01385	38.4
72.99308	1.3
73.02949	2.5
83.01410	1.7
85.02956	6.1
87.00899	3.3
89.02454	51.0
95.01383	2.8
96.96024	0.9
97.02944	1.0
99.92643	0.7
101.02451	21.6
108.02218	0.7
109.36818	0.7
111.36718	0.7
113.02451	17.5
116.92869	1.3
117.03474	2.5
119.03510	23.7
119.04862	0.9
121.03002	2.0
122.03777	1.3
123.00881	1.3
123.04543	1.5
125.02457	1.9
127.68277	0.7
131.03523	2.3
133.02962	2.3
134.03763	1.6
135.04533	1.1
136.00685	1.2
136.01666	11.1
137.02455	1.5
143.03519	4.9
145.02974	7.3
146.03714	0.9
147.04567	1.2
149.02444	1.7
149.04527	1.4
150.03221	4.3
151.00369	2.4
151.04031	9.3
157.77650	0.8
161.02446	5.1
161.04576	3.1
162.03241	100.0
163.03654	3.1
165.02046	1.7
165.05592	4.7
166.02721	5.6
169.01448	1.6
177.05583	87.4
178.05923	2.9
179.03444	0.8
179.03966	0.9
179.05612	9.8
180.04286	2.4
181.05081	7.6
195.06631	8.4
197.98598	0.7
201.11377	1.9
209.11865	4.4
225.07736	0.8
227.13026	0.9
235.94930	0.7
275.01984	0.9
299.19806	0.9
300.99774	3.3
306.80856	0.9
343.05600	0.7
347.06241	0.8
357.12857	2.2
369.13550	1.5
372.12057	1.5
387.14502	13.0
388.14828	1.5
390.52567	1.0
437.19873	0.8
518.34406	0.7
535.19482	1.8
547.19922	2.0
568.41101	0.8
583.22638	0.9
745.27435	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	745.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01384	100.0
61.98855	2.6
69.43745	2.1
69.44093	6.1
71.01388	56.5
71.03487	1.4
72.99317	3.0
73.02965	3.8
81.58747	1.1
83.01392	4.1
85.02964	11.4
87.00895	8.0
88.88271	1.3
89.02452	69.7
93.03470	2.4
95.01418	6.0
96.96022	4.6
99.00907	1.9
101.02452	28.9
109.26331	1.2
113.02460	30.1
116.92879	3.7
118.98091	2.9
119.03513	29.5
121.02982	6.0
122.03758	10.6
123.00937	1.9
125.02469	9.1
131.03508	5.2
136.01663	2.8
143.03535	9.2
149.02470	12.8
149.04572	3.7
150.03238	65.1
151.03963	1.4
161.02504	2.6
161.04567	11.1
162.03329	1.7
164.04823	2.8
165.05583	48.3
169.01468	10.5
171.10260	1.6
179.05618	29.3
180.04268	3.7
180.05768	1.2
187.03917	1.3
188.04765	1.6
189.05595	1.4
191.93825	1.2
195.06657	23.8
201.11310	3.9
203.03497	1.8
207.10452	1.2
209.11861	8.2
211.02634	1.7
217.05084	5.8
223.09673	1.3
225.11420	1.6
227.12863	3.1
231.02959	1.7
235.08372	1.2
258.01370	1.2
275.01913	4.0
299.99207	1.8
300.99930	8.6
302.00467	1.9
326.11432	1.5
329.13885	1.5
356.12747	1.6
357.13388	2.9
376.02695	2.5
387.14517	6.4
390.02182	2.5
390.52539	4.2
391.03229	2.5
429.15512	12.3
459.16608	1.8
487.18469	1.4
489.17462	3.8
503.25906	1.5
535.19727	10.8
549.19873	2.0
577.20941	5.5
655.35284	1.5
697.24982	15.9
745.24426	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	745.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01385	100.0
61.98837	3.9
66.29897	1.5
69.34907	6.8
69.35321	3.0
71.01391	54.9
72.99324	1.9
73.02954	4.9
83.01392	4.0
85.02956	9.2
87.00893	5.1
87.69053	1.5
88.98811	2.0
89.02452	66.7
93.03459	3.2
95.01393	4.4
96.96011	2.1
101.02448	26.5
102.90186	1.6
108.02225	1.8
110.58820	1.6
113.02461	27.6
116.92876	7.1
119.03504	29.5
121.02985	5.7
122.03762	11.2
125.02464	3.0
131.03534	2.1
143.03488	6.4
149.02483	14.3
149.04536	2.8
150.03235	60.8
151.03682	2.2
159.25816	1.5
161.04582	10.3
163.07648	2.9
164.04811	1.8
165.05583	49.5
166.05991	2.6
168.62863	2.0
169.01396	4.1
179.05617	31.6
180.04318	4.0
195.06618	21.5
223.09831	2.8
269.08148	5.1
281.08389	2.5
285.07159	1.7
299.09189	3.9
311.09277	7.4
314.11508	9.8
315.12299	2.1
326.11627	6.7
329.14053	18.9
341.10403	2.1
341.14050	10.4
356.12665	2.5
371.15335	2.3
385.15030	5.2
387.14050	3.6
429.15561	9.9
489.17847	3.8
535.19781	11.8
577.20679	4.2
697.25055	12.8
745.30963	16.4
754.39960	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	745.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.6
59.01384	100.0
60.54498	1.1
61.98824	1.2
69.89343	3.6
71.01389	65.3
72.99294	2.0
73.02969	2.4
83.01380	2.5
85.02959	8.8
87.00897	4.6
89.02454	77.7
93.03472	4.5
95.01414	3.7
96.31077	1.0
99.00938	1.4
101.02450	32.6
105.01987	1.1
108.02205	1.4
113.02461	22.1
117.03516	2.1
119.03519	33.8
119.04900	1.5
121.02950	7.1
122.03754	14.3
123.00903	1.8
125.02488	2.6
131.03517	4.5
133.02951	2.6
135.04500	1.8
136.01682	19.9
137.02406	3.1
143.03535	5.3
145.02969	7.1
146.03793	1.3
147.04504	2.3
149.02469	13.7
149.04494	2.7
150.03242	89.5
151.00404	5.5
151.04034	18.0
161.02490	5.1
161.04575	6.7
162.03236	27.6
163.03981	1.9
164.04797	3.3
165.05580	96.2
166.02727	18.9
166.05905	2.6
167.03491	1.0
169.01451	2.7
175.04074	1.2
177.01973	1.7
177.05602	15.3
179.05641	16.1
180.04305	9.4
181.05096	18.4
186.64630	1.1
189.05641	1.4
190.06325	1.2
195.06638	93.8
196.07007	2.1
201.11295	2.0
209.11839	3.5
243.75557	1.3
300.99811	2.2
341.09811	1.2
357.09814	4.2
357.13895	7.8
369.13492	2.3
371.14883	3.0
372.12030	2.6
387.14514	31.5
388.14914	1.6
482.67581	1.4
489.47226	1.4
535.19617	4.4
547.19946	7.3
583.21954	15.7
584.22229	1.5
627.05505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03462	1.0
58.00588	1.8
58.60950	0.6
59.01384	100.0
60.01717	0.7
60.99299	0.6
61.98838	0.8
71.01386	53.2
72.99310	1.9
73.02956	1.4
83.01376	2.2
85.02954	8.3
87.00874	2.3
88.98804	1.1
89.02452	66.2
93.03458	1.7
95.01395	3.4
96.96047	0.5
97.02924	0.5
101.02456	30.2
101.42180	0.4
102.02744	0.4
109.37569	0.5
113.02461	22.4
113.03259	1.1
116.92835	0.6
119.03513	32.0
121.02950	2.4
122.03735	5.2
124.01666	0.8
125.02408	1.5
131.03505	3.7
132.02129	0.5
136.01601	0.5
143.03511	4.7
148.88142	0.4
149.02458	7.8
149.04529	2.5
150.03230	26.2
151.03639	1.4
152.47104	0.4
157.24387	0.4
160.01605	0.6
161.04591	4.3
164.04744	1.6
165.05583	23.7
166.05879	0.6
169.01413	1.0
177.05626	0.5
179.05624	9.2
179.07144	0.8
180.04256	1.5
191.93056	0.4
195.06647	15.7
222.75363	0.5
268.07257	1.9
280.07315	1.0
283.09668	0.9
296.06674	1.4
300.99698	0.8
308.06802	1.3
309.07379	1.6
311.09158	2.2
322.08237	0.9
323.09354	2.9
324.06067	1.4
324.09747	1.1
337.10568	0.8
338.11295	1.2
339.08734	11.9
339.12708	0.5
340.08881	1.5
345.10574	1.7
345.60950	0.5
354.11044	4.2
355.10953	0.5
369.13467	24.4
370.13535	1.5
517.18695	7.4
518.18719	0.8
565.20667	0.6
583.21362	0.9
745.26013	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37130	1.3
57.03438	1.6
58.00597	2.8
59.01384	100.0
61.98834	7.6
64.49068	1.2
65.94388	1.2
69.43429	2.4
69.43816	2.9
71.01390	56.3
72.99304	1.6
79.20561	1.2
83.01376	2.9
85.02960	10.0
87.00879	2.6
89.02451	72.1
93.03459	4.5
95.01397	4.6
96.96025	1.7
97.47897	1.2
101.02454	34.0
105.01904	1.4
113.02462	23.7
119.03519	33.4
121.02956	9.1
122.03751	15.9
124.01710	1.3
125.02452	3.7
125.54495	1.6
125.80544	1.5
131.03517	4.3
135.04552	3.9
136.01643	7.9
143.03500	4.0
149.02440	20.9
149.04533	2.0
150.03241	71.8
151.00409	3.0
151.04048	10.5
161.04564	3.9
161.93472	1.3
163.04047	2.0
164.04863	1.9
165.05583	66.9
166.02716	4.5
166.05966	1.9
169.01414	3.1
177.05559	1.8
179.05656	7.3
180.04332	4.1
181.05077	5.9
190.06317	3.6
195.06633	47.1
268.07443	2.1
280.07440	1.9
300.99847	1.5
308.07001	1.8
322.08417	2.0
323.09140	2.8
339.08777	10.9
354.11182	4.5
357.09613	2.3
357.13507	3.6
369.13443	30.2
372.12051	2.1
387.14456	19.9
517.18768	9.7
535.19818	23.3
536.19720	2.5
565.21588	1.6
583.21869	17.7
745.28516	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	746.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98077	1.4
55.01870	1.7
59.01396	9.4
61.97206	1.3
61.98830	11.8
69.03481	1.8
71.01385	6.9
73.02953	2.2
80.02691	2.1
81.03458	3.9
83.05048	6.2
84.02154	2.0
85.02989	2.0
87.00873	2.3
88.98820	3.5
89.02452	3.9
96.96015	1.8
97.02957	3.9
101.02461	4.8
109.06596	19.7
113.02461	3.3
119.03493	1.4
121.06569	2.1
125.09722	2.1
135.08173	2.0
142.92616	1.5
161.09796	1.8
163.11314	14.1
164.11412	1.7
164.69012	1.5
169.01443	1.8
181.12389	3.1
185.11882	3.0
189.09187	2.5
207.10292	54.4
209.11856	100.0
210.12234	3.8
225.11357	25.6
227.12924	17.1
235.08257	4.6
253.09308	13.5
373.23669	1.8
399.21890	5.3
417.22873	5.1
443.19205	5.2
445.20596	2.2
461.20267	6.2
635.30511	21.3
653.31891	16.2
654.32245	2.2
671.32977	28.6
672.33698	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	747.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.8
55.49456	0.4
57.03456	1.0
58.00602	1.4
59.01386	100.0
69.11875	2.9
71.01390	49.5
72.99352	1.1
73.02963	1.1
79.28831	0.5
83.01391	1.4
85.02966	7.8
87.00887	2.0
89.02455	70.1
90.02795	1.1
93.03460	1.7
95.01398	3.0
99.00916	0.5
101.02457	30.7
107.93427	0.5
108.45858	0.5
113.02464	21.5
119.03516	32.6
119.54046	0.5
121.02972	2.3
122.03761	5.9
125.02464	0.7
131.03529	3.7
137.02448	0.5
143.03513	4.6
149.02460	10.7
149.04471	2.4
150.03242	32.7
151.03552	0.7
160.01620	1.2
161.04604	4.5
162.03238	2.6
164.04759	1.4
165.05588	25.8
166.05913	0.8
172.49902	0.5
175.82938	0.6
177.05508	1.6
179.05646	9.7
180.04245	2.0
180.07904	0.6
195.06642	18.5
196.06921	0.5
215.39890	0.5
223.09676	0.5
231.42404	0.5
242.09421	1.1
253.63344	0.5
257.11737	0.9
261.19153	0.5
270.08826	1.9
285.11191	2.1
285.14334	0.4
295.09808	0.7
298.08490	2.6
298.11310	0.5
310.08475	1.1
310.11682	0.6
311.09164	0.8
313.10751	1.9
323.09375	1.0
324.09979	0.9
325.10825	1.0
326.07822	2.1
326.11258	0.7
340.12711	0.6
341.06580	0.8
341.10342	11.8
342.10370	0.8
356.12683	5.1
371.15018	23.0
372.15015	1.6
519.13184	0.6
519.20325	9.3
520.20209	0.9
537.21021	0.5
585.22485	0.7
637.96667	0.5
747.28998	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	747.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03462	1.3
58.00611	1.2
59.01386	100.0
71.01389	52.9
72.99314	1.6
73.02969	1.4
79.71323	0.5
83.01406	1.7
85.02958	7.1
87.00900	2.5
89.02454	67.9
93.03494	2.1
95.01397	4.3
101.02452	29.0
113.02466	20.1
119.03519	32.0
120.01264	1.3
121.02937	3.0
122.03752	9.0
123.00919	1.2
125.02484	1.4
131.03552	3.7
133.02998	0.6
135.04614	0.6
136.01697	0.7
139.31993	0.6
143.03520	5.9
149.02466	9.5
149.04486	3.4
150.03242	52.9
151.03606	0.9
160.01721	1.4
160.71278	0.5
161.04581	5.1
162.03302	0.7
164.04872	2.5
165.05591	42.0
166.05911	0.9
177.05658	1.0
177.61977	0.6
179.05627	12.7
179.07159	0.8
180.04269	3.0
195.06642	21.2
200.15961	0.5
210.10481	0.5
225.04074	0.8
226.37364	0.6
240.04211	0.6
242.09509	1.9
255.06624	1.0
257.11917	1.4
270.09033	2.7
271.09888	2.2
285.11322	2.6
295.09845	0.6
298.08380	3.2
300.99918	0.9
301.11017	0.9
303.13333	0.6
310.08609	1.4
311.09393	1.6
313.10928	2.5
323.09619	0.8
324.09985	1.3
325.10876	2.0
326.07990	3.1
326.11667	2.1
339.54065	0.6
340.13272	0.8
341.10291	20.3
342.10880	1.1
356.12680	8.4
357.13290	0.6
371.15018	30.9
372.15439	1.9
404.72742	0.5
519.20435	1.1
585.23083	0.8
747.26440	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	747.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87928	0.7
59.01387	43.6
71.01370	1.1
71.40962	0.8
71.88636	0.9
72.99322	5.1
78.20525	0.8
88.98819	1.1
89.02448	1.5
96.96011	1.1
103.05569	1.9
119.05016	5.6
121.02985	1.3
125.02453	2.5
147.04543	100.0
148.04889	2.1
150.03305	1.0
165.05591	89.3
166.05943	1.5
169.01410	3.5
171.55267	0.8
196.85809	0.9
200.70296	0.8
207.06642	73.3
208.07004	2.2
232.36436	1.0
248.03268	1.7
266.37073	0.8
274.01273	1.4
275.01929	2.3
288.66327	0.9
292.41202	0.8
299.99197	1.0
300.99905	3.7
371.07648	1.4
378.98456	0.8
415.06680	1.6
632.06543	2.4
704.06067	0.9
729.13147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
70.95458	0.4
71.41076	0.3
84.36208	0.4
87.00900	0.6
88.98815	1.2
97.01152	0.4
169.01521	0.4
209.11960	1.4
225.11406	0.5
254.04230	0.5
306.26569	0.4
375.72449	0.4
550.68018	0.4
739.11279	0.4
749.36224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.7
61.98830	5.4
63.07515	0.9
67.14301	1.1
69.42703	4.1
71.01387	2.4
72.99306	2.2
75.00887	6.0
76.39803	1.1
78.52386	1.3
80.64255	1.0
83.05036	3.7
88.98807	1.3
89.02437	1.7
95.05067	1.3
96.96000	3.3
100.40906	1.1
101.02412	2.4
116.91113	0.9
125.02474	1.8
153.65636	1.1
163.04239	1.1
163.11273	3.3
165.12862	2.8
169.01454	1.6
171.10210	2.1
179.00656	1.1
209.11848	100.0
210.12256	6.4
227.12939	13.9
235.08167	1.3
253.09364	5.3
269.59250	1.1
283.86377	1.1
300.99707	1.6
445.20819	2.0
610.02209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	0.3
61.98837	100.0
69.70073	0.3
76.38090	0.4
109.80022	0.3
128.43744	0.3
200.03784	0.4
219.92566	0.4
223.13573	0.4
378.49500	0.3
494.64450	0.4
651.56750	0.4
683.67865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05548	2.0
92.77275	1.3
96.96026	2.3
98.97259	0.9
125.02457	1.4
145.02977	1.1
150.03165	1.1
163.04025	2.8
173.02512	1.4
185.02449	2.8
201.01976	2.1
216.00549	1.0
220.25415	1.0
223.06165	6.4
229.01410	2.9
257.00992	1.6
283.99680	2.1
299.99136	50.3
300.99924	100.0
302.00281	5.4
447.05722	40.8
448.05994	2.1
578.31683	1.2
578.93347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06853	0.6
69.84931	1.4
69.85313	1.2
71.01385	10.5
72.99310	1.7
87.00884	0.7
89.02453	1.2
107.01394	1.8
111.00903	0.9
115.00382	30.9
123.00890	5.0
124.01672	9.0
125.02450	11.2
125.69098	0.5
133.01443	100.0
134.03764	1.3
135.04535	23.9
138.03322	0.9
139.00426	1.0
139.04028	2.6
140.01175	1.1
141.01929	1.1
146.83250	0.6
151.00406	2.3
167.03442	0.8
168.00636	3.3
168.99985	1.0
169.01427	17.0
169.02800	1.0
177.01962	1.0
179.03513	26.7
183.02998	1.9
211.02643	0.7
231.14798	0.6
234.37383	0.6
295.04593	3.4
297.06271	0.8
313.05588	5.6
407.06314	0.7
435.09543	0.9
453.10397	66.1
454.10858	2.1
543.80347	0.8
735.94690	0.7
757.49548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	15.3
65.42065	2.9
71.46720	3.5
93.03443	6.2
121.02985	12.4
122.03748	15.1
132.02223	8.3
133.02960	25.6
134.03773	17.1
135.04527	9.7
136.01660	5.7
137.02446	3.8
146.03683	2.9
147.04538	6.5
148.05270	4.1
149.02473	28.8
149.06097	8.8
150.03236	100.0
151.04008	8.4
160.01659	8.7
161.02469	8.2
162.03218	3.9
164.04817	3.8
165.05592	70.7
175.04022	17.9
179.03481	15.1
180.04231	5.4
191.03673	3.2
193.05070	8.6
195.06679	22.2
222.45848	3.2
233.06204	3.0
263.78992	3.1
327.12418	3.6
341.10318	6.5
342.11050	11.1
343.11786	13.9
356.12598	9.3
357.13467	26.1
411.14612	8.7
490.15991	4.4
505.18781	94.3
506.18896	7.7
535.19647	21.5
553.20886	66.0
653.24054	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	749.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
61.98834	9.1
65.81263	0.8
71.01400	1.2
72.99313	5.4
73.02928	0.9
75.00881	100.0
76.66730	0.7
83.05035	2.9
84.02154	0.8
89.02451	1.3
101.02456	1.9
105.44678	0.7
145.33171	1.0
163.11292	2.2
165.12930	0.9
169.01460	1.3
171.10242	1.8
185.76445	0.8
191.10809	0.8
209.11844	69.7
210.12164	3.6
221.96655	0.8
226.98474	0.9
227.12915	15.2
228.13225	1.1
235.08255	1.7
253.09344	5.6
255.69052	1.1
269.48178	1.0
272.65137	0.9
445.20575	1.4
453.89783	0.9
549.31934	1.0
562.40961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	11.5
63.53014	10.7
115.04253	12.8
120.19882	10.2
122.77247	11.1
129.95682	10.1
149.05476	13.4
179.44093	12.0
202.35458	10.3
209.11830	69.5
216.52272	10.2
267.23297	100.0
448.02643	12.8
591.24493	10.2
702.73370	11.7
749.42761	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	750.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98835	100.0
62.98508	0.2
69.27246	0.4
69.27654	0.4
98.51787	0.1
118.76831	0.2
118.77864	0.1
124.00407	0.1
197.11908	0.3
209.11942	0.4
230.17212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30716	0.3
59.01372	0.4
61.98836	100.0
66.18614	0.3
70.70101	0.4
70.70453	0.5
71.01392	0.5
72.24201	0.3
72.42091	0.3
75.80754	0.3
78.91905	0.4
80.75347	0.3
80.96517	0.3
86.31573	0.3
96.31596	0.3
104.25736	0.3
129.14674	0.3
143.05635	0.3
207.10362	0.4
209.11879	1.1
287.16867	0.3
289.18033	0.4
300.99991	0.4
311.22333	0.5
333.44229	0.3
440.02130	0.3
750.41290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99110	2.6
59.01390	3.3
59.07700	2.6
59.93456	2.7
63.29037	2.9
71.42862	2.7
108.05963	2.9
183.13866	5.5
211.13409	100.0
212.13644	3.3
216.98367	2.5
242.07312	2.9
253.09351	5.3
274.62329	2.6
277.21729	56.9
284.90295	2.8
323.17526	2.4
425.23315	2.8
447.22214	9.0
664.36212	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	751.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53182	1.6
72.99319	2.6
78.15278	1.6
87.00868	2.5
91.05559	3.3
98.22715	3.3
99.00924	1.8
107.05048	7.7
121.02978	2.9
123.00894	3.2
125.02470	10.9
133.06631	5.3
145.01408	4.9
149.06099	21.9
168.00754	1.9
169.01443	16.1
177.05609	17.1
179.03511	27.3
180.03877	2.6
182.02254	2.2
195.06673	2.7
197.04637	2.1
239.05632	100.0
240.06175	2.5
300.99966	7.6
313.05679	3.4
361.37570	1.8
511.10773	22.7
781.23596	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	751.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03915	1.4
69.08263	1.4
69.89134	3.7
75.03054	1.3
87.47153	1.3
88.77212	1.2
89.08399	1.3
91.08157	1.5
92.43190	1.6
95.47807	1.2
96.76711	1.4
105.03474	5.6
108.02160	1.6
119.05041	4.8
121.02971	2.3
132.02214	8.3
133.02969	24.8
134.03760	47.5
135.04561	15.8
136.01700	8.1
137.02451	6.8
145.02948	4.0
146.03772	2.1
147.04552	9.1
148.05370	6.6
149.02461	5.1
149.06102	17.1
150.03256	1.5
151.04021	4.2
157.24387	1.4
160.01685	17.2
161.02469	8.5
161.06140	3.6
162.03188	3.8
163.03899	2.3
167.07094	2.0
175.04042	13.6
177.01907	3.0
178.02710	11.4
179.03534	10.4
188.00955	2.5
189.01724	2.2
191.03490	2.4
193.05061	30.4
195.06447	1.5
200.00917	16.5
201.01726	12.3
205.05115	1.8
215.03238	6.1
272.75687	1.6
282.18988	1.4
295.01385	1.4
324.10144	2.1
327.12305	1.6
341.10364	8.1
342.11050	4.8
343.24719	1.4
349.07126	8.6
350.07666	4.3
355.11826	5.0
356.12741	14.3
357.13425	8.3
364.09387	14.4
365.09933	4.2
368.12570	4.9
369.13428	3.2
379.11646	17.2
380.11804	1.7
383.14813	4.0
403.75620	1.4
454.11011	2.2
476.29352	1.5
482.09680	3.1
497.12253	10.8
505.18741	3.1
512.14532	15.5
517.18835	14.7
527.16937	61.3
527.25024	3.1
528.17053	4.8
535.19067	1.9
557.17987	1.7
572.16663	7.0
575.18695	2.1
736.21436	5.5
751.23773	100.0
752.24194	14.4
774.89343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.1
59.01385	1.5
71.01394	2.5
79.38914	0.7
83.44657	0.8
85.02969	1.5
87.00878	4.0
101.02451	1.8
108.47251	0.6
111.00894	1.3
113.02455	2.5
121.02953	3.2
122.03735	2.8
137.02446	1.0
145.02972	2.1
146.48137	0.7
149.02464	32.4
150.03246	47.2
151.03610	1.1
161.02467	2.9
161.04549	5.3
162.03279	3.8
163.04045	1.4
164.04816	16.0
165.05585	100.0
166.05910	3.7
174.50340	0.8
177.05562	1.3
180.04338	5.1
195.06648	44.2
196.06975	1.0
204.72025	0.7
207.06735	0.8
214.67859	0.8
300.99948	1.6
327.10861	37.0
328.11157	1.6
339.10919	0.9
357.12143	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	751.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98824	3.1
69.07750	2.3
69.08163	4.6
71.01380	1.3
79.61539	1.0
93.03448	4.5
95.01395	1.2
96.95992	1.8
100.20356	1.0
105.03488	1.4
108.02187	1.5
109.02924	1.4
120.01249	3.4
121.02979	13.8
122.03762	16.1
123.00912	1.2
123.04533	2.5
124.01694	1.5
125.02477	1.1
132.02179	3.5
133.02982	8.8
134.03757	7.7
135.04541	2.5
136.01649	4.0
136.05363	1.4
137.06085	1.2
145.02937	3.8
146.03702	2.8
147.04565	7.1
148.09198	1.3
149.02461	38.3
149.06059	7.5
150.03238	100.0
151.03992	6.2
158.03795	1.7
159.04538	4.2
160.05316	10.8
161.02470	1.7
161.06105	7.8
162.03226	3.5
163.04022	3.8
164.04799	11.1
165.05583	80.4
166.06134	2.8
169.01422	1.7
173.06062	2.5
175.04016	1.6
175.07657	9.5
176.04851	2.1
177.05528	7.7
178.04977	1.1
178.06342	6.5
178.99858	1.4
179.07147	3.1
180.04312	6.2
181.05057	1.4
191.07050	1.1
192.07961	4.4
193.08510	1.1
195.06628	34.9
225.66925	1.1
247.99911	0.9
255.06465	1.1
270.09045	1.5
271.09604	1.3
285.11420	1.2
288.06015	1.3
296.10620	1.2
298.08597	1.4
313.10812	3.4
315.12354	2.0
329.10742	1.4
329.13950	29.1
330.14102	1.3
338.47876	1.1
343.11877	9.6
343.15762	1.5
344.12213	1.3
359.15176	1.1
373.12943	3.2
447.18408	1.7
477.19211	25.5
478.19492	2.7
493.18655	1.2
505.18683	1.6
507.20264	18.0
508.21045	1.1
521.18250	1.5
525.21204	8.6
537.21228	2.7
555.22192	4.2
561.21277	4.8
609.23792	2.3
655.25604	17.5
656.25879	1.7
667.25012	3.4
673.26672	3.7
685.26642	10.4
686.26941	1.8
697.26740	1.5
703.27588	10.0
715.27618	4.4
721.29248	1.2
733.28320	3.6
751.29449	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	751.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98837	7.2
71.07648	1.1
77.99389	1.1
82.95422	1.3
84.95129	3.5
85.00448	7.6
93.03461	4.2
94.22261	0.9
95.33490	1.1
96.96027	3.0
101.02440	1.0
109.02998	1.3
121.02961	11.7
122.03760	16.8
123.00871	1.4
123.04535	3.5
125.02498	1.4
127.33734	1.0
133.02966	2.0
135.04523	2.9
136.01659	2.8
141.01746	1.5
145.02968	1.2
146.03752	1.6
147.04541	3.3
149.02452	34.3
149.06062	1.0
150.03241	100.0
151.03687	4.1
162.03253	1.6
162.78804	1.0
163.04002	3.9
164.04797	7.0
165.05582	98.2
165.71861	1.0
166.06364	6.1
169.01439	2.6
170.86900	1.0
175.04033	4.1
177.05573	2.4
179.07188	3.6
180.04303	5.9
181.08725	1.9
192.08012	1.0
195.06639	68.9
196.06956	2.4
207.06638	3.6
222.06612	1.1
223.10013	1.4
224.04642	1.1
225.05609	1.2
226.06229	1.0
227.56709	1.2
240.04308	4.2
253.09067	1.5
255.06587	2.7
255.10120	1.1
266.05759	1.6
267.06711	2.8
268.06979	0.9
269.08203	19.8
269.11395	2.4
270.08893	2.4
271.09692	1.9
277.01581	1.0
281.08203	2.3
283.06903	1.0
283.09729	7.0
285.11243	1.3
295.06174	2.4
295.09592	1.5
296.10532	1.5
297.07803	1.3
297.11145	1.5
298.08594	7.8
298.11789	1.8
299.09232	14.7
310.08408	2.5
311.09262	15.0
312.09872	2.5
313.10822	17.7
314.11621	25.6
315.12250	3.6
325.10916	3.7
326.11612	15.8
327.12274	1.7
328.09744	1.4
328.13193	6.9
329.13940	69.2
330.14355	2.3
341.13898	36.7
342.14206	1.4
343.11905	38.1
344.12234	1.6
349.49524	1.0
373.12848	3.9
391.13815	4.0
402.00940	1.1
477.19000	3.1
507.20248	20.1
508.20428	2.6
525.21124	3.0
537.21429	1.9
551.19208	1.3
555.22400	5.6
633.31244	1.1
673.26617	4.2
674.27191	1.3
703.27594	17.9
704.27966	3.3
751.28821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.7
61.98846	1.5
66.94666	0.6
67.12363	0.6
69.17257	2.3
69.17664	2.1
71.01403	2.5
81.78223	0.6
83.01331	0.6
88.98824	1.5
89.02470	2.7
93.03457	3.9
95.01405	1.2
95.05056	0.7
96.96037	2.9
98.22616	1.5
101.02462	1.1
105.03481	1.6
108.02139	1.2
109.02939	0.8
117.70863	0.7
121.02969	8.7
122.03757	15.8
123.00861	1.2
123.04531	1.9
124.01657	1.4
125.02467	1.9
132.02174	1.6
133.02977	6.7
134.03746	2.8
134.34470	0.7
135.04514	2.1
136.01666	2.6
137.02432	1.1
141.01732	0.7
145.02946	2.6
146.03740	2.6
147.04568	3.1
149.02443	23.9
149.03609	1.3
149.06075	2.7
150.03239	100.0
150.42223	0.7
151.03792	3.8
159.04475	1.2
160.05292	4.4
161.02428	1.6
161.06094	3.4
162.03241	2.0
163.04019	2.2
164.04811	5.6
165.05579	88.5
166.06192	3.7
169.01387	2.9
173.06140	0.9
175.04063	1.3
175.07581	3.2
176.04741	1.0
177.01935	18.4
177.05545	4.0
178.06343	1.7
179.07111	1.8
180.04324	6.1
181.05066	0.8
181.08794	1.2
192.07863	1.2
195.06642	48.1
196.06987	1.8
213.50020	0.8
219.88986	0.7
240.04312	0.9
269.08167	1.8
295.05856	0.9
298.08441	1.1
299.09171	1.3
300.99808	1.6
311.09195	1.5
313.10803	2.7
314.11426	2.5
315.12131	1.0
325.10681	1.7
326.11472	1.1
329.10242	1.0
329.13989	15.8
339.07336	0.8
341.13828	2.9
343.11856	6.3
344.12854	0.7
383.14505	0.8
391.13522	0.9
409.93668	0.6
477.19141	11.0
478.19302	1.0
493.09769	0.7
507.20218	15.1
508.20389	1.8
521.18054	1.6
525.21173	4.4
527.19135	0.8
537.21417	3.4
555.22534	3.7
561.21100	2.4
571.18036	1.4
591.22736	1.0
609.23615	1.4
655.25531	6.6
667.25323	1.7
685.26843	4.7
686.26154	0.9
697.26727	0.8
703.27557	7.0
704.27594	0.8
715.27155	1.7
721.28394	0.7
733.28198	2.0
751.27332	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	751.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.6
57.03447	0.6
59.01384	100.0
61.98834	10.3
71.01392	9.9
72.10829	0.5
73.02956	4.4
73.15651	0.5
76.18901	0.5
79.95744	0.8
80.96512	3.2
83.01411	1.8
85.02962	4.8
89.02459	1.0
95.01398	1.3
96.96012	0.5
99.00912	1.6
101.02450	6.2
107.13947	0.5
110.84856	0.5
113.02443	4.5
125.02505	1.2
141.01698	0.7
143.03545	0.6
152.96663	0.5
159.02986	0.8
161.04538	2.8
163.04002	0.6
164.98595	0.6
169.01515	0.8
197.12001	0.6
204.37437	0.6
209.11914	1.2
215.33813	0.5
225.00856	1.3
275.02151	1.1
289.16571	8.4
301.00101	1.2
331.17578	2.9
415.62051	0.5
503.34155	1.0
751.28723	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	751.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
56.90258	0.3
57.03456	0.6
57.91288	0.3
59.01385	100.0
60.01721	0.6
61.98841	8.2
63.70098	0.2
69.28879	1.6
71.01386	8.9
71.05019	0.4
73.02944	3.8
78.98573	0.3
79.95754	1.1
80.96524	5.1
83.00957	0.4
83.01384	1.5
85.02964	4.5
87.00888	0.6
89.02465	0.8
94.98104	1.0
95.01429	0.8
96.96064	0.6
97.02987	0.7
99.00901	1.4
101.02457	6.2
107.56555	0.3
112.26430	0.2
113.02477	4.5
123.00905	0.4
125.02482	1.2
127.11319	0.4
134.97585	0.3
135.04500	0.3
143.03516	0.4
147.04495	0.3
148.99152	0.7
150.78447	0.3
159.03043	0.8
161.04573	2.6
164.98663	0.8
169.01474	1.1
169.12206	0.3
171.10385	0.3
191.03467	0.4
197.11922	0.5
209.11836	2.3
225.00768	1.4
227.13234	0.4
229.01411	0.5
232.66249	0.3
257.01337	0.3
259.99512	0.3
275.02005	1.5
289.16586	9.3
300.99911	2.1
303.00964	0.3
329.37363	0.3
331.17657	2.3
390.02380	0.9
390.52667	0.5
391.03342	0.4
487.34323	3.3
488.34738	3.9
562.27948	0.3
751.28314	5.5
752.29413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	86.5
61.98834	92.9
65.68584	1.4
69.03438	2.7
69.14081	10.7
71.01389	13.1
73.02954	12.2
78.95924	3.8
79.95739	1.6
80.96522	6.6
81.03444	3.1
83.01407	3.4
83.05027	8.7
85.02963	3.5
86.85400	1.6
87.00862	2.3
88.98812	3.6
89.02447	10.2
95.01411	2.1
95.05030	1.6
96.96011	3.1
97.06580	1.7
101.02455	18.9
113.02463	7.2
115.38651	1.7
116.92875	2.0
119.03469	2.3
125.02465	4.7
137.36475	1.5
151.11391	2.1
161.04575	4.2
163.11307	6.7
165.12875	5.4
169.01439	2.8
169.12341	31.5
183.32593	1.7
193.97981	1.7
197.11847	61.4
198.12180	2.0
209.11844	100.0
227.12898	8.8
241.14499	2.0
253.09277	7.3
275.02039	2.5
276.01804	1.7
286.05444	1.4
300.99930	9.0
306.03522	1.7
318.88251	1.8
331.17523	2.6
412.39435	1.7
451.20450	1.7
591.26154	4.1
676.34399	3.0
687.32422	28.2
688.32306	2.5
694.35889	2.1
719.34875	41.7
720.35510	3.9
751.38397	43.1
752.38190	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	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
58.68459	0.4
59.01381	7.9
61.98820	1.3
69.03471	2.8
69.68981	0.9
69.69324	0.8
71.01389	4.7
71.05024	0.9
73.02956	0.7
83.01378	0.5
83.05014	0.8
85.02958	0.7
86.64187	0.4
87.00880	0.8
89.02451	3.3
95.05019	0.5
97.02921	0.5
101.02461	4.5
109.06604	1.5
111.08165	7.3
113.02438	1.4
119.03497	0.7
125.09724	0.8
137.09639	0.4
141.09293	0.6
143.03496	0.6
145.05052	0.8
149.09740	1.1
151.11293	0.5
153.09253	0.5
153.12801	0.4
161.04588	2.6
163.11397	0.7
167.10771	3.3
169.12354	3.6
171.10277	0.8
177.12889	0.6
179.10765	1.8
179.14410	3.3
181.12413	0.8
195.13902	8.7
197.11842	37.4
198.12213	1.4
199.13373	1.6
205.12344	8.9
207.10313	1.0
209.11867	0.8
211.13440	4.8
223.13402	100.0
224.13779	3.4
225.11296	1.0
227.12830	1.6
235.08278	5.4
249.14922	1.2
253.09293	16.5
254.09659	0.7
263.20151	1.6
265.18066	1.5
273.18793	0.6
291.19662	14.7
292.20190	0.8
309.20721	50.5
310.20984	2.6
357.19058	0.4
422.83368	0.5
433.20856	1.0
441.21109	0.8
459.22345	9.7
460.23169	0.7
515.33478	0.9
527.28503	1.0
545.29700	1.6
627.92249	0.4
693.66760	0.5
733.38562	0.8
751.41394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01126	0.8
59.01384	10.7
61.98820	1.7
69.03440	3.0
71.01389	5.1
71.05032	0.7
71.11056	0.6
71.40501	0.7
73.02952	1.5
79.95751	0.6
83.01373	0.9
83.05047	1.1
85.02953	2.0
89.02435	4.3
95.01350	0.9
97.02969	0.9
101.02450	5.1
109.06592	2.8
111.08169	9.1
113.02463	2.3
116.92867	5.4
119.03484	2.0
123.08166	0.7
125.02467	0.9
125.09749	1.1
127.07650	1.1
133.05099	0.7
145.05075	1.0
150.59036	0.7
151.11218	0.8
153.12842	0.9
161.04553	3.0
163.11288	0.8
164.76004	0.6
167.10788	3.1
169.01349	0.7
169.12315	3.8
177.12874	0.9
179.05624	1.1
179.10822	1.7
179.14450	3.3
181.12318	1.7
185.11838	0.9
191.10745	0.7
195.13902	12.1
197.11838	44.6
198.12201	1.3
199.13411	2.8
205.12343	8.7
207.10294	4.5
209.11803	3.6
211.13446	6.4
221.11816	1.6
223.13403	100.0
224.13680	5.2
225.11365	1.9
227.12859	1.5
235.08272	5.8
239.12943	0.7
245.19093	1.2
247.20540	0.6
253.09311	18.6
263.20123	3.2
273.18549	1.9
289.18066	1.0
291.19690	16.8
292.19983	0.8
293.21198	1.5
300.99753	1.7
307.19232	1.3
309.20728	57.7
310.21149	4.0
391.03073	1.0
433.20609	0.8
441.21127	0.7
459.22427	10.3
460.22525	0.8
461.19919	0.8
515.33667	1.2
545.29779	1.9
584.96149	0.7
640.34796	0.7
733.38074	0.8
751.40332	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	751.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
59.01383	19.6
59.38784	1.3
61.78862	1.4
61.98840	12.1
64.08599	1.3
65.75652	1.3
66.69175	1.5
69.03465	3.1
70.72613	1.4
71.01385	13.9
73.02946	3.8
80.02729	1.6
81.03468	2.6
83.01401	2.2
83.05028	8.2
84.01563	1.2
85.02973	5.7
87.00928	1.8
89.02455	8.2
95.01383	2.3
95.05044	4.9
97.02971	3.7
98.22691	3.4
101.02449	12.5
101.35360	1.2
109.06585	3.2
110.03764	4.2
111.08179	8.1
113.02480	5.8
149.09727	3.7
153.12878	1.6
156.67143	1.4
161.04639	2.9
167.10809	5.5
171.10312	2.9
175.11295	2.1
177.12895	10.1
179.10767	4.0
179.14444	2.3
183.13821	2.3
193.12340	2.6
195.13914	27.5
196.14450	1.7
197.11859	4.3
203.10869	3.7
205.12401	8.1
207.10135	1.6
209.11949	2.0
211.13417	8.2
221.11845	57.2
222.12241	3.3
223.13400	73.1
224.13766	2.5
235.08289	4.5
239.12904	100.0
240.13284	4.7
247.20648	1.6
253.09328	24.8
256.13242	2.0
275.20135	4.9
291.19669	51.4
292.20004	3.1
293.21249	82.0
294.21597	5.5
369.00723	1.5
457.21127	6.8
459.22461	1.7
475.21774	15.6
525.70636	1.5
619.49115	1.7
679.15466	1.8
751.42834	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	752.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98833	100.0
62.98538	0.1
71.01405	0.1
80.96530	0.1
98.22697	0.2
170.01483	0.1
183.29405	0.1
207.10376	0.1
209.11812	0.6
210.12274	0.1
225.11336	0.1
276.18661	0.1
557.27264	0.1
752.31396	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	752.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98834	100.0
63.99263	0.2
71.01391	0.4
75.39230	0.1
78.91908	0.3
80.91711	0.4
82.95425	1.9
96.96032	0.3
97.02966	0.1
98.21673	0.1
101.02477	0.2
171.10304	0.3
197.11911	0.1
207.10327	0.2
209.11830	0.9
210.12279	0.2
223.13469	0.4
225.11409	0.2
235.08257	0.2
244.84819	0.1
275.02353	0.2
300.99918	0.3
364.77475	0.2
386.65515	0.1
709.34894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98835	100.0
69.06954	0.5
69.07357	1.3
71.01392	0.3
72.45499	0.2
75.22577	0.2
77.34989	0.2
78.91894	0.6
80.91685	0.4
82.95423	1.9
94.98147	0.3
96.95993	0.3
108.85919	0.2
109.06604	0.4
119.08700	0.3
135.08192	0.8
161.43166	0.2
169.01436	0.3
171.10278	1.6
175.03946	0.2
197.11845	0.2
207.10295	0.5
209.11853	4.1
210.12238	0.4
211.13499	0.3
223.13795	0.2
225.11432	0.7
227.12982	0.6
233.12990	0.2
253.09377	0.7
267.99567	0.2
289.18219	0.8
301.00006	0.3
307.19302	0.7
376.02576	0.3
376.22888	0.2
382.43555	0.2
390.02213	0.2
390.52762	0.2
727.40839	0.2
752.38745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
61.98832	19.5
71.01391	4.7
74.23397	1.6
85.02982	2.2
89.24740	1.8
96.96034	2.1
101.02442	4.9
109.06564	2.3
113.02454	3.8
125.02547	1.8
163.11263	3.1
169.12354	5.9
171.10289	2.6
172.90770	1.7
179.10797	2.4
189.37648	1.9
195.13933	6.8
196.14154	2.5
197.11850	100.0
198.12189	4.4
207.10300	5.3
209.11864	5.6
223.13452	4.3
225.11380	7.6
226.44931	2.1
235.08205	6.7
253.09285	17.5
275.02118	2.4
275.20126	5.3
293.21268	57.9
293.24628	2.8
294.21558	5.1
300.99866	5.0
303.53857	1.9
309.20706	6.1
362.02985	2.4
433.20605	13.3
512.95081	2.5
752.43140	9.0
753.40985	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	753.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	71.3
61.98824	12.1
71.01390	36.1
71.42365	2.6
85.02950	5.7
85.80827	2.3
89.02453	59.9
99.92601	3.1
101.02451	10.9
113.02465	9.0
116.92859	10.6
119.03552	2.8
121.02968	10.2
122.03750	8.1
123.00822	4.0
125.02448	6.7
131.03506	13.0
141.01740	5.0
149.02492	29.6
149.04562	13.4
150.03241	82.5
150.62549	3.3
151.03856	4.2
164.04790	11.7
165.05603	88.8
166.06363	31.7
167.07236	3.9
169.01399	6.4
179.07091	5.4
180.04245	4.1
181.08720	29.9
195.06642	100.0
196.06989	3.1
205.76857	2.7
255.50266	2.6
270.08942	3.4
285.11188	2.6
287.44907	2.8
298.08621	3.2
300.99954	5.4
313.10608	4.4
325.10834	3.5
341.10272	22.1
343.11780	13.1
356.12625	12.7
361.16452	4.1
371.15027	76.0
509.21677	11.6
519.20306	45.1
520.20331	3.1
523.19861	3.6
567.22369	7.1
717.27368	30.5
718.28638	4.3
753.41418	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	753.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.9
61.98835	100.0
69.03435	1.1
71.01387	7.4
73.02940	1.5
76.52790	1.1
78.91894	8.7
78.95928	1.0
79.95718	1.3
80.91690	87.8
80.96490	4.4
81.03421	3.0
82.95398	1.5
83.01400	1.2
83.05007	1.8
83.75266	1.1
85.02936	2.8
87.00849	1.5
87.22784	1.1
87.65875	0.9
89.02418	1.5
95.01360	1.8
96.96020	5.2
97.02917	2.9
98.21792	2.1
101.02421	3.0
107.01405	6.3
109.06558	2.6
111.00834	1.4
113.02433	2.1
115.04004	1.2
123.00877	9.2
124.01654	5.8
125.02457	32.5
126.02741	1.5
139.00304	2.0
140.01123	1.6
141.01828	2.6
147.00934	1.2
151.00414	4.9
153.01932	1.9
163.11229	1.7
164.98604	1.3
168.00652	5.1
169.01447	35.2
171.10175	2.6
183.02948	1.7
187.05611	1.0
197.11810	1.8
207.10242	8.4
209.10129	1.6
209.11852	19.6
211.02399	4.6
219.10011	1.0
225.00726	1.6
225.11226	4.4
227.12788	3.6
231.09853	3.0
237.14777	1.2
247.09560	7.7
249.09624	2.1
249.10959	1.1
253.09280	2.1
271.04459	3.6
275.06247	1.3
295.04376	1.3
300.99725	1.5
313.05542	2.0
439.20944	2.0
461.19855	1.3
465.16629	1.8
483.17319	2.0
569.22266	1.3
601.24841	2.0
604.41486	1.1
635.30432	1.6
653.31256	3.4
671.32343	4.0
721.23206	2.2
721.35803	2.5
753.25562	62.7
754.25873	5.8
775.12018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.6
61.98835	94.0
67.04026	0.8
69.14489	4.4
71.01387	5.2
73.02955	1.7
78.95928	0.8
79.95747	29.7
80.96525	52.3
82.95393	0.6
82.96103	0.9
83.01406	1.4
83.05040	1.9
85.02952	2.4
87.00890	1.6
88.98830	1.6
89.02464	2.7
94.98093	2.8
95.95240	2.5
96.96024	37.1
97.02991	1.6
101.02462	4.8
106.98102	1.2
109.05922	0.8
109.06569	3.5
113.02480	2.9
115.04000	0.8
116.92903	1.4
119.03471	1.4
125.01604	0.7
125.02408	3.7
128.10405	0.7
143.03513	0.7
161.04514	1.2
163.11325	4.0
164.98663	1.4
165.12869	1.3
169.01419	1.8
181.12404	0.9
195.42389	0.8
199.09819	1.2
201.11388	0.7
207.10249	5.1
209.09846	1.9
209.11842	35.3
210.12314	1.2
225.00764	3.5
225.11292	2.6
227.12886	3.3
247.15778	0.7
253.09164	1.8
275.02054	1.1
300.99899	2.8
461.55804	0.8
489.35065	2.2
649.38239	1.4
667.39252	1.2
735.28821	4.2
753.30011	100.0
754.30322	8.9
755.42963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71695	1.0
59.01381	15.1
61.98834	100.0
69.03401	0.8
71.01383	8.5
73.02937	2.4
77.82866	0.9
78.91908	1.1
78.98593	3.4
79.95744	74.7
80.96524	63.5
85.02947	2.6
87.00861	3.0
88.98799	1.2
94.98083	13.8
95.01325	1.2
96.96001	4.0
97.02951	2.4
101.02443	2.9
103.00362	3.3
103.01476	5.1
105.01919	1.6
106.98087	3.6
113.74870	0.8
116.43169	0.9
116.92821	1.1
122.97589	5.2
123.00940	1.2
125.02475	4.9
127.04026	1.1
134.97580	3.4
136.99118	1.6
148.99162	6.3
152.98637	5.4
161.04468	2.2
164.98663	9.6
169.01387	3.0
171.10291	1.5
175.96289	1.0
184.48483	0.9
206.99667	7.0
209.11826	3.4
210.87555	1.0
212.47838	0.8
216.56589	0.7
225.00735	21.4
241.00278	2.7
266.16614	0.9
273.16925	1.0
275.01993	1.2
283.04971	2.6
300.99881	1.7
341.05460	6.2
355.06985	1.6
425.14932	5.1
449.27795	1.4
481.17758	0.9
483.15152	1.6
509.16937	5.8
551.17963	1.3
567.25562	1.3
568.17834	1.9
581.18982	1.9
607.82166	1.0
609.22284	3.2
623.26556	1.3
651.27252	4.7
652.27924	2.0
735.29126	27.9
736.29645	3.1
753.30072	38.8
754.29700	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.4
59.01376	19.1
61.98836	85.0
65.24281	1.7
69.03445	3.0
71.01392	10.3
73.02943	3.2
78.91913	5.1
79.95744	4.0
80.91719	1.8
80.96560	2.8
81.03493	4.0
82.95435	4.0
83.05016	3.6
85.00433	1.8
85.02962	3.9
87.00899	3.3
89.02453	4.3
93.03442	1.9
93.07101	2.8
94.92515	2.8
94.98099	10.1
95.05041	5.6
96.96003	10.0
97.02972	11.8
97.06573	3.8
101.02450	7.8
106.04293	1.9
108.04554	1.8
109.06596	5.7
113.02427	5.4
119.03463	2.0
119.08709	2.0
121.06582	3.3
122.27017	2.3
123.08176	3.3
125.02439	3.4
125.09748	4.2
149.09711	2.3
161.04604	2.3
163.11305	4.5
167.10713	2.8
171.10271	2.8
179.10823	2.3
179.14340	3.2
185.11870	5.5
195.13901	8.3
197.11833	5.8
205.12347	9.2
207.10237	12.3
209.11838	42.8
211.13457	3.1
223.13399	100.0
224.13747	2.4
225.11349	18.6
227.12918	7.9
235.08138	3.8
244.82993	1.9
245.19012	2.0
249.11354	3.8
251.77095	2.0
253.09244	11.3
267.12393	5.3
289.18140	11.6
291.19623	5.3
300.99792	2.9
307.19122	9.0
309.20682	9.5
313.65640	2.0
362.33093	2.5
443.19385	2.2
445.21094	2.6
461.20450	2.8
503.20999	4.0
600.69727	1.9
647.33917	1.9
709.34393	79.9
710.35065	6.3
753.32404	25.8
753.53613	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	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.9
59.01384	23.2
61.53579	1.2
61.98825	5.4
63.35307	1.3
69.03443	4.6
69.13354	8.8
71.01389	15.5
71.05023	2.8
73.02949	2.1
75.00886	1.6
76.13962	1.4
80.02670	2.0
81.03458	2.4
83.01382	3.1
83.05023	8.3
85.02957	5.3
87.00883	3.2
89.02440	9.0
95.05036	2.6
96.96014	2.6
97.02950	5.6
97.06590	4.0
99.00869	2.5
101.02460	13.1
107.90754	1.6
109.06605	23.9
110.03732	2.0
111.04537	2.2
111.08152	6.3
113.02454	4.9
119.03561	1.7
121.06583	3.7
123.04538	1.4
123.08171	2.2
125.09731	4.5
125.20854	1.1
127.07671	1.7
135.08177	3.6
136.05322	2.3
137.09647	1.4
145.05057	1.6
149.09740	1.9
151.11299	2.2
153.12851	1.9
155.69194	1.3
161.04549	4.5
161.09764	3.4
163.11302	23.1
165.12849	3.8
166.94655	1.4
169.12297	7.7
171.10257	8.7
179.10767	5.3
181.12335	5.1
185.11838	3.8
189.09262	2.0
191.10742	1.9
191.14449	2.3
195.13887	2.9
197.11838	91.4
198.12140	4.3
198.39793	1.4
199.13361	3.2
207.10281	61.0
208.10641	3.9
209.11841	85.0
210.12207	5.0
211.13370	9.3
223.09764	2.4
223.13342	3.3
225.11320	37.7
226.11702	2.6
227.12912	12.9
235.08215	8.2
241.10858	2.7
245.19099	5.9
253.06821	1.1
253.09297	29.0
254.09648	1.7
263.19958	6.4
265.17993	1.7
289.18073	21.5
290.18469	1.7
291.19687	20.8
292.20142	1.6
293.21143	12.1
307.19162	25.6
308.19547	1.6
309.20728	47.3
310.21094	4.5
360.19513	1.4
443.19049	3.3
445.20926	2.4
459.19107	1.5
461.20499	9.2
499.30722	2.4
527.28027	1.7
543.27942	2.3
637.33112	1.7
717.38849	1.5
735.39648	5.6
753.40741	100.0
754.40930	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01384	10.4
61.98813	0.7
64.68970	0.4
69.03457	1.3
70.47794	1.0
71.01388	6.0
73.02941	1.7
73.79413	0.4
80.02684	1.0
81.03467	2.5
83.01388	2.2
83.05035	5.5
84.02181	0.8
85.02963	2.1
87.00892	1.4
87.93391	0.4
89.02456	4.2
93.03466	0.6
95.01411	0.5
95.05011	2.0
97.02957	3.1
97.06599	2.9
99.00907	0.8
101.02451	5.0
107.05045	0.7
109.06599	10.8
110.03725	1.5
111.08170	3.5
113.02448	3.0
119.03512	1.4
119.40636	0.4
121.06605	1.8
123.04553	2.0
123.08170	1.4
125.02554	0.6
125.06096	0.7
125.09754	4.2
127.07691	0.8
135.08189	3.0
136.05269	0.9
137.09734	1.1
142.02608	0.4
145.05142	0.5
151.11285	1.0
161.04597	2.1
161.09732	1.2
163.11299	11.5
163.12688	0.5
164.11592	0.5
165.12842	3.3
166.34106	0.5
169.12317	1.7
171.10283	2.5
179.10768	1.0
181.12376	2.1
185.11868	3.8
189.09238	0.6
191.10832	1.7
191.14449	3.4
197.11847	13.0
198.12218	0.7
199.13358	0.8
207.10281	30.6
208.10638	1.7
209.11845	100.0
210.12166	5.8
211.13396	2.8
217.16058	0.7
225.11330	14.0
226.11790	0.8
227.12914	11.9
228.13319	0.7
235.08232	4.4
237.11272	2.2
245.19104	9.0
246.19525	0.8
249.15002	0.7
253.09315	16.0
253.12025	0.8
254.09813	0.8
263.20145	2.8
271.17072	0.9
281.21161	0.5
289.18112	34.0
290.18500	3.0
291.19687	5.4
292.20273	0.5
299.14905	0.8
307.19165	30.1
308.19308	2.2
309.20758	15.7
309.23419	0.4
310.21060	1.5
345.20270	0.5
395.58057	0.6
443.18967	1.1
445.20834	1.0
461.20126	3.2
499.30496	0.7
517.31714	0.5
525.27307	0.5
543.28247	0.5
637.32513	1.2
735.39929	1.9
753.40656	11.4
754.41418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55957	0.5
55.97049	0.5
56.51113	0.6
56.63835	0.6
59.01385	100.0
60.01677	0.6
61.98836	48.0
71.01427	1.4
75.00871	3.1
79.95744	4.1
80.96524	5.7
89.02473	0.6
89.19453	0.6
94.98092	1.4
96.96045	1.2
101.02494	1.1
103.00422	26.5
103.01504	62.3
103.04101	0.9
123.00909	1.0
125.02491	1.3
135.36058	0.5
152.98676	0.6
164.98701	1.7
169.01447	1.2
171.10245	0.6
176.49277	0.6
209.11888	1.0
217.01512	0.6
225.00862	1.6
357.66617	0.5
709.38428	0.6
735.29901	1.9
753.30048	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	754.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64369	1.2
55.56638	1.1
56.66857	1.1
59.01390	10.8
61.98840	1.3
69.38138	5.5
71.01379	5.3
73.02949	1.5
74.70770	1.2
75.64505	1.0
79.01877	1.1
80.78482	1.0
81.03458	1.7
83.16061	1.1
85.02969	1.1
89.02460	3.6
89.28615	1.2
95.01403	4.0
96.01278	1.1
96.96020	2.4
97.02970	1.4
101.02464	3.7
102.32825	1.1
107.01398	7.1
111.00948	2.2
115.03980	1.6
122.99432	1.1
123.00893	12.7
124.01670	11.8
125.02458	40.0
125.36023	1.0
126.02825	1.6
135.04520	3.8
136.04860	1.8
139.00395	3.2
140.01184	4.5
141.01920	2.5
147.30544	1.1
151.00406	6.2
165.05597	1.2
166.99910	1.4
168.00620	7.1
169.01445	53.6
170.01730	1.7
179.03477	1.8
193.05150	1.3
211.02466	2.2
271.04608	1.5
288.94772	1.0
301.00006	2.3
313.05606	1.6
332.09433	1.4
391.53223	1.8
436.59464	1.3
488.31180	1.6
492.22318	1.3
521.20380	9.7
539.21326	12.4
540.21686	1.7
603.13599	1.7
691.22461	100.0
692.22601	8.6
754.27179	1.8
754.41309	2.4
755.12738	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	754.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98836	100.0
62.98521	0.2
64.63672	0.1
67.98006	0.1
69.65924	0.1
69.66270	0.4
71.01395	0.1
78.95918	0.2
80.96543	0.5
88.98836	0.2
89.02471	0.1
91.82969	0.1
94.98106	0.2
101.02482	0.2
109.09362	0.1
125.02505	0.4
152.86317	0.1
164.98676	0.2
169.01515	0.4
194.36386	0.1
194.80698	0.1
197.26625	0.1
209.11937	0.4
225.00778	0.2
299.38467	0.1
300.99915	0.2
390.85803	0.1
438.57834	0.2
482.07001	0.1
538.02271	0.1
568.22974	0.2
754.29791	0.7
755.31677	0.3
777.86945	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	755.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.0
59.99505	0.9
69.03451	3.2
69.25399	1.4
69.25800	3.1
71.01395	5.2
72.99326	1.0
73.02947	2.7
79.01890	3.3
81.03451	3.2
82.95429	1.8
83.01379	1.2
85.02988	1.9
87.00869	2.4
88.98805	4.0
89.02448	3.0
95.01393	9.0
96.96013	1.1
97.02950	4.2
101.02441	3.0
107.00719	1.5
107.01395	19.8
111.00893	2.3
113.02441	1.8
115.04004	1.5
117.03481	1.1
119.03539	1.3
119.05036	1.1
123.00897	30.6
123.04605	0.8
124.01674	22.4
125.02457	100.0
127.00357	1.2
131.03435	0.9
135.04517	2.4
136.98778	1.7
137.02420	3.1
137.06122	1.3
139.00423	5.5
140.01195	5.2
141.01935	3.7
147.04483	1.7
149.02383	1.2
151.00369	6.7
163.03993	2.5
163.06097	1.3
166.99893	5.7
168.00658	11.3
169.01437	95.1
170.01791	1.7
175.04015	1.8
179.03502	2.0
191.03584	1.3
193.01523	1.0
205.05066	1.0
205.07068	0.9
209.04565	0.9
211.02415	1.7
247.02429	0.9
249.04068	2.2
271.04544	1.7
295.04480	1.5
300.99887	1.3
313.05655	2.1
377.06744	1.1
415.10272	1.8
417.11789	1.6
433.11517	8.1
451.12494	16.2
585.12677	21.2
586.12598	1.7
603.13586	31.5
604.13812	3.3
755.14703	74.2
755.42072	5.9
756.15247	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	755.2052
Annotation	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
59.01389	2.4
65.00343	1.7
68.52101	1.0
69.34948	4.1
71.01398	2.6
80.56628	0.9
83.01404	1.1
89.02457	2.1
95.01373	1.1
96.96037	2.9
107.01397	3.0
109.02947	1.5
115.00379	3.2
119.05024	3.7
121.02963	1.4
123.00897	1.5
125.02445	3.1
133.01427	9.9
135.00908	1.2
135.04523	1.4
145.02855	1.0
148.01750	1.2
149.04605	1.1
151.00377	8.0
155.57788	0.9
161.02414	2.2
163.00435	1.7
163.04027	4.1
169.01443	3.0
175.04102	2.1
178.99846	2.0
183.04514	1.3
189.02022	1.5
191.03510	1.8
199.03972	3.0
201.01811	1.3
203.03502	1.2
214.90294	1.1
217.01514	2.0
226.02670	1.2
227.03519	2.9
229.05191	1.1
242.02219	1.0
243.03020	6.4
245.00923	1.6
247.02533	10.7
255.03082	5.8
271.02496	59.1
272.02893	3.0
273.00403	4.5
275.01993	2.8
276.02249	1.3
288.71533	1.0
291.01511	4.8
299.01990	100.0
299.99295	1.7
300.02731	33.9
300.99960	7.7
301.03494	38.0
302.03860	2.0
428.89941	1.0
446.08563	16.0
447.09363	7.5
453.06458	1.4
475.18283	2.5
609.14783	24.6
610.15436	1.6
755.20465	79.1
756.20905	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	755.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03453	0.7
59.01387	7.4
59.75064	0.5
61.98835	100.0
62.98544	1.2
63.99260	8.8
69.03455	0.8
71.01398	3.3
73.02948	1.1
80.91695	4.1
80.96539	0.8
81.03472	1.2
82.95423	5.9
83.01385	0.8
83.05054	1.9
85.02952	1.3
87.00880	1.1
89.02478	1.1
93.03494	0.9
95.01370	0.7
95.05039	1.7
96.96010	1.3
97.02968	6.0
97.06573	1.4
98.22609	1.3
99.54474	0.5
101.02473	1.9
102.21754	0.5
103.01517	0.8
105.01944	2.6
107.05084	1.0
109.06599	8.4
110.03765	0.6
113.02477	1.4
116.92883	0.8
123.08209	0.9
125.02495	0.9
125.09737	1.9
135.08168	1.2
161.04588	0.9
163.11304	4.8
177.12892	0.6
179.14534	1.0
181.12370	1.6
185.11874	1.5
200.77896	0.5
205.12354	1.4
207.10271	12.5
207.12091	1.0
209.11841	12.1
223.13417	20.5
223.15565	1.1
225.11327	6.2
227.12936	1.7
231.10153	1.4
235.08284	0.7
245.11966	0.9
249.11275	0.9
253.09294	2.0
267.12564	1.6
301.00140	0.8
301.18256	0.6
413.23303	0.9
431.24335	1.3
461.20486	1.3
503.21808	0.9
667.33997	0.8
672.33905	0.8
711.32159	23.7
712.32849	1.7
755.31696	9.2
755.44104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01387	18.7
60.99275	1.0
61.98825	3.0
62.12268	0.8
63.96220	1.4
67.29161	0.9
71.01389	16.5
72.99306	1.4
73.02946	6.0
75.00861	1.2
78.98603	6.7
79.95739	14.5
80.96524	77.1
81.03436	1.6
83.01415	1.7
85.02950	5.3
87.00887	4.5
87.04512	1.3
88.71613	1.1
88.98807	5.1
89.02455	4.6
94.98095	16.7
95.01421	1.4
96.96007	4.1
97.02946	2.7
99.00847	1.8
101.02446	8.0
106.98083	3.1
109.02962	1.0
113.02432	3.4
116.92879	2.2
119.03515	2.5
122.97582	3.6
123.00861	1.7
124.01664	2.2
125.02449	7.6
131.03520	1.5
134.97563	5.6
135.04520	2.1
136.99153	1.5
138.01886	1.0
143.03557	1.6
148.99142	6.4
150.03156	1.3
152.98676	6.4
158.02991	0.9
160.01793	1.1
161.04567	2.1
163.06128	2.1
164.98669	15.3
169.01425	7.8
179.03389	1.3
179.05586	1.9
182.67288	0.8
201.11308	3.0
205.06992	1.4
206.99611	2.7
209.11794	4.9
221.06656	1.6
225.00769	27.3
275.02094	1.6
300.99960	2.5
373.13177	1.2
385.62433	1.1
483.15369	2.2
509.16989	3.4
527.17896	1.4
590.89240	1.1
617.07544	2.0
664.49463	1.0
677.36047	1.3
711.28345	4.5
754.40228	1.1
755.31543	100.0
756.31757	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	755.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35781	0.9
58.00577	1.3
59.01382	5.5
68.34253	0.9
70.76682	0.8
71.01392	1.5
85.02952	1.4
101.02464	1.4
107.89128	0.8
108.02168	2.9
113.02442	3.7
123.04494	1.1
131.97774	0.9
137.41553	0.9
147.04466	1.0
150.03267	2.0
152.01175	5.6
161.04605	1.7
165.05553	2.5
167.03506	10.3
169.01414	2.0
275.01978	1.0
276.84558	0.9
300.99759	5.1
349.67645	0.9
441.29974	1.4
489.32278	74.7
490.32471	3.9
502.19458	1.1
503.20105	2.1
521.53857	1.0
533.31238	100.0
534.31702	4.6
547.32947	4.5
565.82031	1.1
575.32257	37.1
576.32477	2.5
605.33478	5.2
635.34613	6.2
695.36481	30.5
696.36945	1.3
741.54779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64437	1.6
57.03458	6.2
58.24321	1.7
59.01387	100.0
60.01729	1.6
61.98826	2.6
69.03460	4.4
69.11887	12.1
69.20513	1.6
71.01391	46.2
72.99323	2.2
73.02956	53.9
75.00868	2.1
83.01379	14.2
85.02962	20.1
87.00886	6.9
87.04509	9.7
88.98837	2.9
89.02455	21.5
95.01402	6.0
96.96006	2.3
97.02976	2.9
99.04527	2.5
101.02461	36.8
103.04060	2.6
104.24300	2.0
107.01411	5.0
107.87003	1.8
111.04585	1.8
113.02474	23.7
115.04021	6.0
119.03481	9.0
119.05082	1.6
121.02946	3.6
121.06620	1.9
122.03766	2.1
123.00916	9.6
124.01680	8.0
125.02472	32.5
127.04044	4.4
131.03522	8.0
137.06117	5.1
143.03500	5.1
147.04535	7.4
149.04596	2.3
150.03226	3.0
151.00383	2.8
155.10817	3.8
161.04610	8.9
163.06120	9.6
165.05566	3.7
168.00696	2.7
169.01448	33.0
179.05608	1.9
187.13460	2.9
191.10793	3.2
205.07205	3.8
206.86189	1.8
233.15431	5.6
235.13400	4.4
243.13985	2.9
245.15530	25.2
247.08310	3.3
247.13432	2.8
247.17139	2.7
249.14978	3.8
257.15530	3.6
261.15082	4.3
263.16534	34.6
264.16956	2.4
289.07452	9.0
300.99936	3.0
313.05655	3.4
314.46420	1.9
317.17514	7.4
319.19125	3.2
325.18182	2.3
336.90878	1.7
361.20123	6.5
419.56314	1.8
433.11545	3.2
451.12674	9.5
489.32303	19.8
555.27893	2.0
603.13696	29.8
604.13824	6.4
609.35675	2.2
651.37360	31.5
669.38544	10.8
711.39618	80.9
712.39880	2.5
755.14038	8.8
755.28741	3.3
755.42133	42.6
756.15106	3.4
788.80402	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	755.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
60.99312	15.9
61.98830	1.4
66.83502	0.3
71.01379	2.5
71.69093	0.4
73.02945	1.0
85.02956	1.0
87.00888	1.7
88.00406	0.9
88.98814	100.0
89.02454	8.9
101.02468	1.4
113.02448	0.7
115.04026	0.6
119.03479	0.5
123.00877	0.8
124.01671	0.6
125.02472	2.2
131.03572	0.5
135.04535	0.6
138.77371	0.4
143.03485	0.5
149.02495	0.4
150.03232	1.2
151.00305	0.4
152.66438	0.3
161.02492	0.4
163.06161	0.6
165.05605	1.1
166.06198	0.4
169.01431	2.3
170.01846	0.3
179.03566	0.3
179.46176	0.3
181.05138	0.4
181.08679	0.4
183.07664	0.3
195.06618	0.7
205.07219	0.8
300.99979	0.8
345.60721	0.3
371.15149	0.4
531.22351	0.5
669.26172	0.8
717.27863	0.8
737.40796	0.5
755.29181	0.8
755.42279	3.7
756.24530	0.4
756.41431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
59.01378	5.5
61.98826	3.4
62.02681	0.6
67.01902	1.3
70.30302	1.4
71.01390	3.9
72.48380	0.6
73.02947	1.5
80.02666	1.6
80.91687	0.7
81.03442	1.3
82.95425	0.9
83.05033	4.1
84.02152	1.7
85.02969	1.3
87.00851	0.8
89.02429	3.3
95.05035	1.3
96.96014	4.3
97.06583	1.1
98.22523	0.6
101.02444	2.7
103.77656	0.7
109.06625	1.0
109.44775	0.6
111.08135	1.4
113.02460	2.2
119.03545	0.8
121.10268	1.3
125.02441	0.7
125.09728	2.5
135.08130	1.4
145.05061	0.9
153.92682	0.7
159.67621	0.6
161.04578	1.9
163.11302	4.1
165.12886	2.4
169.12404	0.6
171.10295	10.8
179.05766	0.6
181.12419	1.1
185.11821	2.5
193.04970	0.6
197.11858	2.5
199.13403	1.8
209.11848	100.0
210.12201	4.1
211.13420	48.3
212.13733	1.5
223.13353	1.1
225.11371	0.9
227.12907	21.1
228.13304	1.4
233.15314	1.0
235.08221	3.7
251.16553	5.0
253.09299	13.0
273.18713	1.0
289.18152	1.5
290.18362	1.0
291.19696	35.7
292.20032	1.5
309.20715	11.8
310.20795	0.6
329.20987	0.7
445.20871	1.6
447.22430	1.3
527.28564	2.8
639.33826	1.2
715.53815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
57.69413	0.3
57.80428	0.3
57.89582	0.3
59.01385	5.8
62.82738	0.3
69.03458	0.6
71.01389	3.2
73.02939	0.6
80.02686	1.1
81.03449	1.1
83.01395	0.5
83.05035	4.7
84.02175	0.9
84.54275	0.3
85.02953	1.0
87.00885	0.8
89.02454	2.4
95.05032	0.8
97.02973	0.9
97.06638	0.4
98.21902	0.7
101.02444	4.0
109.06598	0.7
110.33364	0.3
111.08171	5.5
113.02480	1.5
119.03553	0.8
121.89442	0.4
125.06125	0.8
125.09719	0.4
132.03383	0.3
135.08150	0.7
137.09702	0.4
142.05096	0.3
145.04970	0.4
151.11256	0.5
161.03435	0.3
161.04541	2.0
163.11302	4.0
165.12866	2.9
165.37502	0.3
169.12340	2.5
171.10301	1.9
179.05571	0.7
179.10683	0.4
179.14505	0.3
181.12335	1.2
191.10757	1.0
197.11841	24.4
198.12228	1.0
199.13371	1.2
207.10197	0.5
209.11838	100.0
210.12173	4.1
211.13408	3.9
212.13643	0.4
225.11366	0.3
227.12909	11.1
228.13368	0.4
235.08229	2.8
247.20590	0.6
253.09306	10.8
263.20135	0.8
265.18170	0.7
273.18671	0.4
291.19699	12.6
292.20065	0.8
293.21259	0.7
309.20728	34.8
310.21066	2.0
365.77435	0.3
445.20816	0.7
527.28394	0.4
545.29584	0.6
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
53.94179	0.4
55.01853	0.4
57.03444	0.6
58.00599	0.6
59.01378	5.4
67.14613	0.3
69.03456	0.8
71.01384	3.9
73.02938	0.7
80.02670	1.4
80.41521	0.3
81.03470	1.1
81.88448	0.3
83.01390	0.6
83.05026	4.1
84.02171	1.2
85.02954	0.8
87.00896	0.6
89.02451	3.6
95.05019	0.9
98.22698	0.8
101.02451	4.0
111.08167	6.0
113.02446	1.8
119.03496	0.7
125.06113	0.4
127.07594	0.6
135.08133	0.7
144.45583	0.4
151.11304	0.7
153.12869	0.6
161.04561	2.1
161.05690	0.4
163.11317	3.7
165.12827	2.8
169.12297	2.6
171.10303	0.9
173.09810	0.4
176.86409	0.4
179.05623	0.8
179.10809	0.4
181.12367	0.8
183.13910	1.1
191.10771	1.0
197.11836	33.0
198.12166	1.1
199.13458	2.0
207.10275	0.4
209.11836	100.0
210.12123	3.8
211.13405	6.0
211.38074	0.4
225.11269	0.7
227.12909	12.5
228.13200	0.5
235.08224	3.4
253.09309	15.7
254.09625	0.4
257.31329	0.4
263.20221	2.3
265.18051	0.6
269.10892	0.4
291.16470	0.7
291.19681	13.0
292.19904	0.9
293.21408	0.9
309.20724	45.5
310.21149	2.7
433.20886	0.5
445.20715	1.0
501.32260	0.7
519.33362	0.5
527.28442	0.9
545.29584	0.8
653.36145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03445	1.0
59.01379	8.4
71.01385	4.6
73.02936	1.3
77.95460	0.5
80.02637	0.9
81.03461	1.7
83.01364	0.8
83.05029	4.6
84.02200	1.0
85.02944	1.5
86.82852	0.7
87.00890	1.1
89.02444	3.0
93.58375	0.6
95.05003	0.6
96.84075	0.5
97.02957	1.0
97.06602	1.1
98.22708	1.0
101.02442	3.1
101.86855	0.5
105.35594	0.6
109.06582	1.1
111.08169	3.8
113.02476	2.8
119.03487	0.8
135.08215	1.1
161.04582	2.4
163.11288	5.3
165.12897	3.5
167.10794	0.7
167.14441	0.8
169.12338	1.4
171.10309	3.8
177.40683	0.7
179.05583	1.3
181.12375	2.5
183.13945	1.3
191.10855	0.8
193.12361	0.8
195.13853	1.4
197.11835	14.8
198.12140	1.0
199.13455	1.5
201.11279	1.8
207.10294	2.4
208.10695	0.7
209.11845	100.0
210.12215	4.3
211.13435	7.1
221.15468	1.1
222.66380	0.6
225.11327	2.9
226.11684	1.0
227.12912	15.9
235.08286	4.1
247.20631	1.5
253.09325	15.1
263.20187	1.5
273.18591	1.9
281.21405	0.8
291.19684	28.7
292.19995	1.7
293.21274	2.0
307.19339	0.7
308.19287	0.7
309.20734	72.0
310.21210	5.1
311.21494	0.8
325.20288	1.1
445.20901	1.1
462.03912	0.6
527.28473	1.5
528.29523	0.7
545.29688	9.6
546.30237	1.6
737.41632	1.9
755.42328	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	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
58.00599	1.7
59.01384	15.2
67.84798	1.2
71.01389	35.4
71.05042	1.3
72.99314	1.4
73.02960	6.3
81.03496	1.4
83.01389	2.3
83.05032	5.4
84.02143	1.3
85.02959	4.8
87.00880	4.4
89.02465	4.3
95.01391	1.4
95.05024	2.4
97.02959	3.5
97.06602	2.0
99.00877	2.2
101.02466	7.5
109.06593	8.8
111.08120	2.9
113.02456	4.8
119.03521	2.8
120.20957	1.2
121.10259	1.7
125.09723	4.7
127.11327	2.1
135.08209	1.7
137.09824	1.5
143.03479	1.9
155.10767	2.0
161.04573	3.6
163.11310	10.5
165.09235	2.3
165.12764	1.3
167.10835	1.8
169.12328	2.1
171.10281	61.4
179.10905	1.8
181.12386	4.1
185.11816	3.8
189.09392	1.5
195.13890	8.5
196.14519	1.8
197.11850	4.1
199.09798	1.4
201.11333	33.3
205.12431	1.5
207.10278	28.8
209.11844	41.0
210.12161	2.8
211.13367	1.6
215.12912	4.1
223.13408	5.6
225.11336	43.8
226.11679	3.0
227.12897	5.4
235.08282	5.4
243.12299	2.9
249.20940	1.4
251.07942	1.1
253.09285	24.2
256.13129	1.2
275.20126	12.3
276.20520	1.5
291.19684	21.4
293.21246	100.0
294.21591	6.2
295.10370	3.4
309.20636	3.2
443.19312	2.8
461.20212	9.8
479.21631	2.3
737.41376	5.1
755.42279	4.7
779.87201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11217	1.4
59.01385	17.3
69.03451	2.8
69.45983	4.9
69.46386	2.8
71.01389	6.3
73.02949	6.1
89.02447	2.7
95.01415	3.5
95.02015	1.7
97.02985	1.9
98.22652	2.9
101.02461	5.3
103.29139	1.6
107.01408	7.1
111.00867	2.1
113.02458	4.2
119.03524	2.1
123.00902	12.1
124.01686	14.0
125.01537	2.5
125.02460	44.4
137.02492	1.4
139.00391	1.4
140.01094	2.1
142.06676	3.6
143.07059	1.5
151.00378	6.4
161.04591	2.2
168.00682	7.6
169.01462	48.3
170.01807	2.2
177.48119	1.7
186.05609	2.6
204.06848	3.2
211.02496	2.6
246.07687	2.6
275.02176	3.1
300.99847	6.6
302.00143	1.8
313.05737	2.0
362.42151	1.5
448.22018	1.9
476.85004	1.7
523.21704	7.9
541.22888	17.3
552.37158	1.8
604.13733	2.9
605.11212	3.8
674.59900	1.7
693.24054	100.0
694.23981	5.6
727.12732	1.9
756.14014	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
59.96570	0.8
61.98838	5.9
67.01888	1.9
69.03445	2.5
69.33425	2.0
69.33835	2.9
71.01379	2.9
72.71733	0.9
73.02966	0.9
73.91525	0.7
75.00886	0.9
78.46358	0.8
79.01897	3.3
81.03470	3.2
83.01382	1.5
87.00867	1.8
95.01401	8.2
97.02952	5.0
97.78094	0.8
101.02438	1.3
103.00370	1.1
107.01400	14.7
107.05078	0.9
111.00896	2.9
113.02457	1.4
119.23217	0.8
123.00892	31.0
124.01676	27.7
125.02454	99.4
126.02770	1.7
127.00363	1.8
136.98827	2.0
137.02498	1.5
138.03249	1.1
139.00362	4.1
139.04051	4.2
140.01167	5.5
141.01898	4.1
147.04517	1.4
149.02477	1.0
151.00386	5.5
151.03989	1.0
161.02425	1.2
163.04025	1.5
165.02031	0.9
166.99849	7.0
167.03580	1.6
168.00656	15.3
169.01434	100.0
170.01735	1.7
175.03966	1.4
177.02061	1.2
179.03476	2.0
181.01241	0.9
183.02997	3.5
191.03490	1.8
193.01390	2.6
211.02452	2.7
220.89035	1.0
223.02556	1.8
235.02348	1.1
237.04094	1.3
249.04054	1.1
279.05103	1.7
295.04587	3.4
297.06052	1.4
306.03125	0.9
311.36935	1.0
313.05707	11.0
426.84253	1.0
435.09317	5.0
453.10175	4.3
465.06693	7.3
587.10498	28.0
588.11206	1.8
605.11499	43.0
606.11615	4.7
617.07617	1.5
757.12628	75.3
758.12830	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	757.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60565	1.8
58.00336	1.7
66.12531	1.6
69.81868	6.2
69.82253	2.8
107.05066	4.5
113.13757	1.9
121.02975	6.8
122.62402	2.2
132.02159	3.3
133.02966	2.4
151.97520	2.1
177.05585	1.9
179.03419	4.2
181.01840	4.1
191.00270	22.5
211.16032	1.7
218.99721	2.4
223.02814	3.7
233.01384	22.6
234.99286	14.5
239.05647	7.6
247.02443	3.5
248.02707	2.5
249.00803	2.7
271.06583	19.5
277.00327	43.0
281.05005	20.6
290.98248	3.5
292.99756	2.7
295.06564	2.3
297.04453	14.0
299.05884	3.8
300.99591	2.8
309.04254	2.7
325.03992	41.3
326.04330	2.7
337.02536	2.7
343.04889	2.4
351.00195	3.0
381.03461	3.9
397.02444	62.9
397.07556	3.5
398.02621	3.2
409.51282	2.0
441.05121	6.0
455.06720	4.3
457.04581	100.0
458.04865	4.7
481.06326	2.7
500.41180	1.8
517.06714	73.7
517.14526	3.9
518.06842	2.7
643.90491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
58.00592	3.0
59.01384	100.0
71.01388	60.8
71.40623	0.9
72.99319	2.9
73.02950	0.9
85.02959	8.4
87.00879	1.9
89.02454	84.7
93.76802	0.8
101.02460	8.4
108.02206	2.2
113.01721	1.2
113.02457	12.5
117.03439	1.1
119.03508	4.7
119.04959	0.9
121.02948	3.8
121.11996	0.8
123.00916	1.3
123.04538	2.8
125.02443	2.8
128.11053	0.9
131.03517	23.6
133.01450	3.1
133.03012	1.6
134.03748	1.1
135.04549	1.6
145.02968	6.1
146.03760	1.6
147.04538	2.3
148.38455	0.9
149.04565	48.8
150.03284	1.2
150.04942	0.9
161.02466	5.3
162.03239	80.6
163.03752	3.3
165.05583	3.4
166.06375	15.8
169.01410	2.4
174.16817	0.8
177.05583	84.5
178.06012	4.0
180.04285	1.7
181.08725	6.4
191.03510	1.0
191.05652	1.6
195.06621	4.9
198.89500	0.8
213.82117	0.8
215.68121	0.8
217.01451	1.5
222.57994	1.0
245.00981	1.4
247.02533	4.6
254.00589	0.8
273.00360	2.0
275.02029	2.1
291.01602	1.0
299.02054	1.0
300.99945	3.7
309.09763	1.6
327.10828	5.7
451.12363	1.7
487.30792	3.0
491.19357	3.7
509.20291	34.9
510.20670	4.1
535.32770	18.1
551.21503	2.4
577.34155	1.5
757.09027	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	757.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03452	1.7
59.01384	11.3
69.03456	1.2
69.42194	1.4
69.42587	2.2
71.01385	8.4
72.99314	1.7
73.02949	1.4
75.00874	9.3
80.74039	0.7
83.01404	1.3
83.20038	0.8
84.31021	0.8
85.02951	10.3
87.00887	2.8
89.02473	2.1
93.03445	1.1
95.01401	3.5
99.00877	7.1
101.02433	0.9
109.02962	1.2
113.02451	13.6
115.00381	1.0
117.01976	2.3
121.02965	53.6
122.03328	0.9
133.01414	0.8
145.01474	3.9
163.02505	4.7
169.01421	1.9
173.02541	0.7
175.02539	1.6
203.27145	0.8
217.01378	0.8
231.05150	2.0
231.40732	0.7
239.26227	0.8
245.00995	0.9
247.02560	2.2
249.06158	36.0
250.06528	1.3
253.17101	0.7
275.01932	1.2
291.01532	0.8
299.02042	0.8
300.02887	0.9
300.99905	3.1
303.92584	0.8
342.61481	0.8
371.09848	100.0
372.10086	5.2
541.66211	0.8
757.21277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52642	0.9
55.01877	1.5
55.91520	1.0
57.03444	2.1
59.01386	12.0
61.98834	0.9
71.01381	6.9
73.02948	1.8
80.02676	2.7
81.03469	4.4
83.01383	1.9
83.05034	7.8
84.02177	2.2
85.02932	3.0
87.00883	1.6
89.02458	3.9
93.03442	2.0
95.05047	5.7
97.02953	17.0
97.06593	3.8
99.00874	1.0
101.02472	5.7
107.05045	1.0
109.06590	1.2
113.02439	3.5
119.03470	1.1
123.08172	3.3
125.02455	1.2
125.06075	1.2
125.09732	2.9
135.08163	1.8
161.04578	1.5
163.11285	8.0
165.12859	2.2
166.78566	0.8
170.02480	0.8
179.14400	3.7
185.11850	0.9
191.10815	1.2
194.57314	0.9
205.12379	6.5
209.11839	88.8
210.12210	4.8
223.13405	90.8
224.13725	3.3
225.15114	1.0
227.12886	9.9
235.08308	1.8
249.11302	4.5
253.09335	7.7
267.12350	4.6
354.51501	1.1
503.21112	5.0
544.18292	0.9
713.33911	100.0
714.34460	14.2
757.32953	47.8
758.33386	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	757.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93920	1.3
59.01380	8.7
61.39564	1.2
61.98835	3.4
62.49213	1.1
69.03453	1.1
71.01385	15.5
78.38872	1.3
81.03478	3.2
82.95421	23.0
83.01427	1.0
83.05029	4.9
84.95126	3.7
85.00439	7.2
89.01551	1.1
89.02442	3.3
96.39463	1.1
97.02963	2.1
98.21792	2.2
99.00879	1.4
101.02457	4.5
102.52953	1.2
109.06601	16.0
110.03735	1.6
113.02437	3.2
119.03440	1.3
125.09739	2.5
135.08191	2.2
135.76950	1.1
161.04602	2.2
161.09703	1.5
163.11305	10.7
165.12828	1.6
171.10330	3.3
181.12404	1.9
184.69084	1.1
185.11783	2.2
189.09204	1.8
196.16791	1.2
199.09782	2.0
207.10278	50.0
208.10620	2.7
209.11841	100.0
210.12138	3.6
223.13377	1.3
225.11346	27.5
226.11539	1.8
227.12892	16.2
235.08249	4.6
236.79388	1.2
243.12485	1.4
253.09248	11.3
265.14404	1.1
359.54575	1.0
384.72821	1.1
399.21777	3.7
417.22775	3.5
431.47253	1.3
443.19107	3.4
445.20761	1.9
461.20386	11.3
635.30731	5.2
653.31702	6.9
671.32678	13.8
672.33240	3.7
704.35468	1.3
713.33258	3.8
757.33301	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	757.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65276	20.4
55.02062	19.1
55.92050	19.3
59.01361	25.5
61.98828	100.0
69.48933	99.7
73.73626	23.2
78.59755	24.6
78.95879	24.7
98.22639	46.0
99.69437	25.4
108.53143	23.3
225.11266	40.4
277.21796	34.6
535.27899	24.4
573.69202	25.7
649.97821	22.5
721.42230	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	757.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04011	41.4
78.95937	42.3
120.15485	37.8
152.06158	37.4
207.10281	78.1
277.21643	100.0
334.49985	43.6
381.85858	48.3
757.41516	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84838	4.8
61.98840	63.7
66.94606	4.8
69.73701	19.4
88.98806	29.8
89.02469	10.7
109.06599	11.2
116.79271	6.0
163.11287	8.0
182.82535	5.8
207.10254	44.5
225.11359	20.5
235.08257	11.6
253.09286	15.5
255.23218	8.7
277.21817	100.0
353.11023	5.5
453.69617	6.1
461.20093	8.9
481.19678	5.9
513.30835	5.2
721.42035	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83463	0.3
59.01385	1.4
61.98836	100.0
69.90092	0.3
82.95423	0.7
88.98820	0.4
96.96049	0.7
98.21871	0.6
116.92866	0.6
123.00858	0.3
144.48683	0.3
171.10327	0.8
185.11816	0.8
197.11841	2.6
198.12256	1.2
199.65359	0.4
201.11630	0.3
209.11816	2.4
210.12202	0.9
211.13530	0.7
253.09435	0.9
253.12598	0.3
291.19778	0.3
292.20105	0.6
301.00009	0.5
309.20813	0.5
310.21408	0.3
311.21591	0.3
331.34735	0.3
340.67996	0.4
341.23462	0.9
342.23685	0.6
758.40588	0.7
759.24622	0.4
784.34497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
59.26941	0.2
69.94347	0.6
71.01389	0.5
73.02943	1.1
75.00880	0.7
89.55303	0.2
99.00888	0.6
99.92597	10.9
100.92588	0.3
114.93420	1.7
115.00395	0.7
116.92873	100.0
116.97247	0.8
117.01943	2.4
117.92887	4.2
146.08640	0.2
216.62367	0.2
295.15277	0.2
481.15317	0.4
491.34348	0.2
540.16742	0.2
555.19189	0.5
574.35663	0.2
641.22882	0.6
677.20398	3.6
677.31201	0.3
678.20825	0.4
701.25159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03448	0.7
69.21822	0.3
71.01334	0.6
72.99314	0.9
73.02949	0.6
74.92595	0.4
83.01392	0.8
87.00933	0.5
98.70063	0.3
99.00885	13.5
101.02460	3.6
117.01958	6.1
123.00886	1.2
124.01701	0.6
125.02464	1.6
133.02969	0.5
135.04524	3.5
145.01445	51.0
146.01811	1.0
151.00389	0.7
163.02502	100.0
164.02827	1.9
169.01421	1.7
171.44031	0.4
179.03497	2.6
217.60001	0.4
222.10051	0.3
325.05652	6.5
433.13528	9.2
434.13727	0.6
639.47577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22128	2.7
63.02206	2.7
65.04990	2.4
77.37252	2.8
108.45325	2.7
113.62562	2.6
135.04532	4.5
142.82118	2.8
163.03954	8.4
164.04773	6.7
175.04066	17.9
177.05603	5.5
190.06329	6.8
192.04286	5.9
207.06686	19.1
209.06078	3.9
209.11845	3.4
212.04726	2.8
218.05836	7.1
221.06010	3.6
222.05400	3.7
237.05545	5.1
237.07724	7.6
238.06386	3.4
239.03528	3.2
239.07060	7.1
240.04323	39.3
241.04555	3.5
249.05527	4.6
250.06395	4.4
251.07048	3.5
253.05383	3.1
254.05862	3.4
255.06516	9.2
265.05142	8.2
265.25262	3.7
266.05838	8.1
267.06686	14.2
269.08047	4.0
277.05042	3.9
278.05811	10.4
281.04443	4.2
282.05118	4.6
283.06219	14.1
292.07632	3.1
293.08463	2.9
294.05502	3.2
295.06116	40.6
296.06683	3.6
297.07724	8.9
298.08517	49.7
299.09082	3.1
306.05283	8.1
307.06323	4.8
309.04233	5.3
309.07651	6.4
310.05377	3.4
310.08545	22.4
312.09882	4.2
313.10852	60.4
314.11029	3.8
321.07684	21.7
322.04749	3.5
322.08398	6.7
324.06381	8.3
325.07092	20.6
325.10846	23.2
336.09937	8.2
337.07138	16.0
337.10727	3.5
339.08908	16.3
340.09521	14.2
343.11899	100.0
344.12350	4.4
352.09583	7.8
354.11053	10.5
355.08212	6.1
355.11920	43.7
367.11917	76.3
368.12027	4.6
373.12988	26.8
385.13107	17.3
711.24506	22.5
721.22931	3.1
729.25500	9.5
741.25995	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	759.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20460	0.9
54.27729	1.0
57.03452	2.5
59.01379	14.6
61.98822	2.8
66.76772	0.9
71.01392	9.4
73.02946	2.0
78.45815	0.9
80.02663	2.1
81.03464	12.8
83.05040	9.4
85.02950	2.0
87.00852	2.7
89.02438	4.8
90.90281	1.0
92.22049	0.9
95.01366	1.0
95.05043	1.5
97.02980	1.3
97.06588	4.4
98.22648	3.0
101.02444	5.5
107.05119	1.1
113.02454	2.7
119.03520	1.3
123.08156	2.8
125.02451	1.1
125.09745	21.6
135.04536	1.5
135.08165	1.3
139.00223	1.0
151.11266	1.6
151.80022	0.9
161.04533	1.9
163.11313	7.5
165.12816	2.4
169.01410	1.0
171.10280	3.4
181.12277	1.2
181.16010	2.4
189.12807	4.0
191.10735	1.2
201.11322	3.7
207.10291	1.6
207.13919	7.9
209.11845	85.9
210.12144	4.2
223.09906	1.0
225.11356	2.4
225.14980	100.0
226.15291	3.6
227.12918	10.5
233.11774	1.8
235.08302	2.4
251.12912	5.9
253.09322	5.8
269.13931	7.3
282.01639	1.2
300.99817	1.6
445.20425	2.4
487.21423	1.6
505.23047	7.1
629.31769	1.4
697.34424	2.3
715.35535	49.4
716.24567	1.1
716.35870	5.4
725.01447	1.1
759.34540	92.7
760.34930	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	759.359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04815	1.8
59.01390	13.7
60.51271	1.6
61.98833	9.5
70.67599	1.4
71.01385	11.3
71.43983	1.2
73.02954	3.3
77.68506	1.4
78.45181	1.4
81.03457	6.2
83.05030	6.1
83.59010	1.2
84.11944	1.3
85.02957	3.7
87.00877	4.3
88.98843	1.8
89.02452	6.4
89.32871	1.5
96.44590	1.2
96.96024	5.9
97.06594	2.7
99.00889	1.5
101.02451	6.4
109.06599	1.7
113.02461	4.8
119.03549	2.7
123.00901	2.0
123.04542	2.3
125.02460	5.0
125.09760	7.9
135.04533	1.6
153.05635	2.6
161.04602	2.5
163.11308	4.9
169.01456	6.8
171.10289	8.4
175.03815	1.7
179.05643	2.0
185.11926	1.9
187.09801	1.8
189.12935	1.6
199.09776	2.6
201.11349	15.8
203.03661	1.4
207.10298	3.1
207.13916	3.2
209.11853	100.0
209.29831	1.4
210.12198	3.2
223.09842	2.0
225.11563	7.2
225.14967	49.0
227.12926	16.7
235.08252	4.0
251.12679	2.7
253.09302	8.9
269.13934	2.9
275.02011	3.2
299.98938	1.9
300.99905	6.4
302.00250	1.6
445.20697	10.4
461.20349	1.7
463.21283	1.7
505.23044	3.0
629.31757	4.0
637.32532	1.9
647.32867	2.9
673.34222	2.1
715.35468	25.1
716.36371	2.8
759.34906	53.3
760.35010	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	759.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27671	63.6
70.28004	87.3
71.17321	41.8
78.95891	100.0
80.11189	64.4
85.58949	44.4
129.52762	46.4
152.36465	45.4
216.00832	45.0
324.48279	50.6
555.70044	51.5
633.29620	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	759.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98833	66.4
62.10996	16.0
65.39255	16.0
71.01381	32.6
71.84017	15.2
78.95918	30.9
88.18959	15.3
89.02457	53.0
90.15172	16.3
98.21842	26.7
101.02464	24.4
105.01913	19.6
119.03503	34.6
141.20201	18.0
211.13475	75.3
293.21240	61.8
336.21838	43.5
337.21915	16.9
344.43274	17.4
405.49231	16.0
422.85083	18.2
638.72260	19.6
759.41058	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	760.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95807	0.3
61.98834	100.0
80.96519	0.4
108.36577	0.3
119.64212	0.3
130.40411	0.4
140.50954	0.3
149.71893	0.3
155.17819	0.4
214.01735	0.4
243.52332	0.5
779.60211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33909	8.8
57.35078	8.1
59.01379	13.1
59.11129	9.3
61.98815	16.4
69.37109	47.5
121.02864	12.1
125.02476	11.3
135.57155	9.0
147.04532	11.7
147.68913	12.2
150.03207	11.8
163.04047	26.5
163.37617	9.4
164.04788	21.4
168.70990	9.1
169.01448	15.8
169.11147	8.9
191.03497	12.4
192.04262	10.9
207.06586	30.1
212.04726	10.1
225.05493	13.9
237.07632	15.6
240.04247	72.0
240.07965	19.1
241.04787	22.0
255.06606	74.6
256.07162	31.1
257.07324	13.1
265.05136	11.2
267.06570	26.7
268.07315	12.5
269.08188	14.5
270.09070	38.8
271.09540	49.8
272.09937	29.8
294.05524	9.9
295.06171	57.4
296.06766	13.6
298.08466	64.8
299.09317	12.9
301.10773	45.2
302.11191	33.9
303.11295	11.9
308.07050	14.1
309.07684	13.7
310.08426	41.5
313.10883	81.1
323.09210	12.7
324.09784	13.6
325.07269	13.3
325.10904	83.5
326.07880	12.6
326.11597	34.3
327.08759	34.5
328.09573	11.7
339.08682	60.5
339.12463	21.8
342.11017	27.3
343.11917	95.1
346.32471	10.0
354.10968	23.3
355.11865	41.6
357.13455	94.6
369.13452	100.0
373.12903	39.1
543.58270	10.4
731.26788	10.8
743.27338	15.8
760.04297	12.5
761.38159	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	761.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
61.61863	3.3
61.98830	7.7
70.94118	5.6
88.08658	3.2
95.31181	2.8
109.03074	3.0
150.03246	7.1
178.02710	3.4
181.05132	3.7
184.05296	6.3
184.95067	3.0
193.05032	7.0
195.04623	3.7
204.60321	3.3
207.55273	3.6
212.04753	9.4
213.05498	6.0
225.05621	23.8
226.06229	6.6
227.07179	7.0
240.04289	35.3
240.07983	15.8
241.05132	33.9
253.05212	6.1
255.06648	100.0
255.09167	6.9
256.07361	25.7
270.08994	76.0
271.09753	74.8
272.10104	4.8
286.08337	3.8
301.10837	87.3
369.13123	8.6
429.15710	5.9
468.19666	3.9
485.09106	3.8
607.41479	3.5
743.26898	3.5
761.27686	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	761.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
61.98818	1.2
93.03484	0.6
108.02187	0.8
116.92805	1.2
125.02441	1.0
132.51106	0.5
150.03212	1.1
151.04033	0.6
158.20135	0.6
162.03293	0.9
165.05583	1.3
169.01416	0.9
183.04485	1.0
184.05327	5.7
187.04124	1.4
195.04561	3.1
195.06273	0.5
196.05333	0.8
197.06155	2.6
201.74814	0.6
209.11833	2.0
211.04073	2.2
212.04803	6.5
213.05591	4.6
223.03999	2.0
224.04825	0.8
225.05621	11.1
226.06274	2.7
227.07191	5.0
240.04317	34.1
240.07953	12.2
241.05060	13.2
241.08672	1.3
255.06657	100.0
256.07321	18.1
257.07938	0.9
270.08997	82.1
271.09747	45.9
272.10242	1.8
300.09995	0.6
301.10843	73.0
302.11203	4.0
319.86633	0.6
323.09286	0.7
331.12018	0.7
339.08664	1.2
339.12402	0.7
342.11237	0.9
343.11807	0.9
356.12564	0.7
357.13535	2.5
369.13464	2.6
446.74533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	7.8
67.39703	7.2
69.69056	29.9
93.63717	6.8
98.21957	9.5
98.65495	7.7
122.03776	10.7
133.03049	10.9
134.03755	19.4
135.04541	28.6
147.04573	10.7
148.05249	9.7
149.02466	22.5
149.06099	15.7
150.03241	100.0
164.04759	13.2
165.05577	74.5
175.04056	23.2
179.03531	17.4
179.07147	12.4
193.05093	16.8
195.06638	32.2
207.06645	10.6
240.04263	15.5
295.06033	12.1
298.08472	21.8
310.08438	9.9
313.11041	14.2
326.11633	17.7
341.09961	8.8
343.11609	18.6
353.10294	8.1
368.74625	8.7
373.13507	10.2
387.14444	33.7
431.87430	8.6
478.50659	7.5
499.94589	7.4
535.19476	18.5
547.19910	58.2
683.24945	11.2
695.25476	29.1
713.26776	11.2
731.27167	44.0
743.27191	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02839	0.7
63.76990	0.7
70.07238	2.2
79.79040	0.7
82.42149	0.8
93.03477	3.3
105.03478	1.6
114.17201	0.7
121.03004	4.5
122.03766	17.0
123.04524	1.0
130.58943	0.7
132.02197	1.6
133.02977	9.7
134.03780	8.9
135.04559	9.2
136.01723	2.1
137.02480	1.8
148.05270	1.0
149.02469	18.4
149.06100	2.6
150.03252	100.0
151.03723	4.0
160.01715	4.9
161.02441	3.7
161.06117	1.3
163.03996	1.3
164.04843	3.9
165.05592	76.3
166.05943	2.5
175.04021	9.1
177.01912	0.9
178.02753	0.9
179.03549	4.7
179.07190	5.5
180.04353	5.4
181.05112	2.4
191.03606	0.8
193.05087	4.6
195.06648	31.4
207.06618	3.2
209.11789	0.9
240.04265	1.3
267.06500	0.8
297.07675	1.2
298.08511	1.4
311.09265	1.0
313.10904	2.5
325.14459	0.8
327.12573	0.9
343.11923	3.5
370.14258	1.4
373.12723	1.1
387.14587	2.8
398.13638	5.0
399.14322	1.9
402.08554	0.9
490.12689	0.9
505.15103	2.7
517.15375	2.5
519.16687	1.1
520.17487	2.3
532.17419	2.1
533.18439	3.1
534.18896	3.0
535.19812	32.8
536.19873	3.8
547.19745	26.7
548.20300	2.5
563.19574	1.7
565.21515	2.0
619.22021	1.7
713.25989	5.5
743.26544	5.5
761.27875	10.8
761.40265	0.9
762.28333	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	761.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53391	0.3
58.25333	0.3
59.01363	0.7
59.71677	0.3
60.99311	16.5
61.67738	0.3
61.98832	0.7
71.01387	0.5
72.99271	0.3
73.46722	0.2
82.95426	0.3
84.95123	1.0
85.00437	1.5
87.00890	0.9
88.00389	0.3
88.98815	100.0
89.02444	3.8
116.92906	0.3
125.02437	0.4
125.09658	0.3
132.34615	0.3
142.35803	0.3
158.69528	0.3
171.10301	0.5
200.52344	0.3
201.11292	2.0
207.10295	0.7
209.11797	1.5
223.13390	0.4
225.11317	0.3
253.09239	0.5
300.99902	0.6
341.23297	0.9
353.23541	0.3
388.81357	0.3
405.16953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46365	0.7
59.01384	8.7
61.98840	5.0
67.01900	1.2
69.03443	1.4
69.50735	3.8
71.01384	3.8
73.02943	1.1
79.01913	0.9
80.82438	0.8
85.02972	1.3
89.02443	3.3
95.01394	1.8
96.96006	1.7
97.61601	0.7
101.02473	1.6
107.01389	6.6
111.00904	1.1
113.02469	2.2
119.03531	1.2
123.00905	13.9
123.04539	1.1
124.01688	10.4
125.02458	21.8
126.02823	0.8
133.03094	0.9
136.98869	1.2
139.00380	2.2
140.01146	2.5
141.01956	2.5
151.00374	6.7
165.05624	0.9
168.00655	4.1
169.01433	22.0
171.10341	1.0
201.11530	0.8
209.11873	1.5
211.02466	7.4
256.12323	0.8
271.04572	4.1
285.99835	0.9
300.99841	1.9
445.91855	0.9
457.17261	1.2
761.37628	100.0
762.38184	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	761.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.1
61.98835	89.9
65.27228	4.1
69.27652	4.1
71.19351	4.4
75.26215	4.2
78.95921	10.1
86.69303	4.0
90.21057	4.0
98.22673	12.4
102.36096	4.4
107.77541	3.9
111.87148	3.8
116.92905	5.5
150.43353	4.6
197.11855	100.0
207.58073	4.1
235.08246	5.7
253.09290	12.9
255.23260	5.8
291.19699	98.4
293.21411	9.7
300.99915	5.4
328.49069	4.4
366.23206	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	761.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	15.1
61.98832	100.0
63.23027	8.9
69.45254	12.0
69.45589	40.0
74.52576	13.3
92.05029	13.1
96.93145	10.7
116.92869	22.6
119.33566	10.2
197.11873	46.0
253.09209	14.9
300.99786	13.8
309.20786	15.8
372.60275	10.4
391.03076	12.0
761.38501	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	761.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12973	13.8
58.97861	14.8
59.01380	30.1
59.26082	12.9
59.75844	15.8
61.98832	100.0
67.55064	13.3
85.00443	34.9
94.97231	20.3
94.98117	32.2
116.92824	21.8
147.09558	16.4
168.26720	18.1
169.01373	20.3
197.11862	46.3
214.11591	15.3
228.19437	14.6
231.04724	13.9
275.01981	14.8
293.53882	14.1
300.99915	27.5
309.20831	32.2
403.10278	15.4
728.67120	17.5
761.38678	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.78165	0.9
119.05054	1.6
145.02985	0.9
163.04091	0.5
170.96187	0.3
171.71062	0.2
175.03972	0.3
216.39856	0.3
243.74338	0.3
323.46255	0.3
324.08554	0.3
357.27789	0.3
383.04736	0.3
503.17682	0.6
543.88348	0.3
699.24567	2.4
700.24847	0.3
789.26868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30693	0.3
61.98834	100.0
64.82784	0.4
71.01388	0.6
79.95739	0.6
80.96517	2.8
94.98124	0.5
152.98708	0.5
180.85538	0.4
223.61523	0.4
225.00876	0.5
328.36038	0.3
382.12476	0.3
476.98792	0.5
753.40491	0.4
763.38904	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	762.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33661	0.1
61.98834	100.0
64.42006	0.1
70.75343	0.2
80.96525	0.2
90.17471	0.1
127.90716	0.1
140.17221	0.1
252.22240	0.1
339.33218	0.1
406.62018	0.1
474.56091	0.1
597.32184	0.1
763.39648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45572	0.1
55.86182	0.1
56.73074	0.1
57.22057	0.2
61.98835	100.0
80.96561	0.2
81.28732	0.1
81.71775	0.1
100.22160	0.1
189.46672	0.2
223.13383	0.2
286.47803	0.2
711.03760	0.2
763.40759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59543	3.1
69.59902	1.7
71.01383	3.1
73.63361	0.9
73.68748	1.0
77.08160	0.8
83.01365	1.5
85.02962	1.2
99.85053	0.9
99.95381	0.9
103.26244	0.9
107.01392	3.0
111.00940	0.9
111.63204	1.0
117.48497	1.0
123.00894	8.2
124.01682	3.7
125.02455	14.6
139.00403	1.2
141.01923	1.0
151.00389	7.4
168.00662	1.4
169.00011	1.2
169.01436	20.8
169.02805	1.9
169.37483	0.8
177.48578	0.9
193.01350	2.4
219.15135	1.2
247.27173	1.0
313.05542	3.6
354.91205	1.2
443.11987	100.0
444.12341	4.1
512.14746	1.9
630.51117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57307	2.4
61.98834	4.9
63.26315	2.3
69.16644	8.0
69.17049	9.2
70.25059	2.8
75.81701	2.4
88.00215	3.1
93.03466	7.0
94.31710	2.5
98.21839	5.1
108.02209	3.3
121.02958	10.3
122.03749	16.5
123.04521	3.0
125.02452	3.7
134.03740	2.8
135.04546	6.4
145.02908	3.9
146.03786	3.0
149.02449	25.7
149.06067	5.8
150.03242	100.0
151.03912	5.3
162.03186	4.2
163.04050	6.9
164.04825	9.1
165.05586	88.3
169.01453	4.5
175.04054	3.7
176.04832	5.2
177.05611	5.1
179.07144	8.1
180.04271	7.4
180.07901	3.5
188.04800	3.5
190.06343	3.9
191.03731	3.1
191.07195	4.8
192.04230	4.2
195.06615	38.4
207.06612	11.3
220.07423	4.4
223.09760	3.4
225.05461	3.0
237.05589	3.3
240.04323	12.3
241.04883	6.0
255.06645	12.2
256.07022	3.5
267.06561	15.1
269.69516	3.0
270.08908	8.7
271.09561	10.4
281.08289	3.0
282.08908	3.1
285.11179	4.0
295.06091	12.3
295.09210	3.6
297.07715	4.5
298.08496	12.6
298.75864	2.7
299.09030	3.2
300.99838	5.7
301.10770	6.8
302.10986	3.8
310.08417	8.7
311.09357	4.9
313.10941	18.9
316.84482	2.6
324.09805	3.7
325.10858	17.4
326.11493	12.4
328.09482	8.1
329.10205	8.8
340.09314	2.9
341.10150	12.6
343.11877	31.1
344.12704	18.8
355.11621	6.8
356.12640	6.8
357.13504	4.3
358.14172	6.4
359.15039	40.8
369.13419	6.3
371.15036	20.8
373.13000	15.1
507.20316	11.6
519.20300	23.0
535.19696	3.3
536.20258	3.0
537.21387	7.0
549.21118	10.6
655.25336	5.5
667.25226	7.6
685.26520	15.5
686.26556	3.3
697.26715	19.0
703.28430	3.5
715.27112	14.6
733.28876	21.6
745.28412	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	763.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91616	0.2
60.99310	17.3
67.30635	0.2
71.08701	0.2
87.00880	0.7
88.00399	0.2
88.98814	100.0
89.02445	2.5
89.99153	0.5
98.21901	0.6
105.80728	0.2
115.24700	0.2
115.27279	0.2
175.23871	0.2
209.11839	2.5
210.12270	0.2
227.12859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
59.23925	0.6
60.99314	17.6
61.98837	6.8
71.01389	1.5
71.43775	0.6
72.99323	1.9
75.56116	0.6
79.25848	0.6
85.00427	0.8
85.02913	0.6
87.00912	1.3
88.98814	100.0
89.02460	5.0
109.06649	0.8
125.02498	1.2
169.01462	0.8
171.10358	0.8
196.72914	0.6
207.10184	1.0
209.11874	4.1
211.13396	1.8
225.11278	0.8
246.94618	0.9
251.63260	0.7
268.58145	0.7
275.01819	0.8
337.84988	0.7
763.37573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.1
59.35398	5.2
60.99317	11.6
61.98833	53.1
71.01395	13.1
81.03458	5.4
85.02970	7.6
87.00874	17.2
88.98829	60.5
89.02475	10.8
96.96019	12.0
97.02946	6.8
98.22738	6.5
101.02426	12.3
107.25104	4.7
109.06596	19.9
110.25671	4.3
113.02507	7.3
118.94249	4.4
125.02512	9.4
163.11310	17.2
169.01440	14.5
171.10323	7.4
181.01273	4.8
193.86278	5.2
201.11394	8.0
207.10271	44.2
209.11844	100.0
211.13411	6.8
225.11360	21.7
227.12973	13.6
229.27061	6.3
235.08127	7.7
253.09369	5.3
397.13556	5.9
461.20114	11.7
467.06671	7.0
635.30750	12.3
653.31708	18.0
671.32971	24.1
763.17999	9.2
763.44409	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	763.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96265	2.4
64.57623	2.4
70.52197	4.8
71.01382	12.4
72.76525	2.2
74.82610	2.5
78.98592	8.3
79.95742	22.0
80.96526	96.1
85.02945	4.9
87.00876	3.4
90.27988	2.2
92.22108	2.5
94.25042	2.3
94.98088	19.1
101.96637	2.2
106.98123	4.4
122.97603	5.4
125.02470	3.6
134.97639	5.9
142.32425	2.7
148.99150	7.2
152.98685	7.2
164.98631	11.8
206.99655	4.0
225.00777	14.5
233.67778	2.6
246.27483	2.2
255.23254	3.0
281.18491	2.4
320.50363	2.5
670.19110	3.3
763.39453	100.0
764.39789	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	763.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75871	1.2
63.96242	1.5
64.68643	1.3
66.08039	1.0
70.91851	1.4
71.01393	6.2
73.02969	2.6
78.98583	5.9
79.95739	8.1
80.96521	57.3
85.02961	1.7
87.00885	2.5
94.98080	12.7
95.35693	1.1
96.96002	1.1
97.02977	2.2
101.02426	1.8
106.98106	1.6
115.37514	1.1
122.97545	1.9
134.97578	2.9
136.99135	2.0
148.99133	5.2
152.98615	5.1
155.04001	1.1
162.95387	1.2
164.98640	8.9
177.77606	1.3
205.42552	1.2
206.99670	2.3
207.10156	1.2
225.00752	16.1
237.13332	1.1
255.23315	1.6
271.26941	1.1
292.22543	1.3
427.37122	1.3
507.15680	2.1
654.42279	1.5
763.39478	100.0
764.40063	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	764.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89619	0.2
59.01392	0.4
60.99319	0.4
61.98836	100.0
64.54729	0.2
71.01378	0.3
82.50490	0.2
86.99781	0.2
88.98814	2.9
172.91093	0.2
172.92876	0.2
209.11923	0.5
241.68871	0.3
349.51846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.9
59.04387	0.6
59.12352	0.6
61.98822	3.4
70.83807	0.9
71.01372	4.3
73.02943	1.4
80.96529	1.1
81.03458	1.5
83.01437	0.7
83.05035	2.3
85.02975	1.8
88.98810	0.7
89.02458	2.8
97.02960	3.0
99.00905	0.9
101.02492	3.5
109.06600	26.1
110.03724	0.8
113.02441	2.2
119.07936	0.7
121.06593	1.0
135.08212	2.0
136.05382	0.9
161.04521	1.5
161.09712	0.9
163.11290	12.0
179.05661	1.7
181.12300	2.7
189.09256	4.7
207.10278	100.0
208.10605	3.7
209.11862	1.4
225.11333	32.7
226.11710	1.0
235.08228	2.9
235.73051	0.8
251.63202	0.9
253.09291	17.5
277.21750	81.1
278.22168	5.1
281.14059	0.7
299.15005	1.3
423.32562	1.4
441.33942	2.1
443.19312	8.1
461.20334	15.6
462.20285	1.0
467.31540	1.3
485.32559	1.2
703.40527	1.2
721.41748	42.1
722.41864	5.4
764.40295	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	764.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.5
61.98824	3.4
71.01381	3.3
80.74368	0.8
80.96528	2.9
81.03461	0.9
83.04990	1.4
85.02963	1.5
87.00878	1.5
89.02438	2.6
97.02956	3.1
101.02466	4.6
109.06609	15.4
110.03726	1.9
113.02465	2.6
119.03519	1.0
127.03117	0.7
135.08159	2.3
141.52544	0.8
145.05066	1.0
161.04584	1.3
161.09756	1.2
163.11282	9.0
181.12376	1.4
184.91003	0.9
189.09190	2.4
190.74304	0.8
207.10269	50.1
208.10712	1.4
209.11891	2.2
225.11336	15.8
235.08124	6.1
253.09261	11.7
277.21741	100.0
278.22104	4.8
336.86288	0.8
443.19196	3.7
461.20206	2.9
513.30695	1.1
703.40924	1.1
721.41791	24.9
722.42188	2.8
764.39862	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	764.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95626	0.1
61.98833	100.0
70.69879	0.2
71.01395	0.3
71.39526	0.1
78.98614	0.3
79.95751	0.4
80.96519	3.8
86.95856	0.1
94.98074	0.8
101.02468	0.2
106.98108	0.2
116.84053	0.1
125.02482	0.2
134.97568	0.2
136.99146	0.2
148.99167	0.3
152.98651	0.3
164.98627	0.9
167.00319	0.1
167.90215	0.1
172.14484	0.1
207.95207	0.1
225.00763	1.8
225.97153	0.1
241.44376	0.1
251.33955	0.1
255.23323	0.2
306.91895	0.1
470.70242	0.1
482.64569	0.1
509.17014	0.2
517.85199	0.1
534.24078	0.1
737.06482	0.2
765.41089	4.3
765.54407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24350	6.7
69.58054	16.9
80.93381	7.3
84.42865	8.0
107.01408	12.4
110.38959	8.5
125.02444	29.3
161.02399	8.1
169.01416	25.4
192.10985	8.7
192.71230	7.6
215.03633	8.4
217.01352	8.7
229.01279	14.8
245.00859	9.1
249.03902	8.4
258.01627	13.1
259.02286	10.6
269.04654	15.4
271.02390	9.5
272.03061	9.3
273.00409	22.5
274.01123	51.7
275.02069	55.8
285.04129	12.7
287.02008	34.3
288.02707	39.5
297.03979	15.4
299.01819	17.0
300.02615	10.1
300.99887	31.9
301.03464	29.9
313.03540	11.8
314.00681	37.8
315.01547	13.1
315.05136	29.4
327.01379	31.9
327.04901	10.1
329.03143	12.2
341.02951	20.8
345.05704	10.2
389.05252	7.9
390.93976	8.6
405.08252	10.0
421.07895	12.4
448.13120	8.8
449.07376	13.0
466.60370	7.8
479.08362	19.1
557.09113	51.1
573.08582	12.3
583.07263	34.7
601.08539	36.6
631.09534	31.0
721.12634	100.0
748.15967	9.7
765.10706	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	765.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
60.99311	17.7
61.98818	1.1
71.01380	0.6
78.69809	0.5
85.66380	0.4
87.00871	0.9
88.00446	1.1
88.98815	100.0
89.02451	12.6
96.72749	0.4
98.22606	1.4
142.00882	0.5
161.63661	0.5
207.10246	0.5
207.71378	0.4
225.11137	0.7
397.13577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97551	5.2
59.01383	9.1
60.20117	2.1
60.99303	2.7
61.98837	64.7
69.09857	13.9
71.01380	5.0
72.99313	3.2
75.00882	2.7
83.05037	5.4
84.02188	2.2
87.00897	3.1
88.83009	2.2
88.98803	20.8
89.02457	3.4
98.22665	3.0
101.02474	2.5
113.02436	3.8
125.02496	3.3
145.02921	3.1
158.95911	2.0
163.11325	3.1
165.12813	2.6
169.01456	3.1
209.11839	100.0
210.12196	5.3
227.12889	12.4
237.33055	2.2
253.09349	7.3
274.83298	2.2
275.02188	3.1
300.99942	3.6
332.82837	2.4
397.98694	2.2
445.20804	3.9
765.34741	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	766.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.79091	0.1
70.54969	0.2
75.13054	0.1
77.78323	0.1
86.35384	0.1
88.98804	0.3
113.28029	0.2
148.96065	0.1
197.61594	0.1
380.97888	0.1
733.19135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
61.98851	0.9
71.01385	2.8
71.04034	1.0
73.02954	0.8
74.50640	0.6
78.85498	0.7
83.05033	4.3
84.02185	0.7
85.02980	1.4
89.02460	2.5
95.05037	1.0
101.02447	2.9
113.02469	1.2
119.03568	0.8
121.45305	0.7
145.05121	0.8
161.04651	1.2
163.11322	1.3
165.12817	0.9
209.11852	77.1
210.12267	2.4
227.12910	12.1
228.13251	1.2
235.08241	5.5
253.09294	8.8
255.45549	0.7
264.91458	0.7
277.21756	100.0
278.22076	4.5
379.10910	0.8
445.21008	1.1
462.91852	0.9
473.37503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01376	2.9
61.98811	0.5
64.69369	0.4
71.01378	1.7
73.02956	0.7
73.24863	0.4
73.99510	0.4
80.02674	0.9
81.03479	0.8
83.05037	3.6
85.02962	0.9
89.02426	1.4
98.21871	1.1
101.02446	2.2
113.02441	1.2
119.03489	0.7
135.96124	0.6
161.04572	1.0
163.11290	3.0
165.12851	1.8
181.12340	0.6
191.10840	0.9
209.11841	100.0
210.12193	2.8
227.12892	12.0
235.08231	1.4
253.09277	6.6
277.21744	52.7
278.22031	2.6
283.85895	0.6
300.99844	0.9
388.90024	0.6
445.20563	1.6
448.48370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
59.56010	0.3
69.38627	1.7
72.99321	1.7
77.37724	0.4
87.00891	2.4
91.05532	2.5
93.03461	0.7
106.04232	0.8
107.01421	0.5
107.05039	10.6
108.02166	0.4
117.03479	0.5
121.02976	1.4
123.00898	0.9
124.01603	0.6
125.02472	2.3
131.04997	0.8
133.06618	5.9
135.04529	1.6
140.01115	0.5
149.02512	0.5
149.06096	19.6
150.03238	1.1
151.04004	0.8
153.21672	0.3
163.04025	1.1
165.05511	0.5
168.00684	0.7
169.01456	3.5
177.05586	17.4
178.05881	0.7
179.03519	26.1
180.03865	0.8
195.06564	2.0
202.24098	0.4
211.02580	0.4
221.04591	0.9
228.13181	0.4
239.05624	100.0
240.05927	2.9
300.99707	0.6
313.05637	1.4
357.89136	0.4
431.32214	0.4
458.70560	0.3
479.12125	2.5
527.14117	9.0
528.14441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08199	0.7
67.22225	0.6
67.26084	0.6
71.42210	0.6
71.72084	0.7
72.99303	3.0
74.34579	0.7
85.02985	1.1
87.00877	2.1
91.05538	2.5
106.04257	0.8
107.05035	8.3
108.02269	0.7
117.03444	0.9
121.02949	1.4
123.00919	1.3
125.02417	3.0
131.05057	1.4
133.06602	5.4
135.04517	1.1
149.02414	0.8
149.06096	19.3
150.03229	1.3
151.00377	0.9
163.04008	2.3
163.29352	0.6
165.05571	1.0
169.01407	5.4
177.05577	15.9
179.03520	26.4
195.06639	2.0
211.02426	1.6
221.04626	0.8
239.05618	100.0
240.05942	3.7
271.04575	2.2
278.00885	0.8
300.99924	1.0
313.05655	1.7
388.55276	0.7
429.10406	1.2
469.95331	0.8
479.11893	1.9
527.14185	10.2
585.32037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.0
59.01382	13.9
59.88729	1.9
61.98835	10.1
67.30859	2.0
69.03445	6.7
69.53892	3.7
69.54279	4.0
71.01389	6.4
71.05015	4.4
73.02934	3.7
81.03460	2.3
83.01388	3.5
85.02937	2.7
89.02456	4.0
97.06587	4.4
98.22577	3.1
101.02472	4.8
113.02470	3.2
123.08184	3.5
124.70454	2.2
125.09740	6.5
131.15207	2.1
137.09695	2.5
151.11295	5.7
153.12834	2.3
161.09760	5.1
163.11259	6.4
171.10266	7.9
179.10773	9.1
185.11852	4.3
191.14378	3.1
196.40024	2.0
197.11836	56.6
207.10281	4.6
209.11844	20.3
211.13315	3.2
221.11847	3.4
223.09845	4.0
223.13432	10.6
225.11353	6.8
227.12885	2.2
239.12859	2.3
241.10774	2.8
245.19075	4.3
253.09290	7.7
275.36206	2.1
289.18146	8.3
303.15964	2.3
307.19193	5.8
309.20776	3.6
325.20212	4.9
477.19891	2.6
669.31378	6.9
749.38745	3.6
767.38733	100.0
768.39264	17.9
790.55719	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	767.493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56624	0.2
59.01374	0.7
60.99312	16.7
63.89196	0.2
71.01370	0.4
71.42117	0.2
71.42491	0.2
73.64198	0.2
83.05058	0.3
87.00886	1.2
88.00403	0.8
88.01228	0.2
88.98814	100.0
89.02450	6.0
89.99146	0.4
138.81789	0.2
162.03230	0.8
163.03571	0.3
177.05589	0.3
178.05942	0.3
190.39767	0.2
195.06699	0.3
565.98315	0.2
677.50104	1.0
762.68591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67922	0.7
59.01363	1.9
61.98833	5.6
69.70527	1.7
112.12007	0.7
171.10280	7.3
176.10320	0.7
197.11824	3.6
197.32616	0.7
209.11850	0.8
253.09268	0.9
277.21747	8.6
278.22208	0.8
291.19797	1.3
293.21213	1.2
295.22797	45.9
296.23123	2.4
426.80658	0.7
447.05286	0.8
461.19995	0.8
471.34811	100.0
472.35156	11.2
627.51721	0.7
647.39050	0.8
667.45996	0.8
749.41309	1.2
767.42859	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	768.33
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98533	0.1
71.01400	0.4
78.95937	0.4
79.95738	0.9
82.95506	0.2
83.75751	0.1
94.98095	1.3
95.97649	0.2
96.96022	18.9
96.97016	0.5
97.03020	0.2
125.02455	0.2
132.93867	0.1
169.01485	0.3
171.10370	0.2
176.15399	0.1
184.22575	0.1
195.30078	0.1
207.10278	0.3
209.11905	0.6
225.11400	0.3
265.07660	0.5
265.31799	0.2
275.02237	0.3
301.00021	0.4
306.56168	0.2
376.02768	0.2
390.02191	0.2
390.52850	0.4
391.02982	0.2
499.14987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
73.55389	0.3
107.49526	0.4
111.73653	0.4
114.50093	0.4
128.30066	0.3
176.20952	0.3
176.68344	0.4
189.43149	0.3
217.39656	0.3
281.23242	0.4
282.08557	0.4
410.98517	0.3
519.50818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.2
61.98833	47.5
63.96227	2.7
64.37836	0.7
69.03460	1.3
70.50692	1.7
71.01382	9.4
73.02960	3.8
78.95882	1.3
78.98591	7.8
79.95737	17.5
80.96520	93.7
85.02951	2.5
87.00870	3.0
90.09380	0.8
94.97493	1.2
94.98092	20.4
96.95993	2.4
97.02946	2.8
97.47534	0.7
99.00874	1.1
101.02473	3.8
106.98097	4.0
112.08320	0.9
113.02416	0.8
116.92866	1.1
122.97566	4.9
125.02444	5.2
127.04005	1.2
134.97598	6.3
136.99120	1.9
148.99184	6.3
150.41614	0.7
152.98611	7.4
153.81773	0.8
161.04620	0.8
163.11154	1.0
164.97287	1.1
164.98633	15.6
188.04651	0.8
206.99667	4.1
209.11813	8.0
225.00755	28.6
283.04807	1.1
391.18509	0.9
509.16904	4.1
541.19531	2.0
591.27643	1.0
702.11481	0.8
769.33270	100.0
770.33600	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	769.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03452	1.8
59.01380	8.9
59.10501	0.6
61.98829	2.4
68.99553	0.9
69.03457	4.8
71.01385	7.7
71.05025	2.7
71.41609	0.7
73.02955	1.8
81.03475	0.6
83.01356	0.6
83.05042	1.7
85.02950	2.1
87.00888	1.5
89.02457	4.0
95.01370	1.0
95.05019	0.8
96.96015	0.9
97.02951	1.6
97.06571	1.6
101.02444	6.3
109.06619	1.1
111.04548	0.8
111.08167	5.2
112.98589	0.7
113.02454	3.0
119.03521	1.0
123.08157	1.1
125.02438	1.2
125.09760	3.4
137.09723	0.6
149.09816	0.6
151.11320	3.1
153.12846	2.2
161.04579	1.7
161.09726	3.5
163.11333	1.3
169.12381	3.1
171.10268	7.8
179.10803	7.2
181.12404	0.9
183.13921	0.7
195.10287	0.8
197.11844	93.9
198.12302	3.3
199.13371	1.5
201.11320	1.1
205.08693	1.0
207.10231	3.3
209.11856	12.7
211.13319	2.9
213.11211	0.7
223.09735	2.3
223.13385	0.7
225.11324	4.1
227.12859	2.2
235.08244	1.3
241.10803	4.1
247.13257	0.8
253.09360	5.8
263.20148	0.6
275.02060	0.9
289.18185	2.2
291.19733	4.2
300.99887	2.1
305.17569	2.1
307.19080	2.7
309.20633	5.6
323.22372	0.9
327.21652	1.0
459.18781	1.7
477.19614	2.6
671.32855	0.8
751.39581	1.3
769.40198	100.0
770.40509	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	769.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01385	8.7
60.99288	1.1
61.98828	2.8
69.03464	5.4
70.75449	0.9
71.01384	6.1
71.05017	3.0
72.99283	0.9
73.02945	1.8
80.55106	1.0
80.81509	0.8
81.25313	0.8
83.01388	1.0
83.05062	1.7
85.02940	2.3
87.00847	0.9
88.98817	9.6
89.02449	3.7
93.65725	0.7
95.05045	1.0
96.96019	1.1
97.02984	1.5
97.06602	1.3
101.02448	4.7
107.43850	0.8
109.06596	1.1
111.04517	1.4
111.08137	4.7
113.02445	3.3
123.08160	1.6
125.02452	1.5
125.09730	4.1
135.08163	0.8
139.88911	0.8
151.07663	1.3
151.11270	3.6
153.12816	1.9
161.04530	2.1
161.09761	4.1
161.10910	0.8
163.11276	1.0
169.12372	3.7
171.10237	6.5
176.80420	0.8
179.10768	9.5
183.13916	1.1
185.11765	0.9
191.20914	0.7
197.11836	88.8
198.12134	3.0
199.13324	0.9
200.05161	0.7
201.11394	1.1
203.31844	0.7
207.10255	2.1
208.64565	1.1
209.11847	13.9
211.13377	2.8
223.09729	2.7
223.13286	1.4
225.11325	3.7
227.12871	3.1
235.08241	1.1
241.10794	3.3
253.09245	5.8
275.02069	1.2
289.18188	1.7
291.19568	3.9
300.99817	1.7
305.17572	2.6
307.19119	1.1
309.20737	6.1
327.21701	1.0
390.52661	0.9
403.32556	0.9
408.63943	0.8
454.16696	1.1
459.18790	1.6
461.20282	1.5
477.19565	1.4
733.37964	1.2
751.39258	2.1
769.40186	100.0
770.40387	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	769.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01382	9.4
61.98824	6.2
65.03935	0.8
69.03454	2.0
69.87196	1.4
71.01381	7.7
73.02941	2.1
74.11821	0.6
80.02681	2.1
80.91700	0.8
81.03458	1.9
82.95390	0.8
83.01374	1.3
83.05038	6.2
84.84251	0.8
85.02952	2.5
87.00892	1.6
89.02464	3.5
93.03459	1.2
95.05037	2.2
96.96007	1.4
97.02959	2.8
97.06573	2.8
98.21776	0.8
99.00916	0.9
101.02463	5.6
106.60065	0.7
107.04990	1.7
109.06601	6.7
110.03730	1.2
111.04530	1.2
111.08145	1.1
113.02448	2.3
117.07117	0.8
119.03497	1.7
119.08652	1.1
121.06591	1.4
123.06460	0.7
123.08127	1.8
125.02429	2.5
125.06074	1.2
125.09729	4.8
133.06613	1.3
135.08136	4.5
143.03481	0.8
145.05031	0.9
151.07664	1.8
153.09218	1.9
161.04544	1.6
161.09738	1.4
163.11319	8.6
165.12891	3.1
169.01363	1.4
169.12341	1.1
171.10281	18.3
178.09891	0.9
181.12378	2.3
185.11839	2.2
187.09888	0.9
189.09305	0.7
191.10849	1.5
197.11821	12.6
198.11987	0.9
201.11363	3.2
205.08774	0.9
207.10274	16.0
209.11841	100.0
210.12158	2.4
211.13499	1.5
217.12350	0.9
223.09735	1.6
223.13391	2.0
225.11307	12.3
227.12917	11.0
235.08354	5.1
235.13492	1.1
237.14957	1.2
251.12967	1.0
253.09285	11.1
253.14365	3.5
261.18527	1.8
275.01944	1.7
277.18213	2.4
287.16577	6.0
289.18057	3.4
291.19620	1.4
295.19073	2.5
295.76035	0.9
300.99820	1.4
305.17581	23.6
306.17987	1.3
307.19254	3.7
309.20679	2.6
323.18658	6.5
325.20242	4.6
341.23422	1.6
445.20953	1.6
461.20309	3.7
523.25549	0.9
536.86676	0.9
541.26385	6.1
671.33582	1.7
682.33252	1.3
733.38324	4.3
751.39294	9.8
769.40192	13.7
770.40741	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.3
59.01374	9.9
61.98835	56.0
69.03458	0.8
69.39461	3.6
70.94778	0.9
71.01395	7.8
73.02917	1.7
73.57298	0.9
78.91899	2.0
79.95774	1.4
80.02661	1.4
80.91682	3.4
80.96529	2.6
81.03465	2.4
82.95420	3.9
83.05027	6.2
84.02190	1.4
85.02940	1.2
87.00890	1.5
89.02445	3.4
94.98096	1.3
95.05038	2.2
96.96014	15.4
96.96967	1.3
97.02969	2.2
97.06596	2.4
99.00904	1.1
101.02453	5.9
109.06602	5.9
113.02459	3.0
123.00863	1.0
123.08167	1.0
125.02435	2.2
125.09720	2.4
135.08177	3.1
159.08145	2.4
161.04521	1.9
161.09648	1.5
163.11317	9.5
165.12822	3.0
169.01419	2.3
171.10251	6.5
181.12326	1.8
185.11833	2.0
191.10759	1.9
197.11757	0.9
207.10248	13.4
209.11841	100.0
210.12070	4.0
217.16025	2.3
223.13200	0.9
225.11330	6.8
227.12878	17.2
229.14606	1.1
235.08244	3.9
243.17545	1.9
253.09283	13.4
265.07565	1.7
265.14471	1.3
269.15570	1.7
275.02005	2.3
275.16418	1.9
277.18063	4.2
279.16110	1.8
287.16556	29.4
288.16821	1.1
289.18094	1.2
300.99979	3.6
305.17603	37.2
306.17853	1.6
307.19159	1.3
323.18542	1.3
376.02695	1.1
390.52615	1.8
391.53333	1.2
417.22833	1.4
445.20627	1.5
461.20410	2.1
481.06793	1.0
483.17407	1.0
485.72638	1.0
523.25806	1.3
541.26508	3.5
635.30878	3.0
653.31439	2.1
671.32843	3.6
707.36890	1.0
733.38165	2.3
751.39191	5.8
769.38275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.1
59.01386	27.2
61.98826	4.4
64.94492	1.5
65.04003	1.4
68.99828	10.6
69.03456	7.2
71.01387	71.6
71.05048	1.5
72.99313	5.1
73.02947	4.3
79.14124	1.7
80.02686	3.3
81.03445	2.9
83.01385	6.0
83.05034	11.3
84.02179	1.6
84.05384	1.5
85.02945	6.5
87.00874	6.9
89.02454	10.6
95.01405	4.1
95.05049	4.4
97.02965	13.9
97.06587	7.3
98.22649	3.2
99.00898	2.7
101.02449	11.9
103.01488	3.7
106.04276	2.5
107.05058	2.6
109.06594	4.9
110.03726	9.2
111.00868	2.2
111.04537	24.0
111.08176	3.8
113.02451	6.2
119.03526	2.9
119.08684	1.7
121.02973	1.8
122.03761	1.7
123.04534	4.0
123.08143	5.6
125.02393	2.0
125.06135	1.9
125.09760	14.0
127.11312	2.7
135.08167	5.2
137.09724	5.5
139.07561	2.1
145.05106	2.4
149.09660	3.0
151.11278	7.3
153.09239	5.2
155.10797	9.5
161.04526	4.9
161.09732	13.6
163.11243	12.1
165.09184	2.0
165.12848	8.0
169.12350	5.0
171.10280	100.0
172.10606	1.5
173.36334	1.5
175.11362	2.1
177.09227	7.6
179.05605	2.5
179.10794	21.7
181.12335	5.5
183.10275	3.3
185.11836	8.7
187.09692	3.2
191.10863	1.7
191.14435	2.2
193.12386	1.8
195.10242	2.9
197.11836	19.2
198.12215	2.2
199.09746	4.4
199.13414	2.0
201.11290	8.7
205.08719	24.1
207.10268	12.9
209.11847	79.8
210.12173	2.9
211.13306	5.1
213.11304	15.1
215.12939	1.7
223.09773	82.1
223.13223	3.2
224.10062	2.4
225.11334	17.7
227.12894	13.7
235.08159	11.7
241.10820	7.7
245.18941	3.0
247.20647	3.9
253.09270	32.9
263.19925	2.4
287.16400	3.4
289.18170	12.7
291.19693	43.3
300.99991	2.4
305.17505	5.6
307.19119	9.6
309.20724	72.1
310.21155	2.5
323.18643	6.0
323.22281	2.7
407.19321	3.6
419.18997	3.4
441.17801	4.0
445.20236	2.0
459.18747	15.2
461.20422	4.5
477.19513	2.5
527.28754	1.9
545.30426	2.0
725.37701	2.6
733.37891	2.8
751.39203	25.4
754.25000	2.2
769.40326	37.9
770.40509	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	769.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58689	0.6
57.03466	1.4
59.01385	6.4
61.98835	2.0
69.25496	4.0
70.64034	0.6
71.01388	6.3
71.05022	0.7
73.02960	0.7
73.50191	0.7
80.02694	0.9
81.03458	1.3
83.05029	5.1
85.02953	2.2
87.00885	0.8
89.02454	2.8
95.05037	1.4
97.06580	1.4
99.00841	1.0
101.02445	3.5
101.67850	0.6
109.06581	1.5
111.04491	1.0
111.08183	5.6
113.02499	1.6
116.92953	0.6
119.03544	0.7
125.02485	0.8
125.06135	0.7
135.08179	0.8
137.09752	1.1
154.29634	0.6
161.04619	1.2
161.09732	0.9
163.11302	4.4
165.12877	2.9
167.10799	1.5
169.85135	0.7
171.10301	7.7
177.12871	1.3
179.05592	0.8
179.10785	1.5
181.12357	1.6
185.11787	0.8
191.10757	1.6
195.13933	3.2
195.69951	0.6
197.11865	2.4
207.10217	1.6
209.11845	100.0
210.12163	4.1
211.13338	0.8
217.61400	0.7
223.09814	2.3
225.11372	3.6
227.12930	14.1
235.08255	3.7
247.20718	1.3
249.63690	0.6
253.09291	12.2
273.18594	1.1
291.19687	67.7
292.19992	4.2
301.00082	0.8
309.20712	2.5
323.22263	8.3
330.31961	0.7
341.23398	1.2
410.96652	0.7
445.20944	1.0
461.20557	0.9
509.27655	1.1
527.28564	4.4
656.06500	0.8
719.39362	0.9
769.40204	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.8
59.01385	13.7
61.98841	8.9
69.03456	4.5
69.42402	4.3
71.01391	13.5
71.05027	1.7
73.02962	3.1
74.79549	0.9
80.02704	1.3
81.03482	1.4
83.01421	2.2
83.05039	2.8
84.02232	0.8
84.51151	0.8
85.02947	7.1
87.00885	3.3
89.02463	8.0
93.03469	1.1
95.05045	1.9
97.02948	1.6
97.06583	5.4
98.22676	1.2
99.00876	1.0
101.02455	9.4
106.38667	0.9
107.05045	0.9
109.06579	4.3
110.03747	0.9
111.04565	1.8
111.08183	1.9
113.02455	6.2
119.03542	1.9
123.08163	1.0
125.02480	2.0
125.09753	3.5
127.11314	2.2
135.08200	1.8
137.09778	3.0
139.11365	0.9
145.05080	1.4
149.09714	1.5
149.66444	0.9
151.11316	1.3
155.10826	1.2
161.02449	1.2
161.04535	6.4
161.09760	1.0
163.11308	3.9
165.12904	2.3
167.10808	4.8
169.01485	1.9
169.12364	2.3
171.10284	29.3
172.10651	1.3
177.09360	0.9
177.12894	2.4
179.10803	3.0
179.14424	4.1
181.12399	1.7
183.13957	4.5
185.11832	2.6
187.09767	0.8
191.10841	1.1
193.12367	1.8
195.10165	2.1
195.13924	14.1
197.11850	11.1
199.13441	1.1
201.11385	2.3
205.08809	1.4
205.12387	11.4
207.10294	6.1
209.11853	30.2
210.12186	2.5
211.13400	16.2
221.11882	3.3
223.09807	4.7
223.13402	100.0
224.13757	3.7
225.11345	7.7
227.12807	5.0
229.14441	11.3
235.08252	18.2
239.12894	2.3
245.00937	1.0
245.18935	1.3
247.13226	1.4
253.09297	32.0
254.09679	1.3
261.18619	1.0
263.20148	1.0
265.14377	1.1
275.01901	2.2
287.16644	1.9
289.18234	5.5
291.19595	7.8
300.99911	5.2
302.00024	1.0
305.17648	6.4
307.19028	4.2
309.20715	16.5
310.21054	1.9
323.18738	1.1
325.20187	1.3
327.21783	94.6
328.22205	5.5
366.55588	1.1
376.52512	1.4
390.01910	1.1
390.52844	1.3
391.02756	1.6
459.22604	14.5
461.20367	1.5
533.34943	2.8
545.29559	2.2
563.30859	5.7
688.70050	1.1
733.37976	1.0
751.39191	2.2
769.40253	14.8
770.41211	2.2
803.29388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1997
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01389	7.1
65.00333	1.8
69.92622	2.3
70.03354	0.7
71.01388	2.4
83.01379	1.2
89.02428	0.9
95.24229	0.8
107.01380	2.9
108.02161	1.8
125.02450	1.5
148.01704	1.5
151.00354	8.8
153.09174	1.1
161.04582	1.6
163.00385	1.6
164.01172	1.0
169.01425	1.5
177.01935	4.9
178.99857	5.9
199.03954	1.2
226.02730	2.0
227.03500	2.4
243.02953	10.9
249.91026	0.8
254.02342	1.8
255.00774	0.6
255.02989	29.0
271.02493	57.9
272.02936	3.7
299.01947	4.2
300.02780	100.0
301.00006	2.2
301.03384	11.8
302.00244	0.9
491.08279	3.1
545.30817	0.9
591.13257	1.1
771.19910	58.3
772.20477	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.6
71.01388	2.2
73.06750	1.1
83.01392	2.2
85.02924	2.7
94.52196	1.3
95.01384	1.7
101.02433	2.1
107.01350	3.0
109.02972	1.9
111.00879	2.5
113.02435	1.7
119.05059	1.6
119.10670	1.3
121.02946	1.8
123.00851	2.0
124.01675	2.6
125.02453	3.9
131.11049	1.2
139.00343	2.1
145.01367	1.2
151.00389	9.3
153.09274	1.2
161.02376	1.7
163.00366	2.5
163.02507	2.5
163.04024	2.3
169.01450	4.1
177.01929	11.6
178.99863	7.2
203.03526	1.7
217.01427	1.2
226.02814	1.9
227.03464	2.1
229.01434	1.6
243.03018	13.0
247.02470	1.9
254.02251	2.8
255.02995	30.7
261.00504	1.6
271.02499	68.4
272.02902	3.4
273.00552	1.6
275.02051	3.9
299.01855	3.7
300.02777	100.0
300.99844	8.4
301.03430	11.7
466.03342	1.7
467.03088	1.6
491.08121	5.8
524.91516	1.4
536.00946	1.5
553.86664	1.5
685.97003	1.5
771.19916	60.7
772.20294	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	771.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03457	0.5
59.01383	100.0
60.01725	0.5
69.28994	0.6
69.29391	0.9
71.01388	9.3
72.99317	0.2
73.02953	4.0
75.11962	0.2
83.01389	1.4
85.02960	4.2
89.02457	3.3
95.01408	0.8
97.02996	0.3
99.00893	1.9
101.02451	7.8
107.05046	0.3
113.02464	4.0
125.02430	0.5
131.03529	0.3
143.03517	0.6
149.04568	2.5
159.03027	0.9
161.04573	4.7
191.05605	0.4
197.43840	0.3
206.27779	0.3
220.55159	0.3
222.01431	0.3
251.07715	0.4
269.10327	11.0
311.11392	7.0
399.11966	0.2
415.16101	2.6
458.59937	0.3
516.44788	0.3
694.56702	0.3
780.37897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
59.14546	0.1
61.98832	0.7
65.31531	0.1
69.14156	0.6
71.01386	0.2
78.95913	2.7
79.95746	3.7
80.96545	0.1
82.95419	0.5
83.05046	0.1
85.16470	0.1
94.98117	0.6
95.97620	0.2
96.00940	0.2
96.96023	100.0
96.96903	3.4
101.02420	0.1
113.02510	0.1
118.96638	0.1
121.32605	0.1
125.02473	0.1
163.11403	0.1
169.01553	0.2
171.10281	0.2
175.88167	0.1
189.00854	0.2
205.12357	0.1
207.10260	0.2
209.11845	2.3
227.12862	0.3
235.06494	0.3
236.06677	0.1
237.08061	0.2
265.07587	3.4
281.07056	0.3
291.03983	0.7
307.08612	0.6
321.10126	0.1
351.05896	0.2
439.17941	0.1
457.19196	0.7
475.20175	0.4
483.15527	1.6
484.16135	0.1
771.33539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66930	9.8
59.01393	15.8
61.98832	100.0
70.90095	10.9
70.90457	17.8
71.01356	25.3
78.95928	11.6
88.98813	21.9
96.96018	14.7
97.02962	13.5
109.06610	17.1
163.11288	17.6
207.10274	71.3
209.11798	22.0
225.11333	47.4
235.08237	15.2
253.09262	20.5
291.19653	99.4
293.21194	33.5
327.21613	12.0
461.20206	20.0
481.29129	12.5
586.16516	11.7
717.38715	71.7
735.39642	67.0
771.45288	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	771.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.6
57.03432	1.7
59.01387	17.6
69.03455	2.7
71.01388	39.2
72.99307	1.4
73.02958	8.3
80.02683	2.2
81.03470	3.7
83.01394	2.3
83.05043	6.2
84.02177	2.1
85.02952	5.8
87.00883	5.7
89.02451	8.3
95.01414	1.7
95.05058	2.7
97.02946	11.8
97.06557	2.4
99.00896	2.4
101.02453	9.8
109.06632	9.2
110.03711	1.9
110.95553	1.4
111.00890	2.1
111.08161	3.9
113.02481	6.7
123.08171	2.1
125.06100	2.4
125.09741	7.5
127.11265	4.3
131.74461	1.3
135.08159	3.4
137.09727	5.0
139.07674	2.1
143.03539	3.1
151.11342	2.0
155.10760	3.9
161.04550	5.5
161.09709	1.9
163.11285	15.5
165.09238	2.2
165.12822	7.8
167.10728	2.1
169.12346	2.0
171.10283	100.0
172.10634	3.3
179.05681	1.7
179.10770	2.3
181.12431	8.2
185.11839	7.1
189.09280	2.5
191.14302	1.9
197.11855	17.3
201.11331	49.6
207.10284	34.2
209.11850	66.4
210.12167	3.8
211.13469	7.6
215.12921	3.8
225.11348	63.3
226.11690	2.9
227.12973	9.3
235.08238	10.1
243.12459	3.6
245.19110	3.2
247.20743	4.1
253.09311	28.6
273.18356	2.5
289.18088	12.1
291.19662	43.8
292.20148	3.1
295.10120	3.0
307.19226	8.3
309.20737	89.3
310.21146	5.6
443.19223	3.7
461.20438	11.6
545.29370	1.8
633.20392	1.5
660.08728	1.7
753.40808	5.4
771.41199	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	771.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
59.01381	18.6
61.28255	1.4
69.03466	3.6
71.01385	65.7
73.02959	7.6
74.80133	1.7
80.02662	2.5
81.03471	4.0
83.01380	2.6
83.05028	6.5
85.02962	7.3
87.00879	7.0
89.02453	10.6
95.05045	2.8
96.96004	2.5
97.02947	6.5
97.06593	5.7
99.00902	4.4
101.02468	10.8
101.52419	1.7
109.06611	13.7
111.08165	7.1
113.02488	8.8
113.03164	1.6
116.83584	1.8
119.03561	3.0
125.09723	5.9
127.11279	5.8
129.60988	2.0
135.08211	2.0
137.09671	1.8
139.07674	3.6
145.10274	1.8
149.06172	1.9
149.09645	1.8
150.71059	2.1
151.11284	2.2
155.10818	2.8
161.04581	6.7
163.11282	16.6
165.09171	3.9
165.12802	4.9
167.10818	2.2
169.12308	6.4
171.10280	100.0
172.10654	2.9
178.69136	1.6
179.05562	1.9
179.10776	2.2
181.12329	6.8
183.10323	2.7
185.11829	5.8
189.09227	2.9
193.12335	2.1
197.11847	49.0
199.13376	3.5
201.09491	3.7
201.11345	54.2
202.11714	2.3
207.10291	40.9
209.11830	71.0
210.12155	2.3
211.13406	14.0
215.12924	7.5
225.11331	72.4
226.11861	4.0
227.12852	11.4
229.83037	1.9
235.08188	11.0
243.12439	4.2
253.09286	40.9
263.20096	4.0
273.18701	1.8
289.18207	8.8
291.19693	37.5
292.20041	2.7
293.21213	6.4
295.10260	4.9
307.19095	5.5
309.20731	90.5
310.21091	6.5
341.23785	2.0
426.66046	1.9
442.35938	1.8
443.19354	5.2
461.20493	16.2
479.21823	3.8
499.30643	2.1
717.38812	4.1
753.40875	6.6
771.41504	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	771.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01385	4.7
60.82667	0.4
61.98835	0.9
69.24416	1.7
71.01380	4.2
71.05000	0.7
73.02954	1.0
79.41263	0.3
80.02682	1.4
81.03459	1.6
82.95413	0.4
83.01379	0.8
83.05030	5.2
84.02167	1.1
85.02947	1.2
87.00876	0.8
89.02447	2.8
91.81794	0.3
95.01407	0.4
95.05027	1.1
96.96026	0.5
97.02986	0.5
97.06586	0.7
99.04533	0.7
99.72288	0.3
101.02460	3.4
108.02220	0.4
109.06607	1.1
110.03737	0.6
113.02494	1.8
115.07660	0.6
119.03522	0.7
122.03800	0.4
125.06100	1.0
125.09745	2.7
127.07670	1.6
135.08182	1.4
136.68634	0.3
137.09709	0.4
139.07677	0.3
141.09238	0.5
145.05109	0.6
153.09216	8.0
155.10835	0.5
156.56987	0.4
161.04558	1.1
163.11305	4.8
165.12869	2.8
171.10283	15.5
178.09999	1.2
181.12419	1.0
185.11885	3.5
191.10835	2.2
191.14433	0.8
193.12338	0.6
197.11861	3.2
207.10251	1.2
209.11841	100.0
210.12161	3.6
211.13440	0.6
221.11693	0.6
223.13467	0.4
225.11340	0.9
227.12897	12.4
228.13199	0.8
229.14507	0.4
235.08249	3.0
237.11639	0.4
238.12010	0.9
239.12808	0.6
245.19113	1.3
253.09271	9.2
289.18094	6.2
289.45602	0.4
290.18335	0.5
297.20776	0.7
307.19171	32.7
308.19595	1.8
325.20200	11.9
326.20639	0.8
327.22220	0.7
335.22232	0.9
345.20618	1.1
363.21887	0.8
397.36145	0.4
445.20868	1.4
499.30911	0.4
525.27100	1.7
543.28223	7.0
544.28711	0.4
561.29474	1.7
581.29474	0.5
599.30927	0.5
684.33606	1.1
709.38770	0.4
735.39771	3.2
736.40063	0.6
753.40784	5.2
771.41821	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	771.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64566	0.5
57.03457	1.5
59.01379	9.7
61.98828	3.2
63.93197	0.7
69.03449	1.3
69.12791	2.8
69.13194	1.6
71.01385	5.9
71.05030	0.8
72.99336	0.7
73.02932	1.9
74.23838	0.6
75.70998	0.6
80.02673	2.1
81.03441	2.3
82.95408	1.4
83.01373	0.8
83.05032	6.7
84.02188	0.8
85.02956	2.8
87.00883	1.2
89.02472	3.1
94.30055	0.7
95.01414	1.1
95.05042	1.1
96.96014	1.9
97.02952	2.8
97.06589	1.9
99.04539	0.6
101.02455	5.8
109.06591	10.5
109.66711	0.6
110.03736	1.2
113.02460	2.1
119.03530	0.9
125.06073	0.9
125.09734	2.1
127.07678	1.3
135.08142	2.2
143.03464	0.8
151.11272	0.7
151.81459	0.6
153.09238	4.2
155.10768	0.8
161.04568	1.9
163.11275	8.6
165.12814	1.9
169.12325	1.1
171.10283	13.9
181.12350	2.3
185.11813	1.6
191.10814	1.2
197.11833	8.8
199.13387	1.1
201.11377	1.4
207.10272	20.8
208.10614	0.8
209.11839	100.0
210.12138	5.3
211.13400	7.4
221.11790	0.9
225.11368	10.0
225.20956	0.7
227.12880	13.5
229.14369	2.0
235.08220	6.1
235.13443	1.4
237.15001	2.7
239.12904	1.2
245.19070	0.9
253.09294	17.0
254.09532	0.7
289.18103	6.2
291.19574	1.0
307.19159	17.0
308.19482	0.9
309.20624	2.6
325.20200	26.5
326.20557	0.8
327.21793	19.6
328.22134	1.2
445.20941	0.8
461.20151	2.3
517.31360	1.1
543.28265	5.1
561.29053	1.5
563.30487	1.2
735.39709	1.5
753.40710	2.8
754.41473	0.9
771.41888	8.7
772.41815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
70.42123	0.2
71.01386	0.2
78.95924	0.3
85.75813	0.2
98.22692	0.4
112.48683	0.2
116.92859	0.3
146.22182	0.2
169.01607	0.2
171.10301	0.2
207.10347	0.3
209.11914	0.2
211.11234	0.2
217.70309	0.2
291.19714	0.3
293.21225	0.2
365.27209	0.3
467.45358	0.2
551.63934	0.2
684.25604	0.2
772.45001	0.4
783.59924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17508	1.2
95.01333	1.6
107.01409	4.9
123.00915	8.3
124.01672	12.6
125.02472	32.5
131.63713	1.2
136.33395	1.0
139.04027	17.2
141.01918	1.8
151.00435	5.6
151.42754	1.2
152.85771	1.2
168.00682	2.0
169.01453	36.8
177.40955	1.2
184.95544	1.2
193.01414	4.2
211.02454	1.3
300.02777	2.1
301.00027	1.5
301.03406	1.4
313.05655	13.6
325.61584	1.4
453.10419	100.0
454.10776	3.9
638.66498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17106	0.3
57.39694	0.3
59.01383	2.8
68.75620	0.3
71.01389	13.1
72.99314	2.5
85.02955	0.4
87.00873	0.9
89.02443	2.1
93.03510	0.4
95.01418	0.4
97.02983	0.4
101.02472	0.5
107.01398	2.0
111.00865	0.3
113.02452	0.4
115.00385	32.1
119.05039	26.0
120.05344	0.8
123.00888	3.3
124.01691	1.4
125.02461	9.5
126.26212	0.3
133.01445	100.0
134.01819	1.1
135.04538	0.4
140.01201	0.6
141.01955	0.3
146.03735	3.3
151.00395	1.8
161.06055	0.7
163.04024	27.3
164.04750	1.8
165.05629	0.4
168.00679	0.7
169.01442	17.0
179.07214	1.6
183.02956	0.4
211.02509	0.4
236.29083	0.3
241.03615	0.4
279.05185	5.0
300.99838	0.8
310.28015	0.3
313.05661	6.9
355.18365	0.3
472.56952	0.4
478.48431	0.4
478.92941	0.4
493.13577	37.9
494.13910	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	773.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46941	0.9
59.01385	8.5
69.03442	1.8
69.94646	0.9
71.01393	2.6
73.02962	2.3
83.01402	1.1
83.05010	1.1
85.02980	1.4
87.00359	1.2
87.00884	19.5
89.02466	2.0
91.36821	0.7
94.02428	0.8
95.01403	1.1
96.71788	0.8
97.06606	3.0
98.22710	1.7
101.02435	3.1
109.02998	0.8
112.32178	0.8
113.02480	1.4
119.03530	1.4
119.24348	0.9
120.20386	0.8
121.02960	2.1
123.04549	1.6
124.01665	1.0
125.02454	2.1
130.99915	4.8
143.03476	0.9
145.01422	1.3
146.03766	4.4
147.04521	3.4
163.06143	2.2
163.07613	1.2
169.01440	2.9
172.05316	2.4
174.03276	1.7
175.03880	1.2
175.07658	12.2
186.06897	1.7
187.07684	3.8
188.04822	1.4
189.05638	1.8
190.06386	2.2
200.04863	5.4
201.09224	6.0
203.07138	4.7
204.07892	2.9
205.07184	1.5
215.07225	1.0
217.08801	4.4
219.10208	8.6
227.10715	3.1
228.07986	1.5
229.08702	21.3
245.08218	3.2
245.11815	1.4
247.09912	1.1
261.11331	1.0
271.09698	1.3
273.07751	11.2
275.02087	1.0
289.10632	2.0
300.99899	2.6
332.00739	0.8
333.09909	6.0
351.10876	100.0
352.11288	3.8
377.86871	0.8
391.53452	1.0
421.11618	1.0
439.55722	2.4
440.05746	1.4
627.36658	0.9
773.43408	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	773.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96519	0.7
57.03444	2.1
57.45680	0.8
59.01379	13.6
67.01901	1.1
68.99825	1.7
69.14649	4.1
70.84854	0.7
71.01392	13.9
72.99308	2.6
75.00879	11.2
85.02951	15.4
87.00892	5.1
89.02459	2.8
91.05545	21.3
91.06130	1.0
95.01401	4.4
96.54407	0.7
99.00901	6.7
103.00380	1.3
103.18009	0.9
109.02940	0.8
113.02461	21.5
115.00385	1.2
117.01964	1.8
117.03497	1.6
129.01961	1.9
135.04538	4.5
175.02582	1.0
183.01064	0.8
207.05063	0.9
231.05154	2.2
249.06203	18.9
267.07233	60.7
268.07419	1.2
269.07922	0.8
321.15213	0.9
322.91705	0.8
380.98016	0.8
385.11426	100.0
386.11679	3.3
392.81360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.1
59.01388	28.5
59.24413	2.1
60.52452	1.9
60.74974	2.2
61.04701	2.0
61.98833	19.8
63.99263	3.9
65.08431	1.8
69.03476	2.7
69.79362	1.8
71.01392	22.0
72.99309	2.3
73.02946	4.2
77.14455	2.0
79.42218	2.1
81.03461	5.9
82.03828	2.2
82.95417	12.8
83.05030	6.9
84.95114	2.1
85.00440	3.3
85.02953	5.2
87.00874	3.5
89.02460	8.5
93.03487	4.2
95.01385	4.0
95.05033	5.9
96.96023	20.8
97.02957	24.6
97.06607	4.8
98.95602	6.2
98.96436	1.8
99.00893	4.1
101.02439	11.8
107.05037	1.9
107.35090	2.3
109.06606	23.3
110.03803	3.2
113.02455	4.1
116.92867	7.4
118.95890	1.9
123.08177	5.8
124.01687	2.4
125.02472	5.5
125.09750	6.4
135.04546	2.9
135.08127	5.6
141.01945	5.7
161.04567	5.6
161.09795	3.2
163.11255	13.2
169.01413	8.9
171.10292	5.6
177.12877	4.4
179.14455	3.2
181.12340	6.4
185.11850	6.5
197.11940	3.1
199.13458	2.3
205.12390	6.8
207.10275	44.3
209.11838	46.9
211.13353	4.1
223.13394	100.0
225.11310	30.9
227.12891	18.0
229.54953	2.2
235.08234	6.0
239.12994	2.5
249.11353	7.2
253.09341	16.0
265.07581	2.5
267.12399	8.5
300.99692	2.7
327.21716	19.7
413.22919	3.6
431.24371	5.5
461.20630	9.8
503.21295	9.9
525.59454	2.2
649.33289	2.7
667.33350	3.9
711.32178	35.8
712.32245	2.7
741.27838	4.4
755.31476	5.5
773.31555	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	773.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17020	0.4
61.98839	0.7
64.77702	0.4
68.90466	0.3
71.01383	0.9
73.72543	0.4
78.95907	4.3
79.95747	3.3
82.63097	0.3
85.79038	0.4
89.69948	0.4
90.97154	0.4
91.99138	0.4
94.92531	1.2
96.92205	2.2
96.96023	100.0
96.96919	5.8
118.96610	0.4
120.91689	0.4
120.98723	0.4
144.98289	0.4
166.67821	0.4
211.65062	0.4
228.74963	0.4
277.21680	0.7
322.06543	0.4
361.04663	0.7
397.13458	0.9
407.17560	0.8
435.08224	0.9
453.09265	2.3
455.82788	0.4
596.93225	0.4
713.30823	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.98198	0.8
60.10779	0.7
60.82433	0.7
61.44022	0.6
61.98824	3.2
70.42706	0.8
71.01407	1.6
72.43967	0.6
75.00877	1.3
82.95422	20.2
83.05064	1.0
84.95126	1.4
85.00433	3.8
85.55930	0.6
89.02454	1.3
96.95995	4.3
97.06612	0.9
99.00893	0.9
101.02455	1.0
101.14312	0.7
101.16035	0.6
103.00446	12.9
103.01501	62.1
109.06604	0.8
116.92906	1.7
163.11345	0.7
171.10249	4.5
183.13968	2.0
197.11929	2.6
198.12248	0.8
201.11401	2.5
204.70003	0.9
207.10353	2.3
208.10744	0.9
209.11827	15.3
210.12207	3.2
211.13562	1.6
225.11391	2.1
227.12981	2.2
235.08263	1.2
253.09296	3.9
291.19717	1.7
300.99960	1.0
309.20718	4.9
326.20752	0.9
327.21667	4.1
329.22974	0.8
388.20563	0.8
388.79910	0.7
487.00323	0.8
729.45135	0.9
773.43213	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	773.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.3
59.01389	24.2
60.27338	4.3
61.98839	5.7
63.31178	4.7
70.13463	4.2
71.01378	20.2
73.02956	5.4
80.36643	4.7
81.03481	10.5
82.95411	6.4
85.02961	7.8
95.01376	7.2
96.95996	25.7
97.02972	25.0
98.95611	7.2
101.02464	13.4
102.49928	5.1
109.06601	18.2
113.02457	6.7
116.62484	4.5
125.02440	10.1
135.08234	6.2
148.92096	4.8
154.20911	4.9
163.11351	10.9
169.01445	17.5
171.10307	6.3
207.10281	50.5
209.09886	6.3
209.11835	100.0
223.13426	65.0
225.11357	26.6
227.12924	26.1
253.09248	14.9
267.12418	9.0
327.21500	10.2
445.20813	11.4
503.21518	5.2
531.92993	5.3
711.32385	35.9
773.36328	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	773.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70383	3.4
59.01384	4.3
61.98851	4.4
66.57881	3.7
75.01622	4.5
89.56828	4.8
98.21838	6.7
101.69772	4.3
111.08205	6.7
134.34956	3.5
151.67831	3.7
169.12349	6.6
193.96936	3.9
207.10139	5.1
209.11830	100.0
209.13736	6.8
215.68361	3.7
227.12939	27.9
235.08324	4.1
253.09166	7.9
291.19650	87.5
312.93234	4.2
373.29138	3.6
406.28235	4.1
445.20740	6.5
527.28638	10.8
657.60907	4.4
719.39478	5.2
773.39282	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	773.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.5
61.98826	19.9
64.04427	5.7
69.76026	23.0
69.91801	5.8
78.95893	6.8
98.21969	6.7
109.06635	14.9
110.70932	5.8
131.49664	6.4
151.61794	6.5
167.38962	5.7
171.10416	5.5
201.04105	6.0
207.10260	67.3
209.11887	13.1
210.63179	6.0
225.11310	22.4
235.08189	9.7
253.09236	30.5
263.01913	5.6
291.19717	9.9
293.21280	100.0
400.82678	5.6
426.36899	6.5
443.19373	8.4
719.39795	9.7
737.41089	46.6
760.57416	5.9
773.38989	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.2
61.98831	36.2
71.01392	20.6
72.29784	3.9
74.29210	4.5
78.95926	6.3
83.05046	4.9
85.02966	5.1
89.02443	6.1
96.95999	4.2
101.02448	5.0
109.06590	5.2
109.54017	3.8
113.37591	4.0
142.81363	4.3
163.11330	5.7
165.12875	8.7
169.12410	7.3
171.10269	23.9
171.11482	4.2
172.10641	5.1
185.11874	7.5
186.12112	4.5
191.44746	4.0
201.11356	15.1
207.10181	10.0
209.11861	72.5
210.12157	9.9
211.13397	14.0
212.13727	9.3
223.13460	4.6
225.11415	9.0
227.12971	25.8
235.08319	7.0
253.09322	19.5
291.19687	100.0
292.19962	6.9
293.21249	14.4
309.20547	7.2
311.21915	5.9
342.23859	6.1
351.19858	5.6
737.40186	4.6
773.38989	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03431	0.7
58.00624	0.2
59.01384	6.7
60.89857	0.2
60.90166	0.2
61.98838	1.9
69.03454	0.6
69.55197	0.2
71.01020	0.3
71.01389	4.6
71.05029	0.3
72.99310	0.2
73.02955	1.3
80.02682	1.2
80.91669	0.2
81.03469	1.4
82.94978	0.3
82.95426	3.8
83.01393	0.7
83.05035	5.1
84.02189	1.3
84.95075	0.2
85.00423	1.1
85.02958	2.9
87.00874	0.9
89.02460	2.8
91.04023	0.4
95.01414	0.5
95.05038	0.9
96.96029	2.3
97.02953	0.8
97.06603	2.5
98.22628	0.5
99.00864	0.3
99.04577	0.2
99.92579	0.3
101.02454	4.0
107.05016	0.4
109.06590	0.6
110.03751	0.2
111.04522	0.3
111.08134	0.3
111.81661	0.2
113.02461	2.5
116.92867	1.1
119.03519	1.3
123.08197	0.3
125.02426	0.4
125.06075	0.6
125.09730	1.1
127.07669	0.3
127.11269	1.2
133.05089	0.3
135.08157	0.8
137.09763	0.3
143.03514	0.5
145.05077	0.4
155.10783	0.8
155.14389	0.3
157.05063	0.5
161.02448	0.3
161.04590	1.8
161.86436	0.2
163.11314	4.2
165.12854	3.4
167.10814	0.2
167.14433	0.5
169.01443	0.2
171.10289	4.6
177.12889	0.7
179.05588	0.6
181.12344	0.8
183.13931	2.2
185.11833	0.9
191.10768	0.8
193.12331	0.7
193.15952	0.2
197.11870	0.4
199.13426	0.4
203.10796	0.3
207.10265	0.4
209.11847	100.0
209.89966	0.2
210.12173	3.6
211.13411	11.9
212.13699	0.3
221.11844	2.3
223.13341	0.4
225.11302	0.5
227.12907	13.7
228.13240	0.5
229.14444	8.8
230.14835	0.3
235.08249	8.0
236.08559	0.3
239.12903	1.0
247.20694	0.4
253.09299	18.8
254.09734	0.5
291.19687	4.0
295.37463	0.2
300.99936	0.4
309.20731	7.1
310.21008	0.5
327.21777	56.8
328.22174	2.9
342.20447	0.2
432.93045	0.2
445.20798	1.5
461.20157	0.2
463.21863	0.2
519.33228	1.1
537.34216	0.3
545.29803	1.0
563.30890	1.9
591.01770	0.2
754.32300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21192	0.1
61.98836	100.0
69.77695	0.6
81.01280	0.1
84.10156	0.2
98.22536	0.2
134.03763	0.4
162.25986	0.1
184.01251	0.2
193.05115	0.6
218.12453	0.1
261.65314	0.2
269.63736	0.2
272.89169	0.1
293.29922	0.2
403.58945	0.2
517.18652	1.0
780.80859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.9937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90287	3.7
59.01384	95.1
61.98832	8.1
65.84197	4.0
71.42829	5.4
73.27352	3.7
80.23242	4.1
83.47224	3.9
93.22153	4.0
96.95983	6.1
136.94025	7.8
142.55484	4.3
159.01524	24.8
170.55617	3.9
174.99240	32.6
178.95061	7.8
192.58076	4.0
201.02591	35.2
202.02684	7.0
203.02330	6.0
210.90755	3.6
217.00311	100.0
217.02290	7.8
249.31897	4.0
288.83282	15.7
290.82886	6.2
301.02747	5.5
317.00476	21.7
330.84387	16.3
332.98181	17.0
345.03360	6.4
362.79892	4.6
374.99261	17.9
404.81461	7.9
474.85153	4.8
474.99313	6.7
488.83105	8.7
509.85220	4.5
556.98566	13.6
572.96332	9.7
630.84473	12.3
631.85413	7.6
632.84229	18.6
632.98987	6.0
722.18042	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	775.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.6
57.03458	2.9
59.01387	27.4
61.98830	9.6
69.03475	3.3
69.14300	9.2
69.14716	5.3
70.02748	2.0
71.01377	26.5
71.18459	1.9
73.02950	3.9
75.17310	2.2
75.92542	2.0
78.39432	2.0
81.03468	33.1
82.95428	17.2
83.05032	8.8
84.65018	2.0
84.95143	11.2
85.00430	5.5
85.02946	4.5
87.00880	4.1
89.02447	8.8
92.33633	2.1
95.01376	12.9
95.05045	3.3
96.96025	11.9
97.02974	8.6
97.06606	3.6
99.00905	5.5
101.02451	10.3
107.01408	3.5
107.04923	2.1
109.06606	6.1
113.02429	7.2
116.92949	2.4
117.80552	2.1
119.03517	3.3
123.00936	5.3
124.01659	5.4
125.02464	40.6
125.09722	9.2
139.00397	2.3
141.01938	6.4
145.02907	3.0
151.00334	2.2
151.11327	2.5
161.04556	3.5
163.11256	7.4
165.05598	3.9
168.00682	5.4
169.01448	88.4
171.10286	22.4
179.05609	2.5
181.12349	6.6
185.11925	2.9
197.11867	5.5
199.09741	6.7
199.13475	4.2
201.11394	9.2
207.10274	18.0
207.13956	3.0
209.11865	100.0
210.12106	3.7
211.02515	4.1
223.13417	16.0
225.11385	30.8
225.14948	35.9
226.11603	2.7
227.12949	25.5
235.08238	6.6
241.14470	34.5
242.14897	2.5
251.13016	3.3
253.09283	15.6
261.00421	2.3
269.13849	6.5
271.04745	5.5
275.02026	5.0
301.00153	10.3
301.02887	2.3
302.00040	2.3
461.20334	6.3
462.20883	2.1
505.23047	6.5
587.23822	2.9
627.30212	2.9
636.31042	2.7
645.31702	2.7
671.32806	3.0
695.33759	3.7
707.35120	4.4
713.34009	22.8
714.34070	3.2
731.33954	2.9
739.24591	44.5
740.25256	8.6
757.32806	12.0
775.35345	7.5
776.17413	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	775.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03440	6.8
57.85404	1.3
59.01391	18.2
59.67965	1.3
60.06484	1.5
61.98814	3.7
69.03458	1.3
71.01385	11.3
73.02937	4.1
81.03474	3.8
82.94978	2.8
82.95427	36.2
83.01383	2.1
83.05019	5.4
85.00422	1.7
85.02932	4.1
87.00871	3.0
89.02428	4.4
89.03539	1.6
95.01365	1.9
95.05006	3.9
96.96009	6.6
97.02951	18.4
97.06580	6.1
98.22653	5.0
98.95667	1.7
100.35981	1.6
101.02426	8.8
107.04990	1.6
109.06572	2.5
113.02451	4.3
119.03468	1.9
121.02940	2.0
123.08170	3.1
124.01719	2.3
125.02442	8.4
125.09719	6.3
127.11272	5.7
127.85490	1.6
137.09761	1.9
142.98123	2.3
150.58740	1.4
155.10794	2.8
160.99133	2.0
161.04509	4.0
163.11324	7.3
165.01991	2.2
165.09219	2.8
165.12842	1.8
169.01445	8.6
171.10312	7.1
177.12886	1.8
179.00198	18.4
179.14430	3.5
187.11215	2.1
199.09727	3.4
201.09511	2.9
201.11348	54.1
205.12311	5.8
209.11853	50.3
223.13405	100.0
224.13684	3.5
224.98189	1.4
225.11378	3.5
225.14955	2.7
227.12943	7.0
235.08273	1.6
249.08264	1.5
249.11288	5.0
253.09331	9.1
267.12360	5.6
275.01999	2.2
300.99783	5.5
503.21350	3.6
624.14978	2.1
645.31128	2.0
687.32495	32.2
688.32294	3.3
713.33875	58.8
714.33929	6.3
731.34998	29.7
732.35101	2.7
734.34326	1.8
775.33948	75.4
776.34753	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	775.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.0
61.98832	3.0
62.06412	0.9
64.83559	1.1
67.31538	1.1
69.85831	3.3
71.01391	16.4
77.97029	1.1
80.02656	1.5
81.03464	2.3
83.05038	3.1
85.02967	2.2
85.37117	1.0
86.86101	1.1
89.02467	3.3
97.02956	4.6
98.22574	2.0
99.00909	1.3
101.02464	7.0
109.06602	32.2
110.03735	2.0
113.02476	3.3
121.06649	2.0
132.72264	1.0
135.08170	4.4
136.05322	1.0
142.02646	1.1
156.40698	1.2
161.04588	2.6
161.09810	1.9
163.11269	17.4
171.10252	3.5
179.05615	1.3
181.12352	5.2
185.11855	1.8
189.09200	3.2
199.09761	3.9
207.10287	100.0
208.10585	3.8
209.11850	8.7
225.11340	49.9
227.12904	1.3
235.08199	2.5
243.12442	1.5
253.09320	14.6
277.21762	83.0
278.22165	2.7
281.13892	1.4
435.18677	1.3
443.19150	3.8
461.20245	21.5
568.72528	1.2
721.41858	19.6
722.42163	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.0
61.88874	1.2
61.98830	5.0
67.47858	1.1
71.01388	13.2
76.18082	1.2
76.60865	1.1
81.03457	1.3
83.05043	1.8
85.02937	1.7
89.02456	3.0
97.02967	3.5
98.22674	3.2
101.02461	4.8
109.06605	13.9
110.03735	1.3
113.02479	2.4
121.06593	1.2
129.82397	1.3
135.08167	1.8
136.05365	1.0
156.49307	1.3
163.11296	7.4
171.10390	1.5
181.12373	1.6
199.09814	1.5
207.10275	43.9
209.11884	6.1
225.11328	20.5
235.08200	7.8
240.04048	1.2
253.09290	11.1
277.21741	100.0
278.22040	8.0
299.15048	1.3
308.07471	1.2
388.12265	1.2
443.19547	2.6
452.38681	1.5
461.20135	6.0
468.66553	1.3
519.92542	1.4
579.79224	1.5
697.68927	1.6
721.41443	12.9
722.42352	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	775.405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34084	5.3
61.98842	7.8
69.25330	30.3
70.81026	5.2
85.43712	4.8
87.19375	5.1
91.25900	5.9
99.90921	5.8
102.53849	6.7
152.66910	5.9
171.10361	5.7
209.11864	100.0
227.12926	24.2
253.09302	22.7
282.15347	5.1
293.21320	77.3
310.33313	5.8
415.39127	6.1
445.20804	10.8
775.40771	42.1
776.41077	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	775.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.1
61.98830	61.1
70.96918	20.9
78.95954	15.6
96.96009	23.9
124.77656	15.0
171.10202	29.5
187.28102	15.8
207.10246	45.5
209.11845	100.0
211.13412	47.8
227.12881	76.4
247.09398	20.0
253.09291	45.6
291.19757	87.6
293.21313	87.3
309.20676	24.2
329.17313	28.0
359.90207	16.6
422.86676	16.2
444.87421	17.0
449.58340	17.9
602.96326	18.7
737.40991	19.9
775.40417	44.1
776.39148	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	53.6
61.98816	77.7
61.99094	19.1
69.31512	32.2
69.31916	100.0
78.95919	39.0
83.28801	17.5
96.96010	78.8
111.83795	19.2
116.70916	19.4
128.28131	18.1
152.99545	28.0
184.59598	18.6
209.11726	55.7
211.13377	66.4
225.77162	18.6
253.09245	24.1
263.09070	29.3
274.28522	20.2
291.19568	32.6
293.21191	56.4
309.20627	29.3
486.05957	22.5
775.39935	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.67872	79.4
70.68669	93.5
71.41911	80.6
80.04566	83.4
84.36806	73.1
93.73432	80.8
100.47604	72.7
173.02098	84.2
197.46335	74.5
261.38492	81.2
361.59796	78.2
735.97504	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
59.66611	0.1
68.70186	0.1
78.95910	4.8
79.95744	3.5
94.98091	0.5
95.97598	0.2
96.96021	100.0
96.96914	6.1
97.95957	0.3
101.02424	0.2
120.04755	0.2
274.04547	0.1
364.99478	0.1
453.61261	0.1
511.61914	0.2
764.38440	0.1
775.47058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23550	0.5
61.98835	100.0
71.43942	0.5
88.43824	0.5
103.69493	0.5
126.11186	0.5
188.13066	0.5
238.19572	0.5
284.60535	0.4
296.75616	0.5
441.97186	0.5
713.26709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.88985	0.4
70.93134	0.6
80.96528	0.5
88.14008	0.4
93.81118	0.3
111.70441	0.4
112.57985	0.4
128.87801	0.5
147.98628	0.4
207.10275	0.6
231.91484	0.4
244.52124	0.4
252.53598	0.5
279.23349	0.9
327.77356	0.5
392.48132	0.4
563.27094	0.5
634.96051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
56.33678	0.4
57.03447	1.0
59.01364	1.0
60.50739	0.4
69.46496	1.9
69.46828	0.4
71.01389	1.2
72.99303	0.8
83.01394	1.1
94.96674	0.5
96.77705	0.5
96.96017	1.4
99.00890	15.1
101.02450	3.1
107.01431	0.5
117.01946	7.7
119.03567	0.5
119.05034	3.8
123.00947	0.5
123.04533	2.8
125.02476	2.6
144.43515	0.5
145.01442	57.8
146.01770	0.8
151.00414	0.5
153.05534	3.3
153.87480	0.4
163.02502	100.0
164.02843	1.9
169.01407	3.6
192.17410	0.5
209.08128	0.7
217.84735	0.4
243.02657	0.5
300.99756	0.8
309.06210	7.9
310.06381	0.5
313.05640	1.7
373.11194	0.7
467.12018	11.3
468.12900	0.9
601.63690	0.5
708.02277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	3.1
83.31784	1.7
85.31065	1.8
98.21867	3.7
107.94444	1.6
108.02176	2.3
121.02958	3.9
122.03743	9.2
123.00881	2.1
123.04533	2.4
125.02437	3.6
127.60528	2.0
136.37610	1.6
147.04498	3.1
149.02472	10.1
150.03252	36.2
151.04045	2.7
152.74321	1.8
162.03226	2.3
164.04732	2.3
165.05583	31.8
169.01445	5.0
169.85318	1.9
175.04024	30.4
176.04721	2.7
177.05534	7.4
179.03494	2.7
180.04321	2.8
181.05090	1.9
188.04831	2.2
190.06337	12.6
195.06656	14.7
202.83368	1.7
209.08211	3.0
210.06903	2.4
218.05887	15.7
222.05225	8.9
237.05756	2.4
237.50148	1.7
238.06345	6.1
253.05048	2.8
254.05844	3.8
265.05151	2.5
266.05865	7.9
269.08041	2.6
277.05045	2.7
278.05762	12.2
279.06363	3.6
281.04578	5.5
281.08130	4.6
289.00851	1.6
294.05325	6.0
296.06778	2.4
297.07675	5.8
298.84122	1.8
306.05487	12.9
307.06226	9.8
309.04028	12.0
309.07724	7.0
310.04794	5.6
313.10962	2.6
320.06741	5.4
321.07669	37.2
322.04926	3.4
322.08304	9.7
324.06454	16.7
325.07196	28.8
335.09171	4.1
336.10019	11.2
337.07190	35.7
337.10779	3.0
339.08762	36.3
340.09598	23.8
341.10150	6.4
341.13986	2.3
343.11731	2.0
352.09586	12.9
353.09875	4.1
354.11124	23.5
355.08389	4.2
355.11905	59.2
367.11887	100.0
368.12350	5.2
370.10541	5.2
385.12817	21.1
551.19177	4.1
564.09741	2.0
581.20319	5.0
683.47668	2.3
699.24567	32.7
700.25415	3.2
729.25513	9.1
747.26776	3.5
759.26453	2.2
777.25153	8.9
777.39264	3.3
778.27258	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	777.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86730	0.5
59.21507	0.5
61.98826	0.9
69.25316	2.2
93.03458	1.9
121.02980	2.3
122.03775	5.0
123.04523	1.1
127.45604	0.5
136.01660	0.8
147.04546	1.5
149.02463	5.9
150.03236	28.0
151.04053	1.1
162.03241	2.2
163.03952	0.8
164.04805	1.9
165.05583	21.0
166.02669	0.5
175.04021	10.3
176.04759	1.1
177.01961	1.9
177.05562	3.9
179.07190	0.8
180.04297	1.6
188.04797	1.3
190.06378	3.9
192.04317	2.1
195.06625	10.8
195.08269	0.9
207.06619	3.7
210.06885	1.3
218.05830	3.3
221.06088	0.8
222.05176	3.2
222.07269	0.7
225.05634	0.9
226.06462	0.9
234.06812	0.9
236.04814	0.6
237.05656	1.6
238.06363	4.9
241.05046	1.0
249.05571	0.8
250.06384	1.7
253.05199	1.5
254.05827	2.9
263.03528	0.5
265.05127	3.2
265.08813	0.6
266.05865	8.0
267.06454	1.5
269.08182	1.5
277.05118	2.4
278.05847	10.0
279.06613	3.3
281.04639	4.3
281.08234	5.1
282.05344	3.1
289.05109	0.6
291.06705	1.2
292.04276	0.5
292.07419	1.7
293.04755	1.1
293.08081	1.2
294.05353	3.9
295.06146	1.1
297.07724	4.6
305.04581	1.3
306.05414	11.8
306.08868	0.7
307.06158	8.1
307.09708	1.1
309.04099	5.8
309.07724	4.2
310.04776	5.3
313.10757	0.6
320.06955	3.4
321.07693	34.2
322.04822	3.1
322.08426	8.2
323.05637	0.7
323.09109	0.8
324.06384	8.1
324.10034	0.9
325.07184	26.4
326.07739	1.9
335.09317	2.4
336.10068	12.0
337.07220	27.5
337.10901	4.7
338.07553	1.8
338.11389	0.6
339.08752	18.6
340.09528	23.3
341.10034	3.3
343.11966	1.5
352.09592	9.1
353.10263	3.3
354.11160	8.6
355.11899	53.7
356.12296	2.3
357.13318	0.5
367.11902	100.0
368.12225	5.2
369.10001	0.6
370.10715	1.8
385.12921	5.4
433.05646	0.6
488.14978	0.8
503.17258	1.7
515.17572	0.8
533.18182	4.4
551.19238	3.2
581.20410	7.5
582.20062	1.0
699.24487	15.6
700.24805	2.0
729.25177	2.5
747.26807	3.2
759.26099	0.8
777.27399	5.0
778.27533	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	777.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61982	0.2
57.97407	0.2
59.01385	100.0
60.01727	0.9
62.77268	0.2
65.79890	0.2
66.13949	0.2
66.79916	0.2
70.57411	0.3
71.01373	0.2
75.00877	1.4
78.37534	0.2
103.00423	22.9
103.01500	60.3
104.00643	0.3
104.01846	0.4
105.01894	0.3
112.23170	0.2
169.01337	0.2
171.10243	0.3
207.10243	0.6
209.11838	3.0
227.12883	0.6
241.81413	0.2
274.98492	0.2
283.82758	0.3
289.36252	0.3
299.93802	0.3
789.35077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77576	4.9
59.01373	5.8
61.98831	16.1
62.88481	5.7
63.51399	5.6
78.95915	10.3
88.62016	4.9
99.03996	4.7
104.26882	5.6
131.47733	5.4
171.10291	7.7
201.11388	53.3
209.11841	100.0
211.13512	12.0
225.11313	9.5
227.12854	26.2
249.15054	12.8
253.09279	18.8
277.21777	79.4
293.21182	6.4
437.20172	6.6
443.32111	6.3
445.20712	9.9
467.52240	5.6
471.34634	7.1
513.30646	7.7
553.11493	5.6
589.06750	6.5
777.41870	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40139	10.7
57.90529	12.4
61.98822	30.6
64.73304	10.9
71.40936	12.2
85.60368	11.0
111.17127	12.4
135.54597	11.3
171.10329	16.6
197.11810	35.1
197.32381	12.0
209.11864	100.0
211.13419	23.3
227.12926	19.4
250.02933	12.9
253.09445	21.2
287.40958	12.9
295.22845	50.4
300.99716	16.9
329.87662	12.6
350.68805	13.1
535.42645	13.6
552.44971	12.4
777.41779	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11619	0.8
59.01380	4.4
59.65916	0.8
61.98829	3.4
69.03454	2.0
71.01382	2.3
73.02964	0.8
89.02436	2.4
95.72172	0.9
101.02459	2.7
113.02447	1.3
119.03483	1.0
144.73897	0.9
145.05040	1.2
161.04558	1.5
167.10808	2.8
171.10240	0.9
179.10881	0.8
179.14426	3.6
195.13918	12.6
201.11351	2.4
205.12331	7.8
209.11858	3.2
210.12138	1.0
211.13385	0.8
223.13412	100.0
224.13760	3.7
227.12901	1.8
235.08281	6.2
253.09315	20.3
256.13022	1.2
270.82999	0.8
275.20200	4.9
277.21725	5.1
278.22052	2.0
293.21259	93.3
294.21490	6.2
309.29770	0.9
441.21283	1.0
444.16422	1.1
459.22427	16.6
460.22867	1.8
499.34491	1.6
511.29666	1.0
529.30084	3.1
735.43347	3.8
778.44037	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	779.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12635	0.3
58.22964	0.4
59.01384	1.0
69.03472	1.5
70.22985	0.8
70.23325	0.8
71.01386	6.6
72.99316	1.6
81.03477	1.0
83.01386	0.5
85.02964	0.6
89.02453	1.0
95.01430	0.6
97.02972	1.3
102.36990	0.4
107.01407	3.0
115.00385	13.4
119.46221	0.4
121.58777	0.4
123.00917	2.8
124.01669	3.2
125.02459	75.3
126.02853	0.5
130.92648	0.4
133.01451	33.6
133.03030	1.1
134.01772	0.5
134.03696	0.6
135.04543	10.5
139.00435	0.9
148.12917	0.4
151.00404	2.1
168.00656	1.9
169.01447	100.0
170.01787	2.0
177.01947	0.8
177.81725	0.4
179.03526	7.3
211.02498	0.8
272.90079	0.4
275.01801	0.5
295.04565	1.8
300.99942	0.7
313.05676	28.6
314.05930	0.7
327.37738	0.5
331.06760	2.2
483.07788	90.7
484.08005	3.7
539.53998	0.4
549.34351	0.5
615.64252	0.5
671.43304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
69.32597	1.2
71.01367	3.1
71.42509	1.8
107.01394	3.7
115.00396	5.9
123.00861	5.7
124.01646	6.0
124.83832	1.6
125.02460	61.4
133.01431	19.8
133.02945	1.6
135.04539	5.1
137.02446	1.6
139.00301	1.8
140.01137	1.8
145.01428	1.6
151.00381	2.3
161.02454	1.8
162.06763	1.2
165.01938	1.6
167.03508	1.9
168.00662	7.0
169.01436	74.8
179.03522	4.0
186.58810	1.3
193.01418	2.4
211.02490	24.0
241.03490	3.1
267.03085	1.6
271.04608	29.9
275.01901	1.5
287.07709	1.7
300.99792	5.2
313.05661	11.3
331.06683	11.4
408.69293	1.4
421.49213	1.3
439.08795	14.8
457.17258	1.4
483.07663	100.0
484.08182	6.5
497.85443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60877	0.7
69.68906	1.3
69.69303	1.1
71.01389	15.2
72.99316	3.3
79.51392	0.6
85.02990	0.9
87.00906	0.8
89.02460	2.6
97.02954	0.8
98.21936	1.4
107.01409	3.1
107.91658	0.8
110.00082	1.0
111.00894	1.8
115.00388	37.5
121.79375	0.7
123.00884	4.5
124.01694	11.2
125.02461	28.9
132.17903	0.7
132.19170	0.7
133.01450	100.0
134.01820	0.9
134.03746	2.8
135.04547	27.3
136.04916	1.1
136.98872	1.0
139.00412	4.4
140.01123	3.3
151.00407	3.4
153.01974	2.9
154.02728	3.1
155.03543	2.1
161.02449	0.9
165.01964	0.9
167.03465	1.3
168.00664	8.1
168.04271	1.1
169.01447	42.2
169.05040	1.3
170.01759	1.2
177.01935	0.8
179.03516	25.2
180.03906	1.3
180.97090	0.6
183.02986	1.6
193.01454	0.8
211.02531	2.2
241.03613	1.1
271.04633	1.4
295.04599	3.2
297.06329	3.2
300.99908	1.0
313.05701	9.8
483.11993	75.6
484.12381	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	779.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98822	2.1
67.24734	0.8
69.33701	4.8
93.03477	3.7
108.02205	1.6
121.02953	5.7
122.03757	13.1
123.00852	1.0
123.04540	1.9
132.02196	1.5
133.02983	2.1
136.01669	1.7
137.02399	1.0
145.02832	0.8
146.03755	1.3
149.02449	25.9
150.03239	68.1
151.03804	3.1
160.01698	2.9
162.03236	1.2
163.04056	1.7
164.04808	7.8
165.05582	60.0
166.05930	1.4
169.01483	1.5
175.04031	3.9
177.05606	2.4
178.02689	0.9
179.07129	3.9
180.04243	5.1
190.06352	2.4
193.05034	1.8
195.06624	39.4
203.07100	1.5
206.28844	0.9
209.06145	1.1
221.05927	1.0
222.05208	1.6
231.06165	0.8
237.05492	1.2
238.06389	2.7
239.07155	1.0
240.04247	1.0
240.07935	4.2
251.07089	1.5
252.07884	1.0
255.06697	1.5
255.10271	2.0
256.07321	3.3
263.07068	1.0
265.04831	1.9
266.05887	1.7
267.06674	2.5
268.07370	11.3
269.08078	2.8
278.05945	1.3
280.07358	4.4
281.08057	1.1
283.06155	2.7
283.09793	9.6
284.06937	2.4
291.06647	1.2
293.08237	1.9
294.05429	1.9
294.08713	0.9
295.06049	2.0
296.06863	7.0
297.07678	3.3
298.08380	2.1
299.09253	4.1
306.05313	0.9
307.06335	1.3
308.06976	7.0
308.10129	1.4
309.07770	7.7
311.05618	2.4
311.09283	6.7
312.06384	9.4
312.09659	1.8
313.10849	5.1
321.07718	1.3
322.08432	3.9
323.09219	17.4
324.06305	4.6
324.10049	10.7
325.07239	1.4
325.10727	3.1
326.07910	4.3
326.11627	2.3
327.08780	28.2
327.12225	2.0
328.09219	1.9
337.10687	1.4
338.11508	5.4
339.08719	37.8
339.12436	9.3
340.09216	3.5
341.10355	7.9
342.07004	1.7
342.11102	29.4
343.11859	27.5
344.11993	1.9
354.11087	12.7
355.11862	4.4
356.12650	3.9
357.13458	87.9
358.13831	5.9
369.13443	100.0
370.13885	5.9
370.44223	0.8
373.12918	1.6
391.13892	4.3
403.94070	0.9
415.72025	1.0
535.19733	15.1
583.21942	7.4
671.24890	2.1
683.25067	3.4
701.26013	2.7
731.27142	8.6
732.26971	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84716	0.2
55.91971	0.2
59.01390	1.7
60.99312	18.1
61.84070	0.2
61.98817	0.8
62.70080	0.2
62.92712	0.2
71.01383	0.7
72.99349	0.4
74.26195	0.2
75.00889	0.2
83.05053	0.2
83.87194	0.2
84.95133	0.3
87.00887	0.9
88.98814	100.0
89.02457	0.8
89.99139	0.5
98.22735	0.3
101.02415	0.2
103.01495	0.7
105.01933	2.0
125.02482	0.3
147.08363	0.2
169.01447	0.4
171.10323	0.7
195.09886	0.2
207.10233	0.2
209.11858	1.7
225.11349	0.3
301.00034	0.5
451.52551	0.2
638.29968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	1.0
61.79092	1.1
61.98835	2.2
71.40600	0.9
93.56269	0.9
93.58025	1.0
102.95718	3.5
103.00491	6.8
103.01506	70.7
113.49794	1.0
196.08405	0.9
776.42627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75661	1.1
61.98830	3.8
71.41052	1.3
83.77732	1.2
92.73226	1.1
108.27123	1.3
156.98055	1.1
158.02492	1.2
201.11371	2.4
203.47745	1.5
209.11798	5.0
223.02794	3.8
277.21680	3.7
291.09061	7.6
291.19598	1.4
293.21274	1.4
307.12216	5.1
359.99155	1.5
471.34833	100.0
472.34885	6.2
642.06036	1.3
645.58264	1.3
679.78333	1.4
779.39001	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	780.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.0
61.98825	5.1
71.01371	4.2
73.02955	2.0
80.02686	2.0
81.03488	3.4
83.05025	3.7
85.02960	1.9
89.02478	3.3
93.00991	1.2
96.96004	3.7
97.02952	6.0
98.21861	4.5
99.00865	2.6
101.02460	6.5
107.05026	1.4
109.06601	36.0
110.03748	1.7
113.02438	3.0
116.40104	1.3
121.06529	1.4
123.04475	1.7
135.08167	4.9
161.04575	2.5
161.09720	1.9
163.11301	17.0
179.10715	1.8
181.12370	4.7
189.09175	2.9
195.13905	5.5
205.12424	1.4
207.10280	100.0
208.10625	5.4
209.11826	20.3
211.13350	1.4
223.13368	3.7
225.11345	39.9
226.11687	1.6
227.12964	3.3
235.08214	8.3
253.09273	22.8
275.20090	5.8
291.19733	16.3
293.21268	80.7
294.21613	5.7
299.14896	2.5
403.55597	1.3
429.71765	1.4
443.19012	7.8
461.20337	16.1
719.40118	3.9
737.27838	2.2
737.41180	40.2
738.41632	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	781.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77277	2.1
61.98829	3.1
69.67765	1.9
78.24319	2.1
90.91298	2.3
93.03461	4.0
96.96025	4.1
108.02146	2.4
121.02970	10.8
122.03769	13.3
122.58029	1.9
124.01714	2.4
125.02566	2.3
133.02931	3.4
134.03761	2.6
136.01697	5.4
137.02457	3.1
147.04510	3.0
149.02460	24.2
150.03244	100.0
151.03848	7.7
152.36588	2.0
164.04805	11.6
165.01958	7.7
165.05585	93.4
166.06122	4.4
169.01366	2.9
175.04030	2.4
177.05623	2.5
178.68703	2.4
179.03551	2.7
179.07146	4.9
180.04277	11.2
181.05042	2.9
195.06648	73.0
207.06677	3.3
210.05377	2.8
225.07747	6.6
230.61542	2.0
267.16858	2.0
269.08136	7.1
283.09866	2.8
297.07712	3.0
298.08505	3.7
299.09232	6.0
300.99905	4.4
301.10681	3.4
311.09305	6.4
313.07202	2.5
313.10681	4.0
314.08008	3.9
314.11581	10.5
325.10712	4.1
326.11768	4.6
327.08469	3.4
328.09390	3.7
329.10196	9.7
329.13959	20.4
340.08954	2.9
341.10098	8.7
341.13959	8.6
342.10760	3.0
343.11871	22.0
344.12695	14.8
345.13269	3.2
356.12601	3.7
357.13309	3.9
358.13788	6.9
359.15033	36.1
370.13831	4.7
371.14944	17.8
373.12888	6.4
507.19766	3.5
537.21375	21.4
538.21533	3.9
555.22083	2.6
585.23560	6.0
733.28357	7.5
781.30817	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	781.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77277	2.1
61.98829	3.1
69.67765	1.9
78.24319	2.1
90.91298	2.3
93.03461	4.0
96.96025	4.1
108.02146	2.4
121.02970	10.8
122.03769	13.3
122.58029	1.9
124.01714	2.4
125.02566	2.3
133.02931	3.4
134.03761	2.6
136.01697	5.4
137.02457	3.1
147.04510	3.0
149.02460	24.2
150.03244	100.0
151.03848	7.7
152.36588	2.0
164.04805	11.6
165.01958	7.7
165.05585	93.4
166.06122	4.4
169.01366	2.9
175.04030	2.4
177.05623	2.5
178.68703	2.4
179.03551	2.7
179.07146	4.9
180.04277	11.2
181.05042	2.9
195.06648	73.0
207.06677	3.3
210.05377	2.8
225.07747	6.6
230.61542	2.0
267.16858	2.0
269.08136	7.1
283.09866	2.8
297.07712	3.0
298.08505	3.7
299.09232	6.0
300.99905	4.4
301.10681	3.4
311.09305	6.4
313.07202	2.5
313.10681	4.0
314.08008	3.9
314.11581	10.5
325.10712	4.1
326.11768	4.6
327.08469	3.4
328.09390	3.7
329.10196	9.7
329.13959	20.4
340.08954	2.9
341.10098	8.7
341.13959	8.6
342.10760	3.0
343.11871	22.0
344.12695	14.8
345.13269	3.2
356.12601	3.7
357.13309	3.9
358.13788	6.9
359.15033	36.1
370.13831	4.7
371.14944	17.8
373.12888	6.4
507.19766	3.5
537.21375	21.4
538.21533	3.9
555.22083	2.6
585.23560	6.0
733.28357	7.5
781.30817	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	781.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.0
60.99305	5.5
61.98335	2.9
61.98836	65.2
70.14028	2.6
71.01373	7.7
71.43753	2.5
75.00858	5.7
76.50785	2.6
79.06491	2.5
79.95741	4.0
80.96490	4.3
83.05022	2.7
84.02141	2.6
85.02954	2.9
85.89512	2.7
87.00882	42.6
88.98817	36.2
89.02479	3.4
96.96024	2.8
101.02419	5.1
105.01913	5.2
113.02416	2.7
116.92849	4.2
121.02988	4.2
125.02383	3.0
130.99878	9.7
133.01395	2.8
135.04492	3.7
146.03732	8.8
147.04514	10.3
157.22127	2.4
159.04460	3.0
161.06023	6.0
169.01411	2.9
172.05327	5.4
173.06047	2.5
174.03271	5.6
174.06879	3.0
175.04056	4.9
185.67868	2.9
188.04796	4.4
189.05551	6.8
190.06354	21.4
200.04735	10.8
201.05582	3.5
201.11406	2.8
203.69731	2.5
209.11821	37.9
211.13358	7.1
216.07951	3.2
254.04404	4.8
271.13361	13.3
287.16476	3.2
289.14432	7.9
297.14984	8.9
299.12680	3.7
300.99884	6.0
313.14410	3.5
315.16028	57.9
323.16785	4.6
325.14355	17.0
333.17050	12.2
341.17487	5.8
343.15399	10.6
357.16989	4.6
359.19385	3.8
369.13477	4.0
671.30945	5.1
721.42249	2.9
731.33112	5.9
749.33807	45.1
750.34369	4.9
763.35364	3.6
781.36420	100.0
782.36633	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	781.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
60.23479	1.2
61.31248	1.4
61.98827	1.6
63.96212	2.7
69.06853	10.9
71.01384	11.4
73.02952	3.0
74.15294	1.4
78.95911	2.8
78.98587	7.2
79.95743	76.7
80.96527	100.0
81.03445	1.7
85.02968	4.1
87.00878	3.7
94.98093	18.3
96.96006	2.6
97.02946	2.1
101.02444	2.7
106.98087	4.4
122.97578	3.4
125.02442	3.7
134.97560	7.1
136.99144	3.5
137.20155	1.3
148.99161	5.1
149.54024	1.3
152.98647	5.5
160.48096	1.3
161.04617	1.6
164.98657	15.0
188.98701	1.4
201.03003	1.5
206.99666	4.7
225.00752	27.2
244.22437	1.4
255.23276	3.6
341.05405	4.9
425.14624	3.9
507.15656	1.5
525.16962	1.7
537.27374	4.9
560.71198	1.7
637.32355	1.7
667.73566	1.5
763.39642	34.5
764.39667	7.8
781.40491	98.7
782.40601	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	781.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	11.2
69.87281	3.4
69.87582	4.1
71.01372	4.7
78.95907	27.6
78.98557	4.9
79.95753	20.4
80.96529	50.8
81.03434	2.4
83.05045	2.9
94.98086	8.0
96.96968	7.0
98.22554	3.2
122.34959	2.5
134.97565	4.8
137.53239	2.2
142.55450	2.4
148.99120	3.9
164.98654	7.0
209.11841	16.4
223.00082	3.0
225.00700	8.6
227.12807	3.4
241.01196	6.5
255.23305	10.4
281.24905	3.7
379.97443	2.5
763.39282	10.6
767.08081	2.5
781.40955	100.0
782.41296	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	781.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.6
61.98831	36.9
71.01387	13.4
78.39131	2.0
78.98561	2.5
79.95742	4.6
80.96522	22.3
81.03462	2.2
83.01367	2.1
83.05022	4.1
85.02963	3.4
87.00875	2.2
89.02435	4.2
94.98103	3.4
97.02945	8.7
98.22614	4.7
99.00877	3.6
100.68945	1.7
101.02435	5.7
109.05897	3.4
109.06594	40.9
110.03727	1.7
113.02443	2.5
113.85559	1.7
117.91888	2.0
135.08151	4.7
136.99036	1.6
138.98074	1.8
148.99329	2.1
163.11292	20.9
164.98677	4.7
181.12392	5.2
189.09152	2.3
196.29358	1.8
207.10274	100.0
208.10612	2.3
209.11852	3.1
225.00720	7.7
225.11322	38.0
230.20490	1.7
253.09384	12.6
255.23341	3.9
277.18710	4.1
277.21741	73.6
278.22095	3.7
278.42169	1.9
299.15097	1.7
306.35541	2.1
345.20950	2.3
417.28146	1.8
441.33521	1.8
443.18964	3.3
461.20441	10.2
513.06720	1.7
555.41522	1.8
655.61810	1.9
721.41833	25.9
722.42572	2.7
779.04761	2.4
781.40613	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.52
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01727	0.5
75.00887	1.5
81.62200	0.4
84.65636	0.4
101.02429	0.4
103.00427	23.5
103.01499	67.8
104.01885	0.3
120.35909	0.4
150.03288	0.4
287.19257	0.4
428.30386	0.4
525.83270	0.4
677.49261	1.5
694.25751	0.4
788.51721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98835	100.0
68.44861	0.1
88.98828	0.1
97.12840	0.1
209.11980	0.1
300.99936	0.2
537.92773	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	782.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	5.9
61.76778	2.7
61.98840	6.0
71.01388	2.8
71.43597	3.4
71.87987	2.4
76.86633	2.3
81.03456	2.9
84.64812	2.2
89.76408	2.5
99.00846	2.9
99.92618	5.4
113.02457	3.8
116.92867	67.6
116.97211	2.6
138.88130	2.3
153.61107	2.5
163.11343	4.4
177.50377	2.5
184.35599	2.3
195.13928	8.1
209.11842	100.0
210.12230	5.5
211.13380	10.4
223.13466	6.2
227.12891	14.2
253.09286	18.9
275.20123	8.8
291.19910	3.6
293.21246	92.7
294.21634	5.7
300.99841	2.9
309.20865	3.3
529.30603	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	782.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
59.04652	1.2
61.98834	5.8
62.85714	1.1
69.67635	3.2
71.01395	4.5
73.33470	1.3
78.95916	2.7
78.98585	1.9
79.95750	7.3
80.96523	31.8
80.96970	2.4
85.02957	1.5
94.98091	7.9
101.02432	1.7
111.76950	1.1
122.97607	2.0
134.97597	3.3
148.99168	3.3
152.98615	3.4
156.31316	1.2
164.98621	5.0
183.13960	4.1
183.75981	1.3
197.47180	1.1
209.11922	3.7
211.13416	100.0
212.13747	2.6
225.00792	10.9
235.08331	1.8
253.09282	6.6
255.23431	1.6
277.21756	55.9
278.22046	3.0
360.92639	1.4
429.21100	1.6
447.22369	11.1
476.07346	1.4
510.61810	1.3
764.39923	2.9
782.41101	21.7
783.42090	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	782.519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.3
61.98834	2.7
66.03503	1.0
69.78665	3.3
71.01363	0.9
78.95856	1.2
82.06626	3.6
84.85518	0.8
87.05687	5.2
87.06137	1.4
90.00214	0.9
98.21831	1.6
101.33031	0.8
112.07690	2.9
117.87846	0.9
118.06623	1.4
121.04052	1.5
129.10347	22.4
130.08742	3.6
139.08788	5.7
140.07178	4.0
146.06097	3.2
150.73199	1.1
155.08284	5.4
155.11951	2.1
164.09564	4.3
165.10362	5.1
166.08633	1.1
167.08295	1.5
182.12979	3.3
183.11374	4.1
195.15059	1.4
197.16682	5.1
200.14038	4.4
207.15050	18.5
209.11781	2.3
214.12430	1.2
224.17714	7.7
225.16093	4.0
241.13455	3.2
242.11880	3.2
242.18776	12.7
259.14532	4.5
293.21307	2.0
295.21368	7.6
300.99878	1.5
312.17136	3.3
313.22546	3.2
329.19696	1.3
337.26129	9.2
355.27191	2.8
425.25632	1.2
461.69159	1.0
539.39233	4.3
573.38037	5.3
615.42450	2.4
782.51910	100.0
783.52277	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	783.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57554	1.9
73.47382	0.5
95.01424	0.9
96.65547	0.6
101.42931	0.6
123.00911	1.8
125.02429	1.1
133.03003	0.7
145.02975	2.8
147.04562	1.8
157.03011	0.9
159.04514	1.1
161.02405	1.1
162.53604	0.6
163.04044	1.1
163.82779	0.6
169.01494	0.8
173.02452	2.7
175.04016	3.0
176.04169	0.7
177.01939	0.9
185.02469	3.9
187.03915	0.8
191.03476	1.1
201.01973	4.9
203.03558	5.3
213.01907	1.5
217.01454	0.8
219.03073	1.3
226.99940	0.8
229.01439	14.7
231.02960	4.3
245.00923	3.2
247.02489	1.3
249.04080	3.5
253.86926	0.7
254.99126	0.7
257.00909	10.4
258.01660	3.4
273.00656	0.7
274.01230	1.2
274.60535	0.7
275.02014	34.9
276.02319	1.8
283.99536	3.9
299.99155	4.3
300.99930	100.0
302.00296	5.1
323.01941	1.2
338.00641	0.8
339.01315	0.9
367.00629	0.7
388.99405	0.8
395.00952	1.1
407.00873	0.8
408.53848	0.7
425.01675	1.1
432.98392	0.9
450.99521	15.6
452.00101	0.9
461.33325	0.7
463.05020	0.8
481.06302	7.1
485.43890	0.7
533.05267	0.7
555.74353	0.7
631.05786	2.1
650.55304	0.7
783.06982	29.1
784.07135	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	783.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29602	0.5
70.78622	0.8
95.01409	1.0
117.03465	0.8
123.00895	1.2
125.02486	0.8
129.03482	0.6
133.02989	0.9
145.02953	2.7
147.04536	1.7
157.02956	0.9
159.04491	1.3
161.02393	0.8
163.04088	1.7
169.63850	0.6
173.02455	3.5
175.04004	1.5
185.02449	4.4
189.01999	0.6
191.03484	2.2
201.01933	4.6
203.03456	5.6
213.02031	1.3
217.01376	1.5
219.02908	1.3
226.99924	0.6
229.01428	11.0
229.03569	1.0
230.02017	0.7
231.03047	4.0
236.54886	0.6
245.00882	2.7
247.02556	0.8
249.04018	4.2
257.00900	9.4
258.01688	2.9
273.00381	0.9
274.01288	1.5
275.01996	34.6
276.02411	1.2
283.99713	3.1
299.99112	3.5
300.99918	100.0
302.00302	5.2
319.01068	0.6
450.99350	5.2
451.99765	0.6
481.06219	7.4
482.06979	0.8
679.49768	0.7
783.06976	27.8
784.07147	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	783.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89008	0.6
70.77703	0.8
80.84634	0.6
83.01469	0.7
84.00166	0.7
89.03986	0.6
95.01396	1.5
117.03434	1.0
123.00914	1.8
125.02434	1.6
129.03506	0.9
131.05057	0.7
133.02989	1.1
145.02940	3.4
147.04529	2.0
157.02963	2.3
159.04538	1.9
161.02469	0.9
163.04033	2.0
173.02478	4.4
174.03195	0.7
175.04030	3.0
176.01274	0.6
177.01927	0.8
184.01393	0.7
185.02431	5.6
187.03978	1.1
189.02002	1.3
190.02724	1.6
191.03514	1.6
199.07344	0.6
201.01949	7.1
203.03519	8.4
213.02008	1.4
217.01459	1.2
219.03067	2.2
222.33366	0.6
229.01416	14.0
229.03552	1.2
230.02196	1.0
231.02980	5.3
245.00858	3.4
247.02463	1.8
249.04089	4.9
257.00919	10.6
258.01675	5.1
273.00235	1.6
274.01172	2.3
275.01993	36.8
276.02335	1.9
282.95883	0.7
283.99628	4.4
299.01996	3.0
299.99292	3.8
300.99915	100.0
302.00311	5.7
366.31924	0.7
450.99332	2.4
481.06216	7.2
482.06836	0.6
783.06854	22.2
784.06897	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	783.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43385	1.2
69.54585	3.2
100.59486	1.4
119.05053	1.6
123.00885	2.7
125.02460	4.2
131.05057	1.5
133.02974	2.1
145.02950	2.7
147.04555	2.7
147.93077	1.7
149.02484	2.0
157.02951	2.1
159.04488	3.3
161.02499	2.6
163.03996	3.4
173.02513	5.5
173.45428	1.3
175.04002	3.1
185.02452	5.9
187.04073	2.0
189.01903	2.5
190.02763	2.7
191.03485	3.7
193.01503	2.4
199.04103	2.1
201.01913	8.6
202.02681	2.6
203.03566	9.0
205.01422	1.9
213.02095	2.0
214.02699	2.4
215.03575	2.0
217.01395	3.4
217.09682	1.5
218.02209	2.8
219.02972	2.6
225.01888	1.9
226.41794	1.6
227.03535	4.3
228.00648	1.9
229.01440	19.3
230.02048	1.4
231.02989	8.4
242.02229	3.3
243.03033	6.5
245.00935	5.0
247.02229	2.7
249.04025	12.3
251.03444	1.8
253.01431	3.6
255.02965	2.9
257.00970	17.7
257.79504	1.6
257.99036	1.4
258.01611	8.2
259.02545	1.9
267.02853	1.5
270.98999	1.4
271.02545	4.0
273.00360	5.7
274.01218	14.1
275.02005	96.5
276.02328	5.3
281.00906	3.1
283.99783	2.0
287.02005	5.2
288.02701	5.0
295.02524	2.1
299.01999	57.1
299.99176	4.4
300.02481	3.1
300.99948	100.0
301.03577	3.6
302.00244	4.7
303.01382	3.4
312.02902	1.7
313.00284	1.7
313.03571	5.3
314.00717	3.2
317.03040	11.0
327.01407	2.0
329.03079	6.6
341.03076	13.6
347.04019	2.3
359.04147	1.7
365.03098	1.8
383.03860	3.7
401.05154	2.4
403.06561	1.6
406.36819	1.5
419.06357	8.8
437.07101	9.2
450.99356	6.1
451.52911	1.7
463.05457	2.3
481.06323	26.4
482.06726	1.8
493.06439	1.6
507.04150	4.8
539.27130	1.4
721.07288	3.1
765.05371	1.6
783.06946	34.7
784.07263	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	784.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98834	100.0
62.98547	0.3
63.50377	0.1
63.99266	0.6
64.39557	0.1
69.34892	0.4
78.91911	0.2
80.96548	0.1
85.97491	0.1
93.67435	0.1
96.96038	0.5
106.59187	0.1
123.00931	0.2
125.02449	0.6
137.39970	0.1
151.00478	0.1
169.01428	0.7
209.11891	0.3
210.14923	0.1
258.80731	0.1
275.02118	0.2
301.00046	0.5
360.83493	0.1
375.85745	0.1
721.23407	1.2
722.23999	0.3
751.77679	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	784.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34917	0.1
59.70841	0.1
61.98836	100.0
62.98531	0.2
68.87820	0.1
69.32242	0.3
69.32645	0.2
78.98658	0.1
79.95736	0.2
80.96523	1.1
93.06115	0.1
94.98122	0.3
116.92847	0.1
127.27989	0.1
127.70303	0.1
134.97632	0.1
148.99228	0.1
152.98628	0.1
163.24481	0.1
164.98714	0.2
223.13470	0.1
225.00909	0.3
233.81253	0.1
277.21799	0.1
356.80807	0.1
402.77795	0.1
485.33032	0.1
496.20593	0.1
783.42603	0.1
784.42261	1.7
785.41321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44519	0.1
59.71740	0.1
60.62596	0.1
61.98836	100.0
62.98547	0.1
77.10658	0.1
78.54911	0.1
79.95759	0.4
80.96518	1.4
94.98116	0.4
98.21821	0.3
98.48061	0.1
104.20782	0.1
105.84477	0.1
106.98133	0.2
134.97574	0.2
152.98698	0.2
154.38475	0.1
194.01981	0.1
223.13625	0.1
225.00787	0.4
340.52521	0.1
674.74451	0.1
784.42188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.01398	0.5
78.98618	0.4
79.95737	0.6
80.96520	3.5
81.19324	0.2
82.95425	0.4
85.00460	0.9
89.01518	0.2
94.98097	0.6
98.21832	0.8
101.63344	0.3
103.47523	0.3
119.13338	0.3
148.99231	0.3
152.98671	0.3
164.98724	0.5
192.48930	0.2
209.11852	0.7
225.00815	1.0
231.07713	0.2
237.46939	0.3
293.73944	0.3
379.09998	0.3
453.90912	0.3
602.66791	0.3
616.03119	0.3
784.42078	2.9
785.39630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.085
Annotation	Nobotanin D
Peak:m/z	Relative Intensity
59.01390	0.8
63.50039	0.5
67.72681	0.4
69.36833	1.9
71.01385	0.9
81.03478	0.4
84.00703	0.6
85.02959	0.8
85.84251	0.5
93.58942	0.5
95.01410	1.7
100.35686	0.5
107.01395	2.6
107.54121	0.4
112.71461	0.4
113.02446	1.1
117.03495	0.6
119.72136	0.6
123.00871	5.3
124.01698	2.6
124.02520	0.6
125.02454	15.7
129.03423	0.5
131.04974	0.6
133.02979	1.1
137.02419	0.7
145.02963	2.1
147.04549	1.8
151.00453	0.8
151.04053	0.5
157.02992	0.8
159.04565	2.1
161.02481	0.8
163.04030	1.6
166.99887	0.5
169.01430	10.6
173.02463	2.8
175.03969	3.4
177.01938	1.9
185.02464	3.8
187.04109	0.9
189.02005	0.9
191.03549	2.1
193.01357	0.8
198.97102	0.6
200.01091	0.7
201.01917	4.3
203.03531	9.6
213.01918	1.6
217.01544	0.7
219.02951	1.5
221.04482	0.7
229.01411	11.9
230.01997	1.3
231.02969	8.8
232.03404	0.6
245.00952	2.3
247.02470	1.9
248.03152	1.0
249.04044	20.1
250.04388	0.7
257.00955	9.0
258.01727	2.5
273.00455	1.4
274.01147	1.1
275.01984	36.2
276.02338	1.6
283.99689	3.1
293.02994	0.7
299.99100	2.7
300.99911	100.0
302.00278	5.5
304.88239	0.6
313.05679	1.8
331.06644	0.7
335.94177	0.6
419.06091	3.7
437.07043	0.6
463.05096	1.8
483.07834	5.0
615.06293	2.2
633.07764	2.4
785.08459	27.2
786.08850	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	785.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62480	0.6
70.29392	1.6
71.01396	0.6
78.28800	0.6
85.02982	1.1
95.01401	1.8
98.22552	0.7
107.01410	1.8
113.02512	1.7
123.00886	4.4
124.01698	2.0
125.02459	15.4
125.03318	1.0
126.02743	0.7
145.02960	1.5
147.04544	1.8
157.02911	0.8
159.04532	1.7
161.02379	0.8
163.04007	1.1
165.02023	0.7
169.01454	12.2
173.02454	1.7
175.04056	3.2
177.01959	0.7
185.02429	4.4
185.86081	0.6
187.04056	1.5
189.01968	0.8
190.02763	1.0
191.03549	2.0
193.01505	0.8
197.36902	0.6
201.01895	3.8
203.03523	8.3
207.61372	0.7
213.01973	1.4
217.01425	1.8
218.02371	0.6
219.02959	0.8
226.99918	1.1
229.01454	10.4
230.02200	0.8
231.03024	8.5
233.91759	0.6
245.00920	2.0
247.02614	1.1
248.03140	0.7
249.04030	20.4
253.89293	0.8
257.00919	7.7
258.01718	3.9
273.00378	1.1
274.01273	1.0
275.01996	31.3
276.02374	1.2
283.99576	3.2
293.03119	0.7
297.79877	0.7
299.99139	3.1
300.99918	100.0
302.00314	3.9
313.05597	2.1
331.06631	1.0
419.06210	3.0
463.05432	0.8
470.72855	0.6
483.07877	7.2
615.06354	1.1
633.06915	3.1
634.25226	0.6
785.08423	24.1
786.08966	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	785.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20827	0.4
69.14879	0.6
69.15281	1.7
81.66186	0.4
84.70876	0.4
94.96263	0.4
95.01435	1.0
97.02985	0.5
100.78679	0.4
101.02467	0.4
102.04388	0.4
107.01424	1.8
111.00858	0.5
117.03452	0.4
119.05020	0.4
123.00906	2.8
124.01697	2.1
125.02469	14.4
129.03435	0.6
130.75186	0.4
131.41724	0.4
137.02568	0.5
145.02985	1.8
147.04520	2.2
151.00381	0.8
153.77922	0.4
157.02963	1.3
159.04523	2.3
161.02472	0.6
163.03998	1.8
167.00035	0.4
168.00729	1.3
169.01450	14.4
173.02438	3.1
175.04013	2.9
177.02025	0.9
185.02481	3.7
187.04089	0.6
189.02007	1.0
190.02795	0.7
191.03531	2.4
192.89824	0.4
193.01506	0.6
201.01958	4.6
203.03520	6.5
204.03813	0.7
205.01419	0.5
210.41687	0.4
211.02478	2.0
213.01965	1.4
217.01378	0.9
218.95821	0.4
219.02994	1.6
224.67191	0.5
226.99898	0.6
228.00620	0.6
229.01437	13.4
230.02036	0.7
231.03018	5.2
245.00946	2.0
247.02521	1.3
249.04079	5.9
257.00949	11.1
258.01746	3.9
271.04590	1.2
274.01144	1.2
275.02011	43.2
276.02304	1.3
283.99667	2.5
299.99268	3.1
300.99927	100.0
302.00232	3.1
313.02557	0.5
313.05737	2.3
319.01089	0.9
423.05771	2.0
465.06406	1.9
483.07916	4.3
615.96082	0.5
633.07330	1.3
675.73175	0.4
785.08490	17.5
786.08545	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	785.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27287	0.6
61.30099	0.6
61.98832	1.0
69.37145	1.4
69.37549	1.8
75.24840	0.6
83.33995	0.6
108.90185	1.2
116.92846	1.3
120.02184	4.3
121.02970	100.0
122.03311	0.8
134.03748	0.8
165.01974	2.9
180.05887	0.8
181.05196	0.7
181.06635	2.8
191.03542	1.6
209.04565	68.5
210.04968	1.6
225.05646	2.5
288.82809	0.7
313.07275	4.4
357.06287	1.8
401.08838	11.6
555.14276	1.5
749.19434	1.0
785.17572	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	785.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88185	1.5
59.01394	25.5
61.98836	80.9
71.01388	18.7
71.31571	1.8
73.02946	7.6
78.91919	9.1
79.95737	2.1
80.05046	3.1
80.91689	2.2
80.96507	3.0
83.01391	2.4
85.00482	1.7
85.02946	5.8
87.00896	2.3
89.02439	6.6
94.98046	2.1
96.96021	18.6
99.00856	2.1
101.02446	8.5
106.06618	6.5
113.02446	5.9
114.63847	1.5
119.03532	2.1
122.06112	5.0
125.02440	3.0
132.04539	3.5
134.06136	37.7
144.04759	1.6
150.05574	2.3
152.07172	3.6
158.02420	2.5
160.04048	3.5
169.01376	4.1
171.10202	4.7
171.11632	2.2
190.05095	5.9
192.06581	2.8
209.11852	25.3
210.12198	6.2
213.10341	9.5
227.13005	2.3
239.11734	2.0
253.09372	2.0
265.09720	3.1
267.11353	6.8
275.01907	4.3
277.09576	1.7
285.12479	5.9
300.99939	11.0
302.00375	2.3
305.09198	4.5
316.14578	4.1
327.13507	4.0
328.11011	3.4
328.14590	2.0
337.11752	2.9
340.14587	14.6
341.11703	2.2
342.12268	2.7
356.14096	5.5
358.15460	6.1
366.12283	2.3
368.10141	3.7
370.15573	2.9
372.13574	2.6
382.11514	2.1
384.13397	10.9
391.03134	2.6
394.16064	2.2
396.13437	4.0
397.14587	2.4
398.15179	7.8
410.15457	3.9
412.16629	5.3
426.14270	3.9
438.14682	3.8
531.19983	2.5
541.74634	1.8
545.21564	2.2
573.21088	2.1
591.22552	4.1
592.22986	2.5
646.91357	1.9
685.29645	3.0
711.27209	2.6
712.27289	4.0
725.26978	2.4
753.27832	100.0
754.28162	10.9
785.30371	71.4
786.30780	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	785.389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.4
61.98835	100.0
72.22919	2.9
73.02977	3.9
78.95905	4.2
171.10275	4.0
193.51689	3.2
207.10281	6.7
209.11848	10.1
215.12888	6.0
223.13394	6.7
253.09241	4.2
289.18024	7.0
293.21298	4.1
307.19229	5.0
308.62311	3.8
341.23282	4.1
424.25354	3.8
601.16370	3.9
785.40015	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	785.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01380	15.5
61.98832	19.3
64.23721	0.9
67.46530	1.0
69.03460	5.7
71.01383	10.9
71.05033	2.5
73.02937	2.0
78.09646	1.0
78.91875	1.9
80.02668	1.0
81.03477	2.1
82.95405	2.0
83.05033	2.6
85.02957	3.5
87.00887	2.6
89.02445	4.7
95.01373	1.7
96.96022	15.5
97.02930	1.6
97.06570	2.0
98.22662	2.9
101.02461	5.7
106.08794	1.0
109.06589	2.8
113.02450	3.6
116.92860	1.2
123.08174	2.6
125.02411	4.5
125.09702	4.7
127.07672	2.5
133.06569	1.2
135.08182	1.5
138.84261	1.1
151.11282	2.6
153.09236	3.2
153.12837	1.9
161.04597	1.4
161.09724	2.8
163.11275	3.2
169.01407	4.7
171.10286	9.0
179.10786	8.4
185.11845	6.2
195.74367	1.1
197.11845	80.2
198.12303	2.6
207.10309	6.2
209.11864	31.1
210.12134	1.4
211.13304	1.4
211.81090	1.1
223.09618	1.6
225.11360	8.9
226.11426	1.5
235.08147	1.9
241.10880	3.5
245.19185	1.4
249.03966	1.3
253.09378	6.6
256.50778	1.2
275.01947	3.3
279.19669	1.4
284.17838	1.1
289.18109	4.0
300.99951	5.9
305.17706	1.2
307.19217	11.5
318.94812	1.1
325.20282	2.3
325.64182	1.1
341.23267	3.6
390.52628	1.5
401.20087	1.3
461.20129	2.0
477.19870	2.7
543.28516	1.8
736.91577	1.3
767.38727	7.6
785.39740	100.0
786.39978	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	785.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03440	3.0
57.49770	0.9
59.01385	56.7
61.98852	1.8
66.61008	0.8
69.03455	2.1
69.21098	1.9
69.21507	3.2
71.01390	36.4
72.99313	1.0
73.02956	16.8
75.00873	2.5
82.21104	0.8
83.01372	3.2
83.05005	1.0
83.88437	0.8
84.59085	0.9
85.02961	16.2
86.00099	1.5
87.00877	3.8
88.98783	1.4
89.02452	33.9
95.01395	2.0
96.96008	1.4
97.02954	2.8
98.22669	1.2
99.00903	15.3
100.62915	0.9
101.02456	22.2
107.05008	2.2
107.13922	0.9
113.02466	10.4
115.04016	2.6
116.92870	5.5
117.01945	1.2
117.92870	1.7
118.92681	1.2
119.03503	6.2
121.03059	1.0
123.00901	1.9
124.01657	1.1
125.02458	7.3
125.06055	2.6
127.36845	0.9
131.03542	4.4
135.04465	1.2
141.01888	0.9
143.03506	2.3
145.05093	1.2
149.04567	2.5
154.65164	1.0
159.02950	1.8
161.04541	2.2
163.06133	1.7
166.99823	1.0
169.01439	4.7
191.05652	2.1
205.07118	1.3
275.01996	0.9
300.99820	2.8
301.06409	2.2
301.18060	5.5
302.00009	1.3
319.19083	3.1
322.77499	1.0
377.07144	1.7
382.19440	0.9
453.07556	5.1
455.31799	1.3
473.32794	2.9
477.20050	1.2
489.19073	1.6
491.33685	4.6
507.20178	1.5
519.20514	2.1
605.33368	3.5
635.38550	1.9
653.39117	5.1
767.42163	4.2
784.45941	2.0
785.43512	100.0
786.43744	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	785.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	17.9
59.01673	2.0
61.98832	3.5
69.03452	3.1
71.01390	9.5
71.05035	1.0
73.02959	2.0
80.02716	1.6
81.03468	5.0
83.01400	1.9
83.05016	5.9
84.02179	3.7
85.02956	3.6
87.00884	4.0
87.86295	1.0
89.02441	7.4
95.05044	1.7
96.96019	16.2
97.02956	9.5
97.06590	9.1
98.21794	2.6
99.00884	1.4
101.02447	6.8
106.04248	1.1
109.06599	35.5
110.03725	2.7
111.04565	1.9
113.02470	4.5
116.92871	4.1
119.03526	1.5
121.06601	3.4
123.04574	1.5
125.02466	2.0
125.09714	3.4
135.08171	5.5
136.05316	1.8
137.09686	1.2
151.11237	1.4
161.04587	2.2
161.09753	3.1
163.11299	20.2
165.12767	1.4
169.01422	2.0
169.12360	1.2
171.10283	18.4
179.10802	2.0
181.12355	5.0
185.11879	2.4
189.09203	2.2
193.12364	10.1
197.11905	3.5
199.09837	2.0
205.08461	1.1
207.10286	94.0
208.10690	2.5
209.11847	19.3
210.12099	1.4
211.13365	4.4
213.11212	1.6
223.09798	2.7
225.09138	2.1
225.11345	38.6
225.14870	14.6
226.11772	1.4
227.12880	1.8
235.08255	8.8
241.14551	2.2
243.12463	2.0
243.16064	7.2
253.09317	25.6
253.14403	1.3
257.00891	1.4
257.91254	1.4
289.18195	2.6
291.19754	2.5
299.15143	1.8
300.99780	3.4
305.20993	1.4
307.19110	1.7
323.22269	1.2
325.20224	2.2
341.23346	100.0
342.23737	4.6
391.02927	1.5
423.24652	1.1
443.19174	3.7
461.20340	12.2
466.20615	1.3
531.33191	3.5
537.04077	1.0
577.32416	3.5
767.41138	2.6
785.43396	33.1
786.43140	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14612	1.4
59.01382	21.0
61.14354	1.4
61.98816	6.0
63.49368	1.4
65.27746	1.6
69.03457	1.6
71.01381	9.6
73.02937	5.1
80.02679	2.1
81.03454	4.9
82.97850	2.0
83.01392	3.3
83.05014	5.9
83.39101	1.7
84.02171	2.0
85.02945	4.8
87.00890	3.2
88.51814	1.7
88.98820	1.6
89.02429	7.1
95.01398	2.1
96.96025	4.0
97.02948	6.6
97.06616	10.8
99.00893	2.2
100.29666	1.5
101.02459	9.5
106.04295	1.6
107.05025	2.7
109.06598	38.7
110.03745	3.6
111.00904	1.6
111.08205	2.3
111.38262	1.4
113.02442	5.9
115.33273	1.5
116.92857	4.5
121.06587	2.8
123.04530	3.3
125.09731	4.6
127.11257	1.8
128.90158	2.9
135.08154	4.3
137.06009	2.2
137.09727	2.4
139.07648	3.1
145.05078	1.9
153.50456	1.5
161.04582	3.7
163.11304	21.3
165.12834	2.8
167.07112	6.4
169.12425	3.5
171.10274	23.3
181.12325	4.0
189.09233	2.2
193.12355	11.6
197.11852	3.4
201.11336	3.0
206.50337	1.8
207.10265	94.8
208.10587	3.5
209.11824	32.5
209.15210	1.3
210.12111	1.9
211.13412	5.2
221.11874	2.1
221.15443	5.7
223.09821	1.7
225.11345	39.5
225.14897	20.1
227.12953	4.1
235.08195	10.5
243.15968	8.5
253.09271	23.7
279.19571	1.7
289.17929	2.6
291.19763	1.8
309.20636	1.9
341.23325	100.0
342.23740	3.9
443.19171	4.5
447.01913	1.6
461.20255	13.7
531.33136	5.0
577.32379	2.9
685.10199	1.8
767.42053	2.0
785.43304	46.0
786.43347	3.5
801.54517	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50225	0.1
59.01377	0.5
61.65789	0.2
61.98835	100.0
62.98534	0.2
67.21442	0.2
71.01392	0.5
71.41652	0.2
73.02935	0.3
78.91950	0.2
78.95897	0.2
79.95755	0.4
80.96548	0.2
83.43245	0.2
88.98814	0.2
89.02515	0.2
94.98107	0.7
96.96009	1.3
101.02440	0.3
107.01445	0.3
114.54774	0.2
123.00912	0.6
124.01662	0.3
125.02472	1.8
147.04350	0.1
168.00745	0.2
169.01472	1.7
209.11920	0.5
222.80173	0.2
229.01433	0.2
249.04153	0.2
273.00366	0.3
275.02032	0.3
285.46896	0.2
301.00046	0.6
416.83047	0.2
452.32529	0.2
483.18820	0.3
510.25632	0.2
635.20349	0.8
671.23907	0.4
743.45691	0.2
786.33868	0.4
787.21216	0.8
787.34229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
61.98837	100.0
68.39671	0.2
70.12461	0.2
70.12780	0.3
80.96513	0.9
82.96156	0.2
85.00455	1.0
87.53123	0.2
93.55493	0.2
94.76711	0.2
96.50115	0.2
98.22691	0.2
116.92900	0.2
163.45363	0.2
386.91397	0.2
721.20630	0.2
786.40948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.64530	1.1
71.43182	1.0
71.43667	1.1
73.63161	1.2
120.99090	1.3
124.03313	1.0
142.55174	1.2
162.87778	1.3
202.84418	1.1
354.45346	1.1
613.23169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.18475	0.1
70.72788	0.1
70.73117	0.1
80.96542	0.5
94.98129	0.1
107.66181	0.1
107.68195	0.1
181.36198	0.1
194.35094	0.1
225.00752	0.1
267.63535	0.1
277.21991	0.2
350.27487	0.1
787.39764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92211	0.2
59.01368	0.3
61.98836	100.0
78.95898	0.3
124.79607	0.2
179.68073	0.2
209.11954	0.9
229.86472	0.2
277.21683	0.4
388.23184	0.2
712.42822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1007
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
59.01396	2.1
62.07439	0.3
65.00328	0.5
67.01888	0.7
69.03459	2.2
71.01384	1.9
71.43269	0.4
73.02939	0.6
79.01926	0.7
81.03466	1.9
82.00638	0.5
83.01389	0.7
85.02962	1.3
87.00896	0.7
89.02444	0.5
95.01405	2.8
96.96019	3.5
97.02968	3.1
99.04430	0.4
101.02475	1.0
107.01404	8.0
109.02996	0.6
110.00113	0.4
111.00878	1.2
113.02463	0.6
119.03653	0.4
119.05049	0.4
121.02989	0.5
123.00899	9.6
124.01683	9.2
125.02460	83.3
126.02792	1.9
133.01492	0.7
134.03799	0.7
134.11819	0.4
136.98827	1.0
137.02487	1.2
139.00406	1.7
140.01157	1.9
141.01952	1.3
143.03499	1.0
145.02948	0.6
149.02487	0.6
151.00365	2.6
151.04005	0.4
153.01863	0.5
159.04538	0.4
161.02458	1.0
163.04047	0.5
165.01923	0.7
165.05586	0.6
166.02707	0.4
166.99873	2.8
167.03531	0.7
168.00661	6.2
169.01442	100.0
170.01765	1.3
177.01953	0.7
179.03609	0.7
181.01440	1.1
185.37521	0.5
189.48099	0.3
190.02760	0.4
191.03535	1.0
193.01410	3.5
193.05008	0.6
203.03461	0.7
205.01489	1.0
205.05055	0.7
211.02467	5.1
223.02492	1.2
233.04515	0.9
235.02539	0.9
241.03426	0.6
246.01625	0.4
249.04042	0.7
253.03510	0.6
261.04156	0.7
271.04663	2.4
274.01135	0.5
275.01981	0.8
276.02197	0.4
277.03549	1.4
279.05133	0.7
287.07626	0.5
295.04617	5.7
299.99088	0.4
300.99823	1.9
302.00323	0.5
303.00342	0.5
313.05710	7.9
321.02570	0.5
331.06705	1.8
387.13046	1.0
423.05612	1.0
439.08804	0.8
447.05731	2.0
465.06738	5.8
466.07593	0.4
477.10541	0.8
483.07764	3.2
591.10089	1.0
617.07971	11.3
618.08191	1.0
635.08972	18.1
636.09320	1.5
787.10059	35.7
788.10565	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	787.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.6
61.98837	3.8
67.01884	2.2
69.03448	3.3
69.45162	3.1
71.01391	4.1
73.02952	0.8
78.95881	0.7
78.98609	2.5
79.01901	2.3
79.95750	2.9
80.06206	0.7
80.96529	13.8
81.03461	1.2
85.02973	2.2
85.30314	0.7
87.00886	1.7
89.02493	1.3
94.80301	0.8
94.98098	3.0
95.01403	5.8
96.96020	2.7
97.02987	5.2
99.00874	1.5
101.02478	1.3
106.98196	0.8
107.01407	17.1
111.00887	3.2
113.02435	1.2
114.86810	0.9
123.00905	17.3
124.01692	11.4
125.02464	92.6
126.02859	1.7
127.00327	1.0
136.98824	1.6
139.00392	3.5
140.01131	2.9
141.01927	2.1
143.03525	1.2
147.04482	0.9
148.99213	1.3
149.02559	0.9
151.00374	3.2
151.03999	1.6
151.11621	0.8
151.91801	0.8
153.10010	0.7
157.76070	0.8
159.02997	1.0
164.98669	2.5
165.05623	1.3
166.99850	4.6
168.00676	8.5
169.01442	100.0
170.01814	2.5
175.04012	0.9
177.04070	2.4
177.05539	1.3
191.03462	1.2
193.01448	0.8
201.11324	0.9
205.01410	1.3
205.05066	0.8
209.11787	1.5
211.02454	2.0
225.00798	4.1
249.04076	2.5
300.99832	1.6
311.04126	4.0
329.05066	2.4
365.38278	0.8
447.16708	1.8
465.17825	3.4
481.06403	1.8
483.18933	5.7
617.18732	15.4
618.19440	1.2
633.07184	4.3
635.19867	28.9
636.20288	1.4
743.31232	0.9
771.65558	0.9
787.21130	66.6
787.34576	16.6
788.21362	7.8
788.34564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.7
61.98833	22.8
67.01887	2.2
69.03445	3.7
69.79945	1.2
71.01390	8.7
71.46782	1.3
73.02936	2.8
78.91881	2.7
79.01893	2.1
79.95750	2.8
80.96516	8.7
81.03460	2.7
83.01395	1.9
85.02944	3.2
87.00858	4.8
89.02418	2.3
94.98068	2.4
95.01395	7.5
96.96017	25.6
97.02940	4.6
101.02453	3.7
107.01403	18.7
108.02217	1.3
111.00903	3.7
113.02451	1.8
119.05095	1.2
121.02898	1.7
123.00900	23.2
124.01675	14.5
125.02457	97.8
126.02770	1.7
129.90897	1.2
130.99873	2.0
134.03812	1.3
135.04536	4.3
136.01627	5.9
136.04834	1.8
136.98749	1.6
139.00356	4.1
140.01144	5.3
141.01935	2.5
149.28125	1.1
150.03186	1.1
151.00348	4.3
151.03983	6.6
163.03984	2.2
166.02654	4.3
166.99899	5.8
168.00682	10.0
169.01443	100.0
170.01715	2.3
175.04018	1.6
177.04062	3.0
179.03471	1.8
181.04999	4.1
189.02101	1.4
191.03592	1.3
193.04987	1.2
196.88898	1.4
209.11836	2.5
211.02463	2.7
225.00803	1.9
249.04112	2.0
254.04016	1.7
259.86804	1.2
275.02023	2.5
301.00031	5.7
301.99954	1.4
329.05161	1.9
351.10785	3.3
357.13538	1.8
387.14404	8.9
387.73868	1.2
388.98312	1.4
447.16928	1.6
449.17822	1.2
465.17484	3.9
483.18848	6.0
512.44977	1.3
530.49091	1.2
573.36786	1.3
583.21539	3.2
617.18567	14.9
633.07135	2.0
635.19751	31.9
636.20636	1.7
641.42285	1.9
662.71198	1.3
743.46021	2.2
771.50726	1.4
787.20782	68.7
787.32965	3.9
787.47034	2.4
788.21582	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	787.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01386	14.3
61.98828	3.3
71.01386	5.6
72.66281	0.9
73.02953	7.6
83.01398	2.5
85.02956	2.6
88.98798	1.5
89.02460	2.5
93.03471	5.7
95.01387	1.8
96.96014	1.4
101.02443	6.7
109.02946	1.5
113.02450	3.0
121.02983	12.4
122.03764	16.8
123.00901	2.4
123.04531	2.4
124.01591	0.9
125.02435	3.0
127.59535	0.9
133.02979	2.5
135.04564	5.2
135.08156	1.0
136.01678	24.0
137.02466	4.3
139.04041	1.3
143.03493	1.1
145.02924	1.4
147.04504	1.6
149.01266	1.5
149.02455	27.6
149.06056	1.5
150.03242	100.0
151.00397	5.8
151.04033	32.4
151.05254	2.0
152.01193	1.3
153.09213	1.2
161.02440	1.0
161.04677	1.8
161.06004	1.5
162.03206	1.1
163.04021	3.5
164.04825	6.0
165.05589	97.4
166.02725	18.3
166.05899	1.6
167.03447	3.0
169.01456	3.8
175.04012	4.7
175.07649	1.8
176.04770	0.9
177.02016	0.9
177.05606	2.3
179.07098	1.2
180.04332	6.6
181.05077	24.6
187.09758	2.2
189.05579	3.9
190.06374	7.0
191.06865	1.0
195.06644	71.2
196.06898	2.1
201.32394	0.9
201.89690	0.8
205.08708	2.1
217.10767	4.6
221.08163	1.8
233.43552	1.1
275.02090	1.0
282.05380	1.6
297.07681	0.9
300.99857	1.8
315.08643	1.1
325.10440	1.0
326.11560	1.0
327.08609	1.2
329.10410	4.5
339.08655	2.1
340.09351	0.9
342.10941	2.2
356.12555	2.0
357.09686	5.7
357.13498	11.4
369.13297	4.6
372.12253	5.5
373.12894	3.0
385.13065	1.0
386.13742	2.0
387.14529	66.9
388.14816	2.9
505.18771	5.2
517.18829	1.7
535.19800	68.3
536.20544	4.5
553.20447	2.6
565.20538	2.5
583.21881	37.8
584.22076	2.8
635.19537	2.4
653.99677	0.9
722.28534	1.0
743.39166	2.7
787.44788	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01386	14.3
61.98828	3.3
71.01386	5.6
72.66281	0.9
73.02953	7.6
83.01398	2.5
85.02956	2.6
88.98798	1.5
89.02460	2.5
93.03471	5.7
95.01387	1.8
96.96014	1.4
101.02443	6.7
109.02946	1.5
113.02450	3.0
121.02983	12.4
122.03764	16.8
123.00901	2.4
123.04531	2.4
124.01591	0.9
125.02435	3.0
127.59535	0.9
133.02979	2.5
135.04564	5.2
135.08156	1.0
136.01678	24.0
137.02466	4.3
139.04041	1.3
143.03493	1.1
145.02924	1.4
147.04504	1.6
149.01266	1.5
149.02455	27.6
149.06056	1.5
150.03242	100.0
151.00397	5.8
151.04033	32.4
151.05254	2.0
152.01193	1.3
153.09213	1.2
161.02440	1.0
161.04677	1.8
161.06004	1.5
162.03206	1.1
163.04021	3.5
164.04825	6.0
165.05589	97.4
166.02725	18.3
166.05899	1.6
167.03447	3.0
169.01456	3.8
175.04012	4.7
175.07649	1.8
176.04770	0.9
177.02016	0.9
177.05606	2.3
179.07098	1.2
180.04332	6.6
181.05077	24.6
187.09758	2.2
189.05579	3.9
190.06374	7.0
191.06865	1.0
195.06644	71.2
196.06898	2.1
201.32394	0.9
201.89690	0.8
205.08708	2.1
217.10767	4.6
221.08163	1.8
233.43552	1.1
275.02090	1.0
282.05380	1.6
297.07681	0.9
300.99857	1.8
315.08643	1.1
325.10440	1.0
326.11560	1.0
327.08609	1.2
329.10410	4.5
339.08655	2.1
340.09351	0.9
342.10941	2.2
356.12555	2.0
357.09686	5.7
357.13498	11.4
369.13297	4.6
372.12253	5.5
373.12894	3.0
385.13065	1.0
386.13742	2.0
387.14529	66.9
388.14816	2.9
505.18771	5.2
517.18829	1.7
535.19800	68.3
536.20544	4.5
553.20447	2.6
565.20538	2.5
583.21881	37.8
584.22076	2.8
635.19537	2.4
653.99677	0.9
722.28534	1.0
743.39166	2.7
787.44788	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
59.01383	49.4
69.09763	3.7
71.01385	18.5
73.02954	1.2
83.01391	5.8
85.02946	4.1
88.48871	0.8
89.02451	14.4
93.03440	2.2
95.01373	1.9
99.00934	1.2
99.04524	1.5
101.02448	10.3
107.05047	1.3
113.02449	7.3
119.03502	4.5
121.02991	1.6
122.03767	6.6
123.00932	1.1
123.04539	2.4
125.02442	2.4
135.04523	1.2
137.02443	2.8
149.02438	1.1
150.03235	52.7
151.04013	8.1
161.04539	1.6
161.13376	3.3
165.05580	100.0
165.62990	0.9
166.05933	2.1
169.01398	3.1
169.10306	1.0
179.05602	1.7
187.11314	15.0
205.12300	4.3
213.07664	11.5
213.09326	1.1
228.90775	0.9
229.12292	2.7
231.10274	2.6
249.11345	4.1
273.11334	1.0
281.06726	1.2
291.12512	1.1
311.25153	0.9
315.12549	1.7
333.13416	1.2
349.16647	2.2
393.15427	6.5
446.10370	1.0
567.43842	0.9
607.23999	48.2
608.24139	4.4
613.85272	1.1
787.29773	17.4
787.41693	3.0
788.30695	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	787.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
59.01388	100.0
62.88118	1.2
69.18013	2.7
69.18404	5.3
71.01392	26.6
72.99320	1.9
73.02950	11.9
83.01393	9.2
85.02937	7.4
87.00861	2.5
89.02444	16.8
95.01458	3.1
96.96008	1.4
97.02976	1.4
98.21822	1.5
99.04571	1.9
101.02454	16.4
107.05043	3.1
113.02457	11.7
119.03476	6.8
119.05045	1.8
121.02992	2.2
122.03714	6.6
123.00825	1.9
123.04587	1.8
125.02490	6.2
131.03517	3.4
135.04530	2.5
139.00400	1.3
143.03523	1.6
149.04610	2.1
149.06036	1.3
150.03249	48.5
151.03938	2.7
161.04578	4.9
161.13365	3.3
165.05591	87.7
169.01425	4.7
174.42033	1.1
177.01886	1.4
179.05591	2.8
187.11320	11.2
190.90024	1.4
195.06697	1.5
205.07184	1.4
205.12350	4.9
213.07687	10.9
229.12395	1.9
230.14420	1.2
231.10298	2.8
247.13376	1.6
249.11353	4.2
273.11499	2.3
284.31708	1.6
297.11130	1.6
300.99765	2.5
303.00418	1.3
315.12314	2.3
331.17703	1.4
349.16467	2.2
351.10803	1.9
373.18658	2.7
393.15472	5.2
426.50766	1.3
479.51715	1.4
607.24036	50.0
607.33929	2.4
608.24023	4.8
710.04950	1.7
787.30090	18.6
787.41791	1.6
788.30206	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.5
59.01387	25.6
60.93954	5.2
61.98835	100.0
69.12214	33.3
71.01382	38.1
73.02947	5.9
73.43209	4.6
78.95901	13.6
81.03465	6.8
83.05015	5.2
83.70112	4.7
89.02431	5.3
96.32409	4.3
96.96017	5.0
97.06612	5.0
101.02478	7.1
109.06598	20.5
113.02451	10.2
116.41147	4.2
125.09811	6.2
138.35625	4.6
152.99536	8.3
154.89053	4.8
161.04523	4.5
163.11319	15.1
171.10245	25.9
191.14491	5.2
197.11824	10.9
201.11311	8.2
207.10277	61.7
209.11850	93.3
225.11317	46.0
227.12766	6.8
235.08362	5.4
253.09203	24.9
275.20093	7.8
289.18164	18.4
291.19632	51.1
293.21280	43.9
307.19089	22.1
309.20663	10.7
325.23816	5.9
340.38483	6.0
373.75500	5.3
436.26065	5.0
443.19229	6.6
461.20282	10.2
733.37708	10.6
751.39508	26.8
787.37439	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	787.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79988	9.5
58.15747	9.4
59.01379	20.7
61.98832	100.0
66.36240	9.4
69.19386	46.7
69.31219	8.7
71.01391	31.5
71.07423	8.9
78.95913	25.0
80.96515	10.2
96.96054	10.7
101.02424	15.2
113.09776	10.0
136.52084	9.7
168.57965	10.1
171.10330	26.6
197.11855	38.0
201.39447	9.2
209.11856	30.8
215.68575	9.7
223.13469	63.1
253.09340	25.9
283.81165	10.0
291.19708	18.9
293.21292	49.6
309.20743	63.4
328.10202	10.9
453.80637	11.1
487.62708	10.7
545.29742	12.2
751.43170	28.3
787.40582	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	787.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89164	1.7
57.03445	3.3
59.01382	19.2
61.98835	19.0
69.03451	3.5
71.01386	100.0
72.99317	2.8
73.02948	6.0
75.00869	4.1
81.03464	3.0
83.01388	2.8
83.05016	5.5
85.02955	5.1
87.00885	46.8
89.02444	5.0
95.05088	2.6
97.02953	7.0
97.06584	6.0
97.07922	2.1
98.21860	3.3
99.00894	3.9
101.02451	7.2
107.05020	1.9
108.11136	1.7
109.06595	5.8
110.03748	1.9
111.04510	5.8
113.02470	4.2
121.26785	1.6
123.04524	2.1
123.08080	2.4
125.09690	10.9
127.11298	2.2
137.09711	3.1
145.91631	1.7
151.11240	2.1
157.68813	1.8
161.04504	2.9
161.09749	4.2
163.11357	8.8
165.09102	2.2
165.12885	3.0
167.10767	2.4
171.10272	42.7
177.09180	3.4
179.10782	6.0
181.12344	4.3
185.11871	12.5
187.09727	2.8
191.14441	2.7
197.11861	8.2
199.09776	4.2
199.13391	3.9
201.11346	23.4
205.08678	7.2
207.10281	15.4
209.11835	24.8
211.13394	4.3
213.11284	4.1
215.12854	7.0
223.09798	17.5
225.11334	21.2
227.12863	6.1
235.08200	4.5
245.19122	5.0
253.09319	14.2
289.18094	14.1
291.19647	24.4
292.19742	2.3
295.22748	3.0
307.19217	11.4
309.20706	25.4
341.23297	2.6
458.10794	2.0
461.20001	3.6
539.41223	2.1
607.21210	1.9
730.43182	3.2
742.73749	2.0
751.39795	3.0
769.40295	3.0
787.42712	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
59.01380	7.2
61.98839	3.9
69.03459	0.6
70.91917	0.7
71.01378	8.1
73.02956	1.8
79.95744	0.7
80.02698	1.3
80.91679	0.8
81.03469	1.9
83.01402	0.7
83.05029	5.1
84.02168	3.3
85.02541	0.6
85.02956	2.9
87.00868	2.6
89.02463	3.2
95.01399	0.7
95.05035	2.6
96.96022	18.3
97.02977	1.9
97.06592	3.3
99.00857	1.3
99.04543	0.8
99.92588	8.7
101.02460	3.9
103.01476	0.6
107.69968	0.5
109.06600	1.6
111.08161	1.0
113.02465	2.1
114.93414	0.7
116.92872	71.5
117.01958	0.6
117.92870	3.2
119.03527	0.8
121.06571	0.5
123.08170	1.0
125.06115	2.6
125.09751	3.0
127.11299	1.4
128.36472	0.6
135.08159	1.1
137.09714	0.7
137.30023	0.6
139.07663	2.2
141.09256	1.4
143.03479	0.7
151.07661	1.0
153.09230	2.4
155.10809	0.7
156.93047	0.5
161.04575	2.4
161.09746	0.9
163.11296	5.1
165.12857	2.3
169.01431	1.1
169.08739	4.4
171.10284	23.1
177.51241	0.5
179.05623	0.9
181.12335	0.8
183.13965	1.2
185.11862	1.8
191.10818	1.6
193.12367	3.0
197.11906	2.2
199.09706	0.8
199.13483	1.1
201.11340	19.3
207.10274	3.0
209.11848	100.0
210.12225	1.7
211.13344	1.4
215.12810	0.6
221.11871	0.6
223.09761	1.4
225.11368	6.2
225.14981	3.7
226.11743	1.0
227.12938	12.1
235.08275	6.7
243.16002	1.6
253.09302	14.8
287.16528	1.0
289.18021	1.4
291.19504	0.9
300.99915	1.2
305.17572	3.9
307.19150	3.3
307.56113	0.6
309.20639	0.7
322.74521	0.5
323.18661	0.7
323.22165	0.7
325.20456	3.3
327.21716	2.6
341.23343	37.0
342.23615	0.9
367.55820	0.7
445.20547	1.4
461.20349	1.2
533.34753	0.8
541.26685	1.4
710.58319	0.6
751.39722	0.8
769.41101	1.5
787.41724	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95597	1.4
57.03453	1.9
59.01386	16.1
61.98838	34.4
63.99229	1.2
69.03471	6.4
71.01389	12.8
71.05018	2.4
73.02934	1.9
78.91885	1.7
80.91691	4.3
81.03487	1.9
82.95425	28.3
83.01403	1.7
83.05040	3.2
84.02184	1.4
85.02949	5.6
87.00908	2.9
89.02464	6.7
95.05053	1.9
96.95397	1.4
96.96024	23.7
97.02976	2.2
97.06602	4.2
101.02467	7.9
113.02452	4.3
114.93404	5.0
115.32449	1.2
116.92865	4.8
119.03502	1.3
121.03014	1.5
123.00888	2.2
123.08183	1.8
125.02449	4.6
125.09726	4.4
137.09735	2.7
151.11284	4.2
153.12849	2.0
161.09734	3.3
163.11276	4.2
167.14386	1.6
169.01439	5.5
171.08948	2.4
171.10294	25.6
179.10765	7.4
183.13940	2.5
185.11867	2.5
190.86902	1.5
197.11845	74.3
198.12241	2.5
201.11311	6.4
207.10246	4.6
209.11855	36.8
210.12248	1.5
211.13467	10.7
212.13718	1.5
221.11850	2.0
225.11307	6.7
227.12875	4.9
229.14430	6.0
235.08138	1.8
239.12918	2.2
241.10849	4.2
253.09311	9.1
273.17160	3.6
275.01978	3.8
282.97729	1.4
291.19666	1.6
300.99899	3.9
304.98984	1.4
305.17609	3.0
325.20407	1.7
327.21689	13.1
341.23309	6.1
360.32990	1.4
424.03152	1.4
619.35541	1.5
639.69507	1.6
787.41321	100.0
788.41797	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	787.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.0
60.99317	4.7
61.98831	82.6
63.69041	4.5
71.01393	56.7
78.95908	13.3
80.96526	5.1
83.05032	7.8
87.00887	8.8
88.98808	12.0
89.02446	9.6
99.00909	5.6
101.02436	7.7
103.01469	5.6
109.06611	11.3
125.09737	5.5
130.46489	4.5
163.11288	15.6
164.06224	4.6
165.12749	6.3
171.10275	29.2
185.11835	12.4
197.11926	7.1
199.13367	6.7
201.11397	14.9
207.10249	29.2
209.11867	100.0
210.12073	7.6
221.45987	4.9
225.11330	24.2
227.12914	19.0
235.08301	9.7
253.09328	21.9
290.90109	4.7
291.16895	4.8
291.19672	27.5
293.21252	46.1
305.17749	12.4
307.19064	6.6
461.20657	10.8
526.23029	5.0
688.98505	6.0
733.37714	5.5
751.39160	8.7
787.45013	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	787.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
59.01384	7.0
61.98827	0.9
63.99311	0.5
69.03462	1.1
71.01386	4.7
73.02946	0.7
79.95741	0.6
80.02669	1.2
81.03445	1.7
83.05035	5.5
84.02175	2.2
85.02966	1.1
87.00886	1.3
89.02453	2.8
95.01414	0.5
95.05020	1.0
96.96017	11.4
97.06601	5.7
101.02455	3.8
103.19590	0.6
109.06611	0.5
113.02422	1.6
116.92896	3.2
125.09679	1.5
132.57776	0.6
135.08147	1.4
137.09767	0.9
161.04604	1.7
163.11351	3.3
165.12830	3.0
169.01395	0.7
171.10292	8.9
179.05498	0.7
181.12320	0.9
191.10838	0.8
193.12334	7.9
197.11824	0.9
201.11322	1.2
207.10216	0.8
209.11848	100.0
210.12196	4.6
211.13445	1.9
221.11925	0.7
225.11435	1.1
225.14993	10.7
226.15295	0.8
227.12927	12.6
235.08276	4.7
243.16000	5.0
253.09315	15.2
253.14662	0.6
289.18222	0.6
291.19727	2.1
309.20792	0.7
323.22357	1.4
325.20175	1.6
327.21805	0.6
341.23349	80.4
342.23749	4.4
445.20840	1.2
533.34747	3.0
551.36194	0.8
577.32513	1.8
787.42706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03453	0.6
58.49562	0.3
59.01382	5.5
61.98815	1.3
67.91091	0.3
69.03463	0.7
71.01383	4.6
71.05002	0.4
73.02943	1.4
80.02680	0.7
81.03457	1.3
83.01398	0.7
83.05031	5.0
83.45287	0.4
84.02175	2.3
85.02951	1.8
87.00874	1.4
89.02447	2.8
95.01389	0.7
95.05028	1.2
96.96006	1.7
97.02934	0.8
97.06598	4.5
97.90084	0.3
99.00834	0.4
99.04508	0.5
101.02453	4.1
105.76547	0.3
109.06574	0.6
110.03728	0.3
113.02443	1.9
116.92869	2.1
119.03539	0.7
125.02466	0.6
125.06106	1.2
125.09724	1.5
127.11304	0.7
135.08163	1.1
137.09706	0.9
139.07623	0.8
145.05090	0.5
152.21207	0.3
153.09258	0.6
155.10825	0.5
157.64474	0.3
161.04536	1.6
161.09552	0.4
163.11301	4.2
165.12898	3.0
169.08678	0.3
171.10275	11.0
172.10574	0.3
175.11247	0.3
179.05620	0.6
181.12320	1.0
183.13899	0.4
185.11867	1.0
191.10786	1.3
193.12352	5.8
197.11862	0.6
201.11343	8.9
202.11690	0.4
207.10263	1.5
209.11839	100.0
210.12166	4.2
211.13426	1.8
223.09853	0.5
225.11595	1.5
225.14955	7.6
226.15175	0.3
227.12900	10.8
227.29135	0.3
228.81854	0.4
235.08232	5.3
243.16005	3.2
253.09305	15.0
264.67136	0.4
289.18152	0.4
291.19614	0.4
305.17642	1.6
305.21051	0.7
307.19180	1.1
323.22385	1.0
325.20178	1.3
327.21793	1.0
341.23334	54.1
342.23706	4.0
437.20059	0.4
445.20837	1.2
533.34973	1.3
533.73212	0.4
541.26898	0.5
562.04883	0.4
577.32513	1.0
751.40118	0.4
769.40601	0.4
787.41547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87784	0.3
61.98837	100.0
67.77435	0.4
70.06792	0.8
80.96532	2.5
88.98831	1.3
113.58430	0.4
114.18918	0.4
153.73003	0.4
173.88811	0.4
181.15146	0.4
284.10858	0.4
316.58215	0.5
317.52020	0.4
359.04987	0.4
370.39609	0.4
383.21841	0.4
455.35599	0.6
472.40982	0.4
681.37610	0.4
789.41241	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	789.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.6
67.01888	0.6
69.03485	0.7
70.65076	0.5
71.01413	2.6
72.99335	2.2
73.02965	0.8
79.01889	0.6
79.63554	0.5
83.01359	0.6
85.02950	1.4
89.02457	1.9
95.01402	1.7
97.02957	0.9
97.10030	0.5
99.00875	0.5
101.02446	2.3
107.01409	3.3
111.00894	1.4
113.02470	1.0
119.05024	1.9
123.00900	9.9
124.01685	5.0
125.02470	12.7
136.07713	0.8
139.00383	1.4
140.01161	1.4
141.01959	1.7
147.04541	32.5
151.00389	7.7
153.09239	0.6
153.46332	0.5
160.43346	0.5
163.03981	0.7
165.05580	28.2
168.00687	4.1
168.99974	0.9
169.01443	18.4
173.92313	0.5
173.93936	0.5
183.10248	1.7
201.11276	2.1
205.12347	1.1
207.06638	17.1
208.06990	0.6
211.02492	4.9
243.12408	1.9
247.08119	0.6
271.04691	4.3
275.02066	0.6
275.76361	0.5
298.70517	0.5
300.99942	2.5
313.05652	1.7
344.82169	0.5
467.53772	1.2
468.04395	0.7
501.19437	2.9
537.19830	100.0
538.20056	4.5
789.42877	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75451	0.1
59.01383	0.8
59.17132	0.1
61.98842	0.9
66.95898	0.2
71.01374	0.6
73.02959	1.1
75.00869	1.0
82.95421	4.0
83.05045	0.2
84.95140	0.5
85.00439	0.9
89.02454	0.2
90.22765	0.1
96.96025	1.3
99.00886	0.9
99.92593	11.5
100.92611	0.2
101.02440	0.2
114.93439	0.6
116.92872	100.0
116.97243	0.5
117.01955	2.2
117.92879	2.0
125.02462	0.3
125.09663	0.2
160.94270	0.2
161.04536	0.2
163.11285	0.2
169.01395	0.2
170.34457	0.1
171.10252	0.8
181.12375	0.2
197.11824	0.4
201.11328	0.4
203.62683	0.2
207.10294	0.5
209.11844	1.9
210.12242	0.4
211.08299	0.2
211.13437	0.3
225.11356	0.6
227.12906	0.5
235.08305	0.2
253.09323	0.6
275.02069	0.2
300.99936	0.2
327.21729	0.6
341.23407	0.2
342.23599	0.2
446.28000	0.2
461.19937	0.2
535.70172	0.2
689.34119	0.3
721.36218	0.2
754.73737	0.2
788.41998	0.3
789.42499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03461	0.7
57.78687	0.5
59.01386	100.0
61.98824	4.0
62.83103	0.6
69.03465	2.0
71.01390	29.8
71.41719	1.0
72.99324	1.6
73.02956	75.7
75.00888	0.8
81.03471	0.7
83.01396	17.2
85.02954	6.3
87.00903	1.4
89.02455	9.3
93.03474	2.1
95.01385	2.8
96.96027	1.6
97.02996	0.6
99.00895	0.7
99.04490	0.7
101.02455	51.5
113.02472	19.6
113.03259	1.1
119.03505	4.3
121.02983	3.6
121.46073	0.5
121.91251	0.7
122.03745	7.7
123.04578	0.7
124.01660	0.6
125.02451	4.0
131.03522	4.4
132.02173	0.7
133.02896	1.0
135.04532	0.8
136.01689	1.1
137.02464	0.6
143.03528	4.6
149.02473	13.6
149.04512	5.1
150.03246	44.7
151.03603	1.4
155.03493	1.3
160.01624	1.6
161.02444	0.7
161.04565	12.7
164.04738	2.1
165.05591	36.0
166.05933	0.7
169.01314	0.7
175.95486	0.6
177.01736	0.7
179.05608	0.6
180.04320	2.7
189.05443	0.6
195.06654	25.6
196.06958	1.1
203.05611	0.6
221.06635	0.9
229.01357	0.6
242.09436	1.6
247.37433	0.5
257.11813	1.0
267.64377	0.7
270.08801	1.9
275.02090	0.8
282.08789	0.8
285.11124	2.3
295.09616	0.9
298.08191	2.1
300.99768	1.7
310.08224	0.7
311.09235	1.2
313.10712	2.6
324.10034	1.0
325.10504	1.6
326.07916	1.2
326.11447	0.9
339.12289	0.7
341.10318	15.5
342.10629	1.4
356.08878	0.6
356.12674	7.6
357.13141	1.3
371.15042	30.6
372.15189	2.1
519.13171	0.9
519.20294	13.2
520.20416	0.8
533.19934	0.7
537.20154	0.9
567.21417	0.8
585.22607	0.8
616.93250	0.6
788.62006	0.7
789.28290	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	789.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03446	0.8
58.00590	0.8
59.01383	100.0
60.01726	0.8
61.98844	2.6
62.15577	0.5
69.03459	1.5
69.23057	3.4
71.01386	33.2
72.99311	0.9
73.02951	86.5
74.03268	0.9
75.00869	1.2
83.01395	19.8
85.02954	7.5
87.00875	1.4
88.98811	1.3
89.01938	0.8
89.02452	11.2
93.03461	1.8
95.01410	3.4
96.96010	2.4
97.02950	1.3
99.00874	1.2
101.02448	56.6
102.02789	0.7
108.02194	0.8
113.02455	22.4
119.03516	6.0
121.02970	4.6
122.03053	0.6
122.03758	7.1
125.02476	3.2
131.03505	3.7
132.02113	0.8
133.02945	0.7
135.04488	1.1
136.01593	1.0
143.03535	5.8
149.02460	14.9
149.04515	4.9
150.03235	42.8
151.03600	1.9
155.03468	1.4
160.01700	1.1
161.04564	13.0
164.04776	2.7
165.05585	37.2
166.05876	1.7
169.01349	1.1
179.05553	1.0
180.04289	3.1
195.06633	25.9
196.06898	1.0
203.05573	1.0
211.03990	0.6
215.09192	0.6
221.06572	2.0
233.77899	0.6
242.09325	1.6
270.08786	1.7
275.01654	0.6
285.11099	2.0
298.08139	1.8
300.99576	1.5
310.08179	0.8
311.08945	1.6
313.10590	1.5
323.08759	0.6
324.09738	0.9
325.10794	2.7
326.07657	2.1
326.11218	1.8
327.08270	0.6
340.12842	0.7
341.10312	16.1
342.10098	1.4
356.12708	7.8
357.12860	1.3
371.15002	29.3
372.15131	1.2
519.20282	12.3
520.19843	1.2
537.20154	1.1
585.22565	0.6
729.27100	0.9
789.28418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03442	2.3
59.01382	12.0
61.98830	1.6
65.64962	1.4
67.21441	1.1
69.56858	1.3
69.57188	4.7
71.01382	7.3
73.02953	1.9
78.58561	1.1
81.03465	6.2
82.95428	1.6
83.05038	11.0
83.65838	1.2
85.02968	2.2
89.02450	5.3
93.03460	1.5
95.01335	1.3
95.05054	3.5
96.95996	1.3
97.02953	17.6
97.06609	3.8
101.02442	8.1
105.76399	1.2
113.02431	3.6
123.08189	2.4
125.02460	1.6
125.09705	2.3
135.08142	2.1
161.04578	2.5
163.11293	8.1
165.12860	4.0
167.10663	1.3
171.10272	2.7
177.12920	1.3
179.14429	3.5
187.11397	1.5
191.10641	1.7
205.12361	4.1
209.11845	94.1
210.12178	4.1
223.13405	100.0
224.13776	3.6
225.11250	1.7
227.12924	6.7
249.11263	3.3
253.09349	6.7
267.12393	5.6
343.21750	1.3
467.11688	1.3
503.20926	2.3
549.58844	1.4
713.33929	74.6
714.34497	13.0
745.36621	16.9
746.37244	2.8
789.35547	46.5
790.36127	7.3
793.31494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.5
61.98833	28.1
63.74141	3.2
68.00986	3.0
71.01382	8.5
80.96550	5.3
83.05035	5.9
88.98795	11.1
89.02428	3.9
94.98036	4.3
96.95994	3.2
97.02930	3.9
99.92611	4.1
101.02419	6.7
106.92176	3.8
109.06613	8.1
113.02417	3.8
116.92835	10.7
129.08691	3.4
146.26305	3.4
163.11285	6.4
171.10283	11.8
174.15796	3.1
179.05522	4.9
185.11852	4.9
195.13734	3.3
197.11758	4.6
207.10295	24.1
209.11829	100.0
210.12079	4.6
211.13382	10.4
225.11351	9.1
227.12875	19.1
235.08176	8.6
245.19252	4.8
253.09387	22.0
289.18094	26.2
291.19604	10.7
305.17578	3.7
307.19083	33.0
309.20755	16.4
315.27167	4.0
352.10614	3.5
461.20370	4.5
518.36639	4.1
735.39508	8.4
753.40558	14.1
789.38000	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26194	2.8
59.01381	4.3
59.58591	3.1
59.74700	2.6
59.90018	2.9
61.98838	100.0
65.42911	2.8
66.67426	3.0
71.01385	6.4
78.60075	2.6
84.82767	3.3
88.41481	3.6
91.49173	3.5
98.22697	6.7
118.83694	3.0
124.65486	3.0
151.11230	5.6
167.13808	3.2
171.10321	4.2
200.41508	3.2
209.11842	54.3
211.13605	3.4
225.11279	7.8
227.12924	14.7
253.09390	7.3
307.19171	20.3
343.00076	3.6
445.20712	5.7
543.27936	11.6
735.39648	5.8
753.41058	3.9
789.38495	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	789.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.2
61.98830	6.4
62.24309	3.5
71.01382	9.2
71.06288	5.1
78.95893	3.7
89.02454	8.6
96.34888	4.2
101.02467	10.0
108.82700	3.6
109.06602	14.6
119.03521	4.0
139.87845	3.9
156.77354	4.3
161.04596	4.3
163.11314	7.7
171.10292	9.8
171.36722	4.3
179.10748	4.7
195.13882	6.6
197.11900	4.3
205.08755	16.9
207.10277	50.8
209.11780	5.3
223.09860	19.7
225.11369	32.6
226.11954	4.0
235.08257	8.1
253.09250	30.0
259.68332	4.7
291.19681	100.0
293.21310	45.0
461.20044	13.4
481.29630	7.5
527.29053	6.0
667.32642	4.7
703.31171	7.8
717.38812	7.3
735.39886	21.6
753.40796	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	789.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52254	1.7
59.01383	13.3
59.62291	1.7
61.98825	7.8
71.01389	35.4
73.02947	3.4
82.95433	9.8
83.05031	8.1
83.79647	1.8
84.95087	2.4
85.00453	3.5
85.02953	2.4
87.00884	5.0
89.02443	4.3
92.92834	1.7
96.96010	7.3
97.02965	3.2
99.00916	2.0
101.02447	6.1
109.06576	3.1
113.02448	4.5
114.93421	9.4
116.92857	8.7
123.69099	1.9
125.09715	4.1
127.11253	1.9
137.09669	2.3
151.11319	2.1
163.11299	5.4
165.12886	3.4
169.01361	1.9
171.10301	31.4
181.12277	3.6
185.11748	2.8
193.12425	2.1
197.11824	15.1
199.09879	3.6
199.13307	2.7
201.11320	19.1
207.10226	12.9
209.11841	100.0
210.12117	3.5
211.13477	10.3
225.11325	12.2
225.14981	3.2
227.12938	19.6
235.08247	5.8
247.20544	2.1
253.09341	18.2
254.09668	2.3
289.18143	27.7
291.19577	11.1
307.19131	11.7
309.20749	17.4
327.21674	3.2
342.23648	2.8
343.24857	14.2
445.21066	3.2
461.20102	4.4
543.27960	3.3
717.38544	3.4
735.39697	9.9
753.40912	10.6
789.39508	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	789.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74956	1.4
59.01384	11.9
61.62959	1.5
61.98834	5.3
65.68311	1.8
67.50209	1.8
69.03449	2.4
69.26385	2.9
69.26687	10.5
71.01386	12.2
73.02959	2.9
78.95938	2.0
80.02663	1.8
82.95438	4.3
83.05029	7.7
84.02162	1.7
85.02962	2.1
87.00895	2.4
88.98819	3.1
89.02457	6.4
96.96023	14.0
97.02940	1.8
97.06617	5.9
98.22719	3.8
101.02444	4.2
103.39877	1.6
113.02462	3.9
114.93419	4.2
116.92863	6.8
125.02399	2.5
135.08148	4.0
156.36685	1.5
163.11263	4.7
165.12967	2.3
171.10268	20.5
172.10654	2.9
187.95877	1.8
193.12358	7.0
194.12788	2.5
197.11868	8.9
201.11346	5.2
207.10265	2.3
209.11847	100.0
210.12190	39.6
211.12187	4.9
211.13484	5.7
225.11356	3.4
225.14929	7.2
226.15150	2.8
227.12892	15.1
228.13237	5.1
235.08241	4.5
236.08636	2.2
243.15996	3.2
244.16420	2.5
253.09340	19.0
254.09636	3.7
255.09747	3.0
289.18182	5.2
291.19736	2.4
300.99973	2.1
307.19199	7.8
309.20691	4.7
327.21707	6.7
341.23340	39.6
342.23721	35.8
343.23920	17.3
397.13193	2.5
735.39691	7.4
753.39917	2.2
771.41321	2.9
789.38446	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	789.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03452	2.3
58.00607	1.5
59.01380	17.9
61.27009	0.9
61.98834	6.3
69.03471	1.5
69.93570	1.1
69.93913	2.3
70.30267	1.0
71.01388	48.4
73.02959	5.3
80.02674	2.8
81.03482	2.5
82.95409	3.2
83.01393	2.3
83.05025	7.2
84.02180	1.8
84.95116	2.0
85.00436	3.4
85.02946	7.3
87.00879	3.5
89.02441	7.1
93.53163	1.0
95.01377	2.1
95.05029	5.0
96.22789	1.0
96.96014	11.7
97.02954	3.4
97.06584	3.7
99.00883	1.7
101.02445	8.8
103.01504	1.5
107.01425	1.1
109.06602	7.6
110.03758	2.2
111.00867	1.3
111.04520	1.4
112.98584	1.0
113.02475	6.0
116.92875	12.2
119.03503	2.5
120.16390	1.0
123.00892	1.1
123.08107	1.1
125.02457	3.9
125.09764	1.9
127.11317	2.9
130.99799	1.0
131.03593	1.1
135.08186	2.2
137.09724	1.8
139.07607	1.3
142.81779	1.0
143.03523	2.0
145.05052	2.4
151.11279	1.4
153.09154	1.2
155.10805	2.5
161.04602	5.0
161.09665	2.0
163.11310	12.7
165.12848	4.8
167.10750	1.2
169.01439	3.6
171.10281	70.6
172.10632	1.5
177.12895	1.2
179.05692	1.0
179.10814	1.6
181.12395	3.0
183.13943	3.3
185.11850	4.0
189.09236	2.3
191.10779	1.6
197.11842	4.4
199.09741	1.2
201.11360	22.6
207.10292	23.7
209.11844	100.0
210.12170	3.4
210.57384	1.0
211.13405	17.2
215.12856	2.7
221.11824	3.7
225.11340	45.7
226.11780	1.5
227.12906	9.7
229.14479	13.9
235.08229	12.9
239.12711	1.1
243.12390	3.7
253.09299	33.5
291.19763	5.4
295.10373	1.5
307.19193	2.1
309.20737	9.7
327.21790	92.6
328.22076	3.7
407.19131	1.6
461.20123	8.1
479.21341	1.4
499.30518	1.6
563.30743	2.8
771.41644	4.7
789.22211	1.7
789.42889	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	791.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
71.01378	0.3
73.02950	3.1
75.00871	1.3
81.03477	0.4
82.95452	0.1
83.01434	0.1
83.05032	0.1
85.00458	0.3
85.02975	0.1
89.02461	0.1
95.01404	0.2
95.80355	0.1
96.96011	0.2
97.02955	0.1
99.00891	1.5
99.92595	10.7
100.92602	0.4
100.93291	0.1
101.02441	0.1
113.02399	0.1
114.93417	0.4
116.03561	0.2
116.92874	100.0
117.01947	5.8
117.92883	3.4
125.02457	0.4
163.11282	0.2
169.01418	0.8
171.10294	0.4
191.45015	0.1
201.11348	0.8
207.10301	0.2
209.11853	3.3
210.12282	0.2
211.13441	0.2
227.12920	0.4
253.09341	0.6
256.61813	0.1
275.02005	0.1
285.08835	0.1
300.99963	0.2
327.21796	1.3
563.30896	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.8
58.00611	1.3
58.12180	1.3
59.01383	20.5
61.98834	9.1
69.03449	1.5
69.34354	6.0
71.01387	11.3
73.02934	4.5
73.03334	1.2
80.02692	1.3
81.03465	14.3
82.95420	14.7
83.05035	10.3
84.16503	1.6
84.95117	5.0
85.00437	3.9
85.02957	3.9
87.00871	3.1
88.98788	1.9
89.02446	7.5
95.05047	2.7
96.96023	9.8
97.02944	4.5
97.06617	7.0
98.95602	1.7
99.00851	1.9
101.02466	10.0
109.56498	1.2
113.02448	3.5
116.92875	9.7
119.03493	1.2
123.08175	2.7
124.43359	1.2
125.02451	4.6
125.09734	22.0
161.04527	4.1
163.11287	5.4
165.12837	3.3
169.01425	4.8
171.10300	13.8
179.05669	1.5
181.12372	1.7
181.15967	3.5
189.12877	4.7
197.11961	1.4
201.11377	2.6
207.10223	2.4
207.13924	5.2
209.11852	84.0
210.12167	3.6
223.13393	15.1
225.14975	100.0
226.15326	4.2
227.12956	6.1
251.12894	4.1
253.09233	4.9
269.13925	6.9
275.02011	3.0
300.99811	4.1
414.88385	1.3
505.22650	3.6
555.38190	2.0
657.31439	3.5
685.31354	2.3
701.30695	4.1
715.35565	52.0
716.35876	4.9
747.38416	2.4
759.35974	1.6
791.37140	99.4
792.37927	10.0
809.82965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.1
59.40702	2.8
61.98830	13.6
68.53024	2.7
69.77024	9.9
71.01379	4.4
71.79808	3.2
80.96487	3.1
99.92578	8.8
103.01505	5.6
105.01944	4.2
114.65798	3.2
116.92876	44.4
124.24159	3.2
125.02454	3.7
171.10274	13.4
209.11844	100.0
210.12163	8.8
211.13416	45.1
225.11258	3.7
227.12865	29.1
228.13167	3.2
235.08156	5.0
238.49677	2.8
253.09271	11.0
291.19684	56.4
309.20706	5.6
362.91864	3.3
407.18619	3.4
445.20514	4.8
447.22400	7.1
527.28687	13.2
609.16919	3.8
719.39764	6.4
741.53973	3.5
743.40381	3.4
791.40021	36.7
792.40015	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	791.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.1
59.40702	2.8
61.98830	13.6
68.53024	2.7
69.77024	9.9
71.01379	4.4
71.79808	3.2
80.96487	3.1
99.92578	8.8
103.01505	5.6
105.01944	4.2
114.65798	3.2
116.92876	44.4
124.24159	3.2
125.02454	3.7
171.10274	13.4
209.11844	100.0
210.12163	8.8
211.13416	45.1
225.11258	3.7
227.12865	29.1
228.13167	3.2
235.08156	5.0
238.49677	2.8
253.09271	11.0
291.19684	56.4
309.20706	5.6
362.91864	3.3
407.18619	3.4
445.20514	4.8
447.22400	7.1
527.28687	13.2
609.16919	3.8
719.39764	6.4
741.53973	3.5
743.40381	3.4
791.40021	36.7
792.40015	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	791.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.8
61.98833	24.0
69.04037	59.7
71.01392	36.0
72.34000	7.5
78.46367	7.7
78.58400	7.8
78.95923	8.8
96.96004	11.5
98.21873	12.4
101.02432	13.8
109.06577	14.6
113.02506	9.1
143.83647	7.5
145.92566	8.4
171.10283	45.8
181.12383	7.6
199.42081	8.0
207.10269	37.8
208.10614	8.0
209.11842	100.0
210.12152	8.6
211.13464	21.2
225.11272	55.1
227.12953	26.2
235.08278	9.4
253.09232	27.4
291.19684	72.7
292.19818	11.4
293.21124	35.7
461.02704	8.9
461.20108	21.6
692.35181	8.4
737.41742	9.2
791.38928	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	791.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10902	6.2
59.01381	17.0
59.19468	5.1
61.68756	5.5
61.98837	100.0
69.03024	5.4
70.63800	7.7
70.64117	7.1
71.01392	12.9
72.55783	5.2
74.83805	5.5
75.00893	6.6
76.75919	5.1
78.95933	5.7
89.02456	6.8
99.92612	9.9
101.02454	10.0
102.64892	6.1
113.02414	8.7
116.92858	95.0
121.36033	6.1
150.85915	5.9
163.11243	10.8
171.10239	30.7
181.12370	5.6
207.10268	41.7
209.11821	38.9
211.13397	11.3
223.13367	9.3
225.11327	84.5
227.12849	20.0
235.08182	10.3
253.09314	18.8
259.49969	6.2
289.17841	6.7
291.19785	32.0
293.21231	54.2
300.99960	6.9
307.19312	7.7
309.20816	12.0
443.19101	9.5
461.20303	20.2
653.99530	7.0
737.40833	46.1
755.42792	7.2
791.39459	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	21.7
61.32845	13.4
61.98832	21.7
68.11379	12.7
70.15880	16.3
75.59732	13.9
78.95890	39.5
94.64385	12.8
100.58134	16.2
108.38499	13.5
133.34833	13.1
152.99506	14.9
207.10316	40.2
209.11899	15.8
211.13445	55.8
223.10020	15.8
225.11246	38.7
227.43158	14.4
253.09378	47.1
277.21811	22.4
291.19833	29.9
293.21252	100.0
295.22794	33.5
309.24731	15.6
395.88174	14.3
463.20880	14.3
619.87939	15.0
791.42883	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06543	78.8
66.22533	70.4
67.94808	63.0
76.90099	65.7
90.31440	69.8
102.84791	74.6
143.42883	66.7
145.35669	67.5
168.33470	68.2
277.21741	100.0
282.75348	74.8
347.44012	71.4
389.78278	66.3
499.08032	75.5
684.81543	75.5
781.52191	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98534	0.1
91.40703	0.1
111.28281	0.1
116.14186	0.1
117.87959	0.1
134.03734	0.6
160.01691	0.2
175.04039	0.3
178.02736	0.2
193.05086	0.4
205.82220	0.1
386.17242	0.1
709.92297	0.1
715.69452	0.1
729.25732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93210	0.4
58.33231	0.5
59.01367	0.7
60.36181	0.4
64.49335	0.5
69.60464	1.9
71.01389	12.2
72.99310	2.1
85.02916	0.5
87.00881	0.6
89.02442	1.4
98.22578	0.8
99.00911	0.9
107.01405	2.2
113.02431	0.6
115.00383	33.2
117.03460	0.8
123.00884	2.3
123.04493	0.6
124.01688	2.8
125.01532	0.7
125.02449	13.8
125.03323	1.0
133.01445	100.0
134.01808	0.6
134.03737	1.7
135.04539	25.3
140.01218	1.1
145.01431	1.9
151.00392	1.9
153.01880	0.5
168.00670	2.4
168.04332	1.4
169.01443	21.9
169.05060	0.8
171.09972	0.5
177.01955	0.9
179.03508	21.0
180.03886	0.6
183.03009	3.0
183.06622	2.3
211.02625	0.5
241.03593	1.0
275.02063	0.6
295.04703	3.8
298.98114	0.8
300.99826	1.2
313.05679	7.2
327.07397	0.6
497.13251	37.1
498.13721	1.7
519.50073	0.7
711.23102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.1
60.99311	20.1
61.98830	5.6
69.06286	1.4
69.06689	2.8
75.00848	0.8
77.93501	0.7
79.88515	0.7
82.09776	0.6
84.95120	1.2
85.00436	1.7
87.00911	1.6
88.98814	100.0
89.02464	3.6
89.99142	0.8
95.01402	0.7
96.96034	1.3
99.92602	2.0
103.00406	3.6
103.01497	5.1
105.01935	0.9
116.92871	17.7
117.92883	1.3
125.02457	1.7
169.01414	2.0
209.11861	2.1
229.01326	0.7
275.01999	1.5
282.33716	0.7
283.15891	0.7
301.00031	3.2
353.11646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.60711	0.3
60.01717	0.5
71.01384	2.8
73.28551	0.3
75.00886	1.2
78.62396	0.3
85.00482	0.4
87.00924	0.5
88.98802	0.5
96.18977	0.3
98.22689	0.9
103.00416	27.2
103.01500	61.7
104.01878	0.5
116.92872	1.2
171.10303	1.1
201.11382	0.4
207.10260	1.3
209.11810	3.5
225.11366	0.8
227.12865	0.4
235.08167	0.4
253.09224	0.6
300.99805	0.4
377.00787	0.4
403.75754	0.4
642.83832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02289	1.2
58.91856	1.0
59.01381	5.6
61.98833	8.9
67.95717	0.9
69.13435	7.0
70.03961	0.9
71.01385	5.3
83.05063	1.5
87.00887	1.3
89.02438	3.5
98.21893	2.1
101.02462	2.6
102.10314	1.0
105.52340	1.1
109.06604	2.1
111.08145	1.2
113.02460	2.3
115.75694	1.0
116.92878	6.1
116.97288	1.4
161.04578	1.2
163.11278	4.3
171.10307	4.0
178.90221	0.9
181.12311	1.2
185.11844	2.4
195.13850	2.4
201.11322	1.9
207.10237	8.4
208.10483	1.2
209.11842	100.0
210.12170	14.8
211.12389	3.3
223.13400	2.7
225.11362	8.7
227.12895	20.5
228.13193	2.2
235.08272	3.0
253.09291	14.1
254.09692	1.8
275.01874	1.2
275.20218	3.2
289.18179	2.1
291.19669	40.0
292.20053	10.1
293.21188	12.3
298.29892	1.1
300.99936	1.9
359.68112	1.3
389.78720	1.2
390.52628	1.4
445.20670	1.9
461.20267	2.6
465.88596	1.2
486.79642	1.3
522.79730	1.3
707.32391	5.2
793.40485	5.3
794.40387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75839	1.8
59.01387	9.3
59.67347	1.8
59.97613	2.3
61.98837	3.8
62.14581	1.9
66.57977	2.3
67.35097	1.8
69.08112	12.0
71.01401	6.5
78.95920	2.5
79.45105	2.0
85.00426	5.1
89.02453	2.6
91.24977	2.0
98.21900	4.6
101.02453	2.5
105.43522	1.9
114.73306	2.3
150.40388	2.0
161.04575	2.3
171.10275	61.2
207.10306	8.4
225.11330	29.3
230.51114	2.5
235.08272	10.4
235.99101	2.2
253.09283	11.2
271.48962	2.5
277.21747	100.0
278.15652	2.2
278.22064	5.9
291.19769	2.7
390.52792	2.0
407.19308	2.7
423.89554	2.2
443.19174	3.5
461.20157	5.1
462.08896	2.1
465.14572	2.2
477.19760	2.0
513.30835	5.7
615.03345	2.3
654.55164	2.6
695.39941	3.6
721.41797	8.5
722.64648	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	793.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.8
61.98827	7.4
68.66228	2.2
69.04221	18.7
70.75843	2.3
71.01392	8.5
81.57976	2.3
85.00454	9.2
85.80542	2.5
90.91678	2.0
96.96025	2.7
101.02449	3.2
103.01511	3.4
109.06615	4.1
119.03514	2.7
132.67632	2.2
155.39076	2.0
155.40752	2.3
163.11314	3.8
171.10284	100.0
179.05702	4.1
180.01216	2.3
181.12299	2.8
185.11931	2.7
194.15848	2.5
195.14000	4.1
197.11760	4.6
199.09737	3.5
201.11363	5.6
205.12404	3.5
207.10307	9.8
209.11784	4.6
223.13440	22.0
224.13760	8.4
225.11345	39.3
235.08237	5.8
253.09351	16.1
277.18738	4.9
277.21762	82.7
278.22046	3.5
289.18152	8.5
290.18326	4.9
291.19867	4.1
307.19135	9.1
308.19614	6.2
308.82828	2.4
336.32288	2.4
365.07684	2.5
407.19086	6.8
443.19330	3.9
461.20273	19.8
513.30432	4.3
695.39032	3.5
721.41571	16.2
793.42297	3.2
825.42798	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	794.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01397	7.7
59.02649	0.8
61.98841	3.8
68.55122	0.7
69.03439	1.7
70.77315	0.8
70.90680	1.4
71.01389	4.5
71.05047	0.8
73.02948	1.1
77.50761	0.8
81.03484	0.9
85.02966	1.1
87.00875	1.3
89.02455	3.2
96.92574	0.8
101.02444	4.0
105.94996	0.8
106.76866	0.9
107.59007	0.8
109.06598	1.6
111.08147	6.3
113.02453	2.4
161.04550	1.9
167.10764	2.8
169.12358	3.0
179.10828	1.5
179.14432	2.8
195.13908	8.2
197.11848	36.8
198.12279	1.5
199.13422	1.9
205.12360	9.5
207.10229	1.5
209.11829	1.8
211.13327	5.2
217.61592	0.7
223.13411	100.0
224.13649	4.1
225.11272	1.9
227.12775	1.7
235.08247	6.0
253.09288	15.0
254.09552	1.1
263.20215	2.3
291.19720	15.8
293.21277	1.6
294.21783	0.8
304.67587	0.8
309.20734	53.6
310.21042	2.7
312.43143	0.9
365.12411	0.8
433.20306	2.1
459.22345	16.7
461.19968	1.0
462.15649	1.0
527.28601	2.0
545.29834	2.8
743.69250	0.9
751.42999	1.6
759.41925	0.8
816.46185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96906	1.8
59.01378	9.0
61.70921	1.6
61.98833	8.8
62.01122	1.8
63.24332	1.8
69.03463	2.2
71.01391	3.6
71.29812	1.7
83.05061	1.9
85.02979	2.3
87.00871	2.1
89.02456	4.9
90.30576	1.7
98.22632	7.0
101.02428	6.1
109.06612	7.6
109.47031	1.8
111.08167	6.1
113.02435	2.6
121.06779	1.7
135.08220	1.8
148.75424	1.8
160.84232	4.6
161.04576	4.4
163.11290	6.0
167.10756	4.4
179.14459	4.5
181.12332	5.2
191.67885	1.7
195.13959	9.2
197.11847	31.9
199.13586	2.7
205.12341	6.9
207.10263	16.5
209.11859	8.3
211.13348	6.8
223.13399	100.0
224.13730	2.5
225.11372	13.2
227.13124	1.8
235.08215	6.5
253.09261	18.7
254.79480	2.3
263.20032	2.5
275.01883	3.0
291.19617	14.5
293.21213	4.1
300.99832	2.8
302.24536	1.8
307.19131	3.1
309.20746	50.7
459.22165	14.4
461.20773	3.0
495.32928	2.3
497.28552	2.0
527.28003	2.5
545.30371	2.6
635.31604	2.5
651.27118	2.3
653.31427	2.4
751.40552	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	795.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.8
60.99286	1.2
61.98810	3.9
64.48583	1.2
66.38453	1.2
67.01881	3.7
69.03461	2.3
71.01369	5.4
71.51866	1.4
79.01890	3.6
81.75050	1.3
87.00874	1.4
88.98812	8.6
89.02416	3.2
95.01409	9.3
96.96008	2.7
97.02973	2.2
98.22627	3.3
100.96888	1.3
103.00364	1.9
105.01933	2.5
107.01397	10.4
109.02985	1.4
109.16347	1.3
111.00914	3.3
116.92885	2.9
123.00903	53.6
124.00862	1.9
124.01683	27.4
125.02461	77.2
127.00315	1.4
136.98817	2.9
137.02451	2.7
139.00375	9.8
139.04004	4.9
140.01178	7.8
141.01924	6.7
144.22807	1.3
151.00392	10.8
165.01949	2.3
166.99866	12.4
167.03534	2.6
168.00644	14.0
169.01443	98.3
170.01768	3.5
183.03014	9.3
193.01411	3.6
195.03102	1.4
209.11784	2.0
211.02484	19.6
241.03543	10.2
275.01877	2.6
283.04550	1.5
283.09622	1.7
301.00015	4.5
301.05655	62.4
302.06152	1.7
311.09238	6.2
312.09756	1.4
326.11517	5.9
327.12256	9.9
341.13959	2.3
463.10519	4.1
466.03116	2.5
466.53149	2.4
478.12714	36.7
479.12860	2.9
493.07767	2.6
493.15067	72.0
494.15320	6.3
643.20306	65.4
644.20886	6.6
795.21442	100.0
796.21667	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	795.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	40.9
66.98878	7.6
88.98835	15.7
98.21826	19.6
131.12738	7.3
175.03987	18.1
195.29849	8.6
218.05748	8.4
240.04349	29.0
283.06210	10.7
295.06000	12.4
298.08472	31.2
310.08557	12.5
313.10806	53.7
318.12924	9.8
321.07816	19.4
336.09894	17.9
337.07227	18.1
339.08771	25.3
340.09390	17.8
343.11859	100.0
355.11880	47.9
367.11890	98.7
373.12912	37.9
711.24872	19.8
729.25739	83.4
730.25867	17.4
741.25293	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	795.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	58.6
62.98529	6.7
72.18201	5.0
82.54345	5.1
85.41010	6.7
98.17578	6.0
110.35983	5.0
150.03221	21.5
165.05566	19.2
175.04033	9.0
190.06577	5.3
195.06659	9.2
199.92331	4.9
240.04175	10.7
257.99530	5.9
295.06055	16.7
298.08417	19.4
310.08289	7.3
313.10675	26.2
321.07550	12.2
325.07346	13.0
325.10797	8.0
336.10367	7.9
337.07108	15.3
339.08817	15.7
340.09448	17.8
343.12012	33.6
352.09564	9.8
354.10986	6.9
355.11801	46.0
359.14963	12.2
367.11865	100.0
368.12073	7.5
373.12888	6.4
385.12973	10.2
460.98547	5.8
711.24304	9.0
729.25592	49.6
741.25726	52.7
742.26068	8.3
784.90674	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	795.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00043	0.3
59.01384	1.4
60.99314	18.7
61.98845	0.5
70.48273	0.5
71.01377	0.6
82.74744	0.3
85.00428	0.4
87.00886	1.3
88.00409	0.6
88.98815	100.0
89.02455	4.1
89.99137	0.4
103.00363	0.5
103.01515	0.6
119.70499	0.3
125.02443	0.3
171.10281	0.5
173.14656	0.4
194.65518	0.3
202.18602	0.3
209.11874	2.4
227.12971	0.3
229.01563	0.3
300.99969	0.8
375.62848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
66.93816	0.1
69.24669	0.5
69.25076	0.4
73.02953	1.4
75.00872	0.9
96.41295	0.1
98.22619	0.3
99.00899	0.4
99.92590	9.7
100.92624	0.4
108.02176	0.2
111.31753	0.1
114.93419	0.5
116.92870	100.0
117.01942	3.2
117.92882	2.5
123.76079	0.2
125.02477	0.2
125.41446	0.1
145.18713	0.2
150.03189	0.2
152.01143	0.3
162.03265	0.2
164.04788	0.2
165.05643	0.2
167.03506	0.5
169.01448	0.2
195.06590	0.2
197.67738	0.1
225.03981	0.2
240.04247	0.2
250.85454	0.2
255.06549	0.4
270.08984	0.3
271.09763	0.4
300.31540	0.2
300.99667	0.2
301.10715	0.4
332.38586	0.1
677.50250	0.3
713.47675	0.3
754.81775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.2
61.98835	100.0
69.18443	0.2
73.01254	0.2
73.70608	0.2
98.22752	0.3
116.92873	0.3
141.20895	0.2
175.11926	0.2
211.13437	0.3
212.23123	0.3
235.81154	0.2
277.21777	0.4
824.12769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.3
61.98833	6.2
68.83859	1.1
71.01396	3.7
81.03474	1.8
83.05027	3.9
85.96074	1.1
89.02464	1.8
97.06617	1.8
101.02444	2.1
101.67852	1.1
111.08121	1.1
116.92855	1.4
135.47792	1.4
151.11331	1.6
161.04591	1.2
163.11292	3.3
165.12822	3.7
181.12399	1.8
186.26044	1.3
191.10776	2.4
191.14406	1.2
197.11829	1.7
207.10310	2.6
209.11859	100.0
210.12189	3.3
211.13487	2.0
216.13374	1.3
223.13472	2.0
225.11324	1.7
227.12918	16.4
235.08214	4.1
245.19095	2.3
253.09290	6.6
263.20203	2.7
271.16739	1.3
289.18103	8.7
291.19812	2.2
307.19144	16.3
309.20712	1.6
341.51822	1.1
445.20926	1.5
706.43787	1.6
753.41156	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	796.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.1
61.98817	3.2
63.78904	1.2
68.72388	1.0
71.01385	6.8
73.02966	1.2
80.02639	1.2
81.03441	2.0
81.53310	0.9
83.01408	1.5
83.05023	5.8
84.02157	1.7
85.02970	1.5
89.02457	3.0
95.05048	1.8
97.02947	3.1
97.06580	2.2
101.02444	5.8
109.06608	14.7
111.08159	2.2
113.02458	3.5
119.03521	1.2
119.18777	0.9
120.72293	1.0
121.06567	1.3
123.04532	2.3
125.09711	3.1
128.47865	1.0
135.08189	1.9
161.04565	2.2
163.11293	13.7
165.12839	2.8
171.10205	1.0
181.12355	3.2
185.11780	3.3
191.10809	1.5
191.14401	3.1
197.11836	10.6
199.13470	1.7
204.35388	1.1
207.10277	34.2
208.10596	1.2
209.11845	100.0
210.12236	3.1
211.13387	2.3
225.11319	13.7
227.12914	10.7
235.08281	5.0
245.19157	6.7
253.09305	19.4
263.20349	1.3
271.17032	1.3
289.14926	1.8
289.18109	28.1
290.18408	1.2
291.19632	5.5
307.19168	29.3
308.19485	1.3
309.20773	23.3
443.19241	2.1
445.20654	1.2
461.20169	3.6
637.32770	1.5
735.38904	2.1
753.40704	12.2
754.41766	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	797.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98835	6.0
64.34130	1.0
69.28496	3.3
69.28888	1.7
71.01372	1.9
81.03472	1.1
95.01398	2.0
95.05038	1.0
96.08629	1.3
96.70695	1.0
96.96039	2.3
99.00922	2.1
101.02500	1.2
144.21886	1.0
151.04063	6.1
151.07701	6.8
152.08443	19.4
153.08974	1.2
162.10440	1.4
163.11330	2.8
165.12837	5.2
171.10287	4.2
179.14383	1.6
181.12404	2.6
182.27315	1.0
184.07387	2.0
190.09804	1.0
193.16072	1.5
208.10944	1.0
209.11861	9.3
209.15489	19.0
223.13499	2.1
225.11238	1.7
247.02054	1.1
247.20641	6.0
252.10010	2.9
253.09335	2.7
259.89944	1.1
265.18130	3.5
273.18512	1.4
275.01782	1.3
276.34845	1.0
291.19678	53.3
292.20062	3.3
293.00977	1.1
300.99780	1.2
309.17105	41.0
309.20755	100.0
310.17636	2.2
310.21048	6.9
487.34363	30.2
488.34680	3.6
512.30927	1.2
701.31659	1.2
797.41980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09301	0.1
59.01382	0.4
61.98834	100.0
67.96452	0.1
69.17030	0.9
78.91916	0.2
79.74116	0.1
88.98817	0.2
89.02400	0.2
94.98096	0.2
96.96038	0.3
117.96064	0.2
125.02478	0.3
169.01456	0.3
189.05450	0.2
209.11743	0.2
270.35205	0.1
301.00037	0.3
313.10361	0.1
344.56799	0.1
550.36267	0.1
638.56104	0.2
825.99365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92106	0.1
59.01385	0.2
61.35770	0.1
61.98835	100.0
66.39254	0.1
69.79566	0.1
85.56243	0.1
95.48747	0.1
95.86004	0.1
98.21781	0.1
116.92884	0.2
123.56076	0.1
132.56615	0.1
162.36188	0.1
172.38354	0.2
197.11871	0.2
199.13446	0.2
211.13626	0.3
253.09380	0.2
293.21417	0.3
295.16547	0.1
300.99976	0.1
309.20956	0.2
311.13791	0.1
462.51123	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	798.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.0
61.98824	8.0
67.40750	1.7
71.01371	3.3
77.11746	1.6
83.05029	5.0
101.02447	4.0
103.01521	4.0
111.08216	3.4
125.02375	2.0
141.01744	4.3
163.11324	3.3
165.12846	3.7
169.93025	2.0
171.10265	2.2
197.11858	19.4
209.11842	100.0
210.12216	3.4
211.13371	2.6
221.11917	2.6
227.12930	13.1
235.08237	6.3
253.09305	10.5
291.19635	8.2
300.99768	3.1
309.20712	20.1
341.23450	2.2
411.96762	1.9
445.20926	3.2
786.76227	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	798.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80765	0.1
61.98837	100.0
69.27998	0.4
72.99352	0.1
94.77341	0.1
105.06696	0.1
150.66283	0.1
183.34207	0.1
358.08591	0.1
358.13721	0.1
380.83081	0.1
515.19055	0.1
692.04504	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	798.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.6
59.09974	1.2
61.98832	9.5
63.82275	1.0
71.01376	3.9
78.24834	1.1
78.95919	1.7
80.96519	2.6
83.05032	3.6
89.02452	2.6
96.61569	1.2
101.02425	1.8
113.02473	1.0
119.03481	1.1
121.56027	1.1
125.06245	1.1
163.11333	2.0
165.12840	2.2
208.41418	1.1
209.11836	100.0
210.12166	4.0
225.00754	2.3
227.12909	10.2
235.08247	3.2
253.09398	8.8
258.12878	1.1
277.21735	74.7
278.22092	2.9
321.59857	1.2
411.04016	1.1
445.20593	2.1
544.53259	1.1
634.08179	1.2
799.41711	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	799.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65828	0.8
88.41136	1.0
95.01426	1.5
117.03461	2.2
119.05040	1.7
123.00894	2.4
125.02477	4.0
129.03397	0.9
131.04982	1.1
133.02960	2.3
135.04556	1.1
145.02989	6.1
147.04541	4.1
157.02940	1.6
159.04488	2.1
161.02461	5.2
163.00249	1.0
163.04033	5.0
169.01440	2.3
171.00835	2.5
173.02452	7.7
174.03143	0.9
175.04016	5.3
176.01100	0.9
177.01978	2.1
179.03554	0.9
185.02498	4.0
187.00308	1.0
187.04033	1.0
189.01958	6.7
190.02794	3.1
191.03516	9.7
199.00479	2.2
201.01950	10.1
203.03525	9.7
205.01395	1.1
211.02457	1.1
213.01907	1.2
214.99939	1.7
217.01436	9.4
219.03026	4.1
221.04521	1.8
227.00011	5.1
228.00616	1.2
229.01414	15.0
230.01912	1.5
231.03053	7.7
235.02461	0.8
242.99318	1.6
244.98459	1.2
245.00940	14.3
246.99953	1.4
247.02499	19.8
249.04071	7.4
254.99390	2.2
257.00879	10.9
258.01559	3.6
261.00366	2.7
263.01993	0.9
270.98883	7.2
271.04596	0.9
273.00446	20.1
273.03323	0.7
274.01190	2.1
275.02008	32.4
280.16028	0.8
283.99695	2.7
285.03470	0.9
291.01385	4.4
298.98361	12.9
299.99072	5.5
300.99927	100.0
302.00223	2.5
316.99203	1.2
319.00745	1.3
329.26343	1.0
331.74963	0.9
393.04709	2.5
453.06537	2.4
461.03625	3.0
463.05670	1.6
499.18243	0.9
639.04993	0.9
646.45044	1.1
739.34259	1.0
745.03229	11.3
755.07306	3.7
763.04266	10.6
764.05524	1.2
781.05243	12.1
782.04657	1.3
788.90918	0.9
799.06085	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	799.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
69.34476	2.5
69.34884	1.7
71.01396	0.8
83.01418	0.8
95.01404	1.6
96.96056	0.9
98.22697	1.6
98.67736	0.8
101.02444	0.8
101.03957	1.2
109.02952	0.8
111.00922	1.0
117.03474	2.2
119.05022	2.2
123.00903	3.0
125.02460	3.4
129.03503	0.9
131.04982	1.1
133.02942	1.5
135.04529	2.2
137.02319	1.0
145.01450	4.1
145.02963	6.9
147.04538	4.0
155.14127	0.8
157.02928	3.0
159.04556	1.6
161.02496	6.2
162.03215	0.8
163.00397	1.4
163.03979	5.2
164.01187	1.3
165.02026	1.5
169.01471	4.0
170.04146	0.8
171.00954	3.1
172.01549	1.0
173.02451	10.4
175.04044	5.6
177.01909	2.1
178.02701	1.0
179.03534	1.9
185.02435	4.8
189.01901	5.7
190.02736	3.6
191.03508	11.1
199.00415	3.2
200.01125	2.7
201.01939	13.7
203.03558	8.4
205.01523	1.4
205.03404	1.1
211.02498	1.1
213.01974	1.0
214.02734	1.2
214.99931	2.0
216.00575	1.1
217.01425	10.0
218.02336	1.3
219.03006	4.9
221.04608	1.1
223.90175	0.8
226.99873	4.3
228.00679	1.9
229.01443	19.9
230.02153	2.0
231.02997	7.5
233.00925	1.2
235.02411	1.5
242.99409	1.6
243.03160	0.8
245.00974	15.5
247.02510	21.9
249.04094	5.3
254.99370	1.7
257.00940	9.8
258.01694	3.5
259.02145	1.2
261.00507	2.6
270.98868	7.2
271.04623	1.1
273.00421	19.3
274.01251	1.3
275.01999	29.7
276.02191	1.1
277.39920	1.0
283.99640	3.0
289.00012	0.9
291.01483	6.5
298.98352	11.6
299.99106	5.9
300.99918	100.0
302.00208	3.4
316.99353	1.2
319.00934	1.1
363.03580	2.3
393.04544	2.5
431.11523	0.8
435.05911	1.1
453.06818	3.7
461.03656	3.0
479.04837	1.1
717.49884	1.0
727.08020	1.8
735.05640	1.2
744.90881	1.5
745.03302	17.2
746.04517	0.9
755.07507	5.7
756.08380	1.1
763.04285	12.7
781.05414	15.7
782.05225	1.4
799.06781	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	799.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	35.1
61.98839	5.2
71.01389	25.9
73.02954	12.6
76.71012	3.0
83.01373	4.4
85.02959	12.5
86.57013	2.9
87.00882	58.2
88.13647	3.4
88.98819	12.5
89.02435	10.8
92.84605	2.7
93.85020	2.9
95.01431	3.8
96.96043	3.3
99.00905	5.2
101.02474	19.3
107.05019	10.2
113.02433	11.2
119.03506	2.9
121.03004	10.1
121.85600	3.6
122.03765	17.1
123.00904	6.6
123.04521	4.1
124.01689	5.0
125.02447	16.5
130.99875	26.3
134.03761	7.4
135.04532	4.0
137.02496	3.2
145.02985	5.0
147.04561	9.3
148.05402	3.8
161.02451	3.4
161.04597	5.9
163.04001	8.2
164.04759	4.4
169.01488	14.0
172.51170	2.8
175.03989	3.4
177.02089	3.5
185.02415	4.1
191.03607	4.0
191.10774	11.1
194.02159	4.1
201.02013	4.1
203.03552	4.9
209.11891	9.8
219.03151	2.8
219.10335	4.2
229.01431	9.2
231.02943	4.1
249.04216	4.1
254.04294	29.4
257.00937	6.2
275.01999	18.3
283.99594	3.2
299.99112	3.7
300.99927	93.6
302.00208	9.6
351.10904	100.0
352.11066	5.7
497.83521	4.0
546.44360	3.7
593.36823	11.1
619.31329	4.4
738.40228	3.6
739.42584	54.6
742.05750	3.2
799.17175	25.7
799.33752	5.9
800.18188	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	799.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01383	100.0
60.99302	2.0
61.98835	10.1
69.03446	2.6
70.11754	1.3
71.01388	41.7
71.44124	1.4
72.99303	4.9
73.02950	26.5
75.00883	4.1
76.64628	1.3
80.74097	1.2
83.01418	3.6
85.02956	18.4
86.00111	3.4
87.00883	15.6
87.04524	7.3
88.98821	7.0
89.02444	33.8
89.71158	1.3
95.01418	2.0
95.75472	1.4
96.96029	3.1
99.00895	1.9
99.04523	2.4
101.02448	38.1
102.76141	1.3
103.00362	1.5
103.04013	10.9
105.01933	2.1
105.81448	1.6
113.02456	12.6
115.04023	16.4
119.03521	14.5
123.00933	2.9
124.01662	2.2
125.02441	3.1
129.87619	1.4
130.68175	1.4
131.03511	15.5
135.04465	1.4
143.03532	17.3
145.05067	6.9
161.04637	3.2
161.13333	1.6
163.06122	40.3
169.01421	3.0
179.05582	4.2
187.11359	2.2
205.07178	23.4
209.11841	4.3
225.14899	2.2
247.08246	26.1
275.01962	5.3
300.99792	8.3
307.10312	5.0
325.11435	2.4
376.02341	2.8
390.02118	5.4
593.36859	5.4
619.31165	5.1
691.39130	1.5
739.42816	90.7
740.42859	7.4
747.08795	1.5
799.37384	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	799.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97544	6.0
59.01365	8.4
61.98837	80.8
64.41044	3.7
71.43478	3.6
80.55623	3.3
101.02444	4.3
108.16566	3.2
115.48421	3.6
171.10391	4.0
171.38164	3.6
197.11871	9.5
198.74963	4.1
209.11832	100.0
211.13414	5.4
227.12904	11.8
235.08110	4.9
253.09335	15.0
275.20190	3.8
291.19601	4.1
293.21292	36.3
300.99872	3.9
307.18961	5.0
309.20676	7.2
318.98657	4.4
344.09857	4.4
390.01767	3.6
445.21188	4.3
485.32587	6.7
523.81476	3.7
648.23108	3.5
732.25165	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	800.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82679	0.1
59.01379	0.5
59.89602	0.1
60.40413	0.1
61.98834	100.0
69.14164	0.3
69.14565	0.6
71.01398	0.3
79.95708	0.2
80.96542	0.2
89.02501	0.2
92.92815	0.1
92.97489	0.2
94.98109	0.6
96.96030	0.5
101.02481	0.2
123.00980	0.2
125.02445	0.4
126.90459	0.2
169.01459	0.3
209.11942	0.3
210.12326	0.3
275.02271	0.2
301.00122	0.4
340.01385	0.2
546.75293	0.2
581.15723	0.2
800.38147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40191	0.1
60.45087	0.1
61.98835	100.0
62.98535	0.1
69.94685	0.1
69.95033	0.2
71.01354	0.1
73.79205	0.1
80.96502	0.1
81.95995	0.1
84.13422	0.1
98.21947	0.1
115.68263	0.1
116.92896	0.3
155.12314	0.1
156.59357	0.1
183.65451	0.1
197.11920	0.1
209.11920	0.1
211.13368	0.1
212.13644	0.1
309.20868	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	800.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02406	0.1
59.01370	0.2
61.98835	100.0
62.98536	0.1
66.20416	0.1
70.75273	0.1
71.01404	0.2
75.90900	0.1
79.95741	0.2
80.96526	0.3
188.84363	0.1
209.11879	0.2
210.12274	0.2
236.14044	0.1
293.21225	0.2
310.89807	0.1
801.37433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93622	0.6
57.03223	0.5
57.03453	5.1
58.00579	0.9
59.01384	49.7
61.98816	1.4
69.24137	4.8
71.01389	39.4
72.99319	1.2
73.02950	17.4
83.01398	6.7
85.02962	20.9
86.00151	0.9
87.00868	4.1
87.04540	1.0
89.02451	10.6
95.01378	3.4
96.95985	2.1
97.02956	1.8
99.00888	4.4
101.01795	1.6
101.02451	28.3
103.04016	4.4
107.01366	0.8
111.00890	1.5
113.02454	16.0
115.04027	2.1
119.03508	4.3
123.00867	1.5
125.02457	5.0
131.03511	2.3
135.04543	0.9
143.03523	4.6
143.10777	4.1
145.05110	1.4
159.02994	2.4
159.39510	0.7
161.02417	0.9
161.04559	6.6
161.13437	1.7
163.06129	5.5
165.05661	0.9
169.01448	4.1
179.05603	1.0
187.11322	4.7
205.07184	2.8
205.12311	1.8
209.11731	0.9
227.16525	1.3
247.08257	2.4
267.17542	0.9
271.17065	0.9
271.65689	0.7
296.07224	0.8
300.99969	2.5
345.10815	2.8
390.52441	1.1
413.30515	1.7
421.11627	1.5
431.31024	0.7
449.32788	2.8
461.20291	1.8
593.37061	2.0
611.37994	23.1
612.38788	1.4
621.32672	11.9
701.67816	1.0
739.43158	3.5
740.43536	2.3
757.43823	100.0
758.44208	10.1
777.57819	0.7
801.39240	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	801.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
70.00237	1.5
70.00595	1.5
71.01369	1.0
89.47495	0.8
95.01400	2.6
101.02575	0.6
107.01405	0.8
119.05006	1.0
123.00916	4.6
124.01700	0.8
125.02482	5.0
129.03462	0.8
133.01436	1.3
133.02980	1.3
135.04550	1.1
139.00388	0.8
145.02934	2.5
147.04538	2.0
149.02408	0.7
157.02914	1.0
159.04474	1.1
161.02512	1.8
163.00418	0.9
163.04034	1.3
164.01222	0.9
166.99901	1.4
169.01443	5.4
173.02492	2.6
175.04005	2.2
177.01898	1.6
185.02449	2.3
187.03961	1.6
188.01161	1.2
189.02016	2.6
190.02713	2.8
191.03531	1.9
199.00325	1.1
200.01134	2.0
201.01944	6.0
202.02754	0.9
202.42841	0.8
203.03500	5.2
213.02090	1.7
216.00700	1.7
217.01451	3.9
218.02220	1.6
222.89238	0.8
226.99860	1.2
228.00644	2.9
229.01439	9.2
230.02132	1.4
231.03027	5.9
242.99342	1.7
244.00174	1.2
245.00908	4.5
246.01488	0.9
247.02492	5.3
248.03186	1.2
249.04027	5.2
252.79622	0.7
257.00845	6.6
258.01700	2.3
259.02362	1.1
261.00363	1.3
270.98904	3.6
271.99753	1.1
273.00485	6.1
273.11313	0.8
274.01233	7.4
275.01999	15.5
283.99731	4.4
285.00452	2.7
291.01660	0.9
298.98291	4.6
299.99161	16.2
300.99921	100.0
302.00290	4.4
425.01691	4.0
445.04086	2.4
463.05157	1.7
479.04663	0.9
486.91061	0.8
587.06940	0.8
603.06091	0.8
605.08063	1.9
613.04797	16.5
614.05609	1.8
631.05664	6.6
632.06537	16.1
633.07489	23.3
634.07751	1.1
757.09064	20.0
758.09747	1.8
813.17908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.08
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59315	0.5
59.01377	1.4
63.34702	0.6
63.60220	0.6
69.28983	0.5
69.81940	0.6
71.01388	1.1
71.93494	0.5
75.00871	5.4
84.92886	0.6
85.02972	0.9
87.00889	0.7
90.87894	0.5
97.02937	0.8
99.00871	1.4
101.13619	0.6
107.01431	1.4
123.00879	1.4
124.01735	0.7
125.02472	5.5
129.01982	4.1
129.03531	0.9
133.01508	0.7
133.02971	0.8
145.02960	1.7
147.04510	1.0
157.02951	1.0
159.04526	0.7
163.04025	2.1
168.00653	0.8
169.01431	6.2
173.02452	1.9
177.04085	1.2
185.02461	2.0
189.01959	0.7
190.02588	0.7
191.03464	1.7
195.05118	15.9
195.06903	0.8
201.01881	2.8
203.03539	1.8
211.02551	0.6
217.01471	1.4
219.02972	0.7
226.99709	0.8
229.01462	5.5
231.03006	1.8
245.00943	1.8
247.02502	2.6
249.04118	3.0
257.01019	3.0
258.01553	0.8
273.00443	1.2
274.01157	1.1
275.02020	9.8
283.99496	3.4
289.06876	0.6
298.98407	1.8
299.99069	3.6
300.99927	100.0
302.00333	4.4
303.00519	0.7
329.05139	0.7
347.06207	17.0
393.40988	0.6
422.52612	0.6
481.06323	1.0
499.07504	2.3
525.08118	0.7
561.08997	0.9
585.15826	0.6
613.04572	0.8
628.23590	0.6
633.07312	1.4
649.06744	2.2
729.08240	1.1
757.09540	0.9
765.05426	1.7
783.06860	1.3
801.08142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61005	0.3
57.03424	0.3
59.01376	0.6
69.03454	0.4
71.01385	0.7
71.42917	0.2
75.00877	4.5
85.02955	1.1
87.00856	1.2
99.00885	1.6
107.01416	1.3
123.00926	1.4
124.01665	0.8
125.02453	7.3
125.03324	0.5
129.01961	3.3
129.03461	0.4
133.03072	0.3
139.00394	0.3
145.02910	1.3
147.04500	0.6
148.38153	0.3
149.82263	0.2
151.00323	0.7
157.02966	0.6
159.03036	0.3
161.02420	0.4
163.04056	0.3
168.00673	0.6
169.01459	7.2
173.02438	1.9
175.04030	0.7
177.04089	0.4
185.02431	2.7
189.01834	0.3
191.03554	0.5
193.05247	0.3
195.05113	15.4
196.05437	0.3
201.01935	2.3
203.03517	1.2
213.01945	0.3
214.08247	0.2
217.01476	0.3
226.99916	0.9
228.00706	0.4
229.01416	4.8
230.01863	0.3
231.02998	0.8
237.03996	0.6
244.00182	0.4
245.00932	1.7
247.02454	0.3
249.04001	1.4
254.99475	0.4
257.00897	2.4
258.01596	0.6
261.00443	0.3
267.05173	1.4
273.00436	0.9
274.01221	0.3
275.02017	4.9
283.99622	2.4
285.06198	2.6
298.98444	0.3
299.99139	2.9
300.99918	100.0
302.00308	4.1
329.05109	0.8
340.24219	0.3
347.06235	15.8
348.06580	0.5
481.06479	0.5
497.05582	0.5
499.07321	1.5
585.49542	0.3
649.07001	1.4
782.72870	0.3
809.78741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01385	5.0
61.98837	6.5
63.81345	0.4
68.49177	0.4
71.01389	3.2
73.02937	1.3
80.96482	0.4
84.02177	0.5
85.02953	2.2
87.00891	0.8
88.98824	0.5
89.02460	1.9
95.01407	1.3
96.96027	1.2
97.02958	0.7
99.00872	0.5
101.02467	1.9
108.02191	1.7
109.02985	2.3
111.00908	0.5
113.02466	0.9
119.03533	0.7
121.02975	3.2
122.03748	2.0
123.00887	2.8
123.04532	1.0
124.01676	1.1
125.02470	2.4
133.02945	0.6
135.04497	1.1
136.01672	54.5
137.02509	7.0
139.04018	1.5
149.02457	0.9
149.06100	0.8
150.03233	0.8
151.00404	9.9
151.04021	71.3
152.01134	1.6
152.04639	2.3
159.04501	0.8
160.05333	1.8
161.02425	1.3
161.06062	0.5
162.03191	1.1
163.03999	1.2
163.06131	1.0
165.01952	1.0
165.05495	0.4
166.02725	37.0
167.03529	2.9
169.01456	2.7
172.05424	0.6
173.02496	1.4
173.06064	0.6
174.03250	0.5
175.04033	2.5
175.07664	1.6
176.01202	0.4
176.04802	1.2
177.01982	2.1
177.05603	1.6
179.03540	0.7
180.04350	0.5
181.05080	48.3
182.05403	0.8
187.03941	0.6
189.05594	2.6
190.02734	0.6
190.06346	2.7
191.03510	2.7
191.07048	0.7
192.04315	0.9
193.05032	1.0
195.02994	0.5
195.06738	0.4
203.03511	1.1
204.04218	0.5
205.05066	2.4
205.06891	0.5
205.08783	1.8
206.05856	3.3
207.06641	0.8
209.11749	0.5
211.07292	0.5
218.05858	0.6
219.06708	0.8
220.07416	1.1
221.08206	6.7
233.08221	0.6
247.08310	0.6
275.02026	1.6
279.06543	0.5
282.05383	1.2
294.05386	1.3
296.07166	0.5
297.07718	1.1
299.09262	0.6
299.99271	0.5
300.99951	2.7
302.00220	0.6
309.07870	2.0
311.09204	0.9
312.06232	0.6
324.10156	1.8
327.08783	1.4
329.10385	2.8
339.12381	0.9
341.14038	0.4
342.11102	6.4
343.11719	1.2
354.11130	0.7
357.09708	14.1
357.13519	32.7
358.10046	0.9
358.13950	1.8
369.13528	2.6
371.15134	2.2
372.12152	12.0
373.12692	1.6
382.01480	0.4
386.14117	0.5
387.14511	100.0
388.14798	5.9
390.02362	0.6
390.52774	1.0
391.02423	0.7
392.01761	0.4
401.16055	2.0
417.15695	1.4
453.19284	0.4
561.53723	0.5
567.22400	9.5
568.22632	1.0
574.54156	0.5
579.22516	1.4
597.23444	38.9
598.23749	3.8
611.41870	0.6
741.44049	2.2
757.47119	1.2
758.47375	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88847	2.4
59.01387	61.7
61.98837	85.2
71.01387	29.1
71.41742	2.6
72.99314	2.9
73.02948	4.0
78.91903	3.8
78.95898	2.3
79.95735	3.8
80.96512	4.0
85.02959	8.9
88.98818	4.8
89.02466	21.0
94.98119	2.5
95.01386	4.9
96.96025	6.6
101.02476	12.3
107.01422	2.5
113.02445	9.9
119.03492	4.3
122.06174	4.4
123.00935	4.0
125.02443	12.7
126.75607	2.4
134.06125	21.3
135.04578	2.7
150.05638	2.8
152.07143	3.8
169.01437	11.8
209.11884	12.0
235.08791	2.7
239.12000	4.1
247.02477	3.1
247.08786	12.1
248.09587	6.1
249.10371	8.2
257.00851	2.5
273.00555	2.5
275.01953	4.3
275.08246	3.7
276.09070	19.7
277.09756	12.4
289.10001	4.5
299.99292	3.4
300.99872	10.4
309.12366	2.8
352.14731	3.0
379.13208	2.9
380.14069	9.6
392.77567	2.3
393.11188	5.6
394.16037	4.4
395.12189	3.7
395.16721	4.4
396.13052	3.5
396.17459	3.4
397.13663	2.7
398.15106	16.4
408.13620	23.2
410.15491	5.3
422.15057	4.4
423.15891	14.6
424.16797	4.4
430.18042	3.7
454.17981	3.7
455.18436	4.8
517.19226	2.5
545.21661	12.3
602.21179	5.8
603.22668	14.0
604.22656	4.7
621.23553	10.3
635.24670	9.1
647.21008	3.0
697.28375	6.8
725.28308	100.0
726.28821	13.4
741.45294	2.8
757.30310	10.3
769.27112	13.9
801.29620	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	801.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26942	3.0
59.01388	66.9
61.98831	40.5
70.24323	3.5
71.01382	35.2
72.99308	3.2
73.02959	4.5
79.95744	4.2
80.91702	4.4
82.95424	12.0
83.05025	4.9
85.02966	9.3
85.90106	2.7
87.00902	5.9
89.02451	25.3
95.01360	5.3
96.96012	34.3
97.02982	3.8
97.06584	3.4
101.02438	15.3
106.06628	6.6
107.57269	3.6
111.53036	3.3
113.02452	13.1
114.02751	3.1
119.03557	7.0
119.68399	2.7
122.06126	5.7
125.02475	5.4
125.09761	4.4
134.06117	49.2
149.56070	3.1
152.07220	10.5
169.01462	7.3
171.10251	15.1
175.02519	8.4
182.67007	3.2
189.92976	3.4
197.11929	5.4
207.10300	6.6
209.11847	48.7
211.13458	19.1
223.09848	4.0
227.12775	7.9
233.15398	3.9
235.08324	4.9
265.07632	4.5
275.01880	4.5
287.16385	7.2
301.00061	8.4
305.17636	6.8
341.23416	6.2
354.12405	8.6
357.14896	5.0
368.14151	4.5
370.15503	10.6
382.11917	11.3
383.12656	8.0
391.03418	3.7
396.13541	5.2
396.19580	3.5
397.13696	9.6
398.15125	41.8
410.15140	19.8
489.19534	4.3
503.20755	4.5
545.21729	5.1
695.12341	4.3
697.28229	4.1
725.28290	100.0
726.28888	14.9
757.30927	28.6
769.27313	18.0
783.38562	6.6
801.29779	55.7
801.42682	5.9
802.30524	8.8
820.35199	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	801.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	56.9
59.59764	1.0
64.74153	1.0
66.90453	0.9
69.03405	0.9
69.25677	6.0
71.01392	1.8
73.02898	1.1
73.31113	1.0
85.02949	2.5
85.06596	2.9
87.00891	10.3
88.97274	1.1
97.06617	1.8
101.06117	2.0
103.00362	6.4
107.01385	2.8
113.02470	1.6
113.06120	7.6
113.09751	2.8
118.96104	0.9
123.00903	10.9
124.01661	4.3
125.02454	10.8
126.02825	1.0
129.05614	3.4
131.07159	7.3
139.00430	1.7
146.03719	2.3
147.04506	1.2
151.00345	4.9
153.09296	1.2
157.08711	4.4
168.00580	1.4
169.01436	14.4
172.05345	1.3
174.03232	1.1
175.07666	4.1
175.09770	100.0
176.10057	1.8
181.05003	1.0
190.06413	2.4
200.04895	2.9
201.09245	3.8
203.07191	2.3
217.08775	2.4
217.10789	20.9
219.10251	3.4
229.08701	10.8
245.08104	1.1
271.04636	1.3
273.07663	6.6
300.99951	2.0
313.05643	2.6
333.09708	3.1
351.10873	52.3
352.11414	2.3
353.11615	1.4
510.72107	1.3
539.21393	82.7
540.21680	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	801.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.3
61.98836	66.9
62.33866	0.9
63.96228	2.3
71.01389	10.3
73.02932	2.5
78.95889	3.6
78.98599	7.8
79.53080	0.8
79.95741	18.5
80.96525	91.5
81.03448	1.4
83.01382	1.1
83.05022	1.7
85.02982	4.0
87.00855	3.3
88.98800	1.1
94.98096	20.6
96.96025	6.1
97.02942	1.5
101.02460	5.9
106.97393	0.9
106.98088	4.6
107.01426	1.8
111.00896	1.4
113.02475	2.2
122.97575	3.6
123.00893	3.3
124.01645	3.9
125.02457	8.6
132.36201	0.9
134.06050	1.5
134.97597	6.5
135.04510	0.9
139.00322	0.9
148.99165	6.4
152.98630	6.4
164.98650	14.7
165.12953	1.2
167.00012	0.8
168.00681	1.6
169.01413	4.9
175.03868	1.0
183.13884	1.6
189.01820	0.9
191.03429	0.9
201.01953	1.3
206.99641	2.8
207.10057	1.0
209.11855	12.2
210.12138	3.2
224.98619	1.4
225.00754	27.5
229.01274	1.7
245.00844	0.9
273.00400	1.5
275.01859	3.3
300.99811	7.0
302.00311	1.0
347.32526	0.9
390.02133	1.7
390.52075	1.3
541.19867	5.4
592.25574	2.2
639.35345	7.8
725.27551	1.1
801.35809	100.0
802.36304	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	801.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41023	1.9
57.03446	4.9
59.01385	86.4
59.61939	2.1
61.98832	4.6
71.01387	52.2
72.99296	2.4
73.02954	10.1
81.03461	2.3
82.95426	4.5
83.01388	4.0
85.02957	16.3
87.00906	2.5
89.02459	29.2
95.05048	3.2
99.00916	3.3
99.04526	3.5
101.02465	28.3
107.05064	3.6
113.02449	16.3
115.04071	3.0
117.03541	2.1
119.03473	6.8
120.05854	3.5
123.00858	2.3
125.02459	7.7
130.08762	22.1
131.03539	3.2
135.04605	3.0
155.10793	5.0
161.04594	5.5
161.09697	3.3
161.13373	23.4
163.06183	3.8
169.01414	10.5
187.11301	56.3
188.11716	2.9
205.12383	27.1
224.24582	2.4
227.16533	12.1
229.12512	2.9
231.10208	6.0
249.11328	5.9
275.01901	4.4
300.99927	12.0
302.00107	2.3
314.89374	2.6
338.19806	16.1
339.20096	3.2
363.91763	2.6
389.22058	4.7
411.16534	2.5
467.03714	3.0
528.52710	2.3
577.33783	4.3
621.32898	100.0
622.33301	12.7
640.26996	3.0
660.99359	2.6
755.42810	3.4
801.39160	69.7
802.39697	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	801.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41023	1.9
57.03446	4.9
59.01385	86.4
59.61939	2.1
61.98832	4.6
71.01387	52.2
72.99296	2.4
73.02954	10.1
81.03461	2.3
82.95426	4.5
83.01388	4.0
85.02957	16.3
87.00906	2.5
89.02459	29.2
95.05048	3.2
99.00916	3.3
99.04526	3.5
101.02465	28.3
107.05064	3.6
113.02449	16.3
115.04071	3.0
117.03541	2.1
119.03473	6.8
120.05854	3.5
123.00858	2.3
125.02459	7.7
130.08762	22.1
131.03539	3.2
135.04605	3.0
155.10793	5.0
161.04594	5.5
161.09697	3.3
161.13373	23.4
163.06183	3.8
169.01414	10.5
187.11301	56.3
188.11716	2.9
205.12383	27.1
224.24582	2.4
227.16533	12.1
229.12512	2.9
231.10208	6.0
249.11328	5.9
275.01901	4.4
300.99927	12.0
302.00107	2.3
314.89374	2.6
338.19806	16.1
339.20096	3.2
363.91763	2.6
389.22058	4.7
411.16534	2.5
467.03714	3.0
528.52710	2.3
577.33783	4.3
621.32898	100.0
622.33301	12.7
640.26996	3.0
660.99359	2.6
755.42810	3.4
801.39160	69.7
802.39697	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	801.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01377	2.1
61.98837	5.7
67.01925	0.8
68.52493	0.3
69.03442	0.9
70.54046	0.5
71.01398	3.8
73.02945	0.9
78.91919	0.6
78.95953	0.4
79.01910	0.7
79.95764	0.4
81.03471	1.1
82.95443	0.4
83.01402	1.0
85.02953	3.2
87.00892	0.7
87.93105	0.3
95.01399	1.4
96.96020	7.4
97.02961	1.6
98.96398	0.4
99.00872	0.5
101.02453	2.3
107.01402	10.8
109.06645	0.5
111.00894	1.4
113.02457	4.5
116.92851	0.5
119.03531	0.5
123.00905	10.7
124.01682	5.8
125.02460	71.0
126.02794	1.3
126.90517	0.4
127.00351	0.9
128.90154	0.7
136.98816	0.8
137.02492	0.4
139.00383	1.9
140.01141	1.8
141.01981	2.1
143.03542	0.5
151.00391	8.9
153.01918	0.8
166.99881	0.4
167.03619	0.5
168.00662	3.3
169.01439	100.0
170.01755	1.8
171.10280	1.2
174.71182	0.4
175.02504	0.4
175.64807	0.3
177.01912	0.4
179.03596	1.3
181.05093	0.6
198.07034	0.4
199.13416	0.4
209.11836	6.9
211.13416	1.7
223.02515	1.2
225.04073	2.1
227.12886	0.6
229.14577	0.4
235.08171	0.5
253.03641	0.9
253.09334	1.3
269.06784	0.4
275.01959	0.6
295.04932	0.4
299.99185	0.4
301.00046	1.1
309.20609	0.4
313.05682	57.2
314.06122	1.8
327.21753	2.3
334.51160	0.3
475.25482	0.4
487.34344	3.9
506.42084	0.3
575.77051	0.4
666.91467	0.4
749.47614	0.3
801.40710	68.7
802.41040	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37238	1.4
56.66256	1.2
57.03474	2.3
59.01385	89.3
60.13871	1.4
61.98837	100.0
69.03470	1.9
69.09999	9.9
71.01386	33.3
71.30222	1.3
72.99318	1.7
73.02953	22.4
75.00869	1.7
80.64953	1.5
80.96507	2.4
83.01403	4.3
84.02153	1.3
85.02966	16.7
86.00125	2.5
87.00880	13.1
87.04525	7.0
88.98833	2.2
89.02446	27.1
94.98063	1.3
95.01388	2.4
96.96051	4.3
97.03017	1.7
99.00912	1.9
101.02455	30.0
103.04021	9.9
107.01427	1.4
113.02435	8.7
115.04018	10.6
119.03500	9.9
119.05000	1.7
121.02978	2.2
123.00888	3.2
123.04526	1.5
124.01677	1.9
125.02493	6.7
131.03497	10.4
135.04469	1.4
136.01682	32.0
137.02454	5.5
139.03827	1.3
143.03519	13.4
145.05069	3.6
149.02605	1.4
151.00415	4.7
151.04025	46.2
152.04465	2.6
161.02463	1.5
161.04602	2.7
163.04036	2.1
163.06142	24.4
166.02727	19.6
169.01450	6.4
175.04053	2.7
177.01845	1.7
179.05649	3.2
181.05077	29.3
182.05467	1.8
187.04030	1.7
189.01915	1.4
189.05624	1.4
191.03499	1.8
193.30215	1.3
203.03494	2.2
205.07172	15.3
206.05774	2.2
209.11816	3.3
221.08266	4.0
247.08246	14.9
273.00552	1.6
275.01962	5.5
299.99124	1.7
300.99966	8.3
315.65564	1.3
329.10159	1.7
342.11185	4.1
342.55154	1.5
357.09702	8.2
357.13483	19.0
358.13940	2.4
372.12180	9.3
373.54327	1.4
387.14508	57.2
388.14923	8.0
567.22699	5.7
568.22968	1.8
595.38672	5.5
597.23395	20.6
598.23871	4.6
642.00665	1.6
725.15985	1.4
741.44342	74.0
742.44379	13.0
831.64667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67258	0.1
61.98833	100.0
71.01397	0.1
71.18417	0.1
80.96532	0.2
95.24987	0.1
96.73016	0.1
98.22687	0.2
121.91833	0.1
162.64285	0.1
190.12640	0.1
293.62946	0.1
378.49710	0.1
526.54169	0.1
708.75684	0.1
723.78430	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	802.424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.16611	1.2
78.91908	0.6
80.96492	0.2
98.21957	0.3
109.39090	0.2
111.93649	0.2
120.52051	0.2
149.02298	0.2
150.41745	0.2
209.11923	0.8
252.09966	0.2
254.70660	0.2
257.79950	0.2
277.21805	0.5
387.63641	0.2
714.44476	0.2
803.40607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95366	0.3
61.98838	100.0
71.18414	0.3
71.18755	0.6
74.27141	0.3
79.95769	0.4
80.96548	0.8
91.53510	0.3
111.95929	0.3
117.04886	0.3
149.70094	0.3
209.11845	2.1
210.12234	0.4
216.03801	0.3
222.79155	0.4
227.12735	0.4
255.44431	0.3
277.21811	1.6
298.93890	0.3
343.95483	0.3
351.53522	0.3
362.56683	0.3
442.45261	0.3
803.39618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30158	0.1
59.01375	0.2
61.98835	100.0
62.98529	0.2
66.23182	0.1
70.94173	0.1
71.01411	0.1
72.45662	0.1
79.95744	0.1
80.96542	0.3
99.24684	0.1
100.16449	0.1
116.92918	0.1
147.17145	0.1
171.10393	0.1
197.11877	0.3
198.12195	0.1
205.96178	0.1
209.11948	0.2
211.13554	0.1
223.13472	0.1
398.32916	0.1
802.37634	0.2
803.38849	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	803.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.2
60.37540	0.7
61.98823	2.0
69.07182	2.5
69.07617	2.4
70.52312	0.7
71.01385	10.0
80.05079	1.8
83.01414	0.9
85.02946	2.2
89.02451	7.2
98.22632	1.7
101.02452	4.9
104.05075	0.9
106.06638	4.0
107.03772	0.8
113.02457	3.1
119.03522	2.4
120.08148	0.7
121.05343	1.5
122.06134	6.5
132.04555	2.3
134.06133	19.9
135.06523	1.1
139.98988	0.7
141.45013	0.7
152.07191	2.7
153.76616	0.9
160.06444	2.8
174.05548	0.8
175.59447	0.7
190.05087	1.5
213.10339	13.7
225.10376	1.8
226.11188	1.6
227.11877	1.0
239.11891	6.5
241.13516	6.8
251.11978	2.4
267.11533	0.8
277.09769	1.0
278.10376	0.8
279.11414	1.3
285.12482	21.8
286.12848	0.7
293.12796	1.3
305.09372	1.4
307.11258	0.7
316.14648	0.7
328.10977	1.7
337.12158	1.2
340.14386	1.2
342.12439	1.4
343.13260	1.2
355.12933	0.8
356.13922	1.5
357.14822	1.1
358.15591	7.4
359.16385	0.8
370.11594	1.1
370.15775	1.5
371.92892	0.8
372.16998	1.5
382.11835	1.1
383.13147	0.8
384.13202	3.4
385.13913	0.7
396.13409	1.3
397.14392	2.1
398.15054	3.2
399.15424	1.1
400.16623	7.5
410.15048	1.1
412.16562	5.6
426.14856	1.6
438.14508	0.9
444.15463	2.0
475.16867	1.1
481.67099	0.8
491.20987	1.3
505.22495	1.1
509.49579	0.9
517.17950	1.6
545.21991	1.4
591.23096	1.1
685.28381	1.4
727.29944	5.5
728.30194	0.9
743.29095	1.9
753.27563	1.4
771.28900	100.0
772.29224	15.2
803.31580	18.6
804.32294	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	803.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.3
59.01388	45.3
61.98836	93.1
69.16805	9.0
71.01389	22.1
73.02921	4.5
77.14701	1.8
79.95747	6.3
80.05070	2.6
80.96509	11.7
81.03428	2.1
82.96121	5.3
83.01387	2.7
85.02965	7.7
87.00906	2.4
88.98810	2.6
89.02437	13.0
90.21803	1.8
94.98143	3.9
96.96022	31.8
97.41526	2.0
99.00896	2.1
101.02478	14.7
104.05085	1.9
106.06633	7.8
109.02995	3.4
113.02462	6.5
113.29183	2.0
119.03498	5.0
122.06124	7.7
123.00910	3.6
125.02479	8.5
132.04549	2.2
134.06131	33.9
152.07214	3.5
160.04015	2.1
160.06433	4.0
164.98575	2.8
165.05707	2.1
166.99664	2.0
169.01424	7.5
174.05556	2.1
198.85011	2.3
201.35789	2.9
203.03537	2.6
209.11829	7.1
213.10324	19.2
225.00682	3.4
229.05161	3.4
239.11920	15.2
241.13403	11.2
251.12007	2.4
257.01062	2.1
267.11533	2.0
267.35101	2.2
274.01031	2.8
275.01968	6.4
279.11499	2.3
279.70087	2.0
285.12445	27.4
293.13071	2.5
295.11029	2.2
299.99030	2.1
300.99878	11.8
305.09387	4.0
328.10754	3.6
342.12570	2.8
343.13174	2.5
344.13788	2.3
346.57394	2.5
356.13873	2.7
357.14865	3.0
358.15466	11.8
370.11664	2.8
370.15723	3.6
384.13571	6.2
385.14279	3.9
397.14114	4.4
398.14993	3.4
400.16843	13.5
401.16907	2.3
412.16714	6.4
426.14981	2.3
444.15793	3.3
457.02383	2.5
466.02792	3.1
466.53006	3.1
467.03476	3.1
475.17142	4.7
685.28607	5.2
727.29596	17.6
743.44263	2.3
757.46216	2.9
771.28979	100.0
772.30017	14.8
773.09283	2.2
791.41071	3.2
803.31097	46.7
804.32813	7.8
822.60461	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	803.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91242	0.1
59.01377	0.6
61.98834	1.4
70.21516	0.4
71.01385	0.5
73.66709	0.1
78.95914	2.8
79.95744	3.7
82.95428	2.7
83.01427	0.2
83.52715	0.1
85.02946	0.2
89.02486	0.2
94.98080	0.5
95.97634	0.1
96.00927	0.2
96.96021	100.0
96.96902	3.6
97.95966	0.2
98.21991	0.2
101.02465	0.2
107.01378	0.2
113.02482	0.2
120.18879	0.2
124.01633	0.2
125.02463	0.6
128.90190	0.5
129.01933	0.2
139.00403	0.1
152.36945	0.1
169.01418	0.8
170.01781	0.2
171.10318	0.2
188.87817	0.2
195.10310	0.2
197.11896	0.2
207.10287	0.2
209.11864	1.8
223.13422	0.1
225.11394	0.3
227.12970	0.3
229.01344	0.2
253.09030	0.2
265.07626	0.6
275.01981	0.4
299.99243	0.2
300.99979	0.7
313.05963	0.2
343.22308	0.1
362.95197	0.2
363.52844	0.2
377.58246	0.1
483.15698	0.3
687.31677	0.2
803.40894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66016	2.7
58.87772	3.1
59.01387	31.3
61.98833	65.6
66.17333	3.5
69.03469	6.2
71.01393	47.2
73.02940	6.9
76.47038	3.2
77.03383	3.5
79.95750	13.3
80.96531	35.4
81.03442	4.1
83.05036	5.9
85.02950	6.1
89.02469	8.1
94.98070	4.9
95.05011	3.4
96.96019	7.7
97.02983	4.9
99.00893	7.6
101.02457	12.2
103.01521	6.4
109.06612	10.4
111.08210	4.6
116.92829	4.3
125.02499	3.5
125.09725	13.3
135.08066	3.2
145.94220	3.6
148.99127	7.5
161.04567	4.4
161.09811	3.6
163.11284	14.2
165.12796	4.4
169.12364	8.6
171.10265	20.4
179.10745	12.1
181.12308	6.3
185.11798	6.5
188.12988	3.6
191.44325	3.7
197.11859	58.5
199.13469	4.5
201.11311	3.9
206.99821	3.9
207.10265	34.2
209.11847	52.4
211.13385	8.7
223.13429	18.2
225.00795	8.3
225.11307	38.0
227.12927	8.2
235.08275	5.2
243.12410	8.5
245.19096	7.7
247.20340	4.7
253.09398	18.0
263.19995	4.9
289.18073	18.6
291.19562	10.2
293.64352	3.3
305.17352	5.2
307.19232	21.6
309.20599	16.5
325.19934	4.1
335.71255	4.2
416.57132	4.6
459.22269	6.2
461.20358	10.0
479.21146	3.8
571.96234	3.7
687.32269	15.2
749.39514	6.9
767.38641	100.0
768.38812	10.6
803.38776	57.8
804.39417	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	803.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	51.5
61.98845	46.0
68.58540	7.7
71.01385	33.5
73.02937	12.3
74.67745	7.0
80.91679	16.4
81.03440	8.8
83.05053	8.3
89.02466	19.9
96.96027	50.1
97.02982	12.5
97.06612	8.5
101.02453	18.4
109.06601	32.8
113.02485	17.7
116.92869	35.6
125.02421	16.0
125.09763	17.6
135.08174	10.8
142.51910	7.9
161.04546	11.0
163.11272	17.7
171.10275	23.6
181.12372	9.8
185.11870	14.4
193.12439	9.5
197.11852	30.1
199.13400	15.8
207.10269	83.9
209.11868	61.7
209.54689	8.3
211.13435	67.1
223.09598	7.8
223.13443	15.9
225.11349	57.3
227.12914	25.5
253.09355	31.8
280.08209	12.0
305.17621	15.0
341.23251	14.5
397.13721	10.2
415.21606	10.9
461.20212	25.0
529.85657	8.2
625.28931	33.1
633.29004	25.7
651.30341	100.0
651.85980	9.2
652.30737	10.4
669.31207	63.8
670.31940	14.6
749.38177	17.8
803.34790	24.2
832.72424	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	803.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.4
61.98835	100.0
69.03436	2.6
71.01376	8.9
71.72029	2.1
73.02942	2.9
78.95903	6.8
80.96510	7.3
94.50278	2.8
94.98115	2.9
103.01530	6.0
104.82507	2.3
123.78358	2.4
125.09669	2.9
159.45587	2.4
163.11195	2.4
171.10310	4.5
208.29086	2.2
208.31218	2.2
209.11948	4.6
223.13362	37.5
239.12915	4.2
253.09221	7.1
289.18152	10.2
300.99896	2.4
307.19107	8.9
381.00189	2.3
474.23575	2.4
803.38922	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	803.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01386	18.2
61.98830	7.6
69.03465	2.4
71.01389	32.3
72.99315	1.4
73.02955	5.8
78.95931	1.6
81.03458	3.1
82.95426	1.4
83.01395	6.2
83.05039	8.8
84.02185	2.8
85.02972	6.1
87.00887	5.1
89.02454	6.6
91.04025	1.8
95.01399	1.7
95.05051	3.5
96.96017	16.5
97.02959	4.7
97.06597	8.9
99.00905	2.8
99.04560	2.0
101.02458	10.0
107.05103	1.1
109.06622	5.7
110.03757	1.7
110.75516	1.4
111.04571	1.3
113.02460	6.1
116.92885	9.1
119.03558	2.1
123.08184	1.6
125.02441	2.2
125.09775	9.2
127.07623	1.6
127.11322	2.3
135.08151	3.1
137.09726	2.1
143.03555	1.5
143.04723	1.2
155.10783	2.9
161.04607	3.4
163.11320	9.8
165.12857	2.5
168.54176	1.1
171.10283	72.5
172.10606	1.7
175.11436	1.3
179.05620	1.3
179.10889	1.8
181.12381	3.7
185.11862	3.5
189.09349	2.1
191.10788	2.7
193.12315	11.9
197.11861	4.4
199.09883	3.1
199.13399	1.6
201.11346	28.5
207.10268	20.7
209.11835	69.8
210.12170	4.6
211.13426	13.8
215.12943	2.0
221.11971	1.4
225.11346	43.8
225.14838	14.8
226.11998	4.6
227.12920	7.1
233.09895	1.3
235.08177	8.6
241.14462	27.2
243.12386	3.9
243.15923	7.3
253.09309	23.1
300.99951	1.3
321.20688	2.9
323.22406	1.4
341.23343	100.0
342.23587	9.2
397.13516	2.9
407.18979	1.5
416.89563	1.3
443.10107	1.4
443.19101	2.6
461.20529	7.0
495.33606	2.7
544.48248	1.2
577.32599	1.8
785.43140	2.9
803.42706	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	29.1
61.98836	70.2
71.01389	29.5
71.41429	4.3
73.02950	5.4
78.95920	4.3
79.95750	18.3
80.96526	55.5
81.03467	6.1
83.01372	4.5
83.05025	9.5
85.02948	3.8
87.00850	4.8
88.98801	2.8
89.02425	8.8
90.66275	2.9
94.98078	12.0
95.04995	4.2
96.96022	16.9
97.02950	4.9
97.06605	5.0
99.00893	6.3
101.02444	12.5
103.00409	4.1
103.01514	6.7
109.06591	12.0
113.02451	10.1
116.92841	6.1
125.09721	9.2
135.08203	4.2
135.33289	3.1
148.59715	2.9
148.99138	3.9
152.98613	5.8
163.11308	15.6
164.98628	9.1
165.12865	5.9
169.12399	5.8
171.10254	33.9
181.12346	11.3
185.11807	5.2
197.11832	13.2
199.09683	3.2
199.13377	4.6
201.11377	8.5
206.99887	4.0
207.10294	34.2
209.11842	100.0
210.12164	3.7
211.13438	6.6
215.12892	8.1
223.13411	7.6
225.00710	12.2
225.11346	39.9
227.12932	16.3
235.08206	5.6
243.12299	5.8
243.17369	3.2
245.19188	4.1
247.20642	3.9
253.09229	26.2
273.17020	4.5
289.18085	15.7
291.19580	19.1
305.17520	4.0
307.19122	7.7
309.20648	23.2
310.21072	4.4
461.19830	7.1
687.32562	7.0
717.22565	3.2
803.39032	50.7
804.39380	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	803.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.54617	0.7
61.98837	13.5
75.00891	0.9
79.94131	0.6
79.95751	1.4
80.96529	1.7
85.00470	0.7
96.96031	2.2
98.21902	2.3
103.00482	10.6
103.01508	79.4
103.56625	0.7
116.89164	0.6
130.47775	0.6
132.79643	0.7
174.02727	0.6
209.12152	1.0
220.96651	0.7
267.31815	0.8
276.20807	0.8
553.19940	1.0
601.36707	0.7
803.39874	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	803.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
61.94060	1.2
61.98825	5.2
70.98426	1.4
71.01382	3.2
82.95428	2.6
84.84144	1.6
87.00896	1.8
89.02447	2.6
101.02448	4.9
101.12859	1.3
106.57723	1.3
111.08157	8.0
113.02469	2.2
119.03528	1.7
123.44204	1.3
165.65547	1.3
167.10739	1.9
177.12881	3.0
179.10751	2.4
179.14429	1.8
195.13947	9.5
223.13361	4.2
235.08301	2.1
247.20673	1.8
253.09261	13.3
275.20206	3.9
291.19662	100.0
292.20038	1.7
293.21228	74.7
294.21542	1.8
308.74597	1.7
350.98618	1.3
527.28864	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	804.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92794	0.4
57.03422	0.4
58.63779	0.4
59.01366	1.6
62.68021	0.4
69.03471	1.0
71.01359	0.9
71.59715	0.4
72.73583	0.3
83.40076	0.4
85.02968	0.9
85.35694	0.3
87.00885	20.9
88.54893	0.4
96.96020	0.8
97.06600	3.0
101.02465	0.8
111.00970	0.4
115.00298	0.5
121.02956	1.7
122.03713	1.0
123.04523	1.4
125.02454	1.1
130.99879	4.6
132.00650	0.5
133.01483	0.4
135.04533	0.7
138.01990	0.9
146.03755	4.3
147.04509	2.6
148.05421	0.6
149.06113	1.5
159.04576	1.0
160.05276	0.5
161.06094	0.7
162.06912	1.1
163.07669	1.7
169.01431	1.2
172.05298	2.5
173.06052	1.6
173.09781	0.5
174.03233	1.7
174.06802	0.8
175.04008	1.9
175.07652	13.7
175.09682	1.1
176.04771	1.3
176.08000	0.6
185.05968	0.6
186.06863	2.5
187.07643	3.4
188.04819	1.7
189.05536	1.9
189.09204	0.7
190.06380	3.3
191.07130	0.5
191.10751	1.1
199.03984	0.4
200.04826	6.6
200.08492	0.6
201.05513	1.0
201.09222	5.4
203.07150	5.3
204.07877	2.4
205.08656	0.5
211.07629	0.4
214.06392	0.8
215.07091	1.2
216.07933	1.0
217.08742	4.3
219.10266	9.6
221.43443	0.4
227.07236	0.5
227.10817	3.0
228.07918	1.3
229.08701	22.1
230.09052	1.0
243.10350	1.0
245.08208	2.5
245.11838	1.5
245.65727	0.4
247.09839	2.3
254.04367	1.3
261.11319	1.1
271.09802	1.7
273.07687	11.2
273.10449	0.8
274.08084	0.6
289.10876	1.6
291.08603	0.8
315.08835	0.4
333.09793	7.1
351.10861	100.0
352.11182	5.7
452.08234	0.6
539.21454	0.8
540.21533	0.7
541.22131	0.6
583.48859	0.4
734.32672	0.5
811.66656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.99262	0.3
71.01380	0.4
78.95904	0.6
79.95733	0.4
80.96513	2.2
94.98084	0.4
135.62898	0.3
225.00801	0.4
285.92117	0.3
341.74365	0.3
471.34906	0.3
472.35153	0.4
649.38489	0.3
699.96375	0.3
805.40771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60461	2.2
69.65258	8.1
69.65632	4.1
98.21944	5.3
122.74150	2.7
123.00895	2.5
128.49651	2.4
154.18199	2.5
161.02361	2.8
173.02435	2.5
185.02383	3.0
190.02678	2.8
201.01906	5.0
218.02158	5.4
228.00768	4.3
229.01424	7.5
242.99150	2.7
243.76558	2.4
245.00871	7.0
246.01418	2.6
247.02663	4.0
248.03194	2.8
249.04105	6.1
257.00940	10.9
258.01563	4.9
270.98834	15.2
271.02249	4.8
271.99649	3.6
272.97763	2.4
273.00415	15.4
273.98541	3.7
274.01233	35.8
275.02020	33.2
287.02142	5.1
288.02426	3.2
298.01443	2.6
298.69229	2.6
298.98309	21.2
299.01938	24.7
299.99173	91.6
300.99911	100.0
302.00247	6.7
313.03433	2.5
317.03134	11.2
329.02982	3.7
341.03116	4.5
419.05936	5.2
437.07184	16.8
462.04651	6.2
463.05286	35.8
481.06305	28.2
625.10327	35.5
643.11420	12.0
805.16888	56.7
806.17151	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	805.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52006	0.9
59.01386	5.3
61.98808	2.6
67.01888	1.5
69.21635	3.8
71.01365	2.8
73.02917	0.9
85.09875	0.8
88.98837	1.0
89.02436	1.6
95.01385	1.4
96.95994	2.0
98.21922	2.1
107.05063	1.1
109.02953	3.9
113.02395	1.5
121.02979	1.3
123.00885	2.8
125.02459	3.9
135.04535	1.2
136.01631	1.0
137.01440	1.6
137.02469	23.7
139.00444	1.0
149.02463	1.8
150.03259	4.6
151.00407	11.9
151.04033	4.1
152.01096	1.0
152.04755	3.7
161.02580	0.9
164.01173	2.1
165.01958	100.0
165.05554	5.7
166.02739	35.4
167.03511	4.2
169.01424	3.7
175.04002	1.0
176.04723	1.3
177.01929	2.2
177.05574	1.8
179.03516	19.9
180.04308	57.8
181.05089	39.6
187.03941	2.9
190.02646	1.3
191.03462	1.5
192.04318	2.5
193.05089	2.2
194.05879	4.5
195.06645	78.1
196.06952	1.3
203.03476	1.0
203.97845	1.0
205.05142	5.4
206.05698	0.8
207.06647	2.5
210.05338	11.0
220.07349	3.4
225.07706	67.7
226.08078	1.3
275.01996	1.4
300.99832	2.4
342.10526	0.9
345.09875	1.6
359.11218	1.7
384.12976	1.0
387.10156	6.0
387.15237	5.7
402.13089	3.6
403.13846	2.1
416.14874	4.2
417.15607	56.7
418.15652	2.3
565.17780	1.3
595.21918	54.4
596.22028	3.0
613.22925	1.2
625.22742	1.5
643.24023	27.0
644.24310	1.5
653.20837	2.5
804.49615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52006	0.9
59.01386	5.3
61.98808	2.6
67.01888	1.5
69.21635	3.8
71.01365	2.8
73.02917	0.9
85.09875	0.8
88.98837	1.0
89.02436	1.6
95.01385	1.4
96.95994	2.0
98.21922	2.1
107.05063	1.1
109.02953	3.9
113.02395	1.5
121.02979	1.3
123.00885	2.8
125.02459	3.9
135.04535	1.2
136.01631	1.0
137.01440	1.6
137.02469	23.7
139.00444	1.0
149.02463	1.8
150.03259	4.6
151.00407	11.9
151.04033	4.1
152.01096	1.0
152.04755	3.7
161.02580	0.9
164.01173	2.1
165.01958	100.0
165.05554	5.7
166.02739	35.4
167.03511	4.2
169.01424	3.7
175.04002	1.0
176.04723	1.3
177.01929	2.2
177.05574	1.8
179.03516	19.9
180.04308	57.8
181.05089	39.6
187.03941	2.9
190.02646	1.3
191.03462	1.5
192.04318	2.5
193.05089	2.2
194.05879	4.5
195.06645	78.1
196.06952	1.3
203.03476	1.0
203.97845	1.0
205.05142	5.4
206.05698	0.8
207.06647	2.5
210.05338	11.0
220.07349	3.4
225.07706	67.7
226.08078	1.3
275.01996	1.4
300.99832	2.4
342.10526	0.9
345.09875	1.6
359.11218	1.7
384.12976	1.0
387.10156	6.0
387.15237	5.7
402.13089	3.6
403.13846	2.1
416.14874	4.2
417.15607	56.7
418.15652	2.3
565.17780	1.3
595.21918	54.4
596.22028	3.0
613.22925	1.2
625.22742	1.5
643.24023	27.0
644.24310	1.5
653.20837	2.5
804.49615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.1
61.98836	58.1
69.31886	6.0
71.01387	19.8
73.02942	1.6
77.06820	1.3
83.01388	1.7
83.92743	1.3
85.02962	5.1
87.00871	1.5
89.02455	12.2
91.40073	1.3
94.06660	1.4
95.01382	1.5
96.96015	1.9
101.02448	11.6
106.06628	4.8
107.03743	1.2
113.02460	6.1
119.03506	4.9
120.08198	14.0
122.06136	18.4
125.02446	2.4
132.04619	1.5
134.06145	25.7
152.07138	6.4
162.83884	1.9
190.05107	4.0
209.11879	1.7
223.08817	3.0
224.09453	2.5
235.08723	1.9
236.09650	2.1
237.10388	4.4
238.11241	2.4
239.11891	5.7
249.06624	2.4
249.10229	2.1
251.08595	2.7
251.11850	8.3
253.13571	1.5
263.08270	4.7
263.11920	1.7
264.09033	9.6
265.09821	6.8
276.09006	2.0
277.09842	5.0
278.10486	3.3
279.11456	25.6
280.12155	3.5
281.13071	2.6
291.11465	6.4
292.12076	3.2
293.12970	2.4
305.09143	2.3
307.10904	2.2
314.12631	2.6
323.10330	3.0
324.10892	2.9
325.12103	2.0
326.13141	1.4
384.17166	3.2
386.19012	2.6
401.21329	1.5
426.17935	2.7
444.19370	2.8
461.19254	1.4
462.20288	3.1
472.18811	5.3
473.19400	1.8
490.19806	6.0
606.24536	2.5
610.23975	2.3
650.23767	10.6
651.24237	10.2
654.79590	1.7
682.26129	15.6
683.26843	1.6
745.31335	1.5
773.30475	100.0
774.30798	9.1
805.33112	51.0
806.33472	4.6
829.92712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90245	2.1
59.01389	25.9
60.87958	1.6
61.98817	7.3
66.58295	1.7
68.91342	1.8
70.23228	1.6
71.01392	10.5
73.02948	2.0
78.95909	2.4
83.05017	3.4
89.02451	4.7
91.07409	1.6
93.03533	2.0
94.83675	2.0
101.02431	3.9
103.01524	10.1
107.05005	2.4
109.06577	4.2
113.02431	2.8
114.57650	1.7
116.92846	5.5
124.20771	1.8
124.70634	1.7
125.09657	4.6
135.08182	4.3
151.07664	2.2
159.64160	1.9
163.11285	5.5
167.31822	2.2
171.10301	16.1
185.11906	3.2
188.62607	2.2
190.32947	1.8
197.11853	7.7
201.29813	1.9
207.10263	14.1
209.11836	100.0
210.12186	5.8
215.83600	2.0
225.11412	10.1
227.12952	20.7
235.08330	3.6
243.17972	2.7
253.09312	11.5
277.18088	3.7
287.16614	6.8
289.18307	3.4
291.84766	2.0
295.19241	2.9
305.17590	32.1
306.17868	2.8
307.19131	3.0
323.18500	9.3
341.23196	3.8
342.23480	3.2
343.23831	2.9
357.71231	1.9
445.20584	2.3
461.20502	3.6
523.25830	3.7
541.26477	15.4
671.32831	4.9
700.32654	2.3
733.37897	9.4
751.39001	19.0
752.39337	6.7
763.28204	1.9
769.40076	9.0
805.37238	12.3
806.37750	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	805.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
61.98835	21.3
63.63551	1.6
64.73421	1.6
69.92927	1.6
71.01382	7.5
71.04696	2.8
71.05061	2.1
79.12537	1.5
83.05045	4.9
85.02962	1.6
87.77012	1.5
89.02438	2.9
93.06364	1.6
95.05031	2.7
100.21796	1.7
101.02463	5.8
109.06596	4.8
113.02504	3.0
116.92854	2.3
125.09766	2.7
130.52438	1.5
135.08165	1.8
163.11327	4.6
171.10275	6.5
185.11766	2.1
197.11859	1.9
207.10252	9.0
209.11844	100.0
210.12206	4.0
215.12802	1.9
223.13365	14.1
225.11354	8.4
227.12881	21.4
235.08238	7.3
235.13536	2.5
237.15036	3.0
253.09286	17.7
263.96445	1.8
287.16507	12.9
289.18130	9.1
305.17648	22.2
307.19025	3.8
309.20691	2.8
327.21814	12.0
366.61853	1.8
459.22360	8.5
461.20261	3.6
540.19507	1.6
545.29517	2.2
730.80023	2.0
752.39105	2.1
769.42969	5.2
805.40692	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	805.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01384	21.0
61.98831	2.4
69.03458	1.8
69.09742	3.1
71.01389	13.8
72.99295	0.5
73.02950	2.3
73.29896	0.4
80.02671	1.4
80.91673	0.5
81.03466	2.5
82.95426	2.0
83.01400	1.9
83.05035	5.3
84.02164	1.1
85.02944	3.5
87.00874	3.6
89.02447	14.5
95.01372	1.3
95.05045	0.5
96.96021	3.0
97.02928	2.2
98.16048	0.4
98.95580	0.5
99.00873	0.9
101.02459	11.8
101.64624	0.4
109.02956	0.4
113.02463	5.8
116.92870	2.9
119.03519	3.8
121.06643	0.4
125.02454	5.0
131.03395	0.4
135.08112	0.6
139.03964	0.5
143.03477	2.5
149.04486	0.4
149.31239	0.4
153.09207	0.6
153.12830	1.0
161.04558	2.7
163.11304	5.1
165.12820	2.6
167.03510	0.4
169.01447	0.5
169.12361	5.7
171.10268	1.9
179.05652	3.4
179.10803	0.8
181.12291	0.5
191.10800	1.1
197.11838	73.4
198.04924	0.4
198.12091	1.9
199.13312	0.7
201.11311	0.9
207.10187	1.0
209.11841	100.0
210.12148	3.7
211.13487	0.5
217.07227	0.6
221.06627	1.2
223.13446	1.2
225.11252	0.7
227.12900	14.5
233.12050	0.4
235.08229	4.1
235.13324	0.5
239.12962	0.6
251.12946	0.5
253.09296	1.2
258.70712	0.4
275.01932	0.5
287.07755	2.0
300.99985	0.7
305.08719	2.1
323.09958	0.5
379.12488	5.5
379.25089	0.4
389.23785	0.5
397.13528	33.5
398.13943	1.6
415.14621	8.5
415.20163	0.6
577.25189	1.4
589.25085	0.8
595.26331	2.0
607.26245	1.8
769.37170	0.9
772.99701	0.4
805.36926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.6
59.58626	3.9
61.98834	100.0
70.90511	5.9
71.01389	29.2
73.02952	5.3
78.95885	4.6
79.95745	4.4
80.96538	17.6
83.05023	9.5
87.62753	4.5
89.02470	8.2
97.06620	4.7
101.02445	7.2
109.06596	29.7
113.02480	4.9
116.92880	6.2
126.85808	5.1
135.08167	8.1
163.11377	21.9
165.12784	7.7
171.10286	9.0
181.12379	8.0
191.01346	4.4
207.10274	84.2
209.11836	93.1
225.11308	61.9
227.12921	25.6
235.08244	7.6
251.32922	4.3
253.09357	16.5
267.64191	4.3
289.18033	7.8
291.19711	39.6
300.27203	4.7
301.00043	5.5
307.19083	21.7
323.22345	12.0
445.21030	9.0
461.20480	22.6
517.56250	5.1
527.28870	8.9
612.35376	4.5
719.40161	6.8
733.37891	5.5
751.39050	13.3
795.25085	5.2
805.40527	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	805.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.3
61.98833	81.4
71.01391	69.0
73.02957	5.8
82.30668	4.9
83.05006	4.6
83.92751	5.0
88.98826	8.5
89.02425	19.7
95.05044	5.7
97.06587	8.7
101.02422	14.4
109.06612	28.8
111.31614	5.0
113.02430	10.5
116.92863	23.7
117.07121	6.1
123.00888	5.0
123.08158	5.5
125.09702	10.4
138.38116	5.5
149.09677	9.6
150.82748	6.8
163.11299	14.7
165.09190	10.0
171.10294	52.7
197.11922	10.1
199.09807	9.1
201.11267	13.1
207.10333	46.5
209.11845	69.5
211.13359	26.5
212.13658	8.3
215.12912	6.0
223.13354	31.5
225.11325	45.5
227.12869	12.7
235.08228	13.8
245.19334	5.8
250.93535	5.5
253.09300	37.7
275.01898	8.0
287.16513	16.4
289.18103	100.0
305.17575	21.8
307.19095	15.5
309.20572	17.6
327.21777	41.5
343.24905	6.7
344.44449	5.6
346.96259	5.1
459.22232	21.5
461.20059	13.1
563.31024	6.4
671.33722	6.3
673.42249	6.5
718.01099	6.8
751.38861	13.1
752.38043	6.3
769.42517	18.2
805.40326	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
58.00616	1.9
59.01387	22.1
61.98840	7.1
69.03484	2.5
70.73988	3.1
71.01386	17.7
80.02655	2.1
82.95417	12.1
83.05036	5.4
85.00451	2.8
85.02957	7.8
87.00887	3.8
89.02446	9.0
92.29502	1.9
96.96004	15.7
97.02986	2.3
97.06644	3.7
99.92605	3.0
101.02442	8.8
109.06598	2.2
113.02466	7.8
115.00392	3.0
116.92875	36.5
117.92911	3.4
125.02467	5.5
127.11324	2.2
132.90060	4.1
133.01474	5.8
135.32774	2.2
161.04584	3.4
163.11295	4.9
165.12808	3.1
169.01451	2.9
169.12367	8.1
171.10275	16.3
179.05638	4.1
183.14037	2.1
191.10844	1.9
193.12276	3.1
196.24924	1.8
197.11844	24.7
199.13449	9.7
201.11343	13.9
207.10251	3.5
209.11842	100.0
210.12242	4.9
211.13419	8.5
219.03090	2.1
225.11340	5.2
225.15118	2.3
227.12938	28.8
229.14478	7.0
235.08234	12.3
253.09261	24.6
271.83801	2.0
291.19580	3.9
300.99933	5.1
309.20737	7.5
327.21802	44.8
341.23337	12.8
351.63562	1.9
397.13498	7.8
435.77646	2.6
445.20856	4.7
512.60297	2.5
563.31256	4.7
607.26263	2.8
625.27441	4.1
769.36127	2.1
773.29144	2.8
805.38232	2.9
819.99432	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	805.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33316	0.8
59.01387	100.0
61.98830	2.0
62.52717	0.8
69.87254	3.5
78.95935	0.9
96.96030	2.6
98.22677	1.2
100.45529	1.0
103.00497	5.2
103.01507	51.6
109.90905	1.0
207.95334	1.3
730.16498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01389	4.6
61.98827	2.6
71.01385	2.7
72.99284	0.5
73.02951	0.5
78.91903	0.3
80.91689	0.4
80.96539	0.4
82.95427	8.1
84.00928	0.5
85.00457	1.7
85.02966	0.9
89.02457	2.5
97.15934	0.3
99.80289	0.3
101.02438	2.8
110.60447	0.3
111.08158	0.6
113.02467	1.5
113.09787	0.5
119.03517	0.8
131.22830	0.3
161.04573	1.2
167.10721	0.3
177.12933	0.4
177.37859	0.3
179.14453	1.2
195.13918	9.6
196.14616	1.5
205.12390	0.8
205.15964	0.4
223.13417	7.1
224.14072	0.5
228.13705	0.5
231.21207	0.4
235.08179	0.7
248.03429	0.3
253.09306	16.0
254.09561	0.4
256.13147	1.1
265.21747	0.5
275.20184	6.9
276.20587	0.5
277.21844	0.4
293.21255	100.0
293.93933	0.3
294.21570	6.1
328.63913	0.4
380.76761	0.4
492.21994	0.6
529.30267	0.9
569.41925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12001	1.1
60.15199	1.0
70.08923	2.1
70.09232	1.3
71.01389	10.2
72.64535	1.0
72.99296	1.8
83.30476	1.0
84.21382	1.1
85.02975	1.2
89.02464	1.9
95.01431	1.2
97.02991	1.1
98.21932	1.4
99.00876	2.2
101.02444	1.5
107.01389	4.7
111.00862	1.4
115.00385	26.7
123.00901	7.3
124.01678	4.6
125.02463	43.3
125.14867	1.3
133.01440	60.4
134.03703	2.0
135.04538	20.8
137.99022	1.2
138.03220	2.1
139.03981	1.4
139.72513	1.2
141.01936	1.3
145.01436	4.8
149.06090	2.0
151.00368	4.0
163.04030	1.2
166.99837	2.7
168.00636	3.4
169.01436	57.9
170.01685	1.3
173.21581	1.2
177.01877	1.7
179.03532	14.7
182.02223	8.5
183.02995	4.7
197.04636	7.2
211.02440	1.3
241.03592	2.6
275.01974	1.9
295.04794	1.5
300.99918	2.5
313.05722	24.0
327.07095	1.3
467.12112	1.3
511.10547	100.0
512.10901	5.5
622.03308	1.5
693.45996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.2
67.01894	0.3
69.03437	0.3
71.01391	2.3
73.02959	0.5
79.01908	0.6
83.01360	0.7
85.02948	1.2
86.54497	0.3
87.00848	0.5
87.51514	0.4
89.02450	1.2
95.01391	1.0
97.02988	0.5
98.22651	0.6
101.02437	1.2
107.01402	2.4
108.59419	0.4
111.00886	0.7
112.89908	0.4
113.02423	1.0
119.03487	0.7
119.05026	1.6
123.00890	10.2
124.01678	6.8
125.02462	11.3
127.00378	0.8
130.80920	0.3
134.03740	0.7
135.04500	0.4
136.98817	0.5
137.02484	0.3
137.06100	0.7
139.00360	1.9
140.01198	1.8
141.01962	1.4
151.00377	7.8
153.01912	0.5
156.03860	0.4
163.04065	0.3
168.00650	2.3
168.99974	0.7
169.01428	13.8
176.97313	0.3
193.05103	1.0
211.02507	2.5
223.02463	0.4
268.65369	0.3
271.04517	2.5
300.99957	0.5
302.40024	0.3
313.05676	1.0
355.10336	0.6
451.12482	100.0
452.12863	6.3
473.10300	0.3
620.15875	0.4
744.46320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71830	1.1
58.87377	1.3
59.01370	1.7
61.98833	5.2
67.20443	1.1
69.87068	3.7
80.72627	1.2
92.90020	1.1
97.17830	1.2
121.02938	1.7
122.03717	3.1
149.02483	3.1
150.03233	15.3
162.03262	1.9
165.01965	11.3
165.05574	11.0
166.02615	1.2
175.04051	10.3
177.05556	2.8
179.03476	1.5
180.04321	8.3
190.06393	4.4
195.06624	15.0
207.06750	1.6
210.06851	2.3
218.05779	6.6
222.05142	2.7
225.07675	7.0
237.05524	1.5
238.06371	4.6
239.74739	1.3
249.05615	1.8
250.06796	1.2
254.05815	3.3
265.05048	3.1
266.05872	7.5
277.04953	2.1
278.05859	12.2
279.06537	5.0
281.04678	2.0
281.08154	4.3
282.05374	4.0
292.07367	1.8
294.05322	3.7
306.05383	12.6
307.06195	9.7
309.04364	2.7
309.07693	3.2
310.04880	3.8
320.06940	3.9
321.07706	34.1
322.04947	2.8
322.08417	9.6
324.06326	3.5
324.09973	1.8
325.07227	25.3
326.07590	1.4
335.09290	4.3
336.10025	16.3
337.07208	31.2
337.10809	3.9
338.07419	1.9
339.08676	8.9
340.09583	20.2
341.10211	1.9
352.09482	6.2
354.11081	5.0
355.11896	58.6
356.12094	3.2
367.11905	100.0
368.12112	6.2
373.12766	1.6
385.13083	1.6
391.21155	1.5
533.17749	1.9
563.19031	3.8
581.20361	2.5
611.21118	8.2
612.21161	1.7
729.25531	5.4
807.28778	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	807.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.6
61.98830	20.7
70.57188	5.0
96.95988	4.9
98.21989	4.5
100.09132	3.4
122.03774	3.4
150.03270	14.1
162.03227	3.5
165.01926	6.7
165.05585	10.6
175.04037	6.8
177.05528	4.3
195.06686	9.5
218.23183	3.5
266.05573	7.1
278.05878	13.6
294.05402	4.0
297.07681	4.6
306.05380	12.7
307.06055	6.1
309.07672	4.0
310.04932	6.4
320.06741	4.5
321.07739	38.7
322.04807	5.0
322.08350	7.5
325.07211	25.9
336.10010	16.1
337.07108	24.4
339.08932	6.2
340.09589	20.2
352.09485	7.5
355.08200	5.4
355.11893	45.7
356.12442	3.8
367.11871	100.0
368.12329	7.3
385.13177	6.8
500.88080	3.5
572.36469	3.9
729.25519	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	807.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01713	0.6
66.65361	0.4
71.01386	9.5
73.02954	9.4
73.03363	0.5
83.01396	2.9
84.89150	0.4
85.02961	3.2
89.02450	3.3
95.01407	0.6
99.00889	0.5
101.02449	10.2
113.02460	4.0
113.03168	0.5
119.03553	1.5
123.17463	0.4
125.02534	0.5
131.03549	1.1
140.20590	0.4
143.03532	0.7
149.04527	2.1
149.83009	0.4
150.03246	0.4
161.04573	4.2
161.28445	0.4
169.01346	0.5
179.05624	0.4
195.06688	0.7
203.05646	0.5
211.17149	0.5
221.06720	1.0
227.28142	0.4
234.50307	0.4
303.14728	0.5
373.22400	4.8
415.23459	3.9
567.21899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
59.01383	19.6
61.98838	10.4
63.57394	1.4
71.01389	39.4
72.99315	1.3
73.02942	3.7
75.00845	1.4
79.85817	1.4
80.02708	2.2
81.03455	2.9
83.01420	3.7
83.05033	4.7
85.02950	4.3
87.00895	3.8
89.02458	5.7
95.05037	2.4
96.96001	2.0
97.02963	6.4
97.06578	2.2
99.00883	4.0
101.02473	9.2
101.91320	1.5
106.54459	1.8
109.02990	2.0
109.06603	25.3
110.03756	2.7
111.04565	3.2
111.08169	12.4
111.37431	2.0
113.02447	3.9
118.31423	1.5
119.03468	1.7
119.78822	1.7
125.09718	3.9
137.09967	1.7
145.05077	2.6
155.10712	1.9
161.04567	5.0
161.09741	3.9
162.33220	1.4
163.11290	14.1
167.10796	2.9
168.11865	1.5
171.10275	9.6
177.09285	2.2
177.12938	3.3
179.10745	8.6
181.12315	5.5
185.11806	2.2
187.09842	2.3
195.13887	10.1
197.11824	5.3
199.09795	1.8
205.08775	12.3
207.08305	2.7
207.10281	55.8
209.11830	15.6
211.13370	2.4
213.11380	2.0
223.09821	18.0
223.13380	9.6
225.11314	32.9
227.12921	2.9
235.08249	6.7
241.10864	3.1
253.09300	20.1
273.18604	2.0
275.02005	2.1
275.20129	7.1
291.19672	100.0
292.20013	3.7
293.21259	44.6
307.19116	2.3
309.20746	2.5
461.20349	7.3
667.33698	3.9
735.39417	2.3
753.41278	2.4
807.41406	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.0
59.99464	2.1
60.99289	2.1
61.98818	8.5
64.47073	1.8
71.01387	5.4
77.80846	1.9
80.67581	2.3
80.96495	3.5
82.95447	2.1
83.05025	3.1
84.95092	2.3
85.02946	2.5
88.98793	11.9
89.02469	4.4
96.96014	4.4
99.92587	5.2
101.02417	2.7
109.06559	2.2
111.40052	2.0
113.02430	2.4
116.92868	42.3
117.92852	3.4
134.89444	8.6
137.02196	1.9
163.11288	3.7
165.12846	2.5
171.10245	6.6
197.11795	3.0
201.11292	2.8
207.10283	3.5
209.11839	100.0
210.12126	2.4
211.13295	3.0
225.11263	3.2
227.12898	19.0
235.08199	5.3
237.15010	2.3
253.09279	10.2
275.02112	2.5
289.17996	5.9
300.99933	3.9
307.19241	15.3
309.20627	2.6
325.20114	11.8
327.21640	3.9
333.21622	2.0
363.99631	2.3
396.03766	2.2
445.20889	5.3
543.27972	5.0
559.81171	2.2
637.31458	2.6
653.31470	3.6
735.39441	5.7
753.40460	5.5
771.41827	5.5
807.39343	27.2
808.39282	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	807.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80561	7.4
59.01375	38.7
61.98831	50.4
69.17072	43.2
71.01385	32.2
71.92863	7.0
77.94388	6.9
80.96494	10.1
89.02454	12.1
97.02958	8.9
101.02440	19.1
109.06574	22.7
111.08159	7.6
113.02453	11.3
125.09707	8.6
137.80838	7.7
151.58781	6.6
163.11319	21.8
169.12378	8.1
171.10312	34.0
181.12410	13.3
185.11902	7.6
189.09286	11.3
192.35814	7.3
196.94109	6.6
197.11903	20.6
199.09715	16.2
201.11320	9.5
207.10269	81.8
209.11870	100.0
211.13426	34.6
212.89348	7.7
223.15300	7.3
225.11330	97.7
227.12885	27.1
235.08127	14.3
243.12524	10.1
253.09370	37.4
289.18109	21.6
291.19675	90.4
293.21191	12.1
294.11298	7.3
300.99844	11.5
307.19116	28.4
309.20761	84.2
310.21118	8.0
341.23260	9.8
360.27292	7.6
445.20767	9.3
461.20087	15.7
475.81763	7.3
535.26178	6.7
699.40753	8.5
713.42059	8.4
717.40070	8.6
721.33429	10.0
735.39319	14.4
753.40497	27.0
771.42792	11.6
807.40503	23.4
834.02905	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	807.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
57.20686	1.8
58.72161	1.4
59.01387	11.6
61.98830	6.2
70.90812	2.0
70.91174	2.6
71.01386	7.4
73.02960	1.4
82.95428	16.8
84.00855	1.4
84.95142	2.9
85.00446	18.0
85.02967	3.1
89.02457	4.1
95.05038	1.7
97.02963	16.8
97.06571	3.5
101.02451	6.4
113.02460	2.1
123.08133	2.4
125.02484	1.5
125.09782	2.2
138.32423	1.5
161.04535	1.7
163.11328	3.0
171.10260	6.0
179.14444	3.1
205.12288	5.0
219.05305	1.4
223.13411	100.0
224.13712	5.1
225.69832	1.4
235.08273	2.1
249.11307	3.0
253.09288	4.8
255.23251	4.3
267.12405	3.7
277.21747	49.6
278.22104	2.6
343.93594	1.6
397.13388	3.0
503.21140	4.1
554.64966	1.5
763.42780	74.1
764.43158	13.1
807.41516	28.3
808.41840	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	807.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.6
61.98838	86.7
69.12550	10.2
71.01384	29.6
80.91704	11.8
80.96519	14.3
85.02932	11.6
89.02455	10.9
98.21876	19.9
101.02433	11.2
113.41212	9.8
115.46150	12.5
125.09695	10.3
171.10277	48.3
175.72701	10.4
197.11836	13.9
199.09813	12.7
207.10300	27.8
209.11844	100.0
211.13400	10.0
225.11314	50.4
227.12950	27.9
253.09366	36.8
291.19681	45.0
293.21222	93.1
297.42612	12.3
309.20773	22.2
368.05423	11.4
383.90015	12.0
397.19693	11.3
485.32730	10.8
569.30365	14.5
807.42896	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70972	0.3
61.98823	0.9
69.59295	1.0
69.59705	0.6
75.17759	0.3
84.14890	0.3
93.03464	4.4
105.03445	0.5
108.02209	0.9
121.02960	5.3
122.03754	18.9
123.04520	1.1
133.02975	1.9
134.03760	0.7
134.89418	0.4
136.01671	2.0
137.02473	1.3
138.03191	0.4
146.03732	0.7
149.02457	16.8
150.03239	100.0
151.00392	1.0
151.03888	3.0
161.06105	0.3
162.03174	0.8
164.04808	3.3
165.05582	96.3
166.02722	3.7
166.05919	2.3
177.01987	0.5
177.05623	0.7
179.07159	3.9
180.04297	6.1
181.05089	5.2
191.52596	0.3
193.05089	0.9
194.05586	0.3
195.06638	75.6
196.06961	1.5
219.06709	0.5
311.44669	0.4
376.73514	0.3
387.10480	0.3
387.14697	2.7
403.13925	0.4
417.15576	8.2
418.15546	0.5
471.16409	0.4
510.53061	0.4
565.20715	3.5
595.21942	0.8
613.22900	2.8
761.27405	0.9
809.29883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92153	0.4
93.03467	4.6
93.98795	0.3
95.01423	0.4
95.05022	0.6
97.80367	0.3
105.03468	0.7
108.02213	0.6
109.02927	0.8
112.72616	0.3
121.02977	5.6
122.03757	17.8
123.00912	0.4
123.04543	1.2
124.01668	0.7
132.02226	0.4
133.02972	1.7
134.03749	0.9
135.04526	0.7
136.01678	3.3
137.02449	2.6
138.03177	0.4
146.03775	0.8
149.02464	17.4
149.06085	1.0
150.03244	100.0
151.00397	1.4
151.04056	7.0
152.04715	1.2
161.06113	0.4
162.03217	0.5
164.04796	4.2
165.05589	97.4
166.02742	4.1
166.05893	3.1
167.03516	0.8
177.01848	0.4
177.05595	0.8
178.02621	0.4
179.03625	0.3
179.07155	4.4
180.04311	6.9
180.59790	0.3
181.05084	6.1
191.03526	0.7
195.06647	61.9
196.06932	2.2
200.47708	0.4
205.05067	1.4
219.06639	0.8
220.07387	1.1
221.08334	0.4
225.07813	0.5
315.08734	0.4
329.10287	0.5
333.99078	0.3
357.13620	0.4
373.12949	0.5
387.10464	0.8
387.14792	2.6
402.13168	0.6
402.54230	0.3
403.13879	0.4
417.10526	0.6
417.15625	7.6
418.15991	0.4
464.07025	0.3
471.16592	0.5
541.54352	0.4
565.20801	10.3
566.21033	1.3
595.21973	1.7
613.23120	3.3
667.23926	0.7
713.26062	0.7
743.26428	1.0
761.28076	0.7
791.29419	0.4
809.29889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.8
61.98846	1.9
69.42572	2.2
71.01391	0.7
76.74698	0.5
79.05964	0.5
85.85571	0.5
93.03487	4.1
95.01396	0.7
95.05035	0.7
96.96071	0.8
98.22660	0.8
103.00397	0.8
103.01511	0.9
108.02222	0.7
109.02972	2.0
116.92879	4.9
121.02974	6.1
122.03751	15.2
123.00926	0.7
123.04537	1.8
124.01666	0.7
125.02452	1.4
126.50360	0.6
132.02214	0.7
133.02991	2.3
134.03743	2.9
135.04552	0.9
136.01683	5.3
137.02460	4.9
138.03322	0.6
145.02959	1.5
146.03751	1.8
147.04549	1.4
148.01736	0.7
149.02464	27.9
149.06097	3.1
150.03239	100.0
151.00400	1.9
151.04021	16.9
152.01154	0.9
152.04744	1.7
161.02469	0.9
161.06131	0.8
162.03218	1.3
164.04797	5.7
165.05585	85.2
166.02727	5.1
166.05948	1.3
167.03465	0.8
169.01428	0.7
175.04036	0.7
177.05597	2.0
179.03499	0.9
179.07153	7.4
180.04292	5.5
181.05077	6.7
187.04018	1.1
193.05089	0.8
195.06642	44.9
196.07033	1.1
205.05064	2.0
207.06798	0.6
209.11856	2.6
215.38078	0.5
219.06618	1.9
220.07365	1.5
249.04036	0.8
275.02042	1.3
300.99820	1.1
315.08896	0.5
359.35852	0.5
387.10297	0.7
387.14523	1.9
390.02139	0.6
391.53265	0.5
401.12070	0.6
416.14709	1.3
417.15634	8.8
417.21042	0.4
417.56110	0.7
424.70325	0.6
535.16321	1.0
550.17767	0.8
551.18384	0.6
564.19775	2.3
565.20850	20.3
566.21021	1.0
581.07495	0.6
595.21417	2.4
613.22839	3.8
615.31342	0.6
619.21399	1.6
667.23688	0.6
713.26007	8.5
743.27106	2.9
761.28516	2.4
773.28424	0.7
791.27954	0.7
809.29980	3.0
821.94043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.78587	0.6
71.01391	8.0
73.02608	0.8
73.02955	4.2
75.77508	0.6
83.01407	1.5
85.02969	2.4
89.02473	2.2
95.01385	0.9
96.96009	0.9
101.02447	4.3
103.00400	0.6
113.02462	3.3
119.03472	1.1
125.02508	1.8
155.10788	4.5
161.04657	2.2
169.01532	1.3
169.34206	0.8
176.01277	0.6
177.17851	0.7
227.16545	5.6
228.74188	0.7
279.68423	0.7
289.13107	1.0
300.99994	1.7
320.49362	0.7
370.83667	0.8
371.20901	3.4
389.22113	2.7
431.22894	15.9
431.28262	1.1
432.23441	1.2
461.45944	0.8
602.58832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01724	0.5
61.98840	0.6
69.11838	0.6
69.12251	1.3
71.01409	0.4
75.00881	2.0
75.12993	0.4
77.07368	0.3
78.28863	0.3
82.23444	0.3
85.00427	0.3
88.98830	0.8
89.05920	0.3
96.96027	0.6
98.22597	0.8
102.62632	0.3
103.00425	22.8
103.01503	59.7
116.92863	2.4
117.92903	0.5
118.92645	0.3
125.02470	0.5
134.89452	1.1
141.40414	0.3
150.03246	0.6
165.05576	0.7
169.01428	0.6
171.10181	0.4
195.06691	0.4
209.11832	2.7
217.45071	0.3
227.12897	0.3
228.94118	0.3
229.01291	0.3
274.36328	0.3
275.01819	0.5
299.99011	0.4
300.99835	0.8
336.40439	0.3
425.77548	0.3
729.27008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.6
61.98845	3.6
71.01392	2.5
73.21882	1.3
78.51563	1.6
80.26913	1.4
83.05037	3.1
86.40083	1.4
87.00905	2.5
88.98818	4.1
92.85033	1.4
95.48721	1.5
96.96053	1.5
98.21896	3.5
100.70861	1.3
101.02467	2.7
103.01513	4.0
103.66030	1.6
105.01957	1.9
116.92883	6.6
119.03533	2.1
136.89207	2.2
161.04599	1.6
169.49217	1.4
171.10193	3.7
179.82054	1.5
199.79817	2.0
209.11853	100.0
210.12022	2.9
211.13290	6.9
224.59114	1.5
227.12892	24.2
229.14433	6.3
235.08199	17.1
239.16525	1.4
245.87280	1.5
253.09296	30.6
291.19745	2.2
301.00165	2.2
307.92944	1.4
309.20755	10.7
327.21802	80.3
328.22238	5.2
445.20782	10.8
463.22086	1.6
509.85464	1.4
545.29626	8.3
563.31018	10.0
732.53851	1.8
755.42676	3.5
773.44366	1.6
809.41095	35.1
810.41364	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	811.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.8
70.74171	0.9
79.89503	0.7
89.35911	0.8
93.03473	5.3
94.60619	0.6
95.01391	0.9
108.02216	1.0
121.00226	0.7
121.02962	7.1
122.02888	1.6
122.03750	18.4
122.04641	1.0
123.04485	1.2
124.01678	1.8
125.02512	1.0
132.02173	1.5
133.02951	2.8
134.03793	3.3
135.04553	1.1
136.01688	9.5
137.02475	1.2
138.03209	1.6
145.02911	0.9
146.03755	1.8
147.04538	2.0
149.02461	26.9
149.06114	4.1
150.03242	100.0
151.04028	26.6
152.04842	0.7
161.02415	0.8
161.06149	1.2
162.03261	2.9
163.04053	2.2
164.04823	7.3
165.01910	2.2
165.05582	85.8
166.05940	2.0
175.04016	3.3
176.04796	0.9
177.05655	2.8
179.03441	1.0
179.07147	4.6
180.04308	7.2
181.05098	2.0
188.04846	0.8
189.05602	2.1
190.06418	3.3
191.03592	1.2
191.07166	1.7
192.04298	1.5
193.05099	0.9
194.05827	2.3
195.06644	44.4
196.07039	1.9
205.08737	3.1
207.06648	2.5
208.07393	3.0
222.08940	2.3
225.07738	1.3
271.87827	0.8
299.09290	0.9
313.11090	0.8
314.07932	1.3
328.09305	1.0
329.10419	2.3
341.10306	2.6
343.11859	1.6
344.12732	3.0
353.13898	1.0
358.14276	1.2
359.14990	6.0
370.13892	1.0
371.14951	3.2
373.08624	0.7
373.12738	3.7
374.13638	0.9
375.14355	1.3
387.14203	0.9
389.16095	8.9
403.14383	0.9
421.15085	1.0
436.77490	0.7
524.18781	0.8
537.21552	8.3
567.22437	12.8
585.23730	3.1
597.23584	1.5
614.23724	2.2
615.24097	3.4
621.24341	0.9
669.25537	1.5
715.27606	8.1
716.27875	0.8
745.29077	3.0
763.29553	3.9
801.97302	0.8
811.32013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
59.47813	0.6
60.99324	0.6
69.41692	2.9
75.00822	0.7
87.00838	0.6
88.98832	0.9
93.03474	4.5
95.01401	0.9
96.96021	0.9
98.21887	1.1
99.92590	0.9
103.00356	2.1
103.01477	0.8
108.93682	0.6
109.02980	0.7
113.14243	0.6
113.15038	0.6
116.92867	5.4
117.92881	2.6
118.92656	0.8
121.02980	5.2
122.03749	17.0
123.00882	0.9
123.04501	1.0
124.01676	1.0
125.02453	2.6
133.02966	1.6
134.03758	1.3
135.04520	0.8
136.01686	3.2
137.02478	1.9
145.02989	1.7
147.04533	1.0
149.02458	18.7
149.06076	1.0
150.03239	100.0
150.77310	0.6
151.04068	8.3
160.01695	0.9
162.03223	0.8
163.04007	1.3
164.04807	4.4
165.01920	4.3
165.05585	91.8
166.05914	2.5
169.01425	2.3
175.04036	1.5
176.04753	0.9
177.05579	1.0
179.03514	1.7
179.07123	3.4
180.04298	8.9
181.05046	0.8
181.48688	0.6
188.04813	0.9
189.05511	1.3
190.06371	2.1
191.03564	1.4
191.07124	1.4
193.04994	1.0
194.05850	1.3
195.06642	68.2
196.06972	2.4
205.08725	1.5
206.05933	0.8
207.06633	1.4
208.07506	1.5
209.11850	1.4
220.09840	2.0
222.08975	1.2
225.07643	3.9
270.08929	0.9
274.01108	0.9
275.01904	3.0
285.11346	1.4
298.08444	0.8
300.99979	3.1
311.09232	0.8
314.08087	1.5
329.10303	4.3
341.10336	4.4
344.12686	5.6
345.13266	1.1
356.12625	1.7
359.15036	12.0
360.15451	1.2
371.15149	8.6
373.12857	1.9
375.14594	0.9
389.16058	10.2
419.16681	0.8
421.15067	1.1
537.21979	4.1
538.21619	0.9
567.22430	11.9
568.22461	1.9
585.23413	3.4
597.23694	0.9
613.22675	0.8
615.24445	5.0
685.38019	0.8
715.27429	0.8
763.29633	2.1
811.32202	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	812.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
61.98835	100.0
69.93953	0.4
82.00146	0.2
82.58034	0.2
85.00439	0.3
103.01531	0.3
107.34386	0.2
109.49753	0.2
116.92949	0.2
185.48428	0.2
209.12035	0.2
229.76303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.08
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97243	3.3
73.93992	3.6
123.00850	3.7
145.03009	5.8
147.04509	3.5
157.03053	3.5
161.02435	3.7
173.02519	7.4
184.12621	3.6
185.02408	8.1
187.51982	3.3
189.01877	6.8
201.02002	4.0
213.01991	11.7
216.00676	5.9
217.01512	8.6
229.01450	15.7
231.03018	10.4
237.05478	4.4
241.01364	18.2
249.04083	12.7
257.01010	11.0
258.01743	7.8
258.15521	4.4
259.02432	5.4
259.99808	6.7
261.00320	7.6
269.00964	21.2
273.00494	11.6
275.01895	22.3
285.00348	14.3
287.01944	3.8
297.00482	22.0
298.98297	7.1
299.99106	4.7
300.99963	100.0
301.03421	3.7
315.01486	12.5
328.99475	5.8
329.03049	7.8
331.00952	7.0
340.99448	35.5
346.98627	4.0
373.02069	5.9
421.04282	25.3
451.04800	3.7
813.07825	9.8
828.40454	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	813.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
65.53011	0.6
69.73528	2.3
83.01633	0.6
85.02975	0.7
89.37146	0.7
95.01390	1.4
101.03995	0.7
109.64131	0.7
117.03458	2.2
119.05012	1.0
123.00898	3.5
125.02454	3.2
129.03520	1.6
132.93593	0.8
133.02980	2.6
137.02570	0.9
141.01875	0.7
143.01440	0.9
145.02979	6.2
147.04536	4.3
154.58003	0.7
157.02965	2.5
158.74092	0.7
159.04533	2.8
161.02406	4.6
163.03957	4.5
165.01906	0.8
169.01418	2.3
169.02837	1.0
171.00902	2.5
173.02443	10.1
175.03981	3.5
177.01939	6.5
179.03574	1.0
185.02480	5.4
189.01913	5.8
190.02731	2.7
191.03485	5.1
194.99255	0.8
199.00389	1.8
200.01132	1.3
201.01962	12.9
202.02586	0.9
203.03534	7.7
213.02049	1.6
214.99814	1.9
215.03630	0.8
216.00600	1.0
217.01427	7.9
219.02995	2.0
221.04529	1.2
226.99922	5.2
228.00803	1.5
229.01434	16.3
230.02176	1.9
231.03000	5.5
235.02509	1.0
242.99342	2.0
244.00070	1.7
245.00932	15.8
247.02496	7.1
249.04027	5.6
254.99335	2.1
257.00912	11.0
258.01678	3.9
259.99741	1.1
261.00406	1.2
270.98819	5.3
271.99655	0.8
273.00446	17.3
274.01028	1.8
275.01987	41.2
276.02267	2.2
282.02078	0.8
283.99631	3.2
291.01453	3.6
298.98358	9.5
299.99109	6.4
300.99930	100.0
302.00235	2.9
316.99304	1.2
319.00949	1.1
406.74939	0.8
461.03644	2.3
463.05692	1.1
491.08401	1.2
631.43732	0.7
745.03668	7.3
753.06183	1.1
763.04193	8.2
781.05365	14.3
813.08002	14.5
814.07550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
65.00310	0.4
78.77232	0.5
95.01389	1.5
101.03925	0.7
117.03439	0.9
119.05051	1.4
121.02877	0.5
123.00887	2.9
124.01675	1.0
125.02448	2.7
129.03482	0.8
133.02930	0.9
135.04501	0.8
145.02956	4.9
147.04524	2.2
149.02408	1.3
157.02943	1.5
158.03760	0.6
159.04546	2.5
161.02452	3.4
163.03996	2.6
165.01906	0.6
169.01442	1.5
172.01662	0.7
173.02451	5.8
175.03981	4.1
176.01239	0.7
177.01936	1.5
185.02519	3.9
187.04034	1.1
189.01984	4.9
190.02695	1.8
191.03482	4.2
199.00406	1.3
200.01184	1.3
201.01967	7.7
202.02704	1.1
203.03523	7.3
205.01448	1.2
213.02005	0.9
214.02754	0.8
216.00636	1.8
217.01419	6.1
219.03020	2.5
221.04544	0.8
226.99933	2.2
228.00685	1.5
229.01439	14.3
230.02057	1.2
231.02986	7.0
242.99344	1.0
244.00107	1.7
245.00925	14.9
246.01344	1.0
247.02495	6.1
249.04044	7.9
249.06490	0.8
257.00940	9.6
258.01648	3.2
259.99680	0.6
261.00494	1.1
270.98929	3.6
273.00436	19.9
274.01065	2.4
275.02002	32.7
276.02429	1.7
283.99597	2.5
290.00647	0.7
291.01474	3.7
292.01974	0.6
298.98410	6.2
299.99091	4.4
300.99924	100.0
302.00320	4.7
316.99420	1.4
319.01062	0.9
357.35492	0.6
385.11368	0.9
405.78690	0.5
436.28223	0.6
443.03369	1.0
461.03528	0.8
463.05148	1.8
479.04623	1.1
541.22894	1.6
745.03046	3.0
763.04327	3.1
781.05542	7.1
782.05634	1.3
813.07947	10.4
814.08954	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	813.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	22.3
71.01358	5.3
80.74312	5.3
88.66513	5.1
94.26698	5.3
123.00858	5.5
125.02514	9.7
149.02463	6.2
150.03238	20.1
165.05557	17.8
175.04051	10.8
190.06285	10.0
195.06599	11.2
207.24583	8.2
218.05826	10.0
222.05362	7.6
321.07684	20.9
322.08276	8.1
325.07132	11.4
336.10236	7.5
337.07074	15.7
338.07901	5.9
339.08902	27.0
340.09348	11.2
343.11649	6.6
352.09641	10.4
352.99811	6.5
354.10666	8.0
355.11911	38.3
367.11853	100.0
368.12723	6.3
513.64966	6.1
581.20343	10.8
618.46222	6.6
699.24457	25.0
729.25616	43.5
777.27277	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42203	0.4
58.56196	0.5
59.01354	0.5
60.99313	16.9
61.98833	0.8
66.03204	0.4
66.09410	0.5
70.19172	0.4
70.98772	0.8
76.52586	0.5
85.00451	1.2
86.83189	0.4
87.00880	1.6
88.00402	1.0
88.98814	100.0
89.02451	16.5
89.03011	0.6
89.99159	0.4
96.95990	0.4
97.05054	0.4
98.73246	0.4
126.37379	0.4
127.62534	0.4
209.11903	3.0
214.24225	0.4
220.17621	0.5
264.24738	0.5
272.45599	0.5
277.21756	1.9
414.29541	0.7
532.24957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48595	0.1
61.98833	100.0
63.44057	0.1
63.65906	0.1
70.76227	0.1
71.01372	0.4
78.95925	0.2
80.96523	0.3
91.15323	0.2
169.01413	0.2
179.59781	0.2
207.10298	0.2
209.11861	0.9
210.12308	0.4
211.13448	0.7
253.09369	0.3
275.02097	0.4
291.19742	0.4
293.21292	0.2
301.00076	0.6
301.99692	0.2
309.20850	0.3
390.02927	0.2
518.54718	0.2
814.27850	0.3
814.49890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.43276	0.2
61.98834	100.0
69.15595	1.3
72.99348	0.2
73.42612	0.2
78.95958	0.3
80.96513	0.4
81.92049	0.2
96.95995	0.3
125.02438	0.2
130.99629	0.2
149.56050	0.2
152.53485	0.2
182.82402	0.2
203.55374	0.2
301.00085	0.5
702.35248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83522	0.2
61.98833	100.0
66.60355	0.2
71.01386	0.3
75.00867	1.4
80.96507	0.3
81.23457	0.2
125.02512	0.3
169.01462	0.2
176.45126	0.2
195.07265	0.2
203.61896	0.2
205.89777	0.2
209.11755	0.2
211.13493	0.2
223.13577	0.2
275.02069	0.4
300.99997	0.8
333.96768	0.2
390.02246	0.4
424.53741	0.2
452.82620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66165	3.1
71.01350	0.8
74.36266	0.7
119.05047	1.5
123.00893	1.9
125.02422	1.3
129.03462	1.0
133.02980	1.2
138.55411	0.8
145.02957	4.1
147.04506	3.0
157.02907	2.7
159.04533	2.0
161.02458	1.4
163.04007	2.8
173.02434	4.4
174.03174	1.3
175.04001	3.8
177.01945	2.0
185.02513	6.0
187.04195	1.1
189.01891	2.1
190.02724	2.0
191.03520	3.2
200.01099	0.9
201.01967	7.5
203.03531	8.0
207.03050	0.9
213.02020	1.6
217.01430	1.9
219.02975	2.7
226.99815	1.8
229.01451	18.6
230.02063	1.9
231.03018	6.4
232.03299	1.2
244.00058	0.8
245.01041	4.2
247.02492	3.5
249.04068	5.4
257.00916	16.3
257.06995	0.8
258.01660	6.4
262.27539	0.8
273.00305	2.2
274.01129	2.0
275.02014	54.1
276.02374	2.3
283.99664	5.0
299.99106	4.3
300.99921	100.0
302.00372	5.3
319.01117	0.9
341.83414	1.1
421.04269	0.9
435.50247	0.9
435.78827	0.9
453.20453	0.9
481.06360	2.6
500.78339	1.0
561.94971	1.0
649.66986	1.0
783.07056	16.3
784.07227	2.8
815.09515	28.4
816.10132	3.2
822.40057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01384	100.0
60.01727	0.7
61.89027	0.2
69.53361	0.7
71.01386	6.3
72.81866	0.2
73.02950	3.6
83.01389	1.5
83.05033	3.1
85.02958	5.5
87.00876	0.5
87.08239	0.3
89.02457	0.6
95.01455	0.4
97.02988	0.4
99.00871	1.1
101.02454	8.6
113.02455	3.1
115.07674	0.5
120.91135	0.3
123.08184	0.3
125.02523	0.4
129.01973	0.3
143.03545	0.3
159.03078	0.7
159.10287	3.4
161.04575	3.3
249.13461	15.5
250.13889	0.6
283.17081	0.5
291.14520	13.5
292.14917	0.6
301.18286	0.9
319.19211	1.2
335.17328	0.9
402.79636	0.2
472.11035	0.2
474.09125	0.3
479.30222	8.8
480.30960	1.1
723.37054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	72.4
61.98836	22.8
63.91912	1.0
69.03458	1.6
69.10608	4.5
69.11015	2.2
71.01018	2.0
71.01389	26.6
72.99323	3.6
73.02952	18.5
83.01400	3.0
85.02969	13.9
86.00101	1.6
87.00885	12.6
87.04524	6.3
89.02455	20.9
95.01397	2.1
96.96042	5.8
101.02460	24.4
101.92713	1.0
103.04020	6.3
113.02456	11.3
115.04026	13.3
119.03526	9.3
125.02457	2.9
128.38164	1.1
131.03513	10.9
143.03528	12.9
145.05074	3.1
161.04553	1.3
163.04115	1.2
163.06133	12.6
169.01424	1.6
205.07149	10.6
213.56973	1.0
247.08170	5.1
399.42877	1.1
476.28180	1.1
537.43292	1.1
609.36450	3.3
719.04932	1.1
755.42291	100.0
756.42108	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	815.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01384	100.0
60.01727	0.7
61.89027	0.2
69.53361	0.7
71.01386	6.3
72.81866	0.2
73.02950	3.6
83.01389	1.5
83.05033	3.1
85.02958	5.5
87.00876	0.5
87.08239	0.3
89.02457	0.6
95.01455	0.4
97.02988	0.4
99.00871	1.1
101.02454	8.6
113.02455	3.1
115.07674	0.5
120.91135	0.3
123.08184	0.3
125.02523	0.4
129.01973	0.3
143.03545	0.3
159.03078	0.7
159.10287	3.4
161.04575	3.3
249.13461	15.5
250.13889	0.6
283.17081	0.5
291.14520	13.5
292.14917	0.6
301.18286	0.9
319.19211	1.2
335.17328	0.9
402.79636	0.2
472.11035	0.2
474.09125	0.3
479.30222	8.8
480.30960	1.1
723.37054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.6
61.98813	4.6
62.42986	1.5
70.64392	2.7
71.01381	10.0
78.95912	3.0
78.98603	8.4
79.95747	17.6
80.96526	100.0
85.02945	4.6
87.00877	3.1
94.98092	23.7
97.02898	2.0
101.02441	3.1
106.98101	4.1
122.97593	5.1
125.02413	3.5
132.29996	1.3
134.97572	5.8
136.99150	1.7
141.01720	15.6
143.99168	3.4
148.99147	9.7
152.48006	1.3
152.98627	5.7
164.98660	15.1
165.92755	1.7
206.99713	2.7
214.45743	1.4
223.02011	2.7
225.00740	18.3
255.23328	2.2
277.21753	2.1
305.02249	3.8
387.02393	1.8
393.61786	1.5
456.07263	1.4
559.25403	2.5
695.89337	1.5
815.49908	99.9
816.50110	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	816.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16070	0.1
61.98834	100.0
69.13204	0.8
69.41566	0.1
76.16624	0.1
78.80998	0.1
80.91653	0.2
105.63411	0.1
116.48575	0.1
169.01477	0.2
201.40590	0.1
209.12074	0.1
230.63242	0.2
300.99911	0.2
301.85223	0.1
319.09396	0.1
320.47549	0.1
328.25250	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	816.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.98834	100.0
65.90829	0.1
71.01387	0.3
72.00688	0.2
73.87019	0.1
75.00924	0.2
79.95743	0.3
80.96515	0.7
88.98841	0.2
104.73450	0.1
125.02378	0.2
209.11942	0.4
225.00990	0.2
229.16153	0.1
300.99982	0.2
420.93719	0.2
477.73416	0.1
816.37433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91284	0.2
61.98835	100.0
62.98549	0.2
75.49188	0.1
97.08108	0.2
115.54576	0.1
130.85283	0.1
154.14716	0.1
222.28706	0.1
263.37866	0.1
318.83438	0.1
387.36737	0.1
402.19870	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	816.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98833	100.0
62.98530	0.1
69.89552	0.4
80.96524	0.3
82.85310	0.1
121.87846	0.1
141.01706	0.9
152.57503	0.1
209.09229	0.1
269.97736	0.1
287.87564	0.1
397.13525	0.2
638.48108	0.1
724.40106	0.1
817.36926	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	817.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
59.67047	1.0
61.44901	1.2
68.42505	1.0
70.69064	1.3
71.62167	1.1
72.99326	1.5
87.00891	1.9
93.03477	1.3
107.05047	13.4
108.02209	1.3
109.02964	3.7
117.03463	2.0
121.02972	3.4
123.04510	1.8
125.02470	18.8
131.70929	1.3
133.06651	6.8
135.04575	2.1
137.02470	3.0
145.02972	1.3
147.26648	1.3
149.06107	22.2
151.03973	2.4
161.02452	5.7
163.04013	1.7
165.01945	1.4
172.67975	1.3
177.05585	20.1
179.03511	32.0
187.04015	1.6
195.06650	2.9
200.39787	1.3
203.07127	3.1
229.04932	1.6
239.05632	100.0
240.05965	3.7
245.04472	1.5
247.02434	2.1
255.02983	2.0
256.03821	2.0
271.95898	1.5
273.04242	1.3
287.05765	2.2
289.07230	13.2
300.99960	3.2
306.86069	1.4
372.75861	1.2
407.07727	18.3
425.08786	16.6
451.10321	3.7
462.19968	1.2
577.13586	9.1
743.73682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01120	0.8
59.01389	9.0
59.44337	0.5
61.98831	2.7
65.76236	0.6
67.01891	0.9
71.01382	5.7
73.02936	1.6
75.00874	1.7
79.01884	0.6
81.03471	0.6
83.01397	1.1
83.05035	1.1
84.16445	0.6
85.02958	2.4
87.00903	0.9
89.02459	3.3
95.01382	1.6
96.96021	4.1
97.02962	1.1
101.02467	3.6
107.01398	3.4
111.00918	1.0
113.02452	2.0
119.03486	1.1
121.03029	0.6
123.00901	10.6
124.01681	7.0
124.12767	0.5
125.02459	16.8
136.98845	0.9
139.00418	1.1
139.03973	0.5
140.01161	1.6
141.01939	1.8
145.01500	0.5
145.46521	0.8
151.00397	8.1
155.97429	0.5
159.02959	0.8
163.11304	1.2
168.00609	2.6
169.01439	26.1
177.04037	6.0
179.05681	1.0
207.10179	0.6
209.11858	22.4
210.12166	1.1
211.13329	0.9
227.12895	2.0
299.99149	0.5
300.99921	0.9
313.05740	1.2
329.05170	1.1
355.85788	0.7
379.12625	1.0
390.02222	0.7
397.13568	4.8
415.14752	1.0
419.24426	0.6
441.17682	100.0
442.18118	8.8
507.45419	0.7
584.90656	0.6
757.43341	0.7
776.04181	0.7
799.37701	1.7
817.38318	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	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98837	7.7
66.39364	1.0
70.50499	1.5
70.56228	1.0
71.01395	3.2
71.36304	1.2
74.94065	0.9
80.96529	1.2
89.02457	1.6
96.99348	2.5
98.22559	1.5
101.02425	2.9
113.02448	1.5
123.32523	1.1
141.01715	54.4
185.10156	1.0
276.28729	1.0
277.21674	5.9
298.08426	1.1
359.21814	5.6
397.13638	11.0
415.14691	2.1
419.11539	2.4
437.12943	3.9
496.19601	1.2
586.25763	1.2
595.10846	1.2
623.17487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01382	16.2
61.98834	17.1
69.03435	0.8
71.01384	10.4
72.99347	0.4
73.02949	2.3
79.95714	0.5
80.02666	0.6
80.96507	1.5
81.03478	1.2
83.01392	2.2
83.05038	4.4
84.85318	0.4
85.02966	2.7
87.00893	2.7
89.02452	8.3
93.03477	0.5
95.01396	0.9
95.05038	0.4
97.02948	1.8
97.06602	0.4
99.00881	0.5
101.02451	8.5
109.06577	0.6
111.00902	0.4
113.02459	4.6
116.92868	2.2
119.03532	2.6
123.00862	0.5
125.02453	4.5
125.09712	0.4
126.90376	0.5
135.08188	0.4
143.03510	1.9
149.97485	0.4
161.04524	2.5
163.11307	3.2
165.12874	1.2
168.44067	0.4
171.10269	0.6
179.05583	2.5
179.10707	0.9
191.10796	0.8
197.11824	3.5
207.10268	1.0
208.19992	0.5
209.11841	100.0
210.12196	2.4
211.13403	0.9
217.07126	0.5
221.06525	0.6
223.13452	0.7
225.11349	1.7
227.12909	7.4
235.08218	4.0
241.14493	1.0
253.09270	0.8
273.17026	1.6
275.01892	0.6
287.07773	0.8
291.19705	0.4
300.99814	1.6
305.08759	1.2
312.87363	0.4
323.09854	0.9
325.20151	0.9
379.12524	3.9
382.02518	0.4
397.13531	23.4
415.14627	5.7
470.23871	0.4
595.47235	0.4
607.26349	1.3
701.33960	1.4
789.56158	0.4
799.40051	1.2
817.37598	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	817.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.6
59.01385	35.8
69.03460	1.0
71.01388	35.5
72.99313	1.0
73.02956	16.1
83.01390	4.4
85.02959	22.6
86.00127	1.5
87.00882	4.2
87.04510	1.2
89.02456	8.5
93.03445	1.1
95.01400	3.2
96.95969	0.7
97.02977	1.2
98.22679	1.6
99.00889	3.6
101.01799	1.3
101.02454	24.7
103.04007	1.9
109.02938	0.8
111.00872	1.1
113.02457	13.7
115.04045	3.0
119.03498	2.3
121.02967	1.2
122.03747	2.7
123.00909	0.7
125.02452	1.9
131.03496	2.0
136.01642	2.3
137.02405	2.1
143.03499	2.3
143.10770	4.1
145.04997	1.7
149.02449	2.2
150.03239	12.7
151.00348	1.2
151.04008	2.3
155.74945	0.6
159.03004	2.4
161.04573	6.6
163.06107	3.2
165.01962	9.1
165.04323	1.0
165.05588	13.1
166.02699	3.7
169.01379	1.1
170.79225	0.6
179.03534	1.9
179.05632	0.7
180.04253	5.3
181.05096	3.9
195.06636	20.9
196.06978	1.3
205.07159	2.3
210.05368	0.9
225.07780	4.1
247.08319	1.0
251.14366	0.7
267.17505	1.5
271.17117	0.7
272.02905	0.7
357.13559	0.9
358.25119	0.6
387.14682	5.4
388.14868	0.8
403.13956	0.9
413.30777	1.0
417.15567	3.9
418.15903	0.7
431.31757	1.0
449.32669	1.9
461.20230	1.1
502.73224	0.7
565.20752	6.1
566.20898	0.7
593.37134	1.0
611.37970	23.9
612.38531	1.2
613.22876	2.7
739.42169	1.2
757.43805	100.0
758.43945	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	817.46
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	76.1
59.65024	1.7
61.98838	4.7
67.49857	1.8
69.03441	2.4
69.18008	3.4
69.18412	9.2
71.01387	31.5
72.99286	2.1
73.02950	19.3
83.01373	2.1
85.02965	13.8
86.00118	2.7
87.00883	13.5
87.04539	6.3
89.02454	18.7
95.01442	2.0
96.96024	3.6
98.22720	3.2
101.02451	25.4
103.04017	11.3
113.02487	9.3
115.04031	11.5
116.92865	2.5
119.03494	10.4
125.02442	2.3
127.00649	2.0
131.03499	9.5
143.03543	14.1
145.05063	3.7
150.03185	3.9
158.36113	1.9
163.06149	24.0
165.01831	2.9
165.05589	7.5
181.05136	2.4
185.43140	1.6
195.06633	6.3
196.30965	2.0
205.07262	12.1
226.07333	1.9
247.08253	15.0
307.10605	2.2
326.31662	1.8
588.44995	1.9
611.38068	7.8
757.43799	100.0
758.43921	6.6
825.94958	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98523	0.2
70.50170	0.2
70.50501	0.1
73.30917	0.1
80.96532	0.2
97.34295	0.1
104.41186	0.1
162.24229	0.1
179.52928	0.1
627.90411	0.1
818.37701	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98835	100.0
69.66962	0.7
71.01399	0.7
75.86890	0.2
78.98600	0.4
79.95750	0.8
80.96521	3.3
82.35598	0.2
85.00506	0.2
87.00893	0.3
94.98095	0.5
98.22629	0.2
101.02477	0.2
106.98088	0.2
109.06656	0.2
125.02439	0.2
134.97617	0.4
145.65508	0.2
148.99176	0.4
152.98691	0.2
164.98697	0.5
183.98138	0.2
202.99544	0.2
209.11856	0.4
220.49731	0.2
225.00789	1.0
227.12779	0.2
666.82159	0.2
818.37048	0.3
819.38574	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	818.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98834	100.0
62.98527	0.2
69.03455	0.1
71.01394	0.7
71.83556	0.1
72.69171	0.1
79.95747	0.5
80.96520	1.9
87.00900	0.2
94.98104	0.5
96.96050	0.1
101.02490	0.2
102.42284	0.1
113.02483	0.1
122.63196	0.1
125.02493	0.3
134.97656	0.3
148.99191	0.2
150.98875	0.1
152.98634	0.1
164.98714	0.4
171.10315	0.1
197.35332	0.1
207.10341	0.2
209.11804	0.6
210.12263	0.2
211.13379	0.2
222.49046	0.1
225.00757	0.5
268.06699	0.1
300.99850	0.2
397.13647	0.1
590.57813	0.1
654.09930	0.1
716.46863	0.1
773.74243	0.1
818.40637	0.2
819.38629	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	818.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.24178	0.3
69.24586	0.4
80.96531	0.2
92.49824	0.1
98.21893	0.2
139.00647	0.1
154.52888	0.1
187.68806	0.1
209.11809	0.2
223.65060	0.1
248.77582	0.1
374.49692	0.1
414.25070	0.1
528.09277	0.1
656.45294	0.1
846.26160	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98833	100.0
63.96268	0.2
67.38130	0.2
67.59710	0.2
69.28348	0.7
69.28755	0.5
71.01402	0.6
71.92337	0.2
73.01745	0.2
73.02953	0.4
75.53236	0.2
78.51541	0.3
78.98599	0.7
79.95737	1.1
80.96523	4.9
87.00894	0.2
94.98090	1.2
96.96033	0.4
97.02954	0.2
98.21750	0.3
101.02465	0.3
103.47011	0.3
106.98063	0.2
108.18410	0.2
134.97621	0.4
145.14618	0.2
152.98715	0.4
164.98701	0.7
194.37198	0.2
209.11858	0.7
225.00775	1.6
449.92691	0.2
534.72449	0.2
818.37885	0.9
819.38397	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	818.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98549	0.1
63.42911	0.1
63.99255	0.3
70.50143	0.2
71.35905	0.1
78.91904	0.5
80.91701	0.4
80.96551	0.2
124.79053	0.1
136.58011	0.1
169.04099	0.1
293.21368	0.2
322.41708	0.1
394.43277	0.1
630.78436	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69947	0.2
59.01377	0.2
61.98835	100.0
71.01417	0.2
75.00894	0.3
78.91883	0.2
78.95936	0.2
80.96513	0.2
91.27117	0.1
98.21884	0.3
199.09795	0.2
207.10368	0.2
223.13519	0.6
241.69522	0.2
242.81854	0.2
243.74075	0.1
265.92636	0.2
410.38693	0.2
423.93484	0.2
535.98291	0.2
623.31970	0.2
641.72058	0.2
667.54272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98832	100.0
78.91893	0.8
80.96513	0.4
94.57936	0.2
96.96005	0.3
98.22677	0.8
328.51953	0.3
513.92169	0.3
623.21741	0.3
819.43140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.5
60.67043	0.8
61.98838	9.3
63.99447	0.9
69.32910	4.5
71.01381	7.0
72.01781	0.6
72.99313	1.1
73.02954	4.9
83.01405	1.0
85.02953	2.2
87.00923	1.0
89.02448	5.0
93.03434	0.7
95.01399	1.3
96.96002	1.8
99.00900	1.1
101.02454	5.3
108.04565	0.7
109.02984	0.7
113.02457	2.7
114.58958	0.8
115.04068	0.7
115.11507	0.7
119.03513	1.2
120.04556	2.1
121.02964	2.3
121.05360	2.5
122.02805	0.7
122.03741	2.7
122.06161	5.6
123.00899	0.7
123.04476	0.7
124.01665	1.4
124.02550	0.9
125.02441	4.0
134.06125	4.9
135.04500	1.2
135.06924	1.0
136.05370	3.8
136.07700	11.0
137.02458	1.6
143.03513	1.6
147.04568	1.1
148.05408	1.0
149.02449	3.5
149.06084	1.9
150.03249	13.4
150.37906	0.7
151.03593	3.1
158.02525	1.3
161.02524	0.8
161.04572	1.0
161.07213	1.0
163.07631	1.0
164.04778	0.8
165.01947	3.9
165.05577	12.3
165.09225	2.1
166.02737	3.0
166.05934	4.2
167.06102	1.1
169.01488	3.8
171.11855	2.1
179.03477	1.4
180.04295	1.6
181.05147	3.4
182.05386	1.7
186.92430	0.7
190.05095	5.7
192.06636	1.1
195.06628	7.2
196.07048	2.5
197.07109	1.0
198.09341	2.1
199.09990	1.4
205.05074	1.1
214.12422	10.9
225.07701	2.0
226.07379	0.8
227.08366	1.7
228.09119	0.9
229.09879	4.3
230.11919	4.6
241.09816	8.6
242.10638	18.1
257.12982	84.2
258.13235	3.2
275.01932	1.1
300.99808	2.5
301.11963	100.0
302.12213	3.0
314.12582	0.8
337.12100	1.8
351.10922	2.5
361.53836	0.8
371.15085	1.5
387.14362	1.1
417.15601	2.0
418.15894	3.1
419.16208	2.4
449.32809	1.9
495.33331	2.9
517.18286	21.8
518.18481	1.4
565.21521	1.5
566.21368	3.0
567.21600	5.0
613.22839	0.9
614.23444	1.2
615.23694	3.3
743.30524	1.0
758.43726	1.5
759.44763	2.5
775.31952	1.0
776.45544	0.9
786.88751	1.0
819.30548	2.6
819.43958	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	819.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01385	8.6
61.98835	1.1
67.01897	0.8
69.11450	1.1
69.11872	1.0
71.01387	4.2
73.02949	1.5
73.32720	0.3
79.05564	0.4
83.01402	0.7
85.02987	1.9
87.00858	0.7
89.02451	1.2
95.05014	0.6
95.74749	0.3
101.02477	2.4
102.02758	0.3
107.03738	0.6
107.05864	0.3
113.02502	1.8
119.03471	0.7
120.04568	2.8
121.05347	2.4
122.03779	0.5
122.06139	6.2
125.02445	0.9
127.43697	0.3
131.03522	0.4
132.04590	0.4
134.06140	3.4
135.06927	1.3
136.07698	12.4
145.05273	0.4
148.07716	0.6
150.03206	1.4
151.03520	0.4
158.02463	1.2
160.04008	0.4
161.04510	0.6
161.07265	1.0
165.01974	0.6
165.05589	1.3
166.02495	0.5
166.05923	0.4
169.01317	0.5
171.11816	2.5
180.04210	0.3
181.04982	0.8
185.08426	0.4
186.09235	0.6
190.05103	4.6
192.06625	0.4
195.06601	1.6
196.06944	0.5
198.09319	1.7
199.10071	1.7
212.10791	0.4
214.07693	0.4
214.12422	10.9
217.22882	0.4
226.07529	0.8
227.08191	1.8
228.09030	0.9
229.09827	5.0
230.11903	4.0
241.09859	6.9
242.10638	17.4
243.10870	0.7
256.12164	0.6
257.12988	82.0
258.13275	2.6
300.11087	0.4
301.11966	100.0
302.12320	2.8
323.10196	0.6
337.11975	1.7
387.14807	0.4
388.99905	0.4
415.66696	0.3
517.18335	20.4
518.18628	1.9
611.38525	0.6
612.38501	1.3
613.38629	0.5
628.16754	0.4
714.42285	0.4
757.42432	0.4
758.44208	4.7
759.44611	4.1
775.31616	0.5
787.27869	0.5
819.31146	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	819.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01387	24.2
61.98829	1.6
69.03461	1.3
69.38058	1.6
71.01389	17.3
72.99311	0.9
73.02956	2.6
79.95767	0.5
80.02670	1.1
80.96533	1.2
81.03460	2.1
82.95429	8.6
83.01395	1.6
83.05044	4.8
84.02155	0.9
85.02970	3.6
87.00890	4.3
87.04539	0.5
89.02456	15.8
95.01397	1.6
95.05053	1.0
96.96034	2.9
97.02946	2.4
97.93133	0.5
98.22605	0.9
99.00877	1.5
101.02448	11.4
103.92693	0.5
113.02476	6.0
114.93449	3.0
116.92849	0.8
119.03513	4.0
125.02463	5.8
125.06146	1.0
125.09714	0.5
127.04030	0.7
131.03503	1.0
135.08194	0.7
141.01831	0.5
143.03534	2.1
145.01407	0.6
161.04565	3.2
163.02545	0.6
163.11324	4.6
165.12856	1.7
167.14429	0.9
169.01411	0.9
171.10315	1.2
179.05661	3.5
181.12358	0.8
183.13965	5.3
191.10760	1.0
193.12360	1.9
209.11852	100.0
210.12177	3.8
211.13417	92.1
212.13783	3.2
217.07216	1.0
221.06657	1.3
225.11382	0.6
227.12920	14.0
228.13245	0.7
235.08272	4.7
249.15074	0.8
253.09305	1.1
275.01962	0.6
287.07712	1.5
300.99960	0.9
305.08801	1.6
320.05826	0.5
323.09933	1.3
379.12500	6.2
397.13535	37.7
398.13907	2.1
415.14597	9.6
589.24585	1.0
591.26733	2.1
607.25775	1.1
609.27838	3.8
738.01093	0.7
783.39319	0.9
819.38818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	36.5
61.98822	3.3
69.16175	7.8
70.95280	1.2
71.01382	13.0
80.05051	2.9
83.01389	1.4
85.02955	3.2
89.02440	10.1
95.01350	1.4
101.02447	8.9
103.00315	1.1
103.01492	1.4
104.05066	1.2
106.06619	5.1
107.03783	1.2
108.04563	3.2
113.02435	5.1
119.03517	2.5
122.06129	9.0
132.04553	2.2
134.06131	23.8
135.38007	1.1
136.07689	2.8
146.04533	1.1
152.07162	5.2
180.06659	3.2
181.20013	1.1
188.07246	5.9
210.03885	1.1
211.08824	2.0
223.08856	1.7
224.09433	1.8
225.10312	3.8
227.12067	1.6
237.10408	1.8
239.11928	3.1
241.13542	1.2
245.78241	1.4
249.10326	2.5
251.08195	2.9
251.11938	2.6
252.09091	3.2
253.09879	9.3
263.08258	2.3
264.08914	2.5
265.09830	4.4
266.10541	1.3
267.11298	5.8
277.09845	3.2
278.06863	1.9
278.10568	1.9
279.07751	4.7
279.11398	6.4
285.12390	1.5
289.09705	1.5
291.07941	2.4
292.08572	4.4
293.09329	5.8
294.10159	2.3
295.10867	10.8
300.99805	2.6
305.09262	3.2
307.10938	10.4
314.12317	2.3
321.08926	6.4
322.09201	1.2
333.08694	2.5
339.09909	4.4
351.09952	4.2
358.15497	2.0
400.16434	2.1
414.18494	2.3
426.14371	1.4
440.16080	3.8
458.17154	3.1
468.15662	3.7
486.16711	2.4
620.22327	3.2
621.22949	1.4
638.23608	6.8
648.21588	3.3
652.21967	2.2
666.23108	100.0
667.23529	11.9
698.25714	79.8
699.25977	8.1
727.30481	1.8
771.28992	10.8
789.29712	13.5
803.31445	5.1
821.31586	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	821.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.3
61.98836	100.0
71.01405	14.5
72.99296	3.1
73.02930	3.0
78.91883	6.4
79.95726	5.1
80.91678	13.6
80.96514	12.4
82.95432	32.6
83.05032	3.3
85.00418	3.9
85.02956	4.0
94.25312	2.7
96.96017	6.7
97.02971	8.3
98.70140	2.7
101.02452	6.5
109.06635	15.8
113.02409	5.1
113.06107	3.2
123.00835	3.1
125.02473	5.9
125.09723	7.7
127.11308	3.3
135.08202	3.6
163.11252	7.6
169.01454	6.8
171.10263	9.6
181.08609	3.3
181.12341	7.4
188.20621	2.7
197.11877	3.3
199.09814	18.7
207.10275	41.9
209.11903	23.3
223.09769	5.3
223.13239	4.0
225.00591	3.7
225.11374	31.5
227.12766	4.0
234.31288	3.2
235.08191	3.8
236.13495	3.1
253.09319	5.9
254.71425	3.1
275.01974	7.1
291.19788	5.0
293.21436	3.2
300.99921	7.5
323.21906	4.0
340.61002	2.9
371.18469	4.3
457.52411	4.7
461.20303	9.7
467.03400	4.8
588.09650	3.4
607.27606	11.6
625.28564	18.8
643.29828	13.5
651.30115	6.9
669.30988	3.8
733.31750	5.7
777.40527	4.3
821.39410	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	821.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.3
61.98836	100.0
71.01384	37.3
75.72705	2.7
78.95955	2.9
79.95737	2.6
80.91690	6.2
80.96484	4.6
82.95421	31.4
83.05006	3.5
85.00420	3.8
85.02934	2.9
85.91467	2.3
87.00852	3.1
88.98823	4.2
97.02958	5.0
98.22606	7.6
101.02470	7.0
109.06607	19.4
113.06052	5.8
123.00945	3.4
125.02451	6.4
125.09753	5.1
135.08272	3.4
163.11313	10.8
169.01424	4.6
171.10280	12.1
176.40727	2.9
181.12401	3.7
185.11955	3.3
199.09756	7.8
201.01764	4.0
201.11313	4.8
205.08739	3.8
207.10272	56.6
209.11853	36.0
213.11432	2.5
223.09731	14.1
225.11346	35.3
227.12894	8.2
235.08286	4.1
253.09299	16.2
275.01999	7.5
291.19748	6.3
300.99881	14.2
311.42001	2.6
354.55753	2.8
371.18533	3.1
405.62134	3.2
407.59512	3.3
443.19205	4.9
459.18768	3.3
461.20047	13.5
467.03421	3.9
605.34790	2.9
607.27557	5.5
615.30151	3.2
625.28839	10.4
635.30402	3.9
643.29846	10.2
651.29865	11.1
652.30890	3.7
669.31219	8.8
670.32007	3.4
671.32916	5.1
687.32611	4.0
821.38794	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	821.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01383	34.4
61.15611	1.3
61.98830	3.0
69.03482	1.9
71.01380	16.3
71.43977	1.5
73.02937	4.2
74.33984	1.7
80.98422	1.4
81.03468	2.1
83.01363	1.5
83.05035	5.0
85.02962	3.5
85.16061	1.4
87.00874	5.7
89.02454	13.8
95.01402	1.8
95.05022	1.6
96.96004	4.6
97.02948	2.6
97.06575	4.9
101.02470	12.5
101.06886	1.3
103.15890	1.4
113.02451	4.9
114.93417	5.4
116.92877	3.0
119.03509	3.6
121.09339	1.4
125.02454	6.0
129.01892	1.4
140.79065	1.6
143.03519	1.8
147.02983	4.1
151.11305	13.5
161.04507	1.8
163.11298	4.5
164.04370	1.6
165.12865	3.7
169.01454	1.9
169.12358	60.0
170.12801	1.5
171.10229	2.1
179.05681	2.9
206.72574	1.6
209.11839	70.9
210.12131	3.3
211.13367	1.7
213.11421	10.3
221.06754	3.1
227.12848	6.7
287.09247	2.4
300.99832	4.6
329.04575	2.0
341.38290	1.8
397.13770	4.1
415.15131	1.8
538.42426	1.8
611.25323	4.3
771.07770	1.5
821.38257	100.0
822.38446	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	821.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.0
61.98834	100.0
63.99254	3.2
69.59160	10.6
71.01388	9.5
73.15108	2.5
75.38392	2.7
78.95912	3.0
79.95716	4.7
80.91690	7.0
80.96526	9.0
82.95425	4.6
85.03024	2.9
97.02960	5.4
119.43714	2.7
125.02464	4.0
169.01414	5.3
191.10339	3.1
207.10324	5.2
209.11855	21.4
223.13437	9.9
225.11273	7.7
227.12952	6.3
250.26990	2.4
253.09232	4.5
275.01971	3.4
289.18088	8.6
291.19498	3.5
293.21176	3.6
300.99924	4.5
307.19128	6.0
320.69949	2.7
344.20670	3.4
465.27521	2.7
551.77765	3.4
594.32611	3.0
821.39862	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	821.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
57.05044	1.3
59.01385	16.6
61.98819	2.4
71.01383	7.4
73.02964	1.9
83.21309	1.4
85.00457	1.9
85.02975	3.2
88.98840	4.0
89.02470	6.6
96.96020	3.6
97.62473	1.7
99.00890	1.8
101.02464	5.7
103.01567	1.8
111.08161	14.5
113.02449	2.0
113.09700	1.4
119.03511	2.1
137.09711	2.5
161.04581	3.5
167.10812	2.3
169.83334	1.5
179.10840	2.7
179.14389	2.0
185.11855	3.4
195.13914	19.2
196.14609	2.0
211.29346	1.4
223.13411	8.4
235.08154	2.3
247.20724	2.8
253.09291	16.6
255.23236	3.5
256.13150	1.9
262.75320	1.6
273.18643	1.7
275.20135	8.0
277.21756	1.6
291.19687	100.0
292.19989	5.3
293.21262	99.7
294.21597	4.3
324.00305	1.6
363.80594	1.5
527.28882	1.7
830.87683	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	821.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01382	8.3
59.53778	0.5
61.98838	25.3
69.10898	4.1
71.01389	5.0
73.02959	1.3
78.91890	0.5
80.91680	1.4
80.96515	1.0
82.95409	0.7
85.00447	0.9
85.02963	1.4
87.00876	0.9
89.02459	3.3
96.96021	2.3
97.06638	0.7
101.02452	4.0
103.01513	1.6
109.06596	0.7
111.08167	8.2
113.02508	2.9
119.03539	1.0
127.33736	0.6
153.12900	0.7
161.04579	2.6
169.12335	3.1
179.14326	0.9
181.12335	0.7
193.12404	0.8
195.13901	7.6
196.14409	0.6
197.11848	38.6
198.12236	1.1
199.13391	1.7
211.13463	5.9
223.13414	4.3
227.12837	1.1
231.21263	1.0
235.08237	2.8
253.09319	25.8
256.13263	1.2
263.20166	1.9
265.18015	1.0
275.20267	5.6
291.19659	14.1
292.20129	1.8
293.21259	100.0
294.21564	4.3
309.20749	54.2
310.21054	1.8
352.72656	0.6
529.30042	1.5
585.41943	2.8
632.25134	0.7
692.59100	0.6
821.40472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.5
59.20646	1.6
59.47086	1.7
61.98514	1.7
61.98837	34.9
71.01389	6.3
71.18583	2.9
78.91894	3.1
78.95900	2.7
80.96518	3.9
84.58691	1.7
85.00441	2.2
85.02970	1.8
89.02441	4.8
96.96016	6.8
101.02435	5.0
103.01521	4.5
111.08157	6.9
113.02469	3.8
115.53281	1.6
125.02505	2.6
152.99544	1.8
161.04549	3.7
165.12706	1.7
169.12312	2.4
171.10318	2.1
179.05597	1.7
195.13898	8.1
196.14520	1.8
197.11879	28.1
211.13428	7.5
223.13388	7.9
249.10677	2.0
253.09282	27.0
263.20154	3.7
275.20169	6.5
291.19714	23.8
293.21259	100.0
294.21640	3.3
300.99960	2.7
309.20734	62.1
332.00900	2.2
447.43756	1.8
450.26837	2.0
451.50330	2.1
492.22516	1.8
756.43469	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	821.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01382	8.3
61.98835	23.7
69.03465	1.1
71.01382	4.4
73.02966	1.4
80.91683	2.2
80.96538	0.8
82.95423	1.9
83.01373	0.7
83.05052	1.1
85.00449	0.8
85.02971	0.9
87.00880	0.9
89.02434	3.7
96.96028	4.1
98.22636	1.1
101.02445	5.1
111.08173	6.0
113.02454	2.0
119.03535	0.9
141.53839	0.5
151.11279	0.6
152.12898	0.5
153.12926	0.7
160.72740	0.6
161.04565	2.5
169.12354	3.1
181.12419	1.2
183.13911	0.7
195.13927	7.4
196.14645	1.1
197.11839	28.4
198.12135	1.1
199.13338	2.6
209.11751	0.6
211.13348	5.2
223.13390	5.2
224.13997	0.7
235.08260	3.1
253.09294	27.8
256.13129	1.4
263.20206	1.8
265.18204	0.9
275.20203	4.9
291.19659	11.5
292.19989	1.3
293.21240	100.0
294.21625	4.5
301.00046	0.9
309.20743	48.6
310.21118	3.1
390.61420	0.5
496.40414	0.6
529.30035	1.1
545.29486	0.9
585.41602	2.9
672.08209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
59.21255	0.3
61.98836	100.0
69.46898	0.3
73.66346	0.3
74.04377	0.4
82.95433	0.7
92.32390	0.3
116.92865	0.4
122.66254	0.3
189.20856	0.4
280.07040	0.3
301.88107	0.4
325.02237	0.3
756.66962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98956	0.4
67.01911	0.5
69.46899	0.9
69.47304	1.4
71.01387	12.3
72.99317	2.9
79.01917	0.5
85.02969	0.5
87.00888	1.1
89.02463	1.5
95.01376	0.7
107.01400	2.5
107.05055	0.7
109.77209	0.4
111.00896	1.0
115.00385	33.3
116.00716	0.6
123.00889	5.0
124.01669	5.9
125.02460	13.1
133.01440	100.0
133.93401	0.4
134.01790	1.3
134.03787	2.2
135.04535	23.7
136.04866	0.8
136.98723	0.4
139.00383	0.9
140.01186	1.4
141.02000	1.0
149.02472	1.4
150.03241	7.0
151.00365	4.0
151.04044	1.0
161.02475	0.7
162.03323	0.5
163.03996	0.5
164.04802	0.5
165.05579	4.7
168.00668	3.5
169.01434	23.2
170.01703	0.7
177.01944	0.9
177.21220	0.4
179.03506	25.4
180.04042	0.7
183.02960	3.1
195.06625	0.7
211.02518	1.6
223.02377	0.6
225.04048	2.4
239.97000	0.4
241.03456	0.5
271.04639	1.5
285.06128	3.4
295.04587	4.6
297.06168	0.8
313.05670	10.8
314.05975	0.6
327.07162	0.8
385.07736	1.5
479.11942	14.9
480.12164	1.0
509.13025	3.6
527.14105	70.7
528.14630	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	823.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98833	1.9
66.33928	1.1
67.01876	1.5
69.03469	2.9
69.31329	5.7
69.95470	1.0
71.01381	3.2
71.29345	1.1
72.99301	1.1
79.01868	1.2
81.03463	2.4
84.21922	1.2
84.75501	1.5
85.02969	1.4
88.98810	3.3
95.01398	3.2
97.02954	3.6
107.01395	11.9
111.00890	3.3
123.00897	15.0
124.01665	15.3
125.02460	93.5
127.00399	1.2
128.35643	1.3
131.51936	1.1
136.01665	7.7
136.98831	1.8
137.02415	2.1
139.00375	4.8
140.01144	4.3
141.01941	1.2
149.02467	1.2
150.03270	1.4
151.00345	6.4
151.04037	6.5
153.01852	1.3
153.64279	1.4
161.02443	1.4
162.03296	2.0
165.05522	1.5
165.08127	1.1
166.99872	1.7
168.00671	10.0
169.01440	82.6
170.01762	1.6
175.03967	1.5
177.05574	1.8
183.02942	2.0
191.03558	1.5
193.01503	1.7
209.11957	1.3
211.02464	2.8
221.04579	2.0
223.37881	1.2
240.52469	1.1
295.04550	3.8
313.05731	10.9
343.12088	1.5
443.34552	1.1
465.06683	3.4
544.50983	1.4
587.91028	1.1
653.18616	2.0
823.20941	100.0
824.21307	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	823.3883
Annotation	Vincristine
Peak:m/z	Relative Intensity
59.01372	6.3
60.49846	1.7
61.98817	5.6
62.24355	1.8
66.95914	2.6
71.01385	25.9
73.02955	3.2
80.91683	2.5
82.95418	83.2
83.05038	3.9
83.32268	1.6
86.93490	1.8
97.02934	3.3
97.06630	1.9
101.02412	2.3
109.06569	4.4
113.06100	3.2
125.06073	2.2
140.34532	1.9
142.62543	2.0
163.11325	7.3
171.10335	9.3
181.12119	1.8
199.09822	9.3
200.09982	2.3
201.11319	3.3
207.10298	15.2
209.11829	100.0
210.12260	4.4
223.13412	8.2
225.11311	12.5
227.12941	18.9
235.08153	4.2
253.09270	12.2
293.21225	6.3
404.58813	2.0
461.20242	2.9
474.17572	2.2
627.30109	3.5
653.30200	5.1
671.33124	3.7
672.33942	2.7
730.37714	2.2
779.42877	9.4
823.40076	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	823.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.6
60.75330	4.7
61.98841	29.5
62.46997	4.3
67.31374	4.2
68.60194	4.0
71.01385	20.6
71.24323	7.2
83.05036	5.6
85.00433	4.4
87.00877	8.0
87.74290	5.5
97.02969	4.4
101.02431	5.5
109.06583	9.1
109.47579	3.9
113.02489	5.7
118.92435	4.2
125.02538	5.6
125.09803	5.3
130.65848	4.7
163.11200	7.8
171.10271	19.4
185.11787	4.8
197.11794	12.9
197.54309	4.5
199.09776	14.7
201.11354	4.8
204.19919	4.4
207.10333	24.2
209.11835	100.0
211.44534	4.6
223.09732	7.2
225.11316	34.6
227.12907	22.8
235.08145	7.1
245.18929	5.2
253.09306	21.0
275.02026	5.7
287.28479	5.6
289.18307	5.4
291.19550	8.3
307.19211	9.4
309.20657	20.4
367.21786	5.0
437.86377	6.0
461.20193	4.9
517.52271	5.7
650.91541	5.4
823.41760	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	823.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70741	1.9
59.01380	4.8
61.98826	7.5
67.28905	1.8
68.47375	1.8
71.01405	10.3
73.39124	1.9
80.40547	1.9
80.91667	1.9
82.95417	22.1
83.05066	2.0
84.95123	21.5
85.00443	100.0
89.02458	2.8
96.96021	8.7
97.02962	2.2
101.02427	2.5
109.06573	3.5
163.11292	3.2
169.01431	4.2
171.10312	4.8
181.12326	2.9
199.09796	3.2
201.11227	2.8
207.10294	10.4
209.11855	55.4
210.12282	2.5
223.13513	2.2
225.11325	12.0
227.12941	14.6
235.08282	3.8
243.12570	2.1
245.01082	2.0
253.09323	12.3
275.01846	3.8
291.19672	31.5
293.21289	9.5
300.99838	2.5
367.56497	1.8
445.07785	2.0
461.20392	2.5
755.42181	4.8
787.34888	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	825.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.4
59.37725	0.8
61.98825	1.1
65.00349	0.8
69.03452	1.6
70.16793	1.4
71.01401	3.8
71.25705	0.7
73.02960	0.8
79.01897	0.9
81.03451	1.2
82.95412	0.8
83.01392	0.9
85.00432	0.8
85.02966	1.3
87.00879	0.7
89.02483	1.5
95.01398	3.5
96.96017	1.2
97.02960	1.6
99.00892	0.8
99.92616	1.9
101.02447	2.5
101.84201	0.8
102.54170	0.8
102.65881	0.8
105.10237	0.8
107.01408	8.4
111.00899	1.9
113.02470	2.1
113.71844	0.8
116.92872	9.0
121.02899	0.7
123.00907	12.5
124.01683	9.0
125.02460	64.7
135.04482	0.9
136.98781	2.0
137.02483	1.5
139.00380	3.4
140.01186	2.9
141.01915	1.7
149.02443	1.5
150.03239	3.5
151.00360	3.2
165.01920	1.1
165.05580	2.8
166.99892	2.4
167.03526	1.4
168.00656	10.6
168.41328	0.8
169.01443	100.0
170.01813	1.8
179.03661	1.2
181.05092	1.6
183.02969	1.4
193.01468	5.5
201.11296	1.2
201.51920	0.8
203.03630	1.0
205.05096	0.9
209.11842	2.2
211.02490	29.0
235.02434	1.0
241.03496	3.3
271.04620	21.5
272.05176	1.0
275.01999	1.3
295.04529	1.1
300.99890	3.4
302.00269	0.9
313.05679	7.3
331.06607	1.1
362.97083	0.8
382.47809	0.8
390.02280	0.8
415.46802	0.8
423.05841	1.3
444.61594	0.7
478.12781	2.5
483.07962	8.7
493.15302	6.4
503.19223	1.3
521.20648	1.3
621.58990	1.0
629.22351	3.0
655.20306	1.2
673.21405	99.7
674.21851	12.0
721.42096	2.3
781.43604	0.9
825.22174	12.3
826.23242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	17.8
61.98822	7.3
63.92570	1.8
69.03448	3.2
71.01392	10.8
73.02927	3.0
81.03458	7.0
82.00635	2.1
82.95421	3.3
85.00453	3.7
85.02959	3.3
89.02456	6.0
92.75272	1.6
95.01381	8.2
96.96017	3.9
97.02958	3.4
99.04529	4.0
99.92568	4.9
101.02432	2.7
103.00392	2.4
107.01400	15.8
111.00867	3.5
113.02440	4.7
116.92881	27.0
117.92931	2.2
119.03465	2.7
123.00900	44.3
124.01695	20.4
125.02461	95.0
125.09745	1.9
134.59822	1.7
136.98784	2.9
137.02455	2.9
139.00414	9.9
139.04013	4.9
140.01135	5.6
141.01926	5.1
149.02553	2.3
151.00356	7.1
153.01921	1.9
161.02440	1.9
162.49727	1.6
165.01941	2.6
165.05515	2.4
166.99893	9.9
167.03423	3.3
168.00629	9.2
169.01451	100.0
171.10231	2.1
172.92372	2.1
181.05103	2.2
183.02983	5.1
191.03563	2.2
193.01331	4.0
203.03450	1.8
209.11906	3.8
211.02502	20.2
247.02527	2.6
259.11945	2.0
271.04715	12.0
275.01880	3.1
294.99374	2.0
300.99881	7.7
311.09210	3.8
326.11603	3.0
327.08929	2.8
327.12396	5.7
331.06717	19.5
366.72321	2.0
437.11786	2.0
441.02960	1.9
463.10309	2.2
478.12744	23.4
493.15063	50.8
494.15369	5.6
655.20660	2.5
673.21387	68.4
674.21814	6.2
825.22522	66.7
826.23431	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	825.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.84435	1.0
69.03465	1.5
69.59109	3.7
71.01022	1.2
71.01390	19.4
73.02952	44.7
75.00847	1.2
79.05829	0.9
82.69666	0.8
83.01392	10.8
85.02949	3.3
85.74880	0.8
87.00882	1.1
89.02461	8.2
90.66157	0.8
95.01374	1.7
96.96030	1.8
98.22635	1.7
101.02452	36.0
113.02465	13.4
119.03477	5.2
125.02457	2.8
131.03490	3.9
132.27403	0.9
143.03481	3.8
149.04550	8.6
161.04572	16.3
169.01384	1.0
203.05525	1.9
207.13788	1.8
221.06656	7.7
300.99918	2.8
351.10870	2.3
397.67935	0.9
450.99173	1.7
455.14636	1.0
704.66479	1.0
825.22504	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	825.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70406	0.5
59.01385	100.0
59.08984	0.5
60.01731	0.7
61.98846	2.8
72.47293	0.5
75.00909	0.6
85.00446	0.8
85.48193	0.5
91.19880	0.6
98.22771	1.4
103.00492	6.3
103.01505	60.0
153.33684	0.5
291.20377	0.6
538.29913	0.6
641.29077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01745	0.5
61.98840	1.4
63.26630	0.6
69.91394	0.8
69.91722	0.7
75.00880	1.0
85.00446	1.5
88.98811	0.7
103.00492	6.7
103.01507	68.5
104.01863	0.5
124.31539	0.5
205.75255	0.5
219.26976	0.5
222.76489	0.5
332.12820	0.5
337.26208	0.5
480.90720	0.6
516.35870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34620	0.8
66.17369	0.7
69.06271	0.7
70.44659	0.7
70.71284	1.0
71.54646	0.7
77.17002	0.7
78.95912	6.3
79.95748	5.2
83.93253	0.8
96.96021	100.0
96.96922	8.0
134.03746	2.1
191.83798	0.7
193.04991	0.7
204.13878	0.7
220.38745	0.7
223.13506	1.8
230.99680	1.0
233.01247	1.2
249.00821	1.8
413.09326	1.1
451.73685	1.0
543.13287	1.0
561.14197	1.0
561.83966	0.9
588.13379	1.8
749.20081	1.4
767.20203	6.1
849.83783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01733	0.5
75.00882	0.6
85.00457	0.3
103.00489	6.3
103.01507	61.7
104.01880	0.4
111.02666	0.3
111.93859	0.3
113.72572	0.3
209.11880	0.5
283.72415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.94196	0.4
59.94520	0.5
75.00903	1.0
83.45879	0.5
103.00486	6.9
103.01508	56.4
109.35526	0.5
120.85605	0.5
188.42172	0.5
277.41019	0.5
309.92438	0.5
314.46390	0.4
315.90369	0.5
340.09076	0.5
426.15192	0.5
538.83038	0.4
561.77814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.8
60.99316	16.7
61.98836	100.0
70.51775	2.4
71.01388	92.9
72.99324	4.8
73.02942	3.3
75.00901	13.0
76.75964	2.6
80.02685	2.8
81.03479	4.0
83.01392	3.8
83.05038	8.8
85.02959	3.6
87.00892	7.1
88.98808	72.9
89.02468	13.7
89.99136	3.5
95.05051	3.6
97.02959	11.1
101.02454	6.7
109.06606	39.9
110.03854	2.6
111.04516	6.4
113.02457	4.6
123.00854	2.8
125.02459	5.9
125.09740	7.0
135.08150	5.8
135.58917	2.6
161.04585	4.0
161.09732	5.7
163.11264	26.9
169.01395	4.5
171.10284	34.6
173.02425	3.1
179.10732	6.7
180.20723	2.6
181.12340	8.2
185.11728	3.6
196.65608	2.8
197.11876	4.2
199.09807	3.5
201.11366	5.3
205.08748	14.4
207.08307	4.0
207.10278	79.7
207.12128	5.5
209.11838	91.5
210.12079	4.6
213.11391	3.0
217.51776	2.7
223.09779	38.0
225.11317	44.2
227.12918	16.6
229.01381	5.6
231.03015	2.9
235.08179	5.4
243.12463	2.9
253.09305	23.2
275.01959	8.6
277.21658	2.9
299.99094	4.8
300.99933	12.3
378.47311	2.6
397.20053	4.8
415.21484	5.2
457.02460	3.0
459.18750	7.1
461.20364	10.9
466.02396	5.0
625.29163	5.5
651.30194	11.1
669.31396	13.3
687.32513	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	829.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71754	0.6
69.18282	4.0
81.28693	0.6
82.63753	0.5
89.68726	0.6
92.68670	0.6
95.01405	1.1
102.08712	0.7
116.28184	0.6
117.03471	1.4
119.05090	0.7
123.00935	1.1
125.02470	1.7
129.03499	1.0
131.15714	0.6
133.02977	1.4
133.13663	0.6
135.04552	1.2
145.01735	0.7
145.02943	4.0
147.04536	2.4
149.06151	1.4
157.02989	1.6
159.04485	2.1
161.02469	2.5
163.04013	2.1
169.01454	1.3
173.02470	4.3
175.04044	3.4
177.01988	0.8
177.05620	1.5
179.03523	0.7
185.02469	4.4
187.03911	0.7
189.01906	3.6
190.02765	2.2
191.03494	4.3
200.01184	0.9
201.01942	7.1
203.03497	5.9
213.01895	2.0
214.02563	1.0
217.01337	1.8
219.02979	1.8
226.99760	0.9
229.01430	13.6
231.02956	4.6
233.00945	1.5
245.00943	2.7
247.02563	1.9
249.04041	5.3
257.00940	11.0
258.01694	4.0
259.99667	2.2
261.00424	5.9
270.34311	0.6
273.00705	0.9
274.01147	1.8
275.01996	43.7
276.02472	1.9
283.61987	0.8
283.99683	3.1
296.30136	0.6
299.99207	4.2
300.99924	100.0
302.00323	4.4
335.04166	1.0
371.09741	0.8
395.06216	4.8
423.05499	1.5
437.07187	0.8
514.27026	0.6
569.25323	0.7
662.99695	0.8
743.06403	0.8
753.06915	0.7
757.09076	15.9
785.08600	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	829.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39370	0.6
90.59097	0.8
95.01398	0.8
95.31905	0.7
96.19308	0.6
117.03399	0.8
119.05039	1.9
123.00851	1.6
125.02438	2.6
131.05069	1.0
133.02948	1.7
135.04485	0.7
137.02429	0.9
138.83305	0.6
145.01453	1.2
145.02957	3.5
147.04529	2.3
157.02983	1.9
158.03812	1.1
159.04518	2.5
161.02464	3.4
162.03207	1.1
163.04005	2.0
169.01411	1.2
173.02429	3.2
175.04028	2.6
177.01953	0.9
177.05536	1.8
185.02428	5.8
188.63565	0.6
189.01895	3.8
190.02736	3.1
191.03497	4.6
201.01927	6.6
202.02654	1.1
203.03496	8.6
204.04083	0.8
205.01514	1.1
205.03534	1.1
213.01918	2.1
214.02713	0.8
217.01436	2.5
219.03029	1.7
221.04518	1.5
228.00577	1.0
229.01424	15.5
230.02031	0.9
231.03035	4.7
233.00925	1.2
235.02504	1.1
244.00148	1.1
245.00909	3.2
247.02487	2.3
249.04028	5.2
257.00919	12.9
258.01688	5.2
259.99710	2.0
261.00381	7.7
273.00449	1.0
274.01193	3.1
275.01996	50.6
276.02386	1.2
283.99661	2.9
299.99164	3.9
300.99918	100.0
302.00177	4.6
335.04065	1.3
395.06058	4.1
423.06152	1.3
603.38397	0.9
696.70764	0.9
753.06421	0.9
756.96033	0.7
757.09137	15.4
758.09448	1.0
785.08392	7.0
829.07263	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	829.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	1.1
69.39653	1.1
71.01371	2.9
87.00875	3.3
91.05534	17.2
95.01379	2.5
100.13376	1.1
107.01384	4.8
117.07110	2.6
123.00884	9.7
124.01658	9.8
125.02461	35.7
133.06583	5.4
139.00343	2.4
139.04045	1.3
141.01929	1.1
151.00366	3.2
161.06102	8.1
163.04022	13.5
166.99788	1.1
168.00664	6.7
169.01440	53.8
178.02797	1.4
183.03047	1.8
193.01360	2.5
195.02907	1.0
211.02586	2.6
223.04022	1.7
223.06134	34.2
279.77701	1.3
295.04550	1.4
297.06125	2.7
300.99515	1.4
313.05646	14.6
343.11877	1.4
435.08765	1.7
453.10419	2.0
461.32230	1.2
465.06821	19.7
605.11511	100.0
606.12115	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	829.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01748	0.7
62.79916	0.4
69.34270	1.5
69.34673	0.8
71.01389	7.6
73.02943	3.1
83.01411	1.4
85.02954	2.6
89.02441	3.0
95.01427	0.8
99.00899	0.8
101.02453	5.4
106.26388	0.5
113.02469	3.5
119.03525	1.2
143.03539	0.5
160.66969	0.5
161.04581	1.8
169.01437	0.5
179.05623	0.6
224.52855	0.5
275.01956	0.4
373.22263	6.2
415.23398	6.2
428.71628	0.4
474.09894	0.5
555.04669	0.5
698.30292	0.5
818.60767	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	830.419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.6
60.99316	14.0
61.98834	100.0
71.01388	89.4
71.01791	3.6
72.99300	2.4
78.95906	3.1
81.03477	3.7
83.05027	7.2
87.00919	3.0
88.98813	57.8
89.02453	10.0
94.47102	2.0
95.05025	3.8
96.96019	3.9
97.02951	5.3
99.00842	2.3
101.02416	3.9
109.06605	14.0
113.02477	4.6
118.72267	2.0
121.06554	2.2
125.02446	3.2
135.08180	2.9
161.04526	3.0
163.11325	14.6
171.10292	26.4
178.03839	2.1
181.12332	5.1
185.11848	4.6
189.09193	3.4
199.09720	3.2
199.43338	2.0
201.01848	2.3
201.11313	11.0
207.10295	44.1
209.11848	94.6
210.12167	3.8
225.11314	35.3
227.12952	13.6
228.83289	2.6
229.06581	2.3
235.08144	4.3
251.64294	2.3
253.09309	14.4
275.01904	4.6
287.49808	2.8
300.99832	6.3
341.37509	2.3
399.21622	4.0
461.20221	8.8
469.25125	2.3
486.82230	2.2
635.31042	3.0
671.32727	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	830.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	1.3
59.01385	26.0
61.98827	1.6
71.01390	30.4
72.99319	1.1
73.02955	14.8
83.01395	4.3
85.02961	17.4
87.00874	3.5
88.98795	1.4
89.02443	5.7
95.01406	3.7
97.02923	1.3
98.21864	1.2
99.00883	3.1
101.02455	20.9
103.04029	1.3
113.02459	12.3
123.00846	1.1
125.02451	2.2
131.03523	1.2
143.03535	1.8
150.03233	2.8
159.03008	3.0
161.04536	5.7
165.05582	3.4
169.01442	3.1
183.48822	1.0
189.33302	0.8
195.06616	3.2
196.96196	0.9
241.47305	0.8
300.99881	1.7
315.23431	1.0
413.30841	1.0
479.37454	1.7
625.22668	1.0
641.42694	14.1
642.43158	1.2
787.48584	100.0
788.49194	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.2
59.29503	0.7
60.99329	0.6
61.98841	1.6
71.01386	2.0
83.65754	0.7
85.02969	1.4
85.81279	0.8
85.81881	0.7
87.00882	0.9
88.98827	3.4
89.02461	1.4
95.01390	1.4
95.05084	0.9
96.96014	2.5
97.02959	0.8
98.22635	1.4
101.02423	1.0
109.02964	1.6
111.00913	0.7
113.02476	0.6
118.11832	0.7
121.02952	1.1
123.00887	2.3
123.04518	0.8
124.01683	1.9
125.02438	3.2
136.91861	0.6
137.02460	9.0
138.03258	0.7
139.00412	0.8
139.04024	2.1
149.02477	2.0
151.00383	19.9
151.04018	2.0
152.01143	2.8
152.04813	2.3
153.05618	0.8
159.04483	0.9
163.03998	1.6
164.04793	0.8
165.01933	2.1
166.02734	71.5
167.03519	3.6
169.01407	1.6
173.02417	0.8
175.04044	2.4
177.01936	3.3
177.05498	1.0
179.07219	1.0
181.05093	95.6
182.05386	2.4
184.03764	0.7
187.04044	1.2
188.04739	0.8
189.05573	1.4
190.06256	1.2
191.03477	4.0
192.04240	1.2
193.05067	2.0
205.05055	5.3
205.08685	1.7
206.05891	2.3
207.06679	1.8
207.10226	0.8
209.11801	1.6
219.06628	1.1
220.07471	2.3
221.08241	5.1
225.11348	0.7
235.09818	1.4
273.97125	0.7
275.01901	1.7
300.99954	3.0
309.04147	0.9
324.06332	1.1
339.08817	2.4
341.10413	1.1
354.10938	1.2
357.09793	1.5
359.11365	1.2
369.13388	1.5
372.12164	6.2
387.10703	14.4
387.14633	25.7
388.10837	1.2
388.15152	0.9
393.63071	0.8
399.14493	2.7
401.16287	1.6
402.13171	13.6
403.13882	2.1
417.15585	100.0
418.16043	7.2
431.17252	1.7
515.11285	0.7
515.18781	0.7
522.26831	0.7
597.23499	10.6
598.24115	2.0
609.23682	2.1
627.24451	44.5
628.24805	5.7
771.44727	0.8
791.90057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33519	0.4
59.01382	24.2
61.98833	8.7
61.99139	0.7
69.03442	2.5
69.88325	0.8
71.01386	15.7
71.05028	1.0
72.99316	0.5
73.02952	2.7
75.00871	0.5
80.02709	1.0
81.03445	2.4
83.01415	2.1
83.05033	5.8
84.02174	0.9
85.02950	3.7
85.03316	0.4
87.00884	3.7
88.78943	0.4
89.02450	15.2
95.01418	1.4
95.05059	1.3
96.96031	2.0
96.99353	0.4
97.02946	3.4
97.06592	0.5
99.00888	1.1
99.04531	0.5
101.02449	11.7
101.03101	0.7
109.03002	0.5
109.06620	1.0
113.02464	7.2
119.03507	3.3
119.78831	0.4
125.02470	4.7
125.06075	0.5
125.09729	0.8
131.03535	0.8
135.08171	0.7
139.04060	0.7
141.01944	0.5
142.94392	0.4
143.03511	2.6
149.04549	0.5
149.09743	0.5
161.04576	3.1
161.54051	0.5
163.11316	4.0
165.12823	2.5
167.10771	2.4
171.10266	1.1
179.05623	5.2
179.10823	1.3
179.14421	2.6
181.12418	0.7
191.10742	1.4
195.13910	6.9
205.12315	7.8
207.10187	0.7
209.11839	100.0
210.12201	2.9
221.06670	1.6
223.13400	73.3
224.13745	2.3
227.10641	0.9
227.12894	16.8
228.13148	0.8
235.08215	5.0
253.09314	0.9
261.14914	0.9
263.07672	0.6
265.14438	0.5
287.07684	1.6
301.09219	0.4
305.08740	1.5
323.09814	1.6
327.22092	0.7
379.12439	5.0
380.13068	0.5
397.13513	38.8
398.13901	1.7
415.14615	9.8
415.24503	0.5
479.35300	0.5
603.26624	3.5
607.25586	1.1
621.27576	5.9
622.27405	0.5
795.37329	1.4
813.37592	1.2
831.36652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.2
69.22595	4.2
69.90298	0.9
71.01401	1.1
85.02937	1.2
87.00888	17.1
97.06605	2.2
98.53450	1.0
99.29070	1.1
101.02459	1.3
106.20330	0.9
121.02960	1.4
122.03777	1.7
123.04546	1.3
130.99875	3.3
133.01451	1.0
146.03720	3.0
147.04562	1.3
163.07657	1.3
172.05310	2.1
173.06035	1.2
174.03316	1.5
175.07652	12.2
186.06924	2.5
187.07649	3.1
188.04863	1.6
189.05582	1.0
190.06378	2.2
200.04805	6.0
201.09222	3.5
203.07144	4.5
204.07745	1.1
215.07204	1.5
217.08754	4.4
219.10229	6.0
227.10767	2.7
229.08696	20.9
230.08990	1.7
243.10121	1.5
245.08168	4.9
245.11890	1.5
247.09892	2.9
254.04201	1.3
261.11249	1.5
261.94220	1.0
271.09726	2.9
273.07721	11.9
289.10767	1.6
311.23566	1.0
333.09799	6.5
351.10867	100.0
352.11172	6.1
477.12613	1.1
574.48254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.2
61.98832	1.5
71.01389	5.9
73.02948	2.0
78.83519	0.9
83.01449	1.1
85.02952	4.1
87.00873	2.1
89.02464	2.3
96.96012	3.4
101.02431	3.0
101.04386	1.0
113.02393	2.5
121.02923	1.4
125.02479	1.2
134.03767	1.2
135.04485	1.6
136.01607	1.1
149.02458	1.9
149.06044	4.9
150.03247	7.7
150.06877	49.4
151.04025	1.6
151.07382	1.1
153.09258	1.0
155.10822	1.0
157.08723	2.1
162.06870	5.1
163.07669	22.3
164.08450	6.3
165.05576	8.0
169.01361	2.0
176.08432	2.3
177.09186	3.3
178.09949	3.1
179.10783	14.7
195.06633	7.8
197.92029	1.1
279.23242	1.5
279.60706	1.2
281.21503	1.4
300.99710	2.1
303.44141	1.2
325.23819	2.5
327.21701	8.7
375.67496	1.1
380.09747	1.3
387.14450	2.1
446.30505	8.6
460.32040	9.7
461.32770	20.2
487.30566	2.5
488.31622	5.8
489.32568	2.3
505.31628	1.4
506.32480	12.0
507.33286	26.6
508.33899	1.9
583.21344	1.3
651.37482	2.7
669.38525	14.0
727.42334	2.4
788.48193	1.9
798.06940	1.3
831.43988	100.0
832.44043	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	832.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98832	100.0
62.70905	0.2
71.01379	0.8
78.91916	0.3
78.95944	0.2
79.95754	0.2
88.98814	0.2
92.92831	0.4
95.23604	0.2
98.84504	0.2
109.06654	0.2
116.92959	0.2
133.46780	0.2
171.10272	0.3
207.10291	0.5
209.11783	0.9
210.12207	0.2
225.11414	0.3
227.12880	0.2
237.62840	0.2
274.42325	0.2
330.81857	0.2
728.67059	0.2
861.44012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98834	100.0
62.60279	0.1
62.98521	0.1
69.89591	0.2
69.89979	0.2
71.01384	0.3
74.10600	0.1
78.91887	0.3
79.95748	0.2
80.96530	0.2
85.42912	0.1
109.06597	0.2
116.92921	0.2
125.02438	0.2
147.79788	0.1
153.02080	0.1
163.11235	0.1
171.10329	0.2
185.45056	0.1
195.30345	0.1
201.11395	0.2
207.10281	0.2
209.11797	0.6
211.13394	0.2
225.11441	0.1
263.32584	0.1
273.17145	0.3
300.99969	0.3
341.23346	0.3
376.02753	0.1
451.69592	0.1
634.29810	0.1
833.37689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
59.82853	0.2
59.97970	0.2
61.98835	100.0
69.14407	0.9
71.01390	0.3
75.00894	0.4
77.17069	0.1
78.91919	0.2
79.95745	0.2
80.22871	0.1
80.96546	0.3
82.16914	0.2
88.98843	0.3
96.96035	0.2
116.92867	0.2
129.46712	0.2
197.11925	0.3
207.10262	0.4
209.11876	1.5
209.13513	0.2
209.82123	0.2
210.12286	0.2
225.11411	0.2
227.13023	0.2
240.85524	0.2
253.09445	0.5
330.20685	0.2
348.22034	0.4
367.73978	0.2
410.02899	0.2
546.56226	0.2
698.87378	0.2
832.38721	0.2
833.37750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98835	100.0
62.98540	0.1
66.17617	0.1
71.01390	0.2
75.55409	0.1
79.95714	0.1
96.96024	0.7
109.06613	0.1
137.64111	0.1
169.01538	0.2
207.10358	0.2
209.11821	0.5
216.24043	0.1
216.31282	0.1
223.13420	0.1
225.11359	0.2
275.02411	0.1
300.99985	0.2
388.50613	0.1
397.13571	0.1
668.91101	0.1
833.38257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98834	100.0
69.12083	2.1
71.01386	0.8
80.96516	0.5
89.02448	0.7
96.96012	0.5
101.02467	0.3
107.31432	0.3
109.06589	0.4
116.92902	0.7
163.11339	0.4
164.73212	0.3
169.01547	0.3
201.02127	0.3
207.10347	1.1
209.11874	3.3
210.12341	0.6
223.13524	0.3
225.11397	0.9
227.12964	0.4
275.02048	0.6
301.00006	0.8
397.13815	0.5
415.15427	0.3
744.47919	0.3
833.38208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61454	0.3
61.98836	100.0
71.01400	0.8
79.95745	0.4
80.96500	0.4
88.98817	0.7
92.92781	0.5
96.96046	0.6
98.01495	0.3
101.28294	0.3
111.83909	0.3
133.12248	0.3
209.11917	1.5
301.00043	0.5
307.19305	0.4
475.31863	0.4
668.18176	0.3
668.58881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
60.67285	1.0
64.96893	0.9
65.00334	1.4
67.32259	0.9
69.22100	1.0
71.17361	1.4
87.00890	5.2
91.05545	27.9
96.96007	1.7
98.22562	1.1
101.02472	1.1
107.01402	2.1
111.87727	1.0
117.07162	5.2
124.01682	1.6
125.02446	3.4
133.06615	11.0
135.04536	1.2
146.99767	0.9
151.00404	6.4
161.06117	17.0
163.04044	23.7
169.01495	3.4
178.99846	4.9
179.07187	2.3
211.03984	1.3
223.06136	70.5
224.06471	2.0
226.02740	1.6
240.30283	1.0
243.02986	4.6
254.02278	1.3
255.03044	12.3
271.02509	29.4
272.02954	2.1
300.02786	54.9
301.00043	2.1
301.03510	19.6
308.51077	1.0
609.14648	100.0
610.14728	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	833.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93144	1.5
69.03465	2.6
70.27447	1.8
70.64787	1.4
75.04817	1.6
83.01404	7.5
93.03464	3.5
95.01428	1.4
95.05019	1.7
97.02953	2.3
109.02965	17.5
117.03475	1.4
121.02962	2.6
123.04525	9.0
125.02477	13.2
133.02966	2.5
135.04575	2.3
136.01732	1.6
137.02460	76.7
139.04025	1.9
149.02431	7.4
151.04016	6.3
159.04572	4.6
161.02475	25.2
161.06070	2.2
163.04033	11.8
165.01956	2.1
169.01463	3.6
175.04018	4.3
176.01178	1.7
177.01949	2.6
178.02866	1.7
179.03526	2.4
185.06035	1.9
187.04025	9.4
188.04739	2.0
189.01988	5.5
197.06099	2.4
199.04042	3.7
200.80804	1.5
201.05580	2.1
203.03558	1.8
203.07118	4.5
205.01396	2.8
205.05035	3.6
213.05513	3.0
215.03568	1.9
217.01434	2.5
225.05476	2.8
229.05084	2.2
240.04135	3.4
241.05138	3.2
243.02975	8.2
243.09839	2.8
245.08171	6.4
255.03030	6.7
257.04639	7.9
267.02994	14.0
268.03802	6.2
269.04517	7.8
275.02042	4.0
281.04745	3.5
285.04080	6.4
289.07187	29.2
295.02808	1.8
297.04092	2.8
299.05609	20.2
300.99948	4.8
301.07028	2.0
303.62122	1.7
337.55115	1.8
351.09003	2.3
355.57056	1.5
419.07736	64.6
420.07993	4.2
437.08804	100.0
438.09180	4.2
451.10355	12.4
458.42593	1.5
507.77853	1.6
532.67181	1.9
577.14337	2.0
580.15881	1.7
589.13580	42.1
590.14038	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	833.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58142	2.0
69.20743	14.5
76.85612	2.0
83.01417	6.2
93.03505	3.3
97.02957	3.1
107.05070	3.2
109.02981	14.1
109.08913	2.3
114.56994	2.1
121.03008	2.2
123.04526	7.9
125.02463	23.7
137.02469	67.3
139.04167	3.3
149.02457	9.0
151.04004	6.8
156.81071	2.2
159.04570	3.6
161.02481	16.9
163.04021	9.3
168.91153	2.4
175.04021	3.6
177.01923	6.3
187.04062	9.3
189.01901	3.9
190.02672	2.9
191.03508	3.7
197.06012	2.8
199.04170	3.2
199.23932	2.6
203.07135	4.5
205.05164	4.0
213.05644	4.8
215.03455	2.6
215.07146	5.6
239.05695	6.0
241.05135	6.6
243.03156	6.0
245.08267	6.5
247.02576	2.8
255.02974	3.2
257.04617	9.6
267.02975	8.0
268.03708	3.8
269.04523	4.8
275.02045	2.4
281.04642	4.4
285.04074	6.6
289.07187	18.2
296.97464	2.4
297.04095	3.1
299.05774	13.1
300.99802	2.8
301.07193	16.8
330.09271	2.3
419.07767	53.0
420.07941	6.7
437.08810	100.0
438.08932	5.6
451.10593	7.3
589.13544	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	833.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.1
69.41542	5.6
71.01397	8.7
71.26713	1.3
73.02944	7.2
83.01391	3.0
84.95136	1.4
85.02969	4.8
87.00895	3.9
89.02458	1.6
93.03473	4.5
95.01386	2.9
101.02467	6.8
113.02458	3.1
121.02979	5.7
122.03758	17.8
123.00927	1.4
123.04597	1.5
125.02459	4.4
136.01678	1.9
145.03069	1.8
149.02457	17.4
149.06113	1.6
150.03253	100.0
150.06891	19.9
151.03740	1.7
152.99965	1.3
155.53899	1.3
162.06888	1.7
163.04028	1.3
163.07648	8.6
164.04803	3.9
164.08444	2.6
165.05589	83.9
166.05901	1.4
169.01465	2.8
175.04039	3.1
176.08417	2.2
177.09259	2.1
179.10789	4.8
180.04346	4.9
189.05507	2.0
190.06346	3.4
192.31685	1.4
195.06654	37.3
205.08678	4.1
207.06689	1.8
208.07437	4.6
208.75728	1.4
209.11711	1.6
298.08340	1.4
300.99829	4.1
329.23459	1.9
341.10544	3.2
351.11139	1.5
359.15262	1.8
365.93213	1.4
371.14709	1.9
389.16006	9.5
448.31824	3.4
462.33560	2.9
463.34494	8.6
490.33258	2.2
503.19330	4.4
504.20139	1.7
506.17804	2.4
508.34048	5.5
509.34946	12.8
515.19531	6.9
519.18640	1.8
521.20367	6.2
533.20441	7.1
563.21381	19.4
575.21448	21.1
599.24805	9.0
663.24829	3.4
671.39929	4.8
681.25568	10.9
699.25800	2.1
729.28241	2.0
741.27612	4.3
773.45221	1.7
789.30029	7.7
833.45544	41.6
834.43488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	96.9
61.98845	3.7
71.01391	33.6
71.09808	2.9
71.97136	3.5
72.99302	3.6
73.02956	50.3
83.01398	14.5
84.95139	13.9
85.00441	20.5
85.02968	13.0
87.00899	7.0
89.02458	12.8
90.01228	3.7
93.03445	4.4
98.22614	7.9
101.02457	41.4
113.02459	13.6
119.03530	3.3
121.02978	15.8
122.03784	20.2
123.00843	4.8
124.01721	4.1
125.02537	7.8
131.03561	3.8
135.04559	6.8
136.01685	4.9
137.02493	5.6
143.03476	3.4
149.02464	34.4
150.03250	100.0
151.03798	3.3
161.04565	6.4
162.03476	3.2
164.04741	7.0
165.02011	6.0
165.05595	83.2
166.02684	5.6
166.05991	4.6
169.01469	8.8
180.04272	7.9
183.92032	2.8
195.06648	39.3
196.06979	3.7
212.44257	3.3
257.88486	2.9
287.08945	3.0
300.99860	7.8
341.10269	10.9
351.10834	15.5
356.12677	7.1
371.15219	15.6
387.14325	4.0
519.20026	9.1
533.20294	6.8
535.20502	4.9
536.20142	6.1
537.21112	7.3
563.21570	11.9
575.21283	12.8
653.24933	4.2
663.24579	12.8
681.25525	20.2
687.23004	5.1
688.36694	3.7
741.28088	5.1
773.43701	9.3
789.29840	18.1
838.88684	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	833.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.4
59.01388	11.7
70.36250	0.3
71.01028	0.5
71.01383	5.8
73.02938	0.9
76.41981	0.4
78.47936	0.3
80.02653	0.5
81.03431	1.4
83.01392	0.5
83.05029	1.9
85.02933	1.4
87.00888	1.2
89.02458	4.8
90.07370	0.4
93.03471	1.0
97.02970	2.5
97.06582	0.5
101.02459	3.9
106.06582	0.5
109.06599	5.6
110.03721	0.7
113.02460	2.4
119.03493	1.3
123.04549	0.5
125.02483	2.0
125.09716	0.7
132.04549	0.5
134.06088	1.2
135.08141	0.7
135.56560	0.4
136.05205	0.5
137.09784	0.6
143.03502	0.9
158.02524	0.6
161.04536	0.9
161.09700	0.5
163.11305	5.0
165.12790	0.6
171.10295	1.3
179.05586	1.1
181.12405	0.8
185.11812	0.7
189.09192	0.6
190.05095	2.5
192.06573	0.5
197.12019	0.5
198.09204	1.9
201.11330	0.9
202.08830	0.6
207.10280	17.5
208.10646	0.4
209.11848	25.4
210.12096	0.6
212.05972	0.6
213.06580	0.5
214.08768	0.5
221.04118	0.4
221.06563	0.5
223.08746	0.6
225.11351	11.5
226.07471	1.5
227.12918	3.6
228.09023	3.2
229.22624	0.4
235.08290	1.1
239.11905	10.2
241.09842	71.8
242.10191	3.0
243.11513	1.3
249.11240	0.6
255.11394	1.2
256.12195	40.6
257.12482	1.7
265.14359	0.7
300.11203	9.9
315.13531	100.0
316.13818	4.9
323.10068	0.5
337.12088	3.3
338.12689	0.5
377.82065	0.5
379.12241	0.5
397.13568	7.4
398.14551	0.6
399.21802	0.7
415.14557	2.8
417.22824	1.7
517.18329	16.9
518.18848	2.5
605.24915	1.7
623.25537	3.0
725.28845	1.3
757.31445	1.3
797.36157	3.6
815.37054	5.5
833.38489	8.4
834.38983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	34.0
65.03949	1.4
69.03460	1.9
71.01382	22.4
72.99271	1.3
73.02937	3.4
74.52617	1.1
81.03456	5.3
83.01394	3.7
83.05043	10.1
84.02154	1.5
85.02962	6.3
87.00879	5.5
89.02454	19.2
93.03438	3.0
95.01360	1.5
95.05050	1.8
96.96022	1.4
97.02956	11.7
97.47153	1.2
99.00913	2.3
101.02447	14.2
107.05051	1.4
109.06602	28.2
110.03720	3.9
111.04549	1.3
112.02469	1.2
113.02451	8.6
119.03504	3.9
121.06604	1.8
123.08166	1.8
125.02423	5.4
125.09755	3.2
126.90379	2.1
135.08195	5.6
136.05318	1.6
143.03519	3.4
145.10185	1.2
152.75298	1.2
161.04572	3.3
161.09755	1.9
163.11299	24.6
165.12819	3.5
171.10309	2.9
179.05618	4.5
181.12350	4.8
185.11876	2.4
187.09763	1.2
189.09161	2.3
207.10281	82.7
208.10519	3.6
209.11838	100.0
210.12189	3.9
217.12360	1.2
221.06644	2.6
225.09135	2.7
225.11319	43.6
226.11580	2.3
227.12904	15.1
231.10298	1.4
235.08229	3.6
243.12254	2.1
249.11282	2.0
253.09215	1.5
257.28192	1.1
263.12833	2.5
305.08560	1.4
366.25342	1.3
379.12265	2.1
397.13522	26.4
399.21896	3.5
415.14600	11.3
417.22739	5.6
530.40027	1.3
605.24310	6.8
607.25720	1.3
609.74768	1.4
623.25818	8.6
789.35437	1.6
797.36017	11.8
815.37067	23.7
816.37665	2.5
833.38013	33.2
834.38239	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	833.455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	54.9
69.17233	16.6
71.01389	34.0
73.02952	11.5
73.84232	3.9
83.01421	5.4
85.02972	12.3
87.00868	4.5
89.02466	18.1
95.92632	3.1
96.96008	4.2
98.22781	3.8
101.02449	21.2
103.03995	4.8
113.02448	14.7
119.03553	5.0
125.02426	3.4
131.03461	3.8
150.03281	6.0
163.06151	7.8
205.07130	5.4
247.08226	4.9
258.15747	3.9
271.91602	3.5
293.81738	3.9
445.67493	3.5
478.23807	3.3
518.99524	3.7
629.22791	4.6
713.23090	4.6
773.43341	100.0
774.43903	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	834.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
63.99258	0.4
71.01396	1.1
71.43995	0.4
78.91881	2.1
78.95946	0.5
79.95744	2.2
80.96520	2.4
82.95406	0.3
90.22587	0.3
94.98077	0.4
96.96019	0.5
97.02956	0.5
148.99226	0.3
163.11389	0.3
164.98621	0.4
207.10269	0.5
209.11885	1.1
224.20923	0.3
225.00806	0.9
225.11264	0.4
291.53906	0.3
363.11407	0.4
365.49643	0.3
365.54367	0.3
817.37024	0.5
834.38690	0.6
835.38617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98834	100.0
63.99251	0.6
66.08288	0.2
69.73116	0.6
69.73504	0.6
71.01392	0.3
78.91907	0.3
78.95930	0.3
80.91721	0.6
82.95435	1.4
96.96024	1.2
127.90356	0.2
154.09462	0.2
169.01453	0.4
209.11888	0.4
275.02094	0.4
300.99976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25509	0.1
61.98835	100.0
74.26427	0.1
74.46414	0.1
90.72371	0.1
100.09428	0.1
116.76260	0.1
161.42778	0.1
162.69931	0.1
170.83699	0.1
185.20496	0.2
193.63747	0.1
209.11800	0.2
278.80908	0.1
479.64893	0.1
522.39679	0.2
776.12347	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	834.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.18367	0.1
62.89114	0.1
62.98551	0.1
63.20223	0.1
69.24890	0.6
77.59352	0.1
78.91885	0.3
80.96513	0.2
96.96040	0.3
98.21924	0.3
106.61100	0.1
152.01331	0.1
200.64621	0.2
205.98424	0.1
209.11920	0.4
226.11890	0.1
226.44240	0.1
267.94012	0.1
282.48685	0.1
457.04456	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	834.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.5
61.98834	100.0
64.34166	0.2
69.34415	1.0
71.01402	0.6
80.96530	0.4
84.83468	0.2
88.59861	0.2
89.02427	0.3
96.96080	0.4
98.22652	0.4
113.02540	0.2
116.92876	0.5
125.02415	0.5
130.08759	1.8
154.95108	0.2
169.01448	0.3
171.05734	0.2
171.10368	0.4
197.11885	0.5
209.11871	1.4
225.11360	0.3
226.11554	0.2
227.13029	0.3
229.01407	0.2
275.01883	0.4
301.00113	0.4
322.20291	1.8
331.27359	0.2
377.03278	0.2
397.13840	0.2
450.33566	0.2
550.95117	0.2
559.61053	0.2
642.07892	0.2
703.61682	0.2
834.37903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98834	100.0
68.87766	0.1
71.01402	0.3
80.96507	0.1
83.90276	0.1
96.96044	0.1
99.92602	0.1
116.92871	0.5
138.95210	0.1
155.37390	0.1
163.35374	0.1
169.01608	0.1
197.12033	0.1
209.11868	0.6
211.13489	0.1
225.11443	0.1
226.11833	0.1
227.12997	0.2
229.01588	0.1
258.53983	0.1
263.85803	0.1
275.01971	0.1
301.00070	0.3
397.13666	0.1
834.38049	0.1
835.38751	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	834.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.09724	0.2
67.82314	0.2
71.01404	0.2
78.91897	2.4
78.95934	0.3
79.95750	0.9
80.91684	1.4
80.96522	0.7
82.95439	0.4
84.48296	0.1
85.00441	0.2
86.30476	0.1
94.98112	0.2
96.96024	5.5
96.96970	0.3
111.75603	0.2
117.03577	0.2
169.01448	0.2
171.10204	0.2
209.11887	0.4
275.01947	0.2
300.99991	0.6
373.90701	0.2
390.02316	0.2
458.74243	0.2
834.40369	0.3
835.39758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	1.5
59.01387	0.6
61.98835	36.4
71.01384	0.4
81.03468	0.4
83.05065	0.5
95.05064	0.6
97.06606	0.5
109.06622	0.8
116.92981	0.3
125.02435	0.3
128.10820	6.9
128.11723	0.4
129.11154	0.3
130.08751	100.0
131.09082	1.9
160.41267	0.3
163.11385	0.3
165.12894	0.8
178.77284	0.2
209.11864	1.3
300.99738	0.5
322.20251	87.6
323.20581	4.9
835.37292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.2
61.98836	4.8
65.00314	1.0
65.15394	0.8
67.01888	2.1
67.03202	0.8
69.03445	1.4
69.10840	2.9
69.11260	2.7
71.01376	3.0
72.93682	0.8
72.99300	0.9
73.02933	1.2
78.01109	1.3
79.01893	3.1
83.01379	1.5
85.02977	1.1
87.00881	1.1
89.02437	1.3
91.44428	0.8
95.01398	6.2
97.02966	2.1
98.22838	0.8
99.00851	1.1
101.02441	2.5
106.00634	0.8
107.01410	7.8
111.00871	4.6
113.02450	1.0
122.99998	1.9
123.00901	33.6
124.01675	24.7
125.02461	29.7
125.03417	0.9
127.00388	1.9
136.98834	1.9
137.02519	1.2
138.03127	0.9
139.00392	5.6
139.03984	1.4
140.01208	4.9
141.01976	5.5
141.23047	0.8
151.00374	12.2
151.03999	1.0
153.01918	1.4
166.99884	4.2
167.99565	0.8
168.00664	9.2
169.01442	28.2
170.01859	1.0
179.03548	0.8
183.02983	3.8
189.09813	0.8
209.89510	0.9
211.02487	4.2
212.10985	0.9
225.04097	1.3
258.29263	1.0
267.43536	1.0
271.04608	1.2
282.08966	1.2
295.09634	1.1
311.09283	1.4
312.10059	0.9
326.11627	3.6
327.12460	4.2
341.13998	2.6
386.52484	0.9
474.15564	1.2
488.17245	2.0
489.17639	2.4
503.19315	3.6
640.19049	1.2
655.20361	100.0
656.20490	7.9
775.43903	1.2
835.26862	47.8
836.27399	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	835.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.4
69.03457	0.5
71.01387	12.0
71.05037	0.4
71.06622	0.5
71.06985	0.4
73.02953	1.8
77.95916	0.4
80.02696	0.9
80.05043	0.5
81.03458	2.1
83.01400	1.5
83.05029	4.6
83.66489	0.4
84.02179	1.2
85.02958	2.8
87.00892	2.3
89.02451	10.2
95.01392	0.7
95.05011	1.1
96.95995	0.7
97.02950	1.6
99.00915	0.6
101.02451	8.3
106.06627	1.4
113.02466	4.0
119.03519	2.6
121.02998	0.4
122.06168	2.2
125.02466	3.4
125.06087	0.9
132.04544	0.6
134.06142	6.4
140.80382	0.4
143.03535	0.6
145.31868	0.5
148.05316	0.7
152.07227	1.1
160.04045	0.6
161.04590	1.6
163.07639	0.5
163.11310	4.0
164.08049	0.5
165.12852	2.3
169.01471	0.7
171.10277	0.8
179.05679	2.4
181.12379	0.5
191.10796	1.0
199.60904	0.4
209.11853	100.0
210.12186	1.5
211.08836	0.5
213.10443	0.9
213.12987	0.4
221.06821	1.0
225.10355	1.0
227.12935	16.2
235.08263	2.8
237.10327	0.5
239.11859	1.9
241.13405	0.7
247.13382	0.6
251.08246	1.0
251.11789	1.0
253.09645	1.9
263.08136	0.7
265.09860	1.4
267.11539	0.8
277.09784	1.1
278.10669	1.2
279.07855	0.8
279.11346	1.2
285.12573	2.3
287.07849	0.8
293.09332	1.8
294.10098	0.6
295.10944	1.0
295.41830	0.5
300.99893	1.1
305.09088	1.2
307.10870	0.9
315.09723	0.5
351.10367	0.6
358.15677	0.6
379.12308	2.3
384.13498	0.7
397.13541	19.0
398.14719	0.5
399.15790	0.5
400.16608	1.9
412.16788	1.2
415.14597	4.1
454.39252	0.4
486.17029	0.5
607.26160	1.1
622.23871	0.5
638.24005	0.5
649.23608	0.7
666.23413	1.7
680.24622	1.4
698.25934	0.7
712.27478	2.4
727.29315	2.5
728.31720	0.5
759.32587	0.5
771.28949	11.9
772.29266	0.9
799.37341	0.9
803.31506	13.1
804.31677	0.8
835.34052	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	835.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.4
69.03457	0.5
71.01387	12.0
71.05037	0.4
71.06622	0.5
71.06985	0.4
73.02953	1.8
77.95916	0.4
80.02696	0.9
80.05043	0.5
81.03458	2.1
83.01400	1.5
83.05029	4.6
83.66489	0.4
84.02179	1.2
85.02958	2.8
87.00892	2.3
89.02451	10.2
95.01392	0.7
95.05011	1.1
96.95995	0.7
97.02950	1.6
99.00915	0.6
101.02451	8.3
106.06627	1.4
113.02466	4.0
119.03519	2.6
121.02998	0.4
122.06168	2.2
125.02466	3.4
125.06087	0.9
132.04544	0.6
134.06142	6.4
140.80382	0.4
143.03535	0.6
145.31868	0.5
148.05316	0.7
152.07227	1.1
160.04045	0.6
161.04590	1.6
163.07639	0.5
163.11310	4.0
164.08049	0.5
165.12852	2.3
169.01471	0.7
171.10277	0.8
179.05679	2.4
181.12379	0.5
191.10796	1.0
199.60904	0.4
209.11853	100.0
210.12186	1.5
211.08836	0.5
213.10443	0.9
213.12987	0.4
221.06821	1.0
225.10355	1.0
227.12935	16.2
235.08263	2.8
237.10327	0.5
239.11859	1.9
241.13405	0.7
247.13382	0.6
251.08246	1.0
251.11789	1.0
253.09645	1.9
263.08136	0.7
265.09860	1.4
267.11539	0.8
277.09784	1.1
278.10669	1.2
279.07855	0.8
279.11346	1.2
285.12573	2.3
287.07849	0.8
293.09332	1.8
294.10098	0.6
295.10944	1.0
295.41830	0.5
300.99893	1.1
305.09088	1.2
307.10870	0.9
315.09723	0.5
351.10367	0.6
358.15677	0.6
379.12308	2.3
384.13498	0.7
397.13541	19.0
398.14719	0.5
399.15790	0.5
400.16608	1.9
412.16788	1.2
415.14597	4.1
454.39252	0.4
486.17029	0.5
607.26160	1.1
622.23871	0.5
638.24005	0.5
649.23608	0.7
666.23413	1.7
680.24622	1.4
698.25934	0.7
712.27478	2.4
727.29315	2.5
728.31720	0.5
759.32587	0.5
771.28949	11.9
772.29266	0.9
799.37341	0.9
803.31506	13.1
804.31677	0.8
835.34052	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	835.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	26.2
69.09212	6.6
71.01390	14.3
71.36828	0.9
80.05078	2.1
83.01412	1.4
85.02966	3.5
87.00899	1.5
89.02445	10.8
94.06648	1.1
96.96005	1.0
101.02451	6.7
101.28423	0.9
106.06620	4.9
107.03728	1.3
108.04553	1.3
113.02479	3.9
119.03510	3.3
121.05386	1.1
122.06142	7.8
132.04597	1.0
134.06137	27.0
136.07623	1.1
150.05672	1.4
152.07207	4.7
157.88135	0.9
174.05602	1.3
180.06621	1.8
188.07181	2.1
190.05106	2.2
209.11810	2.7
213.10362	6.1
223.08711	1.1
225.10376	2.9
236.34273	1.0
237.10388	1.8
239.11848	4.8
241.13528	3.9
249.10420	1.4
250.07434	1.6
251.08185	2.8
251.11966	3.1
252.09085	1.9
253.09859	4.1
262.07364	1.1
263.08221	3.2
264.08963	1.2
265.09845	4.5
267.11435	4.6
277.07068	1.2
277.10022	4.8
278.07144	1.8
278.10669	4.8
279.07794	5.0
279.11160	5.8
285.12500	10.3
291.07870	1.5
291.11349	1.1
292.08591	2.3
292.11905	1.2
293.09351	10.0
293.12592	1.6
294.10172	3.2
295.10974	5.5
305.09317	3.3
307.11026	6.6
309.12360	1.4
314.12659	1.5
321.08762	2.5
333.08984	2.0
337.08267	2.4
337.11978	2.3
339.09830	3.9
347.81097	1.0
351.09848	3.6
356.13864	1.3
358.15564	2.1
370.11670	1.1
384.13382	2.2
385.13916	1.6
397.13864	2.1
398.15079	2.1
400.16736	6.1
412.16620	3.7
424.16498	2.1
425.17386	1.5
426.14215	1.5
468.15298	1.4
486.16928	2.3
504.17761	1.4
593.24066	1.1
620.22369	3.4
638.23724	7.3
648.21796	4.1
649.22357	2.1
666.23065	29.9
680.24396	5.3
698.25153	2.0
712.27411	12.2
727.30017	7.1
771.28937	54.4
772.28650	5.0
803.31525	100.0
804.31830	6.7
835.34113	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.2
61.98834	59.9
69.27048	1.7
71.01392	14.9
71.42305	2.2
73.02943	4.7
74.92937	2.0
78.98598	5.6
79.95747	22.6
80.96523	81.5
81.03484	1.7
82.70081	1.8
83.01407	2.4
85.02951	5.5
87.00879	2.4
87.70540	1.7
89.02450	5.2
92.90440	2.0
94.98097	17.2
96.96023	7.7
97.02981	4.8
101.02456	8.3
106.98119	2.9
113.02460	3.3
116.92845	7.0
122.97584	3.0
125.02461	9.6
131.03529	1.9
134.97592	4.3
148.99135	6.5
152.98627	7.8
163.11377	1.8
164.98599	13.0
201.11313	2.8
206.99768	2.6
207.10281	3.7
209.11819	31.9
210.12097	2.7
211.13385	5.7
225.00781	24.1
225.11433	3.0
227.12933	8.8
237.90865	2.1
275.01938	2.6
299.99008	2.9
300.99823	5.5
391.02289	2.2
397.13489	7.5
457.02246	2.1
607.24847	2.2
799.36841	3.8
835.38025	100.0
836.38593	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	835.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.1
62.35722	0.2
69.03447	0.3
69.58683	0.6
69.59065	0.5
71.01387	7.1
72.99310	0.3
73.02964	1.2
73.85408	0.3
80.02686	1.1
80.88987	0.2
81.03489	1.4
83.01399	0.8
83.05036	5.4
84.02169	1.0
85.02958	1.7
87.00886	1.9
89.02450	6.0
95.01385	0.5
95.05023	0.9
97.02958	1.3
97.06567	0.3
99.00897	0.5
101.02460	5.4
105.20199	0.2
109.06585	0.4
111.04556	0.2
113.02470	3.0
119.03525	1.8
124.88922	0.2
125.02463	3.0
125.06052	0.5
125.83875	0.3
131.03523	0.4
135.08170	0.5
143.03526	1.1
147.11839	0.4
161.04597	1.6
163.11322	4.0
164.61237	0.3
165.12875	2.5
171.10275	0.4
179.05632	2.2
181.12331	0.6
191.10751	0.8
209.11844	100.0
210.12177	3.6
221.06703	0.8
227.12909	13.5
228.13165	0.6
230.50214	0.2
235.08252	2.2
238.70363	0.2
247.13487	0.6
251.12920	0.5
253.09322	0.3
263.07843	0.3
287.07721	0.8
305.08826	1.0
323.09796	0.5
376.02463	0.2
379.12552	1.9
397.13528	19.8
398.13812	0.7
415.14548	5.1
416.14725	0.3
441.17523	0.3
455.18536	0.3
607.26312	0.9
625.27075	0.3
799.37238	0.6
803.31238	0.5
817.38605	0.5
835.37390	0.4
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
58.00586	0.3
59.01384	12.5
60.66336	0.1
61.98818	0.1
62.20918	0.1
68.99815	0.1
69.03445	0.4
69.39225	0.3
69.39623	0.2
71.01387	8.3
71.05002	0.1
72.99313	0.3
73.02948	1.3
75.00860	0.2
78.99923	0.1
80.02686	1.1
81.03460	1.9
81.77467	0.1
83.01385	1.1
83.05032	5.5
83.62505	0.1
84.02169	1.0
85.02958	1.8
87.00878	1.7
87.04556	0.1
89.02452	7.0
93.03449	0.2
95.01395	0.6
95.05048	0.7
96.96027	0.3
97.02964	1.4
97.06586	0.3
98.22643	0.3
99.00893	0.3
99.04490	0.2
101.02451	6.0
109.02985	0.3
109.06603	0.3
111.00893	0.2
111.04513	0.3
113.02460	3.4
113.03243	0.2
115.03989	0.2
119.03529	1.9
123.08162	0.1
125.02456	2.4
125.06099	0.4
125.09704	0.2
127.04008	0.1
129.02022	0.1
131.03491	0.4
133.05031	0.2
134.06183	0.1
135.08170	0.6
139.03993	0.3
141.01927	0.3
143.03513	1.3
147.11792	0.1
149.04582	0.2
150.05217	0.1
151.30658	0.1
161.04555	1.7
163.11304	5.0
165.11539	0.2
165.12849	2.5
169.05054	0.1
171.10281	0.8
173.09792	0.1
179.05611	2.1
181.12372	0.7
185.04567	0.1
191.10831	1.0
196.37889	0.1
199.06230	0.1
199.13431	0.1
209.11841	100.0
210.12196	3.3
213.35887	0.1
217.07188	0.2
221.06671	0.8
221.11913	0.2
223.13480	0.3
227.12903	15.0
228.13194	0.5
233.11960	0.1
235.08226	2.2
245.06758	0.2
247.13344	0.8
251.12883	0.5
253.09256	0.5
259.08163	0.2
263.07730	0.2
265.14481	0.3
270.24338	0.1
277.09143	0.1
287.07755	0.6
305.08841	1.0
323.09747	0.5
361.10901	0.2
379.12503	2.3
397.13516	18.3
398.13684	0.8
415.14545	5.6
416.14856	0.2
419.24194	0.3
437.25842	0.2
589.24963	0.3
607.26141	1.0
625.27484	0.1
773.36591	0.2
799.37817	0.8
817.38483	0.2
835.39948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98835	100.0
68.97813	0.1
69.17816	0.2
69.18224	0.7
71.01388	0.4
79.95745	0.2
80.96546	0.5
82.95434	0.2
84.95183	0.1
96.29072	0.1
96.96060	0.3
116.92883	0.2
169.01505	0.3
181.68185	0.1
209.11877	0.4
210.12251	0.2
220.48979	0.1
225.11375	0.2
275.01974	0.1
283.68832	0.2
298.93610	0.2
300.99905	0.3
836.39587	0.5
857.54022	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	837.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
69.03462	0.3
69.70709	1.1
69.71053	0.4
71.01387	13.4
72.99309	2.6
87.00883	1.0
89.02438	2.6
95.01402	0.6
96.95983	0.4
98.22544	0.6
101.02431	0.7
103.59558	0.3
107.01382	1.6
111.00890	0.8
113.02427	0.4
115.00385	33.2
116.00682	0.6
119.05038	24.6
120.05349	0.8
123.00102	0.5
123.00907	5.8
124.01685	3.1
125.02459	7.8
130.92137	0.3
133.01443	100.0
134.01782	1.1
139.00424	0.4
140.01204	1.1
141.01952	1.2
148.09520	0.4
149.09668	0.3
151.00369	3.8
153.01839	0.4
162.82539	0.3
163.04024	26.8
164.04366	0.7
168.00688	1.9
169.01439	10.7
211.02499	5.1
225.19344	0.3
271.04617	4.3
279.05130	5.0
300.99826	1.1
313.06000	0.7
402.44226	0.4
481.17361	0.5
539.21484	0.8
557.22424	75.8
558.22699	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	837.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.2
67.52569	0.7
71.01385	8.4
78.13177	0.6
78.59104	0.7
80.05092	1.1
80.95329	0.7
85.02967	2.0
89.02456	4.5
91.46566	0.8
94.03008	1.3
101.02435	3.9
106.06618	1.7
108.04559	2.4
112.90382	0.8
113.02438	2.9
119.03437	1.2
120.08225	1.0
122.06097	2.0
124.04031	2.3
132.04564	1.7
134.06146	11.2
136.04057	2.1
138.05614	2.9
147.05714	1.8
150.03168	0.7
150.05611	3.4
152.07182	2.1
160.04007	0.9
168.06696	2.1
174.05637	1.3
176.05856	1.2
190.05107	2.2
192.06778	0.8
195.06714	0.9
201.10332	5.8
213.10300	2.6
225.10313	1.4
227.11900	1.7
229.09871	7.9
229.13449	2.2
237.10448	0.9
239.11894	2.6
241.09911	1.3
243.11435	0.8
255.11362	2.0
257.13046	2.1
265.09869	1.1
273.12552	1.4
277.09921	0.9
279.11142	1.0
289.12134	1.8
301.11893	6.0
305.09354	1.5
307.11008	1.2
314.12500	1.2
319.13031	16.4
320.13721	0.8
337.11893	1.4
358.11880	1.0
371.16638	0.8
374.15146	2.3
388.16702	0.9
392.15845	1.6
406.17798	1.0
416.16013	2.9
418.13553	1.2
432.15747	1.7
434.17230	2.3
446.17139	3.0
475.17422	1.2
495.42996	0.8
517.18011	1.5
719.29797	1.2
761.31036	2.8
777.29480	1.2
787.28296	1.3
805.29456	100.0
806.29706	7.8
819.32660	0.8
837.32062	24.2
838.32391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.5
61.07775	3.4
61.98835	100.0
71.01381	12.0
71.43545	3.3
80.96516	10.5
82.88036	4.2
84.96898	3.5
89.02440	4.2
96.96004	16.3
97.06629	4.6
97.56783	2.8
101.02469	6.6
103.45983	3.1
109.06606	8.0
116.92890	25.0
122.14921	3.7
123.00892	4.8
125.02433	4.7
134.89496	6.3
135.08096	5.2
150.77548	3.8
156.41173	3.5
161.95621	3.2
163.11258	8.6
169.01468	6.7
177.36284	3.6
201.11415	4.3
207.10266	28.4
207.80179	3.6
209.11839	84.6
210.12195	9.3
225.11330	15.3
227.12923	21.3
235.08394	4.2
253.09296	8.7
277.36292	3.6
287.16574	9.2
300.99808	10.5
305.17703	8.8
337.23935	3.8
399.22491	3.5
443.19135	6.1
461.20026	6.6
471.34848	13.8
635.30670	33.7
653.31738	35.1
663.03162	4.0
671.33020	40.2
704.35712	4.3
711.86987	3.8
733.37494	5.8
751.39563	11.1
774.47040	3.9
837.40039	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.8
59.62368	0.5
59.87300	0.6
61.98833	7.7
69.03471	0.9
71.01384	6.4
73.02953	1.3
74.24365	0.5
74.47348	0.6
78.91879	1.3
78.95933	0.8
82.95424	1.7
83.05050	0.9
85.00445	2.4
85.02950	1.0
87.00890	2.0
89.02462	4.7
93.07117	0.7
96.96014	3.8
97.02962	0.6
97.06625	1.0
98.21788	1.3
101.02440	4.1
111.08172	14.0
113.02473	2.6
123.08053	0.7
125.02383	0.9
127.07711	0.6
137.09703	0.7
143.03546	0.8
151.11345	0.8
153.09212	0.7
153.12798	1.6
161.04573	1.5
163.11314	0.7
169.12361	6.9
169.80263	0.6
171.10313	0.8
179.05656	0.8
179.19057	0.6
181.12317	1.2
183.13928	1.1
197.11848	76.0
198.12189	1.7
199.13345	3.5
211.13409	9.7
227.12976	2.1
235.08165	3.0
249.15047	0.7
253.09294	18.6
263.20215	3.2
265.18164	2.1
273.18628	1.7
291.19702	24.6
292.19968	0.8
293.21286	1.5
301.00043	1.0
309.20743	100.0
310.21072	5.7
325.19907	0.8
404.63034	0.7
433.20999	1.0
521.01294	0.7
527.28516	0.7
545.29889	2.8
601.41211	2.2
752.67181	0.7
830.29144	0.6
837.50391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.2
61.98819	6.3
63.37286	2.1
66.19759	1.9
69.03430	2.6
71.01380	12.5
77.24335	2.1
77.41118	1.9
78.95898	2.2
82.95352	2.3
83.01395	2.8
83.04984	2.0
85.02976	2.5
88.30765	2.0
89.02453	7.4
89.42216	2.1
96.96015	25.5
97.02904	2.1
97.06581	2.5
98.21855	7.7
101.02438	10.8
111.08157	9.0
113.02450	6.3
125.09733	4.5
131.56729	2.1
137.09802	3.1
161.04543	4.0
167.10791	3.2
169.12366	3.3
171.10217	3.1
182.03830	2.5
185.11859	6.6
191.14391	3.3
195.13832	11.5
197.10132	3.4
197.11826	28.5
201.11331	17.1
209.11887	12.5
211.13315	8.4
223.13359	7.1
225.11282	2.4
227.12978	4.5
235.08232	4.1
239.90662	2.1
245.19069	8.3
253.09296	21.4
255.23242	3.4
263.20056	4.5
274.30255	2.1
275.20111	7.2
277.21732	3.0
289.18103	30.6
291.19678	79.1
293.21240	100.0
294.21719	2.1
307.19098	22.6
309.20810	25.5
397.13605	3.8
481.14343	2.7
486.06482	2.4
549.69037	2.6
641.16553	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	839.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	72.4
69.09905	11.1
70.91409	1.7
88.98792	1.7
93.03441	3.7
98.21879	3.4
109.02974	3.1
121.02959	5.9
122.03770	10.9
123.00862	1.7
123.69992	1.5
136.01697	11.3
137.02466	25.1
149.02457	23.7
150.03244	74.5
151.00389	3.9
151.04025	21.4
152.04808	2.6
164.01221	1.9
164.04765	6.5
165.01945	99.7
165.05582	71.2
166.02727	14.4
167.03596	2.6
175.03944	2.0
176.04857	1.7
176.21130	1.6
177.01945	3.6
177.05545	1.9
179.03496	17.6
179.07098	10.1
180.04303	58.0
181.05087	31.8
192.04250	3.3
194.05835	5.3
195.06642	100.0
205.05025	3.1
207.06699	3.3
209.08208	5.5
210.05351	9.0
211.06129	2.3
220.07387	2.7
223.06219	2.8
225.07689	47.6
240.00876	1.7
250.10005	1.8
280.55215	1.9
282.69345	1.7
378.75272	2.1
387.14642	3.8
403.13962	3.6
417.15570	16.6
565.20880	18.4
595.21881	17.4
613.22986	4.4
643.23743	2.6
743.27087	9.9
773.28931	3.0
791.29517	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	839.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92450	1.1
61.98821	4.6
65.32400	1.2
71.42888	1.5
80.13538	1.2
86.81739	1.3
93.03442	2.6
93.48039	1.2
98.36650	1.3
109.02989	1.4
121.02943	3.1
122.03739	9.1
123.00844	1.4
136.01678	4.0
137.02469	14.5
149.02483	9.2
150.03242	62.8
151.00362	4.3
151.04057	7.4
164.04744	1.9
165.01952	68.5
165.05583	66.9
166.02695	9.4
167.03404	1.8
179.03516	10.2
179.07188	2.9
180.04295	38.2
181.05074	13.6
187.87788	1.3
194.05835	2.8
195.06645	100.0
205.05074	1.6
209.08186	4.0
210.05376	7.6
225.07698	45.6
387.14529	5.2
403.13895	2.2
417.15652	16.2
565.20709	4.2
595.22125	9.5
613.22833	2.0
625.23236	1.5
643.23724	1.8
839.30963	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	839.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	57.6
61.98828	5.2
62.67617	2.0
69.39049	7.9
71.01388	25.7
72.99317	2.6
75.03383	2.1
82.02956	2.8
85.02972	5.1
87.00883	3.0
89.02465	18.3
94.02998	31.4
95.01401	2.5
96.04550	2.2
101.02459	12.8
105.05830	2.6
106.06659	7.1
113.02471	8.8
119.03507	2.7
120.08192	25.7
122.06131	4.8
133.45174	2.2
134.06137	37.4
136.04044	2.9
138.05608	6.7
150.05586	5.1
152.07195	11.6
158.02487	2.9
168.68060	2.4
190.05125	6.5
211.12480	3.1
222.07736	3.2
223.08795	5.6
235.08717	2.7
237.10368	7.1
238.11195	3.8
238.24922	2.0
239.11844	11.0
249.06503	3.2
249.10399	3.9
251.08328	5.6
251.11926	6.4
252.09052	2.9
263.08273	6.5
263.11868	3.7
264.08972	15.0
264.12946	2.2
265.09811	11.4
276.09012	2.3
277.09732	10.0
278.10596	3.1
279.11417	35.2
280.12115	5.7
281.12903	4.5
291.08347	2.0
291.11325	13.7
292.12192	5.3
293.13043	4.6
294.13477	3.3
300.99927	4.9
305.09540	3.9
314.12567	3.1
323.10410	4.5
324.11313	5.0
337.11975	4.7
354.12283	2.7
370.15497	3.3
372.16983	2.8
384.17151	3.6
386.18692	2.4
426.18338	3.7
444.19250	4.2
462.20273	4.4
471.17847	3.8
472.18716	3.7
473.19635	3.8
490.19919	10.9
606.24677	6.8
627.26538	2.2
650.23529	8.7
651.14709	2.4
651.24249	11.9
682.26361	17.0
683.27063	2.8
699.70874	2.5
747.28876	29.8
779.31366	43.2
780.31396	4.6
788.61847	2.2
789.29895	26.9
807.31055	100.0
808.31787	11.6
821.32770	17.2
822.32794	3.3
839.33539	54.0
840.33734	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	839.38
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.5
61.98834	17.6
66.06344	3.4
69.03445	4.1
71.01386	100.0
73.02940	7.0
80.91689	5.6
81.03454	5.8
82.95425	42.5
83.05041	5.6
84.95113	6.5
85.00436	32.7
87.00846	3.3
88.98819	18.3
89.02463	8.0
91.89077	3.0
95.05033	4.5
96.96013	27.8
97.02940	11.6
97.06619	3.7
98.95623	5.9
101.02430	10.6
109.06611	33.8
110.03735	6.1
110.80446	3.0
113.02476	6.7
116.92854	10.7
125.09711	14.6
127.11193	3.4
136.05331	3.3
137.09738	4.2
151.11259	3.7
161.04514	4.9
161.09721	4.7
163.11305	23.5
171.10307	30.6
179.10800	4.8
181.12386	4.2
185.11833	7.0
187.09737	11.9
192.96107	3.0
197.11792	7.1
199.09775	20.1
201.11276	6.9
205.08919	3.6
205.12315	7.3
207.08319	4.1
207.10281	81.5
209.11853	57.4
215.12927	8.4
223.09734	12.7
223.13400	68.4
225.11307	53.9
227.12837	9.3
227.40923	3.2
229.71828	2.9
235.08124	9.5
253.09248	22.9
283.19427	3.0
291.19699	14.9
293.21185	5.7
461.20181	13.4
503.21118	4.5
607.27606	5.0
625.28058	7.7
642.05634	3.9
643.29395	4.1
669.30176	3.9
687.32947	4.3
709.34137	11.0
753.32745	14.9
777.40741	11.4
794.39978	3.5
795.40912	4.7
839.40045	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	839.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.9
61.98833	13.5
63.28207	1.7
65.91608	1.5
66.95944	3.0
69.03455	2.1
69.18259	10.0
71.01386	100.0
73.02961	4.6
80.02725	1.7
80.91701	1.9
81.03460	3.5
82.95424	77.8
83.01402	1.9
83.05034	4.7
84.95110	3.4
85.00433	14.6
85.02966	4.0
87.00900	3.1
88.43758	1.6
89.02451	6.4
90.63848	1.8
93.03452	2.2
95.05011	2.4
96.96050	3.5
97.02966	7.4
97.06596	3.4
98.68938	1.5
99.00884	3.6
101.02467	8.3
108.48027	1.5
109.06602	30.5
110.03735	2.8
113.02476	4.8
116.92861	2.1
118.66743	1.5
123.08181	2.1
125.02425	1.7
125.06064	1.9
125.09731	7.4
130.60234	1.8
135.08176	5.2
136.05313	1.6
145.36610	1.9
155.10828	2.6
161.04596	3.8
161.09717	5.8
163.11305	19.6
171.10275	23.1
171.45535	1.7
179.05556	2.4
179.10794	5.0
181.12341	8.1
185.11852	3.7
197.11929	3.6
199.09764	7.1
201.11331	7.2
205.08739	6.0
207.10277	75.0
209.11855	49.9
213.11359	1.8
215.12857	5.3
223.09814	11.6
223.13367	9.9
225.11333	49.5
227.12796	7.6
235.08263	5.7
243.12337	1.9
253.09320	22.3
291.19727	5.9
293.21280	9.1
327.21695	5.0
415.21133	2.2
461.20541	10.6
607.27881	2.2
616.31000	5.2
625.28961	2.9
632.67853	1.9
669.31488	2.5
709.34753	2.0
839.45013	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67474	1.4
59.01377	12.2
59.91071	1.4
61.98841	5.1
69.03474	2.3
69.72060	1.3
71.01389	39.5
73.02974	1.5
81.03463	3.0
83.01397	3.7
83.05031	5.5
84.02161	2.2
85.00474	2.4
85.02959	5.0
87.00873	3.8
88.74765	1.6
89.02448	4.3
95.05062	3.6
96.96011	2.2
97.02962	4.1
97.06599	6.0
99.00906	4.9
101.02458	8.6
107.05071	1.9
109.06617	13.1
110.00427	1.5
110.03790	2.0
111.00863	2.4
113.02475	3.7
119.28361	1.8
123.04573	2.6
125.02496	1.7
125.06069	11.0
125.09756	10.4
135.08156	2.4
135.42401	1.6
139.07672	3.5
141.09222	2.8
161.04550	2.3
161.09735	2.4
163.11337	11.8
168.57060	1.7
169.08719	15.9
171.10284	14.8
177.05600	3.0
181.12274	3.5
185.11819	4.3
187.09735	1.9
191.10800	2.6
197.11879	6.5
199.09743	5.2
201.11356	8.8
207.10271	37.2
209.11844	100.0
210.12163	4.1
211.13354	2.7
223.09813	2.1
223.13420	5.8
225.11316	22.3
226.11833	2.9
227.12910	20.3
235.08267	5.8
241.14461	46.0
243.12367	1.8
253.09265	23.3
277.18118	1.7
287.16483	2.4
303.16006	3.6
305.17572	15.3
307.18973	2.3
321.17218	2.3
321.20880	3.8
341.23328	22.1
461.20422	6.2
584.34131	1.7
698.31506	1.9
785.42725	2.4
795.42126	3.6
839.41156	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	839.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.6
61.98830	19.9
66.21948	2.1
69.03455	2.4
71.01381	21.4
71.43888	2.2
79.95723	2.2
80.96520	3.3
81.03454	4.0
82.95418	25.8
83.05006	2.7
85.00460	2.1
85.02921	3.0
87.00863	3.4
89.02444	7.0
95.05025	2.9
96.96025	4.4
97.02970	17.4
97.06561	3.3
99.00859	2.5
101.02437	9.5
109.06593	5.2
111.08150	7.1
113.02420	5.3
123.08154	4.5
125.09728	5.5
133.11340	2.3
149.09700	2.1
161.04555	4.3
163.11235	9.2
169.12323	3.7
170.27878	2.4
171.10291	12.7
179.14383	4.4
181.12309	3.5
197.11829	30.8
199.09717	3.5
205.12369	4.3
207.10234	19.9
209.11842	21.0
210.12073	2.7
211.13376	9.8
223.13405	100.0
224.13716	5.3
225.11333	18.0
227.12814	4.8
235.08163	5.4
253.09264	15.0
267.12329	5.7
280.87866	2.4
287.16357	2.8
291.19666	8.6
305.17715	2.6
309.20639	13.5
341.23276	6.0
461.20465	4.0
474.53268	2.4
503.21805	2.7
607.28204	3.0
795.41754	96.2
796.42090	14.2
839.40759	42.5
840.40942	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	839.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.3
60.21301	2.4
61.98840	21.2
65.20840	2.6
66.95911	3.6
69.39961	7.1
69.40366	5.3
71.01377	17.2
71.94798	2.8
80.91705	5.5
81.03486	2.5
82.95421	100.0
83.04976	2.4
84.95116	6.6
85.00446	16.1
85.02950	3.4
87.00886	2.9
89.02460	7.6
95.05048	4.1
96.96008	5.8
97.02963	15.4
97.06619	3.5
98.22629	4.8
101.02457	9.3
109.06577	6.7
111.08189	5.7
113.02452	3.3
123.08152	3.4
125.09717	4.4
138.26343	2.5
161.04552	3.5
163.11284	11.0
169.12396	4.2
171.10326	12.6
177.12961	2.9
179.14328	3.2
197.11856	31.4
199.09793	6.9
205.12367	3.6
207.10272	18.6
209.11838	25.6
211.13358	9.6
223.13408	63.0
225.11313	13.8
225.15067	3.3
227.12831	3.7
235.08304	4.6
241.14511	5.3
249.11334	3.1
253.09285	11.8
289.17749	3.5
291.19772	5.7
300.99872	4.1
305.17621	3.2
309.20746	15.2
341.23294	4.5
449.09415	2.5
625.29260	5.4
643.29614	5.2
664.35095	3.4
691.27863	2.9
795.41748	68.2
796.42523	8.4
839.40735	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.1
60.27552	2.9
61.98819	22.0
70.91280	5.9
71.01392	14.1
80.91687	8.4
81.07854	3.3
82.95415	35.8
84.95134	9.0
85.00450	33.9
96.96036	3.7
101.02427	3.9
101.10838	3.1
103.01494	6.6
109.06635	5.6
113.02514	5.1
125.02554	4.1
125.09715	5.2
163.11331	6.4
167.72682	3.1
171.10268	12.5
181.08653	3.1
181.12396	4.0
185.11832	5.1
190.87718	3.2
194.29018	3.2
197.11821	6.4
199.09824	3.8
201.11237	5.5
207.10323	8.6
209.11844	100.0
223.13307	4.4
225.11302	19.5
227.12849	24.2
235.08162	4.6
245.19072	6.5
253.09218	15.5
289.18036	21.3
291.19623	10.6
307.19189	22.6
309.20697	13.4
335.74103	4.5
461.20590	4.2
598.42944	3.3
780.20233	3.9
839.41473	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	839.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.6
61.98840	10.7
64.30162	2.0
65.63393	1.9
66.36597	1.9
69.25564	10.9
71.01395	22.1
80.96520	2.5
81.03474	2.8
82.95423	8.4
83.01391	3.8
83.05029	5.8
84.88866	1.9
84.95121	6.5
85.00452	14.2
85.02936	5.7
89.02456	4.3
95.05035	2.6
96.96042	3.7
97.02946	5.3
97.06592	5.7
97.99761	1.9
101.02466	7.5
104.20075	1.9
106.19854	2.3
107.05024	1.9
109.06617	18.8
113.02467	4.1
125.02478	3.3
125.09743	6.3
129.45238	1.8
135.08171	2.8
161.04524	3.4
163.11285	14.4
171.10262	19.2
181.12418	2.2
185.11751	2.1
193.12415	4.3
197.11992	3.1
201.11310	4.0
207.10263	54.2
209.11838	100.0
211.13420	6.3
223.09831	2.8
223.13286	9.4
225.11346	31.0
225.14780	9.7
227.12886	21.9
235.08246	6.7
241.14444	29.6
243.15926	2.9
253.09322	26.9
272.42651	2.3
275.01968	2.7
291.19611	5.7
301.00043	2.9
309.20959	2.7
321.20724	6.5
341.23318	70.5
443.19040	2.3
461.20120	11.3
534.50409	2.5
642.10876	2.1
785.43378	9.9
786.43848	4.1
795.41986	9.0
839.40533	10.1
871.19427	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	839.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.3
61.98835	38.7
69.09364	29.4
70.21634	4.9
71.01390	18.0
73.58480	4.6
80.96490	6.1
82.95416	14.1
83.05044	6.8
85.20535	3.6
96.96003	5.6
97.78994	3.7
98.21897	9.9
101.02470	9.7
105.31704	4.1
109.06598	9.4
113.02432	8.2
116.92852	8.7
125.09697	4.2
150.94974	4.4
163.11304	7.5
171.10278	17.4
176.38661	4.1
185.11798	5.7
207.10286	10.9
209.11845	100.0
225.11365	14.6
227.12926	21.0
253.09343	15.9
289.18201	11.4
300.99939	9.3
307.19180	40.3
325.20264	22.9
341.23471	6.6
525.27283	9.4
543.28094	13.4
684.33282	5.3
723.36340	5.5
735.39764	17.5
753.40698	25.4
771.42651	9.6
839.41516	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01733	0.6
75.00900	0.7
79.95737	0.7
82.95424	0.7
85.00459	3.0
96.96021	16.9
96.96616	1.0
98.95687	0.6
103.00480	7.6
103.01505	59.1
116.92875	1.4
196.37674	0.6
209.11902	0.8
253.09459	1.0
275.02393	0.8
276.41324	0.6
277.21863	0.7
293.21143	0.7
300.99768	0.9
309.20877	1.1
311.22388	0.8
343.21594	0.8
442.13675	0.7
448.38367	0.7
489.12057	0.6
717.02747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.3
61.98841	3.0
62.32131	0.4
62.57005	0.5
68.32248	0.5
69.03448	1.2
71.01387	9.4
71.04990	0.5
72.01714	0.4
73.02937	1.8
79.86205	0.4
80.57534	0.5
82.95406	2.6
83.01395	1.0
83.05020	1.3
84.95114	1.4
85.00454	3.8
85.02951	4.3
85.46793	0.5
87.00887	2.5
89.02461	3.7
95.05022	0.8
96.96008	1.8
97.02928	1.5
97.06586	3.0
99.00914	0.6
101.02446	6.1
109.02954	0.5
109.06591	1.8
111.04492	0.5
113.02460	3.1
119.03471	0.9
121.55365	0.5
123.08151	0.5
125.02463	0.6
125.09717	1.5
127.11285	1.1
137.09743	1.1
141.79541	0.5
143.03412	0.6
145.05016	1.0
155.10814	0.9
160.08528	0.5
161.04568	3.4
163.11259	1.3
165.12820	0.7
167.14433	0.7
169.01396	0.6
171.10286	12.7
172.10614	0.5
177.09274	0.6
177.12933	0.7
179.05760	0.6
179.10719	0.6
179.14363	1.0
181.12265	0.8
183.13899	2.1
185.11807	0.8
193.12234	0.7
195.13895	7.6
196.14552	0.9
197.11804	1.0
201.11282	1.2
205.12338	0.6
207.10269	4.8
209.11815	5.0
211.13414	13.0
215.12810	1.0
221.11856	2.6
223.09801	0.9
223.13393	6.0
224.14233	0.9
225.11357	3.3
227.12836	1.2
229.14473	10.7
235.08250	6.9
239.12897	1.6
253.09306	32.4
254.09511	0.6
256.13107	1.3
275.01993	0.8
275.20178	5.5
291.19623	5.0
293.21249	100.0
294.21631	4.4
300.99814	0.7
302.00064	0.5
309.20691	6.9
327.21777	72.0
328.22220	3.2
461.20596	0.9
492.22305	0.7
529.30212	2.2
545.29926	1.4
563.30847	5.8
603.42731	3.6
604.43842	0.6
687.32367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.97700	0.4
69.18382	1.9
78.59290	0.4
79.47430	0.3
137.02481	0.5
150.03331	0.7
151.10602	0.3
165.01958	0.9
165.05673	0.6
166.02718	0.5
180.04254	0.5
181.04936	0.6
184.89050	0.4
195.06703	0.9
196.07039	0.6
202.13184	0.4
203.07712	0.3
215.86383	0.3
216.55177	0.3
257.95532	0.3
387.14511	0.4
403.13425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
69.93136	0.5
72.40202	0.3
73.02941	0.9
75.00874	1.0
85.00465	0.3
99.00883	0.7
99.92588	11.5
100.92564	0.4
114.93436	0.6
116.92870	100.0
116.97255	2.7
117.01932	2.1
117.92883	3.1
209.11668	0.3
209.66974	0.2
266.10962	0.3
348.55518	0.2
538.12891	0.2
606.21289	0.3
753.71918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.5
59.29675	3.4
60.99300	5.0
61.98835	7.7
69.28435	20.1
71.01388	47.3
82.95423	22.1
83.05010	4.5
84.95123	34.7
85.00442	100.0
87.00854	4.9
88.98808	33.2
89.02469	7.4
101.02460	7.6
108.37391	3.8
109.06602	8.8
116.92894	4.3
127.11287	3.7
149.05928	3.4
161.04549	5.6
163.11319	6.2
169.01358	5.2
171.10263	31.7
190.42480	3.9
197.11839	5.8
199.09702	8.0
201.11330	9.9
207.10242	27.5
209.11856	87.2
211.13409	4.1
225.11334	35.8
225.14984	7.0
226.11836	4.6
227.12993	20.8
235.08153	5.3
241.14438	7.9
253.09245	18.1
274.00998	4.2
275.01990	5.2
291.19757	4.4
300.99887	8.3
341.23199	17.0
461.20273	8.9
653.30042	6.8
797.43054	8.3
823.38623	9.2
841.42773	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.99334	0.8
61.98841	2.6
68.95620	0.6
69.25058	4.0
71.01383	15.9
73.02962	1.0
75.00877	1.3
82.64160	0.7
82.95425	4.5
83.05013	0.9
84.00927	1.6
84.95125	15.0
85.00438	67.7
85.58349	0.7
87.00888	3.5
88.98801	5.0
89.02463	1.3
93.91618	0.7
97.02973	2.2
97.06588	0.7
98.21902	1.6
101.02468	1.5
103.00458	10.6
103.01500	59.5
104.01837	0.8
109.06590	5.5
123.47972	0.6
125.09745	1.4
129.60251	0.8
135.08194	0.9
161.04610	1.3
161.09692	0.8
163.11314	4.1
166.81010	0.6
171.10289	4.2
181.12340	1.2
185.11951	1.3
197.11893	1.5
199.09782	1.3
201.11360	1.8
207.10271	10.7
208.10692	2.1
209.11877	12.1
210.12318	1.5
215.12979	1.8
223.09750	3.5
223.13467	1.2
224.13766	1.0
225.11369	7.0
226.11797	1.0
227.12895	1.8
235.08252	0.8
243.12500	0.7
253.09370	3.0
291.19769	1.8
301.00012	1.3
457.90515	0.7
461.20422	2.0
462.20920	0.8
588.29968	0.8
659.63062	0.7
755.34558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.6
61.98833	18.0
65.54361	4.8
71.01408	13.9
71.42168	4.9
78.45681	4.2
83.05041	5.5
83.48161	4.3
96.95980	4.8
98.60084	4.8
101.02460	7.5
106.18706	5.0
111.00893	5.3
113.02409	4.5
113.90189	4.7
116.92871	20.1
117.08049	4.7
123.00882	5.2
124.95541	4.3
125.02506	5.6
134.89505	5.4
136.89136	11.6
163.11337	5.4
169.01488	6.5
171.10272	13.0
197.11879	6.3
201.01932	4.8
201.11357	12.5
203.03615	7.1
207.10162	10.1
209.11850	100.0
211.13457	7.4
225.11409	12.4
227.12938	16.6
235.08347	16.1
253.09323	32.3
257.00931	6.2
275.02060	5.3
279.74179	4.6
300.99945	22.7
305.17664	6.3
309.20798	12.6
327.21732	57.9
376.02786	5.8
376.38831	4.4
390.02213	12.3
390.52673	7.6
391.02914	8.5
445.20758	16.1
463.21658	5.1
506.79843	5.2
519.33331	5.4
521.38879	4.8
541.25946	5.3
545.29810	13.5
550.75079	5.0
553.96594	4.7
563.30853	9.8
755.42841	11.7
773.43170	6.1
841.43927	31.6
842.42944	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	841.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98840	0.2
71.01398	0.2
71.43887	0.3
77.03996	0.3
78.74972	0.2
85.26689	0.2
91.13234	0.2
93.38869	0.2
107.02510	0.2
116.92875	0.7
119.05049	1.0
120.02218	0.2
121.02966	99.6
122.03313	2.1
132.73703	0.2
147.04533	5.8
148.04785	0.2
191.03513	100.0
192.03847	3.7
209.11826	0.3
271.47318	0.2
314.51025	0.2
351.62979	0.2
388.88385	0.3
396.10184	0.2
472.77164	0.2
487.34302	0.5
506.37878	0.3
597.38525	0.2
628.93585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.8
60.84175	1.0
67.01890	2.9
69.03452	2.6
69.32677	6.0
70.30118	1.1
71.01374	2.8
75.40606	1.0
79.01904	3.7
81.03452	2.1
83.01400	1.3
85.02937	1.4
85.17709	1.1
87.00887	2.9
95.01397	13.8
96.95998	1.5
97.02943	4.5
101.02486	1.9
102.98631	1.3
107.01411	11.2
108.02162	3.1
111.00896	3.9
113.02446	1.6
123.00903	53.9
123.04456	1.7
124.01684	30.2
125.02464	65.8
127.00394	2.7
128.81238	1.1
136.98820	2.3
137.02452	2.2
138.03247	3.2
139.00394	8.7
140.01190	10.3
141.01981	5.9
149.02443	1.8
150.03230	4.7
151.00389	7.3
151.03999	2.0
152.01126	2.0
153.01906	1.3
154.99797	1.0
165.05577	3.6
166.02664	1.2
166.99886	19.8
168.00667	24.4
169.01443	74.0
170.01799	1.6
177.04053	1.2
181.01465	1.9
182.02118	1.4
183.02937	3.5
211.02489	10.8
225.04082	1.6
237.04105	2.4
283.99835	1.4
297.06201	1.4
300.99860	2.6
313.05756	1.3
470.17795	1.2
476.12921	1.6
477.13812	2.0
494.14456	1.5
495.14874	1.3
526.98041	1.3
645.15259	2.1
646.15405	24.9
647.15826	1.9
691.22296	2.7
701.16992	3.8
825.22430	3.9
825.36530	1.3
843.23590	100.0
844.23792	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	843.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01698	0.5
61.98847	1.3
62.16696	0.5
62.18626	0.4
70.54297	0.6
71.01404	1.2
75.00879	1.1
84.95111	0.6
85.00437	1.4
88.98819	3.0
97.60217	0.4
98.22680	1.3
99.92596	0.9
103.00474	9.7
103.01505	70.1
116.92859	6.7
171.10316	0.9
209.11749	1.3
211.30603	0.5
218.18903	0.5
275.06140	0.5
291.19601	0.6
418.22946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01714	0.8
60.99302	1.2
61.98830	1.5
69.02486	0.5
71.01396	1.1
72.99327	1.2
75.00885	1.2
84.95168	0.5
85.00434	2.0
88.98816	5.0
89.02428	0.4
103.00475	8.9
103.01501	64.4
133.79001	0.4
171.10187	0.8
207.10129	0.6
209.11803	1.3
228.88422	0.5
253.09187	0.4
258.63297	0.5
269.31012	0.4
291.19611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.1
84.95148	1.8
86.29117	1.2
93.03474	2.2
96.96013	1.6
97.14722	1.6
106.00011	1.3
117.49725	1.2
121.02991	4.4
122.03751	13.2
136.01671	3.5
137.02499	3.6
143.08008	1.6
149.02437	14.8
150.03242	81.6
151.04031	13.0
164.04826	6.4
165.05579	100.0
166.02715	4.3
166.05939	3.4
179.07173	10.9
180.04282	7.7
181.05103	8.3
195.06639	91.6
196.06963	2.9
219.06679	2.6
387.14536	2.9
399.53070	1.6
416.14627	1.6
417.15485	12.6
418.15875	2.5
545.55530	1.6
565.20844	19.4
595.21387	2.5
613.22809	10.3
713.25824	7.3
714.15924	1.5
743.26575	1.7
761.28577	6.1
791.29706	2.5
809.30499	11.7
810.30261	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	845.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67939	1.2
61.98820	2.4
64.96038	1.2
66.91554	1.4
82.95419	6.0
93.03466	2.9
108.02159	2.1
121.02973	6.4
122.03741	14.1
123.04485	1.9
132.02206	2.0
133.02963	2.7
134.03725	2.4
136.01674	6.1
137.02441	3.5
138.03238	1.5
146.03722	2.3
149.02477	24.1
149.06075	4.5
150.03241	99.3
151.04033	28.4
161.02415	1.5
162.03247	2.3
164.04790	6.9
164.24496	1.4
165.05589	100.0
166.02776	7.6
166.05914	3.5
177.05583	4.5
179.07140	13.7
180.04327	5.0
181.05057	9.5
195.06650	57.8
196.06952	2.6
205.05136	2.6
219.06702	2.5
294.78937	1.6
367.11948	2.8
417.15643	11.1
466.31647	1.5
550.19226	1.6
564.19873	2.1
565.20819	26.0
566.21448	2.1
595.21936	5.7
613.22772	14.7
661.33826	1.5
667.24060	3.3
713.26355	12.5
743.27496	7.7
761.28290	11.6
773.28723	2.6
791.28619	4.0
792.27905	1.7
809.30554	16.2
810.30243	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	846.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.2
70.47854	4.2
71.01377	4.6
71.16664	5.6
72.04292	4.3
89.02496	4.6
98.55961	3.9
101.79362	4.1
105.13123	4.2
111.08143	7.1
113.83386	4.6
151.56847	4.0
158.83354	4.2
159.61426	4.3
165.17892	4.6
170.45615	5.1
172.21324	4.1
195.13861	4.5
209.11826	11.9
223.13234	6.3
253.09290	10.4
255.23148	5.5
291.19656	100.0
293.21228	68.9
437.87448	4.1
469.10623	4.6
527.28729	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	847.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
61.98838	5.1
70.66248	2.0
71.01383	7.5
73.62455	2.0
89.20579	2.2
93.03471	4.4
96.96024	8.5
97.02962	7.1
108.05801	3.3
109.76570	2.4
111.04512	2.7
113.06106	5.1
115.32039	2.1
121.02969	4.9
122.03757	22.9
123.08140	3.3
125.06085	10.7
133.03035	2.4
135.08171	2.5
136.05312	6.6
137.06090	5.1
138.06863	11.4
139.07648	16.2
148.05295	4.5
149.02461	23.0
150.03246	100.0
151.07672	36.4
152.04822	3.9
152.08430	11.9
153.09200	6.2
161.09669	2.6
163.07695	5.5
164.04770	5.9
165.05586	97.3
177.05606	3.0
180.04276	6.1
195.06639	72.8
201.12936	9.2
203.10767	7.4
204.11565	26.0
219.13905	40.2
263.12946	31.0
319.04736	6.7
323.09201	3.3
326.11359	2.9
327.08667	5.0
339.08701	7.6
339.12338	3.1
341.13895	3.3
342.11160	6.8
354.10995	5.0
357.13419	25.2
369.13443	40.5
370.14066	2.6
505.19217	4.9
535.19769	79.3
536.20020	5.0
553.20575	3.5
583.22058	63.1
584.21954	3.1
775.81451	2.3
787.48358	8.8
814.73688	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	847.413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.0
71.01381	6.1
73.02956	1.8
75.56541	1.8
85.02954	2.6
87.00887	21.8
93.26179	2.0
97.06585	2.7
101.02424	3.6
101.98101	1.8
121.02980	3.3
130.99895	4.0
146.03764	4.2
147.04588	3.1
169.01477	2.2
172.05283	3.1
173.06071	2.3
175.07620	12.2
190.06409	3.3
200.04805	7.3
201.09247	6.0
203.07248	5.5
215.07115	2.1
217.08691	5.1
219.10304	12.1
227.10837	2.9
229.08691	17.6
245.08231	2.5
247.09718	3.4
273.07855	9.7
300.99948	3.6
305.14053	2.0
333.09830	9.0
351.10870	100.0
352.11270	7.2
356.43661	1.9
358.50311	1.8
383.13538	4.9
398.72665	1.8
407.71106	2.0
787.42072	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	847.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.3
60.99297	3.4
61.98837	100.0
71.01387	51.8
72.50203	3.3
75.00877	8.7
78.91917	3.9
82.25033	3.5
83.05021	5.1
85.02985	3.0
88.69069	2.9
88.98829	9.5
89.02471	3.3
95.23138	3.1
96.96043	3.9
102.34332	3.1
105.01942	8.8
109.06599	9.6
125.09754	3.5
163.11308	6.4
171.10303	16.3
176.33693	3.1
186.80077	3.3
201.11310	7.6
202.40747	3.4
207.10274	23.0
209.11841	77.9
221.08212	3.0
225.11331	20.6
227.12875	14.4
253.09372	9.6
275.02060	4.5
300.99872	6.0
391.02887	4.6
461.20334	3.4
562.83771	4.9
671.32794	5.2
811.07031	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	847.489
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28415	7.4
71.01383	10.6
78.98598	4.1
79.95747	15.9
80.96526	98.9
89.67687	3.1
94.98116	21.9
104.69569	3.3
106.98050	2.8
122.97499	3.1
134.97643	7.5
148.99185	6.3
152.98640	4.6
164.98640	10.3
184.75996	3.6
225.00813	19.2
601.07007	3.7
639.75165	3.3
706.56030	3.3
818.26648	3.6
847.48962	100.0
848.49048	8.4
881.38892	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	847.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.2
61.19981	0.5
61.98827	1.8
71.01387	28.3
72.99326	1.0
73.02954	12.7
75.00874	0.7
81.03454	0.7
83.01389	5.5
84.01727	0.6
85.02956	17.7
86.00120	0.6
87.00875	2.8
87.04533	0.7
88.98806	0.9
89.02449	4.3
95.01379	2.5
96.96041	0.7
97.02926	0.8
98.21844	1.0
98.26013	0.5
99.00883	4.0
101.01801	1.2
101.02449	19.8
103.04028	1.1
107.06882	0.6
111.00877	1.3
113.01711	1.0
113.02452	11.5
114.07255	0.5
115.04012	1.5
119.03468	1.1
124.77422	0.5
125.02462	1.8
125.09708	0.7
131.03487	0.8
135.04547	0.7
139.08504	0.5
143.03395	1.1
159.02985	1.6
159.62141	0.6
160.69122	0.5
161.04558	5.6
163.06062	0.6
165.01907	1.9
169.01422	1.2
175.03958	0.9
180.04248	1.3
181.05058	1.0
195.06610	0.9
205.07164	0.8
225.07640	1.5
237.93217	0.6
300.99887	1.8
315.23297	1.5
330.51474	0.5
333.24408	1.2
351.10568	0.7
359.15033	1.8
417.15375	0.7
479.37515	2.3
599.24915	0.9
641.42694	13.7
642.42566	0.8
787.48553	100.0
788.48657	7.4
838.97839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
59.19651	0.1
61.98835	100.0
71.01399	0.2
79.95779	0.2
86.51633	0.2
88.98830	0.2
96.96021	1.2
98.22683	0.4
116.92872	0.5
139.49300	0.1
275.02100	0.2
300.99957	0.2
344.59872	0.3
422.69318	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	848.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43787	0.2
61.98835	100.0
69.89772	0.2
71.01387	0.4
72.99316	0.3
78.91904	0.5
80.96503	0.2
82.88307	0.2
84.57590	0.3
88.98839	0.3
96.96023	0.5
101.77602	0.2
155.79503	0.2
186.13293	0.3
209.11894	0.7
250.07217	0.3
300.99875	0.3
423.94168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
67.07461	0.1
69.67345	0.3
69.67705	0.5
71.01376	0.2
72.99304	0.3
78.91917	0.2
79.95756	0.2
80.96525	0.3
88.98855	0.2
96.96021	0.3
183.37669	0.2
209.11894	0.4
225.01003	0.2
246.08170	0.2
419.24667	0.2
630.98145	0.2
732.53113	0.2
736.73663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
59.39307	0.1
61.98835	100.0
62.98536	0.2
65.06029	0.1
69.80872	0.2
69.81188	0.3
71.01388	0.6
75.00867	0.2
78.05377	0.2
80.96536	0.2
88.98830	0.4
89.02444	0.2
94.98119	0.2
96.96036	0.3
98.22643	0.2
101.02390	0.2
120.46846	0.2
124.83880	0.1
129.17609	0.2
166.42609	0.2
171.10345	0.3
207.10355	0.4
208.79106	0.2
209.11809	1.3
210.12201	0.3
223.09856	0.3
253.09081	0.2
387.94791	0.2
397.13492	0.2
701.30115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98840	3.0
71.01419	1.7
72.20708	1.3
73.99075	1.4
84.76258	1.2
89.02442	2.1
101.02425	1.7
116.92869	2.9
117.14650	1.4
119.03517	2.0
126.90436	2.0
152.14845	1.4
161.04547	2.1
172.52588	1.5
195.13980	7.6
205.05460	1.5
223.13367	4.2
253.09305	19.1
255.23112	1.5
263.53152	1.7
275.20184	5.9
293.21255	100.0
294.21591	4.1
332.26480	1.5
361.23260	1.4
520.30103	1.6
529.30408	2.0
569.42346	2.7
623.75677	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	849.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.0
61.98835	5.9
68.54964	1.1
68.99807	2.5
69.03444	2.3
71.01383	29.2
71.42451	1.7
72.99309	2.8
73.02956	2.9
80.02665	1.3
83.01385	3.3
83.05042	7.4
84.02186	2.0
85.02953	6.8
87.00861	5.6
89.02444	14.9
95.01409	1.7
95.05009	2.1
96.96017	3.7
97.02956	4.6
97.06577	2.6
99.00872	2.4
101.02445	11.4
107.05031	1.2
110.03731	4.8
111.04520	11.9
113.02454	9.8
116.92848	3.6
117.34365	1.2
119.03500	4.4
123.00909	1.7
123.04485	1.5
125.02464	7.2
125.09731	4.0
126.90444	1.8
127.11340	1.4
135.08180	2.5
137.09766	1.6
143.03471	1.5
151.11301	3.3
158.93936	2.3
161.04549	3.9
161.09734	5.0
163.11308	5.4
165.12784	3.3
171.10258	27.0
177.09215	2.4
179.05641	4.2
179.10771	9.9
181.12325	1.5
185.11845	2.6
191.10732	1.9
197.11888	4.8
201.11342	4.1
205.08704	7.3
207.10324	4.3
209.11845	100.0
210.12222	3.4
213.11334	2.1
221.06633	2.6
223.09767	39.6
223.13358	3.6
225.11317	2.6
227.12918	14.8
234.94035	1.3
235.08232	4.1
241.10672	2.7
241.14398	2.1
253.09195	2.0
275.02081	3.3
281.33524	1.4
299.98904	1.4
300.99951	3.2
305.08524	1.4
317.29391	1.3
379.12357	4.8
397.13489	31.0
398.13809	1.2
398.58481	1.2
415.14618	9.6
415.20096	1.8
416.20950	1.2
569.24438	1.7
589.24414	1.8
603.23090	4.7
607.25970	2.5
621.23981	5.1
763.40875	1.4
795.34973	2.5
813.35284	5.8
831.36987	11.1
849.37183	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	849.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.6
60.47180	0.8
61.42249	0.9
63.16364	0.9
69.03466	6.4
70.52314	1.0
71.01385	14.5
71.05021	1.5
73.02947	2.8
74.88307	0.9
80.02658	1.8
81.03474	1.2
83.01369	1.6
83.05031	6.7
84.02191	1.4
85.02939	3.9
87.00904	1.9
89.02451	8.8
93.86810	0.9
95.01378	1.8
95.05017	1.2
97.02962	1.8
97.06581	1.9
99.00854	1.2
101.02464	8.5
109.06551	1.0
111.04558	1.2
113.02448	4.1
119.03484	2.1
121.09238	0.9
123.08147	0.9
125.02469	2.2
125.09685	2.8
135.08200	1.1
143.03476	1.1
151.11328	3.1
161.04494	1.4
161.09744	3.9
163.11296	4.2
165.12772	2.2
179.10794	5.7
191.10774	1.5
197.11842	43.8
209.11847	65.6
210.12408	1.0
221.06705	1.8
223.09666	1.3
225.11275	1.6
225.89259	1.1
227.12885	2.8
235.08197	1.4
241.10847	5.3
262.38950	1.0
397.13385	2.0
415.14886	1.3
621.24030	1.1
849.37695	100.0
850.38379	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	850.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.98833	100.0
69.32210	0.7
71.01384	0.3
71.51114	0.1
78.91904	0.2
79.95748	0.3
80.96525	0.4
87.00863	0.2
94.92548	0.1
94.98109	0.2
95.72141	0.1
96.96014	1.1
98.22665	0.2
111.04502	0.1
139.77151	0.1
141.57707	0.1
163.85167	0.1
209.11879	0.5
236.15431	0.1
253.09409	0.2
304.17844	0.1
453.90826	0.1
671.22552	0.1
850.40063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98836	100.0
62.98544	0.1
71.01395	0.3
80.91689	0.2
80.96546	0.2
83.56774	0.1
87.30344	0.1
96.96040	0.2
108.97669	0.1
112.63618	0.1
169.01492	0.1
171.10271	0.1
201.11697	0.1
207.10342	0.1
209.11905	0.7
225.11366	0.2
227.12909	0.1
275.02075	0.2
300.99982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01416	0.1
78.91881	0.1
80.96535	0.1
96.19373	0.1
96.96050	0.2
121.59341	0.1
125.29438	0.1
146.93855	0.1
176.08583	0.1
209.11835	0.1
263.29324	0.1
305.17529	0.1
313.51260	0.1
368.40945	0.1
411.50510	0.1
444.19357	0.2
472.88742	0.1
506.40344	0.1
634.61401	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	850.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.98835	100.0
63.99258	0.3
66.12720	0.2
71.01414	0.2
71.40967	0.1
74.50879	0.1
78.91908	0.8
79.95749	0.5
80.96516	0.9
90.70613	0.2
93.25278	0.2
93.88165	0.2
94.98136	0.3
96.96040	0.9
109.06675	0.2
113.91084	0.1
139.32108	0.1
152.98604	0.2
163.52130	0.1
165.03346	0.2
168.92668	0.2
171.10371	0.3
190.99881	0.1
209.11798	0.9
210.12257	0.2
225.11342	0.4
253.09389	0.3
277.19315	0.2
303.07401	0.2
824.58875	0.2
850.40283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
66.91489	0.2
71.01402	0.3
71.40732	0.3
78.91891	0.7
79.95741	0.4
80.91682	0.6
80.96529	0.5
96.96021	1.8
116.92917	0.3
140.02563	0.3
149.87436	0.3
209.11961	0.3
301.00012	0.3
346.06271	0.4
483.24457	0.4
772.91388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98833	100.0
68.52551	0.2
71.01386	2.2
78.91895	0.6
78.95880	0.2
79.95749	0.5
80.96521	0.6
82.95421	0.4
83.05016	0.4
85.02985	0.2
89.02438	0.3
92.92835	0.4
94.92526	0.5
94.98107	0.4
96.96033	1.7
98.21716	0.3
101.02452	0.5
108.15736	0.2
110.31925	0.2
113.02460	0.4
123.66736	0.2
125.02459	0.3
125.09732	0.2
141.58672	0.2
142.95412	0.2
163.39618	0.2
165.12917	0.2
171.10228	1.0
179.05659	0.2
181.12392	0.3
201.11371	0.5
207.10332	0.7
209.11829	3.7
223.09790	0.2
225.00687	0.2
225.11427	0.8
227.12973	0.6
235.08217	0.3
346.90714	0.2
396.63547	0.2
397.13492	1.1
623.26239	0.2
748.15649	0.2
851.38739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98835	100.0
62.98535	0.2
65.91666	0.1
68.29684	0.1
71.01401	0.6
78.91918	0.4
79.40170	0.2
79.95769	0.4
80.96531	0.8
85.02937	0.2
96.96021	1.3
100.44571	0.2
116.92867	0.2
125.02480	0.3
126.23354	0.2
139.89697	0.2
141.57521	0.1
145.45650	0.2
171.10287	0.2
207.10269	0.2
209.11858	0.8
272.86783	0.2
275.01938	0.3
292.53549	0.2
301.00003	0.6
302.00153	0.2
348.40100	0.2
833.84344	0.2
850.38989	0.4
851.39374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98835	100.0
62.98536	0.1
67.23733	0.1
71.01390	0.2
72.61317	0.1
75.42445	0.1
80.96526	0.1
89.02477	0.1
92.62650	0.1
125.02486	0.2
137.93137	0.1
148.84346	0.1
169.01482	0.1
199.79736	0.1
209.11891	0.4
219.00371	0.1
275.01913	0.1
300.99973	0.3
404.95303	0.1
850.39862	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
65.73737	0.5
66.20556	0.6
67.86811	0.5
71.01020	0.9
71.01389	13.1
72.99319	1.1
85.02968	0.6
89.03989	0.6
95.01409	1.1
101.02464	0.8
107.01381	2.1
110.03304	0.5
115.00381	6.2
117.03468	4.2
123.00891	7.5
124.01692	5.3
125.02470	8.0
133.01442	6.4
133.02983	0.7
134.03758	52.6
135.04092	0.9
139.00368	1.4
140.01189	0.9
141.01950	1.1
145.01541	0.9
149.06076	4.7
151.00400	4.4
154.99931	0.6
161.02512	0.7
168.00642	1.0
169.01440	10.2
178.02727	4.9
181.05179	0.6
190.15073	0.6
193.05075	84.6
194.05443	1.1
211.02481	1.0
213.34270	0.7
227.28471	0.7
229.01451	1.0
244.52121	0.6
249.04103	0.7
262.13364	0.6
267.07263	0.8
275.02051	1.1
300.99933	3.9
309.06262	5.1
309.09375	0.9
313.05688	0.7
351.10733	0.8
541.22949	100.0
542.23199	3.1
753.05389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.8
61.98830	1.7
69.03449	1.7
71.01389	62.3
71.05011	1.1
72.99325	1.1
73.02950	6.2
75.00870	1.2
79.95779	0.9
80.02669	1.8
80.50332	0.7
80.96494	1.0
81.03465	2.7
83.01397	1.4
83.05027	8.0
84.02175	1.3
85.02946	5.8
87.00897	4.1
89.02458	14.3
93.03474	1.6
95.01386	1.7
95.05030	3.2
96.96027	2.1
97.02959	4.0
97.06551	0.9
99.00879	2.0
101.02458	12.8
109.06599	5.2
111.04551	0.8
111.08212	1.0
113.02470	8.3
119.03487	4.1
123.00861	1.2
125.02459	6.9
125.09743	2.1
127.11285	2.1
132.92915	0.8
135.08170	2.2
137.02371	0.8
139.07687	1.9
143.03490	2.2
151.11214	0.8
155.10786	1.8
161.04547	2.8
161.09615	0.9
163.11295	10.8
165.12848	2.5
167.03577	0.9
167.10889	1.2
169.01385	0.9
171.10286	32.3
179.05598	5.4
179.10898	0.8
181.12383	3.3
185.11829	2.8
189.09189	1.2
191.03381	0.7
197.11845	2.5
199.13431	1.2
201.11343	24.3
207.10297	15.4
209.11848	100.0
210.12135	2.6
215.12892	3.5
221.06592	1.7
225.11346	34.0
226.11668	1.5
227.12924	12.8
235.08200	5.5
243.12379	2.8
249.04034	0.8
251.12900	1.4
253.09338	1.0
263.12924	0.9
275.02005	1.0
287.07663	1.4
300.99994	1.7
305.08798	1.4
323.09756	0.8
379.12509	3.4
391.02667	0.8
397.13531	31.4
398.13852	1.3
415.14682	7.7
417.22739	1.5
439.14532	2.3
605.24762	2.1
607.25793	1.9
623.25720	4.8
624.26068	1.0
649.27380	1.1
724.03680	0.9
797.36639	2.0
815.36963	4.2
831.21729	0.8
833.37903	3.4
849.08484	0.9
851.39368	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	852.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98546	0.2
63.24949	0.1
63.99261	0.4
65.92389	0.1
69.84157	0.2
69.84478	0.1
71.01391	0.3
75.68014	0.1
78.91901	0.7
79.95770	0.4
80.91697	0.6
80.96516	0.5
82.95417	0.2
94.98112	0.3
96.96024	1.8
97.02979	0.1
109.95753	0.1
116.92867	0.6
122.34300	0.1
163.11314	0.1
171.10248	0.1
209.11897	0.3
210.12195	0.1
263.70874	0.2
403.51901	0.1
682.28900	0.1
832.79688	0.1
843.67969	0.1
852.39984	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	852.424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.22512	1.2
71.01383	0.7
72.04662	0.2
78.91911	0.3
79.95748	0.7
80.91695	0.6
80.96541	0.7
82.95423	1.6
85.00459	0.3
96.96014	0.5
99.40730	0.2
116.92883	0.6
118.43002	0.2
123.00928	0.3
125.02490	0.6
169.01440	0.3
197.19777	0.2
209.11850	0.9
210.12250	0.3
211.13313	0.3
212.13774	0.2
225.00821	0.2
227.12926	0.2
258.91016	0.2
275.01999	0.4
288.70654	0.2
300.99847	0.7
377.24014	0.2
426.87396	0.2
535.98102	0.2
645.73035	0.2
705.60229	0.2
852.40631	0.7
853.39441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64198	0.3
69.12035	1.8
71.01362	0.4
83.05045	0.8
89.02454	0.6
89.82261	0.3
94.02982	2.1
97.52299	0.3
98.02469	0.4
108.04563	2.4
110.06165	0.3
113.02413	0.5
120.04507	0.8
121.05367	0.4
122.06130	8.7
124.04061	1.2
134.06165	2.0
135.06979	0.6
136.04051	3.3
136.07693	10.3
137.04816	0.6
138.05618	2.4
148.04065	0.7
150.05626	9.7
151.03972	0.4
151.06088	0.3
152.07188	1.5
158.02525	0.5
159.11772	0.4
163.08789	0.5
164.07082	0.4
169.01440	0.4
175.05193	0.4
175.07579	0.4
176.03520	0.8
185.09743	0.5
186.04539	0.4
186.09254	2.9
187.11263	0.6
189.06664	0.4
190.05075	2.3
193.41656	0.3
201.06567	2.2
202.07188	1.8
202.08873	1.2
202.12390	1.8
212.10869	1.3
214.07500	1.1
215.08119	2.1
216.08945	0.5
219.10262	0.4
227.08238	0.4
227.11870	0.4
228.10358	2.9
229.09853	13.4
230.12024	8.9
231.11488	1.1
239.08336	0.5
240.09044	0.5
243.11284	0.5
244.08589	0.6
245.09346	5.3
245.11922	0.5
245.12971	0.8
255.11450	3.9
257.09335	6.1
258.10046	1.2
259.10941	0.6
273.12469	23.4
274.10803	0.5
275.02054	0.4
275.10370	2.1
299.10410	0.8
300.99994	0.9
317.11444	15.7
318.11954	0.5
334.11691	0.7
335.12506	100.0
336.12851	3.7
337.11816	0.9
351.10693	2.2
492.68942	0.3
503.59808	0.4
517.18347	9.4
518.18823	0.7
717.28375	0.4
749.30969	1.1
761.27484	0.5
793.29761	0.9
821.28925	0.7
853.31415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.5
69.03440	0.7
71.01385	9.3
72.99309	0.6
73.02955	1.6
80.02682	1.2
81.03474	2.0
83.01379	1.1
83.05038	5.5
84.02172	0.7
84.71021	0.4
85.02961	2.1
87.00889	2.4
89.02457	8.1
95.01321	0.5
95.05035	0.8
96.96044	0.8
97.02959	1.9
99.00873	0.8
101.02461	7.1
109.02927	0.5
113.02466	4.4
117.21840	0.4
119.03534	1.7
125.02458	3.4
125.09694	1.2
127.11301	2.6
128.23907	0.5
131.03539	0.7
135.08186	0.8
141.01923	0.5
143.03517	1.6
148.34880	0.5
150.03197	0.5
155.10837	0.6
161.04611	2.0
163.03940	0.6
163.11317	4.6
165.09267	0.7
165.12820	3.1
169.01433	0.9
171.10243	1.2
179.05652	2.4
191.10896	0.8
199.09801	1.1
201.11349	37.2
209.11853	100.0
210.12218	2.4
221.06731	1.0
227.12915	14.2
235.08252	2.1
253.09244	0.7
275.01907	0.8
287.07727	1.3
300.99911	1.1
305.08813	1.1
314.77570	0.5
323.09857	1.0
379.12405	3.0
388.90121	0.5
388.96494	0.5
393.22940	0.6
397.13538	25.1
398.14359	0.6
404.19763	0.5
405.17099	0.5
415.14618	6.4
540.48694	0.6
581.24707	0.7
589.25195	1.3
599.25775	1.3
607.25836	2.8
791.37927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	12.9
69.03433	2.9
71.01392	15.9
71.43695	3.5
73.02956	4.6
77.21627	2.7
78.19790	2.7
80.91675	3.0
81.03445	4.4
83.01402	6.1
83.05035	4.0
84.02184	7.3
85.00450	2.4
85.02982	3.5
87.00921	2.5
89.02467	9.0
95.01394	2.8
96.95983	13.2
97.02967	4.6
97.06597	8.1
101.02444	17.3
103.01508	6.2
109.06613	3.1
111.08173	14.6
113.02460	6.9
114.93410	4.4
116.92882	11.3
123.08119	3.8
125.09725	15.2
161.04556	7.5
163.11276	7.3
169.12393	7.8
171.10269	28.5
177.12875	2.9
181.12419	4.4
185.11845	9.3
188.21109	2.5
191.14430	9.0
193.12370	6.4
195.13942	7.5
197.11836	83.5
199.13428	3.7
207.10378	2.9
209.11757	18.3
211.11656	2.4
211.13316	14.7
223.13490	7.0
225.11404	6.0
225.15012	10.2
227.12827	6.7
235.08263	4.9
237.11327	4.2
243.16113	3.4
245.19150	14.6
253.09300	52.8
253.11774	5.3
263.20200	10.7
274.16510	3.0
275.20233	3.3
289.18100	54.5
291.19717	32.6
292.19879	6.2
293.21259	100.0
307.19104	36.4
309.20731	58.2
341.23343	83.7
342.23694	5.5
516.74713	2.6
529.30652	3.8
644.20044	3.1
799.45972	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	853.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95728	1.0
61.98828	8.8
69.03484	1.1
71.01385	5.3
76.97910	0.9
80.91681	1.0
81.15610	0.9
82.83082	0.9
84.02155	1.8
85.02964	2.0
88.01087	1.0
89.02447	4.1
95.05015	1.5
96.96026	4.2
97.02920	1.0
97.06609	7.8
99.60152	1.0
101.02463	3.9
103.00409	0.9
103.01494	11.3
105.37278	0.9
111.08144	2.2
113.02460	3.8
116.92858	5.3
119.03538	1.4
125.09739	1.8
141.24586	1.2
142.07819	1.1
153.09274	1.0
153.71205	1.0
161.04552	3.3
171.10278	14.6
175.11241	1.1
177.12907	1.0
185.11876	1.7
193.12338	11.2
195.13907	6.4
196.14716	1.1
197.11769	5.5
201.11383	1.2
205.12270	1.1
209.11873	2.4
211.13493	5.4
221.11803	1.3
223.13383	5.4
225.14952	14.2
235.08279	2.2
243.15947	6.3
252.31296	1.2
253.09294	29.4
253.14661	1.3
275.20068	6.3
289.18054	4.0
291.19769	8.9
293.21240	80.1
294.21494	3.0
300.99695	1.5
303.11987	1.1
307.19131	3.7
309.20773	6.1
325.20135	1.3
341.23322	100.0
342.23679	3.6
468.68210	1.2
529.28748	1.2
577.32397	5.3
608.31012	1.0
617.44128	7.7
682.91675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	31.3
69.81552	6.9
69.81919	6.2
71.01383	18.9
77.08534	2.9
82.95422	100.0
83.05053	3.3
84.95126	14.2
85.00448	69.3
87.00866	4.1
89.02480	4.7
89.73367	3.5
96.96026	34.5
98.22619	4.6
99.92587	8.1
101.02482	4.4
103.00388	4.7
103.01498	12.5
109.06565	5.3
114.93374	4.0
116.92877	60.6
127.23820	3.1
169.01419	5.1
171.10291	11.8
177.71033	3.7
185.11993	3.6
197.11804	5.9
199.09749	7.1
201.11302	3.4
207.10231	12.8
209.11845	68.7
210.12115	4.0
225.11267	8.7
227.12912	17.5
235.08128	6.0
253.09302	13.0
279.15863	3.8
291.19565	3.6
293.21268	5.7
295.70761	3.2
301.00012	4.2
304.52524	3.5
307.19000	4.3
309.20874	7.6
325.20154	5.8
327.21561	7.1
328.22202	5.1
338.06641	3.3
365.01852	3.3
436.33243	3.2
459.38580	3.2
506.23590	3.8
533.72113	3.6
627.30688	5.4
645.31787	3.9
671.33057	4.4
855.42059	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	855.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
71.01389	7.4
78.95932	1.9
79.95745	2.3
80.96537	2.3
82.95419	16.9
84.95119	7.9
85.00440	20.9
85.02898	1.7
96.96021	21.7
97.02963	2.2
97.06697	1.7
98.95619	4.4
101.02449	2.4
103.01497	2.7
109.06594	3.7
116.92917	2.7
125.02424	1.8
163.11258	2.6
169.01442	3.3
171.10246	6.6
183.94423	1.7
184.43459	1.7
191.10913	1.7
199.09740	4.0
201.11308	1.6
207.10271	8.5
209.11810	15.4
223.09659	1.8
223.13440	2.8
225.11316	8.0
227.12885	3.4
234.44292	2.1
241.14534	5.3
253.09349	3.8
300.99869	2.1
309.20581	2.3
326.80515	2.0
327.21762	2.2
341.23306	6.2
645.31305	4.0
653.32062	2.6
671.32788	3.4
783.89227	1.8
833.47589	2.0
855.41010	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	855.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23226	0.7
61.98835	100.0
63.99267	1.9
66.95955	0.7
69.03486	1.5
71.01391	6.2
73.02957	1.2
78.95926	0.8
80.91707	2.1
81.03485	0.9
82.95423	30.0
83.05047	0.9
84.95139	1.1
85.00447	4.0
85.02957	3.3
87.00890	0.8
88.98866	0.9
89.02483	1.5
95.05060	0.8
96.96020	16.0
97.02982	1.8
97.06607	1.7
98.22704	1.1
98.95588	0.9
99.00868	1.0
101.02479	3.0
103.01517	2.2
111.08180	2.8
113.02456	2.3
116.92874	1.2
119.03522	1.0
125.09743	0.8
161.04570	1.2
163.11307	1.3
169.12395	2.0
171.10298	13.1
181.12314	0.9
183.13966	2.1
183.68773	0.9
190.09334	0.7
197.11858	19.5
199.09830	1.0
201.11383	0.8
207.10258	1.2
209.11853	8.1
211.13435	7.3
221.11916	1.2
223.13512	2.4
225.11418	3.0
227.12978	2.6
229.14476	3.6
235.08255	3.9
239.12926	0.9
253.09325	17.3
263.19980	1.1
291.19708	8.2
293.21396	0.8
309.20749	37.1
310.21143	1.3
327.21796	37.7
328.22040	1.6
424.96182	0.8
445.20389	0.7
487.34604	1.4
488.34848	0.8
545.30060	3.4
557.68134	0.7
563.31024	2.2
619.42383	1.9
855.40167	1.4
879.56665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	2.8
66.04200	1.2
71.01386	5.3
75.00870	2.0
75.98809	1.2
80.81458	1.4
82.95423	3.5
84.95112	2.9
85.00442	10.6
87.06339	1.1
88.98806	1.6
96.95972	1.9
97.02975	1.2
103.00465	14.2
103.01504	100.0
103.94047	1.2
116.92870	5.2
156.17923	1.3
158.85095	1.1
163.11311	1.3
171.10185	2.9
171.48871	1.1
201.11382	1.2
207.10368	2.3
209.11838	4.3
225.11296	2.0
253.09509	3.1
291.19775	1.8
301.00116	1.6
309.20615	2.1
310.21140	1.8
338.80435	1.2
354.53668	1.2
385.21085	1.3
787.56110	1.4
863.65460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	15.1
71.01390	54.2
73.02956	16.2
76.26395	1.7
81.53730	1.7
82.93137	2.2
83.01392	7.9
85.02960	30.0
87.00880	2.9
89.02454	23.0
95.01409	7.2
96.96021	5.6
99.00880	3.1
101.02461	36.3
113.02457	26.0
119.03488	7.3
125.02415	3.8
143.03506	2.3
143.10773	1.9
158.11899	1.8
161.04578	6.5
169.01401	2.5
171.76411	1.7
179.05550	2.8
181.96819	1.9
195.06541	2.2
275.02304	1.9
327.85754	2.2
351.51944	2.1
512.45190	1.9
737.42029	3.3
755.42310	100.0
756.42670	6.0
773.43378	75.3
774.43750	5.4
815.44434	48.7
816.44263	2.8
824.46783	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	859.444
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01719	1.1
61.98830	3.3
71.01395	3.4
71.43673	1.6
75.00892	1.8
76.06672	1.0
81.52870	1.1
85.00435	3.8
88.98823	2.6
101.02472	1.1
102.95699	1.6
103.00466	15.4
103.01503	100.0
107.07957	1.0
114.99815	1.3
116.92881	1.5
125.09702	1.3
135.62259	1.0
171.10315	3.5
209.11809	2.7
225.11287	1.9
307.19162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01721	1.1
61.98818	1.7
69.14607	1.0
69.15009	2.6
71.01397	1.0
75.00877	2.0
85.00452	3.1
87.00874	0.7
88.98802	2.9
96.96033	0.7
103.00460	17.5
103.01500	100.0
103.68266	0.5
104.01878	1.1
105.01952	1.0
116.92876	1.7
140.32355	0.6
163.11331	0.6
207.10284	1.0
209.11830	1.9
225.07571	0.8
253.09106	0.6
270.37253	0.7
275.86151	0.6
287.55698	0.6
291.19812	0.9
293.21234	1.3
307.40387	0.6
421.01785	0.6
536.98407	0.6
658.46112	0.6
879.30457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	1.7
61.98832	3.7
69.31804	8.7
71.01378	9.1
73.02950	2.7
80.48277	2.0
85.02970	3.9
87.00858	2.3
88.98833	4.5
89.02444	6.1
93.03468	5.1
96.96036	2.6
98.30930	1.6
101.02480	4.6
106.75281	1.8
109.02956	4.8
113.02501	2.4
119.03557	2.2
121.02965	7.3
122.03757	18.3
123.00890	3.3
124.01688	1.8
125.02438	5.9
135.04553	2.7
137.02461	10.0
147.04568	2.4
149.02451	27.4
150.03235	100.0
151.00380	8.3
151.03896	4.9
152.04790	5.0
162.03119	2.1
164.04791	6.6
165.01840	2.2
165.05586	90.6
166.02727	23.4
167.03505	3.5
169.01389	3.4
175.03972	4.1
177.05595	1.6
179.05617	2.7
180.04288	8.1
181.05095	31.6
181.06546	1.3
185.10861	1.6
187.03978	2.8
191.03589	2.2
193.04938	1.8
195.06645	57.9
203.03528	2.0
205.05063	5.4
220.07346	5.7
300.99875	5.5
329.10260	2.2
351.10968	3.2
372.11884	1.8
387.10352	3.0
387.14487	5.6
402.13214	3.7
403.09955	9.1
416.14523	3.6
417.15613	49.9
418.15875	2.3
517.14880	1.9
519.20453	1.9
535.15741	2.8
550.19104	2.0
565.20837	66.0
566.21240	4.7
583.21893	2.1
595.22235	2.3
613.23022	44.2
614.23004	4.1
801.46515	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35737	1.8
63.31949	1.8
69.03467	2.2
71.01386	22.9
71.20705	3.2
73.02937	2.9
75.00888	2.2
81.03451	4.0
83.01376	3.0
83.04985	2.2
85.02959	6.5
87.00885	5.7
89.02454	20.6
97.02958	10.2
99.00864	4.2
101.02440	17.9
109.06606	26.5
110.03761	3.2
113.02468	12.6
119.03539	2.7
125.02435	9.0
135.08150	3.6
140.80824	1.7
143.03516	4.0
161.04565	3.4
163.11327	18.9
179.05635	4.1
181.12343	1.9
207.10275	100.0
208.10422	2.4
209.11876	2.4
221.06656	2.7
224.16852	2.3
225.11333	27.8
235.08223	8.2
255.23297	85.5
287.07834	3.0
343.85110	2.2
379.12439	7.5
397.13538	71.9
415.14291	12.3
443.24139	2.2
605.24304	4.7
623.25629	2.8
653.36993	4.5
861.48608	63.8
862.49072	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	861.488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.1
69.08786	2.5
69.09184	6.9
70.50166	0.9
71.01385	17.6
71.59583	1.2
73.02942	3.7
75.00885	1.6
81.03463	2.2
83.01405	1.2
83.05029	2.0
85.00439	1.2
85.02962	4.1
86.77974	1.0
87.00887	4.9
88.98795	2.9
89.02450	15.2
95.01385	1.8
96.96032	1.4
97.02961	4.0
101.02452	13.5
103.00374	2.6
103.01508	13.0
109.06586	1.5
113.02461	8.0
116.92873	4.6
117.92876	2.3
119.03498	5.3
125.02448	4.0
125.14580	1.1
143.03519	2.6
153.21452	1.2
161.04524	3.3
163.11295	3.9
165.12827	2.3
179.05605	3.6
191.10799	1.4
194.06941	1.1
207.10236	4.5
209.11841	100.0
210.12154	3.4
221.06740	1.3
225.11359	4.1
227.12907	12.4
235.08287	4.7
246.56111	1.1
253.21748	52.9
254.22104	1.7
255.23221	5.3
305.08826	1.8
306.96924	1.4
379.12616	7.6
397.13513	48.9
398.13721	1.6
415.14597	10.2
651.36877	1.5
861.47882	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	863.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.0
63.14965	0.5
66.35738	0.5
69.03466	0.8
69.91369	0.6
71.01021	1.1
71.01392	13.5
73.02946	1.7
81.03466	1.6
83.01409	1.6
83.05035	4.5
84.02164	0.6
85.02949	3.0
87.00883	3.1
89.02457	11.9
90.22462	0.6
95.01400	0.9
95.05045	1.1
97.02956	2.0
98.21826	1.4
99.00894	0.7
101.02460	9.7
113.02472	6.6
119.03523	3.4
125.02460	5.2
125.06103	0.7
135.08203	0.8
143.03525	2.0
149.04500	0.6
161.04573	3.2
163.11354	4.6
165.12868	2.6
179.05623	3.6
191.10814	1.4
209.11856	100.0
210.12262	3.7
217.07230	1.1
221.06718	1.5
227.12938	12.9
235.08243	3.7
251.12971	1.1
253.09261	1.1
255.23322	42.7
256.23608	1.3
287.07770	1.8
294.21603	0.6
305.08749	1.6
323.09995	0.9
379.12457	6.4
397.13550	29.6
398.13885	2.2
415.14615	8.8
544.36041	0.6
589.25067	0.8
607.26141	1.9
653.37579	1.1
663.47418	0.6
860.16406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25571	0.3
64.64962	0.3
68.99819	0.3
69.03449	1.3
69.25607	0.3
71.01387	16.5
72.99329	0.6
73.02962	3.0
78.21032	0.3
80.02689	1.0
80.33096	0.3
81.03465	2.2
83.01393	2.1
83.05034	5.0
84.02187	0.9
85.02959	4.3
87.00883	3.8
89.02454	15.9
91.03996	0.4
92.70034	0.3
95.01386	1.4
95.05054	0.7
97.02960	2.6
99.00887	0.9
101.02452	12.7
111.04539	0.4
113.02457	6.8
119.03514	3.9
125.02453	5.8
125.06069	0.8
127.04058	0.3
131.03477	0.6
133.05045	0.6
135.08182	0.6
137.02455	0.4
139.04060	0.5
139.58569	0.3
141.01903	0.4
143.03490	2.5
146.77721	0.4
146.98079	0.3
149.04614	0.4
161.04572	3.5
163.11320	4.5
165.12860	2.6
167.03513	0.6
173.86250	0.4
179.05630	2.5
179.25288	0.3
181.12383	0.6
191.10800	1.2
193.04123	0.4
199.06314	0.3
209.11845	100.0
210.12144	2.9
216.82460	0.3
217.07114	0.6
221.06693	1.4
227.12901	10.1
235.08258	5.1
245.06544	0.4
253.09280	1.0
255.23312	56.3
256.23703	2.5
263.07669	0.5
269.24811	0.6
287.07727	1.3
305.08850	2.1
323.09787	1.0
361.11621	0.3
379.12415	6.5
397.13519	32.3
398.13724	1.0
415.14554	6.2
589.25061	0.5
599.59839	0.3
607.25812	0.7
652.86682	0.4
653.37646	1.1
760.76807	0.3
817.06451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.68253	0.5
69.68658	0.9
74.11697	0.3
88.98833	0.6
90.74174	0.3
94.79040	0.3
117.95123	0.4
123.00912	0.3
138.64235	0.3
169.01488	0.5
178.11433	0.3
209.11879	0.7
225.53725	0.3
275.02097	0.4
299.08182	0.3
300.99991	0.9
309.10236	0.3
436.32272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69360	0.8
73.02954	0.3
75.98694	0.2
81.36591	0.3
87.00878	4.9
88.75533	0.2
91.05543	33.0
92.05900	0.5
95.70720	0.2
96.96020	0.4
96.97811	0.2
98.55457	0.3
101.02436	0.4
117.07117	6.7
120.84085	0.2
125.02455	0.3
133.06613	12.2
134.91235	0.2
135.04584	1.3
159.61865	0.3
161.06099	17.5
163.04025	27.0
164.04369	0.6
177.05534	0.5
179.07143	2.0
205.05139	0.6
223.06131	100.0
224.06424	2.4
240.50760	0.2
300.99875	0.7
311.11496	0.3
415.16156	0.3
467.53439	0.3
527.40051	0.3
786.91711	0.3
886.76678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.12202	1.6
71.01403	0.6
75.71603	0.2
78.91924	0.3
92.92815	0.4
96.96028	0.6
108.90231	0.3
112.98626	0.2
126.90511	0.8
128.90189	0.4
189.58417	0.2
209.11867	0.6
229.82419	0.3
598.05219	0.3
762.64600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.23335	0.2
62.35269	0.2
63.69904	0.2
71.41362	0.2
78.91882	0.5
79.95763	0.6
80.91680	0.2
80.96504	0.3
89.02463	0.3
96.96017	3.9
137.11636	0.3
169.01462	0.3
209.11874	0.6
220.59431	0.3
301.00076	0.4
871.97516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.01377	0.4
78.74041	0.2
79.95739	0.7
80.96507	0.6
94.98073	0.4
96.96017	3.4
149.89386	0.2
174.37451	0.3
198.14345	0.3
202.94841	0.2
209.11830	0.7
300.99997	0.5
523.84637	0.3
542.23370	0.3
820.32581	0.3
867.40741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.26519	0.1
71.01391	0.3
71.43337	0.2
71.43742	0.1
72.99327	0.2
75.00890	0.4
75.83515	0.2
78.91902	0.5
79.95787	0.3
80.96539	0.2
87.61594	0.1
89.02463	0.2
94.98092	0.4
96.96030	0.5
159.31563	0.2
209.11896	0.2
271.26190	0.2
520.88293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	1.3
71.01390	7.9
73.02943	1.3
80.02689	0.9
81.03458	2.0
83.05039	5.6
84.02180	1.1
85.02979	2.0
87.00881	2.6
89.02453	7.8
92.10892	0.8
95.01390	1.1
95.05011	1.0
97.02966	1.4
98.21880	1.6
98.83475	0.8
101.02459	6.9
113.02489	4.6
119.03519	2.3
125.02444	3.8
135.08246	0.9
143.03545	1.6
161.04570	1.6
163.11272	4.2
165.12878	3.3
169.01492	1.1
178.63202	0.9
179.05608	2.3
191.10777	1.4
209.11845	100.0
210.12202	2.2
227.12901	16.6
235.08177	1.7
259.15494	2.2
265.14365	0.9
275.01898	1.2
300.99857	1.6
305.08984	1.3
316.47678	0.9
346.75504	1.0
370.95660	0.8
379.12347	2.8
397.13528	20.3
398.13544	1.1
415.14505	6.6
533.34210	0.9
589.25031	1.7
607.25928	2.3
694.23651	1.0
715.86682	1.0
799.37317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.99595	0.3
69.83853	0.7
78.91886	0.5
80.91685	0.5
80.96538	0.5
82.95406	0.5
90.03291	0.2
94.92532	0.3
96.96020	3.2
98.72937	0.2
99.59700	0.2
112.98592	0.3
114.93417	1.2
116.92945	0.3
171.10280	0.3
209.11864	0.6
211.13547	0.3
289.18384	0.3
300.99979	0.3
601.05847	0.3
724.19580	0.3
781.40277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57251	0.2
61.98834	100.0
69.18248	1.4
71.01377	0.2
73.83764	0.2
83.85814	0.2
130.73529	0.2
169.70767	0.2
204.10468	0.2
396.57642	0.2
650.97290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93509	0.9
69.03464	1.9
69.42363	4.5
71.01389	54.9
72.99316	1.4
73.02955	100.0
74.49025	1.2
81.03495	1.3
83.01400	22.2
85.02969	9.9
87.00919	1.4
89.02455	40.9
95.01415	3.5
96.48096	0.8
97.02956	1.5
101.02457	76.5
102.02775	1.7
113.02457	32.1
119.03524	18.4
125.02464	4.0
131.03520	8.8
133.18352	0.9
143.03513	8.4
149.03493	1.8
149.04582	19.9
155.03505	3.0
161.04581	30.7
179.05678	8.2
203.05621	3.7
221.06706	9.7
221.82811	1.0
255.10541	1.5
261.13437	2.1
270.52112	1.0
283.09796	2.9
303.14526	3.3
311.09271	5.2
326.11639	3.5
341.13974	7.0
419.86417	1.0
622.21490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52900	1.2
71.01389	15.7
73.02976	1.2
79.77171	1.5
83.01405	1.6
85.02955	4.4
89.02446	11.6
92.20644	1.4
94.02993	8.7
95.01405	2.0
99.00821	1.2
101.02445	6.0
104.04990	1.3
106.06652	2.5
108.04585	2.4
110.06061	1.5
113.02477	4.2
119.03516	3.6
122.06145	5.8
123.00866	1.2
124.04070	2.1
125.02429	1.6
134.06142	23.6
136.04034	2.3
138.05695	2.1
150.05591	3.1
150.36374	1.3
152.07190	5.3
168.06674	1.7
169.01390	3.1
174.05574	1.8
201.10327	3.2
213.10284	1.5
215.12015	1.9
227.11873	1.7
228.71756	1.9
229.09792	4.7
235.08850	1.8
237.10370	2.5
239.11942	3.1
249.10382	2.4
250.07622	1.5
251.11903	2.1
252.09029	1.4
253.09883	3.4
255.11421	3.0
263.08182	1.7
265.09793	4.5
266.10333	1.4
267.11261	2.3
277.09811	4.9
278.06949	2.9
278.10574	6.4
279.07831	3.5
279.11304	6.1
291.11411	2.6
292.08652	1.5
293.09360	8.8
294.10031	1.7
295.10931	5.8
300.99954	2.2
301.11984	3.3
305.09338	2.5
307.10974	1.9
309.12662	2.8
314.12527	2.1
319.13031	10.0
321.08783	2.4
337.08368	1.5
339.09860	2.1
351.10278	3.9
374.15115	2.7
398.14874	1.8
405.17783	2.2
410.15024	2.0
416.16190	1.9
434.17236	1.9
446.17245	1.8
486.16550	1.9
620.22754	2.6
621.23090	1.6
638.23389	5.5
648.21606	3.7
666.23120	17.3
680.24646	3.8
712.27441	10.0
745.28162	2.5
761.29852	3.7
777.29968	4.2
787.27649	1.5
805.29529	64.5
805.44507	3.2
806.29919	4.6
819.30981	3.2
837.32025	100.0
838.32446	9.8
869.34552	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	871.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	33.4
64.00491	11.0
69.06395	11.9
71.01392	17.5
89.02448	20.0
96.96029	18.5
116.92867	52.3
151.11292	15.3
169.12320	50.7
189.01431	12.2
197.11864	15.4
235.08412	13.0
277.21707	16.9
289.18021	19.7
291.19577	19.6
293.20926	17.9
301.00064	15.1
307.19168	20.7
309.20743	29.6
871.46967	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	871.471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	0.4
62.36585	0.3
67.08062	0.3
69.24513	2.2
71.01369	1.9
73.02946	1.0
83.01390	0.5
85.02958	1.5
87.00882	1.0
89.02456	0.7
95.01434	0.6
95.70664	0.3
96.96019	0.8
98.21900	0.8
101.02474	1.7
107.08299	0.4
113.02453	1.4
114.89163	0.5
116.00183	0.4
116.92841	0.5
123.00854	0.4
125.02424	1.0
136.01573	0.3
137.02419	0.7
151.04024	0.4
161.04587	0.6
165.01945	4.1
166.02710	0.4
169.01422	1.7
179.03477	0.7
180.04341	2.3
181.05003	1.2
195.06638	2.5
209.11873	1.1
210.12149	0.5
225.07721	1.9
275.01859	0.9
300.99863	1.4
348.75354	0.4
350.49557	0.4
351.10834	1.0
366.11993	0.4
389.16043	0.5
487.34390	1.2
506.50812	0.4
649.39618	100.0
650.40015	6.0
691.40637	1.6
811.44897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.22813	0.1
70.05875	0.2
70.06174	0.1
78.03861	0.1
118.25605	0.1
150.03273	0.2
195.06639	0.2
244.30896	0.1
274.12762	0.1
581.80103	0.1
629.62836	0.1
751.44031	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	872.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98548	0.2
69.00122	0.1
69.45461	0.2
69.45853	0.3
88.68013	0.1
89.56146	0.1
93.61420	0.1
105.10557	0.1
126.57574	0.1
135.68970	0.1
143.95168	0.1
150.03209	0.2
170.58177	0.1
195.06633	0.3
420.91641	0.1
432.90433	0.1
440.89682	0.1
522.80524	0.1
570.97992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54617	1.3
92.15842	1.1
104.20532	1.2
123.00890	3.2
125.02477	2.4
147.04549	1.5
157.02934	1.9
169.01405	3.9
169.96404	1.4
173.02507	1.8
175.04030	1.7
185.02458	3.5
191.03474	1.5
201.01945	4.0
203.03535	3.6
211.02496	2.0
213.01866	2.1
217.12300	1.3
219.03062	1.7
229.01416	11.0
231.02937	3.6
245.00798	1.4
249.04132	2.9
255.15063	1.2
257.00894	9.6
258.01529	2.9
275.01999	42.8
283.99820	1.9
299.99072	1.7
300.99927	64.0
407.28040	1.2
627.65350	1.4
633.07410	100.0
634.07422	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	873.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94421	7.3
70.08449	8.9
70.08772	13.9
88.98820	17.8
94.95415	9.4
98.22509	10.2
99.92598	10.0
116.92882	89.0
135.42015	8.4
170.33873	9.6
197.11888	17.1
199.13474	9.9
211.13269	11.6
253.09233	24.3
291.19708	16.4
309.20834	100.0
325.68948	8.6
326.65387	8.4
372.96954	9.9
448.32767	8.9
873.47375	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	873.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	41.3
69.14228	100.0
70.48087	12.7
85.00404	15.3
87.48071	13.7
88.98856	31.2
91.25409	12.4
96.96001	21.0
116.92864	86.0
134.88689	14.7
152.19139	14.3
180.12433	13.5
197.11807	28.9
253.09291	38.1
254.50266	15.9
267.65936	17.7
291.19644	29.9
309.20731	90.3
357.44925	16.3
408.29578	13.8
471.34814	46.3
539.58490	18.9
738.64063	17.2
873.47314	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.7
66.60085	1.0
71.01386	1.4
75.00879	1.6
85.00436	4.9
85.49195	1.2
88.63586	0.9
88.98815	4.5
96.95981	3.9
99.92583	1.4
103.00449	21.5
103.01507	100.0
103.99484	1.2
116.92872	22.3
117.01926	1.1
117.92880	4.0
118.92693	3.2
171.10269	1.4
201.11264	1.3
207.10359	1.5
209.11789	2.5
257.01447	1.3
303.35883	1.2
777.50317	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	9.0
61.98820	11.7
63.42051	6.7
76.86367	5.9
80.23689	5.9
82.95408	6.7
85.00455	24.6
87.00847	9.1
88.98808	57.2
94.09846	7.6
96.96037	11.7
101.03700	5.9
103.00391	12.2
103.01501	41.4
105.01950	13.8
116.92884	41.6
207.10158	8.2
209.11864	8.5
211.13441	7.1
235.08284	11.2
253.09328	35.8
293.21219	100.0
309.20810	12.5
327.21771	69.5
493.10706	6.3
529.30200	15.1
545.29657	14.2
563.30994	13.4
642.22607	7.1
653.05054	6.8
698.85596	6.9
839.51392	12.5
875.49847	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	877.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72863	1.1
69.03459	4.7
69.43981	3.3
71.01392	17.6
71.05038	2.3
73.02937	1.8
81.35519	0.9
83.01389	1.8
85.02945	2.7
87.00877	3.1
89.02466	11.7
97.02930	2.9
99.00912	2.0
101.02466	9.1
113.02448	4.4
116.92854	1.4
119.03516	3.6
125.02435	2.1
125.09723	2.0
126.57616	0.9
151.11299	2.0
161.04596	1.4
161.09749	4.4
179.05556	1.1
179.10776	6.5
197.11852	40.3
198.12122	0.9
220.86084	0.9
221.06670	2.0
223.09846	1.4
241.10808	3.0
255.23335	57.0
256.23694	1.7
379.25385	1.0
397.13519	3.3
877.48108	100.0
878.48779	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	879.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	9.3
68.67761	1.8
71.01388	100.0
73.02903	1.9
83.01407	2.6
85.02953	2.5
87.00883	4.0
89.02436	11.1
97.02980	2.4
101.02447	8.6
109.06605	2.2
109.70898	1.7
113.02479	7.1
119.03556	3.9
125.02513	3.8
138.77950	1.8
161.04584	2.0
163.11325	2.8
171.10275	16.8
185.11717	1.9
201.11380	12.0
207.10262	11.8
225.11327	15.0
243.12474	2.7
255.23306	35.9
379.12482	4.2
397.13489	20.7
415.14536	6.4
439.14597	3.1
605.24762	2.4
861.48450	6.9
879.48706	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	881.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95733	3.5
96.96019	100.0
112.28779	0.7
150.08685	0.8
185.02467	1.0
201.01974	0.9
203.03502	0.9
229.01334	1.7
231.02962	1.3
257.00806	1.8
275.01981	8.1
300.99902	22.8
326.56424	0.8
395.52341	0.9
589.08484	0.8
614.97607	1.5
640.95325	4.7
783.06964	11.2
896.46088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29025	1.6
67.70089	1.5
68.40614	1.6
71.42630	1.9
71.43056	2.1
79.95722	4.3
96.96017	100.0
97.43793	1.5
104.97255	1.6
125.02410	2.7
137.17393	1.7
149.67317	1.6
195.31833	1.7
275.02036	10.2
300.99911	19.2
497.52472	1.8
595.96906	1.9
626.75616	1.7
660.67426	2.0
783.07233	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	881.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31711	1.6
69.32111	0.6
71.39056	0.5
105.32368	0.4
160.01743	0.5
167.58694	0.5
172.01665	0.6
185.02422	0.8
188.01270	0.5
197.81396	0.5
200.01169	1.3
207.79153	0.5
216.00694	1.7
228.00673	1.3
229.01456	1.1
242.99222	0.8
244.00153	1.6
271.99631	0.8
282.98843	1.1
283.99939	0.6
299.99136	100.0
300.99902	64.6
302.00345	2.1
433.04150	85.1
434.04456	4.3
447.05722	45.8
448.06100	1.9
490.41901	0.5
597.26440	0.5
879.95532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39239	0.4
69.03460	1.0
69.39053	0.5
70.36041	0.5
71.01392	14.7
71.21126	0.5
71.85172	0.4
72.99316	0.6
73.02950	2.5
80.02667	1.1
81.03467	2.0
83.01402	4.2
83.05035	5.3
84.02177	1.7
85.02956	3.8
87.00874	3.2
88.98814	1.5
89.01938	0.9
89.02456	11.8
94.47548	0.4
95.01393	1.0
95.05029	0.7
96.96044	0.7
97.02963	2.5
97.06606	0.7
99.00907	0.7
101.02459	12.2
107.01463	0.5
109.02943	0.5
111.04491	0.5
113.02472	5.6
119.03535	3.7
123.00919	0.5
125.02457	6.4
125.06133	0.5
125.09737	2.9
127.11385	0.6
133.05061	0.5
135.08183	1.2
139.04034	0.7
143.03516	2.4
149.04568	0.6
161.04607	2.4
163.11311	4.5
165.12804	2.7
169.01476	1.3
171.10355	2.5
179.05583	3.6
181.12383	1.3
191.10785	3.0
197.11899	0.7
209.11850	100.0
210.12227	4.2
211.13515	0.6
216.36974	0.5
217.07356	0.7
221.06702	1.4
223.13487	1.1
227.12900	11.9
228.13072	0.6
235.08180	4.2
241.14494	1.3
253.09241	1.0
273.17102	99.6
274.17422	4.1
275.02158	0.7
287.07877	1.5
297.16965	0.8
300.99973	1.0
305.08875	1.8
308.77811	0.5
323.09567	0.9
323.65591	0.5
379.12567	4.1
397.13522	36.3
398.13907	1.9
415.14633	11.3
465.28766	1.1
500.54645	0.7
589.24512	0.8
607.26190	1.5
653.30573	0.7
671.31964	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	883.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	92.7
62.14635	2.0
67.27172	1.8
71.01385	27.1
73.02950	5.2
79.99907	2.0
81.03471	4.6
82.92319	1.8
83.01423	2.6
83.05042	3.7
85.02966	10.2
87.00890	6.6
89.02447	21.8
89.80727	1.6
94.50453	1.8
95.01402	2.1
97.02966	13.1
98.21795	3.3
99.00897	3.2
101.02447	20.0
107.05103	1.8
109.06600	32.0
110.03746	1.9
113.02446	13.3
119.03492	5.7
125.02458	7.5
129.59071	1.8
135.08170	3.7
136.05374	2.4
141.01883	2.8
143.03532	2.9
161.04556	5.0
161.09731	3.0
163.11288	20.8
179.05621	7.1
181.12334	3.1
190.45961	1.7
207.10275	100.0
208.10594	2.9
209.11815	4.3
225.11331	47.5
235.08237	7.7
243.12508	2.1
247.25362	2.1
263.07761	2.2
277.21756	69.9
278.22162	2.2
287.07755	2.5
299.14642	1.8
300.99759	2.3
323.09802	2.3
323.22089	2.4
379.12506	6.3
386.31573	1.9
397.13507	54.1
415.14612	15.7
441.33890	2.1
451.03012	1.9
605.24603	7.3
623.25287	5.1
853.23877	2.1
883.47058	60.7
884.47833	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	883.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	92.7
62.14635	2.0
67.27172	1.8
71.01385	27.1
73.02950	5.2
79.99907	2.0
81.03471	4.6
82.92319	1.8
83.01423	2.6
83.05042	3.7
85.02966	10.2
87.00890	6.6
89.02447	21.8
89.80727	1.6
94.50453	1.8
95.01402	2.1
97.02966	13.1
98.21795	3.3
99.00897	3.2
101.02447	20.0
107.05103	1.8
109.06600	32.0
110.03746	1.9
113.02446	13.3
119.03492	5.7
125.02458	7.5
129.59071	1.8
135.08170	3.7
136.05374	2.4
141.01883	2.8
143.03532	2.9
161.04556	5.0
161.09731	3.0
163.11288	20.8
179.05621	7.1
181.12334	3.1
190.45961	1.7
207.10275	100.0
208.10594	2.9
209.11815	4.3
225.11331	47.5
235.08237	7.7
243.12508	2.1
247.25362	2.1
263.07761	2.2
277.21756	69.9
278.22162	2.2
287.07755	2.5
299.14642	1.8
300.99759	2.3
323.09802	2.3
323.22089	2.4
379.12506	6.3
386.31573	1.9
397.13507	54.1
415.14612	15.7
441.33890	2.1
451.03012	1.9
605.24603	7.3
623.25287	5.1
853.23877	2.1
883.47058	60.7
884.47833	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	883.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	29.8
68.68872	1.1
69.03457	1.7
71.01389	24.4
72.01707	1.5
73.02946	4.8
80.02665	1.5
81.03469	5.6
83.01406	3.0
83.05025	2.8
85.02959	7.2
87.00874	6.0
89.01932	1.9
89.02456	21.6
91.89561	1.0
95.01382	2.2
96.96025	1.1
97.02976	11.3
99.00855	3.4
101.02445	18.4
107.05010	2.4
109.06603	37.2
110.03734	2.7
110.06887	1.1
113.02477	12.5
116.92859	6.5
119.03501	4.9
120.71001	1.2
121.06585	1.8
125.02449	7.3
132.06929	1.1
135.08182	3.3
136.05312	1.8
141.01955	1.7
142.02702	2.1
143.03473	2.8
161.04541	3.7
161.09758	2.5
163.11304	20.2
173.23515	1.0
179.05597	6.0
181.12354	4.9
189.09286	2.2
201.11371	4.1
202.11813	1.5
203.11739	1.2
207.10281	100.0
208.10625	1.3
209.11841	7.3
210.12289	2.0
221.06689	3.4
225.11354	46.4
235.08282	5.5
243.12341	1.6
253.09390	1.5
255.23228	3.6
256.23682	2.7
277.21759	46.9
278.22031	2.2
287.07675	1.5
299.15030	2.1
305.08981	2.0
309.20789	1.5
323.10019	1.4
379.12509	6.5
397.13565	37.3
398.13947	2.8
415.14648	12.2
443.19907	1.1
605.24432	6.0
623.25677	8.1
883.47144	47.7
884.47723	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	883.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58892	1.2
61.98838	12.7
66.60599	1.3
69.03460	2.1
71.01387	27.3
72.99287	1.5
73.02952	5.1
81.03467	3.0
83.01386	2.0
83.05035	2.7
83.91935	1.3
85.02953	5.4
87.00891	4.9
88.58591	1.6
88.63279	1.3
89.02455	18.5
93.03462	1.6
95.01393	3.1
96.95990	1.5
97.02953	12.2
99.00871	2.5
101.02460	19.1
102.25761	1.3
107.05035	1.6
109.06594	28.0
109.07273	2.4
110.03757	2.6
113.02441	11.5
113.80502	1.4
116.92869	2.4
119.03510	5.6
121.06624	2.9
122.15794	1.2
125.02438	8.3
135.08186	5.0
136.05278	1.8
137.72255	1.3
141.01959	1.8
142.02748	1.8
143.03467	3.4
161.04604	1.9
163.11299	19.1
176.94894	1.9
179.05626	5.7
181.12299	4.2
189.09096	2.2
189.94237	1.3
201.11301	3.0
202.79572	1.3
207.10278	100.0
208.10628	1.9
209.11870	8.1
210.12155	2.0
217.07153	1.4
221.06573	2.5
225.11325	39.0
235.08237	5.9
236.37650	1.3
243.12328	1.5
254.14888	1.3
255.23376	3.1
277.21747	69.3
278.22018	2.0
305.08960	2.4
379.12317	6.5
397.13480	50.0
398.13229	1.6
415.14639	14.4
428.02560	1.4
507.69763	1.7
587.24799	2.1
605.24707	7.5
623.25616	7.1
883.47015	55.2
884.48187	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	884.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.13306	0.3
102.45640	0.3
110.57252	0.3
144.92387	0.3
171.08154	0.3
207.10529	0.3
211.55554	0.3
212.06516	0.3
297.41110	0.3
317.50851	0.3
499.59967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.89565	0.3
67.36672	0.4
71.43687	0.3
87.71629	0.3
106.89482	0.4
207.10367	1.4
225.11470	0.7
277.21667	0.5
283.62006	0.4
312.75021	0.4
382.92136	0.5
542.71899	0.4
598.61401	0.5
640.33557	0.4
892.55383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
66.34132	0.3
78.97407	0.3
79.25723	0.3
80.96561	0.5
89.80725	0.3
109.06599	0.4
110.99010	0.3
128.25520	0.3
175.86302	0.4
187.73872	0.3
207.10316	0.5
209.11893	0.6
220.79555	0.3
313.06204	0.4
527.33374	0.3
724.14447	0.4
884.47247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56454	0.3
61.98841	1.5
69.03449	1.0
71.01386	17.5
72.99339	0.4
73.02951	2.7
75.00858	0.5
77.11822	0.3
80.02669	1.3
81.03466	1.9
83.01395	1.8
83.05033	5.4
84.02154	0.6
85.02952	4.0
87.00882	4.1
87.04483	0.3
89.02454	14.3
93.03448	0.3
95.01389	1.3
95.05029	0.7
97.02970	2.8
98.22723	0.7
99.00914	0.6
99.04529	0.3
101.02456	11.6
103.00384	0.3
107.05039	0.3
110.08680	0.3
111.00894	0.4
111.04543	0.6
113.01722	0.5
113.02463	7.1
115.03989	0.3
119.03513	3.9
121.08065	0.3
125.02463	5.4
125.06087	0.4
131.03529	0.5
133.05103	0.5
135.08104	0.6
139.04007	0.7
141.01924	0.4
143.03502	2.3
149.04468	0.3
161.04581	2.9
163.11330	3.5
165.12891	2.6
167.03481	0.8
169.05055	0.3
179.05629	3.8
181.12338	0.7
191.10826	1.1
209.11844	100.0
210.12190	2.4
213.98341	0.3
216.19475	0.3
217.07185	1.1
219.05103	0.3
221.06537	0.8
227.12920	12.9
230.01471	0.3
235.08234	4.6
245.06609	0.4
251.13028	0.7
253.09366	0.9
263.07730	0.5
277.21747	52.3
278.22122	2.5
278.83731	0.3
287.04968	0.4
287.07565	1.9
294.13046	0.3
305.08765	1.7
323.09869	1.1
361.11206	0.8
379.12463	6.7
397.13541	40.2
398.13904	1.2
415.14627	9.6
529.63550	0.3
607.26471	0.7
675.36115	0.3
729.25830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70123	0.2
61.98835	1.8
63.96224	0.4
64.40190	0.2
69.03465	1.2
71.01386	12.8
72.99323	0.5
73.02957	1.8
75.00866	0.3
76.62769	0.2
79.95729	0.6
80.02277	0.2
80.02676	1.3
80.96507	0.3
81.03469	2.3
83.01382	1.6
83.05031	4.9
83.63154	0.2
84.02163	0.9
85.02950	3.3
87.00881	3.4
87.71000	0.2
89.02454	11.9
92.00246	0.2
95.01397	0.9
95.05024	0.9
96.96022	0.3
97.02940	1.9
97.06564	0.3
99.00879	0.7
101.02451	10.3
107.05001	0.2
109.02940	0.3
109.06604	0.4
110.03732	0.2
111.00903	0.4
111.04532	0.4
113.02455	6.2
115.03954	0.3
116.92899	0.5
119.03513	3.1
121.48492	0.2
125.02458	4.5
125.06059	0.5
127.04050	0.3
129.01935	0.3
131.03485	0.6
133.05060	0.4
135.08153	0.7
139.03983	0.5
143.03484	1.8
149.04533	0.3
161.04572	3.0
163.11298	3.9
165.12837	2.4
167.03496	0.4
179.05618	3.9
181.12337	0.7
191.10747	0.9
197.11856	0.4
199.06154	0.5
207.10220	0.3
209.11839	100.0
210.12180	3.1
211.13358	0.3
215.12936	0.5
217.07182	0.5
221.06699	1.1
225.11258	0.3
227.12907	10.4
228.13260	0.3
235.08234	3.8
245.06717	0.3
251.12898	0.9
253.09329	1.0
259.08331	0.3
263.07797	0.5
277.21738	41.8
278.22061	2.3
287.07678	1.5
289.18137	0.4
293.21512	0.2
305.08850	1.6
305.17511	0.6
306.17792	0.3
307.19064	0.6
323.09805	0.9
351.10492	0.3
379.12521	5.6
397.13513	28.1
398.13858	0.9
415.14581	7.3
416.14368	0.4
589.25293	0.5
607.26245	1.0
831.46222	0.4
885.46497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	7.6
64.24591	1.2
69.03460	5.0
69.18710	7.8
71.01379	14.6
71.06299	1.2
73.02953	2.0
80.91714	1.5
81.03484	1.3
82.95411	3.4
83.01392	1.8
85.02950	2.2
87.00884	3.7
89.02451	9.8
95.01410	1.6
96.96016	17.9
97.02956	2.5
98.95588	2.9
99.92601	2.5
101.02454	12.2
113.02442	5.8
116.92870	7.2
119.03522	3.1
125.02456	3.1
125.92812	1.5
133.98148	1.3
143.03409	1.8
161.04623	2.0
167.10805	3.1
171.10278	2.7
179.05591	5.0
179.10750	1.5
179.14395	3.6
195.13918	12.2
197.11920	7.0
205.12340	9.4
209.11899	3.3
221.06641	2.1
223.13409	100.0
224.13698	2.1
235.08315	3.4
253.09360	2.1
286.32693	1.5
291.19720	2.3
305.08713	1.5
309.20630	3.8
323.10480	1.4
379.12216	3.3
397.13492	30.7
415.14413	5.4
603.26758	14.0
621.27704	14.9
631.44336	1.6
809.39886	2.1
827.40723	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	887.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65998	0.3
67.01897	0.3
68.99822	0.5
71.01385	7.1
73.02946	2.4
83.01394	1.3
85.02958	4.7
87.00900	0.6
89.02454	1.0
95.01372	1.5
97.02979	0.3
99.00896	0.8
99.04522	0.9
101.02450	5.9
107.01350	0.3
113.02464	5.3
123.00890	0.8
124.01684	0.4
125.02475	2.6
138.34457	0.4
143.03532	0.6
157.02933	0.3
159.02986	0.4
161.04558	1.7
166.99947	0.4
169.01402	1.8
173.02408	0.4
176.54477	0.3
185.02527	0.4
201.01950	0.5
203.03387	0.3
229.01425	1.0
247.02496	0.3
257.01016	0.4
275.02057	0.9
299.99124	0.7
300.96509	0.4
300.99924	6.9
413.14703	0.4
425.31094	0.4
427.32465	0.8
429.21387	0.5
439.32263	0.8
459.34979	0.9
466.02573	0.8
467.03635	14.5
473.32828	0.6
503.33813	5.0
517.35242	0.5
538.48724	0.3
545.35651	0.6
665.39124	100.0
666.39423	6.8
679.36621	2.3
707.40173	7.8
708.39844	0.4
737.41644	0.4
825.32672	0.4
827.43738	0.6
887.47101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93871	1.1
69.03458	3.1
71.01390	41.4
71.01795	2.0
73.02951	100.0
75.00906	1.2
78.29765	1.0
83.01391	24.1
85.02974	7.1
87.00914	1.9
89.02446	15.7
95.01400	2.4
96.96062	1.3
97.02998	1.6
99.00880	1.5
101.02451	74.6
113.02466	27.1
119.03506	8.4
122.39524	1.2
125.02470	3.1
131.03516	8.4
136.01665	10.5
143.03514	7.8
149.04570	16.3
151.04028	16.7
155.03526	2.2
161.04568	25.3
199.51892	1.1
203.05603	2.3
221.06671	6.7
228.97493	1.5
300.99686	2.0
357.13467	15.8
380.43073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	20.6
69.20538	34.1
71.01376	13.0
79.51477	5.3
84.95162	6.6
85.00439	13.1
85.50787	5.9
86.52705	5.7
98.21784	11.0
99.92593	9.4
101.02437	12.4
103.01443	6.7
105.01965	8.1
111.08176	9.6
116.92872	83.7
124.29562	5.4
171.10280	10.9
185.11809	5.7
197.11864	50.8
204.47372	5.9
209.11876	17.6
227.12820	12.6
232.00606	6.0
245.19153	11.8
253.09268	45.3
289.18124	58.3
291.19644	42.8
293.21201	36.5
297.15237	6.3
305.17865	8.9
307.19196	61.7
309.20737	100.0
341.23349	25.9
565.60962	6.7
631.95782	6.8
889.50098	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	889.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	48.6
63.43428	10.0
71.01382	21.2
85.00451	24.9
96.96011	23.9
103.01487	10.0
116.92872	100.0
171.10269	19.1
172.19629	11.0
197.11775	29.0
207.10368	14.6
209.11852	19.3
211.13496	17.8
253.09265	57.1
265.14764	15.5
289.18152	26.4
291.19760	70.0
293.14877	10.6
293.21210	82.4
294.21255	13.7
297.15366	11.0
300.99988	20.3
305.17557	15.2
307.19147	39.0
309.20627	68.6
341.23300	33.7
721.88544	17.7
889.50543	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5095
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
61.98833	22.6
66.24490	13.0
69.14987	18.5
69.15395	61.1
71.01392	12.0
86.21368	11.7
89.02459	14.4
89.69207	11.2
96.96023	24.0
98.21870	25.0
102.46413	12.5
109.06554	11.4
115.05052	12.2
116.92889	55.7
134.54845	12.7
143.05110	11.4
187.54218	10.3
196.54280	10.3
197.11870	17.7
235.08220	12.2
253.09300	67.2
263.65012	12.0
265.14853	14.0
282.00162	11.3
289.17929	19.5
291.19559	55.3
293.21194	99.4
307.19165	25.5
309.20715	42.9
341.23325	100.0
359.88922	10.6
377.68378	12.5
577.31696	19.0
617.43872	17.8
715.00879	12.1
889.50647	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	18.1
71.01392	18.8
92.13472	10.0
101.02490	11.9
111.08222	12.8
116.92878	70.1
139.53903	13.1
140.68849	11.4
147.09529	11.1
154.64742	10.3
161.04559	10.1
197.11862	55.3
209.11902	21.6
223.13342	12.0
253.09311	59.2
289.18170	68.5
291.19724	63.3
293.21341	66.6
307.19162	66.7
309.20801	100.0
341.23270	47.4
456.18048	10.8
518.80023	11.7
577.32513	17.0
614.42749	13.0
838.31573	12.3
889.50555	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	891.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	3.1
71.01391	12.7
73.02928	2.8
76.00826	1.3
81.03458	1.6
85.02961	4.6
87.00874	1.4
89.02457	12.2
89.18464	1.6
92.69656	1.4
95.01363	3.1
97.02943	4.0
101.02462	13.5
103.01488	1.7
107.01394	11.6
111.00912	2.5
113.02442	7.1
115.04013	3.7
119.03492	4.7
123.00884	12.3
124.01662	9.7
125.02459	87.8
136.98787	1.8
139.00375	2.9
140.01164	3.7
143.03455	1.9
151.00343	4.8
167.03622	1.9
168.00697	7.6
169.01442	100.0
179.03563	2.2
193.01247	1.8
193.16028	4.9
209.11887	2.9
211.02493	15.6
237.14961	4.7
271.04575	17.2
275.01804	2.4
313.05505	5.5
332.42584	1.6
353.73300	1.6
407.17230	2.6
435.22144	2.5
569.22211	5.2
587.23413	6.1
706.84595	1.7
721.23505	4.9
739.24597	30.3
740.25018	1.9
749.13336	1.7
891.25653	86.7
892.26044	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	891.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.6
71.01415	0.6
72.99335	0.7
87.00885	8.1
89.02472	0.7
93.03464	1.9
97.06598	10.5
101.02473	0.6
102.98615	1.3
105.03478	0.8
107.05067	3.8
111.04542	1.5
112.05335	2.3
113.02462	0.5
119.05060	1.0
121.02966	33.1
122.03755	7.1
123.00919	0.5
123.04526	2.1
124.01686	0.9
125.02438	1.9
130.99866	0.5
133.71944	0.5
135.04553	1.6
137.02454	1.5
147.04544	11.8
148.05318	4.4
149.02466	1.1
149.06039	1.2
163.04018	10.5
164.04785	3.0
165.05556	2.0
168.00655	0.7
169.01443	3.2
175.07693	0.5
179.03529	0.8
191.03500	4.7
192.04317	3.1
193.05093	2.1
195.06587	0.8
201.09203	2.0
211.02518	3.7
219.10272	3.0
219.43903	0.6
229.18059	0.5
249.59966	0.5
261.11298	0.9
271.04642	5.6
289.10846	1.3
291.08810	1.3
300.99878	0.8
307.11752	1.3
309.09824	8.2
331.06775	1.6
351.10889	6.3
352.11176	0.5
367.10446	1.3
368.10867	1.3
369.11905	100.0
370.12225	3.2
461.07251	0.5
521.20282	3.4
539.14099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.33
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42982	0.4
69.03452	0.9
80.91698	1.0
85.02958	0.6
87.00895	4.4
95.01399	0.4
96.96046	2.3
97.06604	2.6
98.21863	0.7
116.61084	0.4
119.05065	0.6
121.02953	1.1
122.03757	0.4
123.00919	0.9
123.04526	1.5
124.01625	0.4
125.02470	2.3
126.02769	0.5
135.04558	0.7
135.59146	0.5
145.01439	0.4
145.02939	0.5
146.03752	3.2
147.04565	0.4
148.05263	0.5
149.02499	0.5
149.06110	0.6
159.04530	5.3
161.06073	2.0
162.03200	0.6
163.04030	2.8
163.07661	0.9
164.04800	4.2
169.01474	1.8
170.01762	0.6
171.08112	0.5
172.05298	0.8
173.02440	0.6
173.06108	0.7
174.03288	2.5
174.06882	8.3
175.04008	1.4
175.07660	5.5
185.06032	0.6
186.06839	1.9
187.04039	0.6
187.07669	1.1
188.04805	33.4
189.05585	11.3
189.09207	1.2
190.06233	0.9
199.07671	1.3
200.08438	0.8
201.05685	1.0
201.09085	0.6
202.06288	0.7
203.07152	5.7
204.07913	8.5
205.08701	1.2
213.05594	0.7
214.06366	6.0
215.10701	0.6
216.07858	1.0
217.08713	100.0
218.09030	2.2
219.10245	1.7
225.09218	1.5
232.07361	2.3
243.10280	14.3
244.10405	0.4
259.09659	0.5
261.11337	49.3
262.11694	1.2
274.01178	0.5
299.99176	0.6
300.99979	0.8
331.08060	0.4
349.00409	0.4
349.05051	0.8
349.09348	14.7
351.10968	1.0
433.03995	0.4
541.22717	4.1
543.23334	0.7
739.15820	0.6
891.17627	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	5.4
72.87634	2.9
73.02922	3.0
75.74313	2.6
84.95092	4.4
85.00466	18.3
85.02986	3.1
87.00389	2.6
87.00895	11.6
87.47710	2.8
88.98810	8.0
89.02492	3.3
94.54095	2.5
96.96017	9.4
99.92595	11.0
103.00432	14.0
103.01501	58.3
105.01971	7.4
115.03523	2.5
116.92868	100.0
117.01995	3.0
117.92880	24.7
118.92715	10.5
134.89441	2.8
154.14395	2.6
178.16898	2.4
197.11885	4.6
197.31038	3.0
209.11853	3.6
211.13451	5.0
212.80438	3.0
229.14400	3.5
235.08244	4.0
253.09314	14.1
291.19696	7.2
309.20740	38.9
310.21149	3.5
327.21829	38.9
375.52371	2.9
444.71286	3.4
545.29651	11.9
563.30823	11.5
632.37823	3.1
855.50409	4.8
891.49097	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	12.7
69.30403	0.6
71.01372	1.9
71.42811	0.7
73.02924	0.8
79.01897	3.8
82.07745	0.5
85.02934	0.6
87.00867	0.8
89.02437	0.7
96.95959	0.7
97.02952	9.4
101.02463	1.1
107.01405	11.4
108.02179	25.2
113.02462	0.8
120.73543	0.6
123.00871	1.6
125.02454	14.1
135.00894	43.3
136.01311	0.7
151.00359	0.7
152.01163	67.8
168.56232	0.6
169.01392	0.7
172.92059	0.6
207.10335	0.9
209.11801	2.4
242.05766	1.3
243.06622	100.0
244.06979	2.5
275.01608	0.8
285.07776	1.1
300.99893	1.5
315.18011	1.6
387.10825	2.2
447.12943	1.6
510.70978	0.7
716.73969	0.7
857.57990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.7
71.01389	1.3
72.99306	0.8
75.00863	0.6
83.01397	7.5
85.02966	1.1
87.00883	23.1
96.19969	0.5
96.96055	0.6
97.06601	2.2
99.00888	9.1
101.02464	1.9
107.01403	1.1
111.00945	0.7
115.22713	0.5
117.01952	4.6
119.05042	4.0
121.02972	2.7
122.03757	1.1
123.00883	4.2
123.04531	1.2
123.75986	0.5
124.01691	2.5
125.02467	5.0
130.99858	6.1
140.01186	0.7
141.01955	0.7
145.01443	34.6
146.03761	2.9
147.04556	2.4
151.00415	2.8
159.04482	1.6
161.06178	0.7
162.06851	0.7
163.04066	4.9
163.07657	1.9
164.04759	0.9
165.05167	0.8
168.00674	0.8
169.01439	5.0
172.05310	2.2
173.06076	1.3
174.03177	1.0
174.06876	1.3
175.04088	1.6
175.07657	11.6
176.04857	0.7
176.07982	0.8
185.06094	0.7
186.06859	1.7
187.02499	7.5
187.07631	2.2
188.04820	4.5
189.05461	2.7
189.09270	0.7
190.06308	2.3
191.10739	1.0
197.05983	0.8
200.04802	4.2
201.05580	0.7
201.09276	4.8
203.07202	5.0
204.07899	2.3
205.03548	26.6
206.04027	0.8
214.06259	0.7
215.07034	0.8
217.08717	16.0
218.09114	5.4
219.10414	6.3
227.10834	2.1
228.08025	1.2
229.08713	15.9
230.09091	1.1
242.05649	0.8
243.10309	2.4
244.10558	1.4
245.08231	3.6
245.11832	1.9
247.09795	2.2
253.63480	0.6
254.04326	5.2
261.11374	5.6
262.11578	3.2
263.11890	1.2
267.07358	0.8
271.09860	1.7
273.07700	10.0
289.10776	1.2
291.05154	2.6
291.08368	0.6
300.04153	0.6
300.99933	1.4
333.09778	3.8
349.09509	1.2
350.09830	1.6
351.10889	100.0
352.11279	3.3
541.22955	53.5
542.23328	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	895.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55755	1.6
67.34514	1.7
68.88177	1.7
69.03455	1.6
69.45340	8.1
71.01388	87.1
72.99306	1.9
73.02954	27.2
83.01382	10.8
85.02959	42.7
87.00874	2.7
89.02451	39.0
95.01385	5.4
98.21937	3.7
99.00897	7.8
101.02452	71.4
101.03115	4.0
113.02456	42.0
119.03502	14.3
125.02399	2.2
131.03468	2.1
143.03526	7.5
145.00346	1.8
159.02992	6.8
161.04568	39.2
179.05641	22.0
180.63290	1.8
186.43204	1.8
251.09300	3.0
269.10309	100.0
270.10690	3.4
299.99106	26.0
300.99884	13.3
311.11359	48.6
447.05707	31.5
448.05942	2.6
456.88419	2.2
568.64252	1.8
762.72668	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	895.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.4
67.65503	0.3
69.41068	1.5
71.01385	1.6
73.02943	1.8
83.01401	0.7
84.57229	0.3
85.02946	0.9
86.30053	0.3
95.01391	0.9
97.02985	0.4
101.02463	1.9
107.01398	1.9
111.00903	0.8
113.02483	0.9
116.79464	0.3
121.02954	1.1
123.00900	6.8
124.01670	5.9
124.83482	0.3
125.02463	7.8
127.00449	0.4
136.98820	0.6
139.00410	0.8
140.01181	1.2
141.01991	1.6
151.00383	5.1
153.01967	0.6
161.04625	0.7
168.00620	1.3
169.01443	8.2
211.02539	0.8
271.04617	0.4
313.05707	0.9
332.09509	0.4
369.11761	1.8
447.84058	0.4
499.47913	0.4
525.23438	100.0
526.23627	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	897.463
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19670	6.9
70.28304	7.9
71.01383	17.5
76.53246	7.7
89.02428	18.1
89.15488	7.4
98.21892	19.1
101.02462	12.7
109.06612	21.9
113.02417	10.0
122.46399	9.6
143.03526	10.1
163.11264	11.4
207.10289	79.4
221.06789	8.9
225.11363	34.0
235.08200	12.1
255.23309	80.1
258.08566	8.8
265.61111	8.2
379.12201	15.0
397.13525	76.0
400.07431	8.3
415.14282	17.6
520.65570	9.5
605.24261	15.8
653.37714	22.6
766.18140	9.4
861.48682	100.0
897.46552	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11726	5.4
71.01390	67.3
71.05032	2.3
73.02952	35.4
83.01402	5.4
83.05036	28.9
85.02960	34.4
87.00853	2.1
89.02459	26.9
95.01409	6.7
97.03014	2.3
99.00891	7.6
101.02455	36.9
113.02452	29.2
115.07629	2.6
116.45601	1.9
119.03493	9.9
124.28522	1.9
125.02458	2.4
131.03522	2.3
143.03491	3.1
159.10304	26.2
161.04572	20.3
179.05630	7.6
238.29410	1.8
267.13818	2.1
283.17081	2.2
300.99881	4.8
301.18021	4.8
313.16537	5.1
319.19388	10.0
319.22440	2.1
331.17642	24.1
373.18701	100.0
479.30182	71.6
480.30563	3.3
494.04221	2.2
836.94702	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	897.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	3.0
71.01385	15.5
73.02944	2.3
81.03449	0.6
83.01382	1.1
83.05020	0.5
85.02968	4.2
87.00863	2.8
89.01941	0.9
89.02454	13.6
93.03484	0.6
95.01364	1.6
96.95984	0.6
97.02989	2.7
97.03505	0.5
98.21878	1.3
99.00833	1.1
101.02460	10.5
109.06592	0.6
111.04523	0.7
113.02452	7.4
119.03488	3.8
121.02966	0.6
122.99755	0.6
125.02478	4.3
125.09798	0.6
128.13940	0.5
132.09821	0.6
141.01797	0.7
143.03479	1.9
161.04579	2.5
167.10774	3.0
167.12029	0.6
174.30434	0.4
175.77115	0.4
177.12798	0.8
179.05626	3.9
179.10767	0.8
179.14415	3.6
181.12312	0.5
188.73343	0.5
195.13913	14.9
196.14612	1.2
205.12375	7.9
205.15918	0.7
221.06622	2.4
223.13403	70.6
224.13799	1.0
225.15106	1.1
235.08226	4.4
253.09250	0.8
256.13147	0.8
265.21701	0.8
271.30417	0.5
275.20120	5.3
287.07697	1.2
293.21252	100.0
294.21616	3.1
305.08691	1.1
323.09702	1.1
379.12656	3.1
397.13528	34.1
398.13351	0.6
415.14615	11.4
603.26733	4.4
621.27631	9.3
673.34589	1.0
691.35492	1.4
859.99274	0.5
897.48529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	3.0
71.01389	100.0
73.02953	5.2
75.00884	4.6
76.74892	1.9
80.96550	1.6
81.03493	2.0
85.02974	6.8
87.00880	5.5
89.02451	18.6
89.32445	1.5
95.01387	1.8
97.02970	5.0
99.00888	2.6
100.33324	1.7
101.02448	16.4
109.06604	4.7
113.02477	10.4
118.78159	1.5
119.03517	6.4
122.37077	1.7
125.02460	8.2
125.09760	2.0
127.11307	2.8
159.17644	1.6
161.04564	2.4
163.11336	1.6
171.08778	2.7
171.10277	55.5
172.10600	2.2
174.90421	1.6
179.05675	3.8
181.12421	1.8
199.09866	10.5
201.11336	11.1
207.10312	14.5
209.11543	1.6
225.11325	12.7
226.62065	1.6
235.08278	6.6
243.12241	2.0
255.23309	71.4
256.23694	2.6
305.08420	1.9
379.12405	7.9
386.57721	1.9
397.13480	33.8
415.14700	9.5
571.27032	2.1
861.49036	8.9
897.51251	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	898.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
89.57449	24.2
90.34975	20.7
95.14897	24.2
98.21864	79.0
123.04807	23.4
209.11859	100.0
227.69907	28.6
235.48009	24.9
266.30881	23.5
397.98157	22.6
485.92386	26.1
617.78253	27.2
898.40326	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	3.2
71.01391	26.6
72.99324	1.6
73.02952	4.6
80.02667	2.4
81.03442	3.5
83.01368	4.4
83.05032	3.7
85.02961	6.9
86.31027	1.3
87.00880	7.8
89.02451	22.4
92.92796	2.2
96.96008	4.6
97.02982	11.0
99.00894	3.4
101.02448	18.1
109.05892	2.6
109.06599	31.7
110.03698	1.9
111.08168	2.9
113.02458	10.9
118.00811	1.5
119.03484	5.0
121.06608	3.1
123.04526	3.9
125.02443	9.8
135.08122	4.6
141.01878	1.6
143.03503	3.7
161.04561	4.6
163.11311	21.1
165.12886	2.1
171.10304	1.6
179.05582	4.7
181.12347	5.9
189.09138	2.4
195.13936	8.5
207.10269	87.9
208.10585	2.4
209.11829	37.3
211.13425	3.6
214.07028	1.3
221.06761	2.3
223.13385	6.2
225.11354	44.0
227.12836	5.8
235.08240	6.2
238.84579	1.5
243.12376	4.0
253.09308	2.0
275.19992	3.1
291.16470	2.0
291.19711	28.5
292.19760	1.9
293.21255	100.0
294.21631	4.2
323.09952	2.1
357.90823	1.7
379.12347	2.9
397.13504	50.1
415.14581	19.6
501.32211	2.5
605.24799	9.2
623.25409	10.2
881.44965	4.0
899.46472	54.5
900.46619	3.4
902.72144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.0
69.17305	2.8
71.01390	15.4
71.05026	0.9
72.99316	0.5
73.02954	3.2
78.54205	0.5
80.02692	1.7
81.03464	2.2
83.01391	1.8
83.05036	7.0
84.02184	1.1
84.59337	0.4
85.02957	3.2
87.00885	3.1
89.02451	12.4
93.03407	0.6
95.01374	1.3
95.05048	1.0
96.96017	1.9
97.02949	2.0
97.06615	0.7
99.00878	1.0
101.02441	10.8
109.06607	1.2
111.08154	6.6
113.02455	6.0
119.03503	4.3
125.02459	4.8
126.90412	2.6
131.03540	0.8
134.89011	0.5
135.08144	0.9
137.09741	0.7
139.04037	0.5
141.01926	0.6
143.03522	1.6
149.04517	0.7
161.04631	3.3
163.11317	5.1
165.12840	2.0
167.10780	1.4
171.10434	0.6
177.12862	0.9
179.05608	3.5
179.10834	1.5
180.39549	0.5
181.12355	0.6
191.10841	1.0
195.13936	3.2
207.10242	1.4
209.11847	100.0
210.12213	2.3
221.06712	1.5
225.11345	2.2
227.12907	12.5
235.08260	3.9
247.20685	1.4
249.63019	0.5
253.09439	0.6
273.18509	1.1
287.07843	1.3
291.19693	71.9
292.17163	0.6
292.19781	2.7
293.21259	2.0
305.08875	1.6
323.09891	1.2
329.21344	0.7
379.12402	3.2
397.13516	34.9
398.13834	1.6
415.14612	9.1
589.25220	0.8
607.26324	1.9
671.32941	2.0
689.34314	2.4
881.45551	1.1
899.46582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26787	0.6
64.90833	0.7
69.03469	0.8
71.01388	19.2
73.02959	3.7
78.04079	0.6
79.27982	0.6
80.02672	1.5
80.96511	0.8
81.03458	2.3
83.01390	1.6
83.05043	5.9
83.20753	0.6
85.02958	4.6
87.00874	3.3
89.02454	16.8
94.98119	0.8
95.01395	1.6
95.05015	1.9
96.96017	2.7
97.02948	3.7
101.02449	14.0
109.06632	3.8
111.08173	7.4
113.02467	6.7
118.90338	0.7
119.03503	3.7
125.02463	5.5
126.90389	3.0
135.08199	0.7
139.03990	0.9
141.02028	0.8
143.03516	2.3
161.04520	3.7
163.11278	5.9
165.12869	2.8
167.10818	0.9
171.10309	1.3
177.12871	1.9
179.05675	3.8
179.10818	1.9
181.12393	0.8
191.10789	1.5
195.13914	6.1
207.10341	5.8
209.11850	100.0
210.12184	1.3
221.06639	2.1
225.11400	3.6
227.12923	15.1
235.08244	4.5
247.20660	1.9
273.18463	1.0
275.36523	0.7
287.07944	0.8
291.19687	91.9
292.20013	2.3
293.21274	6.2
305.08752	1.5
309.20694	0.9
323.09851	1.0
329.21161	1.2
379.12494	4.6
397.13547	37.2
398.13898	1.1
415.14624	10.3
464.23172	0.7
605.23785	0.9
607.26172	2.1
671.33209	2.2
689.33868	7.0
881.44812	1.3
899.46387	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	900.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21045	35.5
80.96510	47.0
96.96055	68.0
116.92875	57.5
171.10324	44.7
176.77234	32.1
190.93468	39.5
296.94064	36.3
315.30588	33.5
344.54330	34.9
900.46130	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	900.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89708	22.3
66.35371	23.0
67.65606	25.9
70.75626	26.2
79.95736	33.0
96.96011	53.8
116.92854	50.8
118.57585	26.2
246.66742	23.2
251.98770	21.6
316.27960	21.5
457.89462	22.5
471.34732	34.3
900.46564	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	901.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05947	4.5
69.06348	2.8
71.01390	10.0
72.65672	1.3
73.02946	3.4
79.59874	1.1
80.56157	1.3
83.01391	1.5
85.02950	7.1
91.65775	1.1
95.01411	1.6
100.48657	1.2
101.02457	6.7
101.42213	1.1
105.51357	1.5
113.02446	5.8
155.71219	1.1
161.04620	1.9
169.01352	1.7
200.22768	1.3
224.64922	1.2
234.40834	1.2
312.12866	1.2
347.28967	1.5
473.32651	33.4
531.34106	1.3
559.32635	3.5
635.38025	22.1
679.37048	100.0
680.37201	5.1
714.61017	1.8
721.38062	23.3
841.42175	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98715	0.5
68.00426	0.6
69.03447	1.3
70.66705	0.8
71.01025	0.9
71.01388	15.8
72.99313	0.8
73.02952	2.8
80.02672	1.7
81.03452	2.2
83.01381	1.8
83.05030	6.2
84.02195	0.7
85.02948	3.1
87.00903	2.6
89.02453	13.9
92.34509	0.5
93.03458	0.5
94.92500	0.7
95.01372	1.8
95.05032	0.9
96.96029	6.3
97.02948	1.8
99.00889	1.1
101.02447	11.3
109.06643	0.8
111.08168	0.6
113.02454	6.6
119.03503	3.6
121.73777	0.6
125.02453	5.5
125.06122	0.8
131.03496	1.0
134.89430	0.7
135.08154	1.3
141.01976	0.6
143.03464	2.1
161.04546	2.5
163.11328	5.1
165.12802	2.8
169.01521	0.8
179.05611	4.3
181.12329	1.1
183.13907	0.7
191.10748	1.0
195.13905	5.5
196.14612	1.3
205.12415	0.7
207.10225	0.6
209.11842	100.0
210.12158	2.0
211.13435	1.9
221.06622	0.7
223.13417	4.4
225.11139	0.7
227.12883	12.9
235.08263	3.7
235.16975	1.5
239.13083	0.7
253.09331	0.8
256.13214	1.0
275.02029	0.7
275.20154	7.6
287.07605	1.3
291.19763	0.7
291.68820	0.6
293.21246	98.3
294.21536	3.7
298.11710	0.5
305.08865	2.1
309.20819	1.1
323.09708	1.4
379.12387	3.7
397.13538	40.5
398.13766	1.3
415.14566	12.9
419.99872	0.7
448.28360	0.6
532.37909	0.6
546.87781	0.6
607.26129	3.1
625.27185	0.6
673.34222	0.7
691.35120	0.8
901.48126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99552	0.5
69.03462	1.1
69.99740	0.4
71.01387	13.6
71.52866	0.4
73.02943	2.3
75.00871	0.7
75.36816	0.4
80.02673	1.1
81.03463	1.8
83.01389	2.0
83.05035	4.7
84.02164	1.1
85.02975	2.8
87.00864	2.9
89.02450	11.5
95.01395	1.2
95.05019	1.1
96.96023	4.7
97.02956	2.5
98.21810	1.0
99.00881	0.6
101.02457	9.0
109.06598	0.7
113.02455	5.6
113.35605	0.4
116.92899	1.1
119.03516	4.1
125.02466	4.0
125.06122	0.7
125.09759	0.7
131.03543	1.0
135.08159	0.6
141.01895	0.5
143.03517	1.9
161.04565	1.9
163.11285	4.1
165.12823	2.2
169.01474	0.8
171.10286	0.9
178.09843	0.6
178.14644	0.5
179.05605	4.1
179.14482	0.7
181.12552	0.5
191.10719	1.3
195.13922	6.8
196.14668	1.4
205.12413	0.7
207.10216	0.6
209.11839	89.9
210.12248	2.4
211.13371	1.2
221.06671	1.2
223.13383	4.5
224.14296	0.5
225.11375	0.8
227.12891	11.3
228.13516	0.6
235.08211	4.4
253.09251	1.5
256.13254	1.3
275.20129	6.4
287.07764	1.2
291.19540	0.8
293.21249	100.0
294.21542	4.6
300.99973	0.6
305.08807	0.9
309.20825	0.6
323.09937	0.9
331.99060	0.4
341.23318	1.7
379.12561	3.5
397.13519	30.6
398.13788	1.2
415.14594	13.0
589.25378	0.7
606.50549	0.5
607.25934	1.3
673.34412	1.4
691.35767	1.3
791.98444	0.5
901.47778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	9.0
73.02969	1.3
76.91695	1.2
81.03465	1.5
82.08718	1.3
83.05022	3.8
85.02956	2.4
87.00854	1.3
89.02455	8.7
96.96032	1.8
97.02982	1.7
101.02459	5.3
113.02488	3.0
119.03536	2.4
123.00907	1.6
125.02431	5.2
143.03542	1.6
161.04596	2.7
163.11310	1.8
165.12787	1.8
169.01445	2.1
179.05629	2.8
191.10822	1.4
209.11850	100.0
210.12222	1.4
227.12901	27.1
230.99449	1.2
231.03040	1.2
235.08200	2.5
275.01953	1.9
300.99890	3.9
323.09738	1.8
379.12656	8.9
397.13507	38.3
415.14529	6.9
550.91461	1.4
589.25378	8.3
607.26105	10.5
799.38007	3.5
817.39825	1.3
903.24542	1.9
903.40186	22.6
904.41138	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	8.3
76.57144	5.2
80.96521	11.4
89.02465	6.8
99.92529	5.2
107.86663	5.2
112.02563	4.9
116.92871	5.2
158.98618	6.0
159.77779	4.7
161.04462	6.1
171.10281	9.7
195.67139	5.5
197.11696	8.4
199.09767	5.8
207.10345	7.3
209.11810	11.0
225.14799	8.7
235.08322	6.5
253.09409	27.0
277.87042	5.8
289.18048	10.3
291.19644	82.0
293.21106	16.6
307.19131	7.6
309.20590	9.0
341.23358	100.0
557.20905	5.8
578.28027	6.1
905.48267	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	906.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94694	3.3
71.01378	12.1
73.02946	5.8
79.96304	3.1
85.00437	11.5
85.02945	4.2
89.02444	12.2
97.02936	3.8
101.02461	11.1
113.02477	5.8
119.03510	5.6
125.02448	5.8
143.91353	3.0
161.04559	4.6
165.12877	4.1
205.63229	3.2
209.11844	100.0
210.12131	7.6
222.45877	3.0
227.12910	10.7
235.08258	5.2
243.08871	2.8
255.23305	54.6
256.23856	4.6
269.29742	3.0
293.21204	4.0
297.62402	3.3
366.69244	4.2
379.12372	12.2
397.13565	38.5
415.14465	6.5
503.90372	3.4
850.75940	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	907.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85583	0.7
70.72674	0.7
70.73004	1.4
71.17844	0.6
73.30571	0.6
89.03982	1.8
90.74840	0.7
91.07349	0.7
92.68941	0.6
93.03481	0.9
105.03471	1.0
106.04282	0.9
108.02164	1.5
117.03483	3.7
119.05039	2.2
121.02980	1.8
122.03800	0.7
132.02196	8.4
133.02971	7.6
134.03761	100.0
135.04568	9.1
136.01671	4.1
137.02469	6.0
139.04013	1.2
145.02919	1.3
146.03766	0.8
147.04526	3.2
148.05324	2.7
149.02481	1.0
149.06099	18.3
150.03230	2.4
151.03998	1.4
159.04494	1.3
160.01686	25.1
160.03040	1.2
161.02467	3.7
162.03204	3.2
163.04036	1.4
164.45757	0.6
165.05582	1.3
173.02635	1.0
174.03300	1.0
175.04030	26.6
177.05626	1.7
178.02739	30.8
179.03496	5.1
192.04305	2.5
193.05084	78.7
194.05386	1.0
207.06668	1.8
223.07692	0.7
235.07547	0.7
237.05568	1.5
239.07224	1.1
249.05623	1.3
250.06500	0.7
251.07068	1.8
263.07062	0.8
264.07953	0.8
265.05127	1.9
265.08765	0.8
265.60410	0.7
266.05795	0.7
267.06677	4.2
269.51712	0.7
277.05209	1.2
279.06705	2.9
279.10342	0.9
280.07416	1.2
281.08368	0.7
282.08917	0.8
293.08072	1.0
294.05707	0.9
294.09067	2.3
295.06256	3.2
296.06876	0.7
307.06235	0.7
308.06921	2.4
308.10391	0.6
309.11481	1.3
310.08527	2.1
311.05545	0.7
311.09268	0.8
323.05850	1.1
323.09265	3.9
325.10733	3.1
338.08115	1.5
339.08414	0.7
341.10443	1.4
342.11081	2.5
343.11826	1.9
353.10284	5.4
357.13507	6.2
371.11380	1.0
397.12827	0.7
475.14316	2.0
487.14020	2.6
489.15231	1.3
490.16290	1.3
501.15494	1.1
502.16217	1.7
503.17209	1.2
504.17764	1.0
505.18765	1.9
517.18921	5.0
531.16284	0.9
557.18665	0.9
606.06647	0.7
626.48749	0.7
651.22443	1.0
663.22748	2.8
665.24219	2.4
677.23706	1.4
701.26178	2.1
713.26324	1.8
771.27063	1.6
874.29822	0.9
877.30908	22.9
878.31219	3.5
889.30872	28.9
890.31714	2.9
903.96985	0.9
907.32324	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89108	1.3
71.01389	79.3
71.43648	1.3
72.99327	3.6
73.02965	7.1
77.65269	1.3
83.01410	7.5
85.02962	21.6
87.00885	5.7
89.02453	67.9
93.03474	2.6
95.01398	6.6
99.00893	2.3
101.01795	2.8
101.02453	46.1
113.02456	28.0
119.03509	27.1
121.02955	6.6
122.03751	12.6
125.02464	1.7
131.03477	2.1
142.06569	1.5
143.03519	5.8
149.02446	26.4
149.04529	2.5
150.03241	88.0
161.02483	1.9
161.04581	3.3
162.03221	3.7
164.04803	4.5
165.05579	75.2
179.05685	9.0
180.04295	4.6
188.26199	1.4
195.06639	35.8
300.99927	4.1
312.10059	3.6
313.10715	4.2
325.10983	2.9
341.10208	7.5
342.10858	1.8
356.12500	6.6
357.13370	5.0
366.99063	1.4
371.15042	8.9
385.12878	4.8
503.15771	13.7
518.17834	9.5
519.19574	5.9
533.20343	100.0
534.20599	4.1
639.03595	1.4
681.25537	90.0
682.25665	3.1
711.26025	2.2
729.27728	53.4
730.28625	2.4
769.05786	1.4
861.31232	7.1
865.94263	1.7
909.33838	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	909.377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11714	12.0
69.12121	30.4
71.01392	100.0
73.02956	32.5
83.01389	9.1
85.02948	43.8
89.02453	30.9
95.01421	10.4
96.96019	8.3
99.00892	11.6
100.75918	5.9
101.02454	57.0
104.34016	6.1
113.02452	31.4
123.56138	6.3
125.02450	9.8
130.74788	6.6
148.33641	6.5
149.04581	9.5
149.96759	6.7
159.02982	6.4
161.04521	31.9
198.91113	5.9
298.12354	7.7
301.00000	8.5
311.09229	15.7
326.11719	18.4
331.17654	88.6
341.13956	31.5
373.18668	42.4
388.78333	6.6
740.09674	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	911.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89136	0.2
70.95957	0.2
70.96316	0.3
91.73335	0.2
101.02545	0.2
107.01312	0.2
129.03477	0.3
132.17361	0.2
143.77913	0.2
145.02972	1.0
147.04568	0.4
151.00351	0.4
157.02945	0.6
163.04034	0.4
170.01257	0.2
173.02440	1.5
178.99890	0.5
185.02429	2.3
189.01915	0.3
191.03458	0.2
199.00400	0.2
200.01266	0.3
201.01965	2.3
216.00696	0.4
217.01523	0.4
218.45749	0.2
226.99876	0.5
228.00768	0.5
229.01424	3.9
243.02968	0.4
245.00943	1.2
254.99319	0.3
255.03075	1.3
257.00909	1.6
271.02484	3.3
273.00369	0.5
275.01941	0.6
282.98935	0.3
283.99686	2.9
299.02139	0.2
299.99167	2.9
300.02802	7.1
300.99918	100.0
302.00259	3.6
433.04129	0.3
609.14606	14.7
610.14655	1.0
733.83270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43987	1.1
89.53670	0.2
107.01418	0.3
117.03500	0.4
133.02954	0.3
145.02977	0.9
147.04550	0.4
151.00394	0.5
157.02971	0.7
163.03943	0.5
169.01407	0.3
173.02454	1.3
185.02448	2.5
189.02020	0.3
201.01918	1.7
217.01454	0.6
226.99854	0.3
228.00700	0.4
229.01421	3.2
243.03024	0.4
245.00977	1.4
255.03098	1.0
257.00986	1.7
268.04443	0.3
271.02484	2.8
273.00552	0.3
275.02042	0.6
283.99652	2.1
299.99176	2.6
300.02817	6.0
300.99945	100.0
302.00327	2.7
609.14624	15.0
610.15179	1.1
841.94421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52448	0.5
69.03448	1.8
69.93390	0.8
70.04064	0.7
71.01379	2.8
81.03462	1.1
83.05036	1.6
85.02932	1.0
87.00883	25.2
89.02448	1.5
95.05024	1.0
98.32302	0.6
101.02463	1.9
113.02496	0.8
115.00384	1.0
115.40562	0.6
121.02956	1.7
122.03762	4.8
123.04552	1.2
125.02480	0.8
130.99879	5.3
135.04526	1.2
137.02457	1.1
139.11998	0.6
146.03748	8.0
147.04527	6.7
148.05310	1.4
149.02449	2.1
149.05966	0.9
150.03137	1.2
158.23627	0.8
159.04527	3.4
160.05318	1.6
161.04868	0.7
161.06087	3.7
162.06853	1.3
163.04022	1.3
163.11278	1.7
172.05301	3.1
173.06039	2.5
174.03229	2.3
174.06853	0.9
175.04022	7.4
175.07640	0.9
175.75821	0.6
176.04825	0.8
185.06105	0.8
186.06845	3.0
187.03984	1.9
187.07524	0.9
188.04836	3.1
189.05583	4.1
190.04648	1.2
190.06372	18.6
197.06126	0.7
200.04811	6.8
200.08430	1.1
201.05540	1.9
201.09189	0.8
209.11845	19.7
211.13443	5.8
214.06389	1.3
215.07260	0.8
216.07928	1.4
231.13893	0.7
245.11783	1.2
253.09410	1.1
254.04321	2.1
255.13968	0.9
270.12616	0.8
271.13403	11.2
273.14993	1.3
274.01056	0.7
283.13370	1.7
285.14954	1.8
287.16516	2.5
289.14532	3.5
297.15033	8.7
299.12949	4.7
311.12985	1.4
313.14661	3.4
315.16019	43.5
315.81055	0.7
317.13904	1.2
323.16528	2.4
325.14490	13.3
331.15384	1.9
333.17130	10.8
339.15805	2.1
341.13889	1.3
341.17557	3.4
343.15482	6.8
357.17044	2.7
367.15567	1.7
369.13281	1.0
385.16827	0.9
488.95596	0.7
821.39276	1.2
833.35876	2.9
849.39246	1.2
851.36578	3.2
875.37103	1.8
893.37988	2.7
911.39252	100.0
912.40887	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	911.7144
Annotation	Unknow
Peak:m/z	Relative Intensity
73.99934	1.6
88.98836	2.0
142.44315	1.6
229.50339	1.7
455.35391	100.0
456.35614	3.3
723.43732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80574	2.8
69.03448	5.7
70.03079	7.4
71.01383	44.8
73.02961	12.1
75.00909	3.2
81.03499	4.8
83.01382	3.8
83.05033	6.7
85.02966	15.7
86.38525	3.0
87.00887	7.4
87.97034	3.1
89.02444	33.9
95.01416	5.5
95.05024	4.8
97.02948	8.0
99.00928	2.8
101.02458	35.0
109.06629	3.4
111.08162	7.7
113.02466	18.5
119.03526	13.0
125.02448	13.3
143.03539	4.7
161.04555	8.4
167.10770	8.1
177.12823	7.3
179.05600	8.8
179.14433	5.5
195.13913	25.8
205.12331	11.6
211.13358	6.7
221.06766	6.7
221.11824	45.3
223.13412	91.0
235.08215	8.6
239.12888	78.6
253.09254	4.1
259.46655	3.3
287.07556	3.0
291.19675	100.0
293.21237	99.9
309.20718	3.6
397.13510	65.1
415.14642	34.8
619.26276	6.6
637.27307	10.1
913.47089	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	915.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41698	4.8
70.69004	5.0
70.91558	7.4
95.01402	8.6
123.00887	16.6
124.01672	6.3
125.02448	17.2
159.04536	11.8
161.02383	6.2
173.02429	8.8
175.03992	20.2
177.01939	11.6
182.24001	5.5
187.04028	9.1
189.01924	8.6
191.03508	7.6
198.18243	6.0
201.01895	9.7
203.03546	44.7
213.02135	7.3
214.02780	7.5
218.02246	9.5
227.03413	4.8
229.01430	17.0
230.02121	6.9
231.02980	43.7
245.00926	13.4
247.02547	6.0
248.03394	6.5
249.04053	82.0
257.00967	24.4
258.01672	26.3
259.02481	10.3
270.01611	5.2
271.02414	8.9
273.00455	25.0
274.01227	34.9
275.01999	100.0
285.04120	6.3
286.01276	11.1
287.01968	22.1
288.02844	33.7
290.78238	5.4
299.02048	17.5
299.99118	6.3
300.99921	57.3
301.03534	14.9
313.00125	7.6
313.03607	9.1
314.00772	53.7
315.01151	14.8
315.04999	5.4
325.03363	7.9
327.01614	42.7
327.05032	7.8
328.02301	6.5
329.02951	13.1
341.02985	11.1
343.04800	6.9
351.05225	9.3
353.03125	6.7
367.04541	9.8
369.06067	12.1
371.03989	6.7
377.02768	10.2
387.07346	7.1
395.03857	8.4
403.06824	8.2
413.04907	9.5
449.07336	12.2
454.83371	5.6
479.08487	8.7
526.07233	4.9
551.10663	7.0
569.11487	20.6
707.07916	6.9
732.06183	5.2
733.07037	36.8
751.07849	17.8
781.09314	16.9
871.12073	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	915.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.8
69.83518	3.8
69.83899	3.4
71.01389	27.5
72.99316	2.2
73.02966	4.2
80.02683	2.5
81.03462	5.2
83.01396	5.0
83.05025	6.9
85.02966	5.6
87.00883	5.4
89.02444	17.7
91.57881	1.6
95.01442	2.7
95.05025	2.0
96.96011	5.6
97.02958	7.7
97.06580	2.6
99.00875	3.2
101.02444	15.0
109.06599	18.4
110.03731	1.6
111.04533	2.3
111.08186	3.0
113.02464	11.7
116.92848	3.3
119.03522	5.1
123.04538	1.8
125.02448	8.4
125.09757	3.6
135.08154	2.2
137.09749	2.2
143.03510	3.3
161.04523	2.4
163.11290	15.6
165.12860	2.6
169.12410	2.8
171.10338	4.2
179.05627	5.7
181.12294	4.0
185.11931	2.0
191.14381	3.9
197.11848	23.2
207.10268	47.3
207.12132	3.4
208.10596	1.8
209.11839	100.0
211.13428	5.6
221.06618	2.3
225.11314	23.3
227.12888	10.0
235.08208	5.7
245.19116	7.5
263.20065	1.8
264.04767	2.4
273.18945	2.0
273.92068	1.8
287.07706	2.3
289.18069	27.6
291.19589	11.8
293.20984	1.8
305.08554	2.4
307.19165	32.3
309.20731	42.7
338.60846	1.9
348.52380	1.9
379.12619	3.7
397.13522	40.2
415.14554	19.9
605.24915	3.4
623.25208	6.3
799.38910	2.3
897.44836	4.6
915.46185	35.6
916.46796	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	916.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	43.3
73.38187	31.2
79.95747	47.7
80.96526	100.0
88.28239	33.4
96.96080	32.7
99.85705	37.1
120.74661	33.6
158.88098	36.5
171.10199	35.3
184.14917	37.0
225.00763	41.5
249.29591	38.3
344.27557	36.4
359.91971	39.2
450.25357	38.1
471.35175	85.6
614.36615	59.4
916.46680	66.3
917.47961	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	3.6
71.01391	35.2
72.99332	1.9
73.02970	8.0
79.95740	1.6
80.02654	1.5
81.03468	1.8
83.01385	2.7
83.05026	5.9
85.02950	9.9
87.00887	8.1
89.02464	24.1
95.01381	3.1
95.05039	2.4
96.96006	4.3
97.02976	6.1
99.00885	2.7
101.02457	21.3
109.02995	1.8
109.06595	4.6
111.08197	5.1
113.02460	16.4
116.92848	3.2
118.91931	1.5
119.03503	5.9
125.02462	11.6
125.09743	2.4
127.11212	2.3
135.08040	1.8
141.01978	2.5
143.03537	5.1
155.10825	1.9
161.04539	5.9
163.11285	10.4
169.01443	1.8
171.10286	42.2
179.05670	7.7
181.12280	3.6
183.10240	1.8
185.11862	3.9
189.09219	3.6
195.13879	9.0
197.11842	3.1
201.11334	38.8
207.10297	19.4
209.11848	40.5
213.80579	1.6
215.12915	3.3
217.07191	1.7
221.06667	2.0
223.13356	3.8
225.11340	49.1
227.12900	8.1
235.08215	7.1
243.12303	3.8
249.46800	1.7
256.13074	1.6
275.20193	5.9
291.19656	17.8
293.21259	100.0
305.08801	2.5
309.20743	3.5
327.70700	1.5
341.22989	1.6
361.11807	1.7
379.12521	4.7
397.13522	46.1
398.14194	2.6
415.14600	16.4
457.15955	1.8
605.24347	4.8
623.25720	9.5
651.05737	1.7
805.38708	1.7
899.46796	11.7
917.47009	4.5
942.88550	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	917.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93641	3.4
69.93998	2.4
71.01385	70.4
73.02950	7.5
80.96535	2.5
83.01380	3.2
83.05033	2.1
85.02950	8.7
87.00878	5.6
89.02450	18.9
89.02956	2.0
92.74772	1.5
95.01394	3.0
95.05027	1.9
96.96026	3.7
97.02968	3.4
97.06596	1.4
99.00887	3.5
101.02457	14.0
109.06612	5.2
111.08141	1.5
113.02457	9.1
116.92831	2.4
119.03517	5.4
123.04524	1.6
125.02440	7.6
125.09709	2.5
126.90427	5.1
127.11300	4.7
128.90100	1.6
135.08177	2.3
141.01991	2.6
142.55624	1.3
143.03535	3.0
155.10831	2.8
158.33435	1.2
161.04584	3.0
163.11250	6.7
169.95973	1.4
171.10283	29.9
179.05702	3.4
181.12315	3.7
185.11850	2.1
185.94681	1.6
195.13892	8.5
196.14734	1.6
197.11935	1.6
201.11330	23.3
207.10268	16.9
209.11847	18.9
215.12949	2.1
221.06845	1.7
223.13434	5.8
225.11325	30.0
227.12910	3.9
235.08272	4.6
243.12383	4.3
253.09387	2.4
275.20206	7.5
291.19659	11.1
293.21255	100.0
294.21515	1.8
295.56116	1.4
309.20212	1.8
318.40762	1.7
323.09967	1.6
379.12579	2.6
397.13553	32.4
415.14716	12.5
522.22589	1.3
605.24713	3.1
623.25793	5.8
691.36322	2.2
899.46246	7.4
917.47028	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	917.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01829	0.5
69.03444	1.7
71.01388	18.4
72.99300	0.7
73.02618	0.5
73.02945	3.3
74.42617	0.6
75.00887	0.7
80.02674	1.3
81.03464	2.0
83.01382	2.2
83.05036	7.9
84.02169	1.5
85.02941	3.9
87.00891	3.3
89.02452	14.7
93.03446	0.8
95.01417	1.4
96.96023	5.7
97.02966	4.2
97.06589	1.2
99.00875	1.0
101.02455	11.4
109.06598	1.0
111.08170	6.9
113.02454	6.2
116.62624	0.6
119.03496	4.4
122.45706	0.6
125.02464	6.0
125.06161	1.1
127.07661	0.8
131.03555	0.9
132.41269	0.6
135.08107	1.0
137.96254	0.7
141.01917	0.6
143.03487	2.4
161.04596	2.7
163.11298	5.8
165.12820	3.9
169.01361	1.0
169.12335	2.7
171.10309	2.3
175.16283	0.6
179.05666	4.5
181.12331	1.3
191.10788	1.5
197.11844	32.5
199.13432	2.4
201.11380	0.7
207.10165	0.9
209.11848	100.0
210.12198	3.0
211.13396	5.6
221.06664	0.9
225.11336	1.4
227.12914	15.1
235.08240	5.3
247.20648	1.1
253.09265	0.9
263.20163	1.3
273.18616	1.1
275.02182	0.7
287.07703	2.1
291.19690	18.1
292.20224	0.8
293.21252	3.8
301.00104	1.2
305.08765	1.3
309.20740	75.8
310.21017	1.7
323.09918	0.9
357.72641	0.7
379.12613	3.3
385.39078	0.7
397.13538	38.6
398.13956	1.0
415.14542	14.7
501.31699	0.8
510.10156	0.7
595.25690	0.8
607.26202	1.5
689.34668	0.8
707.35522	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.49
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92010	6.4
69.26959	34.6
71.01384	27.1
78.91904	11.5
87.00897	12.4
89.02448	19.8
93.59083	6.8
94.92482	17.3
96.96023	11.1
101.02455	17.5
125.02459	11.3
155.22507	7.6
170.36711	8.0
179.05624	11.4
197.03441	8.2
201.11349	83.6
209.11824	83.0
227.12863	29.2
235.08212	8.8
255.23332	54.5
266.77921	7.9
277.21521	8.7
331.04102	7.2
347.23676	6.9
379.12320	34.4
393.43365	6.6
397.13657	100.0
413.59998	8.5
415.14532	15.1
469.53418	8.1
548.07568	8.7
581.24725	12.1
589.25085	15.7
615.45514	8.1
635.36383	17.8
653.37085	47.2
679.21942	8.0
706.44305	7.9
809.86920	7.9
837.48236	24.6
845.48688	12.8
917.48175	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	1.4
69.94925	1.2
71.01385	25.4
71.05000	1.2
73.02940	4.0
77.15593	1.2
80.02681	1.8
81.03467	3.1
83.01389	2.1
83.05036	8.8
85.02941	5.8
87.00881	4.1
89.02457	13.4
92.72550	1.1
95.01340	2.2
95.05022	5.6
95.75692	1.3
96.95977	2.4
97.02361	1.7
97.02963	26.1
97.06591	3.7
99.00871	1.7
101.02455	14.1
102.39245	1.3
111.04562	1.7
113.02427	5.3
119.03487	3.2
120.22398	1.4
123.08157	3.6
124.01647	1.4
125.02461	7.0
125.09740	3.2
129.42674	1.3
135.08253	1.6
161.02469	1.7
161.04556	2.5
163.11331	8.3
165.12874	3.6
167.26117	1.4
169.01440	2.4
177.12758	1.6
179.05550	1.5
179.14410	2.3
187.11261	1.9
191.10777	1.9
205.12340	5.3
209.11839	80.9
220.84668	1.4
221.06660	3.9
223.13394	68.0
227.12843	5.1
228.81294	1.4
241.63857	1.5
249.11253	2.6
267.12311	5.7
275.02100	2.0
300.99789	3.1
397.13528	6.0
665.26312	2.4
875.39246	100.0
876.39496	6.5
919.38245	59.6
920.38507	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	919.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34840	8.3
71.01393	26.8
82.95411	48.8
89.02459	18.1
96.96023	26.6
98.22707	19.1
101.02435	18.0
109.06610	33.6
113.02450	11.5
125.02497	20.2
163.11331	14.5
186.15367	8.7
201.09703	8.1
201.11322	50.1
207.10281	71.8
209.11859	26.5
212.55487	7.4
225.11278	46.0
227.12865	8.3
235.08307	10.3
255.23341	23.4
277.21808	45.9
305.08737	12.4
332.43204	10.2
379.12454	12.9
397.13507	99.7
415.14539	22.5
587.23273	8.0
605.25110	14.0
623.25983	13.5
747.67426	9.5
883.47278	100.0
919.46661	52.0
924.49091	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	919.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37281	36.9
71.01384	35.3
75.62070	6.6
80.96536	8.3
81.78020	6.4
82.95403	17.9
85.00475	9.5
85.02941	8.2
86.53972	7.4
87.00892	10.5
88.98846	11.2
89.02447	25.9
96.96009	20.8
101.02448	17.5
108.87580	7.4
109.06562	17.7
112.15343	7.6
112.35567	7.8
113.02435	9.8
128.14209	7.0
142.68184	6.8
163.11317	10.3
176.88638	7.2
179.05907	8.3
201.11319	36.3
207.10242	99.7
209.11807	28.0
225.11349	28.7
250.63928	7.5
251.31345	7.9
255.23349	22.8
277.21722	53.3
379.12274	11.0
385.92215	7.7
397.13449	95.6
415.14450	18.9
451.70352	8.3
605.24573	11.1
624.52905	9.0
653.37830	9.4
675.35437	15.6
883.47314	100.0
919.45734	48.8
927.69238	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	921.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	14.1
73.02923	1.9
82.95415	11.3
83.01344	1.3
83.05032	3.5
84.21448	1.6
85.00433	10.1
85.02982	2.2
87.00895	3.5
89.01962	1.7
89.02435	9.6
97.02954	2.4
99.92567	2.0
101.02468	12.1
113.02450	7.2
116.92872	17.9
119.03532	3.5
125.02461	5.3
127.30557	1.7
143.03459	1.9
157.97534	1.5
161.04584	3.1
163.11275	2.4
171.10156	1.8
179.05621	5.2
207.10204	2.4
209.11848	100.0
210.12238	1.9
214.16508	1.5
217.07027	2.3
225.11243	1.9
227.12903	28.6
235.08257	5.5
253.09276	3.3
256.19254	1.6
277.18716	3.0
277.21759	55.3
287.07797	2.8
305.08826	3.6
323.09744	1.7
379.12561	15.2
397.13516	74.5
415.14575	15.3
561.17004	1.6
589.25165	6.5
607.26166	5.9
657.35059	5.5
675.35992	7.8
867.47449	4.7
921.46289	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29824	6.2
69.30230	3.9
71.01389	14.7
82.95430	19.2
83.01409	2.1
83.05032	2.2
85.00452	2.7
85.02978	1.7
87.00922	3.8
89.02457	10.4
92.47466	1.7
93.95478	1.7
96.96049	2.9
97.03011	3.7
98.22638	3.1
101.02466	8.2
113.02466	6.1
116.92863	10.6
119.03521	3.3
124.45580	2.0
125.02460	3.5
143.03511	3.0
161.04553	2.2
163.11342	4.4
165.12917	2.4
179.05658	5.2
197.11818	2.5
207.10297	2.3
209.11838	100.0
210.12321	2.7
225.11288	4.1
227.12929	28.4
235.08313	3.2
253.09254	3.6
277.21747	48.1
287.07697	2.7
289.17996	4.2
293.20947	2.0
379.12573	11.8
397.13510	55.9
415.14655	9.6
589.25208	6.1
607.25940	7.1
657.35834	2.9
670.79297	2.1
675.35968	4.8
921.46246	26.9
922.46960	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	923.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40195	4.6
83.74821	1.1
91.80516	1.2
95.01391	2.3
105.03500	1.1
107.01384	2.3
110.37408	1.1
117.03475	1.1
121.36591	1.2
123.00912	5.8
124.01659	2.8
125.02457	18.2
129.03455	1.9
131.05040	2.3
133.02910	2.1
135.04533	1.3
137.02469	1.8
143.05046	1.4
145.02968	4.5
145.51001	1.1
147.04498	3.7
157.02965	2.5
159.04506	4.8
160.01627	1.4
161.02481	7.3
163.04027	1.7
169.01463	19.0
169.02824	2.3
171.04617	1.7
173.02451	4.6
174.03163	2.2
175.04047	7.8
177.01892	3.6
179.03537	2.4
183.04538	1.2
185.02457	5.3
187.04002	5.9
188.01045	1.6
189.01985	7.8
190.02766	3.8
191.03564	6.5
199.03964	2.6
200.01202	1.3
201.01959	6.7
202.02727	4.0
203.03520	14.0
205.01434	1.7
213.01903	3.0
214.02654	2.1
214.99985	1.5
215.03497	11.7
217.01460	5.4
217.04906	2.6
219.02959	3.2
221.04521	1.7
227.03546	1.5
229.01448	12.1
229.05016	2.1
230.02246	3.1
231.02991	13.7
241.01465	5.5
241.03560	1.9
243.03004	11.5
245.00902	6.6
245.04620	2.4
247.02498	4.0
248.03171	1.5
249.04053	41.0
250.04446	1.2
253.04990	1.5
257.00897	7.5
258.01709	3.5
259.02487	22.2
259.99579	2.0
261.00391	10.0
261.03870	1.5
263.01944	1.7
265.05072	1.6
271.04648	5.7
273.00424	4.6
273.04144	2.5
274.01044	2.2
275.02014	43.4
276.02368	2.1
283.99619	2.2
287.02100	2.1
288.99893	9.8
291.01453	4.8
299.05423	1.9
299.99158	4.1
300.99936	100.0
302.00336	2.9
309.04044	3.1
312.99988	15.2
319.00854	2.6
322.81183	1.1
353.03061	2.6
379.06689	5.0
531.07776	7.8
549.09546	1.3
573.05383	6.4
585.05249	2.4
768.81384	1.2
820.79352	1.2
851.09308	1.6
905.07306	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	923.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17516	12.3
71.01024	2.6
71.01394	42.5
73.02949	19.3
79.93185	1.8
83.01394	10.4
85.02953	26.7
87.00887	2.0
89.02473	9.7
95.01398	4.4
96.96022	5.4
97.02917	2.0
98.22638	2.8
99.00900	5.2
101.02447	35.7
111.00897	2.2
112.96595	1.8
113.02466	18.5
117.96809	1.8
119.03521	3.5
125.02454	2.0
129.02034	2.4
143.03506	2.9
159.03036	4.1
161.04597	12.9
173.08263	1.7
195.29713	2.0
214.20470	1.9
336.11884	2.0
375.23892	53.4
417.24966	100.0
561.42242	1.9
902.18872	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	923.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90970	0.6
69.53339	1.9
71.01387	34.5
72.76926	0.7
72.99316	1.1
78.86050	0.5
81.07102	1.7
83.01395	1.4
85.02952	5.9
87.00890	2.1
89.02454	42.7
89.58997	0.6
95.01415	1.8
96.96024	0.8
98.03723	0.8
99.04530	6.8
100.19204	0.6
101.01797	1.0
101.02454	18.5
105.07124	0.7
111.04524	1.1
113.02463	15.5
117.56108	0.5
118.63592	0.6
119.03510	19.9
124.01633	0.7
125.02461	1.8
131.03505	2.5
134.79364	0.6
143.03493	5.6
149.04533	1.4
160.41328	0.6
161.04568	6.0
161.13374	17.9
169.01448	1.4
179.00200	0.6
179.05623	24.2
187.11293	2.4
191.03368	0.6
205.12347	41.6
211.02631	0.8
249.11330	66.0
250.11711	1.5
271.04684	0.7
297.97507	1.3
300.99939	1.1
306.08810	0.6
311.50226	0.6
312.99954	2.0
328.02246	2.0
385.18741	6.3
429.17664	100.0
430.18121	2.1
461.07379	4.5
731.62933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39710	90.7
69.95422	77.7
100.87652	80.7
134.48799	86.4
462.53622	100.0
894.55566	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
82.97610	0.8
89.03974	0.9
93.03453	3.6
95.05064	1.0
98.96870	0.9
105.03499	1.2
107.82520	0.6
108.02161	1.9
113.27583	0.7
117.03452	2.3
119.05055	2.5
121.02963	6.2
122.03775	12.1
123.04532	1.7
132.02194	7.9
133.02975	12.3
134.03757	100.0
135.04555	16.0
136.01712	6.3
137.02452	5.7
139.04005	1.5
145.03012	1.3
146.03746	1.2
147.04526	2.9
148.05333	6.0
149.02466	14.3
149.06107	19.8
150.03238	58.8
151.04027	4.9
160.01674	24.5
161.02486	5.0
161.06082	1.4
162.03229	4.6
163.04031	1.9
165.05585	37.7
166.05891	0.8
175.04021	32.3
176.04410	0.9
177.05574	2.0
178.02733	26.2
179.03520	12.2
180.04301	2.9
181.05061	1.3
192.04370	0.9
193.05077	61.0
195.06650	12.8
207.06703	2.5
247.06175	0.9
282.09058	1.6
293.69244	0.7
298.16220	0.8
309.11224	0.8
325.69138	0.7
327.12476	1.4
341.10373	2.3
342.11105	8.9
343.11874	2.8
353.10364	1.6
356.12643	2.5
357.13528	13.3
371.11261	1.9
383.14578	1.2
389.12613	1.0
397.12900	2.1
463.20041	0.7
503.17059	7.3
505.18756	2.1
517.18896	2.7
535.19922	1.9
553.20648	6.7
711.24957	1.5
729.25598	89.7
730.25903	7.1
783.27240	1.6
877.31128	4.6
925.33282	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	925.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53906	1.2
70.44278	1.3
70.97240	1.9
75.07442	1.4
81.34213	1.4
89.03967	1.8
93.03470	4.1
105.03482	2.7
108.02183	5.4
117.03479	4.6
119.05054	1.8
121.02953	8.7
122.03764	16.2
123.04572	3.3
132.02185	19.0
133.02962	19.7
134.03758	100.0
135.04543	20.9
136.01677	14.3
137.02492	7.6
145.02977	1.9
147.04539	5.8
148.05325	7.9
149.02441	19.3
149.06085	15.8
150.03242	87.9
151.04068	12.9
159.04575	1.9
160.01678	58.7
160.05353	2.6
161.02454	12.6
162.03238	5.4
164.04784	4.0
165.05583	58.0
166.06136	1.7
175.04016	74.1
176.04404	1.9
176.54073	1.5
177.02020	1.5
178.02737	23.1
179.03522	18.6
180.04300	6.6
181.05083	1.9
192.04320	3.1
193.05072	63.8
194.05437	1.6
195.06671	12.3
207.06635	5.6
294.08759	1.4
303.50711	1.6
342.11194	12.0
343.11835	5.4
356.12595	3.3
357.09607	2.4
357.13504	23.3
368.12830	3.9
369.80539	1.6
383.14627	1.8
420.48434	1.4
460.86267	1.7
503.17203	3.3
519.16589	3.9
549.17767	2.0
553.20642	3.6
567.19275	3.3
729.25513	30.6
730.25848	2.3
731.26837	4.2
740.12744	1.5
749.28088	6.5
783.26355	8.2
877.30603	16.7
878.31128	1.7
889.31049	3.2
907.31915	20.5
925.32837	34.1
926.33563	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	925.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89627	2.1
74.96350	1.2
89.03961	2.4
91.01884	2.2
108.02171	3.9
108.73669	1.2
109.02955	3.2
111.00877	1.9
117.03468	4.5
121.02965	3.2
123.04521	5.6
132.02208	8.4
133.02992	2.8
134.03757	76.9
135.04520	3.6
136.01680	26.8
137.02504	7.0
139.04015	1.7
145.02982	1.8
146.03735	3.7
147.04518	4.1
149.06104	18.4
150.03233	3.1
151.04018	13.4
158.03755	12.3
159.04521	13.3
160.01677	24.8
160.05327	4.8
161.02461	2.2
161.06030	1.9
162.03198	2.2
166.06355	10.8
173.06094	4.2
174.03206	1.5
175.04025	26.2
175.07739	1.3
176.04834	2.7
177.05534	2.8
178.02745	22.8
179.03322	1.5
181.08647	2.3
192.04259	2.0
193.05074	72.6
202.75676	1.5
213.42488	1.4
217.05072	1.4
242.05850	1.9
257.08267	2.8
266.05826	2.7
267.06628	4.5
279.06625	2.1
281.08157	7.1
282.08948	4.9
297.11371	4.0
327.12439	6.6
336.06461	1.7
341.10132	2.7
353.10153	4.5
371.11380	10.9
372.11700	1.2
483.00067	1.5
553.20819	100.0
554.21069	4.5
649.23138	2.0
771.26459	5.3
907.31842	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	926.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50269	4.9
71.01384	22.4
72.95566	3.1
73.02955	4.7
83.01405	3.7
85.02950	4.3
87.00896	5.8
88.98826	11.6
89.02445	20.7
97.02979	9.2
98.92876	3.0
101.02465	16.4
103.01501	9.6
109.06591	29.8
113.02470	12.6
119.03541	6.3
124.81898	3.2
125.02441	7.5
139.07375	2.9
142.49698	3.4
161.04572	4.1
163.11343	17.4
179.05588	3.4
181.12364	4.8
181.83966	3.8
198.82715	3.6
207.10280	100.0
207.12146	6.9
209.11810	3.8
225.11331	47.1
235.08360	4.3
243.12317	4.5
277.21704	58.9
287.07806	4.2
379.12537	8.8
397.13513	64.5
413.05154	3.4
415.14563	18.1
458.01566	3.2
554.06390	3.3
605.24323	10.3
612.84448	3.6
623.25616	13.9
669.69171	3.8
848.13171	4.1
883.47095	83.2
884.47809	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	926.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93714	25.9
69.35056	100.0
69.35452	41.3
71.49384	23.1
78.00222	22.7
98.22675	29.7
103.01514	47.6
232.72176	24.2
234.65556	24.5
261.58389	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	927.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	0.3
69.03445	0.3
69.17112	1.4
71.01392	1.5
73.02953	0.3
75.00876	0.7
79.01901	0.6
82.00623	0.3
83.01383	0.5
85.02970	1.3
87.00877	0.3
89.02458	0.6
91.05551	0.7
95.01387	1.2
97.02970	0.5
99.00912	0.4
101.02439	0.6
107.01409	2.3
107.34066	0.2
111.00897	0.9
113.02448	1.3
123.00897	9.2
124.01676	5.6
125.02454	9.0
127.00340	0.3
135.04546	0.2
136.98799	0.4
139.00383	1.5
139.07687	0.3
140.01146	1.2
141.01927	1.4
149.02461	0.2
151.00378	5.5
151.04037	0.2
153.01930	0.4
155.10747	0.7
163.04088	0.2
168.00632	1.3
169.01436	10.1
175.49066	0.2
177.04031	0.2
195.05481	0.2
200.38249	0.2
211.02478	0.8
219.10307	0.4
227.16521	0.2
249.06174	0.8
267.07208	2.0
271.04645	1.0
291.08401	0.2
299.99167	0.4
300.99945	0.3
313.05661	1.2
383.13571	0.5
385.11392	3.4
386.11508	0.4
433.03818	0.3
541.22919	100.0
542.23273	3.7
918.36914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	9.1
83.05016	2.6
87.00882	30.3
89.02466	2.4
96.96037	2.5
98.22684	3.8
98.69722	2.1
101.02420	2.6
109.02907	2.6
113.02464	3.1
117.75223	1.9
119.05000	2.6
121.02954	3.9
123.04523	16.4
125.02379	2.3
125.09724	3.2
130.99931	2.5
135.04561	15.8
135.59560	1.8
137.02454	2.6
145.02959	6.0
146.03717	6.5
147.04533	9.1
149.02486	2.1
149.06073	8.7
150.03241	4.0
151.03969	2.5
159.04517	12.9
160.05327	3.0
161.02460	3.1
161.06085	19.2
162.03247	19.6
163.04031	21.7
164.04826	6.1
171.04555	2.5
172.05428	2.6
174.03180	5.5
175.04013	5.2
176.04758	3.4
177.05635	10.1
177.06931	1.9
184.40276	1.9
184.96043	1.7
185.06174	2.1
185.11850	7.5
186.07008	1.9
187.04036	8.2
187.07668	2.2
188.04773	10.7
188.45433	2.1
189.05582	7.9
190.06361	1.9
191.03508	3.8
193.05101	2.7
195.06491	2.1
201.05611	3.6
203.03703	2.3
205.05060	2.7
207.10173	1.8
209.11858	35.2
229.05080	3.7
269.15579	2.3
275.02036	2.0
295.13531	3.5
300.99783	4.4
313.14508	13.1
315.15994	4.8
325.14542	2.1
331.15512	4.8
339.16129	4.3
341.14230	2.6
846.25970	2.0
909.37714	4.1
927.38715	100.0
928.38312	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	927.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	2.0
69.20477	7.6
71.01387	4.5
72.99313	20.9
83.05040	3.1
85.02924	2.2
87.00885	12.2
88.98810	5.2
89.02449	2.1
100.98820	2.6
101.02446	3.2
103.15295	1.2
108.02187	1.3
121.03027	3.2
121.28448	1.3
122.03742	3.3
123.04523	3.5
125.02467	1.5
135.04576	1.6
137.02507	1.4
140.17796	1.4
146.03790	9.6
146.99429	2.2
147.04506	4.6
149.02478	1.6
149.06059	2.0
150.03230	2.9
151.04041	1.5
159.04526	4.5
160.05411	2.0
161.02472	1.5
161.06082	3.1
162.03271	2.6
162.06839	1.4
163.04016	2.3
165.05617	3.2
169.01450	3.5
172.05309	3.7
173.06110	2.4
174.03244	4.3
175.04060	8.8
176.04819	6.4
183.59160	1.2
186.88031	1.4
187.04071	5.2
188.04816	6.6
189.01912	1.3
189.05600	2.9
190.06314	12.4
195.06650	1.8
200.04868	6.3
201.05598	2.5
209.11856	23.2
211.13432	4.4
226.06485	1.5
227.12891	2.4
253.09407	1.9
255.05063	3.2
255.13983	1.5
259.13464	2.9
270.03702	3.1
271.13501	11.5
283.13376	7.2
285.14963	2.9
287.12891	1.7
287.16403	2.4
289.14438	3.1
297.15085	3.1
299.12927	5.0
300.99945	4.1
301.14380	9.2
311.12885	3.0
313.14471	6.1
315.16037	27.0
317.14053	1.6
325.14584	8.7
327.16010	2.4
329.13937	5.3
333.17065	4.4
337.14590	2.9
343.15506	6.7
355.15698	4.0
357.17130	3.7
436.53094	1.2
441.17569	6.0
641.18408	1.4
765.36780	1.9
819.37982	1.7
821.38190	1.7
837.38794	6.4
851.37885	1.6
853.38721	2.7
886.71442	1.4
909.37793	5.0
927.38770	100.0
928.39587	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	929.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44732	2.9
79.64041	0.5
96.96037	0.8
98.22666	1.0
107.01421	0.7
123.00918	1.7
124.01645	0.7
125.02470	5.5
133.01459	2.9
133.02989	1.2
140.45712	0.6
145.03006	1.0
147.04568	0.8
157.02962	1.2
159.04539	1.5
163.03922	0.8
164.14967	0.6
168.00616	0.7
169.01443	6.5
173.02454	2.2
175.04018	2.2
177.02043	1.1
179.03546	1.1
185.02470	2.3
187.04047	0.8
189.01872	0.6
191.03529	1.7
201.01993	3.4
203.03494	6.3
211.02530	1.7
213.01950	1.8
216.56255	0.6
219.03015	1.5
229.01428	10.4
231.02995	4.2
245.00925	1.4
247.02504	1.6
249.04117	3.6
257.00992	8.8
258.01630	3.3
273.00320	0.9
275.01999	44.6
276.02243	1.2
277.19128	0.7
283.99622	1.7
299.99026	1.0
300.99924	71.0
302.00327	1.8
313.05637	1.6
527.13739	0.6
633.07385	100.0
634.08093	2.9
635.08533	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	929.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14465	3.6
72.98045	0.6
89.27843	0.6
96.96072	0.6
97.91109	0.6
122.45251	0.7
125.02398	0.6
151.28380	0.6
169.01324	0.6
172.01535	0.8
200.01099	1.2
216.00626	1.8
242.07893	0.6
242.99352	1.1
244.00003	1.4
271.99823	0.7
299.99130	88.2
300.99878	25.8
302.00259	0.8
433.04138	100.0
434.04700	3.0
476.45023	0.7
832.12878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39645	1.0
69.03452	1.8
69.12389	6.8
71.01388	4.6
73.02966	1.6
83.01372	1.6
87.00890	24.1
89.02433	2.5
95.04997	1.3
96.95995	1.4
98.21951	2.4
101.02448	4.8
109.02998	1.3
113.02433	2.2
116.92855	1.7
121.02921	2.7
122.03749	4.6
125.02459	1.8
127.11288	1.4
130.99872	7.9
135.04512	2.5
137.09752	1.3
146.03748	6.9
147.04535	6.1
148.05310	2.0
149.02458	2.7
150.03212	6.6
155.10895	1.5
159.04504	3.0
160.05313	2.0
161.06116	3.6
162.03258	1.1
162.06822	2.4
163.03972	1.5
163.11334	1.4
164.04828	1.7
165.05589	3.7
169.01421	2.0
169.74750	1.4
172.05295	4.1
173.06091	3.4
174.03214	3.2
174.06894	1.4
175.04004	9.4
175.07718	1.3
186.06802	3.2
187.03996	3.9
188.04813	4.5
189.05571	4.0
190.06412	19.5
192.04274	2.2
193.56403	1.4
195.06541	2.5
199.09740	1.1
200.04765	6.9
201.05559	1.8
201.11337	15.9
209.11833	13.9
211.13406	8.0
215.07080	2.4
216.08078	1.3
235.21309	1.1
249.38028	1.3
254.04407	1.4
258.67966	1.2
259.13437	1.3
269.15494	1.4
271.13434	11.2
273.00974	1.3
275.01923	1.2
283.13257	1.4
285.14743	1.5
287.16461	1.4
289.14465	4.5
297.15054	8.7
299.12958	3.0
300.99881	2.1
301.14572	1.6
313.14594	3.4
315.16019	50.6
317.13901	1.5
323.16599	2.9
325.14429	15.8
333.17139	10.9
339.15967	1.7
341.13867	2.0
341.17523	5.4
343.15445	8.4
357.17020	3.1
367.15259	2.5
373.12604	1.3
407.06052	3.2
439.01544	1.1
528.65784	1.3
667.48743	1.6
869.38379	1.6
885.37390	2.0
911.38843	13.3
929.40259	100.0
930.40582	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	931.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17104	15.4
71.01385	28.6
83.01393	8.6
84.33940	2.0
85.02951	9.6
87.00881	5.7
89.02444	22.0
95.01392	3.1
98.22626	3.9
99.00848	3.1
100.04370	2.4
101.02460	17.5
113.02435	8.2
119.03498	7.0
121.02988	4.7
125.02435	6.2
135.04614	2.9
136.01672	71.7
149.02423	2.2
149.06049	3.9
150.03203	4.9
151.04015	100.0
161.04602	4.5
161.06081	4.5
161.13364	9.3
165.05582	3.2
169.01443	3.7
175.03976	3.1
175.07639	2.7
187.11256	31.6
205.12329	9.5
209.11815	4.6
229.12390	4.5
231.06165	2.6
231.10165	4.7
249.03897	3.0
249.11346	10.3
300.99896	7.1
327.12320	11.2
342.11111	4.9
349.16614	5.7
357.13440	92.8
385.15359	2.5
393.15778	11.6
519.17981	3.1
536.03253	2.8
743.22864	2.3
750.42938	2.8
751.29828	66.1
752.30084	3.7
752.58887	3.3
931.36383	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	931.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74651	5.0
69.03441	6.5
71.01391	78.3
72.99328	6.1
73.02944	7.9
83.05048	7.4
85.02950	18.4
89.02444	21.3
96.96050	7.9
97.02948	12.3
101.02448	24.8
111.04539	21.9
113.02428	19.3
119.03490	10.2
125.02462	15.3
125.09689	8.2
130.38573	5.7
161.09697	9.9
165.12875	7.6
171.10278	38.7
179.10805	20.2
193.66899	6.3
197.11795	19.5
205.08748	14.9
207.10233	6.5
209.11842	30.9
213.11334	9.2
223.09755	63.2
225.11273	10.7
235.08286	5.5
291.19708	43.8
309.20764	100.0
397.13565	55.7
415.14633	22.1
421.37030	6.0
440.53091	6.5
700.83118	7.0
707.34973	7.9
848.74390	7.1
869.17432	7.2
885.45966	6.6
913.43970	26.4
931.45557	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02418	15.7
91.83029	13.0
117.32928	15.5
122.40568	13.7
135.35049	14.8
143.68422	15.4
191.76700	15.3
209.11829	100.0
227.12958	37.0
255.23265	47.3
255.72621	16.1
379.12524	32.6
395.46408	20.3
397.13724	74.0
729.42377	21.1
931.50476	57.9
968.92639	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	931.505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93748	41.1
71.01385	22.8
87.32374	14.9
91.43964	16.6
96.56509	16.2
101.02460	20.3
125.02460	16.2
146.53720	13.2
209.11879	100.0
227.12885	41.4
255.23335	44.0
277.13004	16.2
379.12540	29.4
397.13599	67.6
421.11578	13.4
455.35532	20.0
527.95020	17.4
635.36212	17.6
931.50421	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	1.5
67.61860	1.2
69.35473	2.8
69.35866	5.8
69.70528	1.3
87.00900	1.4
95.01407	3.1
95.92007	1.3
107.01405	1.7
109.92249	1.1
111.00905	2.1
113.02470	1.3
119.01373	1.4
119.05143	2.1
123.00897	3.5
125.02467	4.7
139.00383	5.5
145.03003	4.5
147.04543	2.6
149.02426	1.7
151.00339	1.7
157.02974	3.6
159.04568	2.5
161.02457	3.0
163.04010	5.5
164.01091	1.5
164.98286	4.2
169.01366	2.5
171.00879	1.3
172.01770	1.5
173.02454	5.8
175.04056	3.7
177.01927	1.8
185.02420	7.5
189.02019	5.9
190.02725	2.0
191.03493	6.5
199.00375	2.9
200.01285	2.1
201.01953	8.1
203.03503	9.8
213.01984	6.0
215.03477	2.7
217.01468	5.8
219.02985	2.3
226.99905	5.4
229.01454	20.6
231.03047	10.9
238.82570	1.3
239.03297	1.7
242.99440	3.1
245.00851	8.6
247.02531	3.6
249.04129	6.0
254.99358	4.2
257.00934	18.2
258.01642	4.3
259.02652	6.4
259.99786	1.6
261.00388	6.9
270.98862	4.8
271.02463	1.3
273.00494	7.3
274.01270	2.3
275.01996	46.7
279.02954	2.0
282.98935	3.3
283.99686	5.4
285.00409	14.7
293.00854	1.5
295.02426	2.4
297.03973	1.6
298.98459	8.3
299.01474	2.3
299.99261	7.1
300.99939	100.0
302.00406	2.2
307.02661	2.4
310.98425	3.9
323.01974	4.1
325.03677	3.9
328.41901	1.6
335.02112	2.1
339.01398	2.0
351.01541	6.9
353.02966	2.0
379.01175	3.5
381.02399	3.1
407.00641	2.2
425.01849	3.3
433.04196	2.8
450.99442	47.4
451.99997	2.0
454.11703	1.4
481.06323	7.6
504.52087	1.7
541.22589	6.8
613.04730	1.5
631.05548	6.5
688.82697	1.4
933.06665	45.8
934.07129	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	933.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44430	2.2
69.44839	3.3
71.01418	1.1
77.48077	1.0
95.01406	2.3
101.03977	1.3
110.30978	1.2
111.00890	3.5
117.03477	2.3
119.05048	1.7
123.00895	3.7
125.02466	2.9
129.03435	1.5
132.48227	1.1
135.04599	1.1
139.00371	4.1
139.85291	1.0
141.02005	1.3
145.02937	6.1
146.39388	1.1
147.00821	1.1
147.04535	2.7
149.02390	1.1
157.02966	2.9
159.04456	1.3
161.02460	2.5
163.02664	1.0
163.04027	4.8
164.98271	1.2
165.01901	1.2
169.01472	2.0
171.00896	2.5
173.02441	8.0
175.04054	2.9
177.01985	2.5
185.02419	6.7
187.00378	1.3
189.01881	4.1
190.02699	1.8
191.03525	3.1
199.00389	1.8
200.01167	2.2
201.01982	11.6
203.03520	6.5
205.01437	1.4
211.04126	1.5
213.01918	3.1
214.99866	1.6
215.03532	2.0
217.01413	4.3
219.02901	2.7
223.04013	2.0
226.99860	4.6
229.01445	17.1
230.01949	1.5
231.02965	5.2
237.02011	1.4
239.03679	1.4
241.01324	1.7
242.99243	1.9
244.00154	1.3
245.00940	9.2
247.02521	3.9
249.04062	2.8
254.99364	2.3
257.00955	12.8
258.01697	4.6
259.02405	3.6
261.00421	3.4
265.01297	1.3
267.03015	2.3
270.98871	5.8
271.99631	1.2
273.00375	6.8
274.01010	2.0
275.02002	33.2
276.02319	1.5
279.02899	2.4
283.99582	4.3
285.00516	9.3
290.45459	1.1
293.00977	3.1
295.02576	1.6
297.00220	1.1
298.98312	8.9
299.01553	2.3
299.99222	8.8
300.99936	86.4
302.00159	4.3
305.37939	1.0
311.01721	1.1
321.00638	1.6
323.01965	2.8
326.97791	2.5
339.01550	2.6
348.99936	2.3
351.01358	3.1
353.02911	1.5
367.00934	1.5
376.99417	5.4
379.00891	3.9
381.02560	1.8
399.03574	2.1
404.98837	3.4
407.00436	2.7
423.00491	1.3
425.01584	12.4
450.99466	100.0
451.99673	3.8
481.06244	11.5
592.36517	1.1
613.04657	1.4
631.05670	3.7
915.05005	1.3
933.06628	31.4
934.07013	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	933.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25219	3.5
69.25627	4.1
95.01398	2.3
97.74880	1.3
111.00887	2.7
124.00188	1.5
125.02451	1.9
133.02945	1.9
139.00415	2.7
143.01474	1.8
145.02959	5.0
147.04553	3.7
157.02936	3.5
159.04515	2.4
161.02493	2.4
163.00360	2.7
163.04089	2.4
169.01373	2.2
171.00859	1.5
173.02422	6.6
185.02408	3.6
187.04056	1.9
189.01962	2.9
191.03596	3.4
201.01924	8.2
203.03545	4.5
213.02013	1.5
217.01385	2.8
219.02934	2.0
226.99861	3.6
229.01413	13.0
231.02908	3.5
242.99126	1.7
245.00888	6.0
251.03497	1.8
254.99310	2.2
256.48776	1.5
257.00916	12.3
258.01630	3.1
259.02429	3.3
261.00269	2.8
270.98889	2.5
273.00488	8.5
274.01337	1.9
275.01987	35.6
279.02991	2.3
283.99478	3.4
284.46918	1.4
285.00397	9.0
293.01074	2.1
298.98370	5.0
299.99069	4.6
300.99927	70.2
349.00085	2.0
350.00415	1.5
351.01471	3.1
376.99374	5.2
381.02252	2.6
387.63901	1.5
404.98862	4.2
407.00494	3.0
425.01520	10.4
450.99454	100.0
451.99564	4.1
481.06381	11.3
631.05615	4.3
933.06543	32.6
934.06110	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	933.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25218	0.9
69.58628	3.7
76.40715	0.8
78.54902	0.8
85.41721	0.9
90.38153	0.9
94.30057	0.8
95.01374	1.9
111.00902	2.5
114.61853	0.8
117.03497	0.9
119.05066	1.0
123.00916	3.6
125.02415	1.4
133.02927	1.4
137.02460	1.2
139.00398	2.7
145.02992	4.2
145.16269	0.8
147.04530	3.3
149.02495	1.5
157.02954	1.9
161.02428	2.3
163.00418	1.6
163.04001	3.1
164.98224	0.9
167.05118	1.2
171.00920	1.2
173.02454	5.6
175.04015	1.7
177.01944	1.7
179.78786	0.8
185.02449	4.8
187.03992	1.4
189.01868	2.3
190.02753	1.0
191.03548	3.0
191.49837	0.9
195.04527	1.0
199.00429	2.1
201.01958	6.0
203.03532	5.3
205.01485	0.8
211.04048	1.2
213.01955	3.4
215.03429	1.3
217.01387	3.2
219.02991	2.1
226.02603	1.2
226.99854	3.1
228.00627	1.4
229.01430	16.4
230.01945	1.0
231.02988	3.9
237.01831	1.0
241.01370	1.4
245.00830	5.4
247.02501	2.8
249.04047	4.0
251.03560	1.3
254.99324	1.6
257.00943	10.9
258.01608	3.0
259.02509	2.7
261.00455	1.5
267.03027	1.8
270.98862	5.9
273.00299	4.4
274.00983	1.0
275.01999	30.7
277.01367	1.7
279.02966	1.7
283.99661	4.6
285.00421	8.2
293.00906	2.7
297.04074	1.4
298.98404	5.9
299.99173	4.5
300.99915	74.7
302.00253	1.7
305.00821	1.3
307.02444	1.6
310.98477	1.4
311.01913	1.0
319.01031	1.2
321.00449	1.9
323.01855	1.9
326.97928	1.5
335.01859	1.6
339.01355	1.5
341.02945	1.2
348.99973	2.1
351.01724	4.5
353.03259	1.3
367.01083	1.3
376.99551	4.8
379.00781	2.8
381.02377	1.5
395.00140	1.4
399.03439	1.1
404.99100	2.9
407.00485	2.0
425.01523	11.6
433.31171	1.0
433.98871	1.2
450.99432	100.0
451.99673	2.7
481.06168	9.2
571.03131	1.0
613.04749	3.1
631.05774	7.6
933.06519	30.3
934.06299	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	933.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	4.2
70.96963	3.0
71.01389	86.9
71.04995	2.0
73.02944	12.1
73.59872	2.2
77.67680	2.1
77.85289	1.7
81.03474	4.7
83.01405	5.8
83.05041	6.1
85.02967	14.8
87.00896	13.1
87.06861	2.5
89.02451	34.3
95.01404	4.6
95.05029	5.1
96.96014	18.4
97.02956	17.6
97.06616	2.7
97.25259	2.3
97.70983	2.2
99.00886	4.4
101.02457	35.8
109.06625	10.7
111.00971	2.3
111.08181	4.1
112.10440	1.9
113.02443	17.4
119.03503	13.2
123.04561	3.8
125.02459	19.8
125.09743	9.9
127.11259	3.3
131.03560	3.7
137.09740	5.1
139.04080	2.0
139.07722	3.7
141.37108	2.1
143.03537	5.3
151.11287	4.0
155.10733	3.9
161.04568	8.0
161.09789	2.7
163.11295	15.3
165.09247	3.6
165.12837	9.0
169.12306	3.2
171.10287	65.3
179.05608	12.8
179.10796	3.6
181.12395	7.9
183.10373	3.3
185.11880	10.6
189.09196	4.2
197.11824	22.1
201.11334	52.4
207.10242	32.7
209.11842	63.0
209.13728	4.6
211.13417	11.2
215.12900	5.1
221.06674	7.3
225.11343	73.2
227.12932	11.3
227.14806	2.1
229.01527	2.7
235.08154	11.4
243.12392	5.8
245.19127	4.8
247.20906	2.2
253.09395	3.8
263.20160	2.9
289.18170	9.6
291.19669	40.7
293.21136	4.3
301.00165	4.7
305.08777	3.4
307.19193	10.4
309.20734	100.0
323.09882	2.4
341.23340	9.1
379.12482	7.6
397.13504	62.8
415.14606	25.4
439.14752	3.3
447.66296	2.1
569.24182	3.2
605.24475	6.5
623.25818	12.1
641.26770	4.0
707.34772	2.6
714.88257	2.3
904.94250	2.3
907.67029	2.6
915.46161	12.7
933.46118	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	933.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.9
71.01383	16.0
71.05025	0.8
73.02945	3.8
77.38914	0.7
79.41590	0.7
80.02696	1.4
81.03456	2.7
83.01387	1.7
83.05039	7.0
85.02937	3.7
85.35344	0.7
87.00880	3.6
89.02451	11.3
95.01395	1.2
95.05016	1.6
96.96030	2.5
97.02959	2.6
97.06583	2.0
99.04540	0.8
101.02444	10.7
109.06583	1.4
110.03741	1.0
113.02481	6.2
119.03528	4.2
123.08094	0.9
125.02459	4.4
125.06078	0.9
125.09729	2.7
127.07716	1.0
131.03558	0.9
135.08131	1.9
141.09377	0.7
143.03500	1.7
153.09219	5.7
155.10669	0.9
161.04594	2.0
163.11269	5.7
165.12871	3.4
171.10281	13.8
178.09984	1.4
179.05582	3.8
181.12344	1.1
185.11786	2.4
191.10828	1.3
191.14323	1.0
197.11855	3.3
207.10268	1.9
209.11842	100.0
210.12257	1.0
211.13470	1.5
221.06566	1.8
225.11374	1.5
227.12895	13.6
235.08252	3.1
238.12132	1.5
245.19104	1.3
289.18118	5.9
297.20810	1.2
300.99872	1.3
305.08734	0.9
307.19196	37.2
323.10019	1.0
325.20218	22.3
327.21722	2.5
345.20230	0.9
379.12387	2.7
386.18036	0.8
397.13565	26.9
415.14557	7.3
553.48926	1.0
589.24725	1.0
607.26093	1.6
687.32794	3.6
705.33496	7.0
723.33905	1.0
776.28284	0.8
846.39441	1.7
870.24658	0.9
897.44843	4.2
915.45892	6.2
933.46765	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	935.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55694	0.8
71.01394	0.6
71.65584	0.4
84.22297	0.4
94.36230	0.3
95.01397	0.8
104.45460	0.3
107.01368	0.4
109.45383	0.4
115.00389	0.8
117.03470	0.9
119.05021	1.1
122.76596	0.4
123.00909	2.0
124.01656	0.7
125.02447	3.1
129.03474	0.6
129.99435	0.3
130.72667	0.4
133.01451	2.0
133.02925	0.8
134.03773	0.5
139.17577	0.4
145.02986	2.7
147.04529	1.8
157.02985	1.2
159.04527	0.9
160.98689	0.4
161.02475	1.3
163.03999	2.1
166.99806	0.4
169.01465	2.3
173.02484	3.0
175.04008	1.8
177.02013	0.7
185.02469	3.6
187.03976	0.5
189.01967	1.3
190.02745	0.7
191.03470	2.1
201.01945	5.7
203.03534	4.4
213.01979	1.1
214.02710	0.4
216.00755	0.7
217.01462	1.7
219.02907	0.8
221.04509	0.5
226.99927	0.9
228.00587	0.8
229.01427	10.2
230.01947	0.6
231.02983	3.5
244.00096	0.6
245.00958	3.8
247.02504	2.2
248.03128	0.5
249.04050	3.2
257.00934	6.8
258.01752	1.4
270.99005	0.8
271.02362	0.5
273.00363	2.0
274.01141	2.0
275.02002	17.8
276.02390	0.8
283.99625	3.8
285.00510	0.6
287.02161	0.5
291.01483	0.9
298.98322	0.9
299.01901	0.8
299.99161	6.0
300.02567	0.6
300.99924	100.0
302.00299	2.4
310.98618	0.4
367.10315	2.4
419.92169	0.4
422.51871	0.5
450.99393	0.7
463.05261	1.6
481.06329	0.9
512.49408	0.4
580.43268	0.5
591.75983	0.4
633.07367	14.8
634.07697	0.9
782.06433	0.6
783.07190	1.1
865.82825	0.4
935.08154	9.6
936.08551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44289	8.8
95.01376	2.9
103.00406	2.1
105.20496	1.9
107.01434	2.6
115.34808	1.6
119.05031	2.2
123.00927	6.3
125.02449	13.8
131.05118	2.0
145.02965	4.0
147.04556	2.9
157.02972	2.9
158.03737	2.4
159.04552	6.9
161.02446	1.9
163.04002	2.6
169.01404	9.4
169.02773	2.2
171.04565	2.3
173.02440	5.3
175.03978	5.7
177.01912	3.6
185.02441	7.5
185.80728	1.8
187.04037	3.2
189.01875	2.8
190.02611	2.1
191.03535	3.2
193.01413	2.2
199.00366	1.9
199.04114	2.0
201.01985	9.0
203.03529	12.4
205.01564	2.4
209.06198	2.2
213.01962	2.6
214.02763	2.8
215.03432	4.4
216.00485	1.8
217.01320	3.7
219.03065	2.4
227.03316	4.2
229.01462	18.2
230.02066	2.2
231.02988	11.8
239.03569	2.3
242.02081	2.0
243.02832	8.6
245.00987	8.5
247.02547	3.0
249.04008	24.3
253.01495	5.4
257.01010	12.6
258.01682	10.7
259.02438	5.5
271.02527	5.4
273.00455	4.6
274.01254	13.2
275.01999	100.0
281.01102	2.4
282.01755	2.5
283.02209	2.1
283.99530	3.5
285.00174	2.6
286.01260	2.3
287.01874	6.2
288.02765	2.7
291.01459	4.5
297.00488	2.6
298.98578	4.7
299.01974	58.1
299.99023	7.3
300.02542	3.5
300.96487	4.2
300.99942	85.4
301.03427	4.5
302.00418	3.4
303.01404	5.2
311.01917	3.9
312.99792	2.5
313.03827	3.1
314.00598	5.7
315.01511	7.0
317.03055	12.5
327.01642	3.1
329.03015	11.9
337.03250	2.9
341.02899	2.5
343.00867	6.3
349.03601	5.6
365.02982	12.1
383.04144	5.7
401.05328	2.3
419.06232	4.9
450.99615	4.1
451.99738	2.0
571.07330	6.3
573.05078	4.4
593.00220	2.5
615.06470	5.6
633.07312	37.5
659.05359	8.0
783.07428	8.9
873.08075	4.2
917.06140	5.6
935.08002	27.8
963.68872	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	935.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15000	9.5
85.36326	1.6
90.73962	1.3
95.01412	2.2
98.21799	1.7
100.50938	1.6
107.01384	3.5
119.74023	1.5
123.00879	4.4
124.01691	2.1
125.02477	11.9
145.02953	2.7
147.04514	2.5
157.02917	2.2
158.03787	1.6
159.04504	2.9
169.01447	8.8
171.04507	2.0
173.02472	3.2
175.04033	3.8
177.01955	3.0
185.02512	3.3
187.04047	2.7
189.01889	2.2
190.02713	2.9
191.03503	2.6
193.01331	1.9
201.01938	6.9
203.03561	9.4
213.01920	2.6
214.02588	1.4
215.03508	3.7
217.01421	1.8
219.03011	2.6
227.03500	3.0
228.00636	1.8
229.01469	10.6
230.02138	1.7
231.02989	9.9
243.03020	5.6
245.00795	2.6
245.04561	1.9
247.02541	1.8
249.04074	17.1
253.01331	2.7
255.02991	2.8
257.00925	9.3
258.01733	7.5
259.02484	2.2
269.00797	1.6
271.02383	7.5
273.00525	3.5
273.04041	1.9
274.01273	14.4
274.04095	2.3
275.02029	100.0
279.03217	1.7
281.00952	2.0
282.01605	1.8
287.02072	3.8
288.02823	5.3
291.01584	2.9
295.02597	1.9
298.01169	2.6
298.98566	2.6
299.02002	53.8
299.99103	3.7
300.02597	4.8
300.99979	45.5
301.03516	4.6
303.01532	3.6
311.01910	3.5
312.99951	1.8
314.00543	5.4
315.01422	4.4
317.03058	11.7
325.03284	2.0
327.01425	3.5
329.03052	13.1
341.02859	4.7
343.01013	2.9
349.03360	2.5
365.03000	6.8
383.03879	4.8
401.04929	2.8
419.06073	4.2
481.06137	3.8
528.17224	1.8
553.06329	2.5
571.07288	7.2
573.05237	1.6
589.08441	1.8
615.05859	2.8
626.35840	1.5
633.07428	38.5
659.05121	5.3
783.06238	2.1
791.16998	1.7
935.07922	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	935.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39482	1.6
69.39807	8.7
70.45333	1.4
95.01375	3.5
107.01399	2.7
112.49822	1.5
115.43855	1.5
117.03483	2.5
119.05013	1.7
123.00890	10.0
124.01682	3.3
125.02447	16.6
131.05075	3.2
143.05049	3.5
145.02960	5.3
147.04533	4.4
157.02960	2.1
158.03769	2.0
159.04506	8.2
161.02420	4.0
163.03938	3.3
169.01448	7.3
169.02776	2.1
171.04555	3.7
173.02463	6.7
174.03302	2.0
175.04022	8.6
177.01971	5.1
177.05487	2.0
181.06636	2.0
185.02461	5.3
187.03998	6.3
189.01976	3.7
190.02744	3.9
191.03502	5.6
193.06641	3.0
197.02449	2.3
199.04047	3.8
200.01154	2.6
201.01904	9.4
203.03543	19.1
205.01462	2.0
209.06049	3.6
213.01917	3.1
214.02686	3.0
215.03560	6.3
216.00716	2.1
217.01387	5.3
218.02058	2.5
219.02910	3.1
224.49733	1.6
225.01981	3.0
227.03511	7.1
228.00682	2.2
229.01404	17.0
230.02135	3.9
231.02991	24.4
237.05551	4.2
241.01518	1.9
242.02168	2.6
243.03041	11.6
244.00041	2.7
245.00835	8.2
247.02493	3.7
248.03203	5.2
249.03993	55.7
253.01421	7.4
255.03044	3.8
257.01025	15.4
258.01642	8.3
259.02448	5.6
265.05066	4.8
269.01056	3.2
270.99683	2.3
271.02438	13.5
273.00348	5.4
274.01111	9.8
275.01999	74.2
281.01038	5.6
281.04562	4.1
282.01666	2.9
283.02347	2.9
285.00381	4.1
286.01282	2.3
287.02020	7.3
288.02808	3.4
288.99933	1.7
291.01236	16.7
293.04510	4.0
295.02570	2.5
297.00363	3.3
298.01215	4.3
298.98569	4.7
299.01987	100.0
299.99100	12.3
300.02621	5.1
300.99982	65.8
301.03540	6.5
302.00290	4.0
303.01306	2.4
309.04065	5.0
311.01913	2.9
312.99881	2.1
313.03326	2.1
314.00974	7.7
315.01569	20.6
317.03088	9.5
319.01572	2.4
320.03369	2.7
321.04077	4.9
323.01956	2.3
325.03265	2.4
327.01614	4.9
329.03006	13.1
337.03378	4.9
339.93210	1.7
341.03064	4.7
343.01022	23.3
349.03543	19.9
350.04337	2.8
351.05148	4.5
355.04700	2.8
365.03046	21.0
367.04532	6.0
383.04089	17.5
401.05096	3.0
419.06110	6.0
450.99295	2.7
452.00134	2.5
553.06464	3.5
571.07709	9.6
573.05182	14.0
615.05927	3.5
633.07208	12.1
641.05939	2.0
783.06824	4.5
855.07642	3.0
873.07611	7.6
917.07025	15.1
935.07745	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	935.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83406	0.4
70.26413	0.8
71.01378	0.4
74.02770	0.4
86.23974	0.4
95.01414	1.1
98.19269	0.4
99.08189	0.3
103.84384	0.4
108.89999	0.3
117.03471	0.9
121.02905	0.4
123.00916	2.1
124.01748	0.4
125.02438	2.6
129.03473	0.7
131.05023	0.5
132.19289	0.4
133.02977	0.6
135.04526	0.7
139.75914	0.4
145.02972	2.2
147.04550	2.5
149.02460	0.4
151.04028	0.3
157.02969	1.4
159.04517	1.5
161.02470	1.7
163.04028	1.7
165.05574	0.5
169.01416	1.8
171.00882	0.4
173.02466	3.0
175.04015	2.3
177.02020	0.9
185.02457	4.2
187.04044	0.7
189.02005	0.9
190.02731	1.1
191.03502	1.9
199.00362	0.5
200.01137	0.6
201.01927	6.2
202.02589	0.5
203.03494	6.0
205.01491	0.5
212.01340	0.5
213.01959	1.4
214.02539	0.4
216.00600	0.6
217.01453	1.7
219.03055	1.2
226.99872	1.2
227.22211	0.4
229.01428	12.9
230.02161	1.2
231.02971	4.2
244.00000	0.4
245.00882	3.3
247.02495	2.1
248.03374	0.7
249.04015	3.3
254.99396	1.0
257.00919	8.8
258.01627	2.3
259.02383	0.6
273.00516	1.8
274.01178	1.7
275.01984	25.0
276.02481	0.5
283.99619	4.0
298.98380	0.9
299.99155	4.2
300.99918	100.0
302.00223	3.1
406.55530	0.4
450.99347	0.5
451.99637	0.4
633.07336	5.6
634.07129	0.5
935.08026	22.7
936.08173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74523	8.5
69.18714	33.8
69.19113	11.3
71.01386	13.9
79.95741	13.1
80.96535	10.1
82.39655	7.4
85.02975	9.3
88.31284	7.7
96.96007	14.8
101.02437	16.3
116.92881	11.2
125.18553	9.2
127.25159	9.7
168.01654	7.0
175.54346	7.6
189.48178	7.8
209.11876	100.0
226.01714	9.2
227.12875	29.1
266.01825	9.5
291.19626	77.1
338.51569	7.7
397.13403	54.7
607.25665	10.5
689.33893	12.7
935.45892	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62931	0.5
69.03468	1.6
69.23702	3.6
71.01391	10.9
72.99310	0.7
73.02952	1.4
80.02681	0.6
81.03460	1.6
83.01390	1.7
83.05042	3.8
83.84951	0.5
85.02955	9.1
87.00872	1.9
87.96775	0.6
89.02457	9.0
95.01395	1.0
95.05068	0.9
96.96018	1.9
97.02967	3.1
97.06611	1.7
98.22624	1.1
99.00887	0.7
101.02446	9.4
113.02468	5.2
119.03513	2.2
125.02462	3.6
125.06166	0.8
127.11299	1.0
137.09746	1.3
143.03462	1.7
150.03242	0.6
161.04581	2.2
163.11261	3.4
165.12872	1.7
167.03392	0.7
171.10281	18.7
179.05672	2.8
181.12355	0.6
183.13943	2.1
191.10855	0.8
193.12361	0.7
197.11798	0.6
201.11305	0.7
209.11848	55.8
210.12158	0.7
211.13411	10.0
221.06697	1.3
221.11890	1.8
227.12930	6.4
229.14462	7.7
235.08206	3.1
239.12912	1.2
258.93643	0.7
260.35663	0.6
275.01962	1.0
287.07758	1.2
291.19714	3.1
300.99884	2.0
305.08673	1.2
309.00027	0.6
309.20737	7.9
323.10156	0.7
327.21786	100.0
328.22034	2.4
364.83890	0.6
377.88821	0.6
379.12241	0.7
397.13531	30.3
415.14590	16.7
415.20212	1.0
519.33154	1.7
537.33704	0.6
607.25836	3.4
707.34680	4.3
725.36163	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	937.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	51.0
73.02957	6.4
74.83736	4.1
82.95429	16.2
83.05023	4.3
85.00473	18.2
85.02946	8.0
87.00878	4.5
89.02455	19.4
95.01403	5.4
96.96024	3.9
97.02946	7.6
99.00849	4.6
101.02480	19.9
109.06607	39.0
113.02456	14.9
119.03545	8.3
125.02470	7.9
135.08171	3.8
143.03502	3.9
159.56491	3.6
161.04507	6.8
163.11324	20.9
171.10355	4.3
179.05621	7.6
181.12384	7.2
182.12810	3.4
196.97266	3.3
199.09875	3.8
201.11308	3.6
201.85368	3.0
207.10291	100.0
209.11819	14.9
225.11337	62.0
227.12804	3.4
235.08186	10.5
243.12239	5.4
253.09566	3.5
277.21780	67.4
287.07755	4.3
379.12549	3.6
397.13538	46.2
398.38660	3.8
415.14490	12.9
599.33209	3.5
605.24481	5.5
623.25592	20.1
774.56299	4.3
883.47040	46.6
884.47156	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	937.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01025	5.5
71.01389	71.6
71.43834	3.9
73.02961	10.9
75.26294	3.7
82.95421	9.9
83.01388	4.3
83.05027	3.9
85.00446	8.9
85.02956	7.1
87.00886	10.3
89.02458	36.8
96.96018	6.5
97.02947	13.9
99.00877	6.5
99.92588	5.1
101.02442	26.6
105.05150	3.1
109.06584	31.6
113.02459	12.6
116.92088	5.1
116.92877	52.0
119.03483	6.2
125.02406	8.5
143.03470	7.2
161.04497	8.4
163.11264	12.0
166.17023	3.3
171.10365	7.3
179.05605	10.0
181.12305	3.9
182.09421	4.2
199.09738	6.6
207.10275	100.0
209.11856	19.1
225.11308	47.7
235.08173	8.3
243.12083	4.5
277.21753	85.3
280.29266	3.6
397.13474	79.3
405.56219	3.4
415.14612	15.1
455.52539	3.7
605.24017	6.6
623.25696	8.8
883.47070	49.6
884.47473	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	939.1119
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01867	1.0
69.03448	2.1
69.29545	4.0
71.01379	2.0
75.98829	0.7
79.01904	2.7
81.03464	2.5
85.02945	0.9
87.73140	0.7
92.28832	0.8
93.03431	0.7
93.35873	0.7
95.01399	14.2
95.09262	0.7
97.02960	4.2
98.22595	1.7
107.01387	7.7
109.02950	0.8
111.00879	2.2
113.02473	1.5
119.05015	1.1
123.00896	36.8
123.04527	0.7
123.44576	0.7
124.01667	14.2
125.02457	83.6
125.41601	0.7
126.02802	1.0
126.44808	0.6
136.98875	1.1
137.02455	0.8
139.00378	2.9
140.01196	1.9
141.01909	3.2
143.03564	0.8
143.04959	1.2
145.02971	2.1
145.06607	0.9
147.04520	0.8
149.02463	1.7
151.00394	2.5
153.01958	1.4
159.04517	1.8
161.02467	2.6
163.03993	1.7
165.01979	1.1
166.99863	14.3
167.03442	0.7
168.00645	9.7
169.01436	100.0
170.01764	1.4
171.04567	1.2
175.03986	1.4
177.01955	2.2
178.99791	0.9
179.03540	1.4
181.01491	0.7
184.24727	0.8
187.04030	2.2
189.01956	0.9
189.05594	2.8
190.02678	1.0
191.03522	2.9
193.01436	4.5
203.03531	1.6
205.01427	3.0
205.05148	2.6
207.03014	2.5
211.02483	5.3
215.03461	2.4
217.05043	2.4
221.00816	1.4
231.03154	0.9
233.04466	3.8
235.02538	1.3
249.04047	1.1
251.05621	1.2
259.02472	1.2
261.04068	2.4
264.82474	0.8
275.02078	0.8
277.03619	2.3
279.05182	2.7
295.04590	4.6
297.06052	0.7
300.99960	2.8
313.05701	6.5
351.10739	1.0
403.06491	1.4
429.04779	1.6
431.06183	3.6
447.05695	4.5
449.06873	0.7
465.06842	3.5
513.13068	0.8
539.21313	2.0
555.07660	1.0
599.06702	3.7
601.08325	2.8
617.07831	10.1
725.10217	1.1
769.08948	51.7
770.09064	3.7
787.09814	5.5
917.36121	0.9
939.11102	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	939.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53200	0.4
67.01888	0.4
69.03444	0.6
69.21391	0.8
69.21796	1.2
70.40275	0.4
71.01378	1.4
74.61870	0.4
80.29604	0.3
81.03436	0.5
83.01391	0.4
87.00893	6.2
95.01385	1.3
95.30665	0.3
96.95989	0.4
97.02956	0.8
101.02442	0.7
107.01406	3.8
107.05006	0.7
111.00884	1.0
111.04599	0.4
121.02973	2.1
122.03710	1.1
123.00900	5.8
124.01685	5.9
125.02462	19.5
130.99887	2.8
134.03723	0.6
136.98811	0.7
137.02454	0.7
139.00380	1.1
140.01212	1.6
141.01930	1.0
146.04582	0.4
147.04543	1.1
148.05272	0.3
151.00378	3.0
153.01857	0.4
153.85176	0.3
163.04018	0.8
164.04819	0.4
165.01965	0.5
168.00665	3.6
169.01454	23.2
191.10815	0.8
209.11893	0.7
211.02495	1.6
237.03970	0.5
254.04303	2.9
271.04572	1.1
272.07272	0.3
275.02063	0.4
293.48566	0.4
300.99936	0.9
301.62262	0.3
313.05713	1.1
351.10876	5.0
369.11972	0.5
417.11935	5.7
435.12988	12.6
587.14130	100.0
588.14307	2.9
625.59412	0.4
864.12726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6429
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47718	0.8
69.48126	1.7
83.05015	0.9
96.96014	0.6
126.37524	0.4
168.89307	0.4
190.05074	0.5
218.93330	0.4
225.16208	0.6
267.03738	0.5
293.63489	0.4
319.93994	0.5
404.88138	0.5
451.32742	0.7
903.66278	2.4
939.64246	100.0
940.64294	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	942.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	25.9
89.02379	30.5
98.22725	25.9
116.92864	37.4
160.10699	27.2
197.00867	28.2
211.70822	25.5
223.13374	100.0
224.13698	26.9
277.21677	24.9
307.43301	27.5
397.13266	63.9
398.14020	29.3
399.17831	27.4
505.88867	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.1
69.38342	7.3
71.01392	3.6
80.11710	1.2
83.05023	2.2
87.00887	26.8
87.01404	2.6
91.50136	1.4
95.42329	1.2
98.22625	2.4
113.02456	1.9
121.02966	2.1
122.03728	4.3
123.04549	1.6
130.99857	6.0
135.04474	1.5
146.03755	6.3
147.04517	8.4
148.05292	2.0
149.02411	1.5
159.04570	3.7
160.05284	1.8
161.06178	1.8
163.03938	1.9
163.11282	2.8
172.05342	3.2
173.06088	3.8
174.03253	3.4
175.04019	5.8
186.06873	2.9
187.03984	2.3
188.04765	3.8
189.05591	6.1
190.06384	16.9
200.04825	6.6
209.11855	18.8
211.07893	1.7
211.13365	6.8
216.07925	2.5
269.29779	1.4
271.13406	12.4
283.13470	2.0
285.14771	1.5
287.16644	2.9
289.14435	5.7
297.14917	9.7
299.12866	3.1
300.13702	2.0
313.14633	2.1
314.27496	1.6
315.16034	46.3
323.16559	3.7
325.14548	12.6
333.17178	10.4
341.17673	5.4
343.15729	6.8
357.17084	3.4
361.16528	2.0
367.15744	1.6
518.19684	1.4
766.44678	1.5
911.39496	14.5
925.40564	2.1
943.41803	100.0
944.40997	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	945.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11259	4.7
68.18893	4.3
69.70113	18.0
71.01385	23.8
83.05038	7.6
85.30626	4.5
88.98833	13.0
89.02468	16.0
101.02447	16.4
113.02484	6.7
119.03513	5.4
131.42714	5.8
165.88019	5.1
172.08005	4.9
197.92751	4.5
209.11829	100.0
210.87253	4.4
221.06587	5.3
227.12898	15.9
235.08257	6.7
260.87161	5.6
277.21692	44.5
379.12473	12.3
397.13507	38.8
398.69077	5.9
415.14691	8.3
456.26718	6.0
471.34781	70.7
472.35135	99.1
473.35532	20.5
642.40247	5.3
861.12189	5.9
964.16406	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	947.368
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	35.3
73.02937	4.2
78.12431	2.8
83.01425	4.5
85.02956	12.2
87.00893	5.4
89.02454	22.7
91.12370	2.9
95.01395	4.6
98.22672	7.9
101.02444	14.3
104.05099	5.5
106.06647	5.0
108.04570	11.6
113.02453	12.2
119.03540	6.6
121.03016	4.7
122.03761	3.6
122.06142	4.6
125.02489	4.3
132.04568	69.4
134.06137	54.4
135.04549	4.8
148.04039	4.2
150.03284	13.4
150.05609	4.2
152.07179	9.0
158.06119	6.2
160.04060	6.5
161.13455	3.9
164.16997	2.6
165.05603	19.9
169.01437	4.2
176.03561	18.0
187.11316	10.1
188.03630	14.4
190.05080	9.4
195.06607	12.4
205.12216	4.6
227.11969	4.9
249.11469	5.4
251.11913	15.1
255.11389	8.2
263.08295	2.7
277.06223	3.3
277.09534	3.7
279.11435	33.2
295.10880	10.0
297.12427	3.2
300.99683	3.7
305.09329	11.6
307.07190	3.9
314.12305	6.4
323.10437	30.2
329.13846	6.7
337.11905	8.3
343.11371	3.2
351.04257	2.7
351.11075	3.5
410.45242	2.9
459.17773	20.1
475.17133	6.7
483.58807	3.0
485.15887	6.7
503.16785	42.6
517.18475	4.5
591.22742	3.9
647.29449	3.5
691.28815	23.7
723.31134	3.4
735.27838	40.2
749.29016	4.1
767.30353	34.7
777.27850	4.1
897.33087	7.3
915.34241	100.0
929.35114	7.3
947.18555	4.9
947.36725	73.8
948.35809	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	947.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01027	3.5
71.01392	39.6
73.02929	4.4
83.01400	3.5
85.02956	11.9
87.00888	5.4
89.02447	31.5
95.01379	5.2
98.22784	6.0
101.02451	21.5
103.16362	3.4
104.05057	6.8
106.06647	9.4
108.04556	9.9
113.02451	14.0
119.03539	9.4
121.02904	5.1
122.03709	5.5
122.06161	3.1
123.60954	3.2
132.04575	71.0
134.06139	65.1
135.04550	4.4
144.04553	5.6
145.01425	4.9
148.04022	3.6
149.02441	6.3
150.03244	20.7
150.05566	8.6
152.07184	7.2
158.02458	3.8
158.06090	5.8
160.04060	6.8
161.13321	6.2
165.05589	16.8
169.01421	4.9
176.03531	16.9
179.61913	3.1
187.11302	13.7
188.03529	10.9
190.05058	12.5
192.06624	3.8
195.06627	16.5
202.05029	3.9
251.11914	15.7
255.11362	8.2
263.08478	3.8
279.11465	31.5
295.10889	6.1
299.08942	3.6
300.99939	4.3
305.09293	9.2
307.07404	4.5
314.12378	7.4
322.09399	3.7
323.10489	28.8
329.13971	6.3
337.11905	8.6
343.11853	5.8
355.12759	3.7
435.17661	4.0
459.17950	17.9
475.17426	5.5
503.16714	38.0
517.18671	4.1
535.18658	4.2
673.27594	5.1
691.28918	27.4
709.29248	4.5
735.27942	39.6
749.29639	5.6
767.30627	36.9
897.32916	12.2
915.34015	100.0
916.33490	5.5
929.35553	6.7
937.13849	3.8
947.36829	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60333	71.7
79.02412	64.0
81.63042	70.4
94.92484	78.5
96.96011	100.0
109.26311	77.9
140.74544	78.1
160.74690	63.4
209.11931	84.5
292.85718	68.8
498.96210	72.7
839.48090	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73109	65.3
90.11728	60.6
92.92838	64.7
96.96019	88.9
105.08842	67.1
122.27716	60.1
142.39510	61.8
209.11880	100.0
228.10246	71.2
452.49750	62.2
657.53784	73.9
692.38702	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35742	0.7
67.26743	0.7
69.63444	1.7
69.63834	1.8
76.10030	0.9
86.06347	0.7
95.01442	1.2
101.03963	0.8
117.03495	1.7
119.04990	0.8
119.24377	0.9
123.00882	2.1
124.01641	0.9
125.02454	2.2
129.03474	1.2
133.02962	1.8
145.02963	5.0
147.04555	1.3
153.96674	0.9
156.02232	0.8
157.02982	1.8
159.04507	1.8
161.02460	2.9
163.04008	2.1
171.00858	1.6
172.01686	2.5
173.02432	5.7
174.03171	1.3
175.03937	4.3
177.01988	1.9
185.02434	4.8
187.00267	1.0
187.04019	1.1
189.01941	6.0
190.02736	6.3
191.03511	4.6
199.00394	0.9
200.01115	4.1
201.01962	9.1
202.02702	2.0
203.03526	6.7
205.01443	1.1
213.01961	1.5
214.02795	1.3
214.99931	1.1
216.00595	2.4
217.01382	5.0
218.02235	2.9
219.03062	1.3
222.70166	0.9
226.99838	4.3
228.00677	4.2
229.01427	17.4
230.02216	2.7
231.02994	5.7
235.02367	1.1
242.99344	1.3
244.00121	2.7
245.00883	7.7
246.01822	1.6
247.02505	5.1
248.03255	2.9
249.04095	4.4
254.99373	1.4
256.98453	1.6
257.00916	13.8
258.01727	4.0
261.00409	1.1
270.98877	4.7
273.00421	10.1
274.01245	12.1
275.01999	44.5
283.99667	5.8
285.00461	3.3
290.00897	1.5
291.01746	1.4
298.98373	7.7
299.99142	24.3
300.99924	100.0
302.00418	2.2
362.74707	0.8
399.03439	0.8
425.01553	3.9
479.04977	3.6
480.05530	1.8
481.06396	4.9
605.07593	4.4
678.33722	1.0
745.03021	4.9
763.04163	2.9
764.04944	2.6
776.01898	0.9
781.05243	3.1
782.06189	8.1
783.07062	16.1
907.08624	21.3
908.08118	1.1
967.54541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.387
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08636	1.5
69.09043	1.8
71.01385	3.6
77.30270	0.4
78.88487	0.5
81.44774	0.5
83.01371	0.7
85.02953	1.1
89.02436	3.3
94.65533	0.5
95.01385	1.0
97.02941	0.5
98.22605	1.1
101.02441	1.6
107.01372	3.6
109.89406	0.5
111.00905	1.4
113.02438	1.3
119.03513	2.2
122.88717	0.4
123.00898	5.4
124.00757	0.5
124.01671	11.3
125.02461	25.5
125.17477	0.6
125.19169	0.4
136.98772	1.0
137.09718	2.0
139.00349	1.6
140.01147	2.0
141.01933	0.8
146.93954	0.5
151.00388	2.0
161.13385	1.6
165.01971	0.7
167.03458	0.9
168.00653	13.6
169.01440	36.0
179.05594	2.3
183.02950	0.9
183.19606	0.5
185.83904	0.4
193.01363	0.8
205.12357	3.4
205.58411	0.4
211.02495	61.9
212.02840	1.0
217.00537	0.5
225.20958	0.5
241.03551	2.1
249.11369	6.4
271.04611	100.0
272.04971	2.2
331.06735	27.3
332.07172	0.8
429.17752	10.8
436.12610	0.6
521.20306	90.9
522.20856	3.9
985.22400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61287	2.3
69.03468	3.3
71.01390	26.9
73.02951	3.9
80.02682	2.8
81.03444	3.1
83.01387	4.1
83.05030	6.7
85.02943	7.0
87.00885	5.3
89.02456	15.1
95.05045	6.1
96.96023	11.2
97.02961	35.4
97.06616	4.0
97.66925	2.1
101.02432	17.4
113.02448	8.0
119.03497	4.1
122.91432	2.0
123.00889	4.0
123.08159	2.9
125.02447	7.2
125.06113	3.1
130.60939	2.1
135.79932	2.0
146.97878	2.3
158.38869	2.1
161.04494	3.4
163.11290	9.4
165.12831	4.2
169.01440	3.2
171.10269	4.4
177.12912	3.4
179.03511	2.6
179.05634	2.7
189.61258	2.2
205.12347	4.4
209.11861	94.2
210.12155	2.4
221.06464	2.5
223.13409	69.1
227.12863	7.1
267.12341	7.3
275.02051	3.4
299.98993	4.7
300.99979	11.4
343.21335	17.2
356.50204	2.7
397.13446	6.6
415.14606	4.8
585.83185	2.6
739.98846	2.8
875.39294	100.0
876.39197	6.8
907.41980	24.5
951.40869	69.8
952.40527	4.0
981.68909	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	953.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69894	0.9
82.09969	0.6
85.89404	0.7
95.01399	1.3
102.01698	0.5
105.10351	0.5
117.03439	1.2
119.05050	1.4
123.00927	3.7
125.02440	6.1
129.03535	1.1
131.05031	1.1
133.02930	1.1
135.04533	0.9
145.02921	3.6
147.04518	3.1
157.02940	2.6
158.03799	0.7
159.04503	2.6
161.02444	1.8
163.03989	2.5
169.01440	4.4
173.02477	4.5
174.03207	0.6
175.04013	4.5
177.01973	2.2
185.02455	7.4
187.03961	0.8
189.01923	2.5
190.02789	1.4
191.03503	3.9
201.01947	10.2
203.03540	8.6
205.01509	0.8
213.01939	2.0
217.01472	2.9
219.02936	3.2
226.99919	1.7
228.00690	1.1
229.01433	18.3
231.02968	8.1
244.00058	1.1
245.00873	5.9
247.02486	2.4
248.03108	0.8
249.04044	9.3
257.00940	13.4
258.01654	6.0
273.00455	2.6
274.01199	3.1
275.01993	54.2
276.02228	1.3
283.99576	4.2
291.01538	0.9
298.14038	0.6
298.98727	0.7
299.99127	5.7
300.99924	100.0
302.00259	2.8
319.01044	1.7
573.04926	0.9
615.06677	1.1
633.07623	4.7
633.23566	0.6
651.08765	0.9
829.17621	0.7
935.08167	14.1
936.08264	1.4
953.08936	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	953.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32695	2.2
69.33098	1.4
78.66497	0.6
88.08132	0.6
89.96353	0.6
95.01393	1.3
107.01378	0.9
117.03443	0.7
118.48499	0.6
119.05069	0.8
123.00892	2.7
125.02465	5.1
131.05035	0.8
133.02972	0.9
143.72565	0.7
145.02982	4.0
147.04503	2.2
149.02420	0.7
157.02980	1.8
159.04543	2.3
161.02434	1.2
163.04066	1.7
169.01453	4.6
173.02466	3.9
175.04036	3.3
177.02060	1.2
185.02419	4.5
187.04137	0.7
189.01936	1.7
190.02745	2.2
191.03514	3.9
200.01233	0.7
201.01942	7.0
202.02597	0.7
203.03519	7.3
205.01515	1.1
213.01933	1.4
217.01472	2.7
219.03035	2.6
226.99809	0.8
229.01439	17.0
230.02208	1.3
231.02982	7.2
245.00911	4.0
247.02559	3.6
248.03223	1.1
249.04068	10.6
257.00949	12.9
258.01733	4.6
259.02292	0.9
273.00497	3.3
274.01199	3.2
275.02008	61.7
276.02402	1.4
283.99573	4.0
298.98337	1.1
299.99182	5.2
300.99933	100.0
302.00266	1.7
319.01035	0.9
368.03967	0.7
633.07599	5.0
724.79047	0.7
935.08160	16.2
953.09076	19.6
953.28503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86423	8.2
71.01390	32.8
75.45025	2.2
81.03484	3.6
81.79700	2.6
83.01397	3.6
83.05029	5.8
85.02959	4.7
87.00867	3.6
89.02457	20.2
92.84036	3.0
95.05033	3.4
96.96020	35.8
97.02980	5.9
101.02457	19.0
104.71348	2.4
109.06599	9.0
111.08175	5.7
113.02467	9.9
119.03529	9.6
125.02462	7.6
143.03563	5.2
161.04625	4.9
163.11322	5.7
179.05650	12.9
180.83057	2.6
195.13931	6.0
201.11414	5.0
207.10300	23.9
209.09837	4.9
209.11839	100.0
223.13425	8.0
225.11292	16.1
227.12944	26.7
235.08232	6.7
291.19681	90.1
292.20029	5.0
293.21255	45.7
313.76688	2.7
379.12683	4.0
385.20886	2.8
397.13541	61.4
415.14490	23.8
559.25562	3.0
671.33087	3.4
689.33295	4.5
867.38257	10.3
881.44464	3.5
899.45721	12.2
953.44629	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	954.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	1.1
95.01414	1.0
107.01405	19.2
111.00900	2.6
123.00887	2.6
124.01683	10.0
125.02467	46.7
125.89164	0.6
126.02769	0.9
127.00433	1.1
129.01917	0.9
136.74524	0.7
136.98846	1.5
137.02469	1.4
139.00397	2.3
140.01176	4.4
145.02945	1.2
147.04515	0.8
150.03290	0.7
151.00407	1.0
158.06169	1.0
168.00684	4.9
169.01448	100.0
170.01775	1.7
173.02408	0.8
175.04021	2.2
177.01947	0.8
184.04085	1.3
185.02521	1.2
186.06050	0.7
187.02769	0.9
190.02895	0.8
191.03566	0.9
195.05113	2.5
201.01974	1.5
202.05110	3.6
203.03531	2.0
214.95462	0.8
218.49136	0.8
228.75041	0.8
229.01410	3.3
230.01814	1.1
231.02921	2.1
246.04132	3.1
249.04146	3.4
250.04341	1.0
257.00916	2.0
258.01498	2.5
259.01984	0.8
274.01022	0.8
275.01996	12.1
276.02356	4.3
285.06253	0.9
296.16574	0.8
299.98987	1.1
300.99933	23.5
302.00220	10.9
313.05701	0.9
347.06293	1.3
348.06332	1.1
426.10464	92.5
427.10828	2.6
437.07742	1.0
479.11935	2.0
527.14313	6.2
594.32959	0.8
603.89960	0.9
623.91730	0.9
789.08136	0.9
936.09058	1.5
954.09381	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	959.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33992	0.9
71.01380	3.0
72.99315	19.7
75.00880	1.1
79.60997	1.2
83.05039	2.4
85.02956	1.1
87.00885	9.2
88.98820	11.9
89.99136	1.5
97.92596	1.0
100.98809	2.4
101.02475	2.2
103.00368	8.0
107.05635	1.0
109.03028	1.4
121.02995	1.5
122.03742	4.0
123.04465	1.6
125.02448	1.2
135.04475	2.2
146.03760	6.6
146.99393	5.0
147.04562	3.2
148.05341	1.3
150.03217	3.8
151.03969	1.4
159.04520	5.0
160.05321	2.9
161.06110	1.9
162.06798	1.2
163.04137	1.3
163.11317	1.6
165.05577	1.5
165.12852	1.8
172.05322	5.0
173.06161	1.8
174.03226	4.1
174.06848	1.0
175.04074	5.9
175.07617	1.3
176.04770	3.8
178.02750	1.5
180.04358	1.2
185.06041	1.2
186.06868	2.0
187.04016	2.7
188.04851	5.7
189.05598	2.4
190.02739	1.8
190.06363	9.7
200.04829	4.3
201.05559	2.1
203.03429	1.2
209.11844	19.0
211.13435	4.2
217.12224	1.8
230.05786	1.6
234.01309	1.3
237.40482	1.2
245.11823	1.2
255.05177	2.2
259.13467	2.2
270.03864	2.1
271.13385	11.2
283.13474	9.6
285.14822	1.7
287.12943	1.3
287.16492	1.8
289.14478	3.5
295.69424	1.3
297.14908	3.4
298.01309	1.4
299.01947	1.4
299.12985	3.3
300.99942	2.1
301.14413	12.1
311.13010	2.6
313.14447	5.6
315.16043	29.0
325.14465	8.4
327.16019	1.5
329.14035	3.6
331.15448	1.2
333.17075	7.2
337.14474	3.4
341.14041	1.4
343.15359	6.0
355.15524	3.1
357.17114	2.4
373.16486	3.4
417.45853	1.2
585.24072	1.2
819.38129	1.5
833.35486	1.4
837.39502	4.6
883.39532	2.0
927.38672	9.9
941.39972	4.0
954.41229	1.2
959.41473	100.0
960.41907	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	959.6985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29276	0.3
69.10431	1.0
69.10857	1.2
82.09656	0.3
85.00439	0.5
88.98786	0.9
96.96027	0.4
116.92834	0.3
252.86559	0.4
433.11496	0.4
471.34833	100.0
472.35226	3.1
925.85266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47942	0.7
67.57127	0.6
81.03455	2.6
83.05044	4.6
84.22392	0.9
87.14201	0.6
108.83126	0.7
158.63141	0.7
179.96277	0.8
224.17705	1.0
225.16116	3.0
451.32916	2.9
499.28375	100.0
500.28763	2.8
534.52399	0.7
733.03491	0.8
786.24725	0.7
903.50531	1.5
903.66571	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6874
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49870	0.7
69.50258	0.5
72.10480	0.2
76.76855	0.3
81.03465	5.9
82.06647	0.3
83.05032	12.8
85.54883	0.2
100.07668	0.4
107.06155	0.3
108.04540	0.5
125.07225	1.0
126.05614	0.5
143.08189	0.4
151.26054	0.2
172.59390	0.3
207.14972	1.0
219.71178	0.3
224.17679	2.6
225.16095	9.0
229.73122	0.3
242.18770	0.4
291.20599	0.3
301.10703	0.3
309.21771	0.9
324.26419	0.3
333.23032	0.7
341.29202	0.9
367.27124	0.9
433.31903	1.3
450.34521	0.9
451.32925	8.0
550.43756	0.5
567.45898	0.8
593.44342	0.4
659.48553	0.4
677.49823	1.5
776.60236	0.5
816.82159	0.3
885.65881	0.4
903.66608	100.0
904.66901	5.5
921.22522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08847	1.4
70.09162	0.8
82.87025	0.7
89.04018	0.9
93.37942	0.7
95.01410	2.5
97.02980	1.0
98.22588	0.8
107.01380	1.3
111.00889	1.4
111.23267	0.7
117.03446	1.9
119.05013	0.9
123.00892	5.9
124.01713	0.9
125.01789	0.6
125.02494	6.3
129.03471	1.3
131.05026	0.7
132.02217	1.0
133.02960	2.0
135.04466	0.9
137.02464	0.9
139.00363	1.3
139.04021	3.7
144.05769	0.6
145.02966	7.3
147.04498	3.4
149.02402	0.7
151.04010	1.0
153.01988	1.0
157.02945	3.3
159.04575	3.6
160.01682	0.9
161.02390	3.6
163.00392	1.9
163.04008	3.4
165.01961	3.6
169.01419	3.2
169.02753	1.0
171.00887	3.1
171.04460	0.9
172.01653	1.5
173.02454	7.2
174.03180	1.0
175.00447	0.8
175.03999	4.8
177.01935	3.3
179.03551	0.9
184.43066	0.8
185.02463	7.5
187.00426	1.8
187.04037	2.0
188.01181	1.9
189.01926	6.3
190.02721	3.4
191.03578	4.3
195.04532	1.1
197.02359	0.9
199.00407	3.2
200.01192	2.3
201.01953	10.4
202.02698	1.0
203.03519	11.2
205.01410	1.6
207.02939	1.1
211.04030	0.8
213.01982	5.5
214.02831	2.0
214.99910	2.0
215.03468	1.9
216.00645	2.1
217.01457	6.7
219.03032	2.7
223.04205	0.8
226.99863	4.0
227.03503	1.1
228.00641	2.1
228.99196	0.9
229.01427	22.0
230.02223	2.7
231.02974	11.0
239.03654	1.0
241.01463	3.2
242.99338	1.7
243.03041	1.9
244.00169	0.8
245.00934	11.2
246.01457	1.0
247.02509	6.0
248.03198	1.3
249.01498	1.1
249.04053	17.8
253.01538	0.7
254.99431	2.2
257.00970	14.5
257.03983	1.0
258.01709	6.5
259.02499	5.0
259.99591	2.2
261.00372	3.2
269.00943	3.7
270.98856	3.4
271.02234	1.6
271.99701	0.8
273.00446	9.3
274.01160	4.6
275.02002	47.4
276.02283	1.5
279.02991	0.8
282.01584	0.9
282.99164	1.2
283.02454	0.8
283.99551	4.2
285.00415	8.9
285.03506	1.3
286.98849	0.7
287.01959	3.1
289.00049	1.3
289.03467	0.9
291.01559	4.0
295.02585	1.1
297.00455	4.4
297.03537	1.0
298.98395	10.5
299.99161	9.0
300.99927	100.0
302.00198	2.3
303.01419	1.2
315.01538	2.6
316.99899	0.9
319.00946	1.2
323.02200	1.0
325.03323	0.9
326.97665	1.1
328.99554	1.2
329.03131	1.6
331.01083	0.9
339.01498	1.3
340.99475	3.7
345.08200	3.6
348.99783	1.2
351.01498	1.6
355.04254	0.8
363.01688	0.8
367.01050	1.1
376.99313	1.3
399.03592	0.9
404.98889	1.2
425.01450	3.9
450.99475	33.3
479.04959	0.9
481.05771	6.1
539.31793	0.8
569.06445	0.9
573.05231	4.9
631.05554	2.0
645.08246	0.9
745.03540	2.4
763.04437	3.0
781.06122	1.1
782.05969	2.3
783.06836	15.0
784.07086	1.0
827.07141	0.8
832.16931	0.8
859.10974	0.9
903.09912	1.6
933.06360	17.8
934.07452	1.2
947.08740	1.0
965.09625	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	965.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55463	2.4
109.77308	1.4
119.04993	1.8
123.00896	3.9
125.02442	3.8
131.05063	1.6
133.02975	2.4
145.02959	5.6
147.04514	3.2
157.02960	3.1
161.02429	2.8
163.04022	4.6
169.01479	2.8
171.00946	2.1
172.01730	2.5
173.02498	8.1
175.04066	5.4
177.01923	2.6
185.02443	6.2
188.01205	1.7
189.01938	3.7
190.02792	3.7
191.03468	3.1
199.00305	3.3
200.01141	2.7
201.01930	9.5
203.03589	7.4
213.02026	3.5
214.99980	1.6
217.01450	4.3
218.02263	1.7
226.99922	4.2
228.00870	1.9
229.01424	18.6
231.02995	8.4
233.01048	1.8
241.01340	2.1
242.99312	3.2
244.00208	2.4
245.00903	9.0
247.02562	5.2
249.04117	12.2
254.99390	2.0
257.00937	11.8
258.01727	5.0
259.02484	2.2
261.00305	2.6
264.95969	1.5
270.98892	1.9
273.00433	5.5
274.01212	6.3
275.02014	39.6
283.99670	4.9
285.00452	1.7
286.99069	2.2
287.01956	11.2
291.01419	2.6
298.98370	10.5
299.01462	2.1
299.99133	11.6
300.99927	100.0
302.00134	3.2
327.95428	1.4
329.03397	1.7
450.99518	3.5
461.03232	1.5
481.06033	9.0
573.05151	3.8
578.46448	1.4
662.92181	1.7
681.13702	1.6
745.02954	7.0
763.03949	6.7
764.04944	2.4
781.05371	3.4
782.05963	5.9
783.06726	26.2
794.63269	1.6
921.09973	2.0
965.09167	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	965.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11090	11.7
73.62583	1.4
95.01393	4.5
98.22675	2.8
101.22415	1.5
105.03439	2.1
107.01380	3.7
117.03510	2.0
119.05082	1.7
123.00887	12.4
124.01693	3.4
125.02460	17.9
129.03506	2.7
131.05074	2.7
133.02962	2.7
135.04523	2.2
137.02423	1.8
143.05069	1.7
145.02945	9.7
147.04529	6.2
149.02399	2.0
151.00391	1.7
157.02953	7.8
158.03737	2.8
159.04536	6.6
160.01729	3.4
161.02452	6.8
163.03979	7.1
164.04428	1.6
165.01933	1.9
169.01437	11.5
169.02855	2.8
171.00896	3.4
173.02438	9.2
175.04027	12.1
177.01942	7.0
185.02441	11.7
187.00307	3.2
187.04027	5.7
188.01181	7.1
189.02002	7.9
190.02690	5.3
191.03473	7.4
193.01552	1.7
196.05176	1.9
197.02429	1.7
199.00414	2.7
199.03990	2.0
201.01942	17.0
202.02753	4.2
203.03526	20.6
205.01306	2.3
209.06139	1.9
213.01921	12.4
214.02631	3.5
214.99915	2.3
215.03506	3.6
216.00664	4.6
217.01414	13.0
219.03004	4.3
225.01920	3.2
226.99931	5.3
227.03452	2.6
228.00822	2.6
229.01419	32.7
230.02278	4.4
231.03008	26.0
232.03735	1.7
233.00931	2.1
237.05560	2.1
239.03418	2.2
241.01469	10.9
242.02185	4.1
242.99297	3.6
243.03050	7.6
244.00192	3.1
245.00854	15.4
246.01582	1.7
247.02512	11.3
248.03210	4.9
249.04033	64.0
253.01367	1.9
253.05107	4.4
254.99258	2.9
255.03165	2.5
256.03705	1.6
257.00955	19.5
258.01685	10.4
259.02411	9.6
259.99576	10.5
261.00311	9.0
269.00912	19.4
270.98895	5.0
271.02481	4.9
271.99728	2.3
273.00436	14.3
274.01123	6.0
275.01996	65.8
279.03165	2.3
281.04572	3.1
283.02539	2.9
283.99646	4.7
285.00394	16.4
285.03543	2.8
288.99811	3.0
291.01468	12.5
293.03030	3.1
295.02426	1.8
297.00412	16.1
297.03766	2.8
298.98352	8.2
299.01749	3.6
299.99170	10.5
300.99933	100.0
302.00266	2.2
303.01505	6.4
309.04221	3.4
312.99811	3.1
315.01501	13.4
319.01047	2.0
321.04303	2.8
325.03506	2.5
328.99667	2.8
329.03140	4.1
331.00897	3.5
337.03369	2.7
340.99490	21.3
353.02646	2.3
359.04309	2.5
373.01956	4.0
395.04059	2.3
397.05280	2.0
449.07584	1.9
450.99490	2.2
551.04578	1.7
573.05426	26.5
587.06519	2.3
645.07654	2.7
809.06671	2.3
871.06805	5.4
903.08936	5.9
933.06519	2.5
965.08795	4.8
1001.22589	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41241	0.6
76.26727	0.8
90.10192	0.6
96.96050	1.4
104.03451	0.6
111.08202	0.9
127.90515	0.7
148.14362	0.6
162.82182	0.6
163.55583	0.8
165.12872	23.5
165.14290	1.2
171.10289	0.8
173.01988	0.7
183.13916	93.7
184.14307	1.2
209.11871	9.8
227.12912	100.0
234.63644	0.7
293.28461	0.6
300.99982	1.8
329.78302	0.7
451.57047	0.7
601.09460	0.8
801.95099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6867
Annotation	Unknow
Peak:m/z	Relative Intensity
78.91917	1.4
79.46629	0.9
79.95752	2.1
80.96529	1.7
96.96020	12.7
134.92302	0.8
137.86217	0.8
163.11334	1.0
188.31595	1.0
229.48712	1.0
249.73903	1.0
314.68936	1.0
328.71689	0.9
366.12747	1.1
471.34814	89.1
472.35095	3.4
965.68573	100.0
966.68811	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	965.687
Annotation	Unknow
Peak:m/z	Relative Intensity
80.24314	3.4
187.94670	3.8
255.47992	3.9
271.75699	3.8
331.24152	3.9
471.34860	95.6
472.35297	5.6
965.68518	100.0
966.68213	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	965.6858
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	0.6
78.91894	1.6
79.95741	0.9
80.96506	0.9
96.96033	2.3
99.21896	0.4
107.55682	0.5
116.19180	0.4
126.38732	0.3
127.73399	0.4
171.10284	0.5
200.01796	0.5
209.11824	1.1
225.11263	0.5
227.12849	0.5
293.21121	0.5
294.29929	0.4
335.84006	0.5
423.32687	0.4
471.34818	100.0
472.35165	4.0
702.80432	0.4
854.34857	0.5
965.68573	89.4
966.68634	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	966.6609
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	2.4
83.05027	7.2
96.10849	2.6
96.96046	2.8
98.22705	4.1
123.77519	2.5
125.02459	3.1
129.56966	2.2
153.05585	3.6
164.24939	2.2
225.16103	2.7
229.68187	2.2
451.32971	2.7
502.43988	3.0
549.15405	2.6
662.24420	2.8
714.19049	2.7
904.66241	3.9
905.67206	27.2
906.67596	41.0
966.66229	100.0
967.67316	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	967.107
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57381	0.8
89.03977	0.5
95.01395	1.7
97.02924	0.5
99.00875	1.1
101.03999	0.5
107.01395	0.8
117.03448	1.3
119.05025	1.6
123.00913	3.5
124.01688	0.8
125.02486	5.1
129.03471	0.6
131.05045	1.1
132.33611	0.5
133.02956	1.7
135.04530	0.7
145.01399	1.7
145.02989	4.5
147.04526	3.3
157.03011	1.7
159.04544	2.3
161.02452	1.2
163.04008	3.5
169.01450	2.8
173.02458	5.2
175.04042	4.3
177.01949	1.8
179.03546	0.6
185.02469	6.6
187.04002	1.3
189.01944	2.3
189.21672	0.6
190.02701	1.6
191.03557	3.2
194.39227	0.5
199.00343	0.7
200.01001	0.9
201.01958	8.3
202.02600	0.9
203.03525	9.0
205.01587	0.6
205.03548	1.4
212.01196	0.7
213.01968	1.7
216.00644	0.7
217.01486	2.7
218.02150	0.7
219.03041	2.7
226.99878	1.2
228.00685	1.3
229.01443	19.8
230.02098	1.0
231.03011	6.6
242.99504	0.6
244.00290	0.8
245.00919	5.5
247.02620	2.5
249.04056	8.3
254.99257	0.6
257.00952	15.3
258.01688	5.7
261.00400	0.7
273.00458	4.1
274.01251	4.4
275.02002	52.6
276.02365	1.3
283.99716	4.1
291.01587	0.7
298.98468	1.4
299.99139	7.3
300.99921	100.0
302.00284	3.3
319.00983	1.0
633.07263	3.4
665.09570	0.6
828.13910	0.7
935.08026	13.1
936.07983	0.9
967.10748	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	967.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42789	0.9
89.04011	0.7
95.01400	1.1
101.04009	0.9
102.96546	0.7
107.01403	0.9
117.03497	1.8
119.04999	1.1
123.00919	3.1
125.02468	5.9
126.71111	0.9
128.66591	0.9
129.03482	1.2
140.33315	0.8
145.02966	4.6
147.04524	3.7
157.02962	2.4
159.04541	2.1
161.02472	2.8
163.00406	1.1
163.04036	2.6
169.01427	3.7
171.00815	1.0
173.02469	4.1
175.04108	4.0
177.01895	1.8
178.43793	0.9
185.02406	5.6
187.04057	1.0
189.01968	2.6
190.02791	2.2
191.03539	4.8
200.01172	0.9
201.01903	8.2
202.02602	1.3
203.03560	9.3
205.01439	1.3
213.01903	2.0
216.00629	1.1
217.01541	4.4
218.02223	1.3
219.03009	2.9
226.99837	1.8
228.00705	1.3
229.01436	18.5
230.01845	1.8
231.03046	6.4
245.00917	6.7
247.02545	4.0
248.03052	1.8
249.04034	10.5
250.04503	0.9
257.00937	16.1
258.01761	5.8
259.02347	1.1
261.00433	2.5
273.00439	4.2
274.01205	3.5
275.01987	56.1
276.02359	2.0
283.99734	4.2
285.00107	1.0
291.01437	1.7
298.98395	2.4
299.01941	1.0
299.99161	7.3
300.99921	100.0
302.00238	5.3
303.00812	2.0
319.01065	1.1
601.24310	0.8
633.07434	5.6
649.86688	0.9
765.05902	1.2
783.07318	1.2
838.08075	1.0
905.07788	1.1
935.08118	22.8
936.07666	1.1
967.10590	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	967.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00891	1.2
89.02466	0.5
95.75733	0.5
96.96028	0.7
101.02515	0.5
103.00489	10.0
103.01504	100.0
209.11897	1.7
255.23343	1.2
397.13663	1.3
840.57617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.6
71.01385	7.0
73.02934	1.6
78.47152	0.5
81.03468	0.4
81.13677	0.4
82.95412	1.3
83.01366	0.4
84.87305	0.4
84.95114	0.8
85.00449	2.3
85.02957	1.8
85.03422	0.3
87.00872	1.4
87.30107	0.4
89.02450	7.3
96.96045	2.2
97.02955	0.6
101.02462	4.7
111.54691	0.4
113.02464	2.7
113.36522	0.4
115.02404	0.4
116.92871	0.4
119.03507	1.7
125.02411	1.7
143.03532	0.8
147.90958	0.4
161.04570	1.5
168.23274	0.4
179.05640	2.2
195.13924	7.3
196.14633	1.0
205.12250	0.6
211.13364	0.6
223.13411	4.9
235.08264	1.7
256.13138	1.2
275.20154	4.4
287.07794	0.7
293.21249	100.0
294.21634	2.3
305.08649	0.8
323.09961	0.4
323.22577	0.4
379.12491	0.5
394.62918	0.4
397.13513	18.4
415.14554	9.8
538.86731	0.4
569.42175	1.5
673.34540	0.9
691.35693	2.4
931.27582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57818	1.6
77.24483	1.0
95.01402	2.9
105.03452	1.7
107.01454	1.2
111.00890	1.2
114.19779	1.0
117.03481	3.5
119.05013	2.3
121.02998	1.1
123.00908	4.9
124.01675	2.0
125.02437	8.5
129.03491	2.0
131.05080	1.0
133.03009	3.5
135.04556	1.6
143.01411	1.1
145.02977	11.7
147.04515	4.5
149.02460	1.5
151.00340	1.1
152.45573	0.9
154.83301	1.2
157.02948	3.4
159.00923	1.3
159.04512	2.1
161.02455	6.8
163.00392	2.2
163.03975	8.0
169.01445	7.7
171.00897	10.8
172.01685	1.7
173.02432	11.3
175.00333	1.2
175.04016	6.1
177.01959	2.7
179.03505	2.4
185.02434	5.0
187.00417	1.8
187.03951	1.5
189.01926	7.5
190.02698	3.1
191.03529	11.5
199.00386	9.2
200.01102	2.5
201.01956	13.4
203.03529	8.0
205.01398	1.9
213.01859	1.2
214.99959	1.6
216.00624	1.4
217.01364	9.4
218.02284	1.7
219.02956	5.8
221.04597	1.4
226.99931	14.8
228.00650	1.8
229.01411	20.5
230.02119	2.3
231.03021	7.8
233.00922	1.4
242.99438	2.6
243.02951	1.1
245.00905	16.4
246.01642	1.7
246.98798	1.0
247.02477	21.2
249.04025	10.3
254.99365	3.8
257.00885	12.1
258.01709	2.0
261.00439	3.9
263.01904	1.9
270.98853	4.3
273.00439	29.1
274.01135	2.8
275.01999	27.7
276.02213	2.5
277.03336	1.0
283.99582	2.7
285.00354	1.2
289.00015	1.5
291.01453	6.3
295.04730	1.2
298.98334	28.9
299.99072	6.4
300.99911	100.0
302.00217	4.1
303.00552	1.2
313.05655	1.2
316.99472	3.4
333.02908	1.1
453.06491	1.2
475.23676	0.9
475.30533	1.0
605.07782	2.7
613.04791	4.2
631.05518	1.9
633.07440	1.2
659.05426	1.2
729.03510	1.9
887.05823	3.2
897.04358	15.2
905.06665	1.4
907.08234	2.8
915.05627	11.8
933.05701	8.5
937.07776	1.1
951.07208	2.3
959.83832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	0.8
77.03965	0.6
89.02459	0.6
93.03457	4.4
95.01397	0.6
95.05032	1.0
107.01340	0.5
107.05041	0.9
108.02165	1.0
109.02972	2.2
121.02975	6.4
122.02900	0.9
122.03753	15.2
123.00937	0.9
123.04612	1.3
124.01667	0.8
125.02464	0.8
132.02177	1.3
132.36351	0.6
133.02951	1.7
134.03760	3.1
135.04553	0.7
136.01675	6.1
137.02449	6.0
138.03285	0.7
139.04088	0.7
145.02960	1.5
146.03748	1.9
147.04504	1.0
149.02455	28.6
149.06119	3.8
150.03239	100.0
151.00404	1.3
151.04022	15.4
152.01117	0.8
152.04796	2.6
159.04506	0.9
161.06107	1.3
162.03197	1.2
164.04823	7.5
165.05580	85.2
166.02719	6.8
166.05971	0.9
167.03522	1.2
169.01450	0.9
173.02391	0.5
175.04041	1.0
177.05612	3.3
178.02739	0.6
179.03503	1.0
179.07137	7.1
180.04294	6.9
181.05072	9.9
187.04037	1.1
193.05103	1.2
195.06636	38.2
204.04250	0.6
205.05019	3.0
207.06641	1.0
209.11876	1.2
219.06592	1.6
220.07477	2.6
282.05023	0.5
315.08582	1.1
329.10043	0.7
341.10007	0.7
369.13226	0.9
372.11740	0.7
382.37189	0.6
387.14413	1.6
402.13138	1.5
415.64523	0.6
416.14285	0.9
417.15530	7.1
534.18079	0.7
535.15796	1.3
549.17371	0.8
550.18048	1.7
551.19025	1.0
564.19482	2.2
565.20782	22.8
595.21747	3.4
612.21527	1.3
613.22931	11.1
619.21417	1.6
667.23138	1.6
713.25970	15.0
725.25702	0.8
743.26984	9.4
761.28241	16.5
762.27338	1.0
773.27295	2.5
791.29047	7.1
809.30286	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30214	2.8
71.01392	7.7
85.02957	1.5
87.00924	1.0
89.02455	8.8
89.02951	0.7
93.03458	4.3
95.01400	1.7
101.02453	3.5
105.03517	0.7
108.02192	0.7
109.02989	1.6
113.02459	3.0
119.03525	3.9
119.34856	0.5
121.02970	5.4
122.03748	17.7
123.00903	0.7
123.04549	2.0
124.01694	0.7
125.02502	1.0
129.42102	0.6
130.45555	0.6
133.03000	2.1
134.03784	1.2
135.04628	0.6
136.01685	7.3
137.02483	4.5
143.03488	0.9
145.02968	2.3
146.03751	2.5
147.04543	1.4
149.02461	23.8
149.06084	1.8
150.03241	100.0
151.00392	2.5
151.04039	15.2
152.04855	1.3
153.05513	0.6
161.02451	1.0
161.04619	0.7
161.06120	1.7
162.03244	9.0
164.04819	5.9
165.05583	97.9
166.02725	8.8
166.05978	0.9
167.03448	1.3
169.01306	0.6
175.03999	0.8
177.01958	1.0
177.05589	5.0
178.02643	0.8
179.03664	1.0
179.05626	2.7
179.07172	5.5
180.04294	7.6
181.05086	10.0
190.06458	0.7
191.03549	0.8
193.04944	0.6
195.06645	60.2
205.05099	2.3
206.05820	0.6
219.06714	1.0
220.07382	1.1
225.07571	0.6
235.09702	0.6
287.25189	0.7
300.99771	0.7
387.10318	1.2
387.14465	2.6
402.13046	1.7
417.15585	8.3
421.14743	1.1
431.07947	0.6
441.33688	0.6
535.16614	1.1
565.12769	1.0
565.20837	17.0
577.20581	1.6
595.21912	2.8
613.22864	11.5
667.24518	1.2
713.25287	2.6
725.26672	3.5
743.26862	2.2
761.28064	11.9
773.27710	2.4
791.29089	4.1
809.30371	15.3
936.51459	0.7
971.37482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22379	3.3
71.01389	9.2
73.02958	0.9
75.00896	0.7
79.50139	0.6
83.01373	0.6
85.02946	2.1
89.02451	11.2
93.03466	4.0
95.01418	1.0
96.96026	0.8
97.02923	0.7
101.02446	3.6
105.68353	0.6
109.02956	0.9
113.02489	3.3
119.03508	4.9
121.02954	5.1
122.03751	16.1
123.00902	1.6
123.04538	1.3
124.01678	1.2
125.02483	1.4
133.02985	2.0
134.03745	1.7
135.03058	0.7
135.04552	2.0
136.01659	7.7
137.02472	2.5
138.03183	0.9
141.44887	0.5
143.03493	0.9
145.02953	2.0
146.03770	1.6
147.04469	0.8
149.02458	19.4
149.06123	1.3
150.03238	100.0
151.00383	1.8
151.04019	10.5
153.05585	0.8
157.31680	0.5
160.91765	0.6
161.02438	2.2
161.04614	1.2
161.06117	1.0
162.03229	6.8
163.03914	0.8
164.04825	3.8
165.05580	90.6
166.02736	6.4
166.06030	0.8
169.01447	1.3
175.04001	0.9
177.01909	0.9
177.05600	4.3
179.03600	0.8
179.05612	3.6
179.07159	3.1
180.04277	7.1
181.05070	7.1
181.47667	0.6
191.03581	0.8
195.06636	62.1
202.02670	0.7
205.05109	1.5
213.61435	0.5
219.06612	1.5
275.01892	0.8
299.98929	0.8
300.99945	0.9
357.11566	0.7
372.11752	0.8
387.10284	0.6
387.14493	2.0
402.12936	1.3
409.30026	0.6
417.15613	7.3
556.59869	0.6
561.61090	0.6
565.20734	6.6
577.20331	1.9
595.21936	4.1
613.23004	9.5
667.24036	1.5
713.25720	2.8
725.25867	0.8
743.27002	4.4
761.28351	5.8
773.27747	2.4
775.05505	0.6
791.28418	1.9
809.30371	11.0
835.36273	0.8
967.95355	0.7
971.35425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36534	0.6
69.03448	1.8
71.01386	45.9
73.02953	72.2
75.00871	1.7
80.73947	0.6
83.01394	18.5
85.02958	13.8
87.00880	1.8
89.02451	26.2
95.01401	3.7
97.02951	1.7
99.00935	1.3
101.02452	67.9
102.23412	0.6
113.02461	27.3
119.03522	12.7
125.02474	3.3
131.03522	6.3
143.03516	8.1
147.03064	0.9
149.04575	17.3
155.03493	2.0
161.04562	29.2
177.09140	0.6
179.05630	2.0
203.05663	3.8
221.06680	15.1
247.17194	0.8
261.13434	1.1
263.16550	1.2
290.45456	0.6
301.18045	3.1
303.14539	9.6
319.19199	2.6
360.23990	0.7
427.28677	1.2
445.29584	3.0
463.30853	4.7
593.84711	0.7
607.34717	4.1
625.35962	100.0
626.36578	3.6
629.78406	0.7
643.72742	0.8
918.99054	0.7
991.13293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6057
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	0.9
69.20232	0.7
71.01386	0.9
71.05029	2.1
73.02951	1.3
83.05031	16.6
85.02948	1.8
87.00879	0.3
87.04533	0.3
87.08151	0.4
89.02428	0.2
95.05058	0.5
97.02944	0.5
97.06590	0.8
99.04539	0.6
101.06036	0.3
107.05045	0.5
109.06609	0.4
113.06100	0.4
115.07661	2.1
121.06555	0.4
123.04524	0.3
123.08206	1.3
125.06139	1.2
129.09215	0.2
129.89578	0.2
134.26790	0.2
135.04512	0.2
135.08270	0.2
141.09221	0.5
149.06041	0.4
159.10278	13.2
163.11343	0.3
173.09782	0.3
175.11307	0.3
177.09122	0.2
177.12872	0.2
185.09744	0.3
187.07477	0.2
191.10757	0.7
198.10416	0.2
199.11354	0.4
201.09254	0.2
201.12857	1.9
203.10857	0.2
203.14420	0.3
205.12318	0.2
213.09229	0.3
213.12859	0.6
214.09944	0.2
217.12346	0.5
219.13890	1.0
221.15511	0.2
225.12703	0.2
227.14496	1.5
227.16537	0.3
229.12347	3.0
229.48450	0.2
231.13918	0.8
233.15436	0.3
243.13921	1.2
245.15436	3.1
246.12628	0.3
247.13377	1.4
247.17027	0.2
249.14989	0.5
255.13911	0.2
257.17667	0.3
261.14957	0.5
265.14417	0.3
267.13901	0.2
271.17001	0.5
273.14993	0.5
275.16498	0.2
281.15384	0.5
283.13547	0.3
283.17050	0.4
284.14096	0.3
285.15192	0.2
289.18100	0.4
299.16531	1.6
301.14728	0.4
301.18167	0.9
311.20010	0.3
317.17636	2.1
319.19144	2.3
320.16318	0.4
335.18646	2.8
347.18872	0.2
361.23843	0.5
369.24341	0.3
373.23853	0.2
385.23825	0.4
387.25439	0.5
389.23529	1.4
403.24741	0.8
405.26559	0.6
407.20828	0.2
421.26077	0.2
441.26450	0.3
459.27557	0.9
477.28555	2.8
479.30215	10.6
480.30548	0.4
495.29675	100.0
496.30002	3.8
738.69714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76517	3.2
70.16875	2.7
70.69677	3.7
71.01409	5.9
86.21926	3.1
87.00888	19.6
88.98767	3.6
96.96053	3.8
104.56899	2.8
130.99883	3.9
146.03737	7.7
147.04541	3.9
159.04466	3.1
162.22227	2.7
175.04041	7.1
178.65697	3.1
190.06360	13.8
209.11697	3.4
211.13420	6.2
271.13397	11.8
292.83783	3.3
297.15033	6.7
315.16064	35.5
325.14252	9.4
333.17117	7.8
343.15634	5.8
360.50778	3.8
917.45294	5.9
977.47681	100.0
978.48077	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	977.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93224	1.0
69.03454	1.1
69.16355	4.9
85.97189	1.1
87.00877	17.9
96.42194	1.2
98.21845	2.2
101.02438	2.2
113.02479	1.1
122.03696	2.3
130.99831	4.1
133.01439	1.2
146.03702	5.7
147.04500	6.6
148.05286	1.2
149.02428	1.4
149.06052	2.0
150.03246	1.3
159.04523	3.1
161.06052	2.5
172.05371	1.8
173.06084	2.4
174.03267	1.4
175.04012	5.1
186.06870	2.0
187.03966	1.4
188.04747	2.7
189.05589	3.8
190.06346	14.2
195.13837	2.4
200.04771	4.9
209.11740	1.6
211.13397	3.7
223.13490	1.3
254.04401	1.1
259.13458	2.0
263.40707	1.1
271.13428	7.9
275.20172	1.0
285.14993	1.4
287.16504	2.4
289.14243	1.7
293.21271	3.8
297.14905	5.7
299.12949	2.6
300.13480	1.4
307.34683	1.1
313.14496	2.3
315.16037	29.9
323.16473	2.6
325.14465	7.9
333.17099	5.1
341.13776	1.5
341.17664	3.0
343.15338	3.5
357.16904	3.0
367.15262	1.3
397.13199	1.2
437.50357	1.1
485.32788	4.3
486.33191	5.0
487.34262	59.6
488.34641	71.6
489.35385	52.2
490.35953	21.8
491.36316	4.9
873.46039	1.6
899.44482	2.5
917.46124	2.1
924.84509	1.5
959.46527	2.6
977.47485	100.0
978.48401	6.0
1004.18604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.6
69.39693	0.6
69.40096	0.3
71.01380	0.3
71.05022	0.3
73.02975	0.2
81.03460	0.2
83.05022	0.7
84.02187	0.2
85.02956	3.2
95.05031	0.7
97.02955	0.4
97.06607	2.9
109.02956	0.2
110.03736	0.3
119.08664	0.2
123.08158	0.3
125.09731	1.0
127.11281	1.1
137.09753	0.8
155.10767	0.5
155.14471	0.3
163.11295	0.2
165.12871	0.8
167.10844	0.2
167.14404	0.7
171.10286	9.6
177.12895	0.9
181.12303	0.2
183.13911	3.2
185.11888	1.0
193.12314	1.2
194.10515	0.2
195.13791	0.2
197.11896	0.7
199.13422	0.4
201.11407	0.2
203.10765	0.2
209.11847	1.3
211.13417	17.6
212.13737	0.3
221.11835	3.7
227.12932	0.3
229.14458	13.5
230.14804	0.2
239.12883	2.0
247.20647	0.4
273.18774	0.3
291.19696	3.0
309.20621	0.9
327.21783	100.0
328.22079	1.9
397.47482	0.2
992.40887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42461	0.8
74.34268	0.7
93.03455	1.0
95.01398	4.3
96.95984	1.0
105.03422	0.8
107.01417	1.9
115.01861	1.0
116.04336	0.6
117.03487	4.8
119.05019	2.2
121.03046	0.9
123.00905	5.8
125.02455	9.0
129.03500	1.7
132.02222	1.2
133.02969	5.5
135.04539	1.0
137.96744	0.9
143.01447	3.0
145.02971	11.1
147.04459	3.7
148.29366	0.8
149.02463	2.0
155.01382	1.1
157.02946	7.4
158.03918	0.7
159.00914	0.9
159.04446	1.4
160.01485	0.9
161.02428	9.2
163.00330	2.0
163.04016	9.0
164.98285	1.4
165.01924	1.4
169.01460	4.5
171.00897	17.7
172.01672	3.8
173.02437	15.6
175.04047	4.4
177.01979	1.6
179.03557	1.3
185.02502	4.7
187.00392	2.4
188.01230	1.3
189.01955	10.6
190.02641	1.6
191.03490	8.7
199.00374	19.6
200.01164	3.6
201.01936	20.5
203.03519	6.4
205.01437	1.6
209.00795	1.0
211.00439	1.0
213.01889	1.3
214.02736	0.9
214.99898	2.0
216.00581	2.3
217.01422	13.7
219.02943	4.4
226.99869	34.3
228.00606	4.0
229.01425	30.3
230.02234	3.4
231.03008	10.7
242.99353	3.1
243.02954	1.4
244.00027	1.3
245.00900	19.7
246.01721	1.0
247.02490	15.1
249.04047	6.3
254.99327	8.5
257.00955	13.5
258.01624	1.4
259.99619	1.4
261.00400	4.9
263.01929	2.3
269.00870	0.9
270.98895	8.2
271.99741	1.6
273.00427	26.2
274.01120	2.3
275.01981	20.2
283.99661	2.9
288.99902	2.4
291.01328	3.6
298.98367	45.5
299.99149	12.5
300.99915	100.0
302.00232	2.3
307.02753	1.0
316.99353	3.8
335.00476	1.2
509.90149	0.9
595.04108	0.8
613.04816	2.2
641.75171	0.8
645.50122	0.8
729.02966	1.8
761.06281	1.1
887.06342	4.8
897.04297	27.0
898.04950	1.3
905.06396	1.8
915.05377	15.6
929.07233	3.9
933.06653	2.7
937.08569	1.3
947.08911	5.4
965.09802	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	983.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20116	2.4
71.01387	29.4
72.99305	0.9
83.31705	0.4
85.02513	0.4
85.02955	2.4
88.24751	0.5
89.02454	50.2
91.35984	0.4
98.21925	0.8
101.02454	3.5
113.02458	4.9
119.03492	1.6
124.92711	0.4
131.03520	9.0
145.02969	2.0
149.04573	18.8
195.10373	0.4
222.06880	0.8
223.09659	0.9
224.04803	1.8
227.10851	0.8
238.06351	2.4
239.07089	0.5
239.10794	1.1
241.08742	1.7
251.07045	1.2
252.04269	1.0
252.08002	0.8
253.08717	1.1
254.09616	0.9
255.10306	6.5
266.05960	2.8
267.10245	1.1
269.11823	2.0
270.12640	1.7
281.08209	0.4
283.09781	31.4
284.10083	0.6
294.08945	2.4
295.09747	3.8
296.10553	2.7
297.11337	1.4
298.12161	5.0
309.11304	1.8
310.08652	0.7
310.11887	2.1
311.09283	73.1
312.09604	1.2
325.10837	5.0
326.11618	62.0
327.11902	1.0
330.10962	0.5
341.13950	100.0
342.14359	1.8
359.14975	0.5
368.23569	0.5
491.19092	1.3
933.31622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	17.5
73.02968	2.7
83.01410	1.0
83.05032	1.3
85.00449	2.4
85.02960	4.5
85.03405	0.8
87.00883	4.6
89.02455	16.2
93.67075	0.8
95.01373	1.2
96.96013	6.0
97.02962	1.6
99.00851	1.0
101.02446	13.0
102.51877	0.8
103.01508	1.0
106.93335	0.9
111.08177	7.3
113.02466	7.8
113.09765	0.8
116.92824	1.0
119.03534	4.9
122.60480	0.8
125.02483	4.9
131.03514	0.9
137.09743	1.3
143.03519	3.2
161.04587	2.8
161.71068	0.9
167.10757	2.0
177.12898	1.7
179.05687	5.4
179.10789	0.9
179.14352	1.2
191.22046	1.1
195.13908	10.5
196.14642	1.4
197.11926	0.8
203.14320	1.2
205.12300	1.0
221.06604	1.4
223.13423	6.6
235.08247	4.6
247.20708	1.7
256.13208	1.8
261.10367	0.9
275.20218	5.5
291.19681	82.2
292.20001	1.3
293.21252	100.0
294.21524	1.7
305.08920	1.8
323.09958	1.0
397.13538	25.9
415.14542	14.3
689.34344	1.1
767.42487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.6434
Annotation	Unknow
Peak:m/z	Relative Intensity
74.43935	0.8
86.00921	0.8
87.00875	3.7
121.02945	1.0
135.09853	0.8
140.23463	0.9
211.13391	1.2
360.08313	1.0
390.31509	0.9
459.36566	1.0
485.32773	100.0
486.33044	2.1
993.64478	96.1
994.64813	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	995.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.8
79.01893	0.6
87.00883	100.0
95.01387	3.4
96.96007	1.0
97.03007	0.7
107.01384	0.8
109.02948	0.7
109.09084	0.5
111.00861	1.2
121.02957	1.3
122.03745	4.8
123.00903	12.1
124.01710	4.8
125.02449	6.0
129.43655	0.5
130.99878	53.6
132.00652	3.9
135.04521	2.4
136.98799	0.8
137.02457	1.8
139.00394	2.6
139.03996	1.0
140.01154	1.9
141.01942	1.8
147.04527	1.7
148.05261	1.2
149.02467	0.8
151.00401	1.7
163.04031	0.6
166.99925	4.5
168.00681	1.7
169.01454	6.0
175.58214	0.6
183.02916	1.0
187.07529	0.5
192.04309	1.0
195.02954	0.9
201.09225	2.2
219.10434	0.7
254.04327	73.7
255.04721	1.2
267.06693	0.6
271.60471	0.5
273.00275	0.6
275.02173	0.9
289.10782	0.7
300.99936	1.8
311.09293	0.9
326.11642	1.8
327.12418	4.7
333.09915	0.9
341.13867	0.7
351.10861	50.3
352.11221	0.9
463.10638	1.3
478.12726	20.0
479.12976	1.0
482.74268	0.5
493.15060	53.0
514.81244	0.5
568.44678	0.8
643.20355	75.4
644.20715	2.3
689.27466	0.6
729.90320	0.5
737.08392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
80.24292	0.4
109.47049	0.5
125.02429	0.5
129.87755	0.6
159.10294	0.5
163.74330	0.5
169.01413	0.7
199.04129	0.4
224.23495	0.4
271.02307	0.6
275.01846	0.7
300.99805	1.1
355.79416	0.5
407.74042	0.4
466.53146	2.7
467.03232	0.8
495.66110	0.5
515.27838	100.0
516.28088	2.3
552.17987	0.5
640.42560	0.6
979.60974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23555	0.5
71.01390	29.3
71.59833	0.5
73.02955	8.7
83.01409	3.3
83.05011	1.3
85.02959	15.3
87.00866	1.3
88.75926	0.5
89.02453	15.4
95.01401	3.0
99.00883	3.1
101.02451	21.3
113.02458	15.7
119.00495	0.6
119.03525	4.0
129.01895	0.8
130.63483	0.6
131.03554	1.1
143.03497	1.6
159.03035	2.7
159.10271	2.3
161.04573	10.9
169.01433	0.6
179.05583	1.3
269.10330	20.2
269.34372	0.6
300.99884	0.9
301.18073	1.3
311.11392	31.4
312.11572	0.8
319.19119	2.3
321.15567	2.9
355.10251	0.6
479.30191	2.8
623.34430	4.3
641.35468	100.0
642.35449	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	997.675
Annotation	Unknow
Peak:m/z	Relative Intensity
78.91895	0.8
78.95932	0.7
88.98830	0.5
96.96020	12.0
98.22799	0.8
147.32962	0.4
159.76601	0.5
209.11832	1.5
269.53986	0.6
334.18152	0.6
439.32062	0.6
487.34335	88.1
488.34821	3.5
489.35083	0.6
997.67529	100.0
998.67926	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	997.6749
Annotation	Unknow
Peak:m/z	Relative Intensity
71.96343	0.5
96.88306	0.4
96.96020	1.1
123.74848	0.4
125.07066	0.6
201.58473	0.4
207.24644	0.4
209.11852	0.8
212.79626	0.5
213.72928	0.5
393.31714	0.5
409.31494	2.1
421.31070	0.7
423.27170	0.5
487.34348	100.0
488.34753	3.9
525.97925	0.5
719.67603	0.5
997.67609	93.4
998.68365	7.0
END